#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 0.00 -2.72 1.61 2.88 -1.26 -4.90 113.62 109.23 1fjd n SER 29 Ca 0.00 0.54 -0.05 0.00 -1.33 0.00 0.00 58.87 58.03 1fjd n SER 29 Cb 0.00 -0.43 0.04 0.00 -0.75 0.00 0.00 64.21 63.07 1fjd n SER 29 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fjd n GLY 30 N 1.37 -0.81 0.33 0.46 0.00 -1.26 -5.05 105.19 100.23 1fjd n GLY 30 Ca 0.00 0.62 -0.13 0.00 0.00 0.00 0.00 46.02 46.51 1fjd n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fjd h PRO 31 N 4.22 -0.79 0.00 1.61 0.14 -1.97 -3.46 132.00 131.75 1fjd h PRO 31 Ca -0.07 0.05 0.00 0.00 0.14 0.00 0.00 66.00 66.13 1fjd h PRO 31 Cb 1.11 0.18 0.00 0.00 0.14 0.00 0.00 31.00 32.43 1fjd h PRO 31 CO 0.05 -0.53 0.00 1.63 0.14 0.00 0.00 178.00 179.30 1fjd n LYS 32 N -4.38 0.00 -0.14 0.86 5.02 -1.26 -4.89 118.16 113.37 1fjd n LYS 32 Ca -0.10 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.21 1fjd n LYS 32 Cb 0.32 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.33 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 0.00 -0.97 0.33 0.72 0.00 -1.26 -4.37 105.19 99.64 1fjd n GLY 33 Ca 0.00 -0.96 0.06 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.42 -0.20 3.81 -0.02 0.00 -1.26 -5.00 105.19 102.10 1fjd n GLY 34 Ca 0.00 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.25 1.97 0.00 -0.02 0.00 -1.26 -4.66 107.32 102.09 1fjd s GLY 35 Ca 0.11 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 43.02 1fjd s GLY 35 CO 0.22 -1.69 0.00 -2.01 0.00 0.00 0.00 173.10 169.62 1fjd n ASN 36 N -1.33 0.00 -3.90 1.64 5.15 -1.26 -4.86 115.26 110.70 1fjd n ASN 36 Ca -0.01 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.87 1fjd n ASN 36 Cb 0.61 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.76 1fjd n ASN 36 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fjd s ALA 37 N 0.00 -0.20 -0.01 5.20 0.00 -1.26 -3.52 121.76 121.97 1fjd s ALA 37 Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 1fjd s ALA 37 Cb 0.00 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.28 1fjd s ALA 37 CO 0.00 -0.20 0.33 0.54 0.00 0.00 0.00 175.76 176.42 1fjd s VAL 38 N -1.49 0.06 -0.83 0.00 0.11 -1.08 -2.08 120.40 115.09 1fjd s VAL 38 Ca -0.14 -0.47 -0.20 0.00 -2.93 0.00 0.00 61.98 58.24 1fjd s VAL 38 Cb -0.08 -0.67 0.11 0.00 -1.53 0.00 0.00 36.38 34.22 1fjd s VAL 38 CO 0.01 -0.26 1.04 -0.75 -3.33 0.00 0.00 175.10 171.81 1fjd s LYS 39 N -1.45 3.42 0.10 1.54 2.36 0.12 -2.39 119.74 123.43 1fjd s LYS 39 Ca -0.13 -1.49 -0.02 0.00 -2.55 0.00 0.00 55.97 51.78 1fjd s LYS 39 Cb -0.05 -4.67 -0.05 0.00 -1.05 0.00 0.00 37.83 32.02 1fjd s LYS 39 CO 0.04 -1.76 0.28 0.14 1.55 0.00 0.00 175.35 175.60 1fjd s VAL 40 N 3.00 5.30 0.08 4.02 -7.23 -1.25 -0.41 120.40 123.90 1fjd s VAL 40 Ca 0.28 -0.22 0.05 0.00 -1.81 0.00 0.00 61.98 60.28 1fjd s VAL 40 Cb -0.10 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 1fjd s VAL 40 CO -0.03 0.09 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.57 1fjd s ARG 41 N -2.59 0.85 -0.08 4.82 3.00 -0.90 -3.25 118.95 120.81 1fjd s ARG 41 Ca 0.37 -0.99 0.02 0.00 0.00 0.00 0.00 55.73 55.14 1fjd s ARG 41 Cb -0.13 -0.88 0.01 0.00 0.00 0.00 0.00 34.95 33.96 1fjd s ARG 41 CO 0.27 0.19 -0.14 -3.38 0.00 0.00 0.00 175.30 172.24 1fjd s HIS 42 N -1.32 1.67 -0.21 -0.53 -3.43 -1.25 -2.25 115.29 107.98 1fjd s HIS 42 Ca -0.01 -0.67 0.00 0.00 -0.80 0.00 0.00 55.06 53.59 1fjd s HIS 42 Cb -0.10 -1.21 0.05 0.00 -1.43 0.00 0.00 32.58 29.89 1fjd s HIS 42 CO 0.02 -0.34 -0.07 -1.50 -2.00 0.00 0.00 174.74 170.85 1fjd s ILE 43 N 0.75 1.46 0.17 -5.38 2.07 -1.10 -2.17 121.20 116.99 1fjd s ILE 43 Ca -0.13 -1.00 -0.07 0.00 -1.41 0.00 0.00 60.65 58.04 1fjd s ILE 43 Cb -0.16 -1.64 -0.06 0.00 0.13 0.00 0.00 42.46 40.73 1fjd s ILE 43 CO 0.03 0.05 0.44 -0.76 -1.91 0.00 0.00 174.94 172.79 1fjd s LEU 44 N 1.46 4.24 0.15 8.50 1.43 0.75 0.68 118.68 135.89 1fjd s LEU 44 Ca -0.03 0.74 0.21 0.00 -1.03 0.00 0.00 54.13 54.03 1fjd s LEU 44 Cb -0.17 -3.40 -0.06 0.00 0.03 0.00 0.00 46.19 42.59 1fjd s LEU 44 CO -0.07 0.02 0.94 0.00 0.23 0.00 0.00 176.35 177.47 1fjd n GLU 46 N -2.69 0.00 -0.07 0.00 2.13 -1.26 -3.03 120.64 115.71 1fjd n GLU 46 Ca -0.03 0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.82 1fjd n GLU 46 Cb 0.61 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.39 1fjd n GLU 46 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1fjd n LYS 47 N 0.00 2.65 -2.17 5.31 2.85 -1.26 -4.96 118.16 120.58 1fjd n LYS 47 Ca 0.00 -1.67 -0.18 0.00 -1.05 0.00 0.00 58.31 55.41 1fjd n LYS 47 Cb 0.00 -1.12 -0.03 0.00 -0.65 0.00 0.00 35.03 33.23 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 -0.00 -0.84 -0.06 5.58 8.25 -1.17 -4.81 115.22 122.17 1fjd n HIS 48 Ca 0.05 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.47 1fjd n HIS 48 Cb 0.31 -3.50 -0.11 0.00 1.12 0.00 0.00 29.99 27.81 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 -0.78 -0.67 0.38 -1.41 0.00 -1.26 -4.55 105.19 96.90 1fjd n GLY 49 Ca -0.21 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.41 1.68 -0.32 1.61 0.00 -1.26 -4.41 118.16 113.05 1fjd n LYS 50 Ca -0.19 -0.85 0.30 0.00 -0.00 0.00 0.00 58.31 57.58 1fjd n LYS 50 Cb 0.84 -1.26 0.65 0.00 -0.00 0.00 0.00 35.03 35.27 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 1.85 0.45 0.04 0.58 6.09 -1.86 2.43 117.51 127.08 1fjd h ILE 51 Ca 0.00 -0.05 -0.06 0.00 -1.37 0.00 0.00 64.86 63.38 1fjd h ILE 51 Cb 0.54 0.28 0.00 0.00 0.47 0.00 0.00 36.82 38.11 1fjd h ILE 51 CO 0.00 0.03 -0.28 -0.03 -3.07 0.00 0.00 178.15 174.79 1fjd h MET 52 N 0.15 0.08 -0.62 2.19 4.05 -1.90 -0.08 114.93 118.80 1fjd h MET 52 Ca 0.58 -0.14 0.18 0.00 -0.28 0.00 0.00 59.70 60.04 1fjd h MET 52 Cb 1.95 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.78 1fjd h MET 52 CO -0.13 1.07 0.45 1.49 0.23 0.00 0.00 176.91 180.02 1fjd h GLU 53 N -0.83 0.00 -0.05 0.39 4.81 -0.67 2.64 114.58 120.88 1fjd h GLU 53 Ca -0.06 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 1fjd h GLU 53 Cb 1.19 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1fjd h GLU 53 CO 0.03 0.00 -0.79 0.00 -0.73 0.00 0.00 179.01 177.52 1fjd h ALA 54 N 1.67 0.53 0.11 2.92 0.00 0.41 -2.09 119.26 122.81 1fjd h ALA 54 Ca 0.29 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1fjd h ALA 54 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1fjd h ALA 54 CO -0.00 0.79 -0.05 0.52 0.00 0.00 0.00 179.25 180.50 1fjd h MET 55 N 0.25 -0.14 0.04 0.00 2.86 0.55 -3.06 114.93 115.44 1fjd h MET 55 Ca -0.04 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1fjd h MET 55 Cb 1.39 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.06 1fjd h MET 55 CO 0.14 0.03 -0.16 0.93 1.06 0.00 0.00 176.91 178.91 1fjd h GLU 56 N -1.02 -0.22 -0.04 1.72 5.08 0.33 -0.35 114.58 120.08 1fjd h GLU 56 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fjd h GLU 56 Cb 0.23 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1fjd h GLU 56 CO 0.02 -0.15 -0.02 1.63 -1.00 0.00 0.00 179.01 179.49 1fjd n LYS 57 N -3.33 -0.02 -0.57 2.33 5.02 -0.78 0.20 118.16 121.01 1fjd n LYS 57 Ca -0.03 1.01 0.45 0.00 -2.02 0.00 0.00 58.31 57.73 1fjd n LYS 57 Cb 0.12 -1.51 0.76 0.00 -0.02 0.00 0.00 35.03 34.38 1fjd n LYS 57 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1fjd h LEU 58 N 0.00 0.08 0.00 -0.35 4.07 -1.42 1.69 115.31 119.38 1fjd h LEU 58 Ca 0.01 0.04 -0.21 0.00 0.08 0.00 0.00 57.88 57.80 1fjd h LEU 58 Cb 0.02 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 1fjd h LEU 58 CO -0.04 -0.06 -1.03 0.07 -1.08 0.00 0.00 178.44 176.31 1fjd h LYS 59 N 0.03 0.00 0.06 1.13 5.09 0.40 -3.33 116.57 119.95 1fjd h LYS 59 Ca 0.85 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 61.48 1fjd h LYS 59 Cb 3.17 0.00 0.01 0.00 0.10 0.00 0.00 32.23 35.51 1fjd h LYS 59 CO -0.14 0.93 -0.48 0.77 -2.09 0.00 0.00 179.45 178.45 1fjd h SER 60 N 0.00 0.31 0.00 7.07 0.02 0.67 -3.49 113.55 118.13 1fjd h SER 60 Ca -0.03 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.01 1fjd h SER 60 Cb 1.77 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.21 1fjd h SER 60 CO 0.12 1.19 0.00 0.61 -1.14 0.00 0.00 176.83 177.61 1fjd n GLY 61 N 1.46 0.91 0.00 -3.77 0.00 0.45 -5.08 105.19 99.16 1fjd n GLY 61 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 1.71 -2.27 1.61 0.00 -1.23 -5.00 117.12 111.94 1fjd n MET 62 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.36 1fjd n MET 62 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 0.29 3.42 -0.03 3.17 3.00 -1.26 -4.94 118.95 122.60 1fjd s ARG 63 Ca 0.00 1.48 0.14 0.00 0.00 0.00 0.00 55.73 57.35 1fjd s ARG 63 Cb 0.00 -2.03 -0.21 0.00 0.00 0.00 0.00 34.95 32.71 1fjd s ARG 63 CO 0.00 -0.77 0.68 1.19 0.00 0.00 0.00 175.30 176.40 1fjd n PHE 64 N -1.39 0.97 -0.00 -0.53 3.72 -1.26 -4.18 117.46 114.79 1fjd n PHE 64 Ca 0.11 0.35 -0.18 0.00 -0.05 0.00 0.00 57.45 57.67 1fjd n PHE 64 Cb 0.52 -1.16 -0.14 0.00 -0.94 0.00 0.00 39.48 37.76 1fjd n PHE 64 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1fjd n ASN 65 N -3.00 1.83 0.21 4.37 3.02 -1.26 -2.82 115.26 117.60 1fjd n ASN 65 Ca -0.16 0.26 -0.13 0.00 -0.03 0.00 0.00 54.58 54.52 1fjd n ASN 65 Cb 1.01 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 39.44 1fjd n ASN 65 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1fjd h GLU 66 N 0.06 -0.69 -0.01 3.52 4.39 -1.98 2.20 114.58 122.06 1fjd h GLU 66 Ca -0.39 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1fjd h GLU 66 Cb 2.03 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 30.84 1fjd h GLU 66 CO 0.09 -0.46 -0.03 -0.39 -1.16 0.00 0.00 179.01 177.06 1fjd h VAL 67 N -0.72 0.00 -0.93 3.13 -1.51 -1.76 0.59 116.25 115.06 1fjd h VAL 67 Ca -0.04 0.00 0.28 0.00 -1.23 0.00 0.00 66.70 65.71 1fjd h VAL 67 Cb 0.63 0.00 -0.17 0.00 -2.13 0.00 0.00 31.29 29.62 1fjd h VAL 67 CO -0.05 0.00 0.12 0.00 -1.23 0.00 0.00 177.57 176.41 1fjd n ALA 68 N -2.63 0.57 -0.23 5.19 0.00 -1.08 0.25 120.51 122.58 1fjd n ALA 68 Ca -0.00 0.98 -0.11 0.00 0.00 0.00 0.00 53.44 54.31 1fjd n ALA 68 Cb 0.02 -0.77 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 1fjd n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjd h ALA 69 N 1.86 -0.60 0.00 0.00 0.00 0.60 0.22 119.26 121.34 1fjd h ALA 69 Ca 0.61 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.46 1fjd h ALA 69 Cb 1.35 1.19 -0.02 0.00 0.00 0.00 0.00 17.79 20.32 1fjd h ALA 69 CO -0.84 -0.89 -0.91 0.94 0.00 0.00 0.00 179.25 177.55 1fjd n GLN 70 N -4.96 0.50 -0.45 0.00 -0.06 0.93 -3.88 117.38 109.46 1fjd n GLN 70 Ca -0.01 0.52 0.41 0.00 -2.00 0.00 0.00 57.00 55.93 1fjd n GLN 70 Cb 0.26 -1.69 0.74 0.00 -4.06 0.00 0.00 30.24 25.49 1fjd n GLN 70 CO 0.00 0.00 0.00 1.88 -0.20 0.00 0.00 177.06 178.74 1fjd h TYR 71 N -1.00 0.00 -4.14 3.69 -1.99 0.34 -3.37 116.97 110.50 1fjd h TYR 71 Ca -0.16 0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.12 1fjd h TYR 71 Cb 0.88 0.00 0.14 0.00 2.00 0.00 0.00 36.73 39.75 1fjd h TYR 71 CO -0.11 0.00 0.33 0.45 -0.00 0.00 0.00 178.16 178.83 1fjd s SER 72 N -4.37 3.19 -0.66 3.88 0.15 0.77 0.27 113.70 116.93 1fjd s SER 72 Ca -0.05 0.70 -0.17 0.00 0.70 0.00 0.00 55.95 57.13 1fjd s SER 72 Cb 0.23 -1.08 -0.15 0.00 -1.71 0.00 0.00 66.02 63.31 1fjd s SER 72 CO 0.78 -2.72 1.86 1.21 1.20 0.00 0.00 173.24 175.57 1fjd n GLU 73 N -3.84 1.35 -1.57 5.44 4.07 -1.26 -3.77 120.64 121.07 1fjd n GLU 73 Ca 0.10 -1.54 -0.19 0.00 -0.06 0.00 0.00 57.16 55.46 1fjd n GLU 73 Cb 0.60 -2.68 -0.08 0.00 -0.06 0.00 0.00 31.44 29.21 1fjd n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1fjd n ASP 74 N 6.65 -5.50 0.00 4.31 2.03 -1.26 -4.79 116.55 118.00 1fjd n ASP 74 Ca 0.44 0.48 0.00 0.00 0.52 0.00 0.00 54.79 56.23 1fjd n ASP 74 Cb 0.31 -4.71 0.00 0.00 -0.72 0.00 0.00 41.12 35.99 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 -2.23 0.00 0.00 -0.67 3.00 -1.25 -5.01 118.16 112.00 1fjd n LYS 75 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 1fjd n LYS 75 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.70 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 -3.00 0.00 0.08 3.14 0.00 -1.18 -3.76 120.51 115.79 1fjd n ALA 76 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1fjd n ALA 76 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1fjd n ALA 76 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1fjd h ARG 77 N 0.00 0.25 0.00 0.00 0.11 -1.59 0.37 114.38 113.52 1fjd h ARG 77 Ca 0.00 -0.19 -0.24 0.00 0.10 0.00 0.00 59.98 59.64 1fjd h ARG 77 Cb 0.00 0.04 -0.04 0.00 1.11 0.00 0.00 29.97 31.08 1fjd h ARG 77 CO 0.00 0.82 -1.79 1.04 0.10 0.00 0.00 179.97 180.14 1fjd n GLN 78 N -3.83 0.54 0.24 0.08 1.13 -1.26 -2.33 117.38 111.95 1fjd n GLN 78 Ca -0.03 0.23 0.11 0.00 -1.94 0.00 0.00 57.00 55.37 1fjd n GLN 78 Cb 0.66 -1.42 0.57 0.00 0.11 0.00 0.00 30.24 30.16 1fjd n GLN 78 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1fjd h GLY 79 N -0.96 0.00 -1.96 1.08 0.00 -1.80 -1.55 103.07 97.89 1fjd h GLY 79 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1fjd h GLY 79 CO -0.22 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.93 1fjd n GLY 80 N -0.16 1.70 3.15 4.60 0.00 0.13 -4.86 105.19 109.75 1fjd n GLY 80 Ca -0.01 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 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 1.21 0.18 -0.45 1.61 -0.08 -0.58 -4.62 116.55 113.82 1fjd n ASP 81 Ca 0.17 0.13 0.40 0.00 -1.51 0.00 0.00 54.79 53.97 1fjd n ASP 81 Cb 0.53 -0.81 0.61 0.00 2.34 0.00 0.00 41.12 43.79 1fjd n ASP 81 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1fjd n LEU 82 N 9.22 0.00 0.00 -2.67 4.32 -1.20 -4.85 117.00 121.81 1fjd n LEU 82 Ca 0.59 0.87 0.00 0.00 -0.02 0.00 0.00 56.01 57.45 1fjd n LEU 82 Cb 0.03 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.46 1fjd n LEU 82 CO 0.85 -0.87 0.00 0.61 -1.22 0.00 0.00 177.39 176.77 1fjd n GLY 83 N -1.81 -3.21 3.41 -0.72 0.00 -1.22 -4.91 105.19 96.73 1fjd n GLY 83 Ca 0.33 -1.80 -0.47 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.55 -0.37 -3.75 1.61 7.02 -1.26 -4.03 117.44 116.11 1fjd n TRP 84 Ca 0.00 0.93 -0.13 0.00 -1.02 0.00 0.00 57.50 57.29 1fjd n TRP 84 Cb 0.00 -1.98 -0.13 0.00 -2.42 0.00 0.00 31.31 26.77 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 -1.05 0.17 0.13 -0.99 -1.94 -1.01 -4.91 119.30 109.69 1fjd s MET 85 Ca 0.63 0.42 0.10 0.00 -1.71 0.00 0.00 55.69 55.13 1fjd s MET 85 Cb -0.90 -0.10 -0.04 0.00 2.01 0.00 0.00 34.83 35.80 1fjd s MET 85 CO 0.57 -0.14 -0.24 0.95 -0.01 0.00 0.00 175.02 176.15 1fjd s THR 86 N 0.99 2.46 0.39 2.05 -4.23 -1.25 -2.65 115.64 113.41 1fjd s THR 86 Ca -0.07 -1.68 0.13 0.00 -1.18 0.00 0.00 61.69 58.89 1fjd s THR 86 Cb -0.09 -2.11 0.35 0.00 1.34 0.00 0.00 72.50 71.99 1fjd s THR 86 CO -0.06 0.09 1.87 -0.09 -0.54 0.00 0.00 174.62 175.89 1fjd h ARG 87 N 3.81 0.51 -1.07 3.99 1.12 -1.98 0.10 114.38 120.86 1fjd h ARG 87 Ca -0.50 -0.03 0.31 0.00 -1.11 0.00 0.00 59.98 58.64 1fjd h ARG 87 Cb 1.17 -0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 30.97 1fjd h ARG 87 CO 0.42 0.34 0.87 0.78 -3.11 0.00 0.00 179.97 179.27 1fjd h GLY 88 N 0.53 0.00 -6.28 2.80 0.00 -1.95 -3.31 103.07 94.86 1fjd h GLY 88 Ca 0.44 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.58 1fjd h GLY 88 CO -0.18 0.00 -0.54 -0.56 0.00 0.00 0.00 176.54 175.25 1fjd s SER 89 N -4.83 0.26 0.00 0.19 0.01 0.35 -5.05 113.70 104.63 1fjd s SER 89 Ca -0.04 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.69 1fjd s SER 89 Cb 0.20 1.14 0.00 0.00 0.21 0.00 0.00 66.02 67.57 1fjd s SER 89 CO 0.71 -0.33 0.00 0.23 0.41 0.00 0.00 173.24 174.26 1fjd n MET 90 N 5.16 0.00 0.00 12.44 2.00 -1.24 -4.20 117.12 131.29 1fjd n MET 90 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.73 1fjd n MET 90 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.72 1fjd n MET 90 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 175.97 177.52 1fjd n VAL 91 N -0.82 0.00 0.00 2.03 3.14 -1.26 -5.01 118.33 116.41 1fjd n VAL 91 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1fjd n VAL 91 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1fjd n VAL 91 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1fjd n GLY 92 N 0.00 -2.07 0.24 7.55 0.00 -1.26 -4.97 105.19 104.68 1fjd n GLY 92 Ca 0.00 0.73 -0.16 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.53 -0.83 1.61 0.10 -1.95 0.05 132.00 130.44 1fjd h PRO 93 Ca 0.00 0.04 0.20 0.00 0.10 0.00 0.00 66.00 66.33 1fjd h PRO 93 Cb 0.00 0.12 -0.15 0.00 0.10 0.00 0.00 31.00 31.07 1fjd h PRO 93 CO 0.00 -0.34 0.00 0.35 0.10 0.00 0.00 178.00 178.11 1fjd h PHE 94 N -0.57 -0.07 0.39 0.65 3.57 -1.94 0.67 116.94 119.64 1fjd h PHE 94 Ca -0.06 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1fjd h PHE 94 Cb 0.44 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1fjd h PHE 94 CO -0.04 -0.30 -0.19 0.37 -2.23 0.00 0.00 178.31 175.93 1fjd h GLN 95 N 0.08 -0.50 -1.17 1.11 -0.00 -1.87 -2.61 115.11 110.14 1fjd h GLN 95 Ca 0.47 0.03 0.34 0.00 -0.00 0.00 0.00 58.65 59.49 1fjd h GLN 95 Cb 0.86 0.11 -0.05 0.00 0.00 0.00 0.00 27.48 28.40 1fjd h GLN 95 CO -0.75 -0.34 0.86 0.93 0.00 0.00 0.00 178.83 179.53 1fjd h GLU 96 N -0.85 0.00 0.00 1.69 4.39 -0.41 0.42 114.58 119.82 1fjd h GLU 96 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1fjd h GLU 96 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1fjd h GLU 96 CO 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.94 1fjd n ALA 97 N -2.75 -0.12 0.09 3.43 0.00 0.23 -3.55 120.51 117.84 1fjd n ALA 97 Ca 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.60 1fjd n ALA 97 Cb 1.24 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.63 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 -0.31 -0.89 0.00 0.00 -1.22 -2.96 119.26 111.88 1fjd h ALA 98 Ca 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.86 1fjd h ALA 98 Cb 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 17.77 1fjd h ALA 98 CO 0.00 -0.35 -0.37 0.34 0.00 0.00 0.00 179.25 178.87 1fjd n PHE 99 N -4.98 -0.02 1.64 0.00 7.35 0.15 0.26 117.46 121.86 1fjd n PHE 99 Ca -0.07 1.10 0.03 0.00 -0.76 0.00 0.00 57.45 57.76 1fjd n PHE 99 Cb 0.23 -0.80 0.13 0.00 0.35 0.00 0.00 39.48 39.39 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 -3.51 2.50 -2.45 3.13 0.00 -1.18 -4.83 120.51 114.18 1fjd n ALA 100 Ca 0.08 -0.21 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 1fjd n ALA 100 Cb 0.34 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.10 2.28 0.65 0.00 1.43 0.74 -5.02 118.68 117.66 1fjd s LEU 101 Ca 0.12 -0.69 -0.17 0.00 -1.03 0.00 0.00 54.13 52.35 1fjd s LEU 101 Cb 0.06 -1.08 -0.00 0.00 0.03 0.00 0.00 46.19 45.20 1fjd s LEU 101 CO 0.08 0.14 1.23 -2.84 0.23 0.00 0.00 176.35 175.19 1fjd s PRO 102 N -1.85 2.58 0.89 1.29 0.02 -1.26 -4.83 135.00 131.84 1fjd s PRO 102 Ca 0.10 1.86 -0.13 0.00 0.02 0.00 0.00 61.00 62.85 1fjd s PRO 102 Cb -0.10 -1.87 0.02 0.00 0.02 0.00 0.00 34.50 32.57 1fjd s PRO 102 CO 0.05 -1.52 0.48 0.28 -0.33 0.00 0.00 177.00 175.95 1fjd n VAL 103 N -2.07 0.51 0.00 3.83 0.31 -1.26 -4.64 118.33 115.02 1fjd n VAL 103 Ca 0.14 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1fjd n VAL 103 Cb 0.49 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 1fjd n VAL 103 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1fjd n SER 104 N -1.20 0.00 -0.26 4.52 7.64 0.26 -4.70 113.62 119.88 1fjd n SER 104 Ca 0.08 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.98 1fjd n SER 104 Cb 0.53 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 -1.98 7.00 0.23 0.00 -1.25 -4.45 105.19 104.73 1fjd n GLY 105 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.94 0.00 0.00 1.61 0.00 -1.26 -2.76 117.12 113.77 1fjd n MET 106 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.72 1fjd n MET 106 Cb 0.06 0.00 0.13 0.00 0.00 0.00 0.00 33.22 33.41 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 -1.45 0.00 -2.87 6.12 2.03 -1.26 -3.44 116.55 115.67 1fjd n ASP 107 Ca 0.00 -1.46 -0.12 0.00 0.52 0.00 0.00 54.79 53.73 1fjd n ASP 107 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 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 -0.59 1.07 -0.39 -0.67 4.81 -1.22 -5.01 118.16 116.17 1fjd n LYS 108 Ca 0.03 -3.21 -0.17 0.00 -0.87 0.00 0.00 58.31 54.10 1fjd n LYS 108 Cb 0.02 -1.37 0.15 0.00 0.02 0.00 0.00 35.03 33.84 1fjd n LYS 108 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1fjd n PRO 109 N 0.06 -2.76 0.00 1.64 -0.02 -1.11 -4.44 135.00 128.38 1fjd n PRO 109 Ca 0.15 -0.89 0.00 0.00 -2.02 0.00 0.00 63.50 60.73 1fjd n PRO 109 Cb 0.76 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.28 1fjd n PRO 109 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1fjd n VAL 110 N -4.11 0.00 -0.33 -1.45 3.14 -1.26 -4.76 118.33 109.56 1fjd n VAL 110 Ca 0.08 0.00 0.30 0.00 -2.96 0.00 0.00 64.34 61.76 1fjd n VAL 110 Cb 0.33 -1.24 0.56 0.00 -1.06 0.00 0.00 33.84 32.43 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 -0.62 0.85 -3.77 1.45 0.04 -1.96 -3.38 116.94 109.54 1fjd h PHE 111 Ca 0.00 0.04 -0.51 0.00 2.80 0.00 0.00 57.97 60.30 1fjd h PHE 111 Cb 0.00 -0.20 0.03 0.00 2.20 0.00 0.00 35.95 37.98 1fjd h PHE 111 CO 0.00 -0.39 0.53 0.95 -0.60 0.00 0.00 178.31 178.79 1fjd s THR 112 N -5.55 3.32 0.68 -1.55 -4.23 -1.26 -5.01 115.64 102.02 1fjd s THR 112 Ca -0.09 1.29 -0.11 0.00 -1.18 0.00 0.00 61.69 61.60 1fjd s THR 112 Cb 0.33 -3.82 -0.00 0.00 1.34 0.00 0.00 72.50 70.34 1fjd s THR 112 CO 0.78 0.29 1.05 -1.81 -0.54 0.00 0.00 174.62 174.40 1fjd s ASP 113 N -0.63 5.62 0.08 3.99 1.11 -1.26 -4.63 116.67 120.95 1fjd s ASP 113 Ca 0.47 1.52 -0.30 0.00 0.18 0.00 0.00 52.55 54.41 1fjd s ASP 113 Cb -0.34 -2.44 -0.17 0.00 1.07 0.00 0.00 42.92 41.04 1fjd s ASP 113 CO 0.43 -1.28 1.65 -0.65 1.18 0.00 0.00 175.17 176.51 1fjd h PRO 114 N -0.60 -0.64 -4.65 8.23 0.11 -1.88 -3.32 132.00 129.25 1fjd h PRO 114 Ca -0.44 0.04 -0.59 0.00 0.11 0.00 0.00 66.00 65.13 1fjd h PRO 114 Cb 1.21 0.15 0.09 0.00 0.11 0.00 0.00 31.00 32.55 1fjd h PRO 114 CO 0.59 -0.43 1.84 -2.30 -0.21 0.00 0.00 178.00 177.49 1fjd n PRO 115 N -5.38 0.78 -3.34 1.05 -0.02 -1.26 -2.74 135.00 124.08 1fjd n PRO 115 Ca -0.12 -1.39 -0.32 0.00 -2.02 0.00 0.00 63.50 59.66 1fjd n PRO 115 Cb 0.28 -2.67 -0.05 0.00 -0.02 0.00 0.00 33.50 31.04 1fjd n PRO 115 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1fjd s VAL 116 N 5.84 4.89 0.07 -1.45 -7.23 -0.52 -4.63 120.40 117.37 1fjd s VAL 116 Ca 0.59 0.54 0.07 0.00 -1.81 0.00 0.00 61.98 61.37 1fjd s VAL 116 Cb 0.14 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.42 1fjd s VAL 116 CO 0.21 -0.12 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.01 1fjd s LYS 117 N -2.92 2.16 0.22 4.82 2.36 -1.25 -0.01 119.74 125.12 1fjd s LYS 117 Ca 0.48 -0.97 0.00 0.00 -2.55 0.00 0.00 55.97 52.93 1fjd s LYS 117 Cb -0.11 -2.29 0.00 0.00 -1.05 0.00 0.00 37.83 34.38 1fjd s LYS 117 CO 0.21 0.53 0.00 0.25 1.55 0.00 0.00 175.35 177.89 1fjd n THR 118 N 1.09 0.00 -2.28 3.43 -2.24 -1.25 -4.94 114.28 108.08 1fjd n THR 118 Ca -0.15 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 1fjd n THR 118 Cb 0.52 -0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 68.53 1fjd n THR 118 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1fjd n LYS 119 N -3.12 0.34 0.19 -0.78 3.00 -1.26 -4.98 118.16 111.55 1fjd n LYS 119 Ca 0.00 -1.43 0.00 0.00 -0.00 0.00 0.00 58.31 56.88 1fjd n LYS 119 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 35.03 35.26 1fjd n LYS 119 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1fjd n PHE 120 N -0.18 -4.28 -2.42 5.64 3.72 -1.26 -5.17 117.46 113.50 1fjd n PHE 120 Ca -0.16 1.29 0.00 0.00 -0.05 0.00 0.00 57.45 58.53 1fjd n PHE 120 Cb 0.84 3.32 0.00 0.00 -0.94 0.00 0.00 39.48 42.69 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 -1.47 1.24 3.42 1.37 0.00 -1.26 -5.01 105.19 103.48 1fjd n GLY 121 Ca 0.00 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.72 3.06 0.06 1.61 1.51 -1.25 -3.85 117.35 116.77 1fjd s TYR 122 Ca 0.00 -1.17 -0.03 0.00 -1.01 0.00 0.00 57.07 54.86 1fjd s TYR 122 Cb 0.00 -4.17 -0.05 0.00 -0.11 0.00 0.00 41.96 37.64 1fjd s TYR 122 CO 0.00 -1.42 0.26 -3.38 -1.11 0.00 0.00 175.55 169.90 1fjd s HIS 123 N 2.70 3.53 -0.34 2.71 -3.43 0.99 -2.66 115.29 118.79 1fjd s HIS 123 Ca 0.23 0.41 -0.21 0.00 -0.80 0.00 0.00 55.06 54.69 1fjd s HIS 123 Cb -0.13 -1.88 0.00 0.00 -1.43 0.00 0.00 32.58 29.14 1fjd s HIS 123 CO -0.01 0.57 0.67 0.42 -2.00 0.00 0.00 174.74 174.39 1fjd s ILE 124 N -1.47 4.87 -0.28 -5.38 1.01 0.21 -1.43 121.20 118.72 1fjd s ILE 124 Ca 0.34 0.77 -0.21 0.00 0.00 0.00 0.00 60.65 61.55 1fjd s ILE 124 Cb -0.13 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 1fjd s ILE 124 CO 0.23 -0.28 0.64 -0.63 0.00 0.00 0.00 174.94 174.90 1fjd s ILE 125 N 2.77 4.94 -0.40 2.92 1.01 -1.25 -2.72 121.20 128.48 1fjd s ILE 125 Ca 0.27 1.00 -0.02 0.00 0.00 0.00 0.00 60.65 61.89 1fjd s ILE 125 Cb -0.14 -3.98 0.11 0.00 0.01 0.00 0.00 42.46 38.45 1fjd s ILE 125 CO 0.14 -0.08 0.18 -0.32 0.00 0.00 0.00 174.94 174.86 1fjd s MET 126 N 2.59 1.92 -0.25 2.79 -2.45 -0.96 -3.97 119.30 118.98 1fjd s MET 126 Ca 0.26 -1.84 -0.21 0.00 -1.25 0.00 0.00 55.69 52.65 1fjd s MET 126 Cb -0.15 -3.52 -0.02 0.00 1.25 0.00 0.00 34.83 32.39 1fjd s MET 126 CO 0.10 -1.05 0.64 0.54 1.05 0.00 0.00 175.02 176.30 1fjd s VAL 127 N 1.08 4.98 -0.29 10.11 0.11 -1.26 -2.12 120.40 133.01 1fjd s VAL 127 Ca 0.09 1.17 0.01 0.00 -2.93 0.00 0.00 61.98 60.31 1fjd s VAL 127 Cb -0.22 -3.95 0.15 0.00 -1.53 0.00 0.00 36.38 30.83 1fjd s VAL 127 CO -0.05 0.03 0.37 -0.70 -3.33 0.00 0.00 175.10 171.42 1fjd s GLU 128 N 2.47 0.38 0.00 1.54 -6.30 0.45 0.89 118.70 118.13 1fjd s GLU 128 Ca 0.27 0.07 0.00 0.00 -2.50 0.00 0.00 54.97 52.81 1fjd s GLU 128 Cb -0.15 -0.45 0.00 0.00 0.00 0.00 0.00 34.13 33.53 1fjd s GLU 128 CO 0.09 -1.00 0.00 0.41 0.02 0.00 0.00 175.26 174.77 1fjd n GLY 129 N 5.34 0.94 3.55 -1.50 0.00 -1.26 -3.06 105.19 109.20 1fjd n GLY 129 Ca -0.01 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 1fjd n GLY 129 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fjd s ARG 130 N -0.14 1.86 0.00 1.61 3.52 -1.26 0.10 118.95 124.65 1fjd s ARG 130 Ca 0.00 -2.09 0.27 0.00 -0.13 0.00 0.00 55.73 53.79 1fjd s ARG 130 Cb 0.00 -1.11 0.89 0.00 -1.56 0.00 0.00 34.95 33.17 1fjd s ARG 130 CO 0.00 -0.23 1.65 1.63 -0.81 0.00 0.00 175.30 177.54