#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 -0.35 -0.04 3.17 0.00 -2.08 -3.33 119.26 116.63 1jfj h ALA 2 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1jfj h ALA 2 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jfj h ALA 2 CO 0.00 -0.32 -0.86 1.05 0.00 0.00 0.00 179.25 179.12 1jfj h GLU 3 N -1.09 0.43 -1.93 0.00 4.11 -2.05 -3.13 114.58 110.92 1jfj h GLU 3 Ca -0.04 -0.42 0.57 0.00 0.07 0.00 0.00 59.36 59.54 1jfj h GLU 3 Cb 0.27 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.54 1jfj h GLU 3 CO 0.06 1.07 1.38 0.00 0.07 0.00 0.00 179.01 181.59 1jfj h ALA 4 N 0.79 3.80 -0.55 1.06 0.00 -2.01 0.39 119.26 122.75 1jfj h ALA 4 Ca -0.06 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 54.86 1jfj h ALA 4 Cb 1.48 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.33 1jfj h ALA 4 CO 0.15 -2.37 -0.54 -0.07 0.00 0.00 0.00 179.25 176.42 1jfj h LEU 5 N 0.00 -1.85 -1.73 0.00 3.38 -1.65 0.99 115.31 114.46 1jfj h LEU 5 Ca 0.93 0.26 0.24 0.00 0.09 0.00 0.00 57.88 59.41 1jfj h LEU 5 Cb 3.70 0.78 -0.06 0.00 0.09 0.00 0.00 40.66 45.18 1jfj h LEU 5 CO -0.04 -0.36 0.64 0.15 0.09 0.00 0.00 178.44 178.92 1jfj h PHE 6 N -0.30 0.29 -0.20 1.13 3.04 -0.48 0.51 116.94 120.94 1jfj h PHE 6 Ca 0.11 0.01 -0.20 0.00 3.98 0.00 0.00 57.97 61.87 1jfj h PHE 6 Cb 0.56 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1jfj h PHE 6 CO -0.78 0.06 -0.67 -0.22 -2.02 0.00 0.00 178.31 174.69 1jfj h LYS 7 N 0.21 0.77 0.47 1.11 3.11 0.70 -3.02 116.57 119.92 1jfj h LYS 7 Ca 0.47 -0.56 -0.02 0.00 -2.81 0.00 0.00 60.65 57.73 1jfj h LYS 7 Cb 1.50 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.83 1jfj h LYS 7 CO -0.11 1.18 -0.23 1.49 -2.81 0.00 0.00 179.45 178.97 1jfj h GLU 8 N 0.55 -0.61 -1.14 1.90 4.81 0.44 -2.05 114.58 118.49 1jfj h GLU 8 Ca -0.02 0.04 0.33 0.00 -0.13 0.00 0.00 59.36 59.58 1jfj h GLU 8 Cb 1.28 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.74 1jfj h GLU 8 CO 0.14 -0.36 0.81 0.97 -0.73 0.00 0.00 179.01 179.83 1jfj h ILE 9 N -0.71 0.43 -0.22 2.32 6.09 -1.14 -3.00 117.51 121.28 1jfj h ILE 9 Ca -0.06 -0.02 -0.68 0.00 -1.37 0.00 0.00 64.86 62.72 1jfj h ILE 9 Cb 0.53 0.36 -0.04 0.00 0.47 0.00 0.00 36.82 38.13 1jfj h ILE 9 CO 0.11 0.01 2.73 -0.67 -3.07 0.00 0.00 178.15 177.25 1jfj n ASP 10 N -4.27 3.90 -0.33 2.19 -0.08 -0.77 -4.71 116.55 112.47 1jfj n ASP 10 Ca 0.25 -2.83 0.22 0.00 -1.51 0.00 0.00 54.79 50.92 1jfj n ASP 10 Cb 1.16 -1.61 0.49 0.00 2.34 0.00 0.00 41.12 43.50 1jfj n ASP 10 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1jfj h VAL 11 N 4.52 0.51 0.51 5.18 2.07 -1.74 0.98 116.25 128.28 1jfj h VAL 11 Ca 0.51 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.87 1jfj h VAL 11 Cb 0.71 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1jfj h VAL 11 CO 1.77 0.08 -0.36 0.78 0.02 0.00 0.00 177.57 179.85 1jfj h ASN 12 N 0.41 -0.94 -0.21 0.57 4.21 -1.89 -3.48 115.58 114.26 1jfj h ASN 12 Ca 0.62 0.06 0.00 0.00 1.21 0.00 0.00 56.30 58.19 1jfj h ASN 12 Cb 1.50 0.29 0.00 0.00 -1.12 0.00 0.00 38.32 38.99 1jfj h ASN 12 CO -0.34 -0.55 0.00 0.61 -1.29 0.00 0.00 177.43 175.87 1jfj n GLY 13 N -1.49 0.73 0.06 2.83 0.00 0.34 -5.02 105.19 102.63 1jfj n GLY 13 Ca -0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 0.02 1.99 -0.04 1.61 5.75 -1.26 -5.03 116.55 119.60 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 0.07 0.87 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 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 2.20 1.04 3.20 6.12 0.00 -1.26 -5.12 105.19 111.38 1jfj n GLY 15 Ca -0.18 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.08 0.33 0.31 4.61 0.00 -1.26 -3.99 121.76 119.68 1jfj s ALA 16 Ca 0.00 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 50.95 1jfj s ALA 16 Cb 0.00 0.67 -0.06 0.00 0.00 0.00 0.00 23.12 23.73 1jfj s ALA 16 CO 0.00 -0.51 -0.07 0.08 0.00 0.00 0.00 175.76 175.25 1jfj s VAL 17 N -3.96 1.88 0.30 0.00 1.01 0.12 -4.72 120.40 115.03 1jfj s VAL 17 Ca 0.15 -2.16 0.03 0.00 0.00 0.00 0.00 61.98 60.00 1jfj s VAL 17 Cb 0.06 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1jfj s VAL 17 CO -0.04 -0.26 0.28 -0.94 0.00 0.00 0.00 175.10 174.15 1jfj s SER 18 N -3.51 1.13 0.22 3.32 1.04 -1.26 0.32 113.70 114.95 1jfj s SER 18 Ca 0.31 -1.60 -0.09 0.00 0.48 0.00 0.00 55.95 55.05 1jfj s SER 18 Cb 0.03 0.53 0.18 0.00 0.10 0.00 0.00 66.02 66.86 1jfj s SER 18 CO 0.14 -1.05 1.85 0.10 0.98 0.00 0.00 173.24 175.26 1jfj h TYR 19 N 2.26 1.11 -0.01 5.02 -0.00 -1.93 1.39 116.97 124.81 1jfj h TYR 19 Ca -0.28 -0.01 -0.20 0.00 0.00 0.00 0.00 58.73 58.24 1jfj h TYR 19 Cb 1.24 -0.36 -0.01 0.00 0.00 0.00 0.00 36.73 37.60 1jfj h TYR 19 CO 1.30 0.76 -0.86 1.49 -0.00 0.00 0.00 178.16 180.85 1jfj h GLU 20 N 1.14 0.25 -0.04 0.10 4.81 -1.97 -1.48 114.58 117.40 1jfj h GLU 20 Ca 0.29 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 1jfj h GLU 20 Cb -0.01 0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.45 1jfj h GLU 20 CO -0.05 0.97 -0.42 0.93 -0.73 0.00 0.00 179.01 179.70 1jfj h GLU 21 N 0.15 0.35 -0.29 1.92 5.08 -1.82 0.48 114.58 120.44 1jfj h GLU 21 Ca -0.05 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1jfj h GLU 21 Cb 1.47 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 1jfj h GLU 21 CO 0.14 0.99 0.14 -0.24 -1.00 0.00 0.00 179.01 179.04 1jfj h VAL 22 N -0.18 1.15 -0.44 3.13 3.04 0.18 0.48 116.25 123.60 1jfj h VAL 22 Ca -0.04 -0.41 -0.08 0.00 -1.01 0.00 0.00 66.70 65.16 1jfj h VAL 22 Cb 1.11 0.89 -0.02 0.00 -2.01 0.00 0.00 31.29 31.26 1jfj h VAL 22 CO 0.08 0.15 -0.06 0.07 -1.01 0.00 0.00 177.57 176.81 1jfj h LYS 23 N 0.34 0.76 -0.15 4.17 2.10 -1.33 -1.30 116.57 121.15 1jfj h LYS 23 Ca 0.10 -0.22 -0.10 0.00 -2.00 0.00 0.00 60.65 58.43 1jfj h LYS 23 Cb 0.11 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.35 1jfj h LYS 23 CO -0.01 0.81 -0.34 0.00 -2.00 0.00 0.00 179.45 177.90 1jfj h ALA 24 N 1.24 1.14 0.63 0.07 0.00 -0.35 0.59 119.26 122.59 1jfj h ALA 24 Ca 0.13 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1jfj h ALA 24 Cb 0.51 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1jfj h ALA 24 CO 0.03 0.56 -0.30 0.35 0.00 0.00 0.00 179.25 179.88 1jfj h PHE 25 N 0.27 -0.79 -0.97 0.00 3.04 0.65 -3.21 116.94 115.92 1jfj h PHE 25 Ca 0.03 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.02 1jfj h PHE 25 Cb 0.74 0.26 -0.06 0.00 2.56 0.00 0.00 35.95 39.44 1jfj h PHE 25 CO 0.02 -0.49 0.63 -0.24 -2.02 0.00 0.00 178.31 176.20 1jfj h VAL 26 N -1.20 1.10 -1.24 1.41 3.04 -1.28 -1.12 116.25 116.95 1jfj h VAL 26 Ca -0.09 -0.40 0.44 0.00 -1.01 0.00 0.00 66.70 65.65 1jfj h VAL 26 Cb 0.65 -0.16 -0.15 0.00 -2.01 0.00 0.00 31.29 29.62 1jfj h VAL 26 CO 0.14 0.21 0.77 -1.28 -1.01 0.00 0.00 177.57 176.40 1jfj h SER 27 N 1.16 0.26 -1.28 3.17 0.87 -0.87 1.14 113.55 118.00 1jfj h SER 27 Ca 0.41 0.18 0.45 0.00 -1.23 0.00 0.00 61.79 61.61 1jfj h SER 27 Cb 0.12 0.18 -0.15 0.00 -0.44 0.00 0.00 62.40 62.12 1jfj h SER 27 CO -0.16 -0.28 0.80 0.50 -0.53 0.00 0.00 176.83 177.16 1jfj h LYS 28 N 0.04 0.04 0.00 2.24 3.64 -1.21 -2.52 116.57 118.80 1jfj h LYS 28 Ca 0.85 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.23 1jfj h LYS 28 Cb 2.54 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 34.36 1jfj h LYS 28 CO -0.55 0.02 0.00 1.17 -2.27 0.00 0.00 179.45 177.83 1jfj n LYS 29 N -4.84 0.00 -1.67 1.90 3.00 0.39 -5.06 118.16 111.89 1jfj n LYS 29 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 1jfj n LYS 29 Cb 1.46 -0.51 0.00 0.00 0.00 0.00 0.00 35.03 35.99 1jfj n LYS 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1jfj n ARG 30 N -0.41 0.59 -2.96 1.64 5.12 -0.95 -5.10 116.66 114.60 1jfj n ARG 30 Ca 0.00 0.00 -0.14 0.00 -1.93 0.00 0.00 57.85 55.78 1jfj n ARG 30 Cb 0.00 0.00 0.02 0.00 -1.16 0.00 0.00 32.46 31.32 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 1.58 -1.91 7.54 0.00 -1.26 -4.07 120.51 119.39 1jfj n ALA 31 Ca 0.00 -2.77 -0.36 0.00 0.00 0.00 0.00 53.44 50.31 1jfj n ALA 31 Cb 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 1jfj n ALA 31 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1jfj n ILE 32 N 0.17 4.61 -3.25 0.00 -5.35 -1.26 -4.65 119.36 109.63 1jfj n ILE 32 Ca 0.16 -4.12 -0.23 0.00 -0.27 0.00 0.00 62.75 58.29 1jfj n ILE 32 Cb 0.71 -1.77 0.04 0.00 -1.74 0.00 0.00 39.64 36.88 1jfj n ILE 32 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1jfj n LYS 33 N 1.01 -5.52 0.32 6.28 4.01 -1.26 -4.89 118.16 118.11 1jfj n LYS 33 Ca 0.55 0.83 -0.17 0.00 -0.51 0.00 0.00 58.31 59.01 1jfj n LYS 33 Cb 0.35 -5.73 -0.09 0.00 -0.51 0.00 0.00 35.03 29.05 1jfj n LYS 33 CO 0.00 0.00 0.00 -2.95 -1.11 0.00 0.00 177.40 173.34 1jfj h ASN 34 N -1.71 -0.70 -1.76 4.39 -1.07 -1.92 -1.73 115.58 111.08 1jfj h ASN 34 Ca -0.53 0.03 0.54 0.00 0.07 0.00 0.00 56.30 56.40 1jfj h ASN 34 Cb 1.36 0.19 -0.10 0.00 -2.07 0.00 0.00 38.32 37.70 1jfj h ASN 34 CO 0.57 -0.49 1.24 -1.84 0.07 0.00 0.00 177.43 176.98 1jfj n GLU 35 N -5.44 -0.01 0.35 4.14 0.00 -1.26 0.75 120.64 119.16 1jfj n GLU 35 Ca -0.13 1.11 -0.14 0.00 0.00 0.00 0.00 57.16 58.01 1jfj n GLU 35 Cb 0.33 -2.45 -0.07 0.00 0.00 0.00 0.00 31.44 29.26 1jfj n GLU 35 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1jfj h GLN 36 N 0.00 -0.87 0.54 3.44 4.15 -1.69 -0.37 115.11 120.32 1jfj h GLN 36 Ca 0.91 0.06 -0.03 0.00 0.77 0.00 0.00 58.65 60.36 1jfj h GLN 36 Cb 3.43 0.20 0.01 0.00 0.21 0.00 0.00 27.48 31.32 1jfj h GLN 36 CO -0.15 -0.58 -0.26 -0.07 -1.93 0.00 0.00 178.83 175.84 1jfj h LEU 37 N -1.09 -0.62 -0.98 -2.39 3.38 -0.03 -1.15 115.31 112.43 1jfj h LEU 37 Ca -0.09 -0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.03 1jfj h LEU 37 Cb 0.69 0.16 -0.18 0.00 0.09 0.00 0.00 40.66 41.42 1jfj h LEU 37 CO 0.15 -0.22 -0.28 0.25 0.09 0.00 0.00 178.44 178.43 1jfj h LEU 38 N -1.12 -1.05 -0.57 1.67 6.46 0.19 1.21 115.31 122.11 1jfj h LEU 38 Ca -0.07 0.30 -0.00 0.00 -0.12 0.00 0.00 57.88 57.98 1jfj h LEU 38 Cb 0.61 0.65 -0.03 0.00 -0.73 0.00 0.00 40.66 41.16 1jfj h LEU 38 CO 0.12 -0.32 0.35 -0.61 -0.62 0.00 0.00 178.44 177.37 1jfj h GLN 39 N -0.00 0.77 -0.52 1.25 4.15 -1.04 0.58 115.11 120.29 1jfj h GLN 39 Ca 0.44 -0.06 0.10 0.00 0.77 0.00 0.00 58.65 59.90 1jfj h GLN 39 Cb 0.69 -0.16 -0.11 0.00 0.21 0.00 0.00 27.48 28.11 1jfj h GLN 39 CO -1.01 0.54 -0.24 1.25 -1.93 0.00 0.00 178.83 177.44 1jfj h LEU 40 N 0.77 -0.84 -0.50 -2.39 6.46 0.27 0.43 115.31 119.51 1jfj h LEU 40 Ca 0.21 0.19 -0.17 0.00 -0.12 0.00 0.00 57.88 57.99 1jfj h LEU 40 Cb -0.04 0.45 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 1jfj h LEU 40 CO -0.04 -0.26 -0.67 -0.29 -0.62 0.00 0.00 178.44 176.56 1jfj h ILE 41 N -0.12 1.38 -0.33 4.05 -0.00 -0.77 -1.27 117.51 120.45 1jfj h ILE 41 Ca 0.24 -2.05 0.07 0.00 -0.00 0.00 0.00 64.86 63.11 1jfj h ILE 41 Cb 0.49 2.03 -0.06 0.00 -0.00 0.00 0.00 36.82 39.29 1jfj h ILE 41 CO -0.60 0.62 -0.06 0.15 -0.00 0.00 0.00 178.15 178.26 1jfj h PHE 42 N 0.26 -0.14 -0.09 2.19 3.57 0.33 0.16 116.94 123.23 1jfj h PHE 42 Ca -0.02 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 1jfj h PHE 42 Cb 1.21 0.11 0.01 0.00 2.79 0.00 0.00 35.95 40.07 1jfj h PHE 42 CO 0.04 -0.13 -0.44 -0.22 -2.23 0.00 0.00 178.31 175.33 1jfj h LYS 43 N 0.02 0.45 -0.47 1.11 3.11 -0.32 -1.68 116.57 118.79 1jfj h LYS 43 Ca 0.16 -0.37 0.08 0.00 -2.81 0.00 0.00 60.65 57.71 1jfj h LYS 43 Cb 0.24 0.08 -0.10 0.00 -1.00 0.00 0.00 32.23 31.45 1jfj h LYS 43 CO -0.33 1.01 -0.40 1.03 -2.81 0.00 0.00 179.45 177.94 1jfj h SER 44 N 0.01 -1.36 -0.64 4.20 0.87 -0.74 0.84 113.55 116.73 1jfj h SER 44 Ca -0.03 0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1jfj h SER 44 Cb 1.09 0.61 -0.03 0.00 -0.44 0.00 0.00 62.40 63.64 1jfj h SER 44 CO 0.09 -0.35 0.19 -0.29 -0.53 0.00 0.00 176.83 175.95 1jfj h ILE 45 N -0.27 1.25 -1.15 2.23 6.09 -0.75 -3.40 117.51 121.50 1jfj h ILE 45 Ca 0.17 -0.87 -0.53 0.00 -1.37 0.00 0.00 64.86 62.26 1jfj h ILE 45 Cb 0.57 0.59 -0.02 0.00 0.47 0.00 0.00 36.82 38.43 1jfj h ILE 45 CO -0.61 0.33 1.60 -0.67 -3.07 0.00 0.00 178.15 175.74 1jfj n ASP 46 N -4.35 1.89 -0.00 2.19 2.03 0.29 -4.74 116.55 113.87 1jfj n ASP 46 Ca 0.04 -0.08 -0.09 0.00 0.52 0.00 0.00 54.79 55.18 1jfj n ASP 46 Cb 0.22 -1.36 -0.14 0.00 -0.72 0.00 0.00 41.12 39.13 1jfj n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfj h ALA 47 N 15.85 0.67 0.07 -1.67 0.00 -1.79 -3.37 119.26 129.02 1jfj h ALA 47 Ca -0.22 -1.34 -0.25 0.00 0.00 0.00 0.00 54.91 53.10 1jfj h ALA 47 Cb 1.29 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1jfj h ALA 47 CO 1.16 1.51 -1.32 0.38 0.00 0.00 0.00 179.25 180.98 1jfj h ASP 48 N 0.00 0.24 0.00 0.00 3.04 -1.94 -3.49 116.42 114.27 1jfj h ASP 48 Ca -0.23 -0.77 0.00 0.00 -3.24 0.00 0.00 57.03 52.79 1jfj h ASP 48 Cb 1.96 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 40.18 1jfj h ASP 48 CO 0.09 1.56 0.00 0.61 -2.04 0.00 0.00 179.24 179.46 1jfj n GLY 49 N 1.67 1.62 0.00 7.15 0.00 -1.26 -4.96 105.19 109.41 1jfj n GLY 49 Ca -0.27 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1jfj n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jfj n ASN 50 N 0.08 0.00 -1.56 1.61 0.23 -1.26 -4.84 115.26 109.53 1jfj n ASN 50 Ca 0.00 -0.38 -0.13 0.00 -0.53 0.00 0.00 54.58 53.54 1jfj n ASN 50 Cb 0.01 -0.15 -0.05 0.00 -2.08 0.00 0.00 39.78 37.51 1jfj n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1jfj n GLY 51 N 0.62 0.96 3.21 4.83 0.00 -1.26 -4.88 105.19 108.67 1jfj n GLY 51 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.43 1.21 0.19 1.61 2.02 -1.26 -2.91 118.70 116.11 1jfj s GLU 52 Ca 0.00 -1.61 -0.01 0.00 0.02 0.00 0.00 54.97 53.37 1jfj s GLU 52 Cb 0.00 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.51 1jfj s GLU 52 CO 0.00 -0.40 0.26 0.44 0.02 0.00 0.00 175.26 175.58 1jfj n ILE 53 N -0.27 0.00 -4.23 -1.63 -5.35 0.15 -4.94 119.36 103.09 1jfj n ILE 53 Ca 0.02 -0.96 -0.12 0.00 -0.27 0.00 0.00 62.75 61.42 1jfj n ILE 53 Cb 0.66 0.58 -0.04 0.00 -1.74 0.00 0.00 39.64 39.10 1jfj n ILE 53 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1jfj n ASP 54 N -1.88 0.88 0.08 7.28 5.68 -1.26 0.12 116.55 127.44 1jfj n ASP 54 Ca 0.00 -2.08 -0.12 0.00 -0.50 0.00 0.00 54.79 52.09 1jfj n ASP 54 Cb 0.31 0.56 -0.05 0.00 -1.14 0.00 0.00 41.12 40.80 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 -0.41 0.76 0.11 4.20 -1.95 1.04 115.11 118.85 1jfj h GLN 55 Ca -0.15 0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1jfj h GLN 55 Cb 0.60 0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.48 1jfj h GLN 55 CO 0.24 -0.27 -0.37 -0.91 -0.67 0.00 0.00 178.83 176.85 1jfj h ASN 56 N -0.43 -0.87 -1.04 1.46 4.21 -1.97 0.14 115.58 117.09 1jfj h ASN 56 Ca 0.05 0.01 0.28 0.00 1.21 0.00 0.00 56.30 57.86 1jfj h ASN 56 Cb 0.49 0.22 -0.06 0.00 -1.12 0.00 0.00 38.32 37.85 1jfj h ASN 56 CO -0.20 -0.54 0.72 -0.08 -1.29 0.00 0.00 177.43 176.04 1jfj h GLU 57 N -1.17 0.16 -0.06 0.81 4.81 -1.92 0.42 114.58 117.63 1jfj h GLU 57 Ca -0.10 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 58.87 1jfj h GLU 57 Cb 0.81 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.17 1jfj h GLU 57 CO 0.17 0.11 -0.91 0.35 -0.73 0.00 0.00 179.01 178.00 1jfj h PHE 58 N 0.16 1.03 -0.70 0.92 3.04 0.16 -0.09 116.94 121.45 1jfj h PHE 58 Ca 0.53 -0.52 0.02 0.00 3.98 0.00 0.00 57.97 61.98 1jfj h PHE 58 Cb 1.78 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 40.12 1jfj h PHE 58 CO -0.00 1.35 0.45 0.00 -2.02 0.00 0.00 178.31 178.09 1jfj h ALA 59 N 0.45 0.90 0.46 2.41 0.00 0.26 -0.01 119.26 123.73 1jfj h ALA 59 Ca -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1jfj h ALA 59 Cb 1.56 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1jfj h ALA 59 CO 0.18 0.25 -0.22 0.87 0.00 0.00 0.00 179.25 180.34 1jfj h LYS 60 N 0.90 -0.59 -1.00 0.00 1.57 -1.15 -3.21 116.57 113.09 1jfj h LYS 60 Ca 0.27 0.04 0.39 0.00 -1.87 0.00 0.00 60.65 59.48 1jfj h LYS 60 Cb -0.03 0.13 -0.17 0.00 0.08 0.00 0.00 32.23 32.24 1jfj h LYS 60 CO -0.09 -0.39 0.54 0.35 -0.57 0.00 0.00 179.45 179.30 1jfj h PHE 61 N -1.16 0.85 -0.14 -1.35 3.57 -0.92 0.25 116.94 118.03 1jfj h PHE 61 Ca -0.06 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1jfj h PHE 61 Cb 0.48 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.95 1jfj h PHE 61 CO 0.00 -0.40 -0.42 -0.92 -2.23 0.00 0.00 178.31 174.35 1jfj h TYR 62 N 0.09 -1.20 -1.08 0.41 3.20 -0.99 0.31 116.97 117.71 1jfj h TYR 62 Ca 0.81 0.05 0.31 0.00 3.14 0.00 0.00 58.73 63.05 1jfj h TYR 62 Cb 2.08 0.54 -0.12 0.00 1.54 0.00 0.00 36.73 40.77 1jfj h TYR 62 CO -0.02 -0.47 0.67 0.78 -1.64 0.00 0.00 178.16 177.48 1jfj h GLY 63 N -0.48 1.58 -6.03 1.82 0.00 -0.56 -2.99 103.07 96.41 1jfj h GLY 63 Ca 0.08 -0.21 -0.46 0.00 0.00 0.00 0.00 47.33 46.74 1jfj h GLY 63 CO -0.40 -0.30 2.21 1.44 0.00 0.00 0.00 176.54 179.48 1jfj n SER 64 N -4.80 3.12 -1.94 0.19 7.64 0.10 -4.57 113.62 113.35 1jfj n SER 64 Ca 0.30 -2.44 -0.19 0.00 1.01 0.00 0.00 58.87 57.55 1jfj n SER 64 Cb 1.00 -0.99 0.05 0.00 -1.01 0.00 0.00 64.21 63.26 1jfj n SER 64 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1jfj n ILE 65 N 5.21 2.86 -2.71 0.44 -5.35 -1.13 -4.91 119.36 113.77 1jfj n ILE 65 Ca 0.42 -1.79 -0.21 0.00 -0.27 0.00 0.00 62.75 60.89 1jfj n ILE 65 Cb 0.24 -1.25 0.10 0.00 -1.74 0.00 0.00 39.64 36.99 1jfj n ILE 65 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jfj n GLN 66 N 0.09 0.10 -3.68 6.28 6.02 -1.26 -5.13 117.38 119.79 1jfj n GLN 66 Ca 0.35 -2.71 -0.15 0.00 -0.01 0.00 0.00 57.00 54.49 1jfj n GLN 66 Cb 0.64 -0.53 -0.08 0.00 1.02 0.00 0.00 30.24 31.29 1jfj n GLN 66 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1jfj s GLY 67 N -4.87 -0.34 0.00 1.08 0.00 -1.26 -4.88 107.32 97.05 1jfj s GLY 67 Ca 0.62 0.96 0.00 0.00 0.00 0.00 0.00 44.72 46.30 1jfj s GLY 67 CO 0.41 0.72 0.00 0.61 0.00 0.00 0.00 173.10 174.84 1jfj n GLN 68 N 1.73 0.00 -4.31 2.90 10.64 -1.26 -5.16 117.38 121.92 1jfj n GLN 68 Ca -0.18 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.72 1jfj n GLN 68 Cb 0.56 0.00 -0.10 0.00 -0.86 0.00 0.00 30.24 29.85 1jfj n GLN 68 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1jfj s ASP 69 N -0.68 4.13 -0.79 2.61 2.15 -1.26 -4.96 116.67 117.87 1jfj s ASP 69 Ca 0.00 -0.61 0.02 0.00 0.43 0.00 0.00 52.55 52.39 1jfj s ASP 69 Cb 0.00 -0.65 0.22 0.00 -0.30 0.00 0.00 42.92 42.19 1jfj s ASP 69 CO 0.00 0.11 0.76 -0.11 -0.17 0.00 0.00 175.17 175.76 1jfj n LEU 70 N 0.10 3.97 0.10 -1.34 0.00 -1.26 -4.84 117.00 113.72 1jfj n LEU 70 Ca -0.11 -5.25 -0.05 0.00 0.00 0.00 0.00 56.01 50.60 1jfj n LEU 70 Cb 0.55 -0.90 0.09 0.00 0.00 0.00 0.00 43.42 43.16 1jfj n LEU 70 CO 0.34 1.77 0.41 0.77 0.00 0.00 0.00 177.39 180.68 1jfj h SER 71 N 5.27 0.16 -1.32 1.96 4.64 -2.00 -3.00 113.55 119.26 1jfj h SER 71 Ca 0.17 -0.11 0.38 0.00 -0.47 0.00 0.00 61.79 61.77 1jfj h SER 71 Cb 0.73 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.72 1jfj h SER 71 CO 0.86 0.81 0.96 -0.78 -0.87 0.00 0.00 176.83 177.81 1jfj h ASP 72 N 0.09 0.00 -0.12 4.97 1.82 -1.97 1.55 116.42 122.76 1jfj h ASP 72 Ca -0.02 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.45 1jfj h ASP 72 Cb 1.24 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.25 1jfj h ASP 72 CO 0.10 0.00 -0.62 0.44 -1.61 0.00 0.00 179.24 177.55 1jfj h ASP 73 N 0.00 0.76 0.52 2.28 5.19 -1.93 0.43 116.42 123.66 1jfj h ASP 73 Ca 0.63 -0.64 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 1jfj h ASP 73 Cb 2.54 -0.22 0.01 0.00 0.18 0.00 0.00 39.33 41.84 1jfj h ASP 73 CO -0.01 1.27 -0.25 0.11 -3.12 0.00 0.00 179.24 177.25 1jfj h LYS 74 N 0.29 -0.67 0.00 3.56 1.57 0.19 0.51 116.57 122.01 1jfj h LYS 74 Ca -0.04 0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1jfj h LYS 74 Cb 1.26 0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.72 1jfj h LYS 74 CO 0.13 -0.37 -0.16 0.97 -0.57 0.00 0.00 179.45 179.45 1jfj h ILE 75 N -0.97 1.09 0.43 1.86 2.10 -0.58 0.12 117.51 121.56 1jfj h ILE 75 Ca -0.07 -0.56 -0.02 0.00 1.08 0.00 0.00 64.86 65.29 1jfj h ILE 75 Cb 0.62 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 37.65 1jfj h ILE 75 CO 0.12 0.16 -0.21 1.23 -1.08 0.00 0.00 178.15 178.37 1jfj h GLY 76 N 0.50 -0.61 1.64 8.18 0.00 0.07 0.13 103.07 112.98 1jfj h GLY 76 Ca -0.00 0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.61 1jfj h GLY 76 CO 0.02 -0.22 0.13 -2.00 0.00 0.00 0.00 176.54 174.47 1jfj h LEU 77 N -1.06 0.00 -0.09 3.11 5.85 0.17 -0.38 115.31 122.92 1jfj h LEU 77 Ca -0.06 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1jfj h LEU 77 Cb 0.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1jfj h LEU 77 CO 0.10 0.00 -0.21 0.50 -0.34 0.00 0.00 178.44 178.48 1jfj h LYS 78 N 0.00 0.30 -0.17 1.25 3.64 -0.91 -1.05 116.57 119.63 1jfj h LYS 78 Ca 0.09 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1jfj h LYS 78 Cb 0.34 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1jfj h LYS 78 CO -0.00 0.81 -0.08 0.28 -2.27 0.00 0.00 179.45 178.20 1jfj h VAL 79 N -0.17 0.75 0.19 2.00 2.07 0.64 0.43 116.25 122.16 1jfj h VAL 79 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1jfj h VAL 79 Cb 0.82 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1jfj h VAL 79 CO 0.05 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.37 1jfj h LEU 80 N -0.05 -0.51 -1.48 2.57 4.07 -1.15 0.22 115.31 118.97 1jfj h LEU 80 Ca 0.09 0.05 0.25 0.00 0.08 0.00 0.00 57.88 58.35 1jfj h LEU 80 Cb 0.19 0.18 -0.08 0.00 1.08 0.00 0.00 40.66 42.03 1jfj h LEU 80 CO -0.21 -0.29 0.66 1.88 -1.08 0.00 0.00 178.44 179.41 1jfj h TYR 81 N -0.42 0.55 -0.18 1.13 -1.99 -0.68 0.63 116.97 116.01 1jfj h TYR 81 Ca 0.00 0.02 -0.20 0.00 2.00 0.00 0.00 58.73 60.55 1jfj h TYR 81 Cb 0.39 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 38.96 1jfj h TYR 81 CO -0.15 0.08 -0.68 -0.22 -0.00 0.00 0.00 178.16 177.20 1jfj h LYS 82 N 0.36 0.71 -0.56 4.88 3.11 0.17 -2.64 116.57 122.60 1jfj h LYS 82 Ca 0.55 -0.52 -0.08 0.00 -2.81 0.00 0.00 60.65 57.78 1jfj h LYS 82 Cb 1.46 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 32.76 1jfj h LYS 82 CO -0.22 1.14 0.02 1.25 -2.81 0.00 0.00 179.45 178.83 1jfj h LEU 83 N 0.51 0.90 0.28 5.20 6.46 0.21 -3.05 115.31 125.82 1jfj h LEU 83 Ca -0.02 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.50 1jfj h LEU 83 Cb 1.28 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.97 1jfj h LEU 83 CO 0.14 0.95 -0.15 0.24 -0.62 0.00 0.00 178.44 179.00 1jfj h MET 84 N 0.87 -0.38 -5.68 1.25 2.86 -0.35 -3.37 114.93 110.13 1jfj h MET 84 Ca 0.17 0.03 -0.31 0.00 -2.06 0.00 0.00 59.70 57.52 1jfj h MET 84 Cb 0.48 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1jfj h MET 84 CO 0.02 -0.26 0.92 0.34 1.06 0.00 0.00 176.91 178.99 1jfj s ASP 85 N -4.84 4.73 0.00 1.22 2.15 -1.01 -4.69 116.67 114.23 1jfj s ASP 85 Ca -0.15 0.12 0.26 0.00 0.43 0.00 0.00 52.55 53.21 1jfj s ASP 85 Cb 0.05 -2.54 0.60 0.00 -0.30 0.00 0.00 42.92 40.74 1jfj s ASP 85 CO 0.64 -2.95 1.47 0.55 -0.17 0.00 0.00 175.17 174.71 1jfj n VAL 86 N 7.94 0.00 0.16 1.11 3.14 -1.26 -3.75 118.33 125.67 1jfj n VAL 86 Ca 0.36 -0.13 0.01 0.00 -2.96 0.00 0.00 64.34 61.62 1jfj n VAL 86 Cb 0.49 0.51 0.25 0.00 -1.06 0.00 0.00 33.84 34.03 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 1.22 0.00 -3.27 6.55 5.19 -1.95 -3.48 116.42 120.67 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 0.54 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1jfj h ASP 87 CO 0.00 0.51 -0.04 0.61 -3.12 0.00 0.00 179.24 177.21 1jfj n GLY 88 N 0.16 -0.62 1.57 2.75 0.00 -1.25 -5.03 105.19 102.78 1jfj n GLY 88 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.72 0.00 -0.01 1.61 5.68 -1.26 -5.06 116.55 116.78 1jfj n ASP 89 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.30 1jfj n ASP 89 Cb 0.23 0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 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 0.81 1.56 3.30 6.12 0.00 -1.26 -5.11 105.19 110.62 1jfj n GLY 90 Ca 0.00 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.79 0.89 0.12 1.61 0.00 -1.26 -3.86 119.74 116.45 1jfj s LYS 91 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 55.97 55.62 1jfj s LYS 91 Cb 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 37.83 38.18 1jfj s LYS 91 CO 0.00 -0.30 -0.08 -0.51 0.00 0.00 0.00 175.35 174.46 1jfj s LEU 92 N -1.98 2.52 0.00 2.77 1.02 -0.55 -4.95 118.68 117.51 1jfj s LEU 92 Ca -0.06 -1.00 0.00 0.00 0.02 0.00 0.00 54.13 53.09 1jfj s LEU 92 Cb -0.01 -0.20 -0.00 0.00 0.02 0.00 0.00 46.19 46.00 1jfj s LEU 92 CO -0.02 -0.40 0.00 0.35 0.02 0.00 0.00 176.35 176.30 1jfj n THR 93 N -0.09 0.00 0.13 5.49 -2.24 -1.26 0.21 114.28 116.53 1jfj n THR 93 Ca -0.11 -1.83 -0.01 0.00 -2.27 0.00 0.00 64.05 59.83 1jfj n THR 93 Cb 0.61 0.37 0.16 0.00 -2.10 0.00 0.00 70.33 69.37 1jfj n THR 93 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1jfj h LYS 94 N 0.00 0.00 -0.05 -0.78 3.11 -1.93 0.94 116.57 117.86 1jfj h LYS 94 Ca -0.32 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.32 1jfj h LYS 94 Cb 0.97 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.21 1jfj h LYS 94 CO 0.53 0.63 -0.77 1.49 -2.81 0.00 0.00 179.45 178.52 1jfj h GLU 95 N 0.00 0.60 -0.09 1.90 4.81 -1.96 0.96 114.58 120.80 1jfj h GLU 95 Ca -0.01 -0.58 -0.16 0.00 -0.13 0.00 0.00 59.36 58.47 1jfj h GLU 95 Cb 1.12 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1jfj h GLU 95 CO 0.08 1.20 -0.65 0.93 -0.73 0.00 0.00 179.01 179.84 1jfj h GLU 96 N 0.22 0.36 -0.06 1.92 5.08 -1.94 0.31 114.58 120.48 1jfj h GLU 96 Ca -0.08 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 57.94 1jfj h GLU 96 Cb 1.43 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1jfj h GLU 96 CO 0.15 0.89 -0.26 0.28 -1.00 0.00 0.00 179.01 179.07 1jfj h VAL 97 N 0.26 1.44 -0.03 3.13 2.07 -0.84 -0.20 116.25 122.07 1jfj h VAL 97 Ca -0.01 -1.70 -0.11 0.00 0.82 0.00 0.00 66.70 65.71 1jfj h VAL 97 Cb 1.20 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 1jfj h VAL 97 CO 0.11 0.48 -0.47 0.74 0.02 0.00 0.00 177.57 178.45 1jfj h THR 98 N -0.25 1.34 -0.16 2.57 2.02 -0.80 -0.78 112.91 116.84 1jfj h THR 98 Ca -0.02 -1.63 -0.14 0.00 0.77 0.00 0.00 66.41 65.39 1jfj h THR 98 Cb 0.91 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1jfj h THR 98 CO 0.05 0.47 -0.46 -1.28 0.37 0.00 0.00 175.52 174.67 1jfj h SER 99 N 0.07 0.68 -0.54 4.18 0.87 -0.35 0.12 113.55 118.57 1jfj h SER 99 Ca 0.00 -0.59 -0.10 0.00 -1.23 0.00 0.00 61.79 59.87 1jfj h SER 99 Cb 0.85 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 1jfj h SER 99 CO 0.06 1.15 -0.06 -0.26 -0.53 0.00 0.00 176.83 177.19 1jfj h PHE 100 N 0.24 1.11 -0.00 2.24 0.04 -0.88 -2.89 116.94 116.80 1jfj h PHE 100 Ca -0.01 -0.22 -0.15 0.00 2.80 0.00 0.00 57.97 60.39 1jfj h PHE 100 Cb 1.08 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 1jfj h PHE 100 CO 0.10 1.02 -0.72 0.74 -0.60 0.00 0.00 178.31 178.85 1jfj h PHE 101 N 0.88 0.01 -1.08 -0.55 0.04 -1.16 -3.15 116.94 111.93 1jfj h PHE 101 Ca 0.15 -0.00 0.36 0.00 2.80 0.00 0.00 57.97 61.27 1jfj h PHE 101 Cb 0.62 -0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.63 1jfj h PHE 101 CO 0.04 0.72 0.64 -0.22 -0.60 0.00 0.00 178.31 178.89 1jfj h LYS 102 N 0.00 0.22 -0.99 1.51 3.64 -0.53 1.38 116.57 121.81 1jfj h LYS 102 Ca -0.01 -0.01 0.27 0.00 -1.27 0.00 0.00 60.65 59.63 1jfj h LYS 102 Cb 1.27 -0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.90 1jfj h LYS 102 CO 0.09 0.15 0.55 0.87 -2.27 0.00 0.00 179.45 178.84 1jfj h LYS 103 N 0.23 0.44 0.03 1.90 6.56 -1.64 -0.39 116.57 123.70 1jfj h LYS 103 Ca 0.76 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 60.32 1jfj h LYS 103 Cb 1.95 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 33.51 1jfj h LYS 103 CO -0.56 0.29 -0.02 1.25 -2.06 0.00 0.00 179.45 178.36 1jfj h HIS 104 N 0.46 -0.04 0.00 -1.35 2.76 0.16 -3.48 115.15 113.65 1jfj h HIS 104 Ca 0.66 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.83 1jfj h HIS 104 Cb 1.36 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.34 1jfj h HIS 104 CO -0.03 0.63 0.00 0.41 -1.30 0.00 0.00 177.93 177.64 1jfj n GLY 105 N 1.22 1.25 3.50 5.26 0.00 -0.16 -5.04 105.19 111.22 1jfj n GLY 105 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 1.70 0.13 -0.61 3.06 -1.26 -4.63 119.36 117.75 1jfj n ILE 106 Ca 0.00 -1.72 -0.01 0.00 -2.50 0.00 0.00 62.75 58.52 1jfj n ILE 106 Cb 0.00 -2.18 0.22 0.00 0.54 0.00 0.00 39.64 38.23 1jfj n ILE 106 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 1jfj h GLU 107 N 9.57 0.09 -1.09 9.51 5.08 -1.93 -2.77 114.58 133.04 1jfj h GLU 107 Ca 0.24 -0.05 0.31 0.00 -1.00 0.00 0.00 59.36 58.85 1jfj h GLU 107 Cb 0.89 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.09 1jfj h GLU 107 CO 1.35 0.58 0.77 1.57 -1.00 0.00 0.00 179.01 182.28 1jfj h LYS 108 N 0.08 0.06 -0.89 2.33 2.10 -2.01 0.99 116.57 119.22 1jfj h LYS 108 Ca 0.00 -0.00 0.26 0.00 -2.00 0.00 0.00 60.65 58.90 1jfj h LYS 108 Cb 0.92 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 32.20 1jfj h LYS 108 CO 0.07 0.04 0.64 -0.24 -2.00 0.00 0.00 179.45 177.96 1jfj h VAL 109 N 0.06 0.56 -0.53 0.07 3.04 -1.88 0.91 116.25 118.47 1jfj h VAL 109 Ca 0.53 -0.00 -0.11 0.00 -1.01 0.00 0.00 66.70 66.11 1jfj h VAL 109 Cb 2.01 0.55 -0.02 0.00 -2.01 0.00 0.00 31.29 31.82 1jfj h VAL 109 CO -0.05 0.00 -0.09 0.00 -1.01 0.00 0.00 177.57 176.43 1jfj h ALA 110 N 1.56 0.84 -0.42 3.17 0.00 0.82 0.14 119.26 125.37 1jfj h ALA 110 Ca 0.42 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 1jfj h ALA 110 Cb 1.69 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1jfj h ALA 110 CO -0.01 0.66 -0.31 1.49 0.00 0.00 0.00 179.25 181.08 1jfj h GLU 111 N 0.88 0.95 -0.57 0.00 4.57 0.68 -0.05 114.58 121.05 1jfj h GLU 111 Ca 0.14 -0.46 -0.07 0.00 -1.18 0.00 0.00 59.36 57.80 1jfj h GLU 111 Cb 0.63 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.20 1jfj h GLU 111 CO 0.04 1.12 0.10 0.37 -1.18 0.00 0.00 179.01 179.47 1jfj h GLN 112 N 0.79 0.94 -0.28 1.92 5.75 -0.91 -0.36 115.11 122.95 1jfj h GLN 112 Ca 0.08 -0.25 -0.12 0.00 -0.15 0.00 0.00 58.65 58.22 1jfj h GLN 112 Cb 0.90 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.32 1jfj h GLN 112 CO 0.08 0.89 -0.30 0.28 -2.65 0.00 0.00 178.83 177.13 1jfj h VAL 113 N 0.84 1.28 -0.63 2.39 2.07 -0.87 0.49 116.25 121.83 1jfj h VAL 113 Ca 0.18 -1.40 -0.09 0.00 0.82 0.00 0.00 66.70 66.20 1jfj h VAL 113 Cb 0.40 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1jfj h VAL 113 CO 0.01 0.45 0.05 -0.03 0.02 0.00 0.00 177.57 178.07 1jfj h MET 114 N 0.51 1.07 -0.00 1.57 1.85 -0.60 0.31 114.93 119.64 1jfj h MET 114 Ca 0.06 -0.31 -0.16 0.00 -0.61 0.00 0.00 59.70 58.68 1jfj h MET 114 Cb 0.78 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.67 1jfj h MET 114 CO 0.06 1.01 -0.76 0.87 -0.40 0.00 0.00 176.91 177.69 1jfj h LYS 115 N 0.99 0.01 -0.31 0.39 1.79 -0.85 -3.15 116.57 115.44 1jfj h LYS 115 Ca 0.18 -0.01 -0.09 0.00 -2.18 0.00 0.00 60.65 58.55 1jfj h LYS 115 Cb 0.50 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1jfj h LYS 115 CO 0.02 0.77 -0.16 0.00 -1.08 0.00 0.00 179.45 179.00 1jfj h ALA 116 N 1.23 0.44 -0.38 3.86 0.00 -0.49 -3.36 119.26 120.55 1jfj h ALA 116 Ca -0.01 -0.34 -0.28 0.00 0.00 0.00 0.00 54.91 54.28 1jfj h ALA 116 Cb 1.35 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1jfj h ALA 116 CO 0.10 0.35 0.91 -3.47 0.00 0.00 0.00 179.25 177.14 1jfj n ASP 117 N -4.37 2.75 0.06 0.00 2.03 0.06 -4.60 116.55 112.48 1jfj n ASP 117 Ca -0.03 -2.66 -0.21 0.00 0.52 0.00 0.00 54.79 52.41 1jfj n ASP 117 Cb 0.39 -1.72 -0.15 0.00 -0.72 0.00 0.00 41.12 38.91 1jfj n ASP 117 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jfj h ALA 118 N 10.01 -0.09 -0.88 -1.67 0.00 -1.82 -3.28 119.26 121.53 1jfj h ALA 118 Ca 0.19 -0.72 0.18 0.00 0.00 0.00 0.00 54.91 54.55 1jfj h ALA 118 Cb 0.94 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 1jfj h ALA 118 CO 1.20 0.42 0.43 -2.95 0.00 0.00 0.00 179.25 178.35 1jfj h ASN 119 N -0.32 0.46 -2.04 0.00 -1.07 -1.96 -3.47 115.58 107.18 1jfj h ASN 119 Ca -0.16 0.12 0.00 0.00 0.07 0.00 0.00 56.30 56.33 1jfj h ASN 119 Cb 1.70 0.06 0.00 0.00 -2.07 0.00 0.00 38.32 38.01 1jfj h ASN 119 CO 0.16 0.13 0.00 0.61 0.07 0.00 0.00 177.43 178.40 1jfj n GLY 120 N -1.33 -1.85 0.04 9.14 0.00 -1.24 -5.07 105.19 104.89 1jfj n GLY 120 Ca 0.20 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.07 1.61 5.75 -1.26 -5.01 116.55 117.57 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 0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 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 -0.71 1.26 3.40 6.12 0.00 -1.26 -5.10 105.19 108.91 1jfj n GLY 122 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.14 -0.47 0.35 1.61 2.02 -1.26 -4.03 117.35 113.44 1jfj s TYR 123 Ca 0.00 0.35 -0.06 0.00 -0.37 0.00 0.00 57.07 56.99 1jfj s TYR 123 Cb 0.00 0.45 0.01 0.00 -0.40 0.00 0.00 41.96 42.02 1jfj s TYR 123 CO 0.00 -0.76 0.55 0.96 -1.57 0.00 0.00 175.55 174.73 1jfj s ILE 124 N -3.28 0.00 0.27 2.71 -4.36 0.13 -4.95 121.20 111.72 1jfj s ILE 124 Ca -0.01 -1.44 0.05 0.00 -0.26 0.00 0.00 60.65 58.99 1jfj s ILE 124 Cb -0.00 -2.67 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 1jfj s ILE 124 CO -0.09 0.00 0.18 0.35 0.24 0.00 0.00 174.94 175.62 1jfj n THR 125 N -0.55 0.00 0.03 8.37 -2.24 -1.26 -1.49 114.28 117.15 1jfj n THR 125 Ca -0.01 -1.83 -0.17 0.00 -2.27 0.00 0.00 64.05 59.76 1jfj n THR 125 Cb 0.61 0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 69.60 1jfj n THR 125 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1jfj h LEU 126 N 0.00 0.81 -0.31 3.22 3.38 -1.95 -1.41 115.31 119.04 1jfj h LEU 126 Ca -0.20 -0.60 -0.10 0.00 0.09 0.00 0.00 57.88 57.07 1jfj h LEU 126 Cb 0.91 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1jfj h LEU 126 CO 0.30 1.40 -0.18 -0.33 0.09 0.00 0.00 178.44 179.71 1jfj h GLU 127 N 0.39 0.67 -0.26 1.13 5.08 -1.97 0.23 114.58 119.85 1jfj h GLU 127 Ca -0.09 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 57.88 1jfj h GLU 127 Cb 1.56 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 1jfj h GLU 127 CO 0.18 0.90 -0.19 1.49 -1.00 0.00 0.00 179.01 180.39 1jfj h GLU 128 N 0.43 0.46 -0.07 2.33 4.81 -1.96 0.35 114.58 120.93 1jfj h GLU 128 Ca 0.06 -0.15 -0.18 0.00 -0.13 0.00 0.00 59.36 58.96 1jfj h GLU 128 Cb 0.72 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 1jfj h GLU 128 CO 0.05 0.64 -0.73 0.35 -0.73 0.00 0.00 179.01 178.59 1jfj h PHE 129 N 0.42 0.54 0.25 0.92 3.57 -1.09 0.18 116.94 121.72 1jfj h PHE 129 Ca 0.07 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 1jfj h PHE 129 Cb 0.58 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1jfj h PHE 129 CO 0.02 1.00 -0.12 1.25 -2.23 0.00 0.00 178.31 178.23 1jfj h LEU 130 N 0.27 -0.28 -1.31 0.59 6.46 -0.61 -2.20 115.31 118.22 1jfj h LEU 130 Ca -0.03 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 1jfj h LEU 130 Cb 1.31 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 41.28 1jfj h LEU 130 CO 0.13 0.20 0.44 -0.08 -0.62 0.00 0.00 178.44 178.51 1jfj h GLU 131 N -0.87 0.91 -0.16 1.25 4.81 -1.01 -0.99 114.58 118.51 1jfj h GLU 131 Ca -0.03 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1jfj h GLU 131 Cb 0.51 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1jfj h GLU 131 CO 0.06 0.61 -0.06 0.35 -0.73 0.00 0.00 179.01 179.23 1jfj h PHE 132 N 0.93 0.24 -0.17 0.92 3.57 -0.96 -2.01 116.94 119.47 1jfj h PHE 132 Ca 0.25 -0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.57 1jfj h PHE 132 Cb -0.09 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 1jfj h PHE 132 CO 0.00 0.31 -0.56 1.03 -2.23 0.00 0.00 178.31 176.86 1jfj h SER 133 N 0.23 0.58 0.00 0.41 0.87 -0.53 -3.50 113.55 111.61 1jfj h SER 133 Ca 0.05 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1jfj h SER 133 Cb 0.27 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1jfj h SER 133 CO 0.01 1.02 0.00 0.18 -0.53 0.00 0.00 176.83 177.51