#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjd n SER 29 N 0.00 1.67 -4.80 1.61 2.88 -1.26 -4.92 113.62 108.80 1fjd n SER 29 Ca 0.00 1.05 -0.30 0.00 -1.33 0.00 0.00 58.87 58.28 1fjd n SER 29 Cb 0.00 -1.00 -0.06 0.00 -0.75 0.00 0.00 64.21 62.40 1fjd n SER 29 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1fjd s GLY 30 N 3.80 2.77 -0.62 0.46 0.00 -1.26 -5.02 107.32 107.45 1fjd s GLY 30 Ca 1.04 -0.82 -0.26 0.00 0.00 0.00 0.00 44.72 44.68 1fjd s GLY 30 CO 0.72 -2.10 2.34 -4.14 0.00 0.00 0.00 173.10 169.92 1fjd s PRO 31 N -3.99 2.01 -0.47 2.90 0.02 -1.26 -4.80 135.00 129.41 1fjd s PRO 31 Ca 0.17 0.96 0.06 0.00 0.02 0.00 0.00 61.00 62.22 1fjd s PRO 31 Cb 0.01 -4.65 0.19 0.00 0.02 0.00 0.00 34.50 30.07 1fjd s PRO 31 CO 0.10 -3.60 0.58 1.17 -0.33 0.00 0.00 177.00 174.92 1fjd n LYS 32 N 8.96 0.44 0.00 5.54 4.81 -1.26 -5.11 118.16 131.55 1fjd n LYS 32 Ca 0.38 -2.53 0.00 0.00 -0.87 0.00 0.00 58.31 55.29 1fjd n LYS 32 Cb 0.51 -1.52 0.00 0.00 0.02 0.00 0.00 35.03 34.03 1fjd n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fjd n GLY 33 N 2.65 0.34 0.00 3.14 0.00 -1.26 -4.89 105.19 105.16 1fjd n GLY 33 Ca 0.22 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 2.23 2.66 -0.02 0.00 -1.26 -5.11 105.19 103.69 1fjd n GLY 34 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1fjd n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fjd s GLY 35 N 0.00 0.18 -0.01 -0.02 0.00 -1.26 -4.61 107.32 101.59 1fjd s GLY 35 Ca 0.00 -0.85 0.04 0.00 0.00 0.00 0.00 44.72 43.91 1fjd s GLY 35 CO 0.00 2.45 0.09 -2.01 0.00 0.00 0.00 173.10 173.62 1fjd n ASN 36 N 4.92 4.02 -4.05 1.64 2.85 -1.26 -4.94 115.26 118.43 1fjd n ASN 36 Ca 0.01 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.36 1fjd n ASN 36 Cb 0.44 1.15 -0.11 0.00 1.24 0.00 0.00 39.78 42.49 1fjd n ASN 36 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1fjd s ALA 37 N -2.28 0.47 -0.00 5.20 0.00 -1.26 -3.46 121.76 120.43 1fjd s ALA 37 Ca -0.02 -0.74 -0.16 0.00 0.00 0.00 0.00 51.96 51.05 1fjd s ALA 37 Cb 0.03 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.24 1fjd s ALA 37 CO 0.18 -0.06 0.34 0.14 0.00 0.00 0.00 175.76 176.36 1fjd s VAL 38 N -1.45 0.06 -0.49 0.00 -7.23 -0.32 -0.69 120.40 110.28 1fjd s VAL 38 Ca -0.11 -0.47 -0.23 0.00 -1.81 0.00 0.00 61.98 59.36 1fjd s VAL 38 Cb -0.10 -0.72 0.04 0.00 0.56 0.00 0.00 36.38 36.16 1fjd s VAL 38 CO -0.00 -0.26 0.82 -0.75 -0.31 0.00 0.00 175.10 174.60 1fjd s LYS 39 N -1.58 3.34 -0.16 4.82 2.47 -0.43 -2.25 119.74 125.96 1fjd s LYS 39 Ca -0.12 -0.27 -0.04 0.00 -1.56 0.00 0.00 55.97 53.98 1fjd s LYS 39 Cb -0.04 -4.00 -0.03 0.00 -1.46 0.00 0.00 37.83 32.30 1fjd s LYS 39 CO 0.03 -1.26 -0.01 0.14 0.16 0.00 0.00 175.35 174.42 1fjd s VAL 40 N 3.42 4.16 0.00 4.02 -7.23 -1.24 0.29 120.40 123.83 1fjd s VAL 40 Ca 0.28 -0.26 0.07 0.00 -1.81 0.00 0.00 61.98 60.26 1fjd s VAL 40 Cb -0.13 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.95 1fjd s VAL 40 CO 0.20 0.50 -0.23 -0.13 -0.31 0.00 0.00 175.10 175.13 1fjd s ARG 41 N 0.24 2.08 0.07 4.82 0.52 -0.04 -3.80 118.95 122.84 1fjd s ARG 41 Ca -0.01 -0.95 0.09 0.00 -0.52 0.00 0.00 55.73 54.34 1fjd s ARG 41 Cb -0.13 -2.11 -0.03 0.00 0.52 0.00 0.00 34.95 33.20 1fjd s ARG 41 CO 0.02 0.55 -0.23 -1.01 0.02 0.00 0.00 175.30 174.65 1fjd s HIS 42 N -0.74 2.04 -0.15 -0.53 3.76 -1.26 -1.15 115.29 117.27 1fjd s HIS 42 Ca 0.12 -0.39 -0.04 0.00 -0.15 0.00 0.00 55.06 54.59 1fjd s HIS 42 Cb -0.10 -1.18 0.07 0.00 1.11 0.00 0.00 32.58 32.47 1fjd s HIS 42 CO 0.01 0.16 0.20 -1.50 -0.85 0.00 0.00 174.74 172.77 1fjd s ILE 43 N -0.90 -0.31 0.12 0.60 2.07 -0.95 -2.92 121.20 118.90 1fjd s ILE 43 Ca 0.10 0.12 0.09 0.00 -1.41 0.00 0.00 60.65 59.54 1fjd s ILE 43 Cb -0.10 -0.50 -0.04 0.00 0.13 0.00 0.00 42.46 41.96 1fjd s ILE 43 CO 0.03 -0.03 -0.16 -0.22 -1.91 0.00 0.00 174.94 172.66 1fjd s LEU 44 N 2.33 2.79 -0.61 8.50 2.96 -0.74 0.90 118.68 134.81 1fjd s LEU 44 Ca 0.04 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 1fjd s LEU 44 Cb -0.14 -1.61 0.16 0.00 0.50 0.00 0.00 46.19 45.10 1fjd s LEU 44 CO -0.09 0.17 0.41 0.00 -1.32 0.00 0.00 176.35 175.52 1fjd h GLU 46 N 5.77 0.00 0.00 0.00 4.81 -1.88 2.21 114.58 125.49 1fjd h GLU 46 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1fjd h GLU 46 Cb 0.82 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1fjd h GLU 46 CO 0.65 0.00 -0.45 0.87 -0.73 0.00 0.00 179.01 179.35 1fjd h LYS 47 N 0.00 0.00 -0.65 1.92 1.79 -1.96 -3.47 116.57 114.20 1fjd h LYS 47 Ca 0.50 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.76 1fjd h LYS 47 Cb 2.36 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 32.93 1fjd h LYS 47 CO -0.01 0.00 -0.19 0.72 -1.08 0.00 0.00 179.45 178.90 1fjd n HIS 48 N -2.25 -0.09 0.81 -1.35 8.25 0.75 -4.74 115.22 116.60 1fjd n HIS 48 Ca 0.04 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.59 1fjd n HIS 48 Cb 0.45 -2.53 0.04 0.00 1.12 0.00 0.00 29.99 29.07 1fjd n HIS 48 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fjd n GLY 49 N 0.18 0.26 0.00 -1.41 0.00 -1.26 -4.51 105.19 98.45 1fjd n GLY 49 Ca -0.10 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1fjd n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1fjd n LYS 50 N 0.53 2.61 -0.11 1.61 0.00 -1.26 -4.56 118.16 116.98 1fjd n LYS 50 Ca 0.09 0.00 0.27 0.00 -0.00 0.00 0.00 58.31 58.67 1fjd n LYS 50 Cb 0.43 -0.78 0.68 0.00 -0.00 0.00 0.00 35.03 35.37 1fjd n LYS 50 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 1fjd h ILE 51 N 0.00 0.30 0.00 0.58 6.09 -1.87 2.69 117.51 125.31 1fjd h ILE 51 Ca 0.00 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 63.21 1fjd h ILE 51 Cb 0.09 0.43 -0.05 0.00 0.47 0.00 0.00 36.82 37.77 1fjd h ILE 51 CO 0.00 0.00 -1.69 0.23 -3.07 0.00 0.00 178.15 173.62 1fjd n MET 52 N -3.76 0.63 0.15 2.19 0.00 -1.26 -2.57 117.12 112.50 1fjd n MET 52 Ca 0.17 0.29 0.00 0.00 0.00 0.00 0.00 57.70 58.16 1fjd n MET 52 Cb 1.02 -1.80 0.24 0.00 0.00 0.00 0.00 33.22 32.68 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 0.00 0.00 -0.21 0.03 4.81 0.12 -0.46 114.58 118.87 1fjd h GLU 53 Ca -0.28 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.87 1fjd h GLU 53 Cb 1.98 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.35 1fjd h GLU 53 CO 0.08 0.53 -0.26 0.00 -0.73 0.00 0.00 179.01 178.63 1fjd h ALA 54 N 1.47 1.18 -0.27 2.92 0.00 0.41 1.78 119.26 126.74 1fjd h ALA 54 Ca -0.01 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1fjd h ALA 54 Cb 0.97 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1fjd h ALA 54 CO 0.07 0.53 -0.15 0.52 0.00 0.00 0.00 179.25 180.21 1fjd h MET 55 N 0.35 0.59 0.15 0.00 2.86 -0.91 -1.82 114.93 116.15 1fjd h MET 55 Ca 0.05 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 1fjd h MET 55 Cb 0.64 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1fjd h MET 55 CO 0.05 0.84 -0.07 0.93 1.06 0.00 0.00 176.91 179.72 1fjd h GLU 56 N 0.33 -0.20 -0.01 1.72 5.08 -0.62 -2.74 114.58 118.14 1fjd h GLU 56 Ca 0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1fjd h GLU 56 Cb 0.68 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1fjd h GLU 56 CO 0.04 0.01 -0.02 0.87 -1.00 0.00 0.00 179.01 178.92 1fjd h LYS 57 N -1.02 -0.01 -1.43 2.33 1.57 0.26 0.52 116.57 118.78 1fjd h LYS 57 Ca -0.02 0.00 0.45 0.00 -1.87 0.00 0.00 60.65 59.21 1fjd h LYS 57 Cb 0.30 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.50 1fjd h LYS 57 CO 0.03 -0.01 0.95 -0.07 -0.57 0.00 0.00 179.45 179.79 1fjd h LEU 58 N -0.01 0.19 0.00 2.94 3.38 -1.47 -1.28 115.31 119.05 1fjd h LEU 58 Ca 0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1fjd h LEU 58 Cb 0.02 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1fjd h LEU 58 CO -0.02 -0.13 0.00 0.29 0.09 0.00 0.00 178.44 178.67 1fjd n LYS 59 N -4.52 0.00 -0.20 1.13 5.02 0.13 -4.23 118.16 115.49 1fjd n LYS 59 Ca 0.38 0.16 -0.05 0.00 -2.02 0.00 0.00 58.31 56.77 1fjd n LYS 59 Cb 1.52 -0.82 -0.05 0.00 -0.02 0.00 0.00 35.03 35.66 1fjd n LYS 59 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1fjd n SER 60 N -0.97 -0.51 0.00 4.39 7.64 0.14 -4.79 113.62 119.51 1fjd n SER 60 Ca 0.00 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1fjd n SER 60 Cb 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1fjd n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fjd n GLY 61 N -1.12 0.02 0.00 0.23 0.00 -0.52 -5.09 105.19 98.70 1fjd n GLY 61 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1fjd n GLY 61 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1fjd n MET 62 N 0.00 3.42 -2.44 1.61 2.81 -1.17 -4.99 117.12 116.37 1fjd n MET 62 Ca 0.00 0.00 -0.41 0.00 -1.81 0.00 0.00 57.70 55.48 1fjd n MET 62 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 1fjd n MET 62 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1fjd s ARG 63 N 1.35 4.53 -0.04 0.03 0.52 -1.26 -4.92 118.95 119.16 1fjd s ARG 63 Ca 0.00 1.80 0.13 0.00 -0.52 0.00 0.00 55.73 57.14 1fjd s ARG 63 Cb 0.00 -3.26 -0.23 0.00 0.52 0.00 0.00 34.95 31.98 1fjd s ARG 63 CO 0.00 -0.03 0.67 1.19 0.02 0.00 0.00 175.30 177.15 1fjd n PHE 64 N 2.51 0.99 -0.01 -0.53 3.01 -1.26 -3.73 117.46 118.44 1fjd n PHE 64 Ca 0.04 0.36 -0.15 0.00 1.01 0.00 0.00 57.45 58.71 1fjd n PHE 64 Cb 0.45 -1.18 -0.14 0.00 -0.01 0.00 0.00 39.48 38.60 1fjd n PHE 64 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1fjd n ASN 65 N -3.03 1.45 0.41 4.37 2.85 -1.26 -2.87 115.26 117.18 1fjd n ASN 65 Ca -0.17 0.30 -0.16 0.00 -0.11 0.00 0.00 54.58 54.45 1fjd n ASN 65 Cb 1.04 -0.42 -0.08 0.00 1.24 0.00 0.00 39.78 41.57 1fjd n ASN 65 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1fjd h GLU 66 N 0.03 -1.02 -0.17 1.20 4.39 -1.98 0.60 114.58 117.64 1fjd h GLU 66 Ca -0.36 0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.45 1fjd h GLU 66 Cb 2.03 0.23 -0.07 0.00 -0.10 0.00 0.00 28.75 30.84 1fjd h GLU 66 CO 0.08 -0.68 -0.46 -0.39 -1.16 0.00 0.00 179.01 176.40 1fjd h VAL 67 N -1.17 0.10 -0.93 3.13 -1.51 -1.76 0.42 116.25 114.53 1fjd h VAL 67 Ca -0.11 0.00 0.25 0.00 -1.23 0.00 0.00 66.70 65.61 1fjd h VAL 67 Cb 0.82 0.10 -0.17 0.00 -2.13 0.00 0.00 31.29 29.91 1fjd h VAL 67 CO 0.18 0.00 0.05 0.00 -1.23 0.00 0.00 177.57 176.57 1fjd h ALA 68 N 0.04 1.12 -0.12 5.19 0.00 -1.37 2.26 119.26 126.38 1fjd h ALA 68 Ca 0.07 0.31 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1fjd h ALA 68 Cb 0.64 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1fjd h ALA 68 CO -0.43 -0.53 -0.08 0.00 0.00 0.00 0.00 179.25 178.21 1fjd h ALA 69 N 1.91 -0.12 0.00 0.00 0.00 0.48 -0.47 119.26 121.06 1fjd h ALA 69 Ca 0.56 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.28 1fjd h ALA 69 Cb 1.13 1.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.89 1fjd h ALA 69 CO -0.84 -0.17 -1.23 1.04 0.00 0.00 0.00 179.25 178.05 1fjd n GLN 70 N -3.26 0.54 -0.63 0.00 1.13 0.27 -3.86 117.38 111.56 1fjd n GLN 70 Ca 0.00 0.52 0.50 0.00 -1.94 0.00 0.00 57.00 56.08 1fjd n GLN 70 Cb 0.04 -1.70 0.80 0.00 0.11 0.00 0.00 30.24 29.48 1fjd n GLN 70 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 1fjd h TYR 71 N -1.00 0.00 -4.84 1.08 -1.99 0.36 -3.38 116.97 107.19 1fjd h TYR 71 Ca -0.30 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.00 1fjd h TYR 71 Cb 1.15 0.00 0.11 0.00 2.00 0.00 0.00 36.73 40.00 1fjd h TYR 71 CO -0.01 0.00 0.21 0.45 -0.00 0.00 0.00 178.16 178.82 1fjd n SER 72 N -3.92 0.87 -2.49 3.88 2.88 -0.20 -1.78 113.62 112.86 1fjd n SER 72 Ca 0.41 -1.86 -0.15 0.00 -1.33 0.00 0.00 58.87 55.93 1fjd n SER 72 Cb 1.90 -0.74 -0.09 0.00 -0.75 0.00 0.00 64.21 64.52 1fjd n SER 72 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1fjd n GLU 73 N -3.09 1.90 -1.26 -1.46 0.28 -1.11 -3.85 120.64 112.05 1fjd n GLU 73 Ca 0.16 -1.07 -0.10 0.00 -0.16 0.00 0.00 57.16 55.98 1fjd n GLU 73 Cb 0.56 -2.11 -0.04 0.00 1.43 0.00 0.00 31.44 31.28 1fjd n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1fjd n ASP 74 N 3.06 -5.23 0.00 -1.84 2.03 -1.25 -4.66 116.55 108.66 1fjd n ASP 74 Ca 0.41 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.98 1fjd n ASP 74 Cb 0.52 -3.92 0.00 0.00 -0.72 0.00 0.00 41.12 37.00 1fjd n ASP 74 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1fjd n LYS 75 N -0.83 -0.13 -0.97 -0.67 4.81 -1.26 -5.04 118.16 114.07 1fjd n LYS 75 Ca -0.10 -0.38 0.00 0.00 -0.87 0.00 0.00 58.31 56.96 1fjd n LYS 75 Cb 0.55 -0.74 0.00 0.00 0.02 0.00 0.00 35.03 34.86 1fjd n LYS 75 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1fjd n ALA 76 N -0.04 -1.45 -0.07 3.14 0.00 -1.13 -4.03 120.51 116.92 1fjd n ALA 76 Ca 0.00 0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.66 1fjd n ALA 76 Cb 0.18 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.99 0.44 0.05 0.00 0.63 -1.15 -3.41 116.66 111.23 1fjd n ARG 77 Ca 0.00 0.17 -0.02 0.00 -0.92 0.00 0.00 57.85 57.08 1fjd n ARG 77 Cb 0.25 -1.27 -0.01 0.00 0.45 0.00 0.00 32.46 31.89 1fjd n ARG 77 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1fjd h GLN 78 N -0.83 -0.13 0.00 -0.14 7.50 -1.83 1.81 115.11 121.49 1fjd h GLN 78 Ca 0.00 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.16 1fjd h GLN 78 Cb 0.83 0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.38 1fjd h GLN 78 CO 0.00 -0.08 0.01 0.78 -1.50 0.00 0.00 178.83 178.03 1fjd h GLY 79 N -0.16 0.00 -0.64 3.46 0.00 -1.86 0.68 103.07 104.55 1fjd h GLY 79 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1fjd h GLY 79 CO 0.02 0.00 -0.22 0.61 0.00 0.00 0.00 176.54 176.95 1fjd n GLY 80 N -1.17 -0.02 3.21 4.60 0.00 -0.99 -4.91 105.19 105.91 1fjd n GLY 80 Ca -0.02 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1fjd n GLY 80 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1fjd n ASP 81 N 0.05 -0.55 -0.38 1.61 -0.08 0.61 -4.66 116.55 113.15 1fjd n ASP 81 Ca 0.13 -0.17 0.34 0.00 -1.51 0.00 0.00 54.79 53.58 1fjd n ASP 81 Cb 0.43 -0.66 0.61 0.00 2.34 0.00 0.00 41.12 43.84 1fjd n ASP 81 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1fjd h LEU 82 N 10.54 0.30 0.00 -2.67 4.07 -1.82 -3.47 115.31 122.27 1fjd h LEU 82 Ca -0.00 0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.17 1fjd h LEU 82 Cb 1.12 0.21 0.00 0.00 1.08 0.00 0.00 40.66 43.07 1fjd h LEU 82 CO 1.39 -0.34 0.00 0.61 -1.08 0.00 0.00 178.44 179.02 1fjd n GLY 83 N -1.36 -0.04 3.49 0.83 0.00 -1.26 -5.03 105.19 101.82 1fjd n GLY 83 Ca 0.38 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 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 0.00 -0.02 -3.74 1.61 7.02 -1.26 -4.04 117.44 117.01 1fjd n TRP 84 Ca 0.00 0.63 -0.12 0.00 -1.02 0.00 0.00 57.50 56.98 1fjd n TRP 84 Cb 0.00 -2.06 -0.12 0.00 -2.42 0.00 0.00 31.31 26.72 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 -1.63 0.32 0.10 -0.99 -1.94 -0.95 -4.92 119.30 109.29 1fjd s MET 85 Ca 0.63 0.52 0.07 0.00 -1.71 0.00 0.00 55.69 55.19 1fjd s MET 85 Cb -0.62 0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.24 1fjd s MET 85 CO 0.58 -0.10 -0.07 0.95 -0.01 0.00 0.00 175.02 176.37 1fjd s THR 86 N 0.68 3.55 -0.84 2.05 -4.23 -1.25 -1.17 115.64 114.42 1fjd s THR 86 Ca -0.04 -1.20 -0.25 0.00 -1.18 0.00 0.00 61.69 59.01 1fjd s THR 86 Cb -0.05 -2.67 -0.11 0.00 1.34 0.00 0.00 72.50 71.01 1fjd s THR 86 CO -0.04 0.11 2.23 -0.60 -0.54 0.00 0.00 174.62 175.77 1fjd s ARG 87 N -2.26 1.95 0.00 3.99 3.52 -1.22 -3.14 118.95 121.79 1fjd s ARG 87 Ca 0.23 0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.99 1fjd s ARG 87 Cb -0.11 -4.90 0.00 0.00 -1.56 0.00 0.00 34.95 28.38 1fjd s ARG 87 CO 0.15 -4.07 0.00 0.41 -0.81 0.00 0.00 175.30 170.98 1fjd n GLY 88 N 6.81 0.12 0.01 8.12 0.00 -1.26 -4.95 105.19 114.04 1fjd n GLY 88 Ca 0.44 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.54 1fjd n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1fjd n SER 89 N 0.00 1.03 -0.11 1.61 2.88 -1.19 -4.95 113.62 112.90 1fjd n SER 89 Ca 0.00 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 1fjd n SER 89 Cb 0.00 1.50 0.00 0.00 -0.75 0.00 0.00 64.21 64.96 1fjd n SER 89 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1fjd n MET 90 N -1.84 3.32 0.00 -1.46 0.00 -1.26 -5.09 117.12 110.79 1fjd n MET 90 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1fjd n MET 90 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.59 1fjd n MET 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1fjd n VAL 91 N 0.00 0.00 0.00 1.12 0.31 -1.26 -5.04 118.33 113.45 1fjd n VAL 91 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1fjd n VAL 91 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1fjd n VAL 91 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fjd n GLY 92 N 3.85 0.28 0.34 2.92 0.00 -1.26 -4.22 105.19 107.09 1fjd n GLY 92 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1fjd n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fjd h PRO 93 N 0.00 1.16 -0.95 1.61 0.13 -1.96 -2.43 132.00 129.56 1fjd h PRO 93 Ca 0.00 -0.12 0.27 0.00 -0.87 0.00 0.00 66.00 65.28 1fjd h PRO 93 Cb 0.00 -0.24 -0.14 0.00 0.13 0.00 0.00 31.00 30.75 1fjd h PRO 93 CO 0.00 0.83 0.46 0.35 -0.23 0.00 0.00 178.00 179.41 1fjd h PHE 94 N 1.17 0.75 0.12 1.56 3.04 -1.91 -1.68 116.94 120.00 1fjd h PHE 94 Ca 0.30 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.29 1fjd h PHE 94 Cb -0.02 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.31 1fjd h PHE 94 CO 0.00 -0.12 -0.06 1.96 -2.02 0.00 0.00 178.31 178.08 1fjd h GLN 95 N 0.36 -0.16 0.00 1.11 4.20 -1.61 -3.19 115.11 115.81 1fjd h GLN 95 Ca 0.64 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.36 1fjd h GLN 95 Cb 1.34 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.16 1fjd h GLN 95 CO -0.58 0.29 0.00 0.39 -0.67 0.00 0.00 178.83 178.26 1fjd n GLU 96 N -4.86 0.00 -0.53 1.46 -0.58 -0.67 0.28 120.64 115.73 1fjd n GLU 96 Ca -0.07 0.69 0.43 0.00 -0.42 0.00 0.00 57.16 57.78 1fjd n GLU 96 Cb 0.26 -1.23 0.71 0.00 -0.57 0.00 0.00 31.44 30.61 1fjd n GLU 96 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fjd h ALA 97 N -1.58 3.10 -2.30 0.62 0.00 -1.62 0.45 119.26 117.92 1fjd h ALA 97 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1fjd h ALA 97 Cb 0.00 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1fjd h ALA 97 CO 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 179.25 177.52 1fjd n ALA 98 N -2.64 0.00 -0.42 0.00 0.00 0.10 -3.71 120.51 113.84 1fjd n ALA 98 Ca 0.40 -0.05 0.40 0.00 0.00 0.00 0.00 53.44 54.20 1fjd n ALA 98 Cb 1.64 0.00 0.74 0.00 0.00 0.00 0.00 19.45 21.83 1fjd n ALA 98 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1fjd h PHE 99 N 0.00 0.00 -0.01 0.00 0.04 0.40 2.35 116.94 119.72 1fjd h PHE 99 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1fjd h PHE 99 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1fjd h PHE 99 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 1fjd n ALA 100 N -2.73 2.59 -2.48 2.45 0.00 0.16 -4.89 120.51 115.61 1fjd n ALA 100 Ca 0.31 -0.41 -0.23 0.00 0.00 0.00 0.00 53.44 53.10 1fjd n ALA 100 Cb 1.52 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 1fjd n ALA 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1fjd s LEU 101 N -2.00 2.50 1.42 0.00 1.43 0.79 -4.98 118.68 117.85 1fjd s LEU 101 Ca 0.39 -1.28 -0.23 0.00 -1.03 0.00 0.00 54.13 51.99 1fjd s LEU 101 Cb 0.21 -0.65 0.36 0.00 0.03 0.00 0.00 46.19 46.14 1fjd s LEU 101 CO 0.34 -0.42 0.85 -0.81 0.23 0.00 0.00 176.35 176.54 1fjd n PRO 102 N -0.71 -4.48 -4.22 1.29 -0.04 -1.26 -4.88 135.00 120.70 1fjd n PRO 102 Ca -0.04 -1.33 -0.34 0.00 -0.04 0.00 0.00 63.50 61.75 1fjd n PRO 102 Cb 0.65 -1.92 -0.13 0.00 -0.04 0.00 0.00 33.50 32.06 1fjd n PRO 102 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1fjd s VAL 103 N -2.14 3.85 0.00 0.52 0.11 -1.26 -4.72 120.40 116.76 1fjd s VAL 103 Ca 0.65 -0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 1fjd s VAL 103 Cb -0.13 -2.71 0.00 0.00 -1.53 0.00 0.00 36.38 32.00 1fjd s VAL 103 CO 0.56 0.46 0.00 -1.20 -3.33 0.00 0.00 175.10 171.59 1fjd n SER 104 N 3.96 0.00 -0.22 3.54 7.64 1.03 -4.81 113.62 124.75 1fjd n SER 104 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1fjd n SER 104 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 1fjd n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fjd n GLY 105 N 0.00 -0.08 1.90 0.23 0.00 -1.25 -4.74 105.19 101.25 1fjd n GLY 105 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.45 0.00 -3.08 1.61 0.00 -1.26 -4.34 117.12 109.60 1fjd n MET 106 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.70 57.40 1fjd n MET 106 Cb 0.00 -3.29 0.03 0.00 0.00 0.00 0.00 33.22 29.95 1fjd n MET 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 1fjd n ASP 107 N 1.90 -4.22 0.00 6.12 5.75 -1.26 -4.66 116.55 120.17 1fjd n ASP 107 Ca 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 54.79 54.54 1fjd n ASP 107 Cb 0.50 -1.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.33 1fjd n ASP 107 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1fjd n LYS 108 N -0.47 0.00 0.00 0.11 0.00 -1.26 -4.99 118.16 111.54 1fjd n LYS 108 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.21 1fjd n LYS 108 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.58 1fjd n LYS 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1fjd n PRO 109 N 0.00 0.00 -0.54 1.64 -0.05 -1.26 -4.85 135.00 129.94 1fjd n PRO 109 Ca 0.00 0.30 -0.12 0.00 -0.05 0.00 0.00 63.50 63.63 1fjd n PRO 109 Cb 0.00 -1.05 0.12 0.00 -0.05 0.00 0.00 33.50 32.52 1fjd n PRO 109 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 175.50 177.00 1fjd n VAL 110 N -1.40 0.00 -0.07 0.52 3.14 -1.26 -4.98 118.33 114.27 1fjd n VAL 110 Ca 0.00 -0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 1fjd n VAL 110 Cb 0.00 -0.39 -0.06 0.00 -1.06 0.00 0.00 33.84 32.33 1fjd n VAL 110 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1fjd n PHE 111 N -4.14 0.00 0.00 1.45 3.01 -1.26 -5.03 117.46 111.49 1fjd n PHE 111 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1fjd n PHE 111 Cb 0.24 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.18 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 -3.29 0.00 -3.75 4.37 5.66 -1.26 -4.93 114.28 111.08 1fjd n THR 112 Ca -0.27 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.37 1fjd n THR 112 Cb 0.73 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.44 1fjd n THR 112 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1fjd s ASP 113 N -1.61 6.34 0.08 1.09 -4.77 -1.26 -4.97 116.67 111.57 1fjd s ASP 113 Ca 0.00 0.40 -0.31 0.00 -3.30 0.00 0.00 52.55 49.34 1fjd s ASP 113 Cb 0.00 -2.10 -0.18 0.00 -1.09 0.00 0.00 42.92 39.55 1fjd s ASP 113 CO 0.00 0.26 1.65 -0.65 0.70 0.00 0.00 175.17 177.13 1fjd h PRO 114 N 5.93 -0.68 -5.06 2.11 0.11 -1.92 -3.33 132.00 129.16 1fjd h PRO 114 Ca -0.47 0.05 -0.37 0.00 0.11 0.00 0.00 66.00 65.32 1fjd h PRO 114 Cb 1.19 0.15 0.03 0.00 0.11 0.00 0.00 31.00 32.48 1fjd h PRO 114 CO 0.68 -0.45 1.15 -0.35 -0.21 0.00 0.00 178.00 178.82 1fjd n PRO 115 N -5.40 0.93 -3.36 1.05 -0.05 -1.21 -3.10 135.00 123.86 1fjd n PRO 115 Ca -0.12 -1.88 -0.32 0.00 -0.05 0.00 0.00 63.50 61.13 1fjd n PRO 115 Cb 0.30 -3.38 -0.05 0.00 -0.05 0.00 0.00 33.50 30.32 1fjd n PRO 115 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 1fjd s VAL 116 N 10.50 4.89 -0.07 0.52 -7.23 0.56 -4.33 120.40 125.24 1fjd s VAL 116 Ca 0.69 0.55 -0.03 0.00 -1.81 0.00 0.00 61.98 61.38 1fjd s VAL 116 Cb 0.05 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 1fjd s VAL 116 CO 0.18 -0.10 0.07 -0.75 -0.31 0.00 0.00 175.10 174.19 1fjd s LYS 117 N -2.88 3.16 0.00 4.82 2.20 -1.25 -0.97 119.74 124.82 1fjd s LYS 117 Ca 0.49 -0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1fjd s LYS 117 Cb -0.11 -2.95 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 1fjd s LYS 117 CO 0.21 0.71 0.00 -2.37 -0.36 0.00 0.00 175.35 173.54 1fjd n THR 118 N 1.79 0.00 0.00 3.43 5.66 -1.25 -4.90 114.28 119.02 1fjd n THR 118 Ca -0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 1fjd n THR 118 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 1fjd n THR 118 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1fjd n LYS 119 N 0.00 0.00 -0.31 1.09 5.02 -1.26 -4.97 118.16 117.72 1fjd n LYS 119 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1fjd n LYS 119 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1fjd n LYS 119 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1fjd n PHE 120 N -1.44 0.00 0.00 2.13 3.72 -1.26 -5.12 117.46 115.49 1fjd n PHE 120 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1fjd n PHE 120 Cb 0.00 0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 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 0.00 -0.54 3.46 1.37 0.00 -1.26 -5.00 105.19 103.22 1fjd n GLY 121 Ca 0.00 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 -4.00 2.66 0.02 1.61 2.02 -1.26 -3.75 117.35 114.65 1fjd s TYR 122 Ca 0.00 -0.19 -0.00 0.00 -0.37 0.00 0.00 57.07 56.51 1fjd s TYR 122 Cb 0.00 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 1fjd s TYR 122 CO 0.00 0.18 -0.02 -3.38 -1.57 0.00 0.00 175.55 170.75 1fjd s HIS 123 N -0.75 0.26 -0.30 2.71 -3.43 -0.14 -3.36 115.29 110.28 1fjd s HIS 123 Ca 0.12 -0.53 -0.21 0.00 -0.80 0.00 0.00 55.06 53.64 1fjd s HIS 123 Cb -0.11 -0.19 -0.01 0.00 -1.43 0.00 0.00 32.58 30.85 1fjd s HIS 123 CO 0.01 -0.20 0.67 0.42 -2.00 0.00 0.00 174.74 173.64 1fjd s ILE 124 N -1.52 4.91 0.09 -5.38 1.01 0.26 -0.32 121.20 120.24 1fjd s ILE 124 Ca -0.15 0.95 -0.15 0.00 0.00 0.00 0.00 60.65 61.29 1fjd s ILE 124 Cb -0.09 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 1fjd s ILE 124 CO -0.01 -0.16 0.51 -0.63 0.00 0.00 0.00 174.94 174.65 1fjd s ILE 125 N 2.69 4.88 -0.27 2.92 1.01 -1.18 -2.24 121.20 129.01 1fjd s ILE 125 Ca 0.27 0.90 -0.03 0.00 0.00 0.00 0.00 60.65 61.79 1fjd s ILE 125 Cb -0.15 -3.77 0.09 0.00 0.01 0.00 0.00 42.46 38.65 1fjd s ILE 125 CO 0.12 0.40 0.11 -0.32 0.00 0.00 0.00 174.94 175.25 1fjd s MET 126 N -1.53 0.31 -0.12 2.79 -2.45 -0.30 -4.37 119.30 113.63 1fjd s MET 126 Ca 0.32 -0.55 -0.21 0.00 -1.25 0.00 0.00 55.69 54.00 1fjd s MET 126 Cb -0.16 -1.50 -0.04 0.00 1.25 0.00 0.00 34.83 34.38 1fjd s MET 126 CO 0.18 -0.93 0.59 0.08 1.05 0.00 0.00 175.02 175.99 1fjd s VAL 127 N 1.99 5.10 -0.31 10.11 1.01 -1.23 -0.86 120.40 136.21 1fjd s VAL 127 Ca 0.07 1.17 0.02 0.00 0.00 0.00 0.00 61.98 63.25 1fjd s VAL 127 Cb -0.16 -3.92 0.16 0.00 0.00 0.00 0.00 36.38 32.45 1fjd s VAL 127 CO -0.28 0.25 0.39 -0.70 0.00 0.00 0.00 175.10 174.76 1fjd s GLU 128 N 1.02 0.47 0.00 2.72 2.56 0.83 0.34 118.70 126.63 1fjd s GLU 128 Ca 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 54.97 55.11 1fjd s GLU 128 Cb -0.16 -0.45 0.00 0.00 2.00 0.00 0.00 34.13 35.52 1fjd s GLU 128 CO 0.13 -1.08 0.00 0.41 -0.56 0.00 0.00 175.26 174.16 1fjd n GLY 129 N 5.06 1.01 3.71 -1.50 0.00 -1.26 -3.11 105.19 109.08 1fjd n GLY 129 Ca 0.03 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 1fjd n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fjd s ARG 130 N -0.11 2.49 0.00 1.61 0.52 -1.25 -1.31 118.95 120.90 1fjd s ARG 130 Ca 0.00 -1.32 0.18 0.00 -0.52 0.00 0.00 55.73 54.07 1fjd s ARG 130 Cb 0.00 -2.29 0.14 0.00 0.52 0.00 0.00 34.95 33.32 1fjd s ARG 130 CO 0.00 0.36 1.06 1.63 0.02 0.00 0.00 175.30 178.37