#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 0.34 0.00 1.61 7.64 -1.26 -5.10 113.62 116.85 1fjd n SER 29 Ca 0.00 -1.39 0.00 0.00 1.01 0.00 0.00 58.87 58.49 1fjd n SER 29 Cb 0.00 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 0.87 2.15 3.73 0.23 0.00 -1.26 -5.11 105.19 105.79 1fjd n GLY 30 Ca 0.08 -0.99 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.00 4.16 0.76 1.61 0.05 -1.26 -5.00 135.00 133.32 1fjd s PRO 31 Ca 0.00 2.51 -0.13 0.00 0.05 0.00 0.00 61.00 63.44 1fjd s PRO 31 Cb 0.00 -3.09 0.18 0.00 0.05 0.00 0.00 34.50 31.64 1fjd s PRO 31 CO 0.00 -0.67 0.81 0.36 0.05 0.00 0.00 177.00 177.54 1fjd n LYS 32 N 3.61 -1.80 -2.12 4.56 2.85 -1.26 -5.09 118.16 118.92 1fjd n LYS 32 Ca 0.14 -1.27 -0.02 0.00 -1.05 0.00 0.00 58.31 56.11 1fjd n LYS 32 Cb 0.37 -1.03 -0.00 0.00 -0.65 0.00 0.00 35.03 33.71 1fjd n LYS 32 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1fjd n GLY 33 N -1.78 4.16 1.00 2.58 0.00 -1.26 -5.02 105.19 104.86 1fjd n GLY 33 Ca 0.11 -2.22 0.08 0.00 0.00 0.00 0.00 46.02 43.99 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 4.72 1.51 0.00 -0.02 0.00 -1.26 -4.93 105.19 105.21 1fjd n GLY 34 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.20 0.90 0.02 -0.02 0.00 -1.26 -5.06 105.19 100.97 1fjd n GLY 35 Ca 0.17 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1fjd n GLY 35 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1fjd n ASN 36 N 0.00 3.48 -3.78 1.61 0.23 -1.26 -4.58 115.26 110.96 1fjd n ASN 36 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.92 1fjd n ASN 36 Cb 0.00 0.97 -0.10 0.00 -2.08 0.00 0.00 39.78 38.56 1fjd n ASN 36 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1fjd s ALA 37 N -2.30 -0.68 -0.01 -2.53 0.00 -1.25 -3.53 121.76 111.46 1fjd s ALA 37 Ca -0.03 0.54 -0.16 0.00 0.00 0.00 0.00 51.96 52.32 1fjd s ALA 37 Cb 0.03 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.94 1fjd s ALA 37 CO 0.26 -0.18 0.33 0.14 0.00 0.00 0.00 175.76 176.31 1fjd s VAL 38 N -0.48 0.06 -0.91 0.00 -7.23 -1.03 -3.40 120.40 107.40 1fjd s VAL 38 Ca -0.06 -0.46 -0.18 0.00 -1.81 0.00 0.00 61.98 59.48 1fjd s VAL 38 Cb -0.04 -0.64 0.15 0.00 0.56 0.00 0.00 36.38 36.41 1fjd s VAL 38 CO 0.02 -0.25 1.07 -0.75 -0.31 0.00 0.00 175.10 174.87 1fjd s LYS 39 N -1.36 3.60 0.14 4.82 2.36 -1.14 -2.65 119.74 125.50 1fjd s LYS 39 Ca -0.13 -1.89 -0.04 0.00 -2.55 0.00 0.00 55.97 51.36 1fjd s LYS 39 Cb -0.05 -4.84 -0.05 0.00 -1.05 0.00 0.00 37.83 31.84 1fjd s LYS 39 CO 0.04 -1.69 0.36 0.54 1.55 0.00 0.00 175.35 176.15 1fjd s VAL 40 N 2.25 5.19 0.07 4.02 0.11 -1.26 0.29 120.40 131.08 1fjd s VAL 40 Ca 0.30 -0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.37 1fjd s VAL 40 Cb -0.06 -3.63 -0.03 0.00 -1.53 0.00 0.00 36.38 31.14 1fjd s VAL 40 CO -0.09 0.04 -0.14 -0.13 -3.33 0.00 0.00 175.10 171.45 1fjd s ARG 41 N -2.66 0.81 -0.05 1.54 1.81 -0.50 -2.80 118.95 117.08 1fjd s ARG 41 Ca 0.40 -0.95 0.01 0.00 -1.72 0.00 0.00 55.73 53.47 1fjd s ARG 41 Cb -0.12 -0.79 0.02 0.00 -0.45 0.00 0.00 34.95 33.61 1fjd s ARG 41 CO 0.25 0.17 -0.06 -3.38 -0.68 0.00 0.00 175.30 171.60 1fjd s HIS 42 N -1.33 0.93 -0.09 -0.53 -3.43 0.80 -1.69 115.29 109.96 1fjd s HIS 42 Ca -0.02 -0.30 0.03 0.00 -0.80 0.00 0.00 55.06 53.97 1fjd s HIS 42 Cb -0.10 -0.79 0.00 0.00 -1.43 0.00 0.00 32.58 30.27 1fjd s HIS 42 CO 0.02 -0.23 -0.20 0.42 -2.00 0.00 0.00 174.74 172.75 1fjd s ILE 43 N 0.95 1.77 -0.16 -5.38 1.01 -1.08 -3.18 121.20 115.13 1fjd s ILE 43 Ca -0.10 -0.85 -0.00 0.00 0.00 0.00 0.00 60.65 59.70 1fjd s ILE 43 Cb -0.14 -1.54 0.04 0.00 0.01 0.00 0.00 42.46 40.82 1fjd s ILE 43 CO 0.00 0.49 -0.06 -0.22 0.00 0.00 0.00 174.94 175.16 1fjd s LEU 44 N 0.45 1.60 -0.15 2.97 2.96 -1.26 0.15 118.68 125.40 1fjd s LEU 44 Ca -0.18 -0.64 -0.25 0.00 -0.22 0.00 0.00 54.13 52.85 1fjd s LEU 44 Cb -0.17 -0.92 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 1fjd s LEU 44 CO 0.07 -0.18 0.80 0.00 -1.32 0.00 0.00 176.35 175.73 1fjd h GLU 46 N 7.24 1.11 -0.02 0.00 4.81 -1.83 -3.08 114.58 122.82 1fjd h GLU 46 Ca -0.32 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 1fjd h GLU 46 Cb 1.14 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1fjd h GLU 46 CO 0.82 1.01 -0.05 1.63 -0.73 0.00 0.00 179.01 181.68 1fjd n LYS 47 N -4.23 1.35 -1.14 1.92 5.02 -1.26 -4.92 118.16 114.90 1fjd n LYS 47 Ca 0.04 -1.36 -0.05 0.00 -2.02 0.00 0.00 58.31 54.92 1fjd n LYS 47 Cb 0.29 -1.30 -0.02 0.00 -0.02 0.00 0.00 35.03 33.97 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 0.75 0.00 0.80 2.13 8.25 -1.16 -4.78 115.22 121.20 1fjd n HIS 48 Ca 0.09 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.67 1fjd n HIS 48 Cb 0.40 -2.21 0.51 0.00 1.12 0.00 0.00 29.99 29.81 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 0.36 -1.43 0.00 -1.41 0.00 -1.26 -3.42 105.19 98.03 1fjd n GLY 49 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.69 3.24 -0.15 1.61 0.00 -1.26 -4.56 118.16 115.35 1fjd n LYS 50 Ca 0.06 -0.12 0.22 0.00 -0.00 0.00 0.00 58.31 58.47 1fjd n LYS 50 Cb 0.32 -0.53 0.63 0.00 -0.00 0.00 0.00 35.03 35.45 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 0.09 0.66 0.03 0.58 6.09 -1.82 2.12 117.51 125.26 1fjd h ILE 51 Ca 0.00 -0.06 -0.29 0.00 -1.37 0.00 0.00 64.86 63.15 1fjd h ILE 51 Cb 0.04 0.48 -0.04 0.00 0.47 0.00 0.00 36.82 37.78 1fjd h ILE 51 CO 0.00 0.03 -1.60 0.24 -3.07 0.00 0.00 178.15 173.75 1fjd h MET 52 N 0.16 0.07 0.00 2.19 0.00 -1.83 -1.63 114.93 113.89 1fjd h MET 52 Ca 0.39 -0.11 -0.06 0.00 0.00 0.00 0.00 59.70 59.92 1fjd h MET 52 Cb 1.28 0.04 -0.01 0.00 0.00 0.00 0.00 31.60 32.92 1fjd h MET 52 CO -0.07 0.74 -0.27 1.49 0.00 0.00 0.00 176.91 178.80 1fjd h GLU 53 N 0.02 0.00 -0.08 1.72 4.81 -0.72 1.33 114.58 121.65 1fjd h GLU 53 Ca -0.25 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.81 1fjd h GLU 53 Cb 1.98 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.35 1fjd h GLU 53 CO 0.10 0.27 -0.66 0.00 -0.73 0.00 0.00 179.01 177.99 1fjd h ALA 54 N 1.73 0.72 -0.17 2.92 0.00 0.33 0.37 119.26 125.16 1fjd h ALA 54 Ca -0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 1fjd h ALA 54 Cb 0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1fjd h ALA 54 CO 0.04 0.75 -0.62 0.52 0.00 0.00 0.00 179.25 179.94 1fjd h MET 55 N 0.23 0.58 0.03 0.00 2.86 0.52 -2.53 114.93 116.62 1fjd h MET 55 Ca -0.02 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.22 1fjd h MET 55 Cb 1.20 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.92 1fjd h MET 55 CO 0.11 1.02 -0.01 0.93 1.06 0.00 0.00 176.91 180.01 1fjd h GLU 56 N 0.43 -0.03 -0.95 1.72 5.08 0.18 -2.14 114.58 118.86 1fjd h GLU 56 Ca -0.01 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.54 1fjd h GLU 56 Cb 1.18 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.26 1fjd h GLU 56 CO 0.12 -0.02 -0.25 0.87 -1.00 0.00 0.00 179.01 178.72 1fjd h LYS 57 N -0.20 -0.00 -0.61 2.33 1.57 -0.42 1.99 116.57 121.23 1fjd h LYS 57 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1fjd h LYS 57 Cb 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1fjd h LYS 57 CO 0.01 -0.00 0.16 -0.07 -0.57 0.00 0.00 179.45 178.97 1fjd h LEU 58 N -0.00 0.91 0.00 2.94 3.38 -1.59 1.12 115.31 122.07 1fjd h LEU 58 Ca 0.45 -0.23 -0.25 0.00 0.09 0.00 0.00 57.88 57.95 1fjd h LEU 58 Cb 0.69 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1fjd h LEU 58 CO -0.98 0.90 -1.34 0.07 0.09 0.00 0.00 178.44 177.18 1fjd h LYS 59 N 0.88 0.00 0.26 1.13 2.10 0.18 -3.38 116.57 117.75 1fjd h LYS 59 Ca 0.19 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.83 1fjd h LYS 59 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1fjd h LYS 59 CO -0.00 0.72 -0.13 0.77 -2.00 0.00 0.00 179.45 178.82 1fjd h SER 60 N 0.00 -0.30 0.00 7.07 0.02 0.30 -3.48 113.55 117.16 1fjd h SER 60 Ca -0.15 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1fjd h SER 60 Cb 1.87 0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.49 1fjd h SER 60 CO 0.10 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.60 1fjd n GLY 61 N 0.59 0.00 3.97 -3.77 0.00 -0.61 -5.06 105.19 100.31 1fjd n GLY 61 Ca -0.07 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 1fjd n GLY 61 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1fjd s MET 62 N 0.00 2.54 0.39 1.61 -1.94 0.38 -5.01 119.30 117.26 1fjd s MET 62 Ca 0.00 -1.53 -0.22 0.00 -1.71 0.00 0.00 55.69 52.23 1fjd s MET 62 Cb 0.00 -2.54 -0.15 0.00 2.01 0.00 0.00 34.83 34.15 1fjd s MET 62 CO 0.00 -0.45 0.24 0.54 -0.01 0.00 0.00 175.02 175.34 1fjd n ARG 63 N -1.86 0.14 -0.01 2.03 1.74 -1.26 -4.52 116.66 112.92 1fjd n ARG 63 Ca 0.08 0.05 -0.19 0.00 -0.77 0.00 0.00 57.85 57.01 1fjd n ARG 63 Cb 0.61 -1.12 -0.14 0.00 -1.02 0.00 0.00 32.46 30.79 1fjd n ARG 63 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1fjd n PHE 64 N -0.90 1.12 -0.00 -1.55 3.72 -1.26 -4.21 117.46 114.37 1fjd n PHE 64 Ca 0.12 0.26 -0.20 0.00 -0.05 0.00 0.00 57.45 57.58 1fjd n PHE 64 Cb 0.39 -1.15 -0.14 0.00 -0.94 0.00 0.00 39.48 37.63 1fjd n PHE 64 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1fjd n ASN 65 N -3.39 1.98 -0.06 4.37 0.23 -0.97 -3.14 115.26 114.27 1fjd n ASN 65 Ca -0.31 0.22 -0.09 0.00 -0.53 0.00 0.00 54.58 53.88 1fjd n ASN 65 Cb 1.05 -0.76 -0.03 0.00 -2.08 0.00 0.00 39.78 37.96 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 0.06 -0.30 0.00 -3.83 4.39 -1.85 2.38 114.58 115.43 1fjd h GLU 66 Ca -0.41 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1fjd h GLU 66 Cb 2.03 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.75 1fjd h GLU 66 CO 0.08 -0.20 0.00 1.33 -1.16 0.00 0.00 179.01 179.07 1fjd n VAL 67 N -5.41 0.00 -0.29 3.13 0.24 -1.26 -0.84 118.33 113.90 1fjd n VAL 67 Ca -0.01 1.17 0.26 0.00 -2.04 0.00 0.00 64.34 63.72 1fjd n VAL 67 Cb 0.33 -1.93 0.46 0.00 -1.47 0.00 0.00 33.84 31.22 1fjd n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fjd n ALA 68 N -1.31 0.88 -0.64 2.33 0.00 -0.87 0.22 120.51 121.12 1fjd n ALA 68 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 53.44 54.11 1fjd n ALA 68 Cb 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1fjd n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjd n ALA 69 N -2.52 -0.06 -0.03 0.00 0.00 0.80 -1.86 120.51 116.83 1fjd n ALA 69 Ca 0.28 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.60 1fjd n ALA 69 Cb 1.04 0.22 -0.14 0.00 0.00 0.00 0.00 19.45 20.56 1fjd n ALA 69 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1fjd n GLN 70 N -1.48 0.67 -0.33 0.00 1.13 0.44 -3.77 117.38 114.04 1fjd n GLN 70 Ca 0.00 0.24 0.36 0.00 -1.94 0.00 0.00 57.00 55.66 1fjd n GLN 70 Cb 0.00 -1.73 0.75 0.00 0.11 0.00 0.00 30.24 29.37 1fjd n GLN 70 CO 0.00 0.00 0.00 1.88 -1.44 0.00 0.00 177.06 177.50 1fjd h TYR 71 N 0.02 0.00 -0.01 1.08 -1.99 0.25 -3.34 116.97 112.98 1fjd h TYR 71 Ca -0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.36 1fjd h TYR 71 Cb 2.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.77 1fjd h TYR 71 CO 0.02 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.05 1fjd n SER 72 N -4.09 0.00 0.00 3.88 3.41 -0.78 -2.87 113.62 113.17 1fjd n SER 72 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1fjd n SER 72 Cb 1.30 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.25 1fjd n SER 72 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1fjd n GLU 73 N 0.00 -0.16 0.00 4.33 4.07 0.34 -4.10 120.64 125.12 1fjd n GLU 73 Ca 0.00 -0.11 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 1fjd n GLU 73 Cb 0.00 -0.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.79 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 -0.00 0.00 -4.70 4.31 2.03 -1.26 -5.04 116.55 111.88 1fjd n ASP 74 Ca 0.00 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.98 1fjd n ASP 74 Cb 0.21 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 40.74 1fjd n ASP 74 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1fjd s LYS 75 N 0.00 1.62 0.00 -0.67 2.36 -1.26 -4.94 119.74 116.85 1fjd s LYS 75 Ca 0.00 1.67 0.00 0.00 -2.55 0.00 0.00 55.97 55.09 1fjd s LYS 75 Cb 0.00 -1.78 0.00 0.00 -1.05 0.00 0.00 37.83 35.00 1fjd s LYS 75 CO 0.00 -2.21 0.00 0.00 1.55 0.00 0.00 175.35 174.69 1fjd n ALA 76 N -3.42 0.00 -2.81 3.13 0.00 -1.26 -4.58 120.51 111.57 1fjd n ALA 76 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.54 1fjd n ALA 76 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 1fjd n ALA 76 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1fjd n ARG 77 N 0.00 -3.14 0.00 0.00 3.00 -1.26 0.24 116.66 115.50 1fjd n ARG 77 Ca 0.00 2.51 0.00 0.00 -0.00 0.00 0.00 57.85 60.36 1fjd n ARG 77 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 32.46 28.92 1fjd n ARG 77 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1fjd n GLN 78 N 1.78 0.00 -2.68 -0.14 0.00 -1.26 -2.44 117.38 112.64 1fjd n GLN 78 Ca -0.21 0.00 -0.05 0.00 -0.00 0.00 0.00 57.00 56.74 1fjd n GLN 78 Cb 0.37 0.00 0.10 0.00 0.00 0.00 0.00 30.24 30.71 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 -1.04 3.62 1.69 0.00 -1.18 -2.29 105.19 105.98 1fjd n GLY 79 Ca 0.00 0.68 -0.24 0.00 0.00 0.00 0.00 46.02 46.47 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 0.63 -0.50 3.51 -0.02 0.00 0.67 0.28 105.19 109.75 1fjd n GLY 80 Ca -0.02 0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1fjd n GLY 80 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fjd n ASP 81 N -3.01 1.19 -0.23 1.61 5.75 -1.16 -0.90 116.55 119.81 1fjd n ASP 81 Ca -0.04 -2.51 0.32 0.00 -0.01 0.00 0.00 54.79 52.55 1fjd n ASP 81 Cb 0.58 -0.88 0.71 0.00 -1.03 0.00 0.00 41.12 40.49 1fjd n ASP 81 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1fjd h LEU 82 N 19.07 0.00 0.00 -2.12 4.07 -1.82 -3.47 115.31 131.04 1fjd h LEU 82 Ca 0.20 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1fjd h LEU 82 Cb 0.78 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.52 1fjd h LEU 82 CO 1.75 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 179.72 1fjd n GLY 83 N -1.70 1.45 3.49 0.83 0.00 -1.24 -4.98 105.19 103.03 1fjd n GLY 83 Ca 0.22 -2.07 -0.48 0.00 0.00 0.00 0.00 46.02 43.69 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 0.81 0.42 -3.88 1.61 7.02 -1.26 -4.25 117.44 117.91 1fjd n TRP 84 Ca 0.00 0.85 -0.11 0.00 -1.02 0.00 0.00 57.50 57.22 1fjd n TRP 84 Cb 0.00 -2.11 -0.10 0.00 -2.42 0.00 0.00 31.31 26.68 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 -1.04 0.45 0.14 -0.99 -1.94 -1.09 -4.90 119.30 109.94 1fjd s MET 85 Ca 0.65 -0.42 0.11 0.00 -1.71 0.00 0.00 55.69 54.32 1fjd s MET 85 Cb -0.86 0.19 -0.04 0.00 2.01 0.00 0.00 34.83 36.12 1fjd s MET 85 CO 0.57 -0.10 -0.25 -0.08 -0.01 0.00 0.00 175.02 175.14 1fjd s THR 86 N -1.37 2.22 -0.02 2.05 -1.32 -1.23 -2.45 115.64 113.52 1fjd s THR 86 Ca -0.15 -1.81 0.23 0.00 -1.21 0.00 0.00 61.69 58.75 1fjd s THR 86 Cb -0.08 -1.99 0.23 0.00 -1.51 0.00 0.00 72.50 69.15 1fjd s THR 86 CO 0.01 0.01 1.67 -0.09 -2.21 0.00 0.00 174.62 174.02 1fjd h ARG 87 N 3.71 0.00 0.00 7.08 2.43 -1.81 0.41 114.38 126.20 1fjd h ARG 87 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1fjd h ARG 87 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1fjd h ARG 87 CO 0.42 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.29 1fjd n GLY 88 N -1.27 -1.27 2.67 2.80 0.00 -1.26 -3.94 105.19 102.93 1fjd n GLY 88 Ca -0.02 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.28 -2.07 -2.73 1.61 2.88 0.13 -4.98 113.62 106.17 1fjd n SER 89 Ca 0.02 -3.59 -0.03 0.00 -1.33 0.00 0.00 58.87 53.94 1fjd n SER 89 Cb 0.22 1.66 0.05 0.00 -0.75 0.00 0.00 64.21 65.39 1fjd n SER 89 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1fjd n MET 90 N 0.49 1.94 -1.43 -1.46 2.00 -1.17 -4.69 117.12 112.79 1fjd n MET 90 Ca 0.08 -3.58 0.18 0.00 0.00 0.00 0.00 57.70 54.38 1fjd n MET 90 Cb 0.69 -1.68 -0.07 0.00 0.00 0.00 0.00 33.22 32.16 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 -0.61 -0.05 -0.02 2.03 0.31 -1.26 -2.30 118.33 116.43 1fjd n VAL 91 Ca 0.11 0.50 -0.01 0.00 -0.01 0.00 0.00 64.34 64.94 1fjd n VAL 91 Cb 0.82 -0.98 -0.00 0.00 -0.91 0.00 0.00 33.84 32.77 1fjd n VAL 91 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1fjd h GLY 92 N -1.40 0.00 1.00 2.92 0.00 -1.98 -3.27 103.07 100.34 1fjd h GLY 92 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1fjd h GLY 92 CO 0.05 0.00 0.36 -2.55 0.00 0.00 0.00 176.54 174.39 1fjd h PRO 93 N -0.29 0.83 -0.59 4.80 0.10 -1.96 0.91 132.00 135.80 1fjd h PRO 93 Ca 0.00 -0.08 0.08 0.00 0.10 0.00 0.00 66.00 66.10 1fjd h PRO 93 Cb 0.07 -0.17 -0.07 0.00 0.10 0.00 0.00 31.00 30.94 1fjd h PRO 93 CO 0.00 0.60 0.23 0.35 0.10 0.00 0.00 178.00 179.29 1fjd h PHE 94 N 0.82 0.41 0.19 0.65 3.57 -1.77 -2.72 116.94 118.08 1fjd h PHE 94 Ca 0.22 0.03 -0.33 0.00 3.53 0.00 0.00 57.97 61.41 1fjd h PHE 94 Cb -0.00 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 38.66 1fjd h PHE 94 CO -0.02 0.13 -1.61 -0.56 -2.23 0.00 0.00 178.31 174.02 1fjd h GLN 95 N 0.43 0.40 -1.33 1.11 3.07 -1.16 -3.29 115.11 114.35 1fjd h GLN 95 Ca 0.29 -0.68 0.40 0.00 0.09 0.00 0.00 58.65 58.75 1fjd h GLN 95 Cb 0.32 0.25 -0.10 0.00 0.08 0.00 0.00 27.48 28.04 1fjd h GLN 95 CO -0.27 1.33 0.89 0.93 0.09 0.00 0.00 178.83 181.79 1fjd h GLU 96 N 0.03 0.12 0.00 0.06 4.39 0.11 -1.80 114.58 117.49 1fjd h GLU 96 Ca -0.31 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1fjd h GLU 96 Cb 2.04 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 1fjd h GLU 96 CO 0.18 0.08 0.00 0.00 -1.16 0.00 0.00 179.01 178.11 1fjd n ALA 97 N -2.61 0.00 -0.03 3.43 0.00 -1.04 -3.34 120.51 116.92 1fjd n ALA 97 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1fjd n ALA 97 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.81 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 -0.80 0.00 -0.34 0.00 0.00 -1.17 0.14 120.51 118.34 1fjd n ALA 98 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1fjd n ALA 98 Cb 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 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 -1.35 0.00 0.00 0.04 -1.57 1.73 116.94 115.80 1fjd h PHE 99 Ca 0.00 0.10 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1fjd h PHE 99 Cb 0.00 0.71 0.00 0.00 2.20 0.00 0.00 35.95 38.86 1fjd h PHE 99 CO -0.83 -0.40 0.00 0.00 -0.60 0.00 0.00 178.31 176.48 1fjd n ALA 100 N -3.31 1.51 -2.66 2.45 0.00 -0.19 -4.71 120.51 113.59 1fjd n ALA 100 Ca 0.05 0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.38 1fjd n ALA 100 Cb 0.35 -1.37 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 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 -4.47 3.45 1.15 0.00 1.43 0.59 -5.04 118.68 115.79 1fjd s LEU 101 Ca 0.03 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.46 1fjd s LEU 101 Cb 0.08 -1.98 0.27 0.00 0.03 0.00 0.00 46.19 44.60 1fjd s LEU 101 CO 0.34 -0.12 1.04 -2.16 0.23 0.00 0.00 176.35 175.69 1fjd s PRO 102 N -3.80 -0.79 -0.11 1.29 0.05 -1.26 -4.76 135.00 125.62 1fjd s PRO 102 Ca 0.34 0.68 -0.09 0.00 0.05 0.00 0.00 61.00 61.98 1fjd s PRO 102 Cb -0.06 -1.58 -0.04 0.00 0.05 0.00 0.00 34.50 32.86 1fjd s PRO 102 CO 0.23 -3.59 0.20 0.54 0.05 0.00 0.00 177.00 174.42 1fjd s VAL 103 N -2.59 5.40 0.00 -0.36 0.11 -1.26 -4.73 120.40 116.97 1fjd s VAL 103 Ca 0.68 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 60.07 1fjd s VAL 103 Cb -0.23 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 1fjd s VAL 103 CO 0.63 0.57 0.00 -1.20 -3.33 0.00 0.00 175.10 171.76 1fjd n SER 104 N 2.31 0.00 -0.24 3.54 7.64 0.80 -4.86 113.62 122.81 1fjd n SER 104 Ca -0.18 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.72 1fjd n SER 104 Cb 0.54 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.26 4.47 0.23 0.00 -1.26 -4.67 105.19 103.70 1fjd n GLY 105 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.71 0.00 -0.74 1.61 0.00 -1.26 -4.27 117.12 111.75 1fjd n MET 106 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.70 57.64 1fjd n MET 106 Cb 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 33.22 33.18 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 5.70 5.11 -3.94 6.12 2.03 -1.26 -4.71 116.55 125.60 1fjd n ASP 107 Ca 0.00 -2.41 -0.26 0.00 0.52 0.00 0.00 54.79 52.64 1fjd n ASP 107 Cb 0.00 -1.24 -0.01 0.00 -0.72 0.00 0.00 41.12 39.15 1fjd n ASP 107 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1fjd n LYS 108 N 2.05 -3.80 0.21 -0.67 4.81 -1.26 -4.88 118.16 114.62 1fjd n LYS 108 Ca 0.22 0.46 -0.15 0.00 -0.87 0.00 0.00 58.31 57.97 1fjd n LYS 108 Cb 0.70 -4.82 -0.08 0.00 0.02 0.00 0.00 35.03 30.85 1fjd n LYS 108 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1fjd h PRO 109 N -1.82 -0.49 -5.57 1.64 0.13 -1.84 -3.45 132.00 120.59 1fjd h PRO 109 Ca -0.62 0.03 -0.23 0.00 -0.87 0.00 0.00 66.00 64.32 1fjd h PRO 109 Cb 1.37 0.11 0.12 0.00 0.13 0.00 0.00 31.00 32.74 1fjd h PRO 109 CO 0.64 -0.25 -1.11 1.33 -0.23 0.00 0.00 178.00 178.38 1fjd n VAL 110 N -5.25 0.00 0.13 1.56 0.24 -1.26 -4.83 118.33 108.91 1fjd n VAL 110 Ca -0.11 -0.02 0.01 0.00 -2.04 0.00 0.00 64.34 62.19 1fjd n VAL 110 Cb 0.25 -0.09 0.05 0.00 -1.47 0.00 0.00 33.84 32.59 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 -1.71 0.00 -1.06 6.34 -1.00 -1.94 -3.45 116.94 114.12 1fjd h PHE 111 Ca -0.20 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.58 1fjd h PHE 111 Cb 0.68 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.24 1fjd h PHE 111 CO -1.73 0.58 0.00 -2.37 -1.61 0.00 0.00 178.31 173.19 1fjd n THR 112 N -3.31 0.00 -5.20 -1.55 5.66 -1.26 -5.09 114.28 103.53 1fjd n THR 112 Ca 0.01 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.71 1fjd n THR 112 Cb 0.74 -1.07 -0.16 0.00 -1.55 0.00 0.00 70.33 68.29 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 2.84 0.09 1.09 1.11 -1.26 -4.86 116.67 114.68 1fjd s ASP 113 Ca 0.00 -0.45 -0.35 0.00 0.18 0.00 0.00 52.55 51.93 1fjd s ASP 113 Cb 0.00 -0.44 -0.16 0.00 1.07 0.00 0.00 42.92 43.39 1fjd s ASP 113 CO 0.00 0.28 1.57 1.55 1.18 0.00 0.00 175.17 179.75 1fjd h PRO 114 N 5.69 -0.91 -5.02 8.23 0.13 -1.89 -3.31 132.00 134.92 1fjd h PRO 114 Ca -0.39 0.06 -0.37 0.00 -0.87 0.00 0.00 66.00 64.43 1fjd h PRO 114 Cb 1.14 0.21 0.09 0.00 0.13 0.00 0.00 31.00 32.57 1fjd h PRO 114 CO 0.47 -0.61 0.94 -0.35 -0.23 0.00 0.00 178.00 178.22 1fjd n PRO 115 N -5.55 0.02 -3.34 1.56 -0.04 -1.19 -2.91 135.00 123.56 1fjd n PRO 115 Ca -0.11 -1.07 -0.35 0.00 -0.04 0.00 0.00 63.50 61.92 1fjd n PRO 115 Cb 0.45 -2.70 -0.06 0.00 -0.04 0.00 0.00 33.50 31.15 1fjd n PRO 115 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1fjd s VAL 116 N 9.16 4.83 -0.05 0.52 -7.23 0.24 -4.24 120.40 123.63 1fjd s VAL 116 Ca 0.65 0.87 -0.07 0.00 -1.81 0.00 0.00 61.98 61.62 1fjd s VAL 116 Cb 0.08 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 1fjd s VAL 116 CO 0.27 0.25 0.21 -0.75 -0.31 0.00 0.00 175.10 174.77 1fjd s LYS 117 N -1.94 3.53 0.00 4.82 2.20 -1.25 -0.22 119.74 126.87 1fjd s LYS 117 Ca 0.38 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1fjd s LYS 117 Cb -0.15 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.03 1fjd s LYS 117 CO 0.19 0.71 0.00 -2.37 -0.36 0.00 0.00 175.35 173.53 1fjd n THR 118 N 1.52 0.00 0.04 3.43 5.66 -1.25 -4.99 114.28 118.70 1fjd n THR 118 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1fjd n THR 118 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 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 0.00 0.00 -0.89 1.09 4.81 -1.26 -4.93 118.16 116.98 1fjd n LYS 119 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1fjd n LYS 119 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1fjd n LYS 119 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1fjd n PHE 120 N -2.43 0.00 0.00 5.64 -0.00 -1.26 -5.13 117.46 114.28 1fjd n PHE 120 Ca 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 57.45 57.15 1fjd n PHE 120 Cb 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 39.48 39.73 1fjd n PHE 120 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1fjd n GLY 121 N 0.09 -0.19 3.70 7.13 0.00 -1.26 -4.98 105.19 109.67 1fjd n GLY 121 Ca -0.11 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.00 3.21 -0.01 1.61 1.51 -1.26 -3.79 117.35 114.62 1fjd s TYR 122 Ca 0.00 0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.29 1fjd s TYR 122 Cb 0.00 -1.82 -0.00 0.00 -0.11 0.00 0.00 41.96 40.02 1fjd s TYR 122 CO 0.00 0.47 -0.06 -1.01 -1.11 0.00 0.00 175.55 173.84 1fjd s HIS 123 N -0.81 0.59 -0.59 2.71 3.76 0.69 -2.62 115.29 119.01 1fjd s HIS 123 Ca 0.12 -0.11 -0.22 0.00 -0.15 0.00 0.00 55.06 54.70 1fjd s HIS 123 Cb -0.12 -0.39 0.06 0.00 1.11 0.00 0.00 32.58 33.24 1fjd s HIS 123 CO 0.02 -0.02 0.86 0.42 -0.85 0.00 0.00 174.74 175.17 1fjd s ILE 124 N -0.05 4.51 -0.15 0.60 1.01 0.41 0.82 121.20 128.34 1fjd s ILE 124 Ca 0.01 -0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.18 1fjd s ILE 124 Cb -0.04 -4.54 -0.03 0.00 0.01 0.00 0.00 42.46 37.86 1fjd s ILE 124 CO -0.00 -1.19 0.57 -0.63 0.00 0.00 0.00 174.94 173.69 1fjd s ILE 125 N 3.58 5.10 -0.32 2.92 1.01 -1.14 -2.62 121.20 129.72 1fjd s ILE 125 Ca 0.22 1.12 0.03 0.00 0.00 0.00 0.00 60.65 62.01 1fjd s ILE 125 Cb -0.17 -3.90 0.09 0.00 0.01 0.00 0.00 42.46 38.49 1fjd s ILE 125 CO 0.13 0.22 0.04 -0.32 0.00 0.00 0.00 174.94 175.01 1fjd s MET 126 N 1.21 1.39 -0.23 2.79 -2.45 -0.68 -4.44 119.30 116.89 1fjd s MET 126 Ca 0.29 -1.59 -0.21 0.00 -1.25 0.00 0.00 55.69 52.93 1fjd s MET 126 Cb -0.16 -2.87 -0.02 0.00 1.25 0.00 0.00 34.83 33.03 1fjd s MET 126 CO 0.12 -0.89 0.63 0.08 1.05 0.00 0.00 175.02 176.01 1fjd s VAL 127 N 1.11 5.00 -0.25 10.11 1.01 -1.26 -1.42 120.40 134.70 1fjd s VAL 127 Ca 0.08 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.21 1fjd s VAL 127 Cb -0.19 -3.94 0.14 0.00 0.00 0.00 0.00 36.38 32.39 1fjd s VAL 127 CO -0.11 0.06 0.37 -1.61 0.00 0.00 0.00 175.10 173.81 1fjd s GLU 128 N 2.25 0.35 0.00 2.72 0.41 0.15 0.28 118.70 124.85 1fjd s GLU 128 Ca 0.27 0.39 0.00 0.00 -0.41 0.00 0.00 54.97 55.23 1fjd s GLU 128 Cb -0.16 -0.51 0.00 0.00 -1.78 0.00 0.00 34.13 31.69 1fjd s GLU 128 CO 0.09 -0.74 0.00 0.41 -0.49 0.00 0.00 175.26 174.53 1fjd n GLY 129 N 5.36 1.90 2.06 -1.39 0.00 -1.26 -2.90 105.19 108.95 1fjd n GLY 129 Ca -0.03 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1fjd n GLY 129 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1fjd n ARG 130 N 0.00 0.00 0.00 1.61 0.00 -1.25 -4.65 116.66 112.37 1fjd n ARG 130 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 57.92 1fjd n ARG 130 Cb 0.00 -0.65 0.06 0.00 0.00 0.00 0.00 32.46 31.87 1fjd n ARG 130 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26