#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 -6.21 0.00 1.61 7.64 -1.26 -4.92 113.62 110.48 1fjd n SER 29 Ca 0.00 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1fjd n SER 29 Cb 0.00 -3.09 0.00 0.00 -1.01 0.00 0.00 64.21 60.11 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 -1.01 -1.25 0.00 0.23 0.00 -1.26 -5.12 105.19 96.78 1fjd n GLY 30 Ca -0.11 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1fjd n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fjd n PRO 31 N 0.00 -0.05 -1.88 1.61 -0.05 -1.26 -4.87 135.00 128.49 1fjd n PRO 31 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.45 1fjd n PRO 31 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 1fjd n PRO 31 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 175.50 176.62 1fjd n LYS 32 N -0.72 -4.61 0.00 0.54 0.00 -1.26 -5.03 118.16 107.08 1fjd n LYS 32 Ca 0.00 3.36 0.00 0.00 0.00 0.00 0.00 58.31 61.67 1fjd n LYS 32 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 35.03 31.36 1fjd n LYS 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1fjd n GLY 33 N 1.58 -0.51 0.06 3.14 0.00 -1.26 -5.03 105.19 103.16 1fjd n GLY 33 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.67 0.00 -0.02 0.00 -1.26 -5.07 105.19 100.51 1fjd n GLY 34 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.29 0.78 2.76 -0.02 0.00 -1.26 -5.10 105.19 101.06 1fjd n GLY 35 Ca 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 1fjd n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fjd n ASN 36 N 0.00 -4.32 -3.79 1.61 3.02 -1.15 -4.83 115.26 105.79 1fjd n ASN 36 Ca 0.00 1.24 -0.13 0.00 -0.03 0.00 0.00 54.58 55.66 1fjd n ASN 36 Cb 0.00 -4.45 -0.10 0.00 -0.61 0.00 0.00 39.78 34.62 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 -0.92 -0.64 -0.01 5.41 0.00 -1.22 -4.05 121.76 120.33 1fjd s ALA 37 Ca -0.13 0.33 -0.17 0.00 0.00 0.00 0.00 51.96 51.99 1fjd s ALA 37 Cb 0.01 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 23.10 1fjd s ALA 37 CO 0.61 -0.21 0.36 0.14 0.00 0.00 0.00 175.76 176.66 1fjd s VAL 38 N -0.95 0.05 -0.52 0.00 -7.23 -1.00 -1.55 120.40 109.20 1fjd s VAL 38 Ca -0.10 -0.44 -0.23 0.00 -1.81 0.00 0.00 61.98 59.40 1fjd s VAL 38 Cb -0.05 -0.72 0.04 0.00 0.56 0.00 0.00 36.38 36.21 1fjd s VAL 38 CO 0.03 -0.24 0.84 -0.75 -0.31 0.00 0.00 175.10 174.66 1fjd s LYS 39 N -1.53 3.31 0.03 4.82 2.47 -0.66 -2.45 119.74 125.73 1fjd s LYS 39 Ca -0.12 -0.35 0.01 0.00 -1.56 0.00 0.00 55.97 53.96 1fjd s LYS 39 Cb -0.04 -4.03 -0.04 0.00 -1.46 0.00 0.00 37.83 32.26 1fjd s LYS 39 CO 0.04 -1.34 0.08 0.14 0.16 0.00 0.00 175.35 174.42 1fjd s VAL 40 N 3.53 4.64 0.03 4.02 -7.23 -1.24 0.20 120.40 124.35 1fjd s VAL 40 Ca 0.27 -0.57 0.01 0.00 -1.81 0.00 0.00 61.98 59.88 1fjd s VAL 40 Cb -0.14 -3.17 -0.02 0.00 0.56 0.00 0.00 36.38 33.61 1fjd s VAL 40 CO 0.19 0.25 -0.05 -0.13 -0.31 0.00 0.00 175.10 175.05 1fjd s ARG 41 N -2.03 0.39 -0.13 4.82 0.52 -0.91 -3.21 118.95 118.41 1fjd s ARG 41 Ca 0.26 -0.67 -0.09 0.00 -0.52 0.00 0.00 55.73 54.71 1fjd s ARG 41 Cb -0.12 -0.04 0.04 0.00 0.52 0.00 0.00 34.95 35.35 1fjd s ARG 41 CO 0.18 -0.01 0.31 -1.01 0.02 0.00 0.00 175.30 174.79 1fjd s HIS 42 N -1.46 -0.40 -0.21 -0.53 0.09 -1.24 -2.13 115.29 109.41 1fjd s HIS 42 Ca -0.14 0.92 -0.00 0.00 -0.00 0.00 0.00 55.06 55.85 1fjd s HIS 42 Cb -0.10 0.13 0.06 0.00 -0.00 0.00 0.00 32.58 32.67 1fjd s HIS 42 CO -0.01 -0.23 -0.04 0.42 -0.00 0.00 0.00 174.74 174.89 1fjd s ILE 43 N 0.80 1.26 0.11 0.60 1.01 -1.11 -2.40 121.20 121.48 1fjd s ILE 43 Ca -0.05 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 59.69 1fjd s ILE 43 Cb -0.06 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1fjd s ILE 43 CO -0.05 -0.07 -0.12 -0.22 0.00 0.00 0.00 174.94 174.47 1fjd s LEU 44 N 1.53 2.94 -0.20 2.97 2.96 0.12 -0.79 118.68 128.21 1fjd s LEU 44 Ca -0.04 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1fjd s LEU 44 Cb -0.18 -1.75 0.05 0.00 0.50 0.00 0.00 46.19 44.81 1fjd s LEU 44 CO -0.07 0.18 -0.08 0.00 -1.32 0.00 0.00 176.35 175.06 1fjd h GLU 46 N 8.00 0.00 -0.01 0.00 4.81 -1.88 -2.25 114.58 123.25 1fjd h GLU 46 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1fjd h GLU 46 Cb 1.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1fjd h GLU 46 CO 0.44 0.09 -0.54 0.36 -0.73 0.00 0.00 179.01 178.63 1fjd n LYS 47 N -3.43 1.43 -1.18 1.92 0.00 -1.26 -4.95 118.16 110.70 1fjd n LYS 47 Ca -0.01 -0.58 -0.08 0.00 -0.00 0.00 0.00 58.31 57.64 1fjd n LYS 47 Cb 0.24 -1.34 -0.03 0.00 -0.00 0.00 0.00 35.03 33.90 1fjd n LYS 47 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1fjd n HIS 48 N -0.54 -0.04 0.06 5.58 8.25 -0.85 -4.78 115.22 122.90 1fjd n HIS 48 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 1fjd n HIS 48 Cb 0.35 -2.45 -0.14 0.00 1.12 0.00 0.00 29.99 28.87 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 0.19 0.00 -1.41 0.00 -1.92 -3.36 103.07 96.56 1fjd h GLY 49 Ca -0.16 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1fjd h GLY 49 CO 0.24 0.42 -1.38 0.28 0.00 0.00 0.00 176.54 176.10 1fjd n LYS 50 N -3.39 0.91 -0.37 4.80 4.01 -1.26 -4.38 118.16 118.48 1fjd n LYS 50 Ca -0.11 -0.09 0.34 0.00 -0.51 0.00 0.00 58.31 57.93 1fjd n LYS 50 Cb 1.02 -1.26 0.69 0.00 -0.51 0.00 0.00 35.03 34.96 1fjd n LYS 50 CO 0.00 0.00 0.00 0.97 -1.11 0.00 0.00 177.40 177.26 1fjd h ILE 51 N 0.00 0.37 0.01 -0.18 -0.00 -1.82 2.45 117.51 118.34 1fjd h ILE 51 Ca 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 64.86 64.82 1fjd h ILE 51 Cb 0.53 0.25 0.00 0.00 -0.00 0.00 0.00 36.82 37.61 1fjd h ILE 51 CO 0.00 0.02 -0.01 -0.03 -0.00 0.00 0.00 178.15 178.13 1fjd h MET 52 N 0.11 -0.02 -0.28 2.19 4.05 -1.76 -2.66 114.93 116.56 1fjd h MET 52 Ca 0.63 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 60.13 1fjd h MET 52 Cb 2.25 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 33.04 1fjd h MET 52 CO -0.12 0.78 0.21 1.49 0.23 0.00 0.00 176.91 179.50 1fjd h GLU 53 N -0.90 0.00 -0.33 0.39 4.81 -0.72 2.73 114.58 120.57 1fjd h GLU 53 Ca -0.00 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1fjd h GLU 53 Cb 0.81 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 1fjd h GLU 53 CO 0.00 0.00 0.22 0.00 -0.73 0.00 0.00 179.01 178.50 1fjd h ALA 54 N 1.85 1.86 0.05 2.92 0.00 0.42 2.29 119.26 128.64 1fjd h ALA 54 Ca 0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1fjd h ALA 54 Cb 0.54 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1fjd h ALA 54 CO -0.00 0.11 -0.53 0.52 0.00 0.00 0.00 179.25 179.35 1fjd h MET 55 N 0.36 0.10 0.46 0.00 2.86 0.48 -3.03 114.93 116.15 1fjd h MET 55 Ca 0.13 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1fjd h MET 55 Cb 0.07 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1fjd h MET 55 CO -0.03 1.08 -0.22 0.93 1.06 0.00 0.00 176.91 179.73 1fjd h GLU 56 N -0.78 -0.59 -0.52 1.72 3.07 0.11 -1.61 114.58 115.98 1fjd h GLU 56 Ca -0.12 0.04 0.05 0.00 -0.50 0.00 0.00 59.36 58.83 1fjd h GLU 56 Cb 1.28 0.14 -0.08 0.00 -0.84 0.00 0.00 28.75 29.25 1fjd h GLU 56 CO 0.01 -0.40 -0.44 -0.22 -1.40 0.00 0.00 179.01 176.56 1fjd h LYS 57 N -1.01 -0.17 -1.01 2.33 3.64 0.36 0.54 116.57 121.26 1fjd h LYS 57 Ca -0.06 0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.55 1fjd h LYS 57 Cb 0.47 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.22 1fjd h LYS 57 CO 0.10 -0.11 0.61 -0.07 -2.27 0.00 0.00 179.45 177.71 1fjd h LEU 58 N -0.17 0.70 0.00 5.20 3.38 -1.55 0.18 115.31 123.05 1fjd h LEU 58 Ca 0.09 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1fjd h LEU 58 Cb 0.40 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1fjd h LEU 58 CO -0.58 0.19 0.00 0.29 0.09 0.00 0.00 178.44 178.43 1fjd n LYS 59 N -4.80 0.00 -0.42 1.13 5.02 0.16 -3.52 118.16 115.73 1fjd n LYS 59 Ca 0.25 0.20 0.33 0.00 -2.02 0.00 0.00 58.31 57.07 1fjd n LYS 59 Cb 0.68 -0.94 0.53 0.00 -0.02 0.00 0.00 35.03 35.28 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 -1.09 0.07 0.00 4.39 7.64 0.43 -4.57 113.62 120.49 1fjd n SER 60 Ca 0.00 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.71 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 -1.51 1.10 0.00 0.23 0.00 -0.87 -5.10 105.19 99.04 1fjd n GLY 61 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.91 -2.31 1.61 2.81 0.57 -4.85 117.12 114.04 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 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 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 -2.15 4.48 -0.06 0.03 0.52 -1.26 -4.71 118.95 115.79 1fjd s ARG 63 Ca 0.00 1.97 0.08 0.00 -0.52 0.00 0.00 55.73 57.26 1fjd s ARG 63 Cb 0.00 -3.18 -0.24 0.00 0.52 0.00 0.00 34.95 32.05 1fjd s ARG 63 CO 0.00 -0.07 0.59 1.19 0.02 0.00 0.00 175.30 177.03 1fjd n PHE 64 N 1.86 1.07 0.02 -0.53 3.01 -1.26 -3.35 117.46 118.27 1fjd n PHE 64 Ca 0.02 0.34 -0.13 0.00 1.01 0.00 0.00 57.45 58.69 1fjd n PHE 64 Cb 0.44 -1.18 -0.14 0.00 -0.01 0.00 0.00 39.48 38.59 1fjd n PHE 64 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1fjd h ASN 65 N 0.02 0.21 -0.15 4.37 -1.24 -1.95 -1.22 115.58 115.61 1fjd h ASN 65 Ca -0.32 -0.35 -0.07 0.00 0.71 0.00 0.00 56.30 56.27 1fjd h ASN 65 Cb 2.02 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 41.00 1fjd h ASN 65 CO 0.08 1.31 -0.18 -0.33 -1.29 0.00 0.00 177.43 177.02 1fjd h GLU 66 N 0.04 0.38 0.06 6.67 4.39 -1.97 1.41 114.58 125.55 1fjd h GLU 66 Ca -0.27 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.22 1fjd h GLU 66 Cb 1.99 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.66 1fjd h GLU 66 CO 0.11 0.78 -0.03 -0.39 -1.16 0.00 0.00 179.01 178.32 1fjd h VAL 67 N 0.00 1.17 -0.46 3.13 -1.51 -1.70 -1.99 116.25 114.89 1fjd h VAL 67 Ca 0.02 -0.85 0.13 0.00 -1.23 0.00 0.00 66.70 64.77 1fjd h VAL 67 Cb 0.73 1.72 -0.02 0.00 -2.13 0.00 0.00 31.29 31.59 1fjd h VAL 67 CO 0.04 0.21 0.33 0.00 -1.23 0.00 0.00 177.57 176.92 1fjd h ALA 68 N 0.43 2.37 -1.34 5.19 0.00 -1.18 2.19 119.26 126.92 1fjd h ALA 68 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1fjd h ALA 68 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1fjd h ALA 68 CO 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 179.25 178.76 1fjd n ALA 69 N -2.61 -0.16 -0.07 0.00 0.00 0.48 -2.75 120.51 115.41 1fjd n ALA 69 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.30 1fjd n ALA 69 Cb 0.51 0.16 -0.12 0.00 0.00 0.00 0.00 19.45 20.00 1fjd n ALA 69 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1fjd n GLN 70 N -1.66 0.65 -0.36 0.00 0.00 -0.86 -4.09 117.38 111.06 1fjd n GLN 70 Ca 0.00 0.41 0.36 0.00 -0.00 0.00 0.00 57.00 57.77 1fjd n GLN 70 Cb 0.00 -1.70 0.74 0.00 0.00 0.00 0.00 30.24 29.28 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 -0.53 0.06 0.00 3.69 -1.99 0.34 3.20 116.97 121.75 1fjd h TYR 71 Ca -0.42 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.31 1fjd h TYR 71 Cb 1.65 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 40.36 1fjd h TYR 71 CO 0.07 -0.00 0.00 0.43 -0.00 0.00 0.00 178.16 178.66 1fjd n SER 72 N -4.20 0.14 -3.24 3.88 7.64 -1.06 -3.35 113.62 113.43 1fjd n SER 72 Ca 0.27 0.54 -0.19 0.00 1.01 0.00 0.00 58.87 60.51 1fjd n SER 72 Cb 1.29 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 63.88 1fjd n SER 72 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1fjd n GLU 73 N -1.66 -0.91 0.00 1.43 0.00 1.07 -0.70 120.64 119.86 1fjd n GLU 73 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 57.16 57.25 1fjd n GLU 73 Cb 0.16 -2.10 0.00 0.00 0.00 0.00 0.00 31.44 29.50 1fjd n GLU 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1fjd n ASP 74 N -1.09 0.00 0.00 4.31 9.92 -1.26 -4.70 116.55 123.73 1fjd n ASP 74 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.20 1fjd n ASP 74 Cb 0.29 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 1fjd n ASP 74 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1fjd n LYS 75 N 0.00 0.57 -3.64 -1.24 3.00 -1.22 -5.10 118.16 110.53 1fjd n LYS 75 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1fjd n LYS 75 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 1fjd n LYS 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fjd s ALA 76 N -2.00 -1.95 0.38 3.14 0.00 -1.06 -4.50 121.76 115.77 1fjd s ALA 76 Ca 0.00 1.89 0.11 0.00 0.00 0.00 0.00 51.96 53.96 1fjd s ALA 76 Cb 0.00 -1.40 0.76 0.00 0.00 0.00 0.00 23.12 22.48 1fjd s ALA 76 CO 0.00 -0.25 1.88 0.00 0.00 0.00 0.00 175.76 177.39 1fjd h ARG 77 N 4.26 0.14 0.00 0.00 3.08 -1.73 0.37 114.38 120.50 1fjd h ARG 77 Ca -0.28 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1fjd h ARG 77 Cb 1.17 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1fjd h ARG 77 CO 0.10 0.38 -0.07 1.04 -1.07 0.00 0.00 179.97 180.35 1fjd n GLN 78 N -4.20 0.04 0.23 0.04 3.00 -1.26 -3.25 117.38 111.98 1fjd n GLN 78 Ca -0.01 0.02 0.15 0.00 -0.01 0.00 0.00 57.00 57.14 1fjd n GLN 78 Cb 0.33 -0.35 0.82 0.00 0.00 0.00 0.00 30.24 31.03 1fjd n GLN 78 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1fjd h GLY 79 N -0.07 0.00 0.00 1.08 0.00 -1.86 -0.13 103.07 102.09 1fjd h GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1fjd h GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1fjd n GLY 80 N -1.22 -0.40 3.50 4.60 0.00 -0.72 -4.81 105.19 106.15 1fjd n GLY 80 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.11 -0.18 -0.59 1.61 -0.08 0.12 -4.35 116.55 112.97 1fjd n ASP 81 Ca 0.00 -0.12 0.48 0.00 -1.51 0.00 0.00 54.79 53.64 1fjd n ASP 81 Cb 0.07 -0.83 0.79 0.00 2.34 0.00 0.00 41.12 43.49 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 12.20 0.00 0.00 -2.67 3.38 -1.78 -3.46 115.31 122.97 1fjd h LEU 82 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1fjd h LEU 82 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1fjd h LEU 82 CO 1.45 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.59 1fjd n GLY 83 N -1.88 -2.15 3.46 0.83 0.00 -1.23 -4.89 105.19 99.33 1fjd n GLY 83 Ca 0.39 -1.67 -0.50 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.12 0.08 -3.83 1.61 7.02 -1.26 -3.86 117.44 117.09 1fjd n TRP 84 Ca 0.00 0.94 -0.12 0.00 -1.02 0.00 0.00 57.50 57.30 1fjd n TRP 84 Cb 0.00 -2.04 -0.10 0.00 -2.42 0.00 0.00 31.31 26.75 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 -0.75 0.53 0.05 -0.99 1.75 -1.03 -4.91 119.30 113.95 1fjd s MET 85 Ca 0.71 -0.26 0.03 0.00 -1.25 0.00 0.00 55.69 54.91 1fjd s MET 85 Cb -0.98 0.23 -0.03 0.00 2.84 0.00 0.00 34.83 36.89 1fjd s MET 85 CO 0.56 -0.13 -0.09 -0.08 -0.65 0.00 0.00 175.02 174.63 1fjd s THR 86 N -1.22 0.66 1.06 10.11 -1.32 -1.26 -2.38 115.64 121.28 1fjd s THR 86 Ca -0.13 -1.22 -0.18 0.00 -1.21 0.00 0.00 61.69 58.95 1fjd s THR 86 Cb -0.06 -0.82 0.04 0.00 -1.51 0.00 0.00 72.50 70.15 1fjd s THR 86 CO 0.02 -0.42 -0.13 -1.14 -2.21 0.00 0.00 174.62 170.75 1fjd n ARG 87 N 1.24 -0.97 0.00 7.08 0.63 -1.26 -3.81 116.66 119.57 1fjd n ARG 87 Ca -0.21 -0.26 0.00 0.00 -0.92 0.00 0.00 57.85 56.45 1fjd n ARG 87 Cb 0.55 -1.61 0.00 0.00 0.45 0.00 0.00 32.46 31.85 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 2.16 2.16 0.13 5.14 0.00 -1.26 -4.61 105.19 108.91 1fjd n GLY 88 Ca 0.02 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.50 1fjd n GLY 88 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1fjd h SER 89 N 0.00 0.00 0.00 1.61 0.87 -1.98 -3.45 113.55 110.60 1fjd h SER 89 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1fjd h SER 89 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1fjd h SER 89 CO 0.00 0.02 0.00 0.80 -0.53 0.00 0.00 176.83 177.12 1fjd n MET 90 N -2.54 2.53 0.00 2.24 0.00 -1.26 -5.09 117.12 113.00 1fjd n MET 90 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1fjd n MET 90 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.70 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 0.00 0.00 0.00 1.12 3.14 -1.26 -5.05 118.33 116.28 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 3.29 -0.44 0.18 7.55 0.00 -1.26 -4.38 105.19 110.13 1fjd n GLY 92 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.33 -0.88 1.61 0.10 -1.91 0.89 132.00 131.50 1fjd h PRO 93 Ca 0.00 0.02 0.23 0.00 0.10 0.00 0.00 66.00 66.35 1fjd h PRO 93 Cb 0.00 0.07 -0.15 0.00 0.10 0.00 0.00 31.00 31.03 1fjd h PRO 93 CO 0.00 -0.22 0.17 0.35 0.10 0.00 0.00 178.00 178.40 1fjd h PHE 94 N -0.34 0.23 0.05 0.65 3.04 -1.85 0.35 116.94 119.07 1fjd h PHE 94 Ca -0.02 0.05 -0.24 0.00 3.98 0.00 0.00 57.97 61.75 1fjd h PHE 94 Cb 0.29 0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.84 1fjd h PHE 94 CO -0.10 -0.25 -1.05 0.37 -2.02 0.00 0.00 178.31 175.26 1fjd h GLN 95 N 0.16 0.34 0.00 1.11 -0.00 -1.69 -2.72 115.11 112.30 1fjd h GLN 95 Ca 0.54 -0.43 -0.02 0.00 -0.00 0.00 0.00 58.65 58.74 1fjd h GLN 95 Cb 1.09 0.14 -0.00 0.00 0.00 0.00 0.00 27.48 28.70 1fjd h GLN 95 CO -0.70 1.14 -0.07 0.93 0.00 0.00 0.00 178.83 180.12 1fjd h GLU 96 N 0.16 0.00 0.00 1.69 5.08 0.21 -2.15 114.58 119.57 1fjd h GLU 96 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1fjd h GLU 96 Cb 1.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1fjd h GLU 96 CO 0.18 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.26 1fjd n ALA 97 N -2.52 0.00 0.02 3.43 0.00 0.30 -3.87 120.51 117.87 1fjd n ALA 97 Ca -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.33 1fjd n ALA 97 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.93 -1.58 0.00 0.00 -1.59 0.31 119.26 113.46 1fjd h ALA 98 Ca 0.00 -0.01 0.46 0.00 0.00 0.00 0.00 54.91 55.36 1fjd h ALA 98 Cb 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1fjd h ALA 98 CO 0.00 -0.93 1.13 0.35 0.00 0.00 0.00 179.25 179.80 1fjd h PHE 99 N -0.06 0.07 0.10 0.00 3.04 -1.57 0.13 116.94 118.66 1fjd h PHE 99 Ca -0.01 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.74 1fjd h PHE 99 Cb 0.04 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.54 1fjd h PHE 99 CO 0.20 -0.02 -1.00 0.00 -2.02 0.00 0.00 178.31 175.47 1fjd h ALA 100 N 1.24 0.05 -2.29 2.41 0.00 -1.20 -3.47 119.26 116.01 1fjd h ALA 100 Ca 0.77 -0.87 -0.49 0.00 0.00 0.00 0.00 54.91 54.33 1fjd h ALA 100 Cb 3.01 0.29 0.04 0.00 0.00 0.00 0.00 17.79 21.14 1fjd h ALA 100 CO -0.06 0.54 0.13 -0.51 0.00 0.00 0.00 179.25 179.36 1fjd s LEU 101 N -7.78 3.50 1.36 0.00 1.43 0.11 -5.05 118.68 112.24 1fjd s LEU 101 Ca -0.18 0.85 -0.21 0.00 -1.03 0.00 0.00 54.13 53.56 1fjd s LEU 101 Cb 0.02 -3.77 0.34 0.00 0.03 0.00 0.00 46.19 42.81 1fjd s LEU 101 CO 0.77 -0.74 0.98 -2.16 0.23 0.00 0.00 176.35 175.43 1fjd s PRO 102 N -4.82 -2.43 1.03 1.29 0.05 -1.26 -4.76 135.00 124.09 1fjd s PRO 102 Ca 0.50 0.11 -0.12 0.00 0.05 0.00 0.00 61.00 61.54 1fjd s PRO 102 Cb -0.10 -1.44 0.19 0.00 0.05 0.00 0.00 34.50 33.20 1fjd s PRO 102 CO 0.45 -4.54 0.99 1.33 0.05 0.00 0.00 177.00 175.28 1fjd n VAL 103 N -5.39 0.00 0.00 -0.36 0.24 -1.26 -4.71 118.33 106.85 1fjd n VAL 103 Ca 0.12 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1fjd n VAL 103 Cb 0.60 -0.95 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 1fjd n VAL 103 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1fjd n SER 104 N -4.19 0.00 0.00 -1.34 2.88 0.56 -4.61 113.62 106.92 1fjd n SER 104 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1fjd n SER 104 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1fjd n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fjd n GLY 105 N 0.00 -1.18 4.13 0.46 0.00 -1.21 -1.78 105.19 105.61 1fjd n GLY 105 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1fjd n GLY 105 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1fjd n MET 106 N -1.07 0.00 0.00 1.61 0.00 -1.26 -4.59 117.12 111.81 1fjd n MET 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1fjd n MET 106 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 33.22 32.96 1fjd n MET 106 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1fjd n ASP 107 N 0.87 0.00 -3.06 3.17 2.03 -1.26 -4.40 116.55 113.89 1fjd n ASP 107 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1fjd n ASP 107 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 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 0.00 -1.66 0.00 -0.67 3.00 -1.26 -5.00 118.16 112.56 1fjd n LYS 108 Ca 0.00 1.16 0.00 0.00 -0.00 0.00 0.00 58.31 59.47 1fjd n LYS 108 Cb 0.00 -5.58 0.00 0.00 0.00 0.00 0.00 35.03 29.45 1fjd n LYS 108 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1fjd n PRO 109 N -2.38 1.68 -3.10 1.64 -0.02 -1.26 -4.75 135.00 126.80 1fjd n PRO 109 Ca -0.03 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.27 1fjd n PRO 109 Cb 0.55 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.04 1fjd n PRO 109 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1fjd s VAL 110 N 0.00 2.91 0.00 -1.45 0.11 -1.26 -4.81 120.40 115.90 1fjd s VAL 110 Ca 0.00 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 57.99 1fjd s VAL 110 Cb 0.00 -2.97 0.00 0.00 -1.53 0.00 0.00 36.38 31.88 1fjd s VAL 110 CO 0.00 0.00 0.00 0.49 -3.33 0.00 0.00 175.10 172.26 1fjd n PHE 111 N -1.82 0.00 -0.46 1.54 3.72 -1.26 -4.20 117.46 114.98 1fjd n PHE 111 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1fjd n PHE 111 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 1fjd n PHE 111 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1fjd n THR 112 N 0.00 0.00 -3.97 4.37 5.66 -1.26 -5.07 114.28 114.02 1fjd n THR 112 Ca 0.00 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.78 1fjd n THR 112 Cb 0.00 -1.03 -0.05 0.00 -1.55 0.00 0.00 70.33 67.70 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 -1.48 4.87 0.08 1.09 1.11 -1.26 -4.68 116.67 116.39 1fjd s ASP 113 Ca 0.00 -0.72 -0.33 0.00 0.18 0.00 0.00 52.55 51.69 1fjd s ASP 113 Cb 0.00 -0.76 -0.17 0.00 1.07 0.00 0.00 42.92 43.06 1fjd s ASP 113 CO 0.00 -0.37 1.62 1.55 1.18 0.00 0.00 175.17 179.15 1fjd h PRO 114 N 1.40 -0.85 -5.15 8.23 0.13 -1.88 -3.36 132.00 130.53 1fjd h PRO 114 Ca -0.44 0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1fjd h PRO 114 Cb 1.25 0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.57 1fjd h PRO 114 CO 0.62 -0.56 0.04 -1.25 -0.23 0.00 0.00 178.00 176.61 1fjd s PRO 115 N -6.02 1.22 0.25 1.56 0.04 -1.22 -2.54 135.00 128.28 1fjd s PRO 115 Ca -0.17 -0.25 -0.11 0.00 0.04 0.00 0.00 61.00 60.51 1fjd s PRO 115 Cb 0.04 -4.94 -0.08 0.00 0.04 0.00 0.00 34.50 29.57 1fjd s PRO 115 CO 0.62 -5.35 0.58 0.14 0.04 0.00 0.00 177.00 173.03 1fjd s VAL 116 N 16.76 4.88 -0.08 -0.36 -7.23 0.34 -4.51 120.40 130.20 1fjd s VAL 116 Ca 0.84 0.57 -0.04 0.00 -1.81 0.00 0.00 61.98 61.53 1fjd s VAL 116 Cb -0.07 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 1fjd s VAL 116 CO 0.16 -0.09 0.10 -0.75 -0.31 0.00 0.00 175.10 174.22 1fjd s LYS 117 N -2.84 3.27 0.25 4.82 2.20 -1.26 -0.27 119.74 125.92 1fjd s LYS 117 Ca 0.49 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 1fjd s LYS 117 Cb -0.11 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1fjd s LYS 117 CO 0.20 0.73 0.00 0.25 -0.36 0.00 0.00 175.35 176.17 1fjd n THR 118 N 1.78 0.00 -2.37 3.43 -2.24 -1.26 -4.67 114.28 108.96 1fjd n THR 118 Ca -0.18 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.58 1fjd n THR 118 Cb 0.54 -0.40 0.05 0.00 -2.10 0.00 0.00 70.33 68.42 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 -3.33 0.66 0.04 -0.78 4.81 -1.26 -4.91 118.16 113.39 1fjd n LYS 119 Ca 0.00 -0.84 0.00 0.00 -0.87 0.00 0.00 58.31 56.60 1fjd n LYS 119 Cb 0.00 0.38 0.00 0.00 0.02 0.00 0.00 35.03 35.43 1fjd n LYS 119 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1fjd n PHE 120 N -0.76 -2.70 0.00 5.64 3.01 -1.26 -5.16 117.46 116.23 1fjd n PHE 120 Ca -0.16 0.27 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1fjd n PHE 120 Cb 0.71 1.05 0.00 0.00 -0.01 0.00 0.00 39.48 41.23 1fjd n PHE 120 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fjd n GLY 121 N -1.46 0.90 3.18 1.37 0.00 -1.26 -5.03 105.19 102.89 1fjd n GLY 121 Ca 0.00 0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 1.77 3.11 -0.08 1.61 2.02 -1.26 -4.02 117.35 120.50 1fjd s TYR 122 Ca 0.00 -1.67 -0.01 0.00 -0.37 0.00 0.00 57.07 55.02 1fjd s TYR 122 Cb 0.00 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.47 1fjd s TYR 122 CO 0.00 -0.76 -0.01 -1.01 -1.57 0.00 0.00 175.55 172.21 1fjd s HIS 123 N 1.29 3.13 -0.67 2.71 3.76 0.63 -3.36 115.29 122.79 1fjd s HIS 123 Ca -0.01 0.17 -0.21 0.00 -0.15 0.00 0.00 55.06 54.86 1fjd s HIS 123 Cb -0.17 -1.78 0.08 0.00 1.11 0.00 0.00 32.58 31.83 1fjd s HIS 123 CO -0.04 0.46 0.92 0.42 -0.85 0.00 0.00 174.74 175.64 1fjd s ILE 124 N -0.89 4.48 0.24 0.60 1.01 0.03 0.13 121.20 126.80 1fjd s ILE 124 Ca 0.13 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 60.05 1fjd s ILE 124 Cb -0.11 -4.65 -0.07 0.00 0.01 0.00 0.00 42.46 37.64 1fjd s ILE 124 CO 0.03 -1.38 0.58 -0.63 0.00 0.00 0.00 174.94 173.53 1fjd s ILE 125 N 3.61 4.88 -0.22 2.92 1.01 -1.05 -2.73 121.20 129.61 1fjd s ILE 125 Ca 0.20 0.58 -0.04 0.00 0.00 0.00 0.00 60.65 61.40 1fjd s ILE 125 Cb -0.18 -3.63 0.10 0.00 0.01 0.00 0.00 42.46 38.77 1fjd s ILE 125 CO 0.07 -0.06 0.21 -0.32 0.00 0.00 0.00 174.94 174.84 1fjd s MET 126 N -2.78 0.20 -0.03 2.79 -2.45 -0.91 -3.34 119.30 112.78 1fjd s MET 126 Ca 0.48 0.08 -0.20 0.00 -1.25 0.00 0.00 55.69 54.80 1fjd s MET 126 Cb -0.11 -1.18 -0.05 0.00 1.25 0.00 0.00 34.83 34.74 1fjd s MET 126 CO 0.20 -0.74 0.57 0.08 1.05 0.00 0.00 175.02 176.18 1fjd s VAL 127 N 2.30 4.99 -0.35 10.11 1.01 -0.73 -2.14 120.40 135.58 1fjd s VAL 127 Ca 0.07 1.17 0.03 0.00 0.00 0.00 0.00 61.98 63.25 1fjd s VAL 127 Cb -0.16 -3.90 0.16 0.00 0.00 0.00 0.00 36.38 32.48 1fjd s VAL 127 CO -0.17 0.39 0.41 -0.70 0.00 0.00 0.00 175.10 175.04 1fjd s GLU 128 N 0.02 0.60 0.00 2.72 2.56 0.54 0.21 118.70 125.34 1fjd s GLU 128 Ca 0.30 -0.55 0.00 0.00 0.00 0.00 0.00 54.97 54.72 1fjd s GLU 128 Cb -0.17 -0.54 0.00 0.00 2.00 0.00 0.00 34.13 35.42 1fjd s GLU 128 CO 0.15 -1.15 0.00 0.41 -0.56 0.00 0.00 175.26 174.11 1fjd n GLY 129 N 4.56 0.90 3.70 -1.50 0.00 -1.26 -3.05 105.19 108.53 1fjd n GLY 129 Ca 0.08 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.23 2.12 0.00 1.61 0.52 -1.25 -1.65 118.95 120.07 1fjd s ARG 130 Ca 0.00 -1.97 0.00 0.00 -0.52 0.00 0.00 55.73 53.24 1fjd s ARG 130 Cb 0.00 -1.84 0.00 0.00 0.52 0.00 0.00 34.95 33.63 1fjd s ARG 130 CO 0.00 -0.11 0.00 0.36 0.02 0.00 0.00 175.30 175.57