#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 1.71 0.17 3.04 0.00 -2.07 -1.77 119.26 120.34 1jfj h ALA 2 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jfj h ALA 2 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jfj h ALA 2 CO 0.00 0.24 -0.08 1.49 0.00 0.00 0.00 179.25 180.89 1jfj h GLU 3 N 0.35 -0.23 -1.25 0.00 4.81 -2.02 -3.21 114.58 113.03 1jfj h GLU 3 Ca 0.09 0.02 0.37 0.00 -0.13 0.00 0.00 59.36 59.70 1jfj h GLU 3 Cb 0.08 0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.41 1jfj h GLU 3 CO -0.01 0.13 0.84 0.00 -0.73 0.00 0.00 179.01 179.24 1jfj h ALA 4 N -0.57 2.75 -0.61 2.92 0.00 -1.96 0.54 119.26 122.32 1jfj h ALA 4 Ca -0.02 0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1jfj h ALA 4 Cb 0.46 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.25 1jfj h ALA 4 CO 0.04 -1.23 -0.17 1.25 0.00 0.00 0.00 179.25 179.14 1jfj h LEU 5 N 0.17 -0.61 -1.70 0.00 6.46 -1.32 0.86 115.31 119.16 1jfj h LEU 5 Ca 0.70 0.19 0.07 0.00 -0.12 0.00 0.00 57.88 58.72 1jfj h LEU 5 Cb 2.24 0.40 -0.03 0.00 -0.73 0.00 0.00 40.66 42.54 1jfj h LEU 5 CO -0.25 -0.21 0.33 0.15 -0.62 0.00 0.00 178.44 177.84 1jfj h PHE 6 N -0.01 0.37 -0.04 1.25 3.57 -0.04 0.94 116.94 122.98 1jfj h PHE 6 Ca 0.29 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.61 1jfj h PHE 6 Cb 0.46 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1jfj h PHE 6 CO -0.51 0.19 -0.82 -0.22 -2.23 0.00 0.00 178.31 174.72 1jfj h LYS 7 N 0.37 0.35 0.66 1.11 3.11 0.51 -3.04 116.57 119.64 1jfj h LYS 7 Ca 0.22 -0.32 -0.03 0.00 -2.81 0.00 0.00 60.65 57.70 1jfj h LYS 7 Cb 0.39 0.08 0.01 0.00 -1.00 0.00 0.00 32.23 31.71 1jfj h LYS 7 CO -0.05 0.99 -0.32 1.49 -2.81 0.00 0.00 179.45 178.75 1jfj h GLU 8 N 0.22 -0.85 -1.32 1.90 4.81 0.19 -2.92 114.58 116.61 1jfj h GLU 8 Ca -0.05 0.06 0.40 0.00 -0.13 0.00 0.00 59.36 59.64 1jfj h GLU 8 Cb 1.42 0.19 -0.10 0.00 0.63 0.00 0.00 28.75 30.89 1jfj h GLU 8 CO 0.14 -0.56 0.89 0.97 -0.73 0.00 0.00 179.01 179.71 1jfj h ILE 9 N -1.23 0.26 -0.18 2.32 -0.00 -1.02 -3.05 117.51 114.62 1jfj h ILE 9 Ca -0.09 -0.04 -0.56 0.00 -0.00 0.00 0.00 64.86 64.16 1jfj h ILE 9 Cb 0.69 0.12 0.01 0.00 -0.00 0.00 0.00 36.82 37.64 1jfj h ILE 9 CO 0.15 0.02 1.98 -0.67 -0.00 0.00 0.00 178.15 179.64 1jfj n ASP 10 N -4.47 2.86 -0.30 2.19 2.03 -1.10 -4.69 116.55 113.07 1jfj n ASP 10 Ca 0.33 -2.70 0.12 0.00 0.52 0.00 0.00 54.79 53.05 1jfj n ASP 10 Cb 1.34 -1.35 0.29 0.00 -0.72 0.00 0.00 41.12 40.68 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 4.99 0.52 -0.80 5.18 2.07 -1.77 0.25 116.25 126.69 1jfj h VAL 11 Ca 0.37 -0.15 0.17 0.00 0.82 0.00 0.00 66.70 67.92 1jfj h VAL 11 Cb 0.75 0.05 -0.15 0.00 -1.52 0.00 0.00 31.29 30.43 1jfj h VAL 11 CO 1.72 0.08 -0.11 0.78 0.02 0.00 0.00 177.57 180.06 1jfj h ASN 12 N 0.43 -0.58 -1.76 0.57 4.21 -1.90 -3.46 115.58 113.10 1jfj h ASN 12 Ca 0.54 0.23 0.00 0.00 1.21 0.00 0.00 56.30 58.28 1jfj h ASN 12 Cb 0.98 0.44 0.00 0.00 -1.12 0.00 0.00 38.32 38.62 1jfj h ASN 12 CO -0.50 -0.24 0.00 0.61 -1.29 0.00 0.00 177.43 176.01 1jfj n GLY 13 N -1.48 0.75 0.03 2.83 0.00 0.89 -5.02 105.19 103.18 1jfj n GLY 13 Ca 0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.88 3.62 0.00 1.61 5.75 -1.26 -5.03 116.55 120.36 1jfj n ASP 14 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1jfj n ASP 14 Cb 0.33 0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 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 3.02 1.16 3.28 6.12 0.00 -1.26 -5.10 105.19 112.42 1jfj n GLY 15 Ca -0.10 0.00 -0.17 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 -2.00 1.70 0.21 4.61 0.00 -1.26 -3.36 121.76 121.66 1jfj s ALA 16 Ca 0.00 -1.83 0.04 0.00 0.00 0.00 0.00 51.96 50.17 1jfj s ALA 16 Cb 0.00 1.32 -0.02 0.00 0.00 0.00 0.00 23.12 24.42 1jfj s ALA 16 CO 0.00 -0.58 0.16 1.33 0.00 0.00 0.00 175.76 176.67 1jfj n VAL 17 N -0.50 0.00 -4.16 0.00 0.24 0.26 -4.84 118.33 109.33 1jfj n VAL 17 Ca 0.03 -1.47 -0.10 0.00 -2.04 0.00 0.00 64.34 60.76 1jfj n VAL 17 Cb 0.64 0.70 -0.10 0.00 -1.47 0.00 0.00 33.84 33.61 1jfj n VAL 17 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jfj s SER 18 N -2.44 0.59 0.23 -1.34 1.04 -1.26 -1.36 113.70 109.17 1jfj s SER 18 Ca 0.22 -1.15 -0.10 0.00 0.48 0.00 0.00 55.95 55.40 1jfj s SER 18 Cb 0.01 0.23 0.34 0.00 0.10 0.00 0.00 66.02 66.70 1jfj s SER 18 CO 0.16 -0.65 1.62 0.22 0.98 0.00 0.00 173.24 175.56 1jfj h TYR 19 N 2.89 -0.25 -0.59 5.02 3.20 -1.65 1.48 116.97 127.08 1jfj h TYR 19 Ca -0.35 0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.49 1jfj h TYR 19 Cb 1.19 0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.66 1jfj h TYR 19 CO 0.48 -0.28 0.04 1.49 -1.64 0.00 0.00 178.16 178.25 1jfj h GLU 20 N 0.04 1.02 -0.20 1.82 4.81 -1.97 -1.65 114.58 118.45 1jfj h GLU 20 Ca 0.37 -0.31 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1jfj h GLU 20 Cb 0.60 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 1jfj h GLU 20 CO -0.70 0.99 -0.23 1.49 -0.73 0.00 0.00 179.01 179.82 1jfj h GLU 21 N 0.92 0.36 0.57 1.92 4.81 -0.91 0.16 114.58 122.40 1jfj h GLU 21 Ca 0.17 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1jfj h GLU 21 Cb 0.50 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.86 1jfj h GLU 21 CO 0.02 0.57 -0.27 0.28 -0.73 0.00 0.00 179.01 178.88 1jfj h VAL 22 N 0.32 0.29 0.00 0.32 2.07 0.23 0.17 116.25 119.65 1jfj h VAL 22 Ca 0.05 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1jfj h VAL 22 Cb 0.59 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1jfj h VAL 22 CO 0.04 0.04 -0.05 0.07 0.02 0.00 0.00 177.57 177.69 1jfj h LYS 23 N -1.03 0.00 -0.45 1.57 2.10 -1.24 -0.97 116.57 116.54 1jfj h LYS 23 Ca -0.08 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.51 1jfj h LYS 23 Cb 0.65 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.96 1jfj h LYS 23 CO 0.13 0.05 0.06 0.00 -2.00 0.00 0.00 179.45 177.69 1jfj h ALA 24 N 1.95 0.60 -0.20 0.07 0.00 -0.44 0.11 119.26 121.36 1jfj h ALA 24 Ca -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1jfj h ALA 24 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1jfj h ALA 24 CO 0.01 0.34 0.04 0.35 0.00 0.00 0.00 179.25 180.00 1jfj h PHE 25 N 0.62 0.34 -0.66 0.00 3.57 0.30 -2.77 116.94 118.34 1jfj h PHE 25 Ca 0.14 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1jfj h PHE 25 Cb 0.41 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1jfj h PHE 25 CO 0.03 0.45 0.32 0.28 -2.23 0.00 0.00 178.31 177.15 1jfj h VAL 26 N 0.13 1.21 -1.06 1.41 2.07 -1.17 -1.26 116.25 117.59 1jfj h VAL 26 Ca 0.06 -0.59 0.31 0.00 0.82 0.00 0.00 66.70 67.30 1jfj h VAL 26 Cb 0.28 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1jfj h VAL 26 CO 0.00 0.25 0.78 -1.28 0.02 0.00 0.00 177.57 177.34 1jfj h SER 27 N 0.92 0.00 0.00 0.57 0.87 -0.48 1.47 113.55 116.91 1jfj h SER 27 Ca 0.23 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 1jfj h SER 27 Cb 0.09 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1jfj h SER 27 CO -0.03 0.00 -0.00 0.50 -0.53 0.00 0.00 176.83 176.77 1jfj h LYS 28 N 0.00 0.00 0.00 2.24 1.63 -1.21 -3.24 116.57 115.98 1jfj h LYS 28 Ca 0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 1jfj h LYS 28 Cb 2.07 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.70 1jfj h LYS 28 CO -0.01 0.00 0.00 1.63 -3.45 0.00 0.00 179.45 177.63 1jfj n LYS 29 N -4.48 0.00 -1.69 1.90 4.76 0.50 -5.02 118.16 114.13 1jfj n LYS 29 Ca -0.03 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1jfj n LYS 29 Cb 0.09 -0.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.60 1jfj n LYS 29 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1jfj n ARG 30 N -0.61 2.13 -2.70 1.97 5.12 -1.18 -5.09 116.66 116.30 1jfj n ARG 30 Ca 0.00 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.86 1jfj n ARG 30 Cb 0.00 0.00 0.10 0.00 -1.16 0.00 0.00 32.46 31.40 1jfj n ARG 30 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jfj n ALA 31 N -3.00 2.04 -0.61 7.54 0.00 -1.26 -4.32 120.51 120.90 1jfj n ALA 31 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.73 1jfj n ALA 31 Cb 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1jfj n ALA 31 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1jfj n ILE 32 N -0.65 0.00 -2.68 0.00 5.41 -1.26 -4.89 119.36 115.28 1jfj n ILE 32 Ca -0.02 0.19 -0.03 0.00 1.00 0.00 0.00 62.75 63.89 1jfj n ILE 32 Cb 0.85 -1.19 0.05 0.00 -0.71 0.00 0.00 39.64 38.63 1jfj n ILE 32 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1jfj n LYS 33 N -1.89 1.81 -0.10 0.38 4.81 -1.26 -4.85 118.16 117.06 1jfj n LYS 33 Ca 0.00 -3.45 -0.05 0.00 -0.87 0.00 0.00 58.31 53.94 1jfj n LYS 33 Cb 0.00 -1.54 0.15 0.00 0.02 0.00 0.00 35.03 33.66 1jfj n LYS 33 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1jfj h ASN 34 N 2.38 0.75 0.12 3.14 -1.07 -1.91 0.44 115.58 119.43 1jfj h ASN 34 Ca -0.08 -0.20 0.00 0.00 0.07 0.00 0.00 56.30 56.09 1jfj h ASN 34 Cb 1.36 -0.20 -0.01 0.00 -2.07 0.00 0.00 38.32 37.40 1jfj h ASN 34 CO 0.24 0.85 -0.11 1.05 0.07 0.00 0.00 177.43 179.53 1jfj h GLU 35 N 0.72 -0.24 0.45 4.14 -0.00 -1.89 0.48 114.58 118.24 1jfj h GLU 35 Ca 0.13 0.02 -0.02 0.00 -0.00 0.00 0.00 59.36 59.49 1jfj h GLU 35 Cb 0.50 0.05 0.00 0.00 -0.00 0.00 0.00 28.75 29.31 1jfj h GLU 35 CO 0.03 -0.16 -0.21 0.37 -0.00 0.00 0.00 179.01 179.03 1jfj h GLN 36 N -0.24 -0.58 -0.63 1.06 4.15 -1.90 -0.66 115.11 116.30 1jfj h GLN 36 Ca 0.00 0.04 0.10 0.00 0.77 0.00 0.00 58.65 59.56 1jfj h GLN 36 Cb 0.23 0.13 -0.11 0.00 0.21 0.00 0.00 27.48 27.94 1jfj h GLN 36 CO -0.02 -0.39 -0.39 1.25 -1.93 0.00 0.00 178.83 177.35 1jfj h LEU 37 N -1.11 -1.36 -0.75 -2.39 6.46 -0.18 0.72 115.31 116.71 1jfj h LEU 37 Ca -0.06 0.25 0.07 0.00 -0.12 0.00 0.00 57.88 58.02 1jfj h LEU 37 Cb 0.46 0.65 -0.06 0.00 -0.73 0.00 0.00 40.66 40.97 1jfj h LEU 37 CO 0.10 -0.32 0.42 0.25 -0.62 0.00 0.00 178.44 178.27 1jfj h LEU 38 N -0.18 0.61 -1.79 2.25 7.12 -0.12 0.15 115.31 123.35 1jfj h LEU 38 Ca 0.22 0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.26 1jfj h LEU 38 Cb 0.56 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.60 1jfj h LEU 38 CO -0.72 0.37 0.07 -0.61 -0.13 0.00 0.00 178.44 177.43 1jfj h GLN 39 N 0.74 0.20 0.53 1.25 4.15 0.17 0.39 115.11 122.54 1jfj h GLN 39 Ca 0.35 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.72 1jfj h GLN 39 Cb 0.26 -0.04 0.01 0.00 0.21 0.00 0.00 27.48 27.91 1jfj h GLN 39 CO -0.21 0.16 -0.25 1.25 -1.93 0.00 0.00 178.83 177.85 1jfj h LEU 40 N 0.21 -0.60 0.04 -2.39 7.12 0.29 -1.31 115.31 118.68 1jfj h LEU 40 Ca 0.06 0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.11 1jfj h LEU 40 Cb 0.02 0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.27 1jfj h LEU 40 CO -0.01 -0.23 -0.25 -0.29 -0.13 0.00 0.00 178.44 177.53 1jfj h ILE 41 N -1.11 0.43 -0.36 4.05 6.09 -0.99 -0.39 117.51 125.23 1jfj h ILE 41 Ca -0.07 0.00 0.05 0.00 -1.37 0.00 0.00 64.86 63.46 1jfj h ILE 41 Cb 0.54 0.43 -0.08 0.00 0.47 0.00 0.00 36.82 38.18 1jfj h ILE 41 CO 0.12 0.00 -0.56 0.15 -3.07 0.00 0.00 178.15 174.79 1jfj h PHE 42 N -0.42 -1.69 -1.00 2.19 3.04 -0.31 0.58 116.94 119.32 1jfj h PHE 42 Ca 0.05 0.08 0.21 0.00 3.98 0.00 0.00 57.97 62.29 1jfj h PHE 42 Cb 0.48 0.79 -0.11 0.00 2.56 0.00 0.00 35.95 39.67 1jfj h PHE 42 CO -0.27 -0.50 0.61 0.87 -2.02 0.00 0.00 178.31 177.00 1jfj h LYS 43 N -0.43 0.67 -0.63 1.11 1.57 -0.93 1.66 116.57 119.59 1jfj h LYS 43 Ca 0.07 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1jfj h LYS 43 Cb 0.61 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1jfj h LYS 43 CO -0.57 0.44 0.18 0.77 -0.57 0.00 0.00 179.45 179.70 1jfj h SER 44 N 0.69 0.93 0.27 0.86 0.02 0.13 -3.26 113.55 113.19 1jfj h SER 44 Ca 0.59 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1jfj h SER 44 Cb 1.01 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1jfj h SER 44 CO -0.38 0.90 -0.13 0.40 -1.14 0.00 0.00 176.83 176.47 1jfj h ILE 45 N 0.91 0.00 -0.46 3.27 2.04 0.43 -3.43 117.51 120.27 1jfj h ILE 45 Ca 0.20 -0.70 -0.58 0.00 1.00 0.00 0.00 64.86 64.78 1jfj h ILE 45 Cb 0.31 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 1jfj h ILE 45 CO -0.00 0.00 1.58 -0.67 0.00 0.00 0.00 178.15 179.06 1jfj n ASP 46 N -4.92 1.05 -0.13 1.72 2.03 0.52 -4.72 116.55 112.11 1jfj n ASP 46 Ca -0.05 0.22 -0.22 0.00 0.52 0.00 0.00 54.79 55.27 1jfj n ASP 46 Cb 0.14 -1.08 -0.11 0.00 -0.72 0.00 0.00 41.12 39.34 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 10.60 1.34 0.09 -1.67 0.00 -1.26 -4.60 120.51 125.01 1jfj n ALA 47 Ca 0.55 -1.08 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 1jfj n ALA 47 Cb 0.13 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.31 -0.26 0.00 0.00 3.04 -1.98 -3.48 116.42 113.42 1jfj h ASP 48 Ca -0.61 -0.24 0.00 0.00 -3.24 0.00 0.00 57.03 52.94 1jfj h ASP 48 Cb 1.81 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 40.17 1jfj h ASP 48 CO -0.19 0.25 0.00 0.61 -2.04 0.00 0.00 179.24 177.87 1jfj n GLY 49 N 0.50 1.91 0.21 7.15 0.00 -1.26 -5.00 105.19 108.69 1jfj n GLY 49 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.04 1jfj n GLY 49 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1jfj h ASN 50 N 0.00 0.00 -0.54 1.61 7.08 -1.95 -3.46 115.58 118.31 1jfj h ASN 50 Ca 0.00 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 53.00 1jfj h ASN 50 Cb 0.00 0.00 -0.08 0.00 -2.08 0.00 0.00 38.32 36.16 1jfj h ASN 50 CO 0.00 0.18 -0.20 0.61 -2.08 0.00 0.00 177.43 175.94 1jfj n GLY 51 N 0.78 1.16 3.30 9.14 0.00 -1.26 -4.99 105.19 113.31 1jfj n GLY 51 Ca 0.02 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.95 1.23 0.02 1.61 8.01 -1.26 -1.53 118.70 123.83 1jfj s GLU 52 Ca 0.00 -1.59 -0.03 0.00 0.01 0.00 0.00 54.97 53.37 1jfj s GLU 52 Cb 0.00 -0.63 -0.02 0.00 -4.31 0.00 0.00 34.13 29.17 1jfj s GLU 52 CO 0.00 -0.02 0.03 0.42 0.01 0.00 0.00 175.26 175.69 1jfj s ILE 53 N -3.38 0.12 0.32 -1.63 1.01 -0.46 -4.94 121.20 112.24 1jfj s ILE 53 Ca 0.24 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1jfj s ILE 53 Cb 0.04 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.92 1jfj s ILE 53 CO 0.06 -0.56 0.00 -0.90 0.00 0.00 0.00 174.94 173.53 1jfj n ASP 54 N 1.20 2.89 -0.25 3.58 5.68 -1.26 0.91 116.55 129.30 1jfj n ASP 54 Ca -0.21 -2.40 -0.02 0.00 -0.50 0.00 0.00 54.79 51.66 1jfj n ASP 54 Cb 0.57 0.22 0.09 0.00 -1.14 0.00 0.00 41.12 40.86 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 0.76 0.64 0.11 3.07 -1.97 0.95 115.11 118.68 1jfj h GLN 55 Ca -0.27 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.40 1jfj h GLN 55 Cb 0.80 -0.17 0.01 0.00 0.08 0.00 0.00 27.48 28.20 1jfj h GLN 55 CO 0.44 0.51 -0.31 -0.91 0.09 0.00 0.00 178.83 178.65 1jfj h ASN 56 N 0.79 -0.72 -0.81 0.06 2.35 -1.96 -0.26 115.58 115.03 1jfj h ASN 56 Ca 0.30 0.02 0.19 0.00 -0.55 0.00 0.00 56.30 56.26 1jfj h ASN 56 Cb 0.11 0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 1jfj h ASN 56 CO -0.15 -0.39 0.55 -0.33 -1.65 0.00 0.00 177.43 175.46 1jfj h GLU 57 N -1.11 0.30 0.04 0.81 5.08 -1.91 -0.63 114.58 117.14 1jfj h GLU 57 Ca -0.09 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1jfj h GLU 57 Cb 0.65 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1jfj h GLU 57 CO 0.14 0.20 -0.02 0.35 -1.00 0.00 0.00 179.01 178.68 1jfj h PHE 58 N 0.31 -0.04 -0.97 4.33 3.57 0.11 0.40 116.94 124.65 1jfj h PHE 58 Ca 0.40 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.01 1jfj h PHE 58 Cb 1.12 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.80 1jfj h PHE 58 CO -0.00 0.28 0.62 0.00 -2.23 0.00 0.00 178.31 176.97 1jfj h ALA 59 N 0.58 1.57 -0.00 2.41 0.00 0.42 0.26 119.26 124.50 1jfj h ALA 59 Ca -0.00 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1jfj h ALA 59 Cb 0.34 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1jfj h ALA 59 CO 0.01 0.21 -0.76 0.87 0.00 0.00 0.00 179.25 179.58 1jfj h LYS 60 N 0.96 0.01 -0.52 0.00 1.79 -1.09 -3.11 116.57 114.60 1jfj h LYS 60 Ca 0.46 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.91 1jfj h LYS 60 Cb 0.46 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.09 1jfj h LYS 60 CO -0.23 0.76 0.28 0.35 -1.08 0.00 0.00 179.45 179.53 1jfj h PHE 61 N 0.00 0.73 -0.64 -1.35 3.04 0.32 -2.54 116.94 116.50 1jfj h PHE 61 Ca -0.01 -0.02 -0.04 0.00 3.98 0.00 0.00 57.97 61.88 1jfj h PHE 61 Cb 1.34 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 39.59 1jfj h PHE 61 CO 0.00 0.54 0.25 -0.92 -2.02 0.00 0.00 178.31 176.16 1jfj h TYR 62 N 0.70 0.95 -0.73 0.41 3.20 -1.11 -2.70 116.97 117.68 1jfj h TYR 62 Ca 0.18 -0.06 0.15 0.00 3.14 0.00 0.00 58.73 62.15 1jfj h TYR 62 Cb 0.06 -0.29 -0.10 0.00 1.54 0.00 0.00 36.73 37.94 1jfj h TYR 62 CO -0.01 0.73 0.21 0.78 -1.64 0.00 0.00 178.16 178.23 1jfj h GLY 63 N 1.02 1.05 -5.32 1.82 0.00 -1.39 -2.68 103.07 97.56 1jfj h GLY 63 Ca 0.22 -0.07 -0.37 0.00 0.00 0.00 0.00 47.33 47.10 1jfj h GLY 63 CO -0.02 -0.17 2.47 1.44 0.00 0.00 0.00 176.54 180.26 1jfj n SER 64 N -5.11 5.02 0.04 0.19 7.64 -1.02 -4.63 113.62 115.75 1jfj n SER 64 Ca 0.14 -2.32 -0.08 0.00 1.01 0.00 0.00 58.87 57.63 1jfj n SER 64 Cb 0.44 -1.10 -0.05 0.00 -1.01 0.00 0.00 64.21 62.49 1jfj n SER 64 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1jfj h ILE 65 N 3.32 0.00 -2.90 0.44 5.03 -1.70 -3.42 117.51 118.28 1jfj h ILE 65 Ca 0.49 0.00 -0.43 0.00 -0.12 0.00 0.00 64.86 64.80 1jfj h ILE 65 Cb 0.23 0.00 0.22 0.00 -3.03 0.00 0.00 36.82 34.24 1jfj h ILE 65 CO 1.37 0.00 -0.28 0.00 -0.68 0.00 0.00 178.15 178.57 1jfj n GLN 66 N -3.94 -2.66 0.00 2.37 6.02 -1.26 -5.04 117.38 112.87 1jfj n GLN 66 Ca -0.04 -0.76 0.00 0.00 -0.01 0.00 0.00 57.00 56.19 1jfj n GLN 66 Cb 0.20 -2.02 0.00 0.00 1.02 0.00 0.00 30.24 29.43 1jfj n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jfj n GLY 67 N 1.38 4.56 3.68 1.08 0.00 -1.26 -5.01 105.19 109.62 1jfj n GLY 67 Ca 0.03 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1jfj n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jfj s GLN 68 N 4.40 1.68 0.17 1.61 0.74 -1.26 -5.09 119.66 121.90 1jfj s GLN 68 Ca 0.00 -1.21 -0.24 0.00 0.05 0.00 0.00 55.36 53.97 1jfj s GLN 68 Cb 0.00 0.52 0.07 0.00 1.10 0.00 0.00 33.01 34.70 1jfj s GLN 68 CO 0.00 -0.73 1.01 0.34 -0.55 0.00 0.00 175.29 175.36 1jfj s ASP 69 N -3.00 -0.08 -0.29 6.67 2.15 -1.26 -5.00 116.67 115.86 1jfj s ASP 69 Ca 0.19 -0.54 -0.04 0.00 0.43 0.00 0.00 52.55 52.59 1jfj s ASP 69 Cb -0.03 0.49 0.01 0.00 -0.30 0.00 0.00 42.92 43.09 1jfj s ASP 69 CO 0.09 -0.94 2.77 0.18 -0.17 0.00 0.00 175.17 177.10 1jfj n LEU 70 N -0.58 6.10 -0.11 -1.34 4.77 -1.26 -4.55 117.00 120.03 1jfj n LEU 70 Ca -0.05 -3.58 0.25 0.00 -0.03 0.00 0.00 56.01 52.60 1jfj n LEU 70 Cb 0.60 -1.23 0.70 0.00 -2.33 0.00 0.00 43.42 41.15 1jfj n LEU 70 CO 0.17 1.57 1.23 0.77 -1.33 0.00 0.00 177.39 179.80 1jfj h SER 71 N 2.55 0.03 -0.64 -1.43 4.64 -1.99 0.56 113.55 117.27 1jfj h SER 71 Ca 0.30 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.69 1jfj h SER 71 Cb 0.97 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.02 1jfj h SER 71 CO 0.64 0.01 0.42 0.44 -0.87 0.00 0.00 176.83 177.47 1jfj h ASP 72 N 0.03 0.51 0.53 4.97 3.32 -1.98 1.29 116.42 125.09 1jfj h ASP 72 Ca 0.36 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.23 1jfj h ASP 72 Cb 1.40 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1jfj h ASP 72 CO -0.01 0.32 -0.81 0.44 -1.72 0.00 0.00 179.24 177.46 1jfj h ASP 73 N 0.58 0.25 0.13 6.45 5.19 -0.26 -0.13 116.42 128.64 1jfj h ASP 73 Ca 0.28 -0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.50 1jfj h ASP 73 Cb 0.36 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.79 1jfj h ASP 73 CO -0.09 0.96 -0.06 0.50 -3.12 0.00 0.00 179.24 177.43 1jfj h LYS 74 N 0.12 -0.17 -0.74 3.56 3.64 -0.46 -2.04 116.57 120.49 1jfj h LYS 74 Ca -0.03 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1jfj h LYS 74 Cb 1.41 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.22 1jfj h LYS 74 CO 0.12 0.28 0.49 0.97 -2.27 0.00 0.00 179.45 179.04 1jfj h ILE 75 N -0.90 1.09 0.53 2.00 6.09 0.14 0.39 117.51 126.85 1jfj h ILE 75 Ca -0.02 -0.30 -0.03 0.00 -1.37 0.00 0.00 64.86 63.15 1jfj h ILE 75 Cb 0.52 0.15 0.01 0.00 0.47 0.00 0.00 36.82 37.97 1jfj h ILE 75 CO 0.03 0.16 -0.25 1.23 -3.07 0.00 0.00 178.15 176.24 1jfj h GLY 76 N 0.87 -0.74 1.61 8.18 0.00 -1.05 0.10 103.07 112.05 1jfj h GLY 76 Ca 0.30 0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.86 1jfj h GLY 76 CO -0.09 -0.27 0.04 -2.00 0.00 0.00 0.00 176.54 174.22 1jfj h LEU 77 N -0.77 0.46 -0.43 3.11 6.46 -0.94 -1.33 115.31 121.88 1jfj h LEU 77 Ca -0.07 -0.07 0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1jfj h LEU 77 Cb 0.57 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1jfj h LEU 77 CO 0.12 0.50 0.28 0.50 -0.62 0.00 0.00 178.44 179.21 1jfj h LYS 78 N 0.48 0.55 0.28 1.25 3.64 0.09 0.80 116.57 123.66 1jfj h LYS 78 Ca 0.11 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1jfj h LYS 78 Cb 0.26 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1jfj h LYS 78 CO 0.00 0.36 -0.13 0.28 -2.27 0.00 0.00 179.45 177.69 1jfj h VAL 79 N 0.56 0.76 -0.45 2.00 2.07 -0.33 0.58 116.25 121.44 1jfj h VAL 79 Ca 0.16 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.50 1jfj h VAL 79 Cb -0.05 0.91 -0.10 0.00 -1.52 0.00 0.00 31.29 30.53 1jfj h VAL 79 CO -0.04 0.06 -0.29 -0.07 0.02 0.00 0.00 177.57 177.24 1jfj h LEU 80 N -0.52 -0.99 -1.52 2.57 4.07 -1.00 0.44 115.31 118.36 1jfj h LEU 80 Ca -0.04 0.19 0.02 0.00 0.08 0.00 0.00 57.88 58.14 1jfj h LEU 80 Cb 0.38 0.49 -0.03 0.00 1.08 0.00 0.00 40.66 42.58 1jfj h LEU 80 CO 0.06 -0.30 0.35 0.22 -1.08 0.00 0.00 178.44 177.69 1jfj h TYR 81 N -0.20 0.60 -0.24 1.13 5.03 -0.70 0.25 116.97 122.85 1jfj h TYR 81 Ca 0.20 0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.46 1jfj h TYR 81 Cb 0.52 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 1jfj h TYR 81 CO -0.54 0.36 -0.15 -0.22 -1.32 0.00 0.00 178.16 176.30 1jfj h LYS 82 N 0.64 0.40 -0.03 1.82 3.11 0.21 0.36 116.57 123.08 1jfj h LYS 82 Ca 0.20 -0.11 -0.21 0.00 -2.81 0.00 0.00 60.65 57.72 1jfj h LYS 82 Cb 0.03 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.22 1jfj h LYS 82 CO -0.05 0.55 -0.86 1.25 -2.81 0.00 0.00 179.45 177.53 1jfj h LEU 83 N 0.37 0.51 0.29 5.20 5.85 0.12 -3.33 115.31 124.31 1jfj h LEU 83 Ca 0.07 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1jfj h LEU 83 Cb 0.48 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1jfj h LEU 83 CO 0.03 1.16 -0.14 0.24 -0.34 0.00 0.00 178.44 179.39 1jfj h MET 84 N 0.25 -0.37 -3.61 1.25 2.86 -0.42 -3.32 114.93 111.56 1jfj h MET 84 Ca -0.06 0.03 -0.47 0.00 -2.06 0.00 0.00 59.70 57.14 1jfj h MET 84 Cb 1.47 0.08 0.02 0.00 0.06 0.00 0.00 31.60 33.24 1jfj h MET 84 CO 0.15 -0.04 2.68 -0.25 1.06 0.00 0.00 176.91 180.51 1jfj n ASP 85 N -5.05 4.78 0.00 1.22 8.00 0.12 -4.42 116.55 121.20 1jfj n ASP 85 Ca -0.08 -2.43 0.12 0.00 0.71 0.00 0.00 54.79 53.11 1jfj n ASP 85 Cb 0.25 -1.16 0.57 0.00 -0.02 0.00 0.00 41.12 40.77 1jfj n ASP 85 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1jfj n VAL 86 N 4.51 0.28 -0.02 2.53 3.14 -1.25 -2.90 118.33 124.62 1jfj n VAL 86 Ca 0.49 0.07 -0.22 0.00 -2.96 0.00 0.00 64.34 61.72 1jfj n VAL 86 Cb 0.20 -0.67 -0.13 0.00 -1.06 0.00 0.00 33.84 32.17 1jfj n VAL 86 CO 0.00 0.00 0.00 -2.24 -6.46 0.00 0.00 176.83 168.13 1jfj h ASP 87 N 0.00 0.30 -0.44 6.55 2.03 -1.93 -3.50 116.42 119.43 1jfj h ASP 87 Ca 0.00 -0.82 0.00 0.00 -0.73 0.00 0.00 57.03 55.48 1jfj h ASP 87 Cb 0.28 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 1jfj h ASP 87 CO 0.00 1.73 0.00 0.61 -1.03 0.00 0.00 179.24 180.55 1jfj n GLY 88 N 1.80 0.76 0.12 7.15 0.00 -1.14 -5.06 105.19 108.83 1jfj n GLY 88 Ca -0.31 -0.51 -0.24 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 -0.22 1.94 0.00 1.61 8.00 -1.26 -5.04 116.55 121.58 1jfj n ASP 89 Ca 0.00 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.86 1jfj n ASP 89 Cb 0.08 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.36 1jfj n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jfj n GLY 90 N 1.32 3.11 3.42 0.44 0.00 -1.26 -5.07 105.19 107.16 1jfj n GLY 90 Ca -0.43 -1.14 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 1.52 0.43 1.61 -2.85 -1.26 -3.72 119.74 115.47 1jfj s LYS 91 Ca 0.00 -1.54 0.06 0.00 -1.00 0.00 0.00 55.97 53.49 1jfj s LYS 91 Cb 0.00 -1.82 -0.07 0.00 -2.06 0.00 0.00 37.83 33.88 1jfj s LYS 91 CO 0.00 0.39 0.01 -0.51 0.10 0.00 0.00 175.35 175.34 1jfj s LEU 92 N -2.75 2.80 0.39 2.77 2.01 0.14 -4.97 118.68 119.07 1jfj s LEU 92 Ca 0.21 -1.41 0.04 0.00 0.01 0.00 0.00 54.13 52.98 1jfj s LEU 92 Cb -0.08 -0.88 -0.03 0.00 0.01 0.00 0.00 46.19 45.21 1jfj s LEU 92 CO 0.10 -0.51 0.10 0.42 1.01 0.00 0.00 176.35 177.47 1jfj s THR 93 N -2.73 0.77 0.17 5.49 -4.23 -1.26 0.03 115.64 113.87 1jfj s THR 93 Ca 0.31 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.74 1jfj s THR 93 Cb 0.09 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 1jfj s THR 93 CO 0.16 0.00 1.50 0.50 -0.54 0.00 0.00 174.62 176.24 1jfj h LYS 94 N 1.84 0.81 -0.15 3.99 3.11 -1.92 0.45 116.57 124.70 1jfj h LYS 94 Ca -0.37 -0.44 -0.18 0.00 -2.81 0.00 0.00 60.65 56.85 1jfj h LYS 94 Cb 1.27 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 32.52 1jfj h LYS 94 CO 0.61 1.07 -0.66 1.49 -2.81 0.00 0.00 179.45 179.15 1jfj h GLU 95 N 0.65 0.58 0.12 1.90 4.81 -1.97 -1.14 114.58 119.54 1jfj h GLU 95 Ca 0.05 -0.42 -0.01 0.00 -0.13 0.00 0.00 59.36 58.85 1jfj h GLU 95 Cb 0.99 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1jfj h GLU 95 CO 0.09 1.04 -0.06 1.49 -0.73 0.00 0.00 179.01 180.85 1jfj h GLU 96 N 0.42 -0.16 -0.49 1.92 4.81 -1.93 0.32 114.58 119.48 1jfj h GLU 96 Ca -0.02 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1jfj h GLU 96 Cb 1.23 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.59 1jfj h GLU 96 CO 0.12 0.33 0.14 -0.24 -0.73 0.00 0.00 179.01 178.63 1jfj h VAL 97 N -0.81 0.79 -0.00 0.32 3.04 -0.17 0.37 116.25 119.79 1jfj h VAL 97 Ca -0.02 -0.10 -0.11 0.00 -1.01 0.00 0.00 66.70 65.46 1jfj h VAL 97 Cb 0.55 0.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.28 1jfj h VAL 97 CO 0.03 0.05 -0.53 0.00 -1.01 0.00 0.00 177.57 176.11 1jfj h THR 98 N 0.30 1.38 -0.39 3.17 1.03 -1.26 0.98 112.91 118.11 1jfj h THR 98 Ca 0.24 -1.81 -0.07 0.00 -0.01 0.00 0.00 66.41 64.75 1jfj h THR 98 Cb 0.28 1.98 -0.01 0.00 -1.07 0.00 0.00 68.15 69.32 1jfj h THR 98 CO -0.27 0.52 -0.04 0.28 -0.01 0.00 0.00 175.52 176.00 1jfj h SER 99 N 0.00 0.72 0.07 0.00 0.02 0.17 0.23 113.55 114.76 1jfj h SER 99 Ca -0.01 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1jfj h SER 99 Cb 0.94 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1jfj h SER 99 CO 0.07 0.88 -0.03 -0.26 -1.14 0.00 0.00 176.83 176.35 1jfj h PHE 100 N 0.54 -0.08 -0.12 3.45 0.04 -0.22 -3.20 116.94 117.34 1jfj h PHE 100 Ca 0.11 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.90 1jfj h PHE 100 Cb 0.54 0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 1jfj h PHE 100 CO 0.04 0.50 -0.06 0.74 -0.60 0.00 0.00 178.31 178.93 1jfj h PHE 101 N -0.85 -0.14 -1.14 -0.55 0.04 -0.86 -1.03 116.94 112.41 1jfj h PHE 101 Ca -0.01 0.01 0.33 0.00 2.80 0.00 0.00 57.97 61.10 1jfj h PHE 101 Cb 0.62 0.08 -0.11 0.00 2.20 0.00 0.00 35.95 38.75 1jfj h PHE 101 CO 0.14 -0.10 0.73 -0.22 -0.60 0.00 0.00 178.31 178.26 1jfj h LYS 102 N -0.05 0.26 -0.96 1.51 3.11 -0.67 1.44 116.57 121.22 1jfj h LYS 102 Ca 0.07 -0.02 0.18 0.00 -2.81 0.00 0.00 60.65 58.07 1jfj h LYS 102 Cb 0.16 -0.06 -0.09 0.00 -1.00 0.00 0.00 32.23 31.24 1jfj h LYS 102 CO -0.16 0.18 0.61 -0.22 -2.81 0.00 0.00 179.45 177.05 1jfj h LYS 103 N 0.27 0.66 0.00 1.90 3.64 -1.17 -2.06 116.57 119.81 1jfj h LYS 103 Ca 0.68 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.95 1jfj h LYS 103 Cb 1.91 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 33.57 1jfj h LYS 103 CO -0.35 0.44 -0.39 1.25 -2.27 0.00 0.00 179.45 178.13 1jfj h HIS 104 N 0.68 0.02 0.00 1.91 2.76 0.19 -3.49 115.15 117.21 1jfj h HIS 104 Ca 0.52 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.67 1jfj h HIS 104 Cb 0.90 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.86 1jfj h HIS 104 CO -0.00 1.15 0.00 0.41 -1.30 0.00 0.00 177.93 178.19 1jfj n GLY 105 N 1.56 1.16 3.20 5.26 0.00 -0.11 -5.04 105.19 111.23 1jfj n GLY 105 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 2.19 0.11 -0.61 0.13 -1.24 -4.57 119.36 115.37 1jfj n ILE 106 Ca 0.00 -2.03 -0.03 0.00 -1.10 0.00 0.00 62.75 59.59 1jfj n ILE 106 Cb 0.00 -2.32 0.08 0.00 -0.84 0.00 0.00 39.64 36.55 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 8.06 0.00 -0.55 9.51 4.11 -1.92 -3.28 114.58 130.51 1jfj h GLU 107 Ca 0.40 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.90 1jfj h GLU 107 Cb 0.74 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.89 1jfj h GLU 107 CO 1.75 0.74 -0.47 0.87 0.07 0.00 0.00 179.01 181.97 1jfj h LYS 108 N 0.00 -0.25 -1.32 1.06 1.57 -2.00 1.31 116.57 116.94 1jfj h LYS 108 Ca -0.01 0.02 0.39 0.00 -1.87 0.00 0.00 60.65 59.18 1jfj h LYS 108 Cb 1.32 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.60 1jfj h LYS 108 CO 0.10 -0.17 0.90 -0.24 -0.57 0.00 0.00 179.45 179.47 1jfj h VAL 109 N -0.26 0.29 -0.35 0.50 3.04 -1.96 1.49 116.25 119.00 1jfj h VAL 109 Ca 0.15 -0.04 -0.05 0.00 -1.01 0.00 0.00 66.70 65.76 1jfj h VAL 109 Cb 0.57 0.16 -0.01 0.00 -2.01 0.00 0.00 31.29 29.99 1jfj h VAL 109 CO -0.67 0.02 0.04 0.00 -1.01 0.00 0.00 177.57 175.94 1jfj h ALA 110 N 1.45 0.46 -0.51 3.17 0.00 0.15 0.36 119.26 124.34 1jfj h ALA 110 Ca 0.71 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 55.30 1jfj h ALA 110 Cb 2.42 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 20.07 1jfj h ALA 110 CO -0.19 0.19 -0.06 1.49 0.00 0.00 0.00 179.25 180.67 1jfj h GLU 111 N 0.42 0.95 -0.57 0.00 4.57 0.27 0.15 114.58 120.38 1jfj h GLU 111 Ca 0.10 -0.34 -0.10 0.00 -1.18 0.00 0.00 59.36 57.85 1jfj h GLU 111 Cb 0.39 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 1jfj h GLU 111 CO 0.01 1.00 -0.05 1.96 -1.18 0.00 0.00 179.01 180.75 1jfj h GLN 112 N 0.82 1.02 -0.16 1.92 7.50 -0.47 -0.63 115.11 125.11 1jfj h GLN 112 Ca 0.14 -0.34 -0.14 0.00 0.50 0.00 0.00 58.65 58.81 1jfj h GLN 112 Cb 0.61 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.05 1jfj h GLN 112 CO 0.04 1.02 -0.48 0.28 -1.50 0.00 0.00 178.83 178.19 1jfj h VAL 113 N 0.92 1.32 -0.53 -0.54 2.07 -0.09 0.39 116.25 119.80 1jfj h VAL 113 Ca 0.16 -1.69 -0.11 0.00 0.82 0.00 0.00 66.70 65.87 1jfj h VAL 113 Cb 0.60 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1jfj h VAL 113 CO 0.04 0.52 -0.09 -0.03 0.02 0.00 0.00 177.57 178.02 1jfj h MET 114 N 0.34 1.00 -0.00 1.57 -1.53 -0.33 -1.83 114.93 114.14 1jfj h MET 114 Ca 0.02 -0.36 -0.16 0.00 -3.44 0.00 0.00 59.70 55.75 1jfj h MET 114 Cb 0.97 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.93 1jfj h MET 114 CO 0.08 1.04 -0.76 0.87 0.14 0.00 0.00 176.91 178.29 1jfj h LYS 115 N 0.87 0.02 0.15 0.39 1.79 -0.99 -3.22 116.57 115.58 1jfj h LYS 115 Ca 0.14 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 1jfj h LYS 115 Cb 0.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1jfj h LYS 115 CO 0.05 0.77 -0.07 0.00 -1.08 0.00 0.00 179.45 179.11 1jfj h ALA 116 N 1.22 -0.21 0.00 3.86 0.00 -0.64 -3.26 119.26 120.25 1jfj h ALA 116 Ca -0.01 -0.08 -0.62 0.00 0.00 0.00 0.00 54.91 54.20 1jfj h ALA 116 Cb 1.34 0.08 0.06 0.00 0.00 0.00 0.00 17.79 19.27 1jfj h ALA 116 CO 0.10 -0.57 2.20 -3.47 0.00 0.00 0.00 179.25 177.50 1jfj n ASP 117 N -5.14 2.45 -1.41 0.00 2.03 -0.71 -4.43 116.55 109.33 1jfj n ASP 117 Ca -0.09 -2.63 -0.07 0.00 0.52 0.00 0.00 54.79 52.53 1jfj n ASP 117 Cb 0.14 -1.03 0.21 0.00 -0.72 0.00 0.00 41.12 39.72 1jfj n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfj n ALA 118 N 7.41 4.41 -0.01 -1.67 0.00 -1.23 -4.33 120.51 125.09 1jfj n ALA 118 Ca 0.48 -2.91 0.06 0.00 0.00 0.00 0.00 53.44 51.08 1jfj n ALA 118 Cb 0.38 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.77 1jfj n ALA 118 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jfj n ASN 119 N -0.96 0.15 -0.31 0.00 0.23 -1.26 -5.04 115.26 108.07 1jfj n ASN 119 Ca 0.38 0.06 0.00 0.00 -0.53 0.00 0.00 54.58 54.49 1jfj n ASN 119 Cb 1.18 1.52 0.00 0.00 -2.08 0.00 0.00 39.78 40.40 1jfj n ASN 119 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jfj n GLY 120 N 1.35 -0.04 1.87 4.83 0.00 -1.26 -5.07 105.19 106.87 1jfj n GLY 120 Ca -0.09 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1jfj n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jfj n ASP 121 N -0.06 0.00 0.00 1.61 9.92 -1.26 -5.03 116.55 121.72 1jfj n ASP 121 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1jfj n ASP 121 Cb 0.00 0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.90 1jfj n ASP 121 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jfj n GLY 122 N -1.21 2.85 3.42 0.44 0.00 -1.26 -5.03 105.19 104.40 1jfj n GLY 122 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1jfj n GLY 122 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jfj n TYR 123 N -0.84 0.61 -3.80 1.61 4.01 -1.26 -3.09 117.16 114.40 1jfj n TYR 123 Ca 0.00 -2.52 -0.09 0.00 -0.16 0.00 0.00 57.90 55.13 1jfj n TYR 123 Cb 0.00 -0.16 -0.04 0.00 -0.31 0.00 0.00 39.34 38.83 1jfj n TYR 123 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 1jfj s ILE 124 N -2.93 0.02 0.41 -0.72 2.07 0.11 -4.97 121.20 115.18 1jfj s ILE 124 Ca 0.11 -0.93 0.07 0.00 -1.41 0.00 0.00 60.65 58.49 1jfj s ILE 124 Cb 0.01 -1.75 -0.08 0.00 0.13 0.00 0.00 42.46 40.77 1jfj s ILE 124 CO 0.08 -0.08 0.01 0.42 -1.91 0.00 0.00 174.94 173.45 1jfj s THR 125 N -3.91 2.01 0.08 4.00 -4.23 -1.26 0.25 115.64 112.59 1jfj s THR 125 Ca 0.12 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.39 1jfj s THR 125 Cb -0.02 -3.00 -0.16 0.00 1.34 0.00 0.00 72.50 70.67 1jfj s THR 125 CO 0.01 -0.00 1.69 0.25 -0.54 0.00 0.00 174.62 176.03 1jfj h LEU 126 N 1.76 -0.06 -0.01 4.79 6.46 -1.96 0.36 115.31 126.65 1jfj h LEU 126 Ca -0.44 -0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.31 1jfj h LEU 126 Cb 1.24 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 41.17 1jfj h LEU 126 CO 0.81 -0.01 -0.08 -0.08 -0.62 0.00 0.00 178.44 178.46 1jfj h GLU 127 N -0.11 -0.13 -0.85 1.25 4.22 -1.97 0.18 114.58 117.17 1jfj h GLU 127 Ca -0.01 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.49 1jfj h GLU 127 Cb 0.09 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 1jfj h GLU 127 CO 0.01 -0.09 0.53 1.49 -2.18 0.00 0.00 179.01 178.78 1jfj h GLU 128 N -0.14 0.97 0.22 1.92 4.81 -1.92 -1.12 114.58 119.33 1jfj h GLU 128 Ca 0.04 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1jfj h GLU 128 Cb 0.18 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1jfj h GLU 128 CO -0.09 0.64 -0.13 0.35 -0.73 0.00 0.00 179.01 179.05 1jfj h PHE 129 N 1.00 -0.33 0.34 0.92 3.04 0.35 0.26 116.94 122.52 1jfj h PHE 129 Ca 0.36 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.30 1jfj h PHE 129 Cb 0.11 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.71 1jfj h PHE 129 CO -0.03 -0.20 -0.51 1.25 -2.02 0.00 0.00 178.31 176.80 1jfj h LEU 130 N -0.33 -1.47 -1.81 0.59 7.12 -0.55 1.03 115.31 119.88 1jfj h LEU 130 Ca -0.02 0.13 0.18 0.00 0.13 0.00 0.00 57.88 58.30 1jfj h LEU 130 Cb 0.27 0.51 -0.04 0.00 -0.53 0.00 0.00 40.66 40.87 1jfj h LEU 130 CO 0.03 -0.62 0.50 -0.08 -0.13 0.00 0.00 178.44 178.15 1jfj h GLU 131 N -0.90 0.17 -0.07 1.25 4.81 -1.14 0.13 114.58 118.83 1jfj h GLU 131 Ca -0.04 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 58.95 1jfj h GLU 131 Cb 0.82 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.17 1jfj h GLU 131 CO -0.16 0.11 -0.89 0.74 -0.73 0.00 0.00 179.01 178.09 1jfj h PHE 132 N 0.17 0.92 -1.09 0.92 -1.00 0.14 -3.10 116.94 113.90 1jfj h PHE 132 Ca 0.35 -0.45 0.31 0.00 2.81 0.00 0.00 57.97 60.99 1jfj h PHE 132 Cb 1.14 -0.12 -0.05 0.00 3.61 0.00 0.00 35.95 40.53 1jfj h PHE 132 CO -0.00 1.27 0.77 1.03 -1.61 0.00 0.00 178.31 179.78 1jfj h SER 133 N 0.41 0.07 0.00 2.17 0.87 0.38 -3.50 113.55 113.94 1jfj h SER 133 Ca -0.08 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1jfj h SER 133 Cb 1.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1jfj h SER 133 CO 0.17 0.01 0.00 -0.11 -0.53 0.00 0.00 176.83 176.37