#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 -1.07 -0.11 -5.12 0.00 -2.06 0.31 119.26 111.21 1jfj h ALA 2 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.57 1jfj h ALA 2 Cb 0.00 0.82 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1jfj h ALA 2 CO 0.00 -1.16 -0.67 1.49 0.00 0.00 0.00 179.25 178.91 1jfj h GLU 3 N -0.88 0.65 -0.71 0.00 4.81 -2.01 -3.22 114.58 113.22 1jfj h GLU 3 Ca -0.03 -0.55 0.16 0.00 -0.13 0.00 0.00 59.36 58.80 1jfj h GLU 3 Cb 0.82 0.12 -0.13 0.00 0.63 0.00 0.00 28.75 30.19 1jfj h GLU 3 CO -0.18 1.17 -0.02 0.00 -0.73 0.00 0.00 179.01 179.24 1jfj h ALA 4 N 0.49 0.69 -0.29 2.92 0.00 -1.95 0.00 119.26 121.13 1jfj h ALA 4 Ca -0.05 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1jfj h ALA 4 Cb 1.32 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 19.45 1jfj h ALA 4 CO 0.14 -0.42 -0.55 1.25 0.00 0.00 0.00 179.25 179.67 1jfj h LEU 5 N 0.09 -1.80 -1.68 0.00 6.46 -0.40 0.60 115.31 118.58 1jfj h LEU 5 Ca 0.38 0.23 0.30 0.00 -0.12 0.00 0.00 57.88 58.66 1jfj h LEU 5 Cb 0.65 0.72 -0.07 0.00 -0.73 0.00 0.00 40.66 41.23 1jfj h LEU 5 CO -0.64 -0.44 0.74 0.15 -0.62 0.00 0.00 178.44 177.63 1jfj h PHE 6 N -0.48 0.33 -0.03 1.25 3.57 -1.11 1.19 116.94 121.66 1jfj h PHE 6 Ca 0.06 0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.39 1jfj h PHE 6 Cb 0.63 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1jfj h PHE 6 CO -0.67 0.03 -0.78 -0.22 -2.23 0.00 0.00 178.31 174.44 1jfj h LYS 7 N 0.19 0.24 -0.38 1.11 1.63 0.80 -3.19 116.57 116.97 1jfj h LYS 7 Ca 0.57 -0.22 -0.07 0.00 -0.85 0.00 0.00 60.65 60.08 1jfj h LYS 7 Cb 1.83 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 33.50 1jfj h LYS 7 CO -0.15 0.91 -0.02 1.49 -3.45 0.00 0.00 179.45 178.22 1jfj h GLU 8 N 0.15 0.68 -1.12 1.90 4.81 0.55 -2.71 114.58 118.84 1jfj h GLU 8 Ca -0.03 -0.23 0.36 0.00 -0.13 0.00 0.00 59.36 59.33 1jfj h GLU 8 Cb 1.37 -0.06 -0.13 0.00 0.63 0.00 0.00 28.75 30.56 1jfj h GLU 8 CO 0.12 0.79 0.69 0.97 -0.73 0.00 0.00 179.01 180.85 1jfj h ILE 9 N 0.49 0.26 -2.26 2.32 6.09 -1.02 0.22 117.51 123.61 1jfj h ILE 9 Ca 0.10 -0.08 -0.80 0.00 -1.37 0.00 0.00 64.86 62.72 1jfj h ILE 9 Cb 0.50 0.01 -0.24 0.00 0.47 0.00 0.00 36.82 37.56 1jfj h ILE 9 CO 0.02 0.04 1.23 -0.90 -3.07 0.00 0.00 178.15 175.48 1jfj n ASP 10 N -4.86 6.85 -0.38 2.19 5.68 -1.02 -4.78 116.55 120.23 1jfj n ASP 10 Ca 0.33 -3.45 0.30 0.00 -0.50 0.00 0.00 54.79 51.46 1jfj n ASP 10 Cb 1.14 -1.27 0.57 0.00 -1.14 0.00 0.00 41.12 40.42 1jfj n ASP 10 CO 0.00 0.00 0.00 0.58 -1.33 0.00 0.00 177.20 176.45 1jfj h VAL 11 N 2.89 0.27 -0.96 2.12 2.07 -1.10 1.29 116.25 122.83 1jfj h VAL 11 Ca 0.42 -0.08 0.23 0.00 0.82 0.00 0.00 66.70 68.09 1jfj h VAL 11 Cb 0.46 0.03 -0.12 0.00 -1.52 0.00 0.00 31.29 30.13 1jfj h VAL 11 CO 1.33 0.04 0.52 -0.55 0.02 0.00 0.00 177.57 178.93 1jfj h ASN 12 N 0.22 0.55 -1.03 0.57 -1.07 -1.86 -3.46 115.58 109.50 1jfj h ASN 12 Ca 0.74 0.14 0.00 0.00 0.07 0.00 0.00 56.30 57.25 1jfj h ASN 12 Cb 2.05 0.07 0.00 0.00 -2.07 0.00 0.00 38.32 38.37 1jfj h ASN 12 CO -0.45 0.07 0.00 0.61 0.07 0.00 0.00 177.43 177.74 1jfj n GLY 13 N -1.32 0.40 0.14 9.14 0.00 0.44 -5.06 105.19 108.93 1jfj n GLY 13 Ca 0.25 -0.54 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 1jfj n GLY 13 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jfj n ASP 14 N -0.32 3.05 0.00 1.61 2.03 -1.26 -5.03 116.55 116.64 1jfj n ASP 14 Ca 0.00 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1jfj n ASP 14 Cb 0.14 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1jfj n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jfj n GLY 15 N 3.09 1.63 3.47 0.27 0.00 -1.26 -5.05 105.19 107.34 1jfj n GLY 15 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.43 2.56 0.01 4.61 0.00 -1.26 -3.71 121.76 121.53 1jfj s ALA 16 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.01 1jfj s ALA 16 Cb 0.00 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 1jfj s ALA 16 CO 0.00 0.01 0.00 1.33 0.00 0.00 0.00 175.76 177.10 1jfj n VAL 17 N -0.64 0.00 -4.07 0.00 0.24 0.13 -4.88 118.33 109.11 1jfj n VAL 17 Ca -0.05 -0.03 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 1jfj n VAL 17 Cb 0.63 0.01 -0.05 0.00 -1.47 0.00 0.00 33.84 32.96 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 -1.03 0.57 0.21 -1.34 1.04 -1.26 -1.34 113.70 110.55 1jfj s SER 18 Ca 0.00 -1.33 -0.08 0.00 0.48 0.00 0.00 55.95 55.02 1jfj s SER 18 Cb 0.00 0.63 0.29 0.00 0.10 0.00 0.00 66.02 67.04 1jfj s SER 18 CO 0.00 -1.23 1.76 0.10 0.98 0.00 0.00 173.24 174.85 1jfj h TYR 19 N 2.18 0.52 -0.12 5.02 -0.00 -1.92 1.22 116.97 123.88 1jfj h TYR 19 Ca -0.28 0.03 -0.22 0.00 -0.00 0.00 0.00 58.73 58.25 1jfj h TYR 19 Cb 1.24 -0.14 0.01 0.00 -0.00 0.00 0.00 36.73 37.85 1jfj h TYR 19 CO 1.11 0.17 -0.81 1.49 -0.00 0.00 0.00 178.16 180.13 1jfj h GLU 20 N 0.51 0.72 -0.37 0.10 4.22 -1.97 -1.40 114.58 116.40 1jfj h GLU 20 Ca 0.32 -0.61 -0.04 0.00 0.08 0.00 0.00 59.36 59.11 1jfj h GLU 20 Cb 0.35 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1jfj h GLU 20 CO -0.27 1.22 0.09 0.93 -2.18 0.00 0.00 179.01 178.79 1jfj h GLU 21 N 0.48 0.59 -0.52 1.92 5.08 -1.71 -0.95 114.58 119.47 1jfj h GLU 21 Ca -0.06 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 1jfj h GLU 21 Cb 1.43 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 1jfj h GLU 21 CO 0.16 0.63 -0.01 -0.24 -1.00 0.00 0.00 179.01 178.55 1jfj h VAL 22 N 0.44 1.25 -0.46 3.13 3.04 0.15 -1.42 116.25 122.38 1jfj h VAL 22 Ca 0.11 -1.08 0.01 0.00 -1.01 0.00 0.00 66.70 64.73 1jfj h VAL 22 Cb 0.31 0.87 -0.03 0.00 -2.01 0.00 0.00 31.29 30.43 1jfj h VAL 22 CO 0.00 0.38 0.29 0.50 -1.01 0.00 0.00 177.57 177.74 1jfj h LYS 23 N 0.82 0.58 0.30 4.17 3.64 -0.93 -1.36 116.57 123.79 1jfj h LYS 23 Ca 0.15 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1jfj h LYS 23 Cb 0.51 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1jfj h LYS 23 CO 0.03 0.39 -0.14 0.00 -2.27 0.00 0.00 179.45 177.45 1jfj h ALA 24 N 1.18 -0.40 -0.46 5.00 0.00 -0.83 0.38 119.26 124.13 1jfj h ALA 24 Ca 0.17 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1jfj h ALA 24 Cb -0.05 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1jfj h ALA 24 CO -0.05 -0.72 -0.46 0.35 0.00 0.00 0.00 179.25 178.37 1jfj h PHE 25 N -0.41 -1.37 -0.47 0.00 3.04 -0.93 1.26 116.94 118.06 1jfj h PHE 25 Ca -0.04 0.08 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 1jfj h PHE 25 Cb 0.31 0.66 -0.02 0.00 2.56 0.00 0.00 35.95 39.46 1jfj h PHE 25 CO -0.05 -0.45 0.17 -0.24 -2.02 0.00 0.00 178.31 175.71 1jfj h VAL 26 N -0.31 1.19 -0.14 1.41 3.04 -1.13 -2.50 116.25 117.81 1jfj h VAL 26 Ca 0.13 -0.61 -0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1jfj h VAL 26 Cb 0.58 0.65 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 1jfj h VAL 26 CO -0.61 0.23 0.07 -1.28 -1.01 0.00 0.00 177.57 174.97 1jfj h SER 27 N 0.68 0.18 -1.73 3.17 0.87 0.34 -1.99 113.55 115.08 1jfj h SER 27 Ca 0.16 -0.11 0.53 0.00 -1.23 0.00 0.00 61.79 61.14 1jfj h SER 27 Cb 0.17 -0.05 -0.10 0.00 -0.44 0.00 0.00 62.40 61.99 1jfj h SER 27 CO -0.01 0.24 1.20 1.17 -0.53 0.00 0.00 176.83 178.90 1jfj n LYS 28 N -4.92 -0.01 0.00 2.24 0.00 0.40 -2.31 118.16 113.55 1jfj n LYS 28 Ca -0.05 1.14 0.00 0.00 0.00 0.00 0.00 58.31 59.41 1jfj n LYS 28 Cb 0.09 -2.47 0.00 0.00 0.00 0.00 0.00 35.03 32.64 1jfj n LYS 28 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1jfj n LYS 29 N -4.23 0.00 -2.35 1.64 5.02 -0.77 -5.07 118.16 112.41 1jfj n LYS 29 Ca 0.43 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.68 1jfj n LYS 29 Cb 1.83 -0.20 -0.01 0.00 -0.02 0.00 0.00 35.03 36.63 1jfj n LYS 29 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jfj n ARG 30 N -0.21 0.73 -3.02 1.97 5.12 -0.98 -5.03 116.66 115.24 1jfj n ARG 30 Ca 0.00 -0.50 -0.16 0.00 -1.93 0.00 0.00 57.85 55.26 1jfj n ARG 30 Cb 0.00 0.30 -0.01 0.00 -1.16 0.00 0.00 32.46 31.59 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 -2.71 2.52 -1.75 7.54 0.00 -1.26 -4.00 120.51 120.85 1jfj n ALA 31 Ca -0.02 -3.37 -0.34 0.00 0.00 0.00 0.00 53.44 49.71 1jfj n ALA 31 Cb 0.09 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 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 0.16 4.46 -3.15 0.00 5.41 -1.26 -4.57 119.36 120.41 1jfj n ILE 32 Ca 0.21 -3.67 -0.15 0.00 1.00 0.00 0.00 62.75 60.14 1jfj n ILE 32 Cb 0.70 -1.93 0.06 0.00 -0.71 0.00 0.00 39.64 37.76 1jfj n ILE 32 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1jfj n LYS 33 N 1.55 -5.16 0.18 0.38 5.02 -1.26 -4.90 118.16 113.97 1jfj n LYS 33 Ca 0.58 0.59 0.03 0.00 -2.02 0.00 0.00 58.31 57.48 1jfj n LYS 33 Cb 0.38 -4.86 0.35 0.00 -0.02 0.00 0.00 35.03 30.88 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 -1.64 0.00 0.63 4.39 7.08 -1.90 -1.86 115.58 122.28 1jfj h ASN 34 Ca -0.40 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 52.79 1jfj h ASN 34 Cb 1.25 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.47 1jfj h ASN 34 CO 0.37 0.40 -0.51 -0.33 -2.08 0.00 0.00 177.43 175.28 1jfj h GLU 35 N 0.00 -1.07 0.66 4.14 5.08 -1.95 0.59 114.58 122.04 1jfj h GLU 35 Ca -0.00 0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1jfj h GLU 35 Cb 0.74 0.24 0.01 0.00 0.50 0.00 0.00 28.75 30.24 1jfj h GLU 35 CO 0.05 -0.71 -0.32 0.37 -1.00 0.00 0.00 179.01 177.40 1jfj h GLN 36 N -1.11 -0.86 -0.76 2.33 -0.00 -1.95 0.21 115.11 112.98 1jfj h GLN 36 Ca -0.08 0.06 0.09 0.00 -0.00 0.00 0.00 58.65 58.72 1jfj h GLN 36 Cb 0.93 0.20 -0.11 0.00 0.00 0.00 0.00 27.48 28.49 1jfj h GLN 36 CO 0.01 -0.57 -0.51 -0.07 0.00 0.00 0.00 178.83 177.68 1jfj h LEU 37 N -1.06 -1.82 -1.44 -2.39 3.38 -1.38 1.34 115.31 111.94 1jfj h LEU 37 Ca -0.09 0.29 0.08 0.00 0.09 0.00 0.00 57.88 58.25 1jfj h LEU 37 Cb 0.68 0.81 -0.04 0.00 0.09 0.00 0.00 40.66 42.20 1jfj h LEU 37 CO 0.15 -0.31 0.46 0.25 0.09 0.00 0.00 178.44 179.09 1jfj h LEU 38 N -0.15 0.58 -0.01 1.67 6.46 0.19 -1.46 115.31 122.59 1jfj h LEU 38 Ca 0.17 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.97 1jfj h LEU 38 Cb 0.52 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 40.28 1jfj h LEU 38 CO -0.80 0.36 -0.33 -0.61 -0.62 0.00 0.00 178.44 176.44 1jfj h GLN 39 N 0.65 -0.46 0.96 1.25 4.15 0.50 1.02 115.11 123.18 1jfj h GLN 39 Ca 0.31 0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.72 1jfj h GLN 39 Cb 0.38 0.10 0.01 0.00 0.21 0.00 0.00 27.48 28.18 1jfj h GLN 39 CO -0.11 -0.31 -0.46 1.25 -1.93 0.00 0.00 178.83 177.28 1jfj h LEU 40 N -0.48 -1.10 -0.39 -2.39 5.85 -0.36 -1.73 115.31 114.72 1jfj h LEU 40 Ca 0.06 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1jfj h LEU 40 Cb 0.57 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 1jfj h LEU 40 CO -0.27 -0.78 -0.45 0.40 -0.34 0.00 0.00 178.44 177.00 1jfj h ILE 41 N -1.31 0.00 -0.91 4.05 2.04 -1.10 0.28 117.51 120.57 1jfj h ILE 41 Ca -0.13 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.81 1jfj h ILE 41 Cb 0.99 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.96 1jfj h ILE 41 CO 0.22 0.00 -0.54 0.15 0.00 0.00 0.00 178.15 177.98 1jfj h PHE 42 N -0.28 -1.73 0.16 1.37 3.57 0.11 0.41 116.94 120.55 1jfj h PHE 42 Ca 0.07 0.12 0.01 0.00 3.53 0.00 0.00 57.97 61.70 1jfj h PHE 42 Cb 0.46 0.88 -0.05 0.00 2.79 0.00 0.00 35.95 40.03 1jfj h PHE 42 CO -0.74 -0.34 -0.53 0.87 -2.23 0.00 0.00 178.31 175.34 1jfj h LYS 43 N -0.00 -0.75 -0.75 1.11 6.56 -0.33 0.90 116.57 123.30 1jfj h LYS 43 Ca 0.15 0.05 0.07 0.00 -1.06 0.00 0.00 60.65 59.86 1jfj h LYS 43 Cb 0.38 0.17 -0.10 0.00 -0.57 0.00 0.00 32.23 32.11 1jfj h LYS 43 CO -0.86 -0.50 -0.54 1.03 -2.06 0.00 0.00 179.45 176.52 1jfj h SER 44 N -0.78 -1.94 -0.45 0.86 0.87 0.14 1.24 113.55 113.48 1jfj h SER 44 Ca -0.01 0.28 0.06 0.00 -1.23 0.00 0.00 61.79 60.89 1jfj h SER 44 Cb 0.77 0.84 -0.03 0.00 -0.44 0.00 0.00 62.40 63.55 1jfj h SER 44 CO -0.27 -0.27 0.30 -0.29 -0.53 0.00 0.00 176.83 175.78 1jfj h ILE 45 N -0.12 0.97 -3.05 2.23 -0.00 0.21 -3.37 117.51 114.37 1jfj h ILE 45 Ca 0.12 -0.13 -0.56 0.00 -0.00 0.00 0.00 64.86 64.30 1jfj h ILE 45 Cb 0.44 0.56 -0.05 0.00 -0.00 0.00 0.00 36.82 37.77 1jfj h ILE 45 CO -0.78 0.07 1.10 -1.81 -0.00 0.00 0.00 178.15 176.73 1jfj s ASP 46 N -6.50 6.21 -0.23 2.19 1.11 0.43 -4.80 116.67 115.08 1jfj s ASP 46 Ca -0.07 0.62 0.06 0.00 0.18 0.00 0.00 52.55 53.33 1jfj s ASP 46 Cb 0.19 -2.54 -0.18 0.00 1.07 0.00 0.00 42.92 41.45 1jfj s ASP 46 CO 0.73 -1.58 -0.14 0.00 1.18 0.00 0.00 175.17 175.36 1jfj n ALA 47 N 9.29 1.49 -0.04 5.23 0.00 -1.26 -4.58 120.51 130.64 1jfj n ALA 47 Ca 0.15 -1.11 -0.17 0.00 0.00 0.00 0.00 53.44 52.31 1jfj n ALA 47 Cb 0.49 -0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 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 0.00 0.14 0.00 0.00 3.04 -1.94 -3.49 116.42 114.18 1jfj h ASP 48 Ca -0.54 -0.89 0.00 0.00 -3.24 0.00 0.00 57.03 52.35 1jfj h ASP 48 Cb 1.94 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 40.18 1jfj h ASP 48 CO -0.06 1.23 0.00 0.61 -2.04 0.00 0.00 179.24 178.99 1jfj n GLY 49 N 1.61 1.54 0.14 7.15 0.00 -1.26 -5.00 105.19 109.37 1jfj n GLY 49 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.86 1.61 7.08 -1.95 -3.47 115.58 117.98 1jfj h ASN 50 Ca 0.00 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 53.11 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 0.45 -0.14 0.61 -2.08 0.00 0.00 177.43 176.27 1jfj n GLY 51 N 1.22 0.17 3.14 9.14 0.00 -1.26 -5.03 105.19 112.57 1jfj n GLY 51 Ca 0.01 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.34 0.84 0.13 1.61 2.02 -1.26 -3.17 118.70 114.54 1jfj s GLU 52 Ca 0.01 -1.38 0.01 0.00 0.02 0.00 0.00 54.97 53.63 1jfj s GLU 52 Cb -0.00 0.17 -0.04 0.00 0.10 0.00 0.00 34.13 34.35 1jfj s GLU 52 CO 0.01 -0.19 -0.00 0.42 0.02 0.00 0.00 175.26 175.52 1jfj s ILE 53 N -3.95 0.50 0.10 -1.63 1.01 -0.45 -4.93 121.20 111.84 1jfj s ILE 53 Ca 0.18 -1.94 0.02 0.00 0.00 0.00 0.00 60.65 58.91 1jfj s ILE 53 Cb 0.07 -1.95 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 1jfj s ILE 53 CO -0.02 -0.61 0.06 -0.90 0.00 0.00 0.00 174.94 173.47 1jfj n ASP 54 N -0.13 0.43 -0.02 3.58 5.68 -1.26 0.19 116.55 125.02 1jfj n ASP 54 Ca -0.08 -1.59 -0.10 0.00 -0.50 0.00 0.00 54.79 52.52 1jfj n ASP 54 Cb 0.63 0.36 -0.04 0.00 -1.14 0.00 0.00 41.12 40.93 1jfj n ASP 54 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1jfj h GLN 55 N 0.00 0.12 0.64 0.11 7.50 -1.98 0.63 115.11 122.14 1jfj h GLN 55 Ca -0.08 -0.01 -0.03 0.00 0.50 0.00 0.00 58.65 59.04 1jfj h GLN 55 Cb 0.33 -0.03 0.01 0.00 0.05 0.00 0.00 27.48 27.84 1jfj h GLN 55 CO 0.11 0.08 -0.31 -0.91 -1.50 0.00 0.00 178.83 176.30 1jfj h ASN 56 N 0.12 -0.73 -1.03 1.46 4.21 -1.97 -0.98 115.58 116.67 1jfj h ASN 56 Ca 0.06 0.03 0.29 0.00 1.21 0.00 0.00 56.30 57.88 1jfj h ASN 56 Cb 0.03 0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 37.37 1jfj h ASN 56 CO -0.05 -0.37 0.73 -0.33 -1.29 0.00 0.00 177.43 176.11 1jfj h GLU 57 N -1.16 0.06 -0.00 0.81 5.08 -1.94 0.11 114.58 117.54 1jfj h GLU 57 Ca -0.09 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1jfj h GLU 57 Cb 0.66 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1jfj h GLU 57 CO 0.14 0.04 -0.00 0.35 -1.00 0.00 0.00 179.01 178.55 1jfj h PHE 58 N 0.06 0.00 -0.99 4.33 3.57 0.49 0.27 116.94 124.67 1jfj h PHE 58 Ca 0.50 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 62.15 1jfj h PHE 58 Cb 1.89 -0.00 -0.09 0.00 2.79 0.00 0.00 35.95 40.54 1jfj h PHE 58 CO -0.00 0.52 0.62 0.00 -2.23 0.00 0.00 178.31 177.22 1jfj h ALA 59 N 0.48 1.61 -0.03 2.41 0.00 0.58 0.13 119.26 124.43 1jfj h ALA 59 Ca 0.00 0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 1jfj h ALA 59 Cb 0.52 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jfj h ALA 59 CO 0.00 0.10 -0.91 -0.22 0.00 0.00 0.00 179.25 178.22 1jfj h LYS 60 N 0.89 0.55 -0.30 0.00 3.64 -1.22 -2.42 116.57 117.70 1jfj h LYS 60 Ca 0.52 -0.54 0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1jfj h LYS 60 Cb 0.65 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.53 1jfj h LYS 60 CO -0.29 1.17 -0.23 0.35 -2.27 0.00 0.00 179.45 178.18 1jfj h PHE 61 N 0.33 -0.60 0.58 1.91 3.04 0.22 -3.04 116.94 119.38 1jfj h PHE 61 Ca -0.08 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.88 1jfj h PHE 61 Cb 1.54 0.31 0.01 0.00 2.56 0.00 0.00 35.95 40.37 1jfj h PHE 61 CO 0.07 -0.30 -0.28 1.88 -2.02 0.00 0.00 178.31 177.66 1jfj h TYR 62 N -0.20 -0.73 0.00 0.41 -1.99 -1.31 -3.46 116.97 109.68 1jfj h TYR 62 Ca 0.16 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.87 1jfj h TYR 62 Cb 0.45 0.24 0.00 0.00 2.00 0.00 0.00 36.73 39.42 1jfj h TYR 62 CO -0.41 -0.45 0.00 0.41 -0.00 0.00 0.00 178.16 177.70 1jfj n GLY 63 N -0.24 1.42 0.00 3.88 0.00 -0.91 -3.01 105.19 106.32 1jfj n GLY 63 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1jfj n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jfj n SER 64 N 3.09 0.00 -2.21 1.61 3.41 -1.26 -5.01 113.62 113.25 1jfj n SER 64 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1jfj n SER 64 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 1jfj n SER 64 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jfj n ILE 65 N 0.00 3.11 0.13 -1.33 3.06 -1.16 -4.78 119.36 118.39 1jfj n ILE 65 Ca 0.00 -3.59 -0.16 0.00 -2.50 0.00 0.00 62.75 56.50 1jfj n ILE 65 Cb 0.00 -1.16 -0.10 0.00 0.54 0.00 0.00 39.64 38.93 1jfj n ILE 65 CO 0.00 0.00 0.00 -0.61 -2.50 0.00 0.00 176.55 173.44 1jfj h GLN 66 N 2.12 -0.75 -7.00 9.51 4.15 -1.95 -3.41 115.11 117.78 1jfj h GLN 66 Ca 0.49 0.05 -0.54 0.00 0.77 0.00 0.00 58.65 59.42 1jfj h GLN 66 Cb 1.12 0.17 0.12 0.00 0.21 0.00 0.00 27.48 29.10 1jfj h GLN 66 CO 1.20 -0.50 0.67 0.20 -1.93 0.00 0.00 178.83 178.47 1jfj s GLY 67 N -2.17 2.91 0.12 2.39 0.00 -1.26 -4.91 107.32 104.39 1jfj s GLY 67 Ca -0.16 1.41 0.00 0.00 0.00 0.00 0.00 44.72 45.97 1jfj s GLY 67 CO 0.59 2.00 0.00 -1.06 0.00 0.00 0.00 173.10 174.63 1jfj n GLN 68 N -0.40 0.00 -1.27 2.90 1.13 -1.26 -5.02 117.38 113.46 1jfj n GLN 68 Ca 0.06 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.74 1jfj n GLN 68 Cb 0.43 -0.08 0.01 0.00 0.11 0.00 0.00 30.24 30.71 1jfj n GLN 68 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1jfj n ASP 69 N -2.99 -3.35 0.20 1.08 9.92 -1.26 -4.78 116.55 115.37 1jfj n ASP 69 Ca 0.00 0.66 0.05 0.00 -0.53 0.00 0.00 54.79 54.96 1jfj n ASP 69 Cb 0.05 -0.89 0.48 0.00 -0.64 0.00 0.00 41.12 40.12 1jfj n ASP 69 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1jfj h LEU 70 N 0.00 0.04 0.31 0.64 5.85 -1.99 -2.71 115.31 117.46 1jfj h LEU 70 Ca -0.42 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1jfj h LEU 70 Cb 1.44 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 1jfj h LEU 70 CO 0.42 0.21 -0.24 0.28 -0.34 0.00 0.00 178.44 178.78 1jfj h SER 71 N 0.05 -0.62 -1.00 1.25 0.02 -1.98 0.67 113.55 111.94 1jfj h SER 71 Ca 0.01 0.05 0.22 0.00 -0.84 0.00 0.00 61.79 61.23 1jfj h SER 71 Cb 0.32 0.20 -0.10 0.00 0.14 0.00 0.00 62.40 62.95 1jfj h SER 71 CO 0.02 -0.36 0.62 -0.78 -1.14 0.00 0.00 176.83 175.19 1jfj h ASP 72 N -0.55 0.65 0.78 3.07 1.82 -1.81 1.18 116.42 121.55 1jfj h ASP 72 Ca -0.02 0.10 -0.15 0.00 -0.39 0.00 0.00 57.03 56.56 1jfj h ASP 72 Cb 0.48 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.46 1jfj h ASP 72 CO -0.01 0.18 -0.73 -0.78 -1.61 0.00 0.00 179.24 176.30 1jfj h ASP 73 N 0.61 0.00 -0.02 2.28 1.82 -1.19 -3.21 116.42 116.71 1jfj h ASP 73 Ca 0.59 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 57.22 1jfj h ASP 73 Cb 1.13 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.14 1jfj h ASP 73 CO -0.37 0.73 -0.02 0.50 -1.61 0.00 0.00 179.24 178.47 1jfj h LYS 74 N 0.00 0.05 -1.03 0.28 1.63 0.71 -2.72 116.57 115.50 1jfj h LYS 74 Ca -0.01 -0.03 0.30 0.00 -0.85 0.00 0.00 60.65 60.06 1jfj h LYS 74 Cb 1.31 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.90 1jfj h LYS 74 CO 0.09 0.52 0.82 0.97 -3.45 0.00 0.00 179.45 178.40 1jfj h ILE 75 N -0.41 0.35 0.50 2.00 -0.00 0.23 0.15 117.51 120.33 1jfj h ILE 75 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.84 1jfj h ILE 75 Cb 0.51 0.41 0.00 0.00 -0.00 0.00 0.00 36.82 37.74 1jfj h ILE 75 CO 0.01 0.00 -0.24 1.23 -0.00 0.00 0.00 178.15 179.15 1jfj h GLY 76 N 0.00 -0.70 0.60 8.18 0.00 -1.49 -0.63 103.07 109.03 1jfj h GLY 76 Ca 0.49 0.26 0.15 0.00 0.00 0.00 0.00 47.33 48.23 1jfj h GLY 76 CO -0.01 -0.25 0.53 -2.00 0.00 0.00 0.00 176.54 174.81 1jfj h LEU 77 N -1.16 0.46 0.23 3.11 5.85 -0.85 0.08 115.31 123.02 1jfj h LEU 77 Ca -0.07 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1jfj h LEU 77 Cb 0.53 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1jfj h LEU 77 CO 0.11 0.23 -0.11 0.50 -0.34 0.00 0.00 178.44 178.83 1jfj h LYS 78 N 0.48 -0.29 -0.03 1.25 3.64 -0.79 0.31 116.57 121.14 1jfj h LYS 78 Ca 0.40 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.83 1jfj h LYS 78 Cb 0.85 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.68 1jfj h LYS 78 CO -0.15 -0.02 -0.39 0.28 -2.27 0.00 0.00 179.45 176.91 1jfj h VAL 79 N -0.56 0.19 -0.13 2.00 2.07 0.40 0.10 116.25 120.33 1jfj h VAL 79 Ca -0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1jfj h VAL 79 Cb 0.41 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 1jfj h VAL 79 CO 0.05 0.00 -0.38 -0.07 0.02 0.00 0.00 177.57 177.20 1jfj h LEU 80 N -0.53 -1.17 -1.69 2.57 3.38 -1.03 0.33 115.31 117.16 1jfj h LEU 80 Ca 0.06 0.16 0.29 0.00 0.09 0.00 0.00 57.88 58.48 1jfj h LEU 80 Cb 0.62 0.48 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 1jfj h LEU 80 CO -0.32 -0.40 0.73 1.88 0.09 0.00 0.00 178.44 180.42 1jfj h TYR 81 N -0.45 0.32 -0.05 1.13 0.05 -0.21 0.46 116.97 118.21 1jfj h TYR 81 Ca 0.09 0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.73 1jfj h TYR 81 Cb 0.59 -0.09 0.01 0.00 1.01 0.00 0.00 36.73 38.25 1jfj h TYR 81 CO -0.45 0.03 -0.53 -0.22 -1.05 0.00 0.00 178.16 175.94 1jfj h LYS 82 N 0.19 0.44 0.46 4.88 3.11 0.20 -3.01 116.57 122.85 1jfj h LYS 82 Ca 0.55 -0.41 -0.02 0.00 -2.81 0.00 0.00 60.65 57.96 1jfj h LYS 82 Cb 1.79 0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 33.12 1jfj h LYS 82 CO -0.14 1.06 -0.28 1.25 -2.81 0.00 0.00 179.45 178.52 1jfj h LEU 83 N -0.02 -0.71 -0.75 5.20 7.12 0.32 -2.84 115.31 123.63 1jfj h LEU 83 Ca -0.05 0.04 0.13 0.00 0.13 0.00 0.00 57.88 58.13 1jfj h LEU 83 Cb 1.21 0.21 -0.14 0.00 -0.53 0.00 0.00 40.66 41.41 1jfj h LEU 83 CO 0.11 -0.45 -0.31 0.24 -0.13 0.00 0.00 178.44 177.89 1jfj h MET 84 N -0.71 -0.08 -5.36 1.25 2.86 -0.64 -3.32 114.93 108.93 1jfj h MET 84 Ca -0.05 0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.44 1jfj h MET 84 Cb 0.58 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1jfj h MET 84 CO 0.05 -0.05 0.63 -3.47 1.06 0.00 0.00 176.91 175.13 1jfj n ASP 85 N -5.47 1.59 -0.09 1.22 2.03 -1.07 -4.67 116.55 110.09 1jfj n ASP 85 Ca 0.08 -1.13 0.16 0.00 0.52 0.00 0.00 54.79 54.41 1jfj n ASP 85 Cb 0.38 -1.52 0.85 0.00 -0.72 0.00 0.00 41.12 40.11 1jfj n ASP 85 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1jfj n VAL 86 N 8.29 0.00 0.08 5.18 3.14 -1.25 -2.90 118.33 130.86 1jfj n VAL 86 Ca 0.47 -0.04 0.01 0.00 -2.96 0.00 0.00 64.34 61.81 1jfj n VAL 86 Cb 0.42 -0.31 -0.04 0.00 -1.06 0.00 0.00 33.84 32.85 1jfj n VAL 86 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 1jfj h ASP 87 N 0.42 0.00 -3.87 6.55 5.19 -1.92 -3.49 116.42 119.30 1jfj h ASP 87 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1jfj h ASP 87 Cb 0.12 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 1jfj h ASP 87 CO 0.00 0.57 -0.51 0.61 -3.12 0.00 0.00 179.24 176.79 1jfj n GLY 88 N 1.32 -3.63 1.22 2.75 0.00 -1.14 -5.02 105.19 100.68 1jfj n GLY 88 Ca -0.04 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.45 -0.41 -0.23 1.61 5.68 -1.26 -5.05 116.55 117.33 1jfj n ASP 89 Ca -0.06 0.12 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 1jfj n ASP 89 Cb 0.10 0.66 0.00 0.00 -1.14 0.00 0.00 41.12 40.74 1jfj n ASP 89 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfj n GLY 90 N -1.30 0.67 3.34 6.12 0.00 -1.26 -5.06 105.19 107.69 1jfj n GLY 90 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.81 0.38 0.27 1.61 -2.85 -1.26 -3.39 119.74 113.68 1jfj s LYS 91 Ca 0.00 1.10 0.12 0.00 -1.00 0.00 0.00 55.97 56.18 1jfj s LYS 91 Cb 0.00 0.41 -0.05 0.00 -2.06 0.00 0.00 37.83 36.13 1jfj s LYS 91 CO 0.00 -0.24 -0.18 -0.51 0.10 0.00 0.00 175.35 174.53 1jfj s LEU 92 N 2.58 2.66 0.53 2.77 2.01 0.13 -4.93 118.68 124.44 1jfj s LEU 92 Ca -0.03 -0.95 0.00 0.00 0.01 0.00 0.00 54.13 53.16 1jfj s LEU 92 Cb -0.12 -1.20 0.00 0.00 0.01 0.00 0.00 46.19 44.88 1jfj s LEU 92 CO -0.14 0.05 0.01 0.42 1.01 0.00 0.00 176.35 177.70 1jfj s THR 93 N -2.37 1.03 0.21 5.49 -4.23 -1.26 0.25 115.64 114.75 1jfj s THR 93 Ca 0.29 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.81 1jfj s THR 93 Cb -0.06 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 1jfj s THR 93 CO 0.15 0.00 1.53 0.50 -0.54 0.00 0.00 174.62 176.26 1jfj h LYS 94 N 1.26 0.49 0.35 3.99 3.11 -1.93 -1.34 116.57 122.50 1jfj h LYS 94 Ca -0.44 -0.30 -0.02 0.00 -2.81 0.00 0.00 60.65 57.08 1jfj h LYS 94 Cb 1.33 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.59 1jfj h LYS 94 CO 0.73 0.90 -0.17 1.49 -2.81 0.00 0.00 179.45 179.59 1jfj h GLU 95 N 0.38 -0.46 -0.33 1.90 4.81 -1.96 -0.30 114.58 118.62 1jfj h GLU 95 Ca 0.01 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1jfj h GLU 95 Cb 1.06 0.10 -0.08 0.00 0.63 0.00 0.00 28.75 30.46 1jfj h GLU 95 CO 0.10 -0.31 -0.31 1.49 -0.73 0.00 0.00 179.01 179.25 1jfj h GLU 96 N -1.13 -0.26 -0.35 1.92 4.81 -1.97 0.40 114.58 117.99 1jfj h GLU 96 Ca -0.05 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1jfj h GLU 96 Cb 0.36 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1jfj h GLU 96 CO 0.08 -0.18 0.17 -0.24 -0.73 0.00 0.00 179.01 178.11 1jfj h VAL 97 N -0.27 0.97 -0.57 0.32 3.04 -1.36 -0.18 116.25 118.20 1jfj h VAL 97 Ca 0.15 -0.12 0.12 0.00 -1.01 0.00 0.00 66.70 65.85 1jfj h VAL 97 Cb 0.53 0.59 -0.03 0.00 -2.01 0.00 0.00 31.29 30.37 1jfj h VAL 97 CO -0.48 0.06 0.39 0.74 -1.01 0.00 0.00 177.57 177.27 1jfj h THR 98 N 0.35 0.82 0.34 3.17 2.02 0.57 0.26 112.91 120.44 1jfj h THR 98 Ca 0.15 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 1jfj h THR 98 Cb 0.07 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1jfj h THR 98 CO -0.11 0.04 -0.16 -1.28 0.37 0.00 0.00 175.52 174.38 1jfj h SER 99 N 0.23 -0.38 -0.82 4.18 0.87 0.14 0.12 113.55 117.89 1jfj h SER 99 Ca 0.27 -0.12 0.12 0.00 -1.23 0.00 0.00 61.79 60.83 1jfj h SER 99 Cb 0.74 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.74 1jfj h SER 99 CO -0.05 0.08 0.54 0.15 -0.53 0.00 0.00 176.83 177.01 1jfj h PHE 100 N -1.02 0.74 -0.01 2.24 3.57 -0.56 -0.11 116.94 121.79 1jfj h PHE 100 Ca -0.05 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.28 1jfj h PHE 100 Cb 0.48 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1jfj h PHE 100 CO 0.03 0.31 -0.85 0.74 -2.23 0.00 0.00 178.31 176.31 1jfj h PHE 101 N 0.66 0.41 -0.67 0.41 0.04 -0.52 -3.23 116.94 114.04 1jfj h PHE 101 Ca 0.40 -0.21 0.14 0.00 2.80 0.00 0.00 57.97 61.10 1jfj h PHE 101 Cb 0.61 -0.05 -0.11 0.00 2.20 0.00 0.00 35.95 38.60 1jfj h PHE 101 CO -0.00 1.01 0.07 -0.22 -0.60 0.00 0.00 178.31 178.56 1jfj h LYS 102 N 0.17 0.17 -1.39 1.51 3.11 0.12 0.95 116.57 121.21 1jfj h LYS 102 Ca -0.05 -0.01 0.40 0.00 -2.81 0.00 0.00 60.65 58.18 1jfj h LYS 102 Cb 1.47 -0.04 -0.06 0.00 -1.00 0.00 0.00 32.23 32.60 1jfj h LYS 102 CO 0.14 0.11 0.99 0.87 -2.81 0.00 0.00 179.45 178.75 1jfj h LYS 103 N 0.17 0.01 0.04 1.90 1.57 -1.54 0.54 116.57 119.26 1jfj h LYS 103 Ca 0.36 -0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.07 1jfj h LYS 103 Cb 0.61 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1jfj h LYS 103 CO -0.53 0.00 -0.36 0.45 -0.57 0.00 0.00 179.45 178.44 1jfj h HIS 104 N 0.01 0.16 0.00 -1.35 3.86 0.74 -3.48 115.15 115.08 1jfj h HIS 104 Ca 0.66 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.76 1jfj h HIS 104 Cb 2.64 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 31.10 1jfj h HIS 104 CO -0.00 1.14 0.00 0.41 0.86 0.00 0.00 177.93 180.34 1jfj n GLY 105 N 1.62 0.87 3.48 2.45 0.00 0.19 -5.05 105.19 108.74 1jfj n GLY 105 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1jfj n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jfj s ILE 106 N -2.00 4.66 0.16 -0.61 1.01 -1.25 -4.77 121.20 118.40 1jfj s ILE 106 Ca 0.00 -1.77 0.12 0.00 0.00 0.00 0.00 60.65 59.00 1jfj s ILE 106 Cb 0.00 -4.88 -0.03 0.00 0.01 0.00 0.00 42.46 37.56 1jfj s ILE 106 CO 0.00 -1.63 1.53 1.05 0.00 0.00 0.00 174.94 175.89 1jfj h GLU 107 N 8.44 0.00 -0.87 2.79 4.11 -1.94 -3.19 114.58 123.91 1jfj h GLU 107 Ca 0.22 0.00 0.23 0.00 0.07 0.00 0.00 59.36 59.88 1jfj h GLU 107 Cb 0.97 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.09 1jfj h GLU 107 CO 1.21 0.66 0.27 1.57 0.07 0.00 0.00 179.01 182.79 1jfj h LYS 108 N 0.00 0.24 -0.96 1.06 2.10 -2.01 1.52 116.57 118.53 1jfj h LYS 108 Ca -0.01 -0.01 0.23 0.00 -2.00 0.00 0.00 60.65 58.85 1jfj h LYS 108 Cb 1.27 -0.05 -0.07 0.00 -0.90 0.00 0.00 32.23 32.47 1jfj h LYS 108 CO 0.09 0.16 0.63 -0.24 -2.00 0.00 0.00 179.45 178.08 1jfj h VAL 109 N 0.25 0.63 -0.63 0.07 3.04 -1.97 0.49 116.25 118.12 1jfj h VAL 109 Ca 0.55 -0.14 0.04 0.00 -1.01 0.00 0.00 66.70 66.14 1jfj h VAL 109 Cb 1.09 0.19 -0.05 0.00 -2.01 0.00 0.00 31.29 30.52 1jfj h VAL 109 CO -0.62 0.07 0.37 0.00 -1.01 0.00 0.00 177.57 176.38 1jfj h ALA 110 N 1.60 0.83 -0.33 3.17 0.00 0.20 0.21 119.26 124.94 1jfj h ALA 110 Ca 0.51 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.30 1jfj h ALA 110 Cb 1.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1jfj h ALA 110 CO -0.21 0.08 -0.29 1.49 0.00 0.00 0.00 179.25 180.32 1jfj h GLU 111 N 0.71 0.68 0.35 0.00 4.57 -0.00 -0.02 114.58 120.86 1jfj h GLU 111 Ca 0.27 -0.30 -0.02 0.00 -1.18 0.00 0.00 59.36 58.13 1jfj h GLU 111 Cb 0.09 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1jfj h GLU 111 CO -0.14 0.89 -0.17 0.37 -1.18 0.00 0.00 179.01 178.79 1jfj h GLN 112 N 0.58 -0.45 -0.25 1.92 4.15 -0.04 0.23 115.11 121.26 1jfj h GLN 112 Ca 0.07 0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 1jfj h GLN 112 Cb 0.79 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 1jfj h GLN 112 CO 0.07 -0.22 0.00 -0.24 -1.93 0.00 0.00 178.83 176.50 1jfj h VAL 113 N -0.59 1.15 -0.73 2.39 3.04 -0.61 0.13 116.25 121.04 1jfj h VAL 113 Ca -0.05 -0.59 -0.06 0.00 -1.01 0.00 0.00 66.70 64.98 1jfj h VAL 113 Cb 0.43 0.97 -0.03 0.00 -2.01 0.00 0.00 31.29 30.65 1jfj h VAL 113 CO 0.08 0.20 0.20 -0.03 -1.01 0.00 0.00 177.57 177.01 1jfj h MET 114 N 0.36 1.15 -0.00 4.17 1.85 -0.62 -2.13 114.93 119.70 1jfj h MET 114 Ca 0.08 -0.26 -0.17 0.00 -0.61 0.00 0.00 59.70 58.75 1jfj h MET 114 Cb 0.24 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.09 1jfj h MET 114 CO 0.01 0.99 -0.78 0.87 -0.40 0.00 0.00 176.91 177.60 1jfj h LYS 115 N 1.09 0.03 0.13 0.39 1.79 -0.23 -3.23 116.57 116.55 1jfj h LYS 115 Ca 0.23 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.68 1jfj h LYS 115 Cb 0.34 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 1jfj h LYS 115 CO -0.00 0.79 -0.14 0.00 -1.08 0.00 0.00 179.45 179.02 1jfj h ALA 116 N 1.20 -0.27 -0.34 3.86 0.00 -0.49 -3.32 119.26 119.90 1jfj h ALA 116 Ca -0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1jfj h ALA 116 Cb 1.37 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 1jfj h ALA 116 CO 0.10 -0.67 0.44 0.34 0.00 0.00 0.00 179.25 179.46 1jfj s ASP 117 N -4.94 4.19 -0.20 0.00 -1.08 -0.85 -4.55 116.67 109.25 1jfj s ASP 117 Ca -0.15 -0.97 -0.12 0.00 -0.52 0.00 0.00 52.55 50.80 1jfj s ASP 117 Cb 0.07 -2.58 -0.20 0.00 -1.46 0.00 0.00 42.92 38.75 1jfj s ASP 117 CO 0.65 -3.87 0.08 0.00 0.52 0.00 0.00 175.17 172.56 1jfj n ALA 118 N 17.24 1.00 -0.28 3.66 0.00 -1.25 -4.13 120.51 136.75 1jfj n ALA 118 Ca 0.43 -0.74 0.24 0.00 0.00 0.00 0.00 53.44 53.37 1jfj n ALA 118 Cb 0.46 -0.39 0.56 0.00 0.00 0.00 0.00 19.45 20.08 1jfj n ALA 118 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1jfj h ASN 119 N -0.50 0.34 -2.67 0.00 -1.07 -1.94 -3.46 115.58 106.28 1jfj h ASN 119 Ca -0.48 0.05 0.00 0.00 0.07 0.00 0.00 56.30 55.94 1jfj h ASN 119 Cb 1.69 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 37.94 1jfj h ASN 119 CO -0.14 0.09 0.00 0.61 0.07 0.00 0.00 177.43 178.07 1jfj n GLY 120 N -1.55 -2.57 2.01 9.14 0.00 -1.26 -5.07 105.19 105.89 1jfj n GLY 120 Ca 0.23 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1jfj n GLY 120 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jfj n ASP 121 N 0.00 -0.14 0.00 1.61 2.03 -1.26 -5.07 116.55 113.72 1jfj n ASP 121 Ca 0.00 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1jfj n ASP 121 Cb 0.00 0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 1jfj n ASP 121 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jfj n GLY 122 N 1.19 3.77 2.39 0.27 0.00 -1.26 -5.09 105.19 106.45 1jfj n GLY 122 Ca 0.00 -0.87 -0.20 0.00 0.00 0.00 0.00 46.02 44.95 1jfj n GLY 122 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1jfj n TYR 123 N 0.00 0.42 -3.92 1.61 0.18 -1.26 -3.74 117.16 110.45 1jfj n TYR 123 Ca 0.00 -1.76 -0.09 0.00 1.88 0.00 0.00 57.90 57.93 1jfj n TYR 123 Cb 0.00 -0.11 -0.05 0.00 -0.38 0.00 0.00 39.34 38.81 1jfj n TYR 123 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 1jfj s ILE 124 N -2.44 0.01 0.18 -3.48 -4.36 0.14 -4.95 121.20 106.30 1jfj s ILE 124 Ca 0.08 -1.21 0.01 0.00 -0.26 0.00 0.00 60.65 59.27 1jfj s ILE 124 Cb 0.00 -2.02 -0.00 0.00 1.25 0.00 0.00 42.46 41.69 1jfj s ILE 124 CO 0.05 -0.05 0.05 0.35 0.24 0.00 0.00 174.94 175.59 1jfj n THR 125 N -0.38 0.00 0.05 8.37 -2.24 -1.26 -0.69 114.28 118.13 1jfj n THR 125 Ca -0.04 -1.00 -0.15 0.00 -2.27 0.00 0.00 64.05 60.59 1jfj n THR 125 Cb 0.62 0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 1jfj n THR 125 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1jfj h LEU 126 N 0.00 0.65 -0.10 3.22 8.10 -1.97 -1.81 115.31 123.40 1jfj h LEU 126 Ca -0.14 -0.50 -0.03 0.00 0.11 0.00 0.00 57.88 57.31 1jfj h LEU 126 Cb 0.52 -0.20 -0.00 0.00 -0.44 0.00 0.00 40.66 40.53 1jfj h LEU 126 CO 0.23 1.30 -0.06 -0.33 -4.11 0.00 0.00 178.44 175.47 1jfj h GLU 127 N 0.30 0.22 -0.28 0.17 5.08 -1.97 -0.12 114.58 117.97 1jfj h GLU 127 Ca -0.08 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1jfj h GLU 127 Cb 1.56 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.79 1jfj h GLU 127 CO 0.17 0.58 0.04 1.49 -1.00 0.00 0.00 179.01 180.29 1jfj h GLU 128 N -0.15 0.41 -0.23 2.33 4.81 -1.96 0.43 114.58 120.22 1jfj h GLU 128 Ca 0.02 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 58.98 1jfj h GLU 128 Cb 0.52 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.83 1jfj h GLU 128 CO 0.02 0.41 -0.66 0.35 -0.73 0.00 0.00 179.01 178.39 1jfj h PHE 129 N 0.41 1.10 0.31 0.92 3.04 -1.19 0.88 116.94 122.42 1jfj h PHE 129 Ca 0.10 -0.44 -0.02 0.00 3.98 0.00 0.00 57.97 61.59 1jfj h PHE 129 Cb 0.21 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.53 1jfj h PHE 129 CO 0.01 1.28 -0.15 1.25 -2.02 0.00 0.00 178.31 178.67 1jfj h LEU 130 N 0.62 -0.35 -1.48 0.59 6.46 -0.48 -1.72 115.31 118.94 1jfj h LEU 130 Ca -0.02 -0.16 -0.02 0.00 -0.12 0.00 0.00 57.88 57.56 1jfj h LEU 130 Cb 1.29 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.29 1jfj h LEU 130 CO 0.14 -0.01 0.14 -0.33 -0.62 0.00 0.00 178.44 177.77 1jfj h GLU 131 N -0.73 0.49 -0.75 1.25 5.08 -1.00 -1.84 114.58 117.08 1jfj h GLU 131 Ca -0.04 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1jfj h GLU 131 Cb 0.49 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1jfj h GLU 131 CO 0.07 0.41 0.34 0.35 -1.00 0.00 0.00 179.01 179.18 1jfj h PHE 132 N 0.49 1.09 0.00 4.33 3.57 -0.66 -1.69 116.94 124.06 1jfj h PHE 132 Ca 0.12 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1jfj h PHE 132 Cb 0.10 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 1jfj h PHE 132 CO 0.00 0.80 -0.34 1.03 -2.23 0.00 0.00 178.31 177.58 1jfj h SER 133 N 1.07 0.00 0.00 0.41 0.87 -0.47 -3.50 113.55 111.93 1jfj h SER 133 Ca 0.26 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1jfj h SER 133 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1jfj h SER 133 CO -0.03 0.34 0.00 -0.11 -0.53 0.00 0.00 176.83 176.50