#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 -7.01 0.00 1.61 7.64 -1.26 -4.80 113.62 109.80 1fjd n SER 29 Ca 0.00 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1fjd n SER 29 Cb 0.00 -3.26 0.00 0.00 -1.01 0.00 0.00 64.21 59.94 1fjd n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fjd n GLY 30 N 0.62 3.61 0.49 0.23 0.00 -1.26 -4.66 105.19 104.22 1fjd n GLY 30 Ca 0.00 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 -1.19 0.00 1.61 0.14 -2.00 -3.36 132.00 127.20 1fjd h PRO 31 Ca 0.00 0.08 0.00 0.00 0.14 0.00 0.00 66.00 66.22 1fjd h PRO 31 Cb 0.00 0.27 0.00 0.00 0.14 0.00 0.00 31.00 31.41 1fjd h PRO 31 CO 0.00 -0.80 -0.16 1.63 0.14 0.00 0.00 178.00 178.81 1fjd n LYS 32 N -5.56 0.89 0.00 0.86 5.02 -1.26 -5.11 118.16 113.00 1fjd n LYS 32 Ca -0.15 -2.02 0.00 0.00 -2.02 0.00 0.00 58.31 54.12 1fjd n LYS 32 Cb 0.49 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 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 -0.93 -1.54 0.00 0.72 0.00 -1.26 -5.07 105.19 97.11 1fjd n GLY 33 Ca 0.10 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.21 0.39 0.00 -0.02 0.00 -1.26 -5.06 105.19 98.03 1fjd n GLY 34 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.62 1.00 -0.02 0.00 -1.26 -5.00 105.19 99.29 1fjd n GLY 35 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 0.42 0.00 -4.72 1.61 3.02 -1.26 -4.93 115.26 109.41 1fjd n ASN 36 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 1fjd n ASN 36 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 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 -2.00 3.38 -0.00 5.41 0.00 -1.26 -3.65 121.76 123.64 1fjd s ALA 37 Ca 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 51.96 50.75 1fjd s ALA 37 Cb 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.87 1fjd s ALA 37 CO 0.00 0.71 0.23 0.14 0.00 0.00 0.00 175.76 176.84 1fjd s VAL 38 N -1.35 0.07 -0.94 0.00 -7.23 -0.99 -1.42 120.40 108.54 1fjd s VAL 38 Ca 0.27 -0.61 -0.19 0.00 -1.81 0.00 0.00 61.98 59.64 1fjd s VAL 38 Cb -0.12 -0.58 0.13 0.00 0.56 0.00 0.00 36.38 36.37 1fjd s VAL 38 CO 0.20 -0.33 1.16 -0.75 -0.31 0.00 0.00 175.10 175.06 1fjd s LYS 39 N -1.50 3.61 0.07 4.82 2.47 0.06 -2.67 119.74 126.61 1fjd s LYS 39 Ca -0.13 -1.74 -0.05 0.00 -1.56 0.00 0.00 55.97 52.49 1fjd s LYS 39 Cb -0.06 -4.95 -0.05 0.00 -1.46 0.00 0.00 37.83 31.31 1fjd s LYS 39 CO 0.02 -1.80 0.31 0.54 0.16 0.00 0.00 175.35 174.58 1fjd s VAL 40 N 2.82 5.25 0.12 4.02 0.11 -1.24 0.30 120.40 131.78 1fjd s VAL 40 Ca 0.34 0.06 0.10 0.00 -2.93 0.00 0.00 61.98 59.54 1fjd s VAL 40 Cb -0.04 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 1fjd s VAL 40 CO -0.09 0.21 -0.24 -0.13 -3.33 0.00 0.00 175.10 171.52 1fjd s ARG 41 N -2.21 1.26 -0.19 1.54 3.00 0.96 -3.81 118.95 119.50 1fjd s ARG 41 Ca 0.34 -1.26 0.01 0.00 0.00 0.00 0.00 55.73 54.83 1fjd s ARG 41 Cb -0.13 -1.64 0.02 0.00 0.00 0.00 0.00 34.95 33.20 1fjd s ARG 41 CO 0.21 0.39 -0.19 -1.01 0.00 0.00 0.00 175.30 174.70 1fjd s HIS 42 N -1.12 2.82 -0.27 -0.53 3.76 0.20 -2.38 115.29 117.77 1fjd s HIS 42 Ca 0.10 -1.71 -0.00 0.00 -0.15 0.00 0.00 55.06 53.30 1fjd s HIS 42 Cb -0.10 -1.91 0.08 0.00 1.11 0.00 0.00 32.58 31.76 1fjd s HIS 42 CO 0.05 -0.81 0.04 0.42 -0.85 0.00 0.00 174.74 173.59 1fjd s ILE 43 N 1.27 1.15 -0.07 0.60 1.01 -1.03 -3.35 121.20 120.78 1fjd s ILE 43 Ca 0.03 -1.30 0.02 0.00 0.00 0.00 0.00 60.65 59.40 1fjd s ILE 43 Cb -0.14 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1fjd s ILE 43 CO -0.12 -0.42 -0.10 -0.22 0.00 0.00 0.00 174.94 174.08 1fjd s LEU 44 N 1.52 3.00 -0.01 2.97 2.96 -1.02 0.24 118.68 128.33 1fjd s LEU 44 Ca 0.04 -0.10 0.19 0.00 -0.22 0.00 0.00 54.13 54.04 1fjd s LEU 44 Cb -0.18 -1.64 -0.25 0.00 0.50 0.00 0.00 46.19 44.62 1fjd s LEU 44 CO -0.15 0.34 0.62 0.00 -1.32 0.00 0.00 176.35 175.84 1fjd n GLU 46 N -1.81 0.00 0.04 0.00 2.13 -1.26 -3.51 120.64 116.22 1fjd n GLU 46 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 1fjd n GLU 46 Cb 0.40 0.00 0.02 0.00 0.27 0.00 0.00 31.44 32.13 1fjd n GLU 46 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1fjd n LYS 47 N 0.00 0.36 -0.97 5.31 5.02 -1.26 -4.87 118.16 121.75 1fjd n LYS 47 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1fjd n LYS 47 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 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 -2.10 0.00 0.58 2.13 8.25 -1.23 -4.78 115.22 118.07 1fjd n HIS 48 Ca 0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.58 1fjd n HIS 48 Cb 0.46 -1.52 0.45 0.00 1.12 0.00 0.00 29.99 30.50 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 -0.08 -1.32 0.00 -1.41 0.00 -1.26 -3.16 105.19 97.96 1fjd n GLY 49 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.90 4.91 -0.28 1.61 0.00 -1.26 -4.57 118.16 116.66 1fjd n LYS 50 Ca 0.04 0.00 0.34 0.00 -0.00 0.00 0.00 58.31 58.69 1fjd n LYS 50 Cb 0.27 -0.52 0.73 0.00 -0.00 0.00 0.00 35.03 35.52 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 0.35 0.00 0.58 6.09 -1.87 2.49 117.51 125.15 1fjd h ILE 51 Ca 0.00 0.00 -0.29 0.00 -1.37 0.00 0.00 64.86 63.20 1fjd h ILE 51 Cb 0.00 0.38 -0.05 0.00 0.47 0.00 0.00 36.82 37.62 1fjd h ILE 51 CO 0.00 0.00 -1.71 0.23 -3.07 0.00 0.00 178.15 173.60 1fjd n MET 52 N -4.04 0.63 0.17 2.19 0.00 -1.26 -2.05 117.12 112.77 1fjd n MET 52 Ca 0.24 0.30 0.02 0.00 0.00 0.00 0.00 57.70 58.26 1fjd n MET 52 Cb 1.23 -1.79 0.30 0.00 0.00 0.00 0.00 33.22 32.96 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 -0.08 0.03 4.81 0.89 0.86 114.58 121.08 1fjd h GLU 53 Ca -0.29 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.79 1fjd h GLU 53 Cb 2.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.38 1fjd h GLU 53 CO 0.08 0.45 -0.62 0.00 -0.73 0.00 0.00 179.01 178.19 1fjd h ALA 54 N 1.55 0.79 -0.17 2.92 0.00 0.37 1.34 119.26 126.06 1fjd h ALA 54 Ca -0.00 -0.55 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 1fjd h ALA 54 Cb 0.82 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1fjd h ALA 54 CO 0.06 0.73 -0.43 0.52 0.00 0.00 0.00 179.25 180.13 1fjd h MET 55 N 0.22 0.59 0.18 0.00 2.86 -0.47 -2.57 114.93 115.73 1fjd h MET 55 Ca -0.01 -0.41 -0.01 0.00 -2.06 0.00 0.00 59.70 57.21 1fjd h MET 55 Cb 1.14 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.86 1fjd h MET 55 CO 0.10 1.03 -0.09 0.93 1.06 0.00 0.00 176.91 179.94 1fjd h GLU 56 N 0.25 -0.23 -0.34 1.72 4.39 0.83 -2.85 114.58 118.35 1fjd h GLU 56 Ca -0.01 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.74 1fjd h GLU 56 Cb 1.05 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.70 1fjd h GLU 56 CO 0.09 -0.15 -0.27 0.87 -1.16 0.00 0.00 179.01 178.39 1fjd h LYS 57 N -1.04 -0.09 -1.02 2.33 1.79 0.16 1.62 116.57 120.33 1fjd h LYS 57 Ca -0.02 0.01 0.36 0.00 -2.18 0.00 0.00 60.65 58.81 1fjd h LYS 57 Cb 0.18 0.02 -0.16 0.00 -1.58 0.00 0.00 32.23 30.70 1fjd h LYS 57 CO 0.04 -0.06 0.58 -0.07 -1.08 0.00 0.00 179.45 178.86 1fjd h LEU 58 N -0.09 0.44 0.00 2.94 3.38 -1.59 0.69 115.31 121.08 1fjd h LEU 58 Ca 0.06 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1fjd h LEU 58 Cb 0.23 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1fjd h LEU 58 CO -0.36 -0.23 0.00 0.29 0.09 0.00 0.00 178.44 178.23 1fjd n LYS 59 N -5.09 0.00 -0.57 1.13 4.76 0.37 -3.61 118.16 115.15 1fjd n LYS 59 Ca 0.34 0.48 0.44 0.00 -2.87 0.00 0.00 58.31 56.70 1fjd n LYS 59 Cb 1.10 -1.09 0.68 0.00 -1.84 0.00 0.00 35.03 33.89 1fjd n LYS 59 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1fjd n SER 60 N -1.94 0.00 0.00 4.39 7.64 0.46 -4.64 113.62 119.53 1fjd n SER 60 Ca 0.00 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.72 1fjd n SER 60 Cb 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 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 -1.78 1.35 0.00 0.23 0.00 0.08 -5.06 105.19 100.00 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 -0.23 3.49 -2.84 1.61 1.56 -0.28 -5.01 117.12 115.42 1fjd n MET 62 Ca 0.00 0.00 -0.40 0.00 -0.27 0.00 0.00 57.70 57.03 1fjd n MET 62 Cb 0.00 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.32 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 2.57 4.66 -0.11 2.12 0.52 -1.26 -4.83 118.95 122.62 1fjd s ARG 63 Ca 0.00 1.32 -0.04 0.00 -0.52 0.00 0.00 55.73 56.49 1fjd s ARG 63 Cb 0.00 -3.33 -0.26 0.00 0.52 0.00 0.00 34.95 31.88 1fjd s ARG 63 CO 0.00 0.36 0.41 0.34 0.02 0.00 0.00 175.30 176.43 1fjd n PHE 64 N 2.29 1.24 -0.00 -0.53 -0.00 -1.26 -3.86 117.46 115.33 1fjd n PHE 64 Ca -0.01 0.28 -0.17 0.00 -0.00 0.00 0.00 57.45 57.55 1fjd n PHE 64 Cb 0.49 -1.17 -0.14 0.00 -0.00 0.00 0.00 39.48 38.66 1fjd n PHE 64 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.76 177.03 1fjd n ASN 65 N -3.43 1.72 0.17 -2.13 0.23 0.20 -2.52 115.26 109.51 1fjd n ASN 65 Ca -0.30 0.27 -0.14 0.00 -0.53 0.00 0.00 54.58 53.88 1fjd n ASN 65 Cb 1.05 -0.60 -0.07 0.00 -2.08 0.00 0.00 39.78 38.08 1fjd n ASN 65 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1fjd h GLU 66 N 0.05 -0.58 -0.56 -3.83 4.39 -1.83 1.72 114.58 113.94 1fjd h GLU 66 Ca -0.38 0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.47 1fjd h GLU 66 Cb 2.03 0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 30.72 1fjd h GLU 66 CO 0.09 -0.39 0.03 -0.39 -1.16 0.00 0.00 179.01 177.19 1fjd h VAL 67 N -0.61 0.59 -0.77 3.13 -1.51 -1.73 0.50 116.25 115.86 1fjd h VAL 67 Ca 0.00 -0.05 0.15 0.00 -1.23 0.00 0.00 66.70 65.57 1fjd h VAL 67 Cb 0.58 0.42 -0.10 0.00 -2.13 0.00 0.00 31.29 30.06 1fjd h VAL 67 CO -0.11 0.03 0.29 0.00 -1.23 0.00 0.00 177.57 176.55 1fjd h ALA 68 N 1.48 1.08 -0.47 5.19 0.00 -0.30 2.18 119.26 128.43 1fjd h ALA 68 Ca 0.29 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.37 1fjd h ALA 68 Cb 0.44 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1fjd h ALA 68 CO -0.44 -0.25 -0.29 0.00 0.00 0.00 0.00 179.25 178.27 1fjd h ALA 69 N 1.57 -0.30 0.00 0.00 0.00 0.75 0.14 119.26 121.42 1fjd h ALA 69 Ca 0.43 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1fjd h ALA 69 Cb 0.68 1.16 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1fjd h ALA 69 CO -0.43 -0.51 -0.37 0.94 0.00 0.00 0.00 179.25 178.88 1fjd n GLN 70 N -4.12 0.31 -0.67 0.00 0.00 -0.54 -3.30 117.38 109.06 1fjd n GLN 70 Ca 0.01 0.41 0.52 0.00 -0.00 0.00 0.00 57.00 57.93 1fjd n GLN 70 Cb 0.13 -1.36 0.81 0.00 0.00 0.00 0.00 30.24 29.82 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 -0.67 0.00 -3.72 3.69 -1.99 0.35 -3.38 116.97 111.24 1fjd h TYR 71 Ca 0.00 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.57 1fjd h TYR 71 Cb 0.37 0.00 0.04 0.00 2.00 0.00 0.00 36.73 39.14 1fjd h TYR 71 CO -0.16 0.00 0.07 -1.13 -0.00 0.00 0.00 178.16 176.94 1fjd n SER 72 N -3.93 0.37 -3.39 3.88 3.41 0.48 -1.82 113.62 112.62 1fjd n SER 72 Ca 0.43 -1.35 -0.40 0.00 -0.26 0.00 0.00 58.87 57.29 1fjd n SER 72 Cb 1.96 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 65.62 1fjd n SER 72 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1fjd n GLU 73 N -1.74 3.60 0.00 4.33 -0.00 -1.03 -3.85 120.64 121.95 1fjd n GLU 73 Ca 0.06 -2.32 0.00 0.00 -0.00 0.00 0.00 57.16 54.90 1fjd n GLU 73 Cb 0.21 -2.87 0.00 0.00 -0.00 0.00 0.00 31.44 28.78 1fjd n GLU 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1fjd n ASP 74 N 3.92 0.00 -4.68 -1.84 2.03 -1.21 -4.86 116.55 109.91 1fjd n ASP 74 Ca 0.74 0.00 -0.46 0.00 0.52 0.00 0.00 54.79 55.59 1fjd n ASP 74 Cb 0.26 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.62 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 2.37 0.00 -0.67 0.00 -1.26 -4.44 118.16 114.17 1fjd n LYS 75 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 58.31 59.18 1fjd n LYS 75 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 35.03 32.30 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 6.25 0.00 -2.97 3.14 0.00 -1.26 -4.12 120.51 121.56 1fjd n ALA 76 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.65 1fjd n ALA 76 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.77 1fjd n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fjd n ARG 77 N 0.00 -1.82 0.00 0.00 5.12 -1.26 0.12 116.66 118.83 1fjd n ARG 77 Ca 0.00 1.74 0.00 0.00 -1.93 0.00 0.00 57.85 57.66 1fjd n ARG 77 Cb 0.00 -3.07 0.00 0.00 -1.16 0.00 0.00 32.46 28.23 1fjd n ARG 77 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1fjd n GLN 78 N 1.03 0.00 -2.61 5.56 0.00 -1.26 -1.69 117.38 118.41 1fjd n GLN 78 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 56.95 1fjd n GLN 78 Cb 0.26 0.00 0.08 0.00 0.00 0.00 0.00 30.24 30.58 1fjd n GLN 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fjd n GLY 79 N 0.00 0.71 1.40 1.69 0.00 -1.17 -0.62 105.19 107.19 1fjd n GLY 79 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1fjd n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjd n GLY 80 N -0.68 0.86 3.47 -0.02 0.00 0.33 -1.53 105.19 107.63 1fjd n GLY 80 Ca -0.12 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.89 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 1.02 3.90 0.24 1.61 -0.08 -1.07 0.60 116.55 122.77 1fjd n ASP 81 Ca 0.00 -2.80 0.14 0.00 -1.51 0.00 0.00 54.79 50.61 1fjd n ASP 81 Cb 0.50 -1.69 0.74 0.00 2.34 0.00 0.00 41.12 43.01 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 14.56 0.00 0.00 -2.67 -0.00 -1.92 -3.47 115.31 121.80 1fjd h LEU 82 Ca 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.24 1fjd h LEU 82 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.52 1fjd h LEU 82 CO 1.44 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 180.49 1fjd n GLY 83 N -1.23 0.95 3.33 0.83 0.00 -1.26 -4.98 105.19 102.84 1fjd n GLY 83 Ca -0.02 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 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 0.88 -1.79 -3.80 1.61 7.02 -1.26 -4.46 117.44 115.64 1fjd n TRP 84 Ca 0.00 0.59 -0.13 0.00 -1.02 0.00 0.00 57.50 56.94 1fjd n TRP 84 Cb 0.00 -1.82 -0.14 0.00 -2.42 0.00 0.00 31.31 26.93 1fjd n TRP 84 CO 0.00 0.00 0.00 1.41 -2.02 0.00 0.00 177.69 177.08 1fjd s MET 85 N -1.19 0.08 0.12 -0.99 1.75 -1.09 -4.94 119.30 113.05 1fjd s MET 85 Ca 0.60 0.23 0.10 0.00 -1.25 0.00 0.00 55.69 55.38 1fjd s MET 85 Cb -0.60 -0.08 -0.04 0.00 2.84 0.00 0.00 34.83 36.95 1fjd s MET 85 CO 0.62 -0.09 -0.25 0.95 -0.65 0.00 0.00 175.02 175.59 1fjd s THR 86 N 0.62 2.38 0.83 10.11 -4.23 -1.26 -2.34 115.64 121.75 1fjd s THR 86 Ca -0.05 -1.67 -0.13 0.00 -1.18 0.00 0.00 61.69 58.66 1fjd s THR 86 Cb -0.06 -2.05 0.07 0.00 1.34 0.00 0.00 72.50 71.79 1fjd s THR 86 CO -0.03 0.12 1.02 -1.14 -0.54 0.00 0.00 174.62 174.05 1fjd n ARG 87 N 0.96 0.07 0.00 3.99 0.63 -1.24 -3.38 116.66 117.68 1fjd n ARG 87 Ca -0.17 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1fjd n ARG 87 Cb 0.53 -2.29 0.00 0.00 0.45 0.00 0.00 32.46 31.15 1fjd n ARG 87 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1fjd n GLY 88 N 0.76 3.05 0.00 5.14 0.00 -1.26 -4.80 105.19 108.08 1fjd n GLY 88 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 1.00 0.00 1.61 2.88 -1.22 -5.06 113.62 112.84 1fjd n SER 89 Ca 0.00 -1.46 0.00 0.00 -1.33 0.00 0.00 58.87 56.08 1fjd n SER 89 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.23 3.77 -4.36 -1.46 0.00 -1.26 -5.05 117.12 108.53 1fjd n MET 90 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.47 1fjd n MET 90 Cb 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 33.22 33.47 1fjd n MET 90 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1fjd s VAL 91 N 3.11 3.10 0.00 1.12 1.01 -1.26 -5.01 120.40 122.47 1fjd s VAL 91 Ca 0.00 -2.09 -0.23 0.00 0.00 0.00 0.00 61.98 59.66 1fjd s VAL 91 Cb 0.00 -2.65 -0.13 0.00 0.00 0.00 0.00 36.38 33.60 1fjd s VAL 91 CO 0.00 -0.38 0.99 1.23 0.00 0.00 0.00 175.10 176.94 1fjd h GLY 92 N 2.02 -0.86 0.94 4.51 0.00 -1.99 -1.81 103.07 105.88 1fjd h GLY 92 Ca -0.43 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1fjd h GLY 92 CO 0.60 -0.31 -0.18 -2.55 0.00 0.00 0.00 176.54 174.10 1fjd h PRO 93 N -1.15 -0.45 -0.13 4.80 0.10 -1.96 0.37 132.00 133.58 1fjd h PRO 93 Ca -0.08 0.03 0.05 0.00 0.10 0.00 0.00 66.00 66.09 1fjd h PRO 93 Cb 0.63 0.10 -0.06 0.00 0.10 0.00 0.00 31.00 31.77 1fjd h PRO 93 CO 0.14 -0.30 -0.30 0.35 0.10 0.00 0.00 178.00 177.99 1fjd h PHE 94 N -0.46 -0.84 -0.26 0.65 3.04 -1.91 -2.22 116.94 114.94 1fjd h PHE 94 Ca -0.04 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1fjd h PHE 94 Cb 0.38 0.39 -0.01 0.00 2.56 0.00 0.00 35.95 39.26 1fjd h PHE 94 CO -0.08 -0.38 0.12 0.37 -2.02 0.00 0.00 178.31 176.32 1fjd h GLN 95 N -0.38 0.37 -1.34 1.11 -0.00 -1.22 -2.35 115.11 111.31 1fjd h GLN 95 Ca 0.10 -0.06 0.39 0.00 -0.00 0.00 0.00 58.65 59.08 1fjd h GLN 95 Cb 0.53 -0.07 -0.08 0.00 0.00 0.00 0.00 27.48 27.86 1fjd h GLN 95 CO -0.34 0.38 0.93 0.93 0.00 0.00 0.00 178.83 180.73 1fjd h GLU 96 N 0.28 0.09 0.00 1.69 4.39 0.33 -1.60 114.58 119.75 1fjd h GLU 96 Ca 0.09 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1fjd h GLU 96 Cb 0.13 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1fjd h GLU 96 CO -0.01 0.06 0.00 0.00 -1.16 0.00 0.00 179.01 177.90 1fjd n ALA 97 N -2.69 0.00 -0.01 3.43 0.00 -0.92 -3.89 120.51 116.44 1fjd n ALA 97 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.75 1fjd n ALA 97 Cb 1.36 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.80 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 -0.35 -1.64 0.00 0.00 -1.50 1.24 119.26 115.01 1fjd h ALA 98 Ca 0.00 -0.00 0.49 0.00 0.00 0.00 0.00 54.91 55.40 1fjd h ALA 98 Cb 0.00 0.69 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 1fjd h ALA 98 CO 0.00 -0.37 1.14 0.74 0.00 0.00 0.00 179.25 180.76 1fjd h PHE 99 N -0.02 0.19 -0.41 0.00 -1.00 -1.47 2.14 116.94 116.36 1fjd h PHE 99 Ca 0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1fjd h PHE 99 Cb 0.03 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.55 1fjd h PHE 99 CO -0.56 -0.08 0.00 0.00 -1.61 0.00 0.00 178.31 176.06 1fjd n ALA 100 N -2.76 2.37 -2.54 2.45 0.00 0.36 -4.61 120.51 115.77 1fjd n ALA 100 Ca 0.39 -1.05 -0.25 0.00 0.00 0.00 0.00 53.44 52.53 1fjd n ALA 100 Cb 1.71 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 20.32 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 -1.23 2.93 0.73 0.00 1.43 0.72 -4.96 118.68 118.30 1fjd s LEU 101 Ca 0.35 -1.11 -0.14 0.00 -1.03 0.00 0.00 54.13 52.20 1fjd s LEU 101 Cb 0.20 -1.21 0.04 0.00 0.03 0.00 0.00 46.19 45.24 1fjd s LEU 101 CO 0.27 -0.31 1.17 -2.16 0.23 0.00 0.00 176.35 175.54 1fjd s PRO 102 N -3.72 2.23 0.59 1.29 0.05 -1.26 -4.85 135.00 129.33 1fjd s PRO 102 Ca 0.35 1.60 -0.15 0.00 0.05 0.00 0.00 61.00 62.85 1fjd s PRO 102 Cb 0.03 -1.86 -0.04 0.00 0.05 0.00 0.00 34.50 32.68 1fjd s PRO 102 CO 0.19 -1.73 1.04 0.08 0.05 0.00 0.00 177.00 176.63 1fjd s VAL 103 N -2.20 4.04 0.00 -0.36 1.01 -1.26 -4.31 120.40 117.32 1fjd s VAL 103 Ca 0.71 0.91 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1fjd s VAL 103 Cb -0.25 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1fjd s VAL 103 CO 0.46 -0.63 0.00 -1.20 0.00 0.00 0.00 175.10 173.73 1fjd n SER 104 N -2.13 0.00 -1.37 3.32 7.64 -0.18 -4.73 113.62 116.17 1fjd n SER 104 Ca 0.08 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.12 1fjd n SER 104 Cb 0.53 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.65 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 -2.96 7.00 0.23 0.00 -1.26 -4.61 105.19 103.60 1fjd n GLY 105 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -4.23 0.00 0.13 1.61 1.56 -1.26 -3.77 117.12 111.16 1fjd n MET 106 Ca -0.08 0.00 0.01 0.00 -0.27 0.00 0.00 57.70 57.36 1fjd n MET 106 Cb 0.63 0.00 -0.00 0.00 2.15 0.00 0.00 33.22 36.00 1fjd n MET 106 CO 0.00 0.00 0.00 0.38 -0.73 0.00 0.00 175.97 175.62 1fjd h ASP 107 N 0.00 0.00 -1.47 6.12 3.04 -1.90 -3.34 116.42 118.87 1fjd h ASP 107 Ca 0.00 0.00 -0.59 0.00 -3.24 0.00 0.00 57.03 53.20 1fjd h ASP 107 Cb 0.00 0.00 -0.41 0.00 -1.04 0.00 0.00 39.33 37.88 1fjd h ASP 107 CO 0.00 0.59 -0.66 2.29 -2.04 0.00 0.00 179.24 179.42 1fjd n LYS 108 N -3.25 3.42 -0.06 4.15 2.85 -1.25 -5.06 118.16 118.95 1fjd n LYS 108 Ca 0.02 -4.44 -0.05 0.00 -1.05 0.00 0.00 58.31 52.79 1fjd n LYS 108 Cb 0.77 -2.25 0.05 0.00 -0.65 0.00 0.00 35.03 32.94 1fjd n LYS 108 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1fjd n PRO 109 N -0.50 -1.67 0.00 -1.58 -0.01 -1.25 -4.13 135.00 125.85 1fjd n PRO 109 Ca 0.40 -0.23 0.00 0.00 -0.01 0.00 0.00 63.50 63.66 1fjd n PRO 109 Cb 0.67 -0.34 0.00 0.00 -0.01 0.00 0.00 33.50 33.82 1fjd n PRO 109 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 175.50 176.82 1fjd n VAL 110 N -3.30 0.00 0.29 -1.45 0.24 -1.26 -4.65 118.33 108.20 1fjd n VAL 110 Ca 0.02 0.00 0.14 0.00 -2.04 0.00 0.00 64.34 62.46 1fjd n VAL 110 Cb 0.10 0.00 0.40 0.00 -1.47 0.00 0.00 33.84 32.87 1fjd n VAL 110 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 1fjd h PHE 111 N -1.25 0.00 -0.55 6.34 -1.00 -1.92 -3.44 116.94 115.12 1fjd h PHE 111 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 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 0.00 0.00 -2.37 -1.61 0.00 0.00 178.31 174.33 1fjd n THR 112 N -2.96 0.00 -4.21 -1.55 5.66 -1.26 -5.08 114.28 104.88 1fjd n THR 112 Ca 0.03 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.71 1fjd n THR 112 Cb 0.42 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.12 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 -1.00 5.18 0.07 1.09 1.01 -1.26 -4.93 116.67 116.83 1fjd s ASP 113 Ca 0.00 -0.04 -0.31 0.00 0.71 0.00 0.00 52.55 52.91 1fjd s ASP 113 Cb 0.00 -1.34 -0.18 0.00 1.01 0.00 0.00 42.92 42.41 1fjd s ASP 113 CO 0.00 0.24 1.61 -0.65 0.21 0.00 0.00 175.17 176.59 1fjd h PRO 114 N 3.99 -0.72 -5.50 8.23 0.11 -1.90 -3.36 132.00 132.85 1fjd h PRO 114 Ca -0.48 0.05 -0.26 0.00 0.11 0.00 0.00 66.00 65.42 1fjd h PRO 114 Cb 1.17 0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.41 1fjd h PRO 114 CO 0.59 -0.47 0.76 -1.25 -0.21 0.00 0.00 178.00 177.42 1fjd s PRO 115 N -5.98 2.29 0.06 1.05 0.05 -1.13 -2.33 135.00 129.01 1fjd s PRO 115 Ca -0.17 -0.66 0.00 0.00 0.05 0.00 0.00 61.00 60.22 1fjd s PRO 115 Cb 0.04 -5.12 -0.04 0.00 0.05 0.00 0.00 34.50 29.43 1fjd s PRO 115 CO 0.62 -4.01 0.20 0.14 0.05 0.00 0.00 177.00 174.01 1fjd s VAL 116 N 11.73 5.34 -0.04 -0.36 -7.23 0.80 -4.34 120.40 126.29 1fjd s VAL 116 Ca 0.72 -0.42 -0.08 0.00 -1.81 0.00 0.00 61.98 60.40 1fjd s VAL 116 Cb -0.04 -3.61 -0.05 0.00 0.56 0.00 0.00 36.38 33.25 1fjd s VAL 116 CO 0.09 0.13 0.24 -0.75 -0.31 0.00 0.00 175.10 174.50 1fjd s LYS 117 N -2.52 3.58 0.00 4.82 2.36 -1.25 -1.23 119.74 125.50 1fjd s LYS 117 Ca 0.35 -0.02 0.00 0.00 -2.55 0.00 0.00 55.97 53.74 1fjd s LYS 117 Cb -0.13 -3.14 0.00 0.00 -1.05 0.00 0.00 37.83 33.51 1fjd s LYS 117 CO 0.28 0.70 0.00 -2.37 1.55 0.00 0.00 175.35 175.51 1fjd n THR 118 N 1.54 0.00 -0.10 3.43 5.66 -1.25 -4.90 114.28 118.66 1fjd n THR 118 Ca -0.15 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.74 1fjd n THR 118 Cb 0.53 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.18 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 -0.62 0.86 0.00 1.09 3.00 -1.26 -4.96 118.16 116.27 1fjd n LYS 119 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 1fjd n LYS 119 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 35.03 33.55 1fjd n LYS 119 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1fjd n PHE 120 N -2.82 0.00 -2.76 5.64 7.35 -1.26 -5.16 117.46 118.45 1fjd n PHE 120 Ca -0.33 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.36 1fjd n PHE 120 Cb 1.07 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.90 1fjd n PHE 120 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1fjd n GLY 121 N -0.04 3.17 3.67 7.13 0.00 -1.26 -5.06 105.19 112.79 1fjd n GLY 121 Ca 0.00 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 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 -4.49 3.40 0.10 1.61 2.02 -1.26 -3.83 117.35 114.91 1fjd s TYR 122 Ca 0.00 0.91 0.08 0.00 -0.37 0.00 0.00 57.07 57.69 1fjd s TYR 122 Cb 0.00 -2.75 -0.04 0.00 -0.40 0.00 0.00 41.96 38.78 1fjd s TYR 122 CO 0.00 -0.11 -0.21 -3.38 -1.57 0.00 0.00 175.55 170.28 1fjd s HIS 123 N 1.66 1.78 -0.40 2.71 -3.43 -0.37 -3.45 115.29 113.80 1fjd s HIS 123 Ca 0.28 -0.42 -0.22 0.00 -0.80 0.00 0.00 55.06 53.90 1fjd s HIS 123 Cb -0.16 -0.97 0.02 0.00 -1.43 0.00 0.00 32.58 30.04 1fjd s HIS 123 CO 0.11 0.21 0.72 0.42 -2.00 0.00 0.00 174.74 174.20 1fjd s ILE 124 N -1.20 4.76 -0.16 -5.38 1.01 0.64 -0.14 121.20 120.73 1fjd s ILE 124 Ca 0.07 0.52 -0.20 0.00 0.00 0.00 0.00 60.65 61.03 1fjd s ILE 124 Cb -0.10 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 1fjd s ILE 124 CO 0.04 -0.53 0.58 -0.63 0.00 0.00 0.00 174.94 174.40 1fjd s ILE 125 N 3.02 5.08 -0.30 2.92 1.01 -0.98 -2.48 121.20 129.47 1fjd s ILE 125 Ca 0.28 1.12 0.02 0.00 0.00 0.00 0.00 60.65 62.07 1fjd s ILE 125 Cb -0.13 -3.91 0.09 0.00 0.01 0.00 0.00 42.46 38.52 1fjd s ILE 125 CO 0.19 0.20 0.02 -0.32 0.00 0.00 0.00 174.94 175.02 1fjd s MET 126 N 1.37 1.46 0.22 2.79 -2.45 -1.00 -4.29 119.30 117.40 1fjd s MET 126 Ca 0.28 -1.48 -0.12 0.00 -1.25 0.00 0.00 55.69 53.12 1fjd s MET 126 Cb -0.16 -2.81 -0.07 0.00 1.25 0.00 0.00 34.83 33.03 1fjd s MET 126 CO 0.11 -0.83 0.59 0.08 1.05 0.00 0.00 175.02 176.02 1fjd s VAL 127 N 1.16 4.85 -0.38 10.11 1.01 -1.22 -0.03 120.40 135.89 1fjd s VAL 127 Ca 0.05 0.70 0.04 0.00 0.00 0.00 0.00 61.98 62.77 1fjd s VAL 127 Cb -0.19 -3.66 0.16 0.00 0.00 0.00 0.00 36.38 32.69 1fjd s VAL 127 CO -0.11 0.02 0.42 -0.70 0.00 0.00 0.00 175.10 174.73 1fjd s GLU 128 N -2.55 0.68 0.00 2.72 2.12 0.89 -1.01 118.70 121.55 1fjd s GLU 128 Ca 0.45 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 55.00 1fjd s GLU 128 Cb -0.12 -0.59 0.00 0.00 0.26 0.00 0.00 34.13 33.68 1fjd s GLU 128 CO 0.20 -1.20 0.00 0.41 -0.54 0.00 0.00 175.26 174.13 1fjd n GLY 129 N 4.23 -1.73 2.24 -1.50 0.00 -1.26 -2.89 105.19 104.28 1fjd n GLY 129 Ca 0.12 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 0.66 0.36 0.00 1.61 -4.01 -1.25 -0.76 116.66 113.27 1fjd n ARG 130 Ca 0.00 -2.14 0.00 0.00 -1.04 0.00 0.00 57.85 54.67 1fjd n ARG 130 Cb 0.00 1.87 0.00 0.00 -3.04 0.00 0.00 32.46 31.29 1fjd n ARG 130 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22