#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjd h SER 29 N 0.00 0.07 0.00 1.61 4.64 -2.02 -3.49 113.55 114.36 1fjd h SER 29 Ca 0.00 -0.83 0.00 0.00 -0.47 0.00 0.00 61.79 60.49 1fjd h SER 29 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1fjd h SER 29 CO 0.00 1.25 0.00 0.61 -0.87 0.00 0.00 176.83 177.82 1fjd n GLY 30 N 1.57 -0.91 3.56 -0.77 0.00 -1.26 -5.02 105.19 102.35 1fjd n GLY 30 Ca -0.19 0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1fjd n GLY 30 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fjd s PRO 31 N -0.38 1.82 -0.00 1.61 0.04 -1.26 -4.60 135.00 132.23 1fjd s PRO 31 Ca 0.00 0.59 0.02 0.00 0.04 0.00 0.00 61.00 61.65 1fjd s PRO 31 Cb 0.00 -4.76 -0.02 0.00 0.04 0.00 0.00 34.50 29.75 1fjd s PRO 31 CO 0.00 -4.08 0.07 1.17 0.04 0.00 0.00 177.00 174.20 1fjd n LYS 32 N 8.87 3.91 0.00 4.56 4.81 -1.26 -5.04 118.16 134.02 1fjd n LYS 32 Ca 0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1fjd n LYS 32 Cb 0.46 -0.77 0.00 0.00 0.02 0.00 0.00 35.03 34.74 1fjd n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1fjd n GLY 33 N 1.57 1.89 0.00 3.14 0.00 -1.26 -4.34 105.19 106.18 1fjd n GLY 33 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.36 2.67 -0.02 0.00 -1.26 -5.02 105.19 101.92 1fjd n GLY 34 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.41 0.00 -0.02 0.00 -1.26 -5.01 105.19 97.48 1fjd n GLY 35 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 1fjd n GLY 35 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1fjd n ASN 36 N 1.02 0.00 -4.55 1.61 2.85 -1.26 -4.68 115.26 110.24 1fjd n ASN 36 Ca -0.01 0.31 -0.30 0.00 -0.11 0.00 0.00 54.58 54.48 1fjd n ASN 36 Cb 0.72 -0.35 -0.10 0.00 1.24 0.00 0.00 39.78 41.29 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 -3.33 2.89 -0.01 5.20 0.00 -1.26 -3.82 121.76 121.42 1fjd s ALA 37 Ca 0.00 -1.28 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 1fjd s ALA 37 Cb 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 23.12 22.32 1fjd s ALA 37 CO 0.00 0.62 0.34 0.14 0.00 0.00 0.00 175.76 176.86 1fjd s VAL 38 N -1.21 0.05 -0.83 0.00 -7.23 -1.06 -3.64 120.40 106.49 1fjd s VAL 38 Ca 0.21 -0.45 -0.20 0.00 -1.81 0.00 0.00 61.98 59.73 1fjd s VAL 38 Cb -0.11 -0.66 0.11 0.00 0.56 0.00 0.00 36.38 36.28 1fjd s VAL 38 CO 0.13 -0.25 1.05 -0.75 -0.31 0.00 0.00 175.10 174.97 1fjd s LYS 39 N -1.39 3.42 0.15 4.82 2.36 0.40 -2.67 119.74 126.84 1fjd s LYS 39 Ca -0.13 -1.46 -0.15 0.00 -2.55 0.00 0.00 55.97 51.68 1fjd s LYS 39 Cb -0.05 -4.68 -0.07 0.00 -1.05 0.00 0.00 37.83 31.99 1fjd s LYS 39 CO 0.04 -1.77 0.56 0.14 1.55 0.00 0.00 175.35 175.88 1fjd s VAL 40 N 3.08 4.83 0.10 4.02 -7.23 -1.23 -1.31 120.40 122.65 1fjd s VAL 40 Ca 0.28 0.87 0.07 0.00 -1.81 0.00 0.00 61.98 61.40 1fjd s VAL 40 Cb -0.10 -3.75 -0.03 0.00 0.56 0.00 0.00 36.38 33.06 1fjd s VAL 40 CO -0.03 0.24 -0.19 -0.13 -0.31 0.00 0.00 175.10 174.69 1fjd s ARG 41 N -1.95 1.04 -0.10 4.82 0.52 -0.96 -2.85 118.95 119.47 1fjd s ARG 41 Ca 0.38 -1.11 0.02 0.00 -0.52 0.00 0.00 55.73 54.50 1fjd s ARG 41 Cb -0.15 -1.22 0.01 0.00 0.52 0.00 0.00 34.95 34.11 1fjd s ARG 41 CO 0.19 0.28 -0.16 -1.01 0.02 0.00 0.00 175.30 174.63 1fjd s HIS 42 N -1.24 1.95 -0.14 -0.53 3.76 -1.26 -2.50 115.29 115.33 1fjd s HIS 42 Ca 0.04 -0.88 -0.02 0.00 -0.15 0.00 0.00 55.06 54.05 1fjd s HIS 42 Cb -0.10 -1.40 0.05 0.00 1.11 0.00 0.00 32.58 32.24 1fjd s HIS 42 CO 0.04 -0.44 0.02 0.42 -0.85 0.00 0.00 174.74 173.92 1fjd s ILE 43 N 0.89 0.49 0.07 0.60 1.01 -1.08 -4.33 121.20 118.84 1fjd s ILE 43 Ca -0.09 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.35 1fjd s ILE 43 Cb -0.15 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 1fjd s ILE 43 CO 0.00 0.00 -0.17 -0.22 0.00 0.00 0.00 174.94 174.55 1fjd s LEU 44 N 1.90 2.24 -0.35 2.97 2.96 -1.22 0.26 118.68 127.43 1fjd s LEU 44 Ca 0.02 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 1fjd s LEU 44 Cb -0.15 -0.73 0.11 0.00 0.50 0.00 0.00 46.19 45.92 1fjd s LEU 44 CO -0.07 0.04 0.10 0.00 -1.32 0.00 0.00 176.35 175.10 1fjd h GLU 46 N 7.61 0.56 0.00 0.00 4.81 -1.89 0.80 114.58 126.47 1fjd h GLU 46 Ca -0.08 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1fjd h GLU 46 Cb 1.00 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1fjd h GLU 46 CO 0.51 0.37 0.00 1.63 -0.73 0.00 0.00 179.01 180.79 1fjd n LYS 47 N -4.68 0.11 -1.07 1.92 5.02 -1.26 -4.84 118.16 113.35 1fjd n LYS 47 Ca 0.23 0.28 -0.05 0.00 -2.02 0.00 0.00 58.31 56.76 1fjd n LYS 47 Cb 0.70 -1.69 -0.02 0.00 -0.02 0.00 0.00 35.03 34.00 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 -1.89 -0.02 -0.07 2.13 8.25 0.28 -4.71 115.22 119.18 1fjd n HIS 48 Ca 0.04 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.45 1fjd n HIS 48 Cb 0.25 -2.22 -0.15 0.00 1.12 0.00 0.00 29.99 29.00 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 0.62 -0.91 0.07 -1.41 0.00 -1.26 -4.40 105.19 97.89 1fjd n GLY 49 Ca -0.05 -0.34 0.01 0.00 0.00 0.00 0.00 46.02 45.64 1fjd n GLY 49 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fjd n LYS 50 N -2.57 0.66 -0.57 1.61 4.01 -1.26 -4.19 118.16 115.84 1fjd n LYS 50 Ca -0.24 -0.02 0.45 0.00 -0.51 0.00 0.00 58.31 57.99 1fjd n LYS 50 Cb 0.97 -1.60 0.75 0.00 -0.51 0.00 0.00 35.03 34.64 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 0.08 0.08 -0.18 -0.00 -1.83 2.88 117.51 118.55 1fjd h ILE 51 Ca -0.22 -0.01 -0.26 0.00 -0.00 0.00 0.00 64.86 64.37 1fjd h ILE 51 Cb 1.55 0.05 -0.01 0.00 -0.00 0.00 0.00 36.82 38.41 1fjd h ILE 51 CO 0.02 0.00 -1.34 -0.03 -0.00 0.00 0.00 178.15 176.80 1fjd h MET 52 N 0.02 0.18 -0.23 2.19 4.05 -1.84 -3.05 114.93 116.25 1fjd h MET 52 Ca 0.86 -0.30 0.07 0.00 -0.28 0.00 0.00 59.70 60.05 1fjd h MET 52 Cb 3.18 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 34.09 1fjd h MET 52 CO -0.18 1.14 0.17 0.93 0.23 0.00 0.00 176.91 179.21 1fjd h GLU 53 N -0.47 0.00 0.00 0.39 3.07 0.27 2.45 114.58 120.30 1fjd h GLU 53 Ca -0.30 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.50 1fjd h GLU 53 Cb 1.64 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.54 1fjd h GLU 53 CO -0.00 0.00 -0.25 0.00 -1.40 0.00 0.00 179.01 177.36 1fjd h ALA 54 N 1.88 1.58 0.01 3.43 0.00 0.47 1.50 119.26 128.13 1fjd h ALA 54 Ca 0.11 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1fjd h ALA 54 Cb 0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1fjd h ALA 54 CO -0.00 0.31 -0.86 1.98 0.00 0.00 0.00 179.25 180.67 1fjd h MET 55 N 0.00 0.03 0.56 0.00 1.85 0.34 -3.01 114.93 114.70 1fjd h MET 55 Ca -0.00 -0.05 -0.03 0.00 -0.61 0.00 0.00 59.70 59.01 1fjd h MET 55 Cb 0.44 0.02 0.01 0.00 0.43 0.00 0.00 31.60 32.49 1fjd h MET 55 CO 0.03 1.03 -0.27 0.93 -0.40 0.00 0.00 176.91 178.23 1fjd h GLU 56 N -0.91 -0.72 -0.02 0.39 4.39 0.29 0.27 114.58 118.26 1fjd h GLU 56 Ca -0.23 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1fjd h GLU 56 Cb 1.26 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 1fjd h GLU 56 CO -0.11 -0.47 -0.09 0.87 -1.16 0.00 0.00 179.01 178.05 1fjd h LYS 57 N -0.78 -0.09 -1.10 2.33 1.79 0.19 1.80 116.57 120.72 1fjd h LYS 57 Ca -0.08 0.01 0.31 0.00 -2.18 0.00 0.00 60.65 58.70 1fjd h LYS 57 Cb 0.59 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.19 1fjd h LYS 57 CO 0.13 -0.06 0.75 -0.07 -1.08 0.00 0.00 179.45 179.12 1fjd h LEU 58 N -0.09 0.20 0.14 2.94 3.38 -1.52 -1.72 115.31 118.64 1fjd h LEU 58 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1fjd h LEU 58 Cb 0.11 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1fjd h LEU 58 CO -0.07 0.03 -0.07 0.11 0.09 0.00 0.00 178.44 178.53 1fjd h LYS 59 N 0.17 -0.18 -0.61 1.13 1.57 0.26 -3.36 116.57 115.55 1fjd h LYS 59 Ca 0.57 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.42 1fjd h LYS 59 Cb 1.89 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 34.17 1fjd h LYS 59 CO -0.14 -0.12 -0.36 -1.13 -0.57 0.00 0.00 179.45 177.12 1fjd n SER 60 N -3.66 -0.65 0.00 0.86 3.41 0.58 -4.82 113.62 109.34 1fjd n SER 60 Ca -0.02 1.47 0.00 0.00 -0.26 0.00 0.00 58.87 60.06 1fjd n SER 60 Cb 0.07 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 -1.15 0.01 3.43 5.00 0.00 -0.70 -5.09 105.19 106.69 1fjd n GLY 61 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 0.49 -0.95 1.61 -0.00 -1.19 -4.76 117.12 112.32 1fjd n MET 62 Ca 0.00 0.18 -0.31 0.00 -0.00 0.00 0.00 57.70 57.57 1fjd n MET 62 Cb 0.00 -1.49 0.02 0.00 -0.00 0.00 0.00 33.22 31.75 1fjd n MET 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1fjd n ARG 63 N 0.56 0.00 -0.02 3.17 3.00 -1.26 -4.49 116.66 117.63 1fjd n ARG 63 Ca 0.11 0.00 -0.07 0.00 -0.01 0.00 0.00 57.85 57.88 1fjd n ARG 63 Cb 0.42 -0.83 -0.13 0.00 0.00 0.00 0.00 32.46 31.92 1fjd n ARG 63 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1fjd n PHE 64 N -1.62 0.94 0.03 -1.55 3.01 -1.26 -4.08 117.46 112.92 1fjd n PHE 64 Ca 0.03 0.34 -0.07 0.00 1.01 0.00 0.00 57.45 58.75 1fjd n PHE 64 Cb 0.42 -1.16 -0.12 0.00 -0.01 0.00 0.00 39.48 38.61 1fjd n PHE 64 CO 0.00 0.00 0.00 -2.95 1.01 0.00 0.00 176.76 174.82 1fjd h ASN 65 N 0.00 0.00 0.25 4.37 7.08 -1.91 -1.67 115.58 123.70 1fjd h ASN 65 Ca -0.28 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 52.93 1fjd h ASN 65 Cb 1.95 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.19 1fjd h ASN 65 CO 0.07 0.97 -0.12 -0.33 -2.08 0.00 0.00 177.43 175.94 1fjd h GLU 66 N 0.00 -0.33 0.08 4.14 4.39 -1.95 2.19 114.58 123.10 1fjd h GLU 66 Ca -0.14 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1fjd h GLU 66 Cb 1.86 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.58 1fjd h GLU 66 CO 0.10 0.01 -0.06 -0.24 -1.16 0.00 0.00 179.01 177.66 1fjd h VAL 67 N -0.71 0.00 -1.41 3.13 3.04 -1.71 -0.26 116.25 118.33 1fjd h VAL 67 Ca -0.03 0.00 0.42 0.00 -1.01 0.00 0.00 66.70 66.08 1fjd h VAL 67 Cb 0.48 0.00 -0.09 0.00 -2.01 0.00 0.00 31.29 29.67 1fjd h VAL 67 CO 0.06 0.00 0.97 0.00 -1.01 0.00 0.00 177.57 177.59 1fjd h ALA 68 N -1.75 3.05 -0.69 3.17 0.00 -1.33 0.56 119.26 122.26 1fjd h ALA 68 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1fjd h ALA 68 Cb 0.11 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1fjd h ALA 68 CO 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 179.25 177.69 1fjd n ALA 69 N -2.68 -0.02 -0.09 0.00 0.00 0.74 -0.76 120.51 117.69 1fjd n ALA 69 Ca 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 1fjd n ALA 69 Cb 1.46 0.42 -0.08 0.00 0.00 0.00 0.00 19.45 21.25 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 -2.49 0.52 -0.54 0.00 0.00 -0.42 -3.41 117.38 111.04 1fjd n GLN 70 Ca 0.00 0.55 0.41 0.00 -0.00 0.00 0.00 57.00 57.96 1fjd n GLN 70 Cb 0.00 -1.72 0.64 0.00 0.00 0.00 0.00 30.24 29.16 1fjd n GLN 70 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1fjd n TYR 71 N -4.50 0.14 -2.80 3.69 4.02 0.18 -0.69 117.16 117.20 1fjd n TYR 71 Ca -0.23 0.14 -0.44 0.00 -0.01 0.00 0.00 57.90 57.37 1fjd n TYR 71 Cb 0.52 -0.55 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 1fjd n TYR 71 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1fjd n SER 72 N -3.75 5.18 -3.17 7.72 2.88 0.06 -3.45 113.62 119.09 1fjd n SER 72 Ca 0.36 -3.00 -0.16 0.00 -1.33 0.00 0.00 58.87 54.73 1fjd n SER 72 Cb 1.56 -1.56 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 5.41 0.65 0.00 -1.46 4.07 0.72 -1.74 120.64 128.30 1fjd n GLU 73 Ca 0.38 -0.93 0.00 0.00 -0.06 0.00 0.00 57.16 56.55 1fjd n GLU 73 Cb 0.41 -2.27 0.00 0.00 -0.06 0.00 0.00 31.44 29.53 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 5.61 0.00 0.18 4.31 2.03 -1.26 -4.77 116.55 122.65 1fjd n ASP 74 Ca 0.23 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.67 1fjd n ASP 74 Cb 0.13 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 41.09 1fjd n ASP 74 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1fjd h LYS 75 N 0.00 0.00 0.00 -0.67 1.79 -1.75 -3.49 116.57 112.45 1fjd h LYS 75 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1fjd h LYS 75 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1fjd h LYS 75 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 1fjd n ALA 76 N -1.87 0.00 -1.04 3.86 0.00 -0.71 -3.85 120.51 116.91 1fjd n ALA 76 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.10 1fjd n ALA 76 Cb 0.25 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.75 1fjd n ALA 76 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1fjd n ARG 77 N 0.00 -0.01 0.16 0.00 0.00 -0.29 -3.85 116.66 112.66 1fjd n ARG 77 Ca 0.00 0.01 0.19 0.00 -0.00 0.00 0.00 57.85 58.05 1fjd n ARG 77 Cb 0.00 -1.29 0.74 0.00 -0.00 0.00 0.00 32.46 31.91 1fjd n ARG 77 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1fjd h GLN 78 N -0.85 0.00 -0.74 2.89 1.08 -1.75 2.42 115.11 118.17 1fjd h GLN 78 Ca -0.44 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 56.98 1fjd h GLN 78 Cb 1.33 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.73 1fjd h GLN 78 CO 0.31 0.00 0.69 0.78 -0.95 0.00 0.00 178.83 179.66 1fjd h GLY 79 N 0.00 0.00 2.00 3.46 0.00 -1.88 2.71 103.07 109.37 1fjd h GLY 79 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 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 -1.61 -0.85 2.15 4.60 0.00 0.82 -4.78 105.19 105.51 1fjd n GLY 80 Ca 0.15 0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.73 0.27 -0.39 1.61 -0.08 0.91 -4.67 116.55 112.47 1fjd n ASP 81 Ca 0.01 0.21 0.35 0.00 -1.51 0.00 0.00 54.79 53.85 1fjd n ASP 81 Cb 0.10 -0.57 0.62 0.00 2.34 0.00 0.00 41.12 43.60 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 6.94 0.29 0.00 -2.67 4.07 -1.83 -3.47 115.31 118.64 1fjd h LEU 82 Ca -0.04 0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1fjd h LEU 82 Cb 0.84 0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1fjd h LEU 82 CO 0.81 -0.30 0.00 0.61 -1.08 0.00 0.00 178.44 178.48 1fjd n GLY 83 N -1.40 -1.83 3.64 0.83 0.00 -1.22 -4.97 105.19 100.23 1fjd n GLY 83 Ca 0.38 -2.15 -0.46 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.11 1.84 -3.75 1.61 7.02 -1.26 -3.64 117.44 119.16 1fjd n TRP 84 Ca 0.00 0.52 -0.14 0.00 -1.02 0.00 0.00 57.50 56.87 1fjd n TRP 84 Cb 0.00 -2.39 -0.08 0.00 -2.42 0.00 0.00 31.31 26.41 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 -0.41 0.69 0.07 -0.99 -1.94 -1.09 -4.91 119.30 110.72 1fjd s MET 85 Ca 0.70 -0.18 0.07 0.00 -1.71 0.00 0.00 55.69 54.57 1fjd s MET 85 Cb -0.72 0.31 -0.03 0.00 2.01 0.00 0.00 34.83 36.40 1fjd s MET 85 CO 0.51 -0.19 -0.19 0.95 -0.01 0.00 0.00 175.02 176.08 1fjd s THR 86 N -1.35 1.53 -0.09 2.05 -4.23 -1.25 -2.55 115.64 109.75 1fjd s THR 86 Ca -0.13 -1.32 -0.40 0.00 -1.18 0.00 0.00 61.69 58.66 1fjd s THR 86 Cb -0.05 -1.38 -0.19 0.00 1.34 0.00 0.00 72.50 72.23 1fjd s THR 86 CO 0.04 0.02 1.28 0.54 -0.54 0.00 0.00 174.62 175.96 1fjd n ARG 87 N 1.49 0.36 0.00 3.99 5.12 -1.25 -3.62 116.66 122.75 1fjd n ARG 87 Ca -0.19 0.13 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1fjd n ARG 87 Cb 0.54 -1.68 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 1fjd n ARG 87 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1fjd n GLY 88 N 2.39 0.68 2.73 -0.13 0.00 -1.26 -5.01 105.19 104.59 1fjd n GLY 88 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.15 1fjd n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fjd n SER 89 N 0.00 -2.29 -2.75 1.61 7.64 -1.24 -5.01 113.62 111.59 1fjd n SER 89 Ca 0.00 -3.60 -0.09 0.00 1.01 0.00 0.00 58.87 56.19 1fjd n SER 89 Cb 0.00 1.89 0.08 0.00 -1.01 0.00 0.00 64.21 65.18 1fjd n SER 89 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1fjd n MET 90 N 0.36 1.11 -1.41 1.43 0.00 -1.26 -4.96 117.12 112.40 1fjd n MET 90 Ca 0.05 -2.17 0.19 0.00 0.00 0.00 0.00 57.70 55.77 1fjd n MET 90 Cb 0.70 -0.69 -0.05 0.00 0.00 0.00 0.00 33.22 33.18 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 -0.11 0.00 0.00 1.12 0.31 -1.26 -3.76 118.33 114.62 1fjd n VAL 91 Ca 0.04 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 1fjd n VAL 91 Cb 0.78 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 1fjd n VAL 91 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1fjd n GLY 92 N -4.15 -0.28 0.37 2.92 0.00 -1.26 -4.34 105.19 98.45 1fjd n GLY 92 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.18 -1.08 1.61 0.10 -1.94 -2.16 132.00 129.71 1fjd h PRO 93 Ca 0.00 -0.07 0.30 0.00 0.10 0.00 0.00 66.00 66.33 1fjd h PRO 93 Cb 0.00 -0.27 -0.11 0.00 0.10 0.00 0.00 31.00 30.72 1fjd h PRO 93 CO 0.00 0.78 0.67 0.35 0.10 0.00 0.00 178.00 179.90 1fjd h PHE 94 N 1.21 0.74 0.17 0.65 3.57 -1.81 -0.38 116.94 121.09 1fjd h PHE 94 Ca 0.35 0.03 -0.30 0.00 3.53 0.00 0.00 57.97 61.57 1fjd h PHE 94 Cb -0.08 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 38.46 1fjd h PHE 94 CO -0.00 -0.03 -1.48 1.96 -2.23 0.00 0.00 178.31 176.53 1fjd h GLN 95 N 0.35 0.36 -1.47 1.11 4.20 -1.49 -3.24 115.11 114.93 1fjd h GLN 95 Ca 0.67 -0.61 0.47 0.00 0.06 0.00 0.00 58.65 59.23 1fjd h GLN 95 Cb 1.69 0.23 -0.11 0.00 0.30 0.00 0.00 27.48 29.58 1fjd h GLN 95 CO -0.40 1.29 0.99 0.93 -0.67 0.00 0.00 178.83 180.97 1fjd h GLU 96 N -0.09 0.05 0.00 1.46 4.39 -0.71 -2.03 114.58 117.66 1fjd h GLU 96 Ca -0.29 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1fjd h GLU 96 Cb 1.94 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.58 1fjd h GLU 96 CO 0.15 0.03 0.00 0.00 -1.16 0.00 0.00 179.01 178.03 1fjd n ALA 97 N -2.63 0.00 -0.50 3.43 0.00 -1.09 -3.78 120.51 115.94 1fjd n ALA 97 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 1fjd n ALA 97 Cb 1.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 21.02 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 -1.65 0.00 -0.35 0.00 0.00 -1.20 0.19 120.51 117.50 1fjd n ALA 98 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1fjd n ALA 98 Cb 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 1fjd n ALA 98 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1fjd h PHE 99 N 0.00 -1.68 0.00 0.00 0.04 -1.60 2.04 116.94 115.74 1fjd h PHE 99 Ca 0.00 0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1fjd h PHE 99 Cb 0.00 0.84 0.00 0.00 2.20 0.00 0.00 35.95 38.99 1fjd h PHE 99 CO -0.43 -0.34 0.00 0.00 -0.60 0.00 0.00 178.31 176.93 1fjd n ALA 100 N -3.20 1.21 -2.66 2.45 0.00 -0.77 -4.62 120.51 112.92 1fjd n ALA 100 Ca 0.01 0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 1fjd n ALA 100 Cb 0.24 -1.20 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 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 -3.74 3.35 1.40 0.00 1.43 0.69 -5.00 118.68 116.81 1fjd s LEU 101 Ca 0.01 -0.26 -0.22 0.00 -1.03 0.00 0.00 54.13 52.63 1fjd s LEU 101 Cb 0.05 -2.08 0.36 0.00 0.03 0.00 0.00 46.19 44.55 1fjd s LEU 101 CO 0.16 0.16 0.94 -2.16 0.23 0.00 0.00 176.35 175.69 1fjd s PRO 102 N -2.38 -2.77 0.76 1.29 0.04 -1.26 -4.75 135.00 125.93 1fjd s PRO 102 Ca 0.25 0.16 -0.15 0.00 0.04 0.00 0.00 61.00 61.30 1fjd s PRO 102 Cb -0.11 -1.39 0.05 0.00 0.04 0.00 0.00 34.50 33.08 1fjd s PRO 102 CO 0.17 -4.77 1.20 0.28 0.04 0.00 0.00 177.00 173.91 1fjd n VAL 103 N -5.56 2.90 0.00 -0.36 0.31 -1.26 -4.80 118.33 109.56 1fjd n VAL 103 Ca 0.12 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1fjd n VAL 103 Cb 0.60 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 1fjd n VAL 103 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1fjd n SER 104 N -2.72 0.00 -0.22 4.52 3.41 0.71 -4.67 113.62 114.65 1fjd n SER 104 Ca 0.14 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.78 1fjd n SER 104 Cb 0.50 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 1fjd n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fjd n GLY 105 N 0.00 -2.73 7.00 5.00 0.00 -1.24 -3.90 105.19 109.32 1fjd n GLY 105 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.37 0.00 0.00 1.61 0.00 -1.26 -2.68 117.12 112.42 1fjd n MET 106 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.69 1fjd n MET 106 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.33 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 -2.79 0.03 -2.66 6.12 -0.08 -1.26 -3.19 116.55 112.72 1fjd n ASP 107 Ca 0.00 -0.82 -0.18 0.00 -1.51 0.00 0.00 54.79 52.28 1fjd n ASP 107 Cb 0.00 -0.01 0.01 0.00 2.34 0.00 0.00 41.12 43.46 1fjd n ASP 107 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1fjd n LYS 108 N -0.45 2.12 -0.55 -0.67 3.00 -1.09 -5.10 118.16 115.42 1fjd n LYS 108 Ca 0.00 -3.84 -0.24 0.00 -0.00 0.00 0.00 58.31 54.23 1fjd n LYS 108 Cb 0.01 -1.72 0.21 0.00 0.00 0.00 0.00 35.03 33.53 1fjd n LYS 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1fjd n PRO 109 N -0.20 -3.40 -3.01 1.64 -0.05 -1.19 -3.62 135.00 125.17 1fjd n PRO 109 Ca 0.23 -1.29 -0.18 0.00 -0.05 0.00 0.00 63.50 62.21 1fjd n PRO 109 Cb 0.72 -1.39 0.03 0.00 -0.05 0.00 0.00 33.50 32.81 1fjd n PRO 109 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1fjd s VAL 110 N -2.27 2.68 0.11 0.52 0.11 -1.26 -4.74 120.40 115.55 1fjd s VAL 110 Ca 0.55 -0.99 0.01 0.00 -2.93 0.00 0.00 61.98 58.62 1fjd s VAL 110 Cb -0.07 -2.68 0.15 0.00 -1.53 0.00 0.00 36.38 32.25 1fjd s VAL 110 CO 0.44 0.00 0.57 0.49 -3.33 0.00 0.00 175.10 173.26 1fjd n PHE 111 N -2.01 0.24 0.00 1.54 3.72 -1.26 -4.14 117.46 115.56 1fjd n PHE 111 Ca 0.11 0.43 0.00 0.00 -0.05 0.00 0.00 57.45 57.94 1fjd n PHE 111 Cb 0.60 -0.78 0.00 0.00 -0.94 0.00 0.00 39.48 38.36 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 -4.29 0.00 -4.37 4.37 5.66 -1.26 -5.07 114.28 109.32 1fjd n THR 112 Ca 0.09 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.83 1fjd n THR 112 Cb 0.29 -1.15 -0.12 0.00 -1.55 0.00 0.00 70.33 67.80 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 -1.26 3.05 0.09 1.09 1.01 -1.26 -4.95 116.67 114.44 1fjd s ASP 113 Ca 0.00 -0.81 -0.27 0.00 0.71 0.00 0.00 52.55 52.18 1fjd s ASP 113 Cb 0.00 -0.20 -0.15 0.00 1.01 0.00 0.00 42.92 43.58 1fjd s ASP 113 CO 0.00 0.08 1.67 -0.65 0.21 0.00 0.00 175.17 176.49 1fjd h PRO 114 N 3.52 -0.43 -4.98 8.23 0.11 -1.88 -3.33 132.00 133.24 1fjd h PRO 114 Ca -0.46 0.03 -0.41 0.00 0.11 0.00 0.00 66.00 65.27 1fjd h PRO 114 Cb 1.19 0.10 0.06 0.00 0.11 0.00 0.00 31.00 32.46 1fjd h PRO 114 CO 0.45 -0.29 1.18 -0.35 -0.21 0.00 0.00 178.00 178.79 1fjd n PRO 115 N -5.30 0.64 -3.36 1.05 -0.05 -1.20 -2.00 135.00 124.77 1fjd n PRO 115 Ca -0.09 -1.62 -0.32 0.00 -0.05 0.00 0.00 63.50 61.41 1fjd n PRO 115 Cb 0.22 -3.17 -0.05 0.00 -0.05 0.00 0.00 33.50 30.44 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 9.91 4.89 0.11 0.52 -7.23 0.23 -4.43 120.40 124.40 1fjd s VAL 116 Ca 0.70 0.55 -0.05 0.00 -1.81 0.00 0.00 61.98 61.36 1fjd s VAL 116 Cb 0.07 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.34 1fjd s VAL 116 CO 0.22 -0.10 0.35 -0.75 -0.31 0.00 0.00 175.10 174.52 1fjd s LYS 117 N -2.86 3.62 0.00 4.82 2.20 -1.26 0.40 119.74 126.66 1fjd s LYS 117 Ca 0.49 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 1fjd s LYS 117 Cb -0.11 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 1fjd s LYS 117 CO 0.21 0.51 0.00 0.25 -0.36 0.00 0.00 175.35 175.96 1fjd n THR 118 N 0.33 0.00 0.00 3.43 -2.24 -1.19 -4.88 114.28 109.73 1fjd n THR 118 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1fjd n THR 118 Cb 0.52 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 1fjd n THR 118 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1fjd n LYS 119 N -2.14 0.00 -0.05 -0.78 2.85 -1.26 -4.98 118.16 111.81 1fjd n LYS 119 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 1fjd n LYS 119 Cb 0.10 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.35 1fjd n LYS 119 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1fjd n PHE 120 N -0.28 0.84 -0.49 5.58 3.72 -1.26 -5.09 117.46 120.48 1fjd n PHE 120 Ca 0.00 0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1fjd n PHE 120 Cb 0.00 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.43 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 2.00 -0.74 3.72 1.37 0.00 -1.26 -5.01 105.19 105.27 1fjd n GLY 121 Ca -0.37 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.84 3.45 0.06 1.61 2.02 -1.26 -3.18 117.35 116.20 1fjd s TYR 122 Ca 0.00 0.59 0.08 0.00 -0.37 0.00 0.00 57.07 57.36 1fjd s TYR 122 Cb 0.00 -2.36 -0.03 0.00 -0.40 0.00 0.00 41.96 39.17 1fjd s TYR 122 CO 0.00 0.20 -0.21 -1.01 -1.57 0.00 0.00 175.55 172.96 1fjd s HIS 123 N 0.59 1.80 -0.47 2.71 3.76 0.16 -3.25 115.29 120.59 1fjd s HIS 123 Ca 0.17 -0.39 -0.22 0.00 -0.15 0.00 0.00 55.06 54.47 1fjd s HIS 123 Cb -0.13 -1.04 0.03 0.00 1.11 0.00 0.00 32.58 32.55 1fjd s HIS 123 CO 0.04 0.13 0.75 0.42 -0.85 0.00 0.00 174.74 175.23 1fjd s ILE 124 N -0.91 4.69 -0.01 0.60 1.01 0.73 0.75 121.20 128.05 1fjd s ILE 124 Ca 0.07 0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.73 1fjd s ILE 124 Cb -0.09 -4.32 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1fjd s ILE 124 CO 0.03 -0.75 0.56 -0.63 0.00 0.00 0.00 174.94 174.14 1fjd s ILE 125 N 3.17 4.95 -0.36 2.92 1.01 -0.85 -2.62 121.20 129.43 1fjd s ILE 125 Ca 0.26 1.16 0.01 0.00 0.00 0.00 0.00 60.65 62.08 1fjd s ILE 125 Cb -0.14 -3.89 0.11 0.00 0.01 0.00 0.00 42.46 38.55 1fjd s ILE 125 CO 0.20 0.43 0.12 -0.04 0.00 0.00 0.00 174.94 175.65 1fjd s MET 126 N -0.24 1.11 -0.46 2.79 -1.94 -1.04 -3.60 119.30 115.91 1fjd s MET 126 Ca 0.29 -1.57 -0.22 0.00 -1.71 0.00 0.00 55.69 52.48 1fjd s MET 126 Cb -0.18 -2.47 0.03 0.00 2.01 0.00 0.00 34.83 34.22 1fjd s MET 126 CO 0.16 -1.02 0.75 0.08 -0.01 0.00 0.00 175.02 174.99 1fjd s VAL 127 N 1.06 4.68 -0.30 -6.03 1.01 -1.25 -2.27 120.40 117.30 1fjd s VAL 127 Ca 0.12 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1fjd s VAL 127 Cb -0.20 -4.32 0.15 0.00 0.00 0.00 0.00 36.38 32.02 1fjd s VAL 127 CO -0.14 -0.74 0.38 -0.70 0.00 0.00 0.00 175.10 173.89 1fjd s GLU 128 N 3.19 0.41 0.00 2.72 2.12 -0.43 0.26 118.70 126.97 1fjd s GLU 128 Ca 0.27 -0.04 0.00 0.00 0.36 0.00 0.00 54.97 55.55 1fjd s GLU 128 Cb -0.13 -0.44 0.00 0.00 0.26 0.00 0.00 34.13 33.82 1fjd s GLU 128 CO 0.20 -1.05 0.00 0.41 -0.54 0.00 0.00 175.26 174.28 1fjd n GLY 129 N 5.23 0.68 0.00 -1.50 0.00 -1.26 -2.97 105.19 105.37 1fjd n GLY 129 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.36 0.00 1.61 1.85 -1.24 -0.45 116.66 121.78 1fjd n ARG 130 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1fjd n ARG 130 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 1fjd n ARG 130 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25