#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 0.26 -1.85 -5.12 0.00 -2.08 0.41 119.26 110.88 1jfj h ALA 2 Ca 0.00 0.18 0.54 0.00 0.00 0.00 0.00 54.91 55.62 1jfj h ALA 2 Cb 0.00 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1jfj h ALA 2 CO 0.00 -0.47 1.34 1.05 0.00 0.00 0.00 179.25 181.17 1jfj h GLU 3 N -0.03 0.00 -0.14 0.00 4.11 -2.01 1.46 114.58 117.97 1jfj h GLU 3 Ca 0.22 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.66 1jfj h GLU 3 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1jfj h GLU 3 CO -0.49 0.00 0.07 0.00 0.07 0.00 0.00 179.01 178.66 1jfj h ALA 4 N 1.06 0.16 -0.91 1.06 0.00 -0.62 -2.82 119.26 117.19 1jfj h ALA 4 Ca 0.88 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.88 1jfj h ALA 4 Cb 3.55 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 21.21 1jfj h ALA 4 CO -0.01 -0.37 -0.57 -0.07 0.00 0.00 0.00 179.25 178.23 1jfj h LEU 5 N 0.15 -2.08 -1.45 0.00 3.38 0.20 1.60 115.31 117.11 1jfj h LEU 5 Ca 0.05 0.31 0.30 0.00 0.09 0.00 0.00 57.88 58.63 1jfj h LEU 5 Cb 0.01 0.91 -0.09 0.00 0.09 0.00 0.00 40.66 41.58 1jfj h LEU 5 CO -0.04 -0.25 0.71 0.15 0.09 0.00 0.00 178.44 179.11 1jfj h PHE 6 N -0.05 0.56 -0.02 1.13 3.57 -1.55 1.43 116.94 122.01 1jfj h PHE 6 Ca 0.15 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.51 1jfj h PHE 6 Cb 0.42 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1jfj h PHE 6 CO -0.99 0.02 -0.70 -0.22 -2.23 0.00 0.00 178.31 174.19 1jfj h LYS 7 N 0.30 0.10 0.51 1.11 3.11 0.23 -3.11 116.57 118.82 1jfj h LYS 7 Ca 0.62 -0.09 -0.03 0.00 -2.81 0.00 0.00 60.65 58.35 1jfj h LYS 7 Cb 1.74 0.02 0.01 0.00 -1.00 0.00 0.00 32.23 32.99 1jfj h LYS 7 CO -0.28 0.76 -0.25 1.49 -2.81 0.00 0.00 179.45 178.37 1jfj h GLU 8 N 0.07 -0.66 -1.60 1.90 4.81 0.61 -3.05 114.58 116.66 1jfj h GLU 8 Ca -0.01 0.05 0.48 0.00 -0.13 0.00 0.00 59.36 59.74 1jfj h GLU 8 Cb 1.24 0.15 -0.09 0.00 0.63 0.00 0.00 28.75 30.68 1jfj h GLU 8 CO 0.10 -0.44 1.13 0.97 -0.73 0.00 0.00 179.01 180.03 1jfj h ILE 9 N -1.16 0.14 -0.08 2.32 6.09 -0.90 -2.77 117.51 121.13 1jfj h ILE 9 Ca -0.07 -0.01 -0.67 0.00 -1.37 0.00 0.00 64.86 62.74 1jfj h ILE 9 Cb 0.53 0.10 -0.01 0.00 0.47 0.00 0.00 36.82 37.91 1jfj h ILE 9 CO 0.12 0.01 2.68 -0.67 -3.07 0.00 0.00 178.15 177.21 1jfj n ASP 10 N -4.22 3.43 0.12 2.19 -0.08 -1.15 -4.58 116.55 112.27 1jfj n ASP 10 Ca 0.38 -2.78 -0.03 0.00 -1.51 0.00 0.00 54.79 50.85 1jfj n ASP 10 Cb 1.66 -1.48 0.15 0.00 2.34 0.00 0.00 41.12 43.80 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 4.38 1.43 0.00 5.18 2.07 -1.73 -2.60 116.25 124.98 1jfj h VAL 11 Ca 0.49 -2.11 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 1jfj h VAL 11 Cb 0.68 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.57 1jfj h VAL 11 CO 1.86 0.61 -0.06 -0.55 0.02 0.00 0.00 177.57 179.44 1jfj h ASN 12 N 0.05 0.00 -3.09 0.57 -1.07 -1.90 -3.47 115.58 106.67 1jfj h ASN 12 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.36 1jfj h ASN 12 Cb 1.12 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.36 1jfj h ASN 12 CO 0.09 0.06 -0.06 0.61 0.07 0.00 0.00 177.43 178.20 1jfj n GLY 13 N -1.12 -2.98 1.59 9.14 0.00 -0.98 -5.06 105.19 105.78 1jfj n GLY 13 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.06 0.00 0.00 1.61 -0.08 -1.26 -5.03 116.55 111.85 1jfj n ASP 14 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1jfj n ASP 14 Cb 0.02 0.26 0.00 0.00 2.34 0.00 0.00 41.12 43.74 1jfj n ASP 14 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1jfj n GLY 15 N -0.47 0.50 3.45 0.27 0.00 -1.26 -5.06 105.19 102.62 1jfj n GLY 15 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.20 2.58 0.39 4.61 0.00 -1.26 -3.52 121.76 122.36 1jfj s ALA 16 Ca 0.00 -1.86 0.07 0.00 0.00 0.00 0.00 51.96 50.17 1jfj s ALA 16 Cb 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 23.12 22.89 1jfj s ALA 16 CO 0.00 0.17 0.01 0.08 0.00 0.00 0.00 175.76 176.02 1jfj s VAL 17 N -2.67 1.91 0.33 0.00 1.01 0.15 -4.95 120.40 116.18 1jfj s VAL 17 Ca 0.29 -2.02 0.04 0.00 0.00 0.00 0.00 61.98 60.30 1jfj s VAL 17 Cb -0.02 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.38 1jfj s VAL 17 CO 0.13 -0.02 0.19 -0.94 0.00 0.00 0.00 175.10 174.46 1jfj s SER 18 N -3.67 1.81 0.22 3.32 1.04 -1.26 0.79 113.70 115.94 1jfj s SER 18 Ca 0.35 -1.64 -0.08 0.00 0.48 0.00 0.00 55.95 55.06 1jfj s SER 18 Cb 0.09 0.47 0.28 0.00 0.10 0.00 0.00 66.02 66.97 1jfj s SER 18 CO 0.18 -0.95 1.83 0.22 0.98 0.00 0.00 173.24 175.49 1jfj h TYR 19 N 2.11 0.81 0.00 5.02 3.20 -1.90 1.78 116.97 128.00 1jfj h TYR 19 Ca -0.31 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.38 1jfj h TYR 19 Cb 1.25 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1jfj h TYR 19 CO 1.34 0.40 -0.89 0.93 -1.64 0.00 0.00 178.16 178.29 1jfj h GLU 20 N 0.80 0.24 -0.11 1.82 5.08 -1.97 -1.46 114.58 118.99 1jfj h GLU 20 Ca 0.33 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 1jfj h GLU 20 Cb 0.18 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1jfj h GLU 20 CO -0.18 0.99 -0.43 1.49 -1.00 0.00 0.00 179.01 179.88 1jfj h GLU 21 N 0.13 0.49 -0.27 2.33 4.81 -1.70 0.23 114.58 120.60 1jfj h GLU 21 Ca -0.05 -0.38 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 1jfj h GLU 21 Cb 1.53 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.97 1jfj h GLU 21 CO 0.14 1.00 0.06 -0.24 -0.73 0.00 0.00 179.01 179.24 1jfj h VAL 22 N 0.09 1.22 -0.15 0.32 3.04 0.26 0.44 116.25 121.47 1jfj h VAL 22 Ca -0.02 -0.74 -0.09 0.00 -1.01 0.00 0.00 66.70 64.84 1jfj h VAL 22 Cb 1.06 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.51 1jfj h VAL 22 CO 0.09 0.24 -0.31 0.07 -1.01 0.00 0.00 177.57 176.65 1jfj h LYS 23 N 0.27 0.29 -0.33 4.17 5.09 -1.30 -1.41 116.57 123.35 1jfj h LYS 23 Ca 0.08 -0.11 -0.17 0.00 0.09 0.00 0.00 60.65 60.54 1jfj h LYS 23 Cb 0.30 -0.02 -0.00 0.00 0.10 0.00 0.00 32.23 32.62 1jfj h LYS 23 CO 0.00 0.57 -0.46 0.00 -2.09 0.00 0.00 179.45 177.47 1jfj h ALA 24 N 1.43 0.55 0.79 0.07 0.00 -0.09 -0.81 119.26 121.20 1jfj h ALA 24 Ca 0.03 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1jfj h ALA 24 Cb 0.68 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1jfj h ALA 24 CO 0.05 0.68 -0.38 0.35 0.00 0.00 0.00 179.25 179.95 1jfj h PHE 25 N 0.70 -0.98 -0.80 0.00 3.04 0.26 -2.98 116.94 116.18 1jfj h PHE 25 Ca 0.04 -0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.06 1jfj h PHE 25 Cb 1.06 0.32 -0.07 0.00 2.56 0.00 0.00 35.95 39.82 1jfj h PHE 25 CO 0.06 -0.60 0.45 -0.24 -2.02 0.00 0.00 178.31 175.97 1jfj h VAL 26 N -1.21 0.90 -1.21 1.41 3.04 -1.34 0.58 116.25 118.43 1jfj h VAL 26 Ca -0.11 -0.26 0.37 0.00 -1.01 0.00 0.00 66.70 65.69 1jfj h VAL 26 Cb 0.82 0.08 -0.11 0.00 -2.01 0.00 0.00 31.29 30.07 1jfj h VAL 26 CO 0.18 0.14 0.78 -1.28 -1.01 0.00 0.00 177.57 176.38 1jfj h SER 27 N 0.76 0.31 -1.53 3.17 0.87 -1.03 0.95 113.55 117.05 1jfj h SER 27 Ca 0.38 0.11 0.44 0.00 -1.23 0.00 0.00 61.79 61.50 1jfj h SER 27 Cb 0.35 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.33 1jfj h SER 27 CO -0.25 -0.07 1.14 0.50 -0.53 0.00 0.00 176.83 177.63 1jfj h LYS 28 N 0.20 0.00 0.00 2.24 3.64 -0.73 -1.66 116.57 120.27 1jfj h LYS 28 Ca 0.72 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.10 1jfj h LYS 28 Cb 2.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.97 1jfj h LYS 28 CO -0.35 0.00 0.00 1.17 -2.27 0.00 0.00 179.45 178.00 1jfj n LYS 29 N -3.97 0.00 -2.15 1.90 4.81 0.33 -5.02 118.16 114.05 1jfj n LYS 29 Ca 0.34 0.23 -0.02 0.00 -0.87 0.00 0.00 58.31 58.00 1jfj n LYS 29 Cb 1.62 -0.87 -0.00 0.00 0.02 0.00 0.00 35.03 35.79 1jfj n LYS 29 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1jfj n ARG 30 N -1.20 1.13 -2.73 1.64 5.12 -0.62 -5.09 116.66 114.90 1jfj n ARG 30 Ca 0.00 -0.22 -0.09 0.00 -1.93 0.00 0.00 57.85 55.61 1jfj n ARG 30 Cb 0.00 0.10 0.06 0.00 -1.16 0.00 0.00 32.46 31.46 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 -2.88 2.21 -0.06 7.54 0.00 -1.26 -4.35 120.51 121.70 1jfj n ALA 31 Ca -0.01 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 51.02 1jfj n ALA 31 Cb 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.18 0.00 -2.34 0.00 2.08 -1.26 -4.88 119.36 112.78 1jfj n ILE 32 Ca 0.06 0.26 -0.01 0.00 0.56 0.00 0.00 62.75 63.62 1jfj n ILE 32 Cb 0.80 -1.25 0.07 0.00 -0.75 0.00 0.00 39.64 38.52 1jfj n ILE 32 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1jfj n LYS 33 N -2.43 1.33 -0.01 0.38 5.02 -1.26 -4.84 118.16 116.35 1jfj n LYS 33 Ca 0.00 -3.00 -0.12 0.00 -2.02 0.00 0.00 58.31 53.17 1jfj n LYS 33 Cb 0.00 -1.11 -0.08 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.62 0.08 -0.83 4.39 -1.07 -1.90 0.98 115.58 118.86 1jfj h ASN 34 Ca -0.07 -0.27 -0.03 0.00 0.07 0.00 0.00 56.30 55.99 1jfj h ASN 34 Cb 1.49 -0.02 -0.04 0.00 -2.07 0.00 0.00 38.32 37.68 1jfj h ASN 34 CO 0.20 0.33 0.39 1.05 0.07 0.00 0.00 177.43 179.47 1jfj h GLU 35 N -0.17 1.20 0.46 4.14 -0.00 -1.88 0.30 114.58 118.63 1jfj h GLU 35 Ca 0.01 -0.18 -0.02 0.00 -0.00 0.00 0.00 59.36 59.17 1jfj h GLU 35 Cb 0.29 -0.21 0.00 0.00 -0.00 0.00 0.00 28.75 28.83 1jfj h GLU 35 CO 0.00 0.93 -0.22 0.37 -0.00 0.00 0.00 179.01 180.09 1jfj h GLN 36 N 1.19 -0.60 -0.07 1.06 5.75 -1.87 -0.06 115.11 120.50 1jfj h GLN 36 Ca 0.28 0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.86 1jfj h GLN 36 Cb 0.13 0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.76 1jfj h GLN 36 CO -0.03 -0.39 -0.42 1.25 -2.65 0.00 0.00 178.83 176.58 1jfj h LEU 37 N -1.16 -1.29 0.14 -2.39 6.46 0.10 0.72 115.31 117.89 1jfj h LEU 37 Ca -0.06 0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1jfj h LEU 37 Cb 0.48 0.51 -0.04 0.00 -0.73 0.00 0.00 40.66 40.89 1jfj h LEU 37 CO 0.10 -0.44 -0.47 0.25 -0.62 0.00 0.00 178.44 177.27 1jfj h LEU 38 N -0.53 -1.39 -0.99 2.25 7.12 -0.50 0.47 115.31 121.75 1jfj h LEU 38 Ca 0.06 0.14 0.32 0.00 0.13 0.00 0.00 57.88 58.54 1jfj h LEU 38 Cb 0.64 0.51 -0.18 0.00 -0.53 0.00 0.00 40.66 41.10 1jfj h LEU 38 CO -0.36 -0.50 0.24 -0.61 -0.13 0.00 0.00 178.44 177.08 1jfj h GLN 39 N -0.69 0.03 0.91 1.25 4.15 -0.52 0.52 115.11 120.76 1jfj h GLN 39 Ca -0.01 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 1jfj h GLN 39 Cb 0.68 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.37 1jfj h GLN 39 CO -0.23 0.02 -0.44 1.25 -1.93 0.00 0.00 178.83 177.50 1jfj h LEU 40 N 0.03 -1.04 -0.18 -2.39 5.85 0.70 0.14 115.31 118.43 1jfj h LEU 40 Ca 0.69 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.48 1jfj h LEU 40 Cb 1.60 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 42.83 1jfj h LEU 40 CO -0.84 -0.69 -0.53 0.40 -0.34 0.00 0.00 178.44 176.44 1jfj h ILE 41 N -1.33 0.00 -0.28 4.05 1.08 0.16 0.46 117.51 121.66 1jfj h ILE 41 Ca -0.13 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.39 1jfj h ILE 41 Cb 0.94 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.61 1jfj h ILE 41 CO 0.21 0.00 -0.53 0.15 -0.69 0.00 0.00 178.15 177.29 1jfj h PHE 42 N -0.53 -1.59 -0.93 1.37 3.04 -0.17 0.22 116.94 118.34 1jfj h PHE 42 Ca 0.04 0.07 0.28 0.00 3.98 0.00 0.00 57.97 62.33 1jfj h PHE 42 Cb 0.64 0.73 -0.15 0.00 2.56 0.00 0.00 35.95 39.73 1jfj h PHE 42 CO -0.61 -0.51 0.33 0.87 -2.02 0.00 0.00 178.31 176.37 1jfj h LYS 43 N -0.47 0.20 -0.70 1.11 1.57 -0.08 1.86 116.57 120.06 1jfj h LYS 43 Ca 0.06 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1jfj h LYS 43 Cb 0.63 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.87 1jfj h LYS 43 CO -0.52 0.13 0.24 0.77 -0.57 0.00 0.00 179.45 179.51 1jfj h SER 44 N 0.21 0.98 0.25 0.86 0.02 0.15 -3.22 113.55 112.81 1jfj h SER 44 Ca 0.63 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.40 1jfj h SER 44 Cb 1.36 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1jfj h SER 44 CO -0.68 0.90 -0.12 0.40 -1.14 0.00 0.00 176.83 176.19 1jfj h ILE 45 N 1.02 0.00 -0.23 3.27 2.04 0.44 -3.44 117.51 120.61 1jfj h ILE 45 Ca 0.23 -0.73 -0.64 0.00 1.00 0.00 0.00 64.86 64.72 1jfj h ILE 45 Cb 0.25 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.28 1jfj h ILE 45 CO -0.01 0.00 1.51 -0.67 0.00 0.00 0.00 178.15 178.98 1jfj n ASP 46 N -4.95 0.85 -0.09 1.72 2.03 0.51 -4.72 116.55 111.89 1jfj n ASP 46 Ca -0.04 0.39 -0.13 0.00 0.52 0.00 0.00 54.79 55.53 1jfj n ASP 46 Cb 0.13 -0.99 -0.14 0.00 -0.72 0.00 0.00 41.12 39.40 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 9.40 1.44 -0.03 -1.67 0.00 -1.26 -4.49 120.51 123.89 1jfj n ALA 47 Ca 0.56 -1.16 -0.18 0.00 0.00 0.00 0.00 53.44 52.67 1jfj n ALA 47 Cb 0.05 -0.25 -0.13 0.00 0.00 0.00 0.00 19.45 19.12 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 0.17 0.00 0.00 3.04 -1.98 -3.49 116.42 114.17 1jfj h ASP 48 Ca -0.52 -0.89 0.00 0.00 -3.24 0.00 0.00 57.03 52.37 1jfj h ASP 48 Cb 2.10 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 40.33 1jfj h ASP 48 CO 0.00 1.26 0.00 0.61 -2.04 0.00 0.00 179.24 179.07 1jfj n GLY 49 N 1.62 1.89 0.22 7.15 0.00 -1.26 -4.99 105.19 109.82 1jfj n GLY 49 Ca -0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1jfj n GLY 49 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1jfj h ASN 50 N 0.00 0.00 -1.44 1.61 7.08 -1.94 -3.47 115.58 117.42 1jfj h ASN 50 Ca 0.00 0.00 -0.21 0.00 -3.08 0.00 0.00 56.30 53.01 1jfj h ASN 50 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.22 1jfj h ASN 50 CO 0.00 0.12 -0.27 0.61 -2.08 0.00 0.00 177.43 175.81 1jfj n GLY 51 N 0.66 0.02 3.32 9.14 0.00 -1.26 -5.01 105.19 112.05 1jfj n GLY 51 Ca 0.02 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.42 1.57 0.13 1.61 2.02 -1.26 -2.94 118.70 115.41 1jfj s GLU 52 Ca 0.00 -1.89 -0.10 0.00 0.02 0.00 0.00 54.97 53.00 1jfj s GLU 52 Cb 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.22 1jfj s GLU 52 CO 0.00 -0.47 0.27 0.42 0.02 0.00 0.00 175.26 175.50 1jfj s ILE 53 N -3.65 0.10 0.18 -1.63 1.01 0.24 -4.91 121.20 112.54 1jfj s ILE 53 Ca 0.36 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 59.85 1jfj s ILE 53 Cb 0.05 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 1jfj s ILE 53 CO 0.18 -0.44 0.08 -0.90 0.00 0.00 0.00 174.94 173.86 1jfj n ASP 54 N -0.15 0.74 0.12 3.58 5.68 -1.26 0.33 116.55 125.58 1jfj n ASP 54 Ca -0.12 -2.02 -0.13 0.00 -0.50 0.00 0.00 54.79 52.03 1jfj n ASP 54 Cb 0.63 0.55 -0.06 0.00 -1.14 0.00 0.00 41.12 41.10 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 -0.33 0.81 0.11 4.20 -1.97 0.69 115.11 118.62 1jfj h GLN 55 Ca -0.14 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1jfj h GLN 55 Cb 0.57 0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.43 1jfj h GLN 55 CO 0.22 -0.22 -0.39 -0.91 -0.67 0.00 0.00 178.83 176.86 1jfj h ASN 56 N -0.34 -0.92 -0.99 1.46 4.21 -1.97 0.57 115.58 117.60 1jfj h ASN 56 Ca 0.01 0.03 0.27 0.00 1.21 0.00 0.00 56.30 57.82 1jfj h ASN 56 Cb 0.34 0.24 -0.13 0.00 -1.12 0.00 0.00 38.32 37.64 1jfj h ASN 56 CO -0.06 -0.58 0.55 -0.33 -1.29 0.00 0.00 177.43 175.72 1jfj h GLU 57 N -1.24 0.44 -0.46 0.81 5.08 -1.94 0.46 114.58 117.72 1jfj h GLU 57 Ca -0.11 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 1jfj h GLU 57 Cb 0.83 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1jfj h GLU 57 CO 0.18 0.29 -0.04 0.35 -1.00 0.00 0.00 179.01 178.79 1jfj h PHE 58 N 0.45 0.92 -0.66 4.33 3.57 0.61 0.37 116.94 126.54 1jfj h PHE 58 Ca 0.67 -0.18 0.07 0.00 3.53 0.00 0.00 57.97 62.06 1jfj h PHE 58 Cb 1.37 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.82 1jfj h PHE 58 CO -0.03 0.90 0.35 0.00 -2.23 0.00 0.00 178.31 177.30 1jfj h ALA 59 N 0.90 0.88 -0.01 2.41 0.00 0.22 0.28 119.26 123.94 1jfj h ALA 59 Ca 0.12 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1jfj h ALA 59 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1jfj h ALA 59 CO 0.03 0.00 -0.79 0.87 0.00 0.00 0.00 179.25 179.37 1jfj h LYS 60 N 0.64 0.10 -0.22 0.00 6.56 -0.99 -1.39 116.57 121.26 1jfj h LYS 60 Ca 0.30 -0.10 -0.01 0.00 -1.06 0.00 0.00 60.65 59.78 1jfj h LYS 60 Cb 0.22 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 1jfj h LYS 60 CO -0.20 0.84 0.12 0.35 -2.06 0.00 0.00 179.45 178.49 1jfj h PHE 61 N 0.06 0.31 -0.02 -1.35 3.04 0.14 -2.86 116.94 116.26 1jfj h PHE 61 Ca -0.02 -0.01 -0.18 0.00 3.98 0.00 0.00 57.97 61.73 1jfj h PHE 61 Cb 1.38 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.78 1jfj h PHE 61 CO 0.01 0.29 -0.79 -0.92 -2.02 0.00 0.00 178.31 174.88 1jfj h TYR 62 N 0.24 0.34 0.00 0.41 5.03 -0.54 -3.40 116.97 119.05 1jfj h TYR 62 Ca 0.08 -0.17 0.00 0.00 2.58 0.00 0.00 58.73 61.22 1jfj h TYR 62 Cb 0.08 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.32 1jfj h TYR 62 CO -0.03 0.93 0.00 0.41 -1.32 0.00 0.00 178.16 178.15 1jfj n GLY 63 N 0.68 -1.48 2.67 1.82 0.00 -0.53 -4.90 105.19 103.45 1jfj n GLY 63 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.94 1jfj n GLY 63 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jfj n SER 64 N 0.00 -1.33 -2.36 1.61 2.88 -1.16 -5.01 113.62 108.25 1jfj n SER 64 Ca 0.00 -1.98 -0.31 0.00 -1.33 0.00 0.00 58.87 55.24 1jfj n SER 64 Cb 0.00 1.16 0.04 0.00 -0.75 0.00 0.00 64.21 64.66 1jfj n SER 64 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jfj n ILE 65 N 0.03 3.12 -5.25 2.46 0.13 -1.14 -4.96 119.36 113.75 1jfj n ILE 65 Ca -0.13 -3.83 -0.31 0.00 -1.10 0.00 0.00 62.75 57.38 1jfj n ILE 65 Cb 0.72 -1.18 -0.17 0.00 -0.84 0.00 0.00 39.64 38.17 1jfj n ILE 65 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1jfj s GLN 66 N -3.76 2.65 -0.04 9.51 1.03 -1.26 -4.52 119.66 123.27 1jfj s GLN 66 Ca 0.56 -0.89 -0.29 0.00 0.04 0.00 0.00 55.36 54.78 1jfj s GLN 66 Cb 0.45 -2.18 0.09 0.00 0.03 0.00 0.00 33.01 31.40 1jfj s GLN 66 CO -0.09 0.33 0.76 0.20 -2.54 0.00 0.00 175.29 173.95 1jfj s GLY 67 N -0.04 -0.51 -0.21 2.60 0.00 -1.26 -5.12 107.32 102.78 1jfj s GLY 67 Ca -0.07 1.31 -0.18 0.00 0.00 0.00 0.00 44.72 45.79 1jfj s GLY 67 CO 0.05 0.79 0.55 1.62 0.00 0.00 0.00 173.10 176.10 1jfj s GLN 68 N -1.76 0.62 0.22 2.90 0.74 -1.26 -4.82 119.66 116.29 1jfj s GLN 68 Ca -0.06 0.81 -0.05 0.00 0.05 0.00 0.00 55.36 56.12 1jfj s GLN 68 Cb -0.00 0.25 -0.03 0.00 1.10 0.00 0.00 33.01 34.33 1jfj s GLN 68 CO 0.03 -0.09 0.26 0.16 -0.55 0.00 0.00 175.29 175.09 1jfj s ASP 69 N 0.57 0.14 -0.40 6.67 -4.77 -1.26 -5.07 116.67 112.54 1jfj s ASP 69 Ca -0.02 -1.25 0.09 0.00 -3.30 0.00 0.00 52.55 48.06 1jfj s ASP 69 Cb -0.05 0.46 0.43 0.00 -1.09 0.00 0.00 42.92 42.68 1jfj s ASP 69 CO -0.03 -0.96 1.07 0.18 0.70 0.00 0.00 175.17 176.13 1jfj n LEU 70 N -0.33 3.81 -0.10 2.11 7.99 -1.26 -4.82 117.00 124.41 1jfj n LEU 70 Ca 0.01 -4.77 -0.14 0.00 -0.01 0.00 0.00 56.01 51.11 1jfj n LEU 70 Cb 0.64 -0.20 -0.04 0.00 -0.11 0.00 0.00 43.42 43.71 1jfj n LEU 70 CO 0.29 2.04 0.52 -1.28 -1.51 0.00 0.00 177.39 177.44 1jfj h SER 71 N 2.67 0.90 -1.26 -1.43 0.87 -2.00 -2.80 113.55 110.50 1jfj h SER 71 Ca 0.19 -0.49 0.37 0.00 -1.23 0.00 0.00 61.79 60.62 1jfj h SER 71 Cb 1.02 -0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 62.67 1jfj h SER 71 CO 0.74 1.21 0.91 -0.78 -0.53 0.00 0.00 176.83 178.38 1jfj h ASP 72 N 0.61 0.01 0.20 6.23 3.58 -1.95 1.49 116.42 126.60 1jfj h ASP 72 Ca 0.04 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1jfj h ASP 72 Cb 1.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1jfj h ASP 72 CO 0.10 0.00 -0.10 -0.78 -2.88 0.00 0.00 179.24 175.58 1jfj h ASP 73 N 0.01 -0.23 -0.07 2.28 1.82 -1.89 1.29 116.42 119.63 1jfj h ASP 73 Ca 0.60 -0.09 -0.22 0.00 -0.39 0.00 0.00 57.03 56.93 1jfj h ASP 73 Cb 2.40 0.06 0.01 0.00 0.68 0.00 0.00 39.33 42.48 1jfj h ASP 73 CO -0.01 -0.05 -0.83 0.11 -1.61 0.00 0.00 179.24 176.85 1jfj h LYS 74 N -0.40 0.69 0.00 0.28 1.57 -0.04 -2.98 116.57 115.68 1jfj h LYS 74 Ca -0.03 -0.64 -0.04 0.00 -1.87 0.00 0.00 60.65 58.07 1jfj h LYS 74 Cb 0.31 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1jfj h LYS 74 CO 0.05 1.24 -0.17 0.82 -0.57 0.00 0.00 179.45 180.82 1jfj h ILE 75 N 0.36 1.11 0.43 1.86 2.04 0.18 0.06 117.51 123.55 1jfj h ILE 75 Ca -0.08 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1jfj h ILE 75 Cb 1.48 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1jfj h ILE 75 CO 0.17 0.17 -0.21 1.23 0.00 0.00 0.00 178.15 179.51 1jfj h GLY 76 N 0.52 -0.60 1.99 5.37 0.00 0.18 0.56 103.07 111.09 1jfj h GLY 76 Ca -0.00 0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.50 1jfj h GLY 76 CO 0.02 -0.22 -0.24 -2.00 0.00 0.00 0.00 176.54 174.10 1jfj h LEU 77 N -0.77 0.01 -0.42 3.11 7.12 -1.36 -1.21 115.31 121.80 1jfj h LEU 77 Ca -0.06 -0.00 -0.05 0.00 0.13 0.00 0.00 57.88 57.90 1jfj h LEU 77 Cb 0.53 -0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.64 1jfj h LEU 77 CO 0.10 0.26 0.07 0.50 -0.13 0.00 0.00 178.44 179.24 1jfj h LYS 78 N 0.01 0.69 0.25 1.25 1.63 -0.74 -0.30 116.57 119.36 1jfj h LYS 78 Ca -0.00 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 1jfj h LYS 78 Cb 0.44 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1jfj h LYS 78 CO 0.03 0.72 -0.12 0.28 -3.45 0.00 0.00 179.45 176.91 1jfj h VAL 79 N 0.54 0.80 -0.45 2.00 2.07 -0.28 0.49 116.25 121.42 1jfj h VAL 79 Ca 0.13 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.33 1jfj h VAL 79 Cb 0.37 1.03 -0.09 0.00 -1.52 0.00 0.00 31.29 31.08 1jfj h VAL 79 CO 0.01 0.09 -0.21 0.25 0.02 0.00 0.00 177.57 177.72 1jfj h LEU 80 N -0.56 -0.74 -1.42 2.57 5.85 -1.17 0.39 115.31 120.24 1jfj h LEU 80 Ca -0.03 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1jfj h LEU 80 Cb 0.41 0.40 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1jfj h LEU 80 CO 0.06 -0.24 0.40 1.88 -0.34 0.00 0.00 178.44 180.19 1jfj h TYR 81 N -0.12 0.75 -0.17 1.25 -1.99 -0.93 0.07 116.97 115.82 1jfj h TYR 81 Ca 0.21 0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.88 1jfj h TYR 81 Cb 0.46 -0.25 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1jfj h TYR 81 CO -0.47 0.47 -0.25 -0.22 -0.00 0.00 0.00 178.16 177.68 1jfj h LYS 82 N 0.80 0.32 -0.20 4.88 3.11 0.18 -2.62 116.57 123.04 1jfj h LYS 82 Ca 0.22 -0.11 -0.17 0.00 -2.81 0.00 0.00 60.65 57.78 1jfj h LYS 82 Cb -0.08 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.13 1jfj h LYS 82 CO -0.05 0.56 -0.53 1.25 -2.81 0.00 0.00 179.45 177.87 1jfj h LEU 83 N 0.29 0.81 -0.63 5.20 5.85 0.12 -3.18 115.31 123.77 1jfj h LEU 83 Ca 0.04 -0.57 0.11 0.00 0.84 0.00 0.00 57.88 58.30 1jfj h LEU 83 Cb 0.60 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 1jfj h LEU 83 CO 0.04 1.24 0.19 0.24 -0.34 0.00 0.00 178.44 179.81 1jfj h MET 84 N 0.43 0.32 -5.90 1.25 2.86 -0.71 -3.33 114.93 109.85 1jfj h MET 84 Ca -0.01 -0.02 -0.41 0.00 -2.06 0.00 0.00 59.70 57.20 1jfj h MET 84 Cb 1.14 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.68 1jfj h MET 84 CO 0.11 0.21 1.05 0.34 1.06 0.00 0.00 176.91 179.69 1jfj s ASP 85 N -5.33 5.41 0.00 1.22 2.15 -1.04 -4.72 116.67 114.37 1jfj s ASP 85 Ca -0.13 -0.40 0.27 0.00 0.43 0.00 0.00 52.55 52.72 1jfj s ASP 85 Cb 0.18 -2.55 0.85 0.00 -0.30 0.00 0.00 42.92 41.10 1jfj s ASP 85 CO 0.74 -2.42 1.62 0.55 -0.17 0.00 0.00 175.17 175.50 1jfj n VAL 86 N 7.43 0.00 0.16 1.11 3.14 -1.25 -3.53 118.33 125.39 1jfj n VAL 86 Ca 0.30 -0.15 0.05 0.00 -2.96 0.00 0.00 64.34 61.58 1jfj n VAL 86 Cb 0.49 0.39 0.07 0.00 -1.06 0.00 0.00 33.84 33.73 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 1.43 0.00 -4.14 6.55 5.19 -1.93 -3.48 116.42 120.04 1jfj h ASP 87 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 1jfj h ASP 87 Cb 0.50 0.00 0.08 0.00 0.18 0.00 0.00 39.33 40.08 1jfj h ASP 87 CO 0.00 0.35 -0.33 0.61 -3.12 0.00 0.00 179.24 176.76 1jfj n GLY 88 N 1.18 -0.19 0.20 2.75 0.00 -1.23 -5.00 105.19 102.90 1jfj n GLY 88 Ca 0.03 0.13 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.13 3.21 0.00 1.61 5.68 -1.26 -5.03 116.55 118.62 1jfj n ASP 89 Ca -0.03 -0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.26 1jfj n ASP 89 Cb 0.55 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 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 3.39 0.54 3.47 6.12 0.00 -1.26 -5.07 105.19 112.38 1jfj n GLY 90 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.93 1.66 0.11 1.61 -2.85 -1.26 -3.67 119.74 114.40 1jfj s LYS 91 Ca 0.00 -1.81 0.01 0.00 -1.00 0.00 0.00 55.97 53.17 1jfj s LYS 91 Cb 0.00 -1.52 -0.04 0.00 -2.06 0.00 0.00 37.83 34.21 1jfj s LYS 91 CO 0.00 0.17 -0.04 -0.51 0.10 0.00 0.00 175.35 175.08 1jfj s LEU 92 N -3.51 2.36 0.28 2.77 1.43 -0.18 -4.93 118.68 116.90 1jfj s LEU 92 Ca 0.30 -1.06 0.06 0.00 -1.03 0.00 0.00 54.13 52.40 1jfj s LEU 92 Cb 0.00 -0.00 -0.06 0.00 0.03 0.00 0.00 46.19 46.16 1jfj s LEU 92 CO 0.14 -0.53 -0.04 0.42 0.23 0.00 0.00 176.35 176.57 1jfj s THR 93 N -3.71 1.55 0.43 5.49 -4.23 -1.26 0.01 115.64 113.93 1jfj s THR 93 Ca 0.15 -2.10 0.14 0.00 -1.18 0.00 0.00 61.69 58.70 1jfj s THR 93 Cb 0.06 -2.48 0.17 0.00 1.34 0.00 0.00 72.50 71.59 1jfj s THR 93 CO -0.03 -0.27 1.96 0.07 -0.54 0.00 0.00 174.62 175.81 1jfj h LYS 94 N 2.28 0.00 -0.07 3.99 2.10 -1.85 0.19 116.57 123.21 1jfj h LYS 94 Ca -0.40 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.03 1jfj h LYS 94 Cb 1.23 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.58 1jfj h LYS 94 CO 0.67 0.21 -0.82 1.49 -2.00 0.00 0.00 179.45 179.00 1jfj h GLU 95 N 0.00 0.67 -0.29 0.07 4.81 -1.96 0.48 114.58 118.37 1jfj h GLU 95 Ca -0.00 -0.64 -0.14 0.00 -0.13 0.00 0.00 59.36 58.45 1jfj h GLU 95 Cb 0.38 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1jfj h GLU 95 CO 0.03 1.24 -0.38 1.49 -0.73 0.00 0.00 179.01 180.66 1jfj h GLU 96 N 0.34 0.66 0.37 1.92 4.81 -1.82 0.16 114.58 121.02 1jfj h GLU 96 Ca -0.08 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 58.80 1jfj h GLU 96 Cb 1.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.86 1jfj h GLU 96 CO 0.17 0.93 -0.18 0.28 -0.73 0.00 0.00 179.01 179.48 1jfj h VAL 97 N 0.55 0.17 -0.31 0.32 2.07 -0.66 -1.45 116.25 116.93 1jfj h VAL 97 Ca 0.05 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 66.97 1jfj h VAL 97 Cb 0.90 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1jfj h VAL 97 CO 0.08 0.04 0.23 0.00 0.02 0.00 0.00 177.57 177.94 1jfj h THR 98 N -1.09 0.80 0.54 2.57 1.03 -0.95 0.24 112.91 116.06 1jfj h THR 98 Ca -0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.32 1jfj h THR 98 Cb 0.45 0.84 0.01 0.00 -1.07 0.00 0.00 68.15 68.37 1jfj h THR 98 CO 0.08 0.00 -0.26 0.28 -0.01 0.00 0.00 175.52 175.61 1jfj h SER 99 N 0.00 -0.62 -0.68 0.00 0.02 -0.66 0.40 113.55 112.02 1jfj h SER 99 Ca 0.15 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 1jfj h SER 99 Cb 0.61 0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 1jfj h SER 99 CO -0.00 -0.21 0.45 -0.26 -1.14 0.00 0.00 176.83 175.66 1jfj h PHE 100 N -1.15 0.78 0.00 3.45 0.04 -0.73 -1.07 116.94 118.27 1jfj h PHE 100 Ca -0.07 0.02 -0.15 0.00 2.80 0.00 0.00 57.97 60.57 1jfj h PHE 100 Cb 0.59 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 1jfj h PHE 100 CO 0.01 0.46 -0.71 0.74 -0.60 0.00 0.00 178.31 178.20 1jfj h PHE 101 N 0.81 0.00 -1.97 -0.55 0.04 -0.54 -3.16 116.94 111.57 1jfj h PHE 101 Ca 0.27 0.00 0.57 0.00 2.80 0.00 0.00 57.97 61.62 1jfj h PHE 101 Cb 0.07 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.14 1jfj h PHE 101 CO -0.00 0.71 1.41 -0.22 -0.60 0.00 0.00 178.31 179.61 1jfj h LYS 102 N 0.00 0.00 -1.02 1.51 3.64 0.12 1.41 116.57 122.23 1jfj h LYS 102 Ca -0.01 -0.00 0.31 0.00 -1.27 0.00 0.00 60.65 59.68 1jfj h LYS 102 Cb 1.29 -0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.97 1jfj h LYS 102 CO 0.09 0.00 0.60 0.87 -2.27 0.00 0.00 179.45 178.74 1jfj h LYS 103 N 0.00 0.37 0.02 1.90 1.57 -1.67 -1.89 116.57 116.87 1jfj h LYS 103 Ca 0.94 -0.02 -0.39 0.00 -1.87 0.00 0.00 60.65 59.31 1jfj h LYS 103 Cb 3.77 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 35.94 1jfj h LYS 103 CO -0.03 0.24 -2.28 0.72 -0.57 0.00 0.00 179.45 177.53 1jfj n HIS 104 N -4.97 0.33 -0.27 -1.35 8.25 0.48 -5.02 115.22 112.67 1jfj n HIS 104 Ca 0.31 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 1jfj n HIS 104 Cb 0.95 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1jfj n HIS 104 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jfj n GLY 105 N 1.81 0.95 3.53 -1.41 0.00 -0.71 -4.99 105.19 104.37 1jfj n GLY 105 Ca -0.45 -0.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.17 2.83 -0.26 -0.61 3.06 -1.26 -4.73 119.36 116.23 1jfj n ILE 106 Ca 0.00 -2.92 0.32 0.00 -2.50 0.00 0.00 62.75 57.66 1jfj n ILE 106 Cb 0.02 -2.27 0.74 0.00 0.54 0.00 0.00 39.64 38.67 1jfj n ILE 106 CO 0.00 0.00 0.00 1.05 -2.50 0.00 0.00 176.55 175.10 1jfj h GLU 107 N 8.58 0.00 -0.60 9.51 4.11 -1.95 -1.14 114.58 133.08 1jfj h GLU 107 Ca 0.34 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.83 1jfj h GLU 107 Cb 0.89 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.04 1jfj h GLU 107 CO 1.38 0.00 -0.57 0.87 0.07 0.00 0.00 179.01 180.76 1jfj h LYS 108 N 0.00 -0.26 -1.06 1.06 1.57 -2.00 1.31 116.57 117.20 1jfj h LYS 108 Ca 0.50 0.02 0.28 0.00 -1.87 0.00 0.00 60.65 59.58 1jfj h LYS 108 Cb 2.02 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 34.31 1jfj h LYS 108 CO -0.01 -0.17 0.70 0.28 -0.57 0.00 0.00 179.45 179.69 1jfj h VAL 109 N -0.27 0.50 -0.92 0.50 2.07 -1.61 1.07 116.25 117.59 1jfj h VAL 109 Ca 0.10 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1jfj h VAL 109 Cb 0.54 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1jfj h VAL 109 CO -0.71 0.05 0.53 0.00 0.02 0.00 0.00 177.57 177.46 1jfj h ALA 110 N 1.57 1.20 -0.04 1.67 0.00 0.16 0.22 119.26 124.04 1jfj h ALA 110 Ca 0.57 -0.12 -0.17 0.00 0.00 0.00 0.00 54.91 55.19 1jfj h ALA 110 Cb 1.68 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1jfj h ALA 110 CO -0.21 0.67 -0.72 1.49 0.00 0.00 0.00 179.25 180.47 1jfj h GLU 111 N 1.28 0.21 -0.36 0.00 4.81 0.24 -0.55 114.58 120.21 1jfj h GLU 111 Ca 0.33 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 1jfj h GLU 111 Cb -0.01 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1jfj h GLU 111 CO -0.06 0.84 -0.18 1.96 -0.73 0.00 0.00 179.01 180.85 1jfj h GLN 112 N 0.14 0.76 -0.15 1.92 4.20 -0.06 -0.86 115.11 121.07 1jfj h GLN 112 Ca -0.02 -0.34 -0.18 0.00 0.06 0.00 0.00 58.65 58.18 1jfj h GLN 112 Cb 1.28 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.04 1jfj h GLN 112 CO 0.11 0.95 -0.63 -0.24 -0.67 0.00 0.00 178.83 178.35 1jfj h VAL 113 N 0.56 1.33 -0.55 -0.54 3.04 -0.57 0.37 116.25 119.89 1jfj h VAL 113 Ca 0.08 -1.92 -0.02 0.00 -1.01 0.00 0.00 66.70 63.83 1jfj h VAL 113 Cb 0.72 1.90 -0.03 0.00 -2.01 0.00 0.00 31.29 31.87 1jfj h VAL 113 CO 0.05 0.59 0.26 0.24 -1.01 0.00 0.00 177.57 177.71 1jfj h MET 114 N 0.41 0.79 -0.01 4.17 2.86 -0.96 -1.90 114.93 120.28 1jfj h MET 114 Ca -0.01 -0.12 -0.18 0.00 -2.06 0.00 0.00 59.70 57.34 1jfj h MET 114 Cb 1.20 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 1jfj h MET 114 CO 0.12 0.64 -0.80 0.87 1.06 0.00 0.00 176.91 178.80 1jfj h LYS 115 N 0.74 0.14 -0.39 1.72 1.57 -1.11 -3.19 116.57 116.05 1jfj h LYS 115 Ca 0.19 -0.14 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1jfj h LYS 115 Cb 0.12 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1jfj h LYS 115 CO -0.02 0.87 0.09 0.00 -0.57 0.00 0.00 179.45 179.82 1jfj h ALA 116 N 1.09 0.43 -0.18 3.86 0.00 -0.45 -2.77 119.26 121.23 1jfj h ALA 116 Ca -0.03 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1jfj h ALA 116 Cb 1.40 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 1jfj h ALA 116 CO 0.12 -0.31 -0.22 0.22 0.00 0.00 0.00 179.25 179.05 1jfj h ASP 117 N 0.23 -0.76 0.00 0.00 1.82 -1.34 -3.43 116.42 112.94 1jfj h ASP 117 Ca 0.19 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 1jfj h ASP 117 Cb 0.21 0.31 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1jfj h ASP 117 CO -0.23 -0.16 0.00 0.00 -1.61 0.00 0.00 179.24 177.24 1jfj n ALA 118 N -2.87 0.00 -0.32 -0.78 0.00 -1.05 -4.39 120.51 111.10 1jfj n ALA 118 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1jfj n ALA 118 Cb 0.13 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.70 1jfj n ALA 118 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1jfj h ASN 119 N 0.00 -0.85 0.00 0.00 -0.26 -1.90 -3.45 115.58 109.13 1jfj h ASN 119 Ca 0.00 0.27 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 1jfj h ASN 119 Cb 0.00 0.56 0.00 0.00 -1.06 0.00 0.00 38.32 37.82 1jfj h ASN 119 CO 0.00 -0.29 0.00 0.61 -1.06 0.00 0.00 177.43 176.69 1jfj n GLY 120 N -1.57 0.92 0.16 2.83 0.00 -1.26 -5.05 105.19 101.23 1jfj n GLY 120 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 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 1.88 0.00 1.61 5.68 -1.26 -5.04 116.55 119.41 1jfj n ASP 121 Ca 0.00 0.32 0.00 0.00 -0.50 0.00 0.00 54.79 54.61 1jfj n ASP 121 Cb 0.00 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 39.25 1jfj n ASP 121 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jfj n GLY 122 N 1.54 1.29 3.25 6.12 0.00 -1.26 -5.12 105.19 111.02 1jfj n GLY 122 Ca -0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 1jfj n GLY 122 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1jfj s TYR 123 N -0.44 1.60 0.05 1.61 1.13 -1.26 -2.43 117.35 117.60 1jfj s TYR 123 Ca 0.00 -0.44 0.01 0.00 -1.41 0.00 0.00 57.07 55.23 1jfj s TYR 123 Cb 0.00 -0.88 -0.00 0.00 -1.10 0.00 0.00 41.96 39.98 1jfj s TYR 123 CO 0.00 0.16 0.03 0.44 -2.51 0.00 0.00 175.55 173.67 1jfj n ILE 124 N 1.09 0.00 -4.31 -3.49 -5.35 0.10 -4.99 119.36 102.41 1jfj n ILE 124 Ca -0.20 -0.35 -0.16 0.00 -0.27 0.00 0.00 62.75 61.78 1jfj n ILE 124 Cb 0.54 0.15 -0.04 0.00 -1.74 0.00 0.00 39.64 38.55 1jfj n ILE 124 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1jfj n THR 125 N -0.11 0.00 -0.01 7.28 -2.24 -1.26 -1.02 114.28 116.92 1jfj n THR 125 Ca 0.00 -1.44 -0.16 0.00 -2.27 0.00 0.00 64.05 60.18 1jfj n THR 125 Cb 0.09 0.50 -0.10 0.00 -2.10 0.00 0.00 70.33 68.71 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 0.47 -0.18 3.22 3.38 -1.94 -2.13 115.31 118.13 1jfj h LEU 126 Ca -0.20 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.03 1jfj h LEU 126 Cb 0.74 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1jfj h LEU 126 CO 0.31 1.13 0.07 -0.08 0.09 0.00 0.00 178.44 179.97 1jfj h GLU 127 N -0.15 0.27 -0.77 1.13 4.81 -1.97 0.14 114.58 118.03 1jfj h GLU 127 Ca -0.05 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1jfj h GLU 127 Cb 1.19 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.47 1jfj h GLU 127 CO 0.10 0.34 0.48 1.49 -0.73 0.00 0.00 179.01 180.69 1jfj h GLU 128 N 0.14 0.89 -0.01 1.92 4.81 -1.97 0.15 114.58 120.50 1jfj h GLU 128 Ca 0.06 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1jfj h GLU 128 Cb 0.17 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1jfj h GLU 128 CO -0.00 0.59 -0.47 0.35 -0.73 0.00 0.00 179.01 178.74 1jfj h PHE 129 N 0.91 0.03 0.32 0.92 3.57 -1.11 0.02 116.94 121.59 1jfj h PHE 129 Ca 0.32 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 1jfj h PHE 129 Cb 0.08 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1jfj h PHE 129 CO -0.04 0.49 -0.15 1.25 -2.23 0.00 0.00 178.31 177.63 1jfj h LEU 130 N 0.02 -0.36 -1.56 0.59 5.85 0.63 -3.00 115.31 117.48 1jfj h LEU 130 Ca -0.00 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1jfj h LEU 130 Cb 0.84 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 1jfj h LEU 130 CO 0.06 0.08 0.30 -0.08 -0.34 0.00 0.00 178.44 178.47 1jfj h GLU 131 N -0.93 0.59 -0.28 1.25 4.57 -0.75 -0.79 114.58 118.23 1jfj h GLU 131 Ca -0.04 -0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.18 1jfj h GLU 131 Cb 0.52 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1jfj h GLU 131 CO 0.07 0.39 0.20 0.35 -1.18 0.00 0.00 179.01 178.84 1jfj h PHE 132 N 0.61 0.04 -0.72 0.92 3.57 -0.96 0.07 116.94 120.46 1jfj h PHE 132 Ca 0.17 0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.87 1jfj h PHE 132 Cb -0.06 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1jfj h PHE 132 CO -0.00 0.02 0.51 0.66 -2.23 0.00 0.00 178.31 177.27 1jfj h SER 133 N 0.04 0.05 0.00 0.41 4.64 -0.99 -3.51 113.55 114.19 1jfj h SER 133 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1jfj h SER 133 Cb 0.48 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1jfj h SER 133 CO -0.01 0.02 0.00 -0.11 -0.87 0.00 0.00 176.83 175.87