#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjd s SER 29 N 0.00 3.07 0.00 1.61 0.01 -1.26 -5.07 113.70 112.06 1fjd s SER 29 Ca 0.00 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1fjd s SER 29 Cb 0.00 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.77 1fjd s SER 29 CO 0.00 0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.56 1fjd n GLY 30 N 2.55 0.90 3.77 3.44 0.00 -1.26 -5.09 105.19 109.51 1fjd n GLY 30 Ca -0.16 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 1fjd n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fjd s PRO 31 N -1.71 4.14 0.00 1.61 0.04 -1.26 -4.92 135.00 132.91 1fjd s PRO 31 Ca 0.00 2.53 0.22 0.00 0.04 0.00 0.00 61.00 63.79 1fjd s PRO 31 Cb 0.00 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.51 1fjd s PRO 31 CO 0.00 -0.51 1.04 1.63 0.04 0.00 0.00 177.00 179.21 1fjd n LYS 32 N 0.84 0.39 0.00 4.56 5.02 -1.26 -4.96 118.16 122.75 1fjd n LYS 32 Ca 0.02 -0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.00 1fjd n LYS 32 Cb 0.39 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1fjd n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fjd n GLY 33 N 1.47 0.76 7.00 0.72 0.00 -1.26 -4.99 105.19 108.89 1fjd n GLY 33 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1fjd n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjd n GLY 34 N 0.00 -0.44 0.00 -0.02 0.00 -1.26 -4.93 105.19 98.54 1fjd n GLY 34 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1fjd n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjd n GLY 35 N 0.00 1.01 2.86 -0.02 0.00 -1.26 -4.92 105.19 102.87 1fjd n GLY 35 Ca 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.94 1fjd n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fjd n ASN 36 N 0.00 -5.80 -4.58 1.61 3.02 -1.24 -4.85 115.26 103.42 1fjd n ASN 36 Ca 0.00 0.15 -0.30 0.00 -0.03 0.00 0.00 54.58 54.40 1fjd n ASN 36 Cb 0.00 -3.83 -0.10 0.00 -0.61 0.00 0.00 39.78 35.24 1fjd n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fjd s ALA 37 N -1.54 2.97 -0.00 5.41 0.00 -1.26 -3.80 121.76 123.55 1fjd s ALA 37 Ca 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 1fjd s ALA 37 Cb 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.23 1fjd s ALA 37 CO 0.00 0.65 0.25 0.14 0.00 0.00 0.00 175.76 176.79 1fjd s VAL 38 N -1.22 0.07 -0.94 0.00 -7.23 -1.00 -1.39 120.40 108.69 1fjd s VAL 38 Ca 0.22 -0.59 -0.19 0.00 -1.81 0.00 0.00 61.98 59.60 1fjd s VAL 38 Cb -0.11 -0.60 0.12 0.00 0.56 0.00 0.00 36.38 36.35 1fjd s VAL 38 CO 0.14 -0.33 1.16 -0.75 -0.31 0.00 0.00 175.10 175.01 1fjd s LYS 39 N -1.53 3.61 0.07 4.82 2.36 0.11 -1.56 119.74 127.62 1fjd s LYS 39 Ca -0.13 -1.72 0.01 0.00 -2.55 0.00 0.00 55.97 51.58 1fjd s LYS 39 Cb -0.05 -4.96 -0.04 0.00 -1.05 0.00 0.00 37.83 31.73 1fjd s LYS 39 CO 0.02 -1.81 0.20 0.14 1.55 0.00 0.00 175.35 175.45 1fjd s VAL 40 N 2.87 5.27 0.02 4.02 -7.23 -1.13 0.30 120.40 124.52 1fjd s VAL 40 Ca 0.34 -0.46 -0.00 0.00 -1.81 0.00 0.00 61.98 60.05 1fjd s VAL 40 Cb -0.04 -3.58 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 1fjd s VAL 40 CO -0.09 0.13 -0.03 -0.13 -0.31 0.00 0.00 175.10 174.66 1fjd s ARG 41 N -2.53 0.35 -0.00 4.82 3.00 -0.24 -0.60 118.95 123.74 1fjd s ARG 41 Ca 0.34 -0.67 -0.11 0.00 0.00 0.00 0.00 55.73 55.29 1fjd s ARG 41 Cb -0.13 0.12 0.01 0.00 0.00 0.00 0.00 34.95 34.96 1fjd s ARG 41 CO 0.27 -0.06 0.21 -3.38 0.00 0.00 0.00 175.30 172.35 1fjd s HIS 42 N -1.73 -0.05 -0.06 -0.53 -3.43 -1.25 -1.05 115.29 107.19 1fjd s HIS 42 Ca -0.13 0.02 0.03 0.00 -0.80 0.00 0.00 55.06 54.18 1fjd s HIS 42 Cb -0.08 0.01 0.01 0.00 -1.43 0.00 0.00 32.58 31.09 1fjd s HIS 42 CO -0.02 -0.34 -0.15 0.42 -2.00 0.00 0.00 174.74 172.65 1fjd s ILE 43 N -1.43 1.35 0.12 -5.38 1.01 -1.13 -1.56 121.20 114.17 1fjd s ILE 43 Ca -0.14 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 59.96 1fjd s ILE 43 Cb -0.06 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1fjd s ILE 43 CO 0.02 0.40 -0.11 -0.76 0.00 0.00 0.00 174.94 174.49 1fjd s LEU 44 N 0.41 2.97 -0.51 2.97 1.43 -1.26 -1.12 118.68 123.57 1fjd s LEU 44 Ca -0.12 -0.45 0.07 0.00 -1.03 0.00 0.00 54.13 52.61 1fjd s LEU 44 Cb -0.15 -1.76 0.25 0.00 0.03 0.00 0.00 46.19 44.56 1fjd s LEU 44 CO 0.04 0.17 0.62 0.00 0.23 0.00 0.00 176.35 177.40 1fjd n GLU 46 N 1.19 -0.02 0.06 0.00 0.28 -1.26 0.40 120.64 121.28 1fjd n GLU 46 Ca 0.25 0.66 0.12 0.00 -0.16 0.00 0.00 57.16 58.03 1fjd n GLU 46 Cb 0.47 -1.25 0.05 0.00 1.43 0.00 0.00 31.44 32.14 1fjd n GLU 46 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1fjd n LYS 47 N -3.86 0.40 -1.01 3.44 5.02 -1.26 -4.93 118.16 115.96 1fjd n LYS 47 Ca 0.20 0.05 -0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1fjd n LYS 47 Cb 0.74 -1.69 -0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1fjd n LYS 47 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1fjd n HIS 48 N -2.23 0.00 0.09 2.13 8.25 1.32 -4.78 115.22 120.00 1fjd n HIS 48 Ca 0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.30 1fjd n HIS 48 Cb 0.48 -1.72 -0.14 0.00 1.12 0.00 0.00 29.99 29.73 1fjd n HIS 48 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1fjd h GLY 49 N 0.00 0.33 0.42 -1.41 0.00 -1.92 -3.31 103.07 97.18 1fjd h GLY 49 Ca -0.01 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1fjd h GLY 49 CO 0.01 0.73 -1.42 0.28 0.00 0.00 0.00 176.54 176.14 1fjd n LYS 50 N -3.51 0.51 -0.43 4.80 4.01 -1.26 -4.15 118.16 118.13 1fjd n LYS 50 Ca -0.13 -0.05 0.36 0.00 -0.51 0.00 0.00 58.31 57.98 1fjd n LYS 50 Cb 1.04 -1.62 0.67 0.00 -0.51 0.00 0.00 35.03 34.61 1fjd n LYS 50 CO 0.00 0.00 0.00 0.97 -1.11 0.00 0.00 177.40 177.26 1fjd h ILE 51 N 0.00 0.27 0.07 -0.18 6.09 -1.85 3.10 117.51 125.01 1fjd h ILE 51 Ca 0.00 -0.04 -0.33 0.00 -1.37 0.00 0.00 64.86 63.11 1fjd h ILE 51 Cb 0.90 0.13 -0.03 0.00 0.47 0.00 0.00 36.82 38.29 1fjd h ILE 51 CO 0.00 0.02 -1.86 0.80 -3.07 0.00 0.00 178.15 174.04 1fjd n MET 52 N -4.45 0.71 0.23 2.19 0.00 -1.26 -1.24 117.12 113.31 1fjd n MET 52 Ca 0.33 0.28 0.07 0.00 -0.00 0.00 0.00 57.70 58.37 1fjd n MET 52 Cb 1.34 -1.75 0.55 0.00 0.00 0.00 0.00 33.22 33.36 1fjd n MET 52 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1fjd h GLU 53 N 0.04 0.00 0.00 2.12 4.81 0.20 1.70 114.58 123.45 1fjd h GLU 53 Ca -0.36 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.63 1fjd h GLU 53 Cb 2.03 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.37 1fjd h GLU 53 CO 0.09 0.16 -1.26 0.00 -0.73 0.00 0.00 179.01 177.27 1fjd h ALA 54 N 1.84 0.49 0.14 2.92 0.00 0.52 -2.00 119.26 123.16 1fjd h ALA 54 Ca -0.00 -1.11 -0.30 0.00 0.00 0.00 0.00 54.91 53.50 1fjd h ALA 54 Cb 0.30 0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.20 1fjd h ALA 54 CO 0.02 1.36 -1.27 1.98 0.00 0.00 0.00 179.25 181.34 1fjd h MET 55 N 0.00 0.62 0.39 0.00 1.85 0.41 -2.98 114.93 115.22 1fjd h MET 55 Ca -0.11 -0.85 -0.02 0.00 -0.61 0.00 0.00 59.70 58.11 1fjd h MET 55 Cb 1.86 0.28 0.00 0.00 0.43 0.00 0.00 31.60 34.18 1fjd h MET 55 CO 0.11 1.39 -0.19 1.49 -0.40 0.00 0.00 176.91 179.32 1fjd h GLU 56 N 0.25 -0.50 -0.35 0.39 4.81 0.23 -2.95 114.58 116.46 1fjd h GLU 56 Ca -0.20 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1fjd h GLU 56 Cb 1.94 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 31.39 1fjd h GLU 56 CO 0.24 -0.34 -0.27 0.87 -0.73 0.00 0.00 179.01 178.79 1fjd h LYS 57 N -1.10 -0.07 -0.85 1.92 1.57 -1.52 0.63 116.57 117.15 1fjd h LYS 57 Ca -0.05 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 58.98 1fjd h LYS 57 Cb 0.40 0.02 -0.16 0.00 0.08 0.00 0.00 32.23 32.57 1fjd h LYS 57 CO 0.09 -0.05 0.06 1.28 -0.57 0.00 0.00 179.45 180.26 1fjd n LEU 58 N -4.00 -0.06 0.00 2.94 4.32 -1.12 -0.03 117.00 119.05 1fjd n LEU 58 Ca -0.00 1.44 0.00 0.00 -0.02 0.00 0.00 56.01 57.43 1fjd n LEU 58 Cb 0.14 -0.54 0.00 0.00 -1.62 0.00 0.00 43.42 41.39 1fjd n LEU 58 CO -0.04 -1.47 0.13 0.29 -1.22 0.00 0.00 177.39 175.08 1fjd n LYS 59 N -5.19 0.00 -0.49 3.23 5.02 0.18 -3.62 118.16 117.29 1fjd n LYS 59 Ca 0.21 0.32 0.40 0.00 -2.02 0.00 0.00 58.31 57.22 1fjd n LYS 59 Cb 0.70 -0.98 0.64 0.00 -0.02 0.00 0.00 35.03 35.37 1fjd n LYS 59 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1fjd n SER 60 N -1.47 0.12 0.00 4.39 3.41 0.81 -4.66 113.62 116.21 1fjd n SER 60 Ca 0.00 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 1fjd n SER 60 Cb 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.41 1fjd n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fjd n GLY 61 N -1.58 1.96 0.00 5.00 0.00 0.95 -5.07 105.19 106.45 1fjd n GLY 61 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1fjd n GLY 61 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1fjd n MET 62 N -0.50 3.46 -2.11 1.61 1.56 -0.36 -4.90 117.12 115.88 1fjd n MET 62 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.01 1fjd n MET 62 Cb 0.00 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.34 1fjd n MET 62 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 1fjd s ARG 63 N 0.30 4.20 -0.06 2.12 0.52 -1.26 -4.80 118.95 119.97 1fjd s ARG 63 Ca 0.00 2.06 0.10 0.00 -0.52 0.00 0.00 55.73 57.36 1fjd s ARG 63 Cb 0.00 -3.92 -0.24 0.00 0.52 0.00 0.00 34.95 31.32 1fjd s ARG 63 CO 0.00 -0.80 0.60 1.19 0.02 0.00 0.00 175.30 176.31 1fjd n PHE 64 N 6.94 1.02 -0.01 -0.53 3.72 -1.26 -3.43 117.46 123.91 1fjd n PHE 64 Ca 0.16 0.34 -0.20 0.00 -0.05 0.00 0.00 57.45 57.71 1fjd n PHE 64 Cb 0.43 -1.18 -0.14 0.00 -0.94 0.00 0.00 39.48 37.66 1fjd n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1fjd n ASN 65 N -3.11 1.96 -0.12 4.37 4.05 -1.26 -2.79 115.26 118.36 1fjd n ASN 65 Ca -0.20 0.20 -0.12 0.00 0.45 0.00 0.00 54.58 54.92 1fjd n ASN 65 Cb 1.05 -0.72 -0.03 0.00 1.23 0.00 0.00 39.78 41.31 1fjd n ASN 65 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 1fjd h GLU 66 N 0.06 0.69 0.11 1.20 -0.00 -1.97 1.67 114.58 116.34 1fjd h GLU 66 Ca -0.42 -0.28 -0.01 0.00 -0.00 0.00 0.00 59.36 58.65 1fjd h GLU 66 Cb 2.03 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 30.75 1fjd h GLU 66 CO 0.07 0.87 -0.06 -0.39 -0.00 0.00 0.00 179.01 179.51 1fjd h VAL 67 N 0.47 1.03 -0.99 -1.06 -1.51 -1.73 -1.42 116.25 111.04 1fjd h VAL 67 Ca 0.08 -0.59 0.07 0.00 -1.23 0.00 0.00 66.70 65.04 1fjd h VAL 67 Cb 0.64 1.40 -0.07 0.00 -2.13 0.00 0.00 31.29 31.13 1fjd h VAL 67 CO 0.04 0.14 0.64 0.00 -1.23 0.00 0.00 177.57 177.16 1fjd h ALA 68 N 0.42 1.44 -2.46 5.19 0.00 -1.41 0.69 119.26 123.12 1fjd h ALA 68 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1fjd h ALA 68 Cb 0.35 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1fjd h ALA 68 CO 0.03 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1fjd n ALA 69 N -2.37 -0.04 -0.10 0.00 0.00 0.57 -3.42 120.51 115.15 1fjd n ALA 69 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 1fjd n ALA 69 Cb 0.22 0.16 -0.12 0.00 0.00 0.00 0.00 19.45 19.72 1fjd n ALA 69 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fjd n GLN 70 N -1.10 0.60 -0.61 0.00 1.13 -0.60 -4.14 117.38 112.66 1fjd n GLN 70 Ca 0.00 0.48 0.46 0.00 -1.94 0.00 0.00 57.00 56.00 1fjd n GLN 70 Cb 0.00 -1.70 0.72 0.00 0.11 0.00 0.00 30.24 29.38 1fjd n GLN 70 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1fjd n TYR 71 N -4.25 0.12 -3.05 1.08 4.02 0.24 -2.59 117.16 112.72 1fjd n TYR 71 Ca -0.36 0.13 -0.44 0.00 -0.01 0.00 0.00 57.90 57.22 1fjd n TYR 71 Cb 0.77 -0.57 -0.05 0.00 -0.02 0.00 0.00 39.34 39.46 1fjd n TYR 71 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1fjd s SER 72 N -3.96 6.24 -0.34 7.72 0.15 -1.04 -3.73 113.70 118.75 1fjd s SER 72 Ca -0.05 -0.84 -0.03 0.00 0.70 0.00 0.00 55.95 55.73 1fjd s SER 72 Cb 0.25 -2.34 -0.07 0.00 -1.71 0.00 0.00 66.02 62.15 1fjd s SER 72 CO 0.80 -1.05 1.80 1.21 1.20 0.00 0.00 173.24 177.20 1fjd n GLU 73 N 6.63 1.18 -3.91 5.44 2.13 0.74 -4.51 120.64 128.34 1fjd n GLU 73 Ca -0.05 -0.81 0.00 0.00 0.66 0.00 0.00 57.16 56.97 1fjd n GLU 73 Cb 0.46 -2.02 0.00 0.00 0.27 0.00 0.00 31.44 30.15 1fjd n GLU 73 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1fjd n ASP 74 N 3.61 0.00 -4.50 4.31 5.68 -1.26 -4.85 116.55 119.53 1fjd n ASP 74 Ca 0.25 0.00 -0.33 0.00 -0.50 0.00 0.00 54.79 54.21 1fjd n ASP 74 Cb 0.24 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.04 1fjd n ASP 74 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1fjd n LYS 75 N 0.00 0.04 -0.51 0.11 3.00 -1.26 -4.83 118.16 114.70 1fjd n LYS 75 Ca 0.00 -0.01 -0.25 0.00 -0.00 0.00 0.00 58.31 58.05 1fjd n LYS 75 Cb 0.00 -1.41 0.19 0.00 0.00 0.00 0.00 35.03 33.81 1fjd n LYS 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fjd n ALA 76 N 8.95 -2.60 -0.08 3.14 0.00 -1.25 -4.36 120.51 124.30 1fjd n ALA 76 Ca 0.66 -1.28 -0.08 0.00 0.00 0.00 0.00 53.44 52.73 1fjd n ALA 76 Cb 0.09 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1fjd n ALA 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1fjd n ARG 77 N -2.72 0.50 0.00 0.00 0.00 -0.60 -1.46 116.66 112.38 1fjd n ARG 77 Ca 0.05 0.35 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 1fjd n ARG 77 Cb 0.48 -1.55 0.00 0.00 0.00 0.00 0.00 32.46 31.39 1fjd n ARG 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1fjd n GLN 78 N -4.52 0.00 0.11 -0.14 1.13 -1.26 0.33 117.38 113.03 1fjd n GLN 78 Ca -0.13 0.00 0.10 0.00 -1.94 0.00 0.00 57.00 55.03 1fjd n GLN 78 Cb 0.43 -0.40 0.46 0.00 0.11 0.00 0.00 30.24 30.84 1fjd n GLN 78 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1fjd n GLY 79 N 0.00 -1.03 0.08 1.08 0.00 -1.26 -1.57 105.19 102.49 1fjd n GLY 79 Ca 0.00 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 1fjd n GLY 79 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1fjd h GLY 80 N 1.29 0.02 -2.00 -0.02 0.00 -1.58 -3.47 103.07 97.32 1fjd h GLY 80 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.26 1fjd h GLY 80 CO 0.00 0.05 -0.13 1.34 0.00 0.00 0.00 176.54 177.80 1fjd n ASP 81 N -3.12 -0.71 -0.28 0.19 -0.08 0.98 -4.51 116.55 109.02 1fjd n ASP 81 Ca -0.15 0.02 0.09 0.00 -1.51 0.00 0.00 54.79 53.23 1fjd n ASP 81 Cb 1.04 -0.18 0.21 0.00 2.34 0.00 0.00 41.12 44.53 1fjd n ASP 81 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 1fjd h LEU 82 N 0.86 -0.22 0.00 -2.67 8.10 -1.63 -3.48 115.31 116.28 1fjd h LEU 82 Ca -0.03 0.20 0.00 0.00 0.11 0.00 0.00 57.88 58.16 1fjd h LEU 82 Cb 0.14 0.32 0.00 0.00 -0.44 0.00 0.00 40.66 40.68 1fjd h LEU 82 CO 0.01 -0.18 0.00 0.61 -4.11 0.00 0.00 178.44 174.78 1fjd n GLY 83 N -1.41 1.67 3.45 0.17 0.00 0.24 -4.99 105.19 104.31 1fjd n GLY 83 Ca 0.17 -2.23 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 1fjd n GLY 83 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1fjd n TRP 84 N -0.86 -0.97 -3.74 1.61 7.02 -1.26 -2.85 117.44 116.39 1fjd n TRP 84 Ca 0.00 0.23 -0.13 0.00 -1.02 0.00 0.00 57.50 56.58 1fjd n TRP 84 Cb 0.00 -1.79 -0.10 0.00 -2.42 0.00 0.00 31.31 27.00 1fjd n TRP 84 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1fjd s MET 85 N -3.86 0.45 -0.03 -0.99 -1.94 -0.60 -4.78 119.30 107.54 1fjd s MET 85 Ca 0.60 0.50 0.01 0.00 -1.71 0.00 0.00 55.69 55.09 1fjd s MET 85 Cb -0.20 0.22 0.02 0.00 2.01 0.00 0.00 34.83 36.87 1fjd s MET 85 CO 0.65 -0.06 -0.04 0.95 -0.01 0.00 0.00 175.02 176.51 1fjd s THR 86 N 0.15 0.47 0.95 2.05 -4.23 -1.25 -2.37 115.64 111.41 1fjd s THR 86 Ca -0.00 -0.11 -0.17 0.00 -1.18 0.00 0.00 61.69 60.22 1fjd s THR 86 Cb -0.03 -0.49 -0.13 0.00 1.34 0.00 0.00 72.50 73.19 1fjd s THR 86 CO 0.01 0.20 -0.61 0.54 -0.54 0.00 0.00 174.62 174.21 1fjd n ARG 87 N 3.86 -0.02 0.00 3.99 1.74 -1.25 -3.66 116.66 121.32 1fjd n ARG 87 Ca -0.24 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.84 1fjd n ARG 87 Cb 0.52 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 1fjd n ARG 87 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fjd n GLY 88 N 3.19 3.13 0.01 -0.13 0.00 -1.26 -4.72 105.19 105.42 1fjd n GLY 88 Ca -0.00 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.25 1fjd n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fjd n SER 89 N 0.63 0.23 -3.84 1.61 7.64 -1.24 -4.95 113.62 113.71 1fjd n SER 89 Ca 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1fjd n SER 89 Cb 0.00 1.91 0.00 0.00 -1.01 0.00 0.00 64.21 65.11 1fjd n SER 89 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1fjd n MET 90 N -2.19 1.31 0.00 1.43 2.00 -1.26 -5.07 117.12 113.34 1fjd n MET 90 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.67 1fjd n MET 90 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.76 1fjd n MET 90 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1fjd n VAL 91 N -0.61 0.00 0.00 2.03 0.24 -1.26 -5.08 118.33 113.64 1fjd n VAL 91 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1fjd n VAL 91 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 1fjd n VAL 91 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fjd n GLY 92 N 4.11 -0.96 0.37 7.63 0.00 -1.26 -4.86 105.19 110.21 1fjd n GLY 92 Ca 0.00 0.22 0.01 0.00 0.00 0.00 0.00 46.02 46.25 1fjd n GLY 92 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1fjd h PRO 93 N 0.00 1.17 -0.92 1.61 0.10 -1.92 0.56 132.00 132.60 1fjd h PRO 93 Ca 0.00 -0.07 0.01 0.00 0.10 0.00 0.00 66.00 66.04 1fjd h PRO 93 Cb 0.00 -0.26 -0.05 0.00 0.10 0.00 0.00 31.00 30.79 1fjd h PRO 93 CO 0.00 0.77 0.60 0.35 0.10 0.00 0.00 178.00 179.83 1fjd h PHE 94 N 1.21 1.16 0.00 0.65 3.57 -1.91 -2.84 116.94 118.78 1fjd h PHE 94 Ca 0.38 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.91 1fjd h PHE 94 Cb 0.02 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.37 1fjd h PHE 94 CO -0.00 0.73 -0.32 0.37 -2.23 0.00 0.00 178.31 176.86 1fjd h GLN 95 N 1.24 0.00 -1.60 1.11 -0.00 -1.70 -3.27 115.11 110.88 1fjd h GLN 95 Ca 0.33 0.00 0.47 0.00 -0.00 0.00 0.00 58.65 59.46 1fjd h GLN 95 Cb -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 27.27 1fjd h GLN 95 CO -0.07 0.00 1.14 -0.85 0.00 0.00 0.00 178.83 179.05 1fjd n GLU 96 N -4.23 -0.00 0.00 1.69 -0.00 0.19 -0.41 120.64 117.88 1fjd n GLU 96 Ca -0.04 0.94 0.00 0.00 -0.00 0.00 0.00 57.16 58.05 1fjd n GLU 96 Cb 0.17 -2.11 0.00 0.00 -0.00 0.00 0.00 31.44 29.50 1fjd n GLU 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1fjd n ALA 97 N -2.74 0.00 -0.32 -1.84 0.00 -1.07 -2.02 120.51 112.51 1fjd n ALA 97 Ca 0.37 -0.00 0.29 0.00 0.00 0.00 0.00 53.44 54.10 1fjd n ALA 97 Cb 1.65 0.00 0.54 0.00 0.00 0.00 0.00 19.45 21.65 1fjd n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjd h ALA 98 N -2.00 2.04 0.35 0.00 0.00 -1.49 0.82 119.26 118.97 1fjd h ALA 98 Ca 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1fjd h ALA 98 Cb 0.00 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1fjd h ALA 98 CO 0.00 -0.85 -0.17 0.74 0.00 0.00 0.00 179.25 178.97 1fjd h PHE 99 N 0.06 -0.43 -0.75 0.00 -1.00 -0.90 -3.24 116.94 110.69 1fjd h PHE 99 Ca 0.81 -0.01 0.13 0.00 2.81 0.00 0.00 57.97 61.70 1fjd h PHE 99 Cb 2.05 0.14 -0.05 0.00 3.61 0.00 0.00 35.95 41.70 1fjd h PHE 99 CO -0.05 -0.27 0.50 0.00 -1.61 0.00 0.00 178.31 176.88 1fjd h ALA 100 N -1.47 1.98 -2.00 2.45 0.00 -0.63 -3.42 119.26 116.18 1fjd h ALA 100 Ca -0.05 -0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.41 1fjd h ALA 100 Cb 0.36 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.08 1fjd h ALA 100 CO 0.08 -0.17 -0.13 -0.51 0.00 0.00 0.00 179.25 178.52 1fjd s LEU 101 N -9.50 3.66 0.81 0.00 1.43 0.27 -5.06 118.68 110.30 1fjd s LEU 101 Ca -0.09 0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 1fjd s LEU 101 Cb 0.21 -3.07 0.08 0.00 0.03 0.00 0.00 46.19 43.44 1fjd s LEU 101 CO 0.77 -0.70 1.20 -2.16 0.23 0.00 0.00 176.35 175.69 1fjd s PRO 102 N -4.51 1.62 0.00 1.29 0.04 -1.26 -4.70 135.00 127.47 1fjd s PRO 102 Ca 0.49 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1fjd s PRO 102 Cb -0.10 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1fjd s PRO 102 CO 0.37 -2.23 0.00 1.33 0.04 0.00 0.00 177.00 176.51 1fjd n VAL 103 N -3.33 0.00 -0.64 -0.36 0.24 -1.26 -4.67 118.33 108.30 1fjd n VAL 103 Ca 0.13 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.52 1fjd n VAL 103 Cb 0.51 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.85 1fjd n VAL 103 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1fjd n SER 104 N -0.08 -3.80 0.00 -1.34 3.41 0.48 -3.92 113.62 108.36 1fjd n SER 104 Ca 0.00 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1fjd n SER 104 Cb 0.00 -1.94 0.00 0.00 -0.26 0.00 0.00 64.21 62.01 1fjd n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fjd n GLY 105 N -2.46 2.98 5.61 5.00 0.00 -1.19 -1.40 105.19 113.73 1fjd n GLY 105 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1fjd n GLY 105 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1fjd n MET 106 N 0.00 0.00 -3.05 1.61 0.00 -1.26 -4.02 117.12 110.40 1fjd n MET 106 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.70 57.55 1fjd n MET 106 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1fjd n MET 106 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1fjd n ASP 107 N -0.78 0.24 0.09 6.12 -0.08 -1.26 -2.60 116.55 118.28 1fjd n ASP 107 Ca 0.00 -3.10 0.00 0.00 -1.51 0.00 0.00 54.79 50.18 1fjd n ASP 107 Cb 0.00 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 43.35 1fjd n ASP 107 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1fjd n LYS 108 N 0.24 0.00 0.18 -0.67 5.02 -1.26 -5.00 118.16 116.68 1fjd n LYS 108 Ca 0.19 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.42 1fjd n LYS 108 Cb 0.69 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.66 1fjd n LYS 108 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1fjd h PRO 109 N 0.00 -0.43 0.00 1.97 0.13 -1.93 -3.44 132.00 128.30 1fjd h PRO 109 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1fjd h PRO 109 Cb 0.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.23 1fjd h PRO 109 CO 0.00 -0.29 0.00 1.33 -0.23 0.00 0.00 178.00 178.81 1fjd n VAL 110 N -3.28 0.00 0.00 1.56 0.24 -1.25 -4.96 118.33 110.64 1fjd n VAL 110 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1fjd n VAL 110 Cb 0.18 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 1fjd n VAL 110 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1fjd n PHE 111 N -2.23 0.00 -1.95 6.34 3.01 -1.26 -4.98 117.46 116.39 1fjd n PHE 111 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1fjd n PHE 111 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1fjd n PHE 111 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1fjd n THR 112 N -1.13 0.00 -4.23 4.37 5.66 -1.26 -5.10 114.28 112.59 1fjd n THR 112 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1fjd n THR 112 Cb 0.00 -0.91 -0.09 0.00 -1.55 0.00 0.00 70.33 67.78 1fjd n THR 112 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1fjd s ASP 113 N -0.95 4.91 0.06 1.09 1.11 -1.26 -4.83 116.67 116.79 1fjd s ASP 113 Ca 0.00 -0.15 -0.29 0.00 0.18 0.00 0.00 52.55 52.29 1fjd s ASP 113 Cb 0.00 -1.17 -0.15 0.00 1.07 0.00 0.00 42.92 42.67 1fjd s ASP 113 CO 0.00 0.22 1.43 1.55 1.18 0.00 0.00 175.17 179.55 1fjd h PRO 114 N 3.85 -0.89 -5.05 8.23 0.13 -1.80 -3.35 132.00 133.12 1fjd h PRO 114 Ca -0.48 0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.62 1fjd h PRO 114 Cb 1.17 0.20 0.02 0.00 0.13 0.00 0.00 31.00 32.52 1fjd h PRO 114 CO 0.57 -0.60 0.39 -0.35 -0.23 0.00 0.00 178.00 177.79 1fjd n PRO 115 N -4.81 0.06 -3.34 1.56 -0.04 -1.24 -3.14 135.00 124.05 1fjd n PRO 115 Ca -0.11 -1.27 -0.33 0.00 -0.04 0.00 0.00 63.50 61.74 1fjd n PRO 115 Cb 0.39 -3.17 -0.06 0.00 -0.04 0.00 0.00 33.50 30.63 1fjd n PRO 115 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fjd s VAL 116 N 12.68 4.85 0.10 0.52 -7.23 0.18 -4.44 120.40 127.05 1fjd s VAL 116 Ca 0.64 0.70 -0.09 0.00 -1.81 0.00 0.00 61.98 61.42 1fjd s VAL 116 Cb -0.01 -3.67 -0.06 0.00 0.56 0.00 0.00 36.38 33.21 1fjd s VAL 116 CO 0.18 0.03 0.41 -0.75 -0.31 0.00 0.00 175.10 174.66 1fjd s LYS 117 N -2.52 3.76 -0.46 4.82 2.20 -1.25 -0.14 119.74 126.14 1fjd s LYS 117 Ca 0.45 0.16 0.06 0.00 -0.36 0.00 0.00 55.97 56.28 1fjd s LYS 117 Cb -0.13 -2.96 0.29 0.00 -1.51 0.00 0.00 37.83 33.53 1fjd s LYS 117 CO 0.20 0.53 1.05 -2.37 -0.36 0.00 0.00 175.35 174.40 1fjd n THR 118 N 0.74 0.00 -1.06 3.43 5.66 -1.25 -4.65 114.28 117.15 1fjd n THR 118 Ca -0.07 -1.45 -0.02 0.00 -3.05 0.00 0.00 64.05 59.47 1fjd n THR 118 Cb 0.52 1.47 -0.01 0.00 -1.55 0.00 0.00 70.33 70.77 1fjd n THR 118 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1fjd n LYS 119 N 0.87 -1.75 0.00 1.09 4.81 -1.26 -4.71 118.16 117.21 1fjd n LYS 119 Ca 0.07 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1fjd n LYS 119 Cb 0.68 -4.87 0.00 0.00 0.02 0.00 0.00 35.03 30.86 1fjd n LYS 119 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1fjd n PHE 120 N -2.14 0.00 0.00 5.64 3.72 -1.26 -5.16 117.46 118.26 1fjd n PHE 120 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1fjd n PHE 120 Cb 0.47 0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1fjd n PHE 120 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1fjd n GLY 121 N 2.67 2.30 3.10 1.37 0.00 -1.26 -5.08 105.19 108.30 1fjd n GLY 121 Ca 0.00 0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1fjd n GLY 121 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fjd s TYR 122 N 1.67 3.48 -0.17 1.61 1.51 -1.26 -3.81 117.35 120.38 1fjd s TYR 122 Ca 0.00 -2.39 -0.06 0.00 -1.01 0.00 0.00 57.07 53.62 1fjd s TYR 122 Cb 0.00 -2.58 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 1fjd s TYR 122 CO 0.00 -0.90 0.02 -1.01 -1.11 0.00 0.00 175.55 172.55 1fjd s HIS 123 N 1.11 3.16 -0.62 2.71 3.76 0.80 -3.25 115.29 122.95 1fjd s HIS 123 Ca 0.02 -0.08 -0.22 0.00 -0.15 0.00 0.00 55.06 54.63 1fjd s HIS 123 Cb -0.20 -2.02 0.07 0.00 1.11 0.00 0.00 32.58 31.53 1fjd s HIS 123 CO -0.04 0.08 0.89 0.42 -0.85 0.00 0.00 174.74 175.23 1fjd s ILE 124 N 0.35 4.46 -0.36 0.60 1.01 -0.27 0.47 121.20 127.46 1fjd s ILE 124 Ca -0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 60.65 60.03 1fjd s ILE 124 Cb -0.13 -4.60 0.01 0.00 0.01 0.00 0.00 42.46 37.74 1fjd s ILE 124 CO 0.01 -1.30 0.69 -0.63 0.00 0.00 0.00 174.94 173.71 1fjd s ILE 125 N 3.69 4.83 -0.39 2.92 1.01 -1.22 -2.81 121.20 129.23 1fjd s ILE 125 Ca 0.21 0.66 -0.05 0.00 0.00 0.00 0.00 60.65 61.47 1fjd s ILE 125 Cb -0.18 -4.13 0.09 0.00 0.01 0.00 0.00 42.46 38.25 1fjd s ILE 125 CO 0.11 -0.37 0.18 -0.04 0.00 0.00 0.00 174.94 174.81 1fjd s MET 126 N 2.85 2.31 0.25 2.79 -1.94 -0.21 -3.17 119.30 122.18 1fjd s MET 126 Ca 0.27 -1.57 -0.11 0.00 -1.71 0.00 0.00 55.69 52.57 1fjd s MET 126 Cb -0.14 -3.57 -0.08 0.00 2.01 0.00 0.00 34.83 33.06 1fjd s MET 126 CO 0.16 -0.93 0.60 0.08 -0.01 0.00 0.00 175.02 174.91 1fjd s VAL 127 N 1.27 4.87 -0.38 -6.03 1.01 -0.50 -1.08 120.40 119.56 1fjd s VAL 127 Ca 0.03 0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.63 1fjd s VAL 127 Cb -0.22 -3.62 0.16 0.00 0.00 0.00 0.00 36.38 32.70 1fjd s VAL 127 CO -0.01 -0.11 0.42 -0.70 0.00 0.00 0.00 175.10 174.70 1fjd s GLU 128 N -2.88 0.69 0.00 2.72 2.56 0.86 0.18 118.70 122.84 1fjd s GLU 128 Ca 0.49 -0.83 0.00 0.00 0.00 0.00 0.00 54.97 54.63 1fjd s GLU 128 Cb -0.11 -0.60 0.00 0.00 2.00 0.00 0.00 34.13 35.42 1fjd s GLU 128 CO 0.20 -1.21 0.00 0.41 -0.56 0.00 0.00 175.26 174.11 1fjd n GLY 129 N 4.18 -0.57 2.79 -1.50 0.00 -1.26 -2.92 105.19 105.91 1fjd n GLY 129 Ca 0.12 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 1fjd n GLY 129 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1fjd n ARG 130 N 1.87 0.38 0.00 1.61 1.85 -1.25 -0.71 116.66 120.41 1fjd n ARG 130 Ca 0.00 -2.90 0.00 0.00 -1.00 0.00 0.00 57.85 53.95 1fjd n ARG 130 Cb 0.00 2.30 0.00 0.00 -1.05 0.00 0.00 32.46 33.71 1fjd n ARG 130 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98