#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 2.07 0.00 1.61 3.41 -1.26 -4.90 113.62 114.55 1fjd n SER 29 Ca 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 1fjd n SER 29 Cb 0.00 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.53 1fjd n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fjd n GLY 30 N 0.97 -0.57 0.92 5.00 0.00 -1.26 -5.16 105.19 105.08 1fjd n GLY 30 Ca 0.07 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 1fjd n GLY 30 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fjd n PRO 31 N 0.00 -2.69 -2.22 1.61 -0.01 -1.26 -4.85 135.00 125.57 1fjd n PRO 31 Ca 0.00 -0.43 -0.43 0.00 -0.01 0.00 0.00 63.50 62.64 1fjd n PRO 31 Cb 0.00 -0.53 -0.02 0.00 -0.01 0.00 0.00 33.50 32.93 1fjd n PRO 31 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 175.50 175.70 1fjd s LYS 32 N -3.61 4.02 -0.23 -0.52 2.20 -1.26 -4.89 119.74 115.46 1fjd s LYS 32 Ca 0.19 1.71 -0.19 0.00 -0.36 0.00 0.00 55.97 57.32 1fjd s LYS 32 Cb -0.03 -3.93 -0.17 0.00 -1.51 0.00 0.00 37.83 32.19 1fjd s LYS 32 CO 0.16 -1.01 0.05 0.41 -0.36 0.00 0.00 175.35 174.60 1fjd n GLY 33 N 4.20 -0.74 0.00 5.54 0.00 -1.26 -5.03 105.19 107.90 1fjd n GLY 33 Ca 0.16 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 1.38 3.11 3.97 -0.02 0.00 -1.26 -5.13 105.19 107.24 1fjd n GLY 34 Ca -0.38 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 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 2.00 -1.34 -0.02 0.00 -1.26 -4.15 107.32 102.55 1fjd s GLY 35 Ca 0.00 -1.81 -0.06 0.00 0.00 0.00 0.00 44.72 42.85 1fjd s GLY 35 CO 0.00 -1.68 0.76 -2.01 0.00 0.00 0.00 173.10 170.17 1fjd n ASN 36 N -1.89 -5.83 -4.01 1.64 2.85 -1.26 -4.80 115.26 101.96 1fjd n ASN 36 Ca 0.08 -0.35 -0.10 0.00 -0.11 0.00 0.00 54.58 54.09 1fjd n ASN 36 Cb 0.61 -4.57 -0.11 0.00 1.24 0.00 0.00 39.78 36.95 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 -3.19 0.28 -0.00 5.20 0.00 -1.26 -3.48 121.76 119.31 1fjd s ALA 37 Ca 0.38 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 1fjd s ALA 37 Cb -0.17 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1fjd s ALA 37 CO 0.47 -0.13 0.28 0.14 0.00 0.00 0.00 175.76 176.51 1fjd s VAL 38 N -1.58 0.07 -0.94 0.00 -7.23 -1.01 0.45 120.40 110.16 1fjd s VAL 38 Ca -0.13 -0.54 -0.19 0.00 -1.81 0.00 0.00 61.98 59.31 1fjd s VAL 38 Cb -0.09 -0.62 0.13 0.00 0.56 0.00 0.00 36.38 36.36 1fjd s VAL 38 CO -0.01 -0.30 1.15 -0.75 -0.31 0.00 0.00 175.10 174.88 1fjd s LYS 39 N -1.48 3.61 0.07 4.82 2.36 -1.19 -2.17 119.74 125.77 1fjd s LYS 39 Ca -0.13 -1.76 0.02 0.00 -2.55 0.00 0.00 55.97 51.55 1fjd s LYS 39 Cb -0.05 -4.94 -0.04 0.00 -1.05 0.00 0.00 37.83 31.75 1fjd s LYS 39 CO 0.03 -1.79 0.15 0.14 1.55 0.00 0.00 175.35 175.43 1fjd s VAL 40 N 2.75 4.98 0.06 4.02 -7.23 -1.25 0.26 120.40 123.99 1fjd s VAL 40 Ca 0.34 -0.58 0.05 0.00 -1.81 0.00 0.00 61.98 59.97 1fjd s VAL 40 Cb -0.04 -3.42 -0.03 0.00 0.56 0.00 0.00 36.38 33.45 1fjd s VAL 40 CO -0.09 0.12 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.55 1fjd s ARG 41 N -2.49 0.83 -0.02 4.82 0.52 0.59 -2.38 118.95 120.82 1fjd s ARG 41 Ca 0.32 -0.87 0.03 0.00 -0.52 0.00 0.00 55.73 54.69 1fjd s ARG 41 Cb -0.13 -0.82 -0.00 0.00 0.52 0.00 0.00 34.95 34.52 1fjd s ARG 41 CO 0.25 0.19 -0.10 -1.01 0.02 0.00 0.00 175.30 174.65 1fjd s HIS 42 N -1.14 1.02 -0.09 -0.53 3.76 -1.24 -0.50 115.29 116.56 1fjd s HIS 42 Ca -0.01 -0.23 -0.01 0.00 -0.15 0.00 0.00 55.06 54.65 1fjd s HIS 42 Cb -0.09 -0.69 0.03 0.00 1.11 0.00 0.00 32.58 32.93 1fjd s HIS 42 CO 0.02 -0.07 -0.03 -1.50 -0.85 0.00 0.00 174.74 172.31 1fjd s ILE 43 N -0.01 0.61 0.12 0.60 2.07 -1.02 0.62 121.20 124.19 1fjd s ILE 43 Ca -0.00 -0.02 0.10 0.00 -1.41 0.00 0.00 60.65 59.31 1fjd s ILE 43 Cb -0.07 -0.72 -0.04 0.00 0.13 0.00 0.00 42.46 41.77 1fjd s ILE 43 CO 0.00 0.30 -0.24 -0.22 -1.91 0.00 0.00 174.94 172.87 1fjd s LEU 44 N 1.88 2.32 -0.29 8.50 2.96 0.08 0.21 118.68 134.34 1fjd s LEU 44 Ca 0.05 -0.73 0.02 0.00 -0.22 0.00 0.00 54.13 53.25 1fjd s LEU 44 Cb -0.12 -1.07 0.08 0.00 0.50 0.00 0.00 46.19 45.57 1fjd s LEU 44 CO -0.06 0.12 -0.01 0.00 -1.32 0.00 0.00 176.35 175.08 1fjd h GLU 46 N 7.79 0.00 -0.01 0.00 4.57 -1.90 0.43 114.58 125.45 1fjd h GLU 46 Ca -0.12 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1fjd h GLU 46 Cb 1.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 1fjd h GLU 46 CO 0.47 0.00 0.00 0.36 -1.18 0.00 0.00 179.01 178.66 1fjd n LYS 47 N -2.72 0.33 -1.10 1.92 2.85 -1.26 -4.97 118.16 113.21 1fjd n LYS 47 Ca -0.02 -0.88 -0.06 0.00 -1.05 0.00 0.00 58.31 56.30 1fjd n LYS 47 Cb 0.47 -1.03 -0.03 0.00 -0.65 0.00 0.00 35.03 33.79 1fjd n LYS 47 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1fjd n HIS 48 N -0.05 -0.04 0.02 5.58 8.25 0.15 -4.83 115.22 124.30 1fjd n HIS 48 Ca 0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.45 1fjd n HIS 48 Cb 0.11 -2.29 -0.01 0.00 1.12 0.00 0.00 29.99 28.92 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 -0.11 2.00 -1.41 0.00 -1.93 -3.34 103.07 98.28 1fjd h GLY 49 Ca -0.13 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1fjd h GLY 49 CO 0.19 -0.04 0.00 0.50 0.00 0.00 0.00 176.54 177.19 1fjd h LYS 50 N -0.50 0.00 -1.19 4.80 6.56 -1.90 -3.09 116.57 121.24 1fjd h LYS 50 Ca -0.01 0.00 0.34 0.00 -1.06 0.00 0.00 60.65 59.92 1fjd h LYS 50 Cb 0.08 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.65 1fjd h LYS 50 CO 0.02 0.00 0.80 0.97 -2.06 0.00 0.00 179.45 179.18 1fjd h ILE 51 N 0.00 0.38 0.12 1.86 -0.00 -1.79 2.64 117.51 120.72 1fjd h ILE 51 Ca 0.00 -0.06 -0.35 0.00 -0.00 0.00 0.00 64.86 64.45 1fjd h ILE 51 Cb 0.68 0.18 -0.02 0.00 -0.00 0.00 0.00 36.82 37.66 1fjd h ILE 51 CO 0.00 0.03 -1.88 0.00 -0.00 0.00 0.00 178.15 176.30 1fjd h MET 52 N 0.18 0.25 -0.48 2.19 -0.00 -1.70 -3.24 114.93 112.14 1fjd h MET 52 Ca 0.65 -0.43 0.10 0.00 -0.00 0.00 0.00 59.70 60.01 1fjd h MET 52 Cb 2.08 0.16 -0.02 0.00 -0.00 0.00 0.00 31.60 33.82 1fjd h MET 52 CO -0.21 1.13 0.33 1.49 -0.00 0.00 0.00 176.91 179.66 1fjd h GLU 53 N 0.07 0.19 -0.26 -0.10 4.81 0.17 2.30 114.58 121.76 1fjd h GLU 53 Ca -0.38 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.92 1fjd h GLU 53 Cb 2.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 1fjd h GLU 53 CO 0.11 0.13 0.19 0.00 -0.73 0.00 0.00 179.01 178.70 1fjd h ALA 54 N 1.76 2.23 0.22 2.92 0.00 0.42 0.40 119.26 127.21 1fjd h ALA 54 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1fjd h ALA 54 Cb 0.63 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1fjd h ALA 54 CO -0.04 -0.32 -0.10 0.52 0.00 0.00 0.00 179.25 179.31 1fjd h MET 55 N 0.00 -0.28 0.60 0.00 2.86 0.37 -3.01 114.93 115.48 1fjd h MET 55 Ca 0.12 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1fjd h MET 55 Cb 0.50 0.06 0.01 0.00 0.06 0.00 0.00 31.60 32.23 1fjd h MET 55 CO -0.00 -0.08 -0.29 0.93 1.06 0.00 0.00 176.91 178.53 1fjd h GLU 56 N -1.04 -0.78 0.00 1.72 4.39 -0.90 -2.84 114.58 115.13 1fjd h GLU 56 Ca -0.03 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1fjd h GLU 56 Cb 0.33 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1fjd h GLU 56 CO 0.05 -0.47 0.00 1.63 -1.16 0.00 0.00 179.01 179.06 1fjd n LYS 57 N -5.38 0.00 -0.52 2.33 5.02 0.14 -0.14 118.16 119.61 1fjd n LYS 57 Ca -0.12 0.80 0.42 0.00 -2.02 0.00 0.00 58.31 57.39 1fjd n LYS 57 Cb 0.35 -1.45 0.67 0.00 -0.02 0.00 0.00 35.03 34.58 1fjd n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1fjd n LEU 58 N -2.51 0.10 -0.03 -0.35 4.32 -1.14 -1.80 117.00 115.59 1fjd n LEU 58 Ca 0.00 1.07 -0.00 0.00 -0.02 0.00 0.00 56.01 57.06 1fjd n LEU 58 Cb 0.00 -0.53 -0.00 0.00 -1.62 0.00 0.00 43.42 41.27 1fjd n LEU 58 CO 0.00 -1.13 -0.00 0.11 -1.22 0.00 0.00 177.39 175.15 1fjd h LYS 59 N 0.00 0.00 -0.20 3.23 1.79 -0.28 -3.40 116.57 117.72 1fjd h LYS 59 Ca 0.81 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 59.30 1fjd h LYS 59 Cb 2.93 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 33.56 1fjd h LYS 59 CO -0.22 0.00 -0.12 -1.13 -1.08 0.00 0.00 179.45 176.90 1fjd n SER 60 N -3.67 -0.21 0.00 0.86 3.41 -0.15 -4.75 113.62 109.10 1fjd n SER 60 Ca -0.00 0.89 0.00 0.00 -0.26 0.00 0.00 58.87 59.50 1fjd n SER 60 Cb 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.05 0.00 0.00 5.00 0.00 -1.18 -5.12 105.19 102.83 1fjd n GLY 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fjd n GLY 61 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1fjd n MET 62 N 0.00 1.80 -2.40 1.61 0.00 -1.24 -5.03 117.12 111.86 1fjd n MET 62 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 1fjd n MET 62 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.18 1fjd n MET 62 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1fjd s ARG 63 N 0.94 4.56 -0.10 3.17 0.52 -1.26 -4.93 118.95 121.85 1fjd s ARG 63 Ca 0.00 1.88 0.04 0.00 -0.52 0.00 0.00 55.73 57.13 1fjd s ARG 63 Cb 0.00 -3.19 -0.24 0.00 0.52 0.00 0.00 34.95 32.04 1fjd s ARG 63 CO 0.00 0.07 0.44 0.34 0.02 0.00 0.00 175.30 176.18 1fjd n PHE 64 N 1.49 1.00 -0.01 -0.53 7.35 -1.26 -3.71 117.46 121.79 1fjd n PHE 64 Ca 0.00 0.28 -0.12 0.00 -0.76 0.00 0.00 57.45 56.85 1fjd n PHE 64 Cb 0.44 -1.15 -0.14 0.00 0.35 0.00 0.00 39.48 38.98 1fjd n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1fjd n ASN 65 N -3.23 1.21 0.14 -2.13 2.85 -1.26 -2.84 115.26 110.00 1fjd n ASN 65 Ca -0.26 0.36 -0.13 0.00 -0.11 0.00 0.00 54.58 54.43 1fjd n ASN 65 Cb 1.05 -0.28 -0.08 0.00 1.24 0.00 0.00 39.78 41.72 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 0.02 -0.37 0.00 1.20 3.07 -1.98 0.53 114.58 117.05 1fjd h GLU 66 Ca -0.33 0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.59 1fjd h GLU 66 Cb 2.02 0.09 -0.05 0.00 -0.84 0.00 0.00 28.75 29.97 1fjd h GLU 66 CO 0.08 -0.04 -0.30 -0.39 -1.40 0.00 0.00 179.01 176.95 1fjd h VAL 67 N -0.76 0.33 -1.06 3.13 -1.51 -1.74 0.45 116.25 115.09 1fjd h VAL 67 Ca -0.04 0.00 0.30 0.00 -1.23 0.00 0.00 66.70 65.73 1fjd h VAL 67 Cb 0.50 0.33 -0.12 0.00 -2.13 0.00 0.00 31.29 29.88 1fjd h VAL 67 CO 0.07 0.00 0.65 0.00 -1.23 0.00 0.00 177.57 177.05 1fjd h ALA 68 N 0.30 2.11 0.02 5.19 0.00 -1.41 1.77 119.26 127.24 1fjd h ALA 68 Ca 0.06 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1fjd h ALA 68 Cb 0.54 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1fjd h ALA 68 CO -0.25 -0.62 -0.02 0.00 0.00 0.00 0.00 179.25 178.36 1fjd h ALA 69 N 1.70 -0.83 0.04 0.00 0.00 0.48 -3.10 119.26 117.55 1fjd h ALA 69 Ca 0.67 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 55.28 1fjd h ALA 69 Cb 1.61 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 1fjd h ALA 69 CO -0.44 -0.83 -1.60 0.94 0.00 0.00 0.00 179.25 177.33 1fjd n GLN 70 N -2.31 0.63 -0.40 0.00 0.00 -0.42 -4.05 117.38 110.84 1fjd n GLN 70 Ca -0.00 0.45 0.39 0.00 -0.00 0.00 0.00 57.00 57.84 1fjd n GLN 70 Cb 0.02 -1.72 0.75 0.00 0.00 0.00 0.00 30.24 29.29 1fjd n GLN 70 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 1fjd h TYR 71 N -0.64 0.00 0.00 3.69 -1.99 0.24 3.43 116.97 121.70 1fjd h TYR 71 Ca -0.40 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1fjd h TYR 71 Cb 1.57 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.30 1fjd h TYR 71 CO 0.08 0.00 0.00 0.45 -0.00 0.00 0.00 178.16 178.69 1fjd n SER 72 N -4.02 0.00 -2.50 3.88 2.88 -1.14 -3.79 113.62 108.93 1fjd n SER 72 Ca 0.30 -0.87 -0.07 0.00 -1.33 0.00 0.00 58.87 56.89 1fjd n SER 72 Cb 1.45 -0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 64.89 1fjd n SER 72 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1fjd n GLU 73 N -1.01 -0.97 0.00 -1.46 2.13 1.14 -0.74 120.64 119.73 1fjd n GLU 73 Ca 0.21 0.02 0.00 0.00 0.66 0.00 0.00 57.16 58.05 1fjd n GLU 73 Cb 0.10 -0.82 0.00 0.00 0.27 0.00 0.00 31.44 30.99 1fjd n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1fjd n ASP 74 N -0.10 0.00 0.00 4.31 2.03 -1.26 -4.59 116.55 116.94 1fjd n ASP 74 Ca -0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1fjd n ASP 74 Cb 0.12 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 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 0.00 0.00 0.00 -0.67 3.00 -1.26 -4.71 118.16 114.52 1fjd n LYS 75 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1fjd n LYS 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 8.09 0.00 -0.02 3.14 0.00 -1.26 -4.64 120.51 125.82 1fjd n ALA 76 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fjd n ALA 76 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1fjd n ALA 76 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1fjd h ARG 77 N 0.00 0.00 0.13 0.00 2.43 0.20 -2.66 114.38 114.49 1fjd h ARG 77 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1fjd h ARG 77 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1fjd h ARG 77 CO 0.00 0.00 -0.06 1.96 -1.51 0.00 0.00 179.97 180.36 1fjd h GLN 78 N -0.36 -0.17 0.00 0.20 4.20 -1.82 2.10 115.11 119.25 1fjd h GLN 78 Ca 0.00 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1fjd h GLN 78 Cb 0.03 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1fjd h GLN 78 CO 0.00 -0.12 -0.07 0.78 -0.67 0.00 0.00 178.83 178.76 1fjd h GLY 79 N -0.34 0.00 -2.01 3.46 0.00 -1.81 0.57 103.07 102.93 1fjd h GLY 79 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1fjd h GLY 79 CO 0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1fjd n GLY 80 N -1.32 1.45 3.41 4.60 0.00 -1.02 -4.92 105.19 107.39 1fjd n GLY 80 Ca -0.03 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 1.24 0.32 -0.24 1.61 2.03 0.71 -4.61 116.55 117.62 1fjd n ASP 81 Ca 0.19 0.22 0.31 0.00 0.52 0.00 0.00 54.79 56.03 1fjd n ASP 81 Cb 0.54 -0.90 0.61 0.00 -0.72 0.00 0.00 41.12 40.65 1fjd n ASP 81 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1fjd h LEU 82 N 11.49 0.00 0.00 -2.67 4.07 -1.75 -3.47 115.31 122.99 1fjd h LEU 82 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1fjd h LEU 82 Cb 1.29 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 43.03 1fjd h LEU 82 CO 1.33 0.00 -0.00 0.61 -1.08 0.00 0.00 178.44 179.30 1fjd n GLY 83 N -1.71 -2.19 3.49 0.83 0.00 -1.00 -4.84 105.19 99.77 1fjd n GLY 83 Ca 0.23 -1.49 -0.55 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.59 0.46 -3.74 1.61 7.02 -1.24 -3.81 117.44 117.14 1fjd n TRP 84 Ca 0.00 0.99 -0.12 0.00 -1.02 0.00 0.00 57.50 57.35 1fjd n TRP 84 Cb 0.00 -2.08 -0.11 0.00 -2.42 0.00 0.00 31.31 26.70 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 -0.24 0.40 0.09 -0.99 -1.94 -0.92 -4.87 119.30 110.82 1fjd s MET 85 Ca 0.83 0.56 0.04 0.00 -1.71 0.00 0.00 55.69 55.41 1fjd s MET 85 Cb -1.15 0.14 -0.04 0.00 2.01 0.00 0.00 34.83 35.79 1fjd s MET 85 CO 0.56 -0.08 0.04 0.95 -0.01 0.00 0.00 175.02 176.48 1fjd s THR 86 N 0.51 4.25 0.58 2.05 -4.23 -1.25 -2.40 115.64 115.14 1fjd s THR 86 Ca -0.03 -0.90 0.39 0.00 -1.18 0.00 0.00 61.69 59.97 1fjd s THR 86 Cb -0.04 -3.04 0.57 0.00 1.34 0.00 0.00 72.50 71.32 1fjd s THR 86 CO -0.03 0.12 1.56 -0.09 -0.54 0.00 0.00 174.62 175.64 1fjd h ARG 87 N 3.35 0.00 -1.49 3.99 2.43 -1.95 0.31 114.38 121.02 1fjd h ARG 87 Ca -0.47 0.00 0.44 0.00 -0.81 0.00 0.00 59.98 59.13 1fjd h ARG 87 Cb 1.16 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.65 1fjd h ARG 87 CO 0.63 0.00 1.06 0.78 -1.51 0.00 0.00 179.97 180.93 1fjd h GLY 88 N 0.00 0.19 -5.87 2.80 0.00 -1.93 -2.67 103.07 95.59 1fjd h GLY 88 Ca 0.66 -0.02 -0.49 0.00 0.00 0.00 0.00 47.33 47.48 1fjd h GLY 88 CO -0.01 -0.04 -1.06 -1.26 0.00 0.00 0.00 176.54 174.17 1fjd n SER 89 N -4.16 0.03 -1.20 0.19 2.88 0.11 -4.91 113.62 106.57 1fjd n SER 89 Ca 0.34 -2.90 0.05 0.00 -1.33 0.00 0.00 58.87 55.03 1fjd n SER 89 Cb 1.54 -0.32 0.08 0.00 -0.75 0.00 0.00 64.21 64.76 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 1.00 0.52 0.00 -1.46 0.00 -1.01 -4.79 117.12 111.38 1fjd n MET 90 Ca 0.21 -2.42 0.00 0.00 0.00 0.00 0.00 57.70 55.49 1fjd n MET 90 Cb 0.59 -0.53 0.00 0.00 0.00 0.00 0.00 33.22 33.28 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 -0.03 0.00 -0.01 1.12 0.31 -1.26 -2.31 118.33 116.15 1fjd n VAL 91 Ca 0.10 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1fjd n VAL 91 Cb 1.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.93 1fjd n VAL 91 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1fjd h GLY 92 N 0.00 0.00 0.97 2.92 0.00 -2.00 -3.37 103.07 101.60 1fjd h GLY 92 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1fjd h GLY 92 CO 0.00 0.00 -0.08 -2.55 0.00 0.00 0.00 176.54 173.91 1fjd h PRO 93 N -0.10 -0.22 -1.45 4.80 0.10 -1.94 -1.52 132.00 131.68 1fjd h PRO 93 Ca 0.00 0.01 0.47 0.00 0.10 0.00 0.00 66.00 66.59 1fjd h PRO 93 Cb 0.04 0.05 -0.12 0.00 0.10 0.00 0.00 31.00 31.07 1fjd h PRO 93 CO 0.00 -0.12 0.96 0.35 0.10 0.00 0.00 178.00 179.29 1fjd h PHE 94 N -0.26 0.42 0.01 0.65 3.57 -1.81 0.86 116.94 120.38 1fjd h PHE 94 Ca -0.02 0.02 -0.30 0.00 3.53 0.00 0.00 57.97 61.20 1fjd h PHE 94 Cb 0.20 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 1fjd h PHE 94 CO -0.06 -0.19 -1.72 0.94 -2.23 0.00 0.00 178.31 175.05 1fjd n GLN 95 N -4.57 0.64 -0.24 1.11 7.27 -0.97 -3.71 117.38 116.91 1fjd n GLN 95 Ca 0.39 0.30 0.01 0.00 0.07 0.00 0.00 57.00 57.77 1fjd n GLN 95 Cb 1.57 -1.79 0.08 0.00 2.41 0.00 0.00 30.24 32.51 1fjd n GLN 95 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1fjd h GLU 96 N 0.00 0.01 0.00 3.69 5.08 0.18 -0.23 114.58 123.31 1fjd h GLU 96 Ca -0.29 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1fjd h GLU 96 Cb 2.01 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.26 1fjd h GLU 96 CO 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.10 1fjd n ALA 97 N -3.14 0.00 -0.25 3.43 0.00 -1.15 -4.20 120.51 115.21 1fjd n ALA 97 Ca 0.09 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.63 1fjd n ALA 97 Cb 0.36 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.00 1fjd n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjd n ALA 98 N -1.14 0.33 -0.93 0.00 0.00 -1.24 0.11 120.51 117.63 1fjd n ALA 98 Ca 0.00 0.77 -0.12 0.00 0.00 0.00 0.00 53.44 54.08 1fjd n ALA 98 Cb 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 1fjd n ALA 98 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1fjd n PHE 99 N -5.00 0.61 0.00 0.00 7.35 -0.10 -3.81 117.46 116.51 1fjd n PHE 99 Ca 0.16 -1.54 0.00 0.00 -0.76 0.00 0.00 57.45 55.31 1fjd n PHE 99 Cb 0.51 -1.12 0.00 0.00 0.35 0.00 0.00 39.48 39.22 1fjd n PHE 99 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1fjd n ALA 100 N 1.49 0.00 -2.08 3.13 0.00 0.31 -4.82 120.51 118.54 1fjd n ALA 100 Ca 0.30 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.54 1fjd n ALA 100 Cb 0.66 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.13 1fjd n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1fjd s LEU 101 N -2.96 3.54 1.18 0.00 0.05 -0.83 -5.09 118.68 114.57 1fjd s LEU 101 Ca 0.00 -0.17 -0.15 0.00 0.05 0.00 0.00 54.13 53.86 1fjd s LEU 101 Cb 0.00 -2.80 0.28 0.00 -2.05 0.00 0.00 46.19 41.62 1fjd s LEU 101 CO 0.00 -0.87 1.03 -2.16 -0.55 0.00 0.00 176.35 173.80 1fjd s PRO 102 N -4.51 -1.06 0.78 1.48 0.04 -1.26 -4.87 135.00 125.60 1fjd s PRO 102 Ca 0.54 0.56 -0.09 0.00 0.04 0.00 0.00 61.00 62.05 1fjd s PRO 102 Cb -0.10 -1.56 0.09 0.00 0.04 0.00 0.00 34.50 32.97 1fjd s PRO 102 CO 0.35 -3.74 1.11 0.14 0.04 0.00 0.00 177.00 174.90 1fjd s VAL 103 N -2.58 2.14 0.00 -0.36 -7.23 -1.26 -4.86 120.40 106.24 1fjd s VAL 103 Ca 0.68 -0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.69 1fjd s VAL 103 Cb -0.21 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 33.76 1fjd s VAL 103 CO 0.62 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 174.21 1fjd n SER 104 N -3.17 0.00 -0.22 4.85 7.64 0.41 -4.52 113.62 118.62 1fjd n SER 104 Ca 0.10 0.00 0.03 0.00 1.01 0.00 0.00 58.87 60.00 1fjd n SER 104 Cb 0.60 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.80 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 -1.85 7.00 0.23 0.00 -1.26 -4.43 105.19 104.88 1fjd n GLY 105 Ca 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.40 0.00 -0.70 1.61 0.00 -1.26 -3.84 117.12 110.52 1fjd n MET 106 Ca -0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.70 57.61 1fjd n MET 106 Cb 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.20 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 9.13 3.72 -3.96 6.12 2.03 -1.26 -4.71 116.55 127.62 1fjd n ASP 107 Ca 0.00 -2.19 -0.31 0.00 0.52 0.00 0.00 54.79 52.81 1fjd n ASP 107 Cb 0.00 -1.00 -0.02 0.00 -0.72 0.00 0.00 41.12 39.38 1fjd n ASP 107 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1fjd n LYS 108 N 2.62 -0.62 0.28 -0.67 4.81 -1.25 -4.76 118.16 118.57 1fjd n LYS 108 Ca 0.30 -0.03 0.16 0.00 -0.87 0.00 0.00 58.31 57.87 1fjd n LYS 108 Cb 0.64 -2.05 0.81 0.00 0.02 0.00 0.00 35.03 34.45 1fjd n LYS 108 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1fjd h PRO 109 N -1.21 0.00 0.00 1.64 0.14 -1.85 -3.44 132.00 127.28 1fjd h PRO 109 Ca -0.53 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.61 1fjd h PRO 109 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.20 1fjd h PRO 109 CO 0.45 0.07 0.00 1.55 0.14 0.00 0.00 178.00 180.21 1fjd n VAL 110 N -3.37 0.00 -0.09 1.56 3.14 -1.26 -5.02 118.33 113.30 1fjd n VAL 110 Ca -0.01 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.17 1fjd n VAL 110 Cb 0.23 -1.53 -0.12 0.00 -1.06 0.00 0.00 33.84 31.36 1fjd n VAL 110 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 1fjd h PHE 111 N 0.00 0.04 -0.87 1.45 -1.00 -1.92 -3.47 116.94 111.16 1fjd h PHE 111 Ca 0.00 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1fjd h PHE 111 Cb 0.00 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1fjd h PHE 111 CO 0.00 1.37 0.00 -2.37 -1.61 0.00 0.00 178.31 175.70 1fjd n THR 112 N -4.43 0.00 -4.77 -1.55 5.66 -1.26 -5.04 114.28 102.89 1fjd n THR 112 Ca -0.26 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.43 1fjd n THR 112 Cb 0.65 -0.85 -0.13 0.00 -1.55 0.00 0.00 70.33 68.45 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 -1.58 3.74 0.08 1.09 1.01 -1.26 -4.91 116.67 114.85 1fjd s ASP 113 Ca 0.00 -0.40 -0.30 0.00 0.71 0.00 0.00 52.55 52.56 1fjd s ASP 113 Cb 0.00 -0.61 -0.16 0.00 1.01 0.00 0.00 42.92 43.15 1fjd s ASP 113 CO 0.00 0.28 1.65 -0.65 0.21 0.00 0.00 175.17 176.66 1fjd h PRO 114 N 4.78 -0.62 -5.16 8.23 0.11 -1.89 -3.34 132.00 134.10 1fjd h PRO 114 Ca -0.47 0.04 -0.23 0.00 0.11 0.00 0.00 66.00 65.46 1fjd h PRO 114 Cb 1.15 0.14 0.01 0.00 0.11 0.00 0.00 31.00 32.41 1fjd h PRO 114 CO 0.48 -0.41 0.69 -0.35 -0.21 0.00 0.00 178.00 178.19 1fjd n PRO 115 N -5.38 0.71 -3.82 1.05 -0.05 -1.22 -2.52 135.00 123.76 1fjd n PRO 115 Ca -0.11 -1.91 -0.31 0.00 -0.05 0.00 0.00 63.50 61.12 1fjd n PRO 115 Cb 0.29 -3.65 -0.04 0.00 -0.05 0.00 0.00 33.50 30.05 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 13.26 5.30 0.06 0.52 -7.23 0.67 -4.56 120.40 128.42 1fjd s VAL 116 Ca 0.74 -0.24 0.01 0.00 -1.81 0.00 0.00 61.98 60.68 1fjd s VAL 116 Cb 0.00 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.27 1fjd s VAL 116 CO 0.18 0.09 0.17 -0.75 -0.31 0.00 0.00 175.10 174.48 1fjd s LYS 117 N -2.61 3.26 0.00 4.82 2.36 -1.24 -0.09 119.74 126.24 1fjd s LYS 117 Ca 0.37 -0.51 0.00 0.00 -2.55 0.00 0.00 55.97 53.28 1fjd s LYS 117 Cb -0.13 -2.94 0.00 0.00 -1.05 0.00 0.00 37.83 33.71 1fjd s LYS 117 CO 0.27 0.60 0.00 0.25 1.55 0.00 0.00 175.35 178.02 1fjd n THR 118 N 0.38 0.00 -2.29 3.43 -2.24 -1.25 -4.94 114.28 107.37 1fjd n THR 118 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1fjd n THR 118 Cb 0.51 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 1fjd n THR 118 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1fjd n LYS 119 N -2.33 0.00 0.00 -0.78 5.02 -1.26 -4.93 118.16 113.88 1fjd n LYS 119 Ca 0.00 -1.54 0.00 0.00 -2.02 0.00 0.00 58.31 54.75 1fjd n LYS 119 Cb 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 35.03 35.14 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 0.29 -0.46 0.00 2.13 3.72 -1.26 -5.14 117.46 116.74 1fjd n PHE 120 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1fjd n PHE 120 Cb 0.95 0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.64 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 -0.39 -1.23 2.87 1.37 0.00 -1.26 -5.02 105.19 101.52 1fjd n GLY 121 Ca 0.00 0.63 -0.15 0.00 0.00 0.00 0.00 46.02 46.50 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 0.00 -0.16 0.09 1.61 1.51 -1.26 -3.72 117.35 115.42 1fjd s TYR 122 Ca 0.00 0.53 0.07 0.00 -1.01 0.00 0.00 57.07 56.65 1fjd s TYR 122 Cb 0.00 -0.19 -0.03 0.00 -0.11 0.00 0.00 41.96 41.63 1fjd s TYR 122 CO 0.00 -0.22 -0.17 -3.38 -1.11 0.00 0.00 175.55 170.67 1fjd s HIS 123 N 1.74 1.48 -0.49 2.71 -3.43 0.87 -2.65 115.29 115.52 1fjd s HIS 123 Ca -0.03 -0.44 -0.22 0.00 -0.80 0.00 0.00 55.06 53.57 1fjd s HIS 123 Cb -0.12 -0.82 0.04 0.00 -1.43 0.00 0.00 32.58 30.25 1fjd s HIS 123 CO -0.06 0.13 0.77 0.42 -2.00 0.00 0.00 174.74 174.00 1fjd s ILE 124 N -1.25 4.65 -0.42 -5.38 1.01 0.57 -0.24 121.20 120.14 1fjd s ILE 124 Ca 0.02 0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.57 1fjd s ILE 124 Cb -0.10 -4.37 0.02 0.00 0.01 0.00 0.00 42.46 38.03 1fjd s ILE 124 CO 0.03 -0.84 0.72 -0.63 0.00 0.00 0.00 174.94 174.22 1fjd s ILE 125 N 3.27 4.75 -0.60 2.92 1.01 -1.05 -2.44 121.20 129.06 1fjd s ILE 125 Ca 0.25 0.42 -0.10 0.00 0.00 0.00 0.00 60.65 61.23 1fjd s ILE 125 Cb -0.14 -4.23 0.15 0.00 0.01 0.00 0.00 42.46 38.25 1fjd s ILE 125 CO 0.19 -0.58 0.49 -0.32 0.00 0.00 0.00 174.94 174.71 1fjd s MET 126 N 3.04 2.83 0.02 2.79 -2.45 0.34 -4.19 119.30 121.68 1fjd s MET 126 Ca 0.27 -2.10 -0.20 0.00 -1.25 0.00 0.00 55.69 52.41 1fjd s MET 126 Cb -0.13 -4.05 -0.06 0.00 1.25 0.00 0.00 34.83 31.84 1fjd s MET 126 CO 0.20 -1.23 0.57 0.08 1.05 0.00 0.00 175.02 175.69 1fjd s VAL 127 N 0.78 4.85 -0.36 10.11 1.01 -1.26 -0.30 120.40 135.23 1fjd s VAL 127 Ca 0.11 1.21 0.04 0.00 0.00 0.00 0.00 61.98 63.34 1fjd s VAL 127 Cb -0.21 -3.91 0.16 0.00 0.00 0.00 0.00 36.38 32.42 1fjd s VAL 127 CO -0.03 0.48 0.43 -0.70 0.00 0.00 0.00 175.10 175.28 1fjd s GLU 128 N -0.58 0.62 0.00 2.72 2.12 0.71 0.16 118.70 124.45 1fjd s GLU 128 Ca 0.30 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1fjd s GLU 128 Cb -0.19 -0.49 0.00 0.00 0.26 0.00 0.00 34.13 33.72 1fjd s GLU 128 CO 0.18 -1.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.15 1fjd n GLY 129 N 4.53 2.62 1.55 -1.50 0.00 -1.26 -3.14 105.19 107.98 1fjd n GLY 129 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1fjd n GLY 129 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fjd n ARG 130 N 0.00 -3.75 -0.32 1.61 1.74 -1.20 -4.84 116.66 109.90 1fjd n ARG 130 Ca 0.00 2.88 0.00 0.00 -0.77 0.00 0.00 57.85 59.96 1fjd n ARG 130 Cb 0.00 -3.61 0.00 0.00 -1.02 0.00 0.00 32.46 27.83 1fjd n ARG 130 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74