#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 4.34 0.00 1.61 3.41 -1.26 -4.86 113.62 116.87 1fjd n SER 29 Ca 0.00 -2.61 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 1fjd n SER 29 Cb 0.00 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 62.65 1fjd n SER 29 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fjd n GLY 30 N 4.09 -1.17 3.62 5.00 0.00 -1.26 -4.72 105.19 110.76 1fjd n GLY 30 Ca 0.53 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1fjd n GLY 30 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1fjd s PRO 31 N 0.00 3.44 0.00 1.61 0.01 -1.26 -4.38 135.00 134.42 1fjd s PRO 31 Ca 0.00 2.12 0.00 0.00 0.01 0.00 0.00 61.00 63.13 1fjd s PRO 31 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 34.50 30.22 1fjd s PRO 31 CO 0.00 -1.75 0.00 0.36 0.01 0.00 0.00 177.00 175.62 1fjd n LYS 32 N 8.36 0.00 -1.94 5.54 2.85 -1.26 -5.12 118.16 126.59 1fjd n LYS 32 Ca 0.26 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.51 1fjd n LYS 32 Cb 0.44 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.81 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 -1.05 -3.67 1.52 2.58 0.00 -1.26 -4.89 105.19 98.42 1fjd n GLY 33 Ca 0.00 0.28 0.05 0.00 0.00 0.00 0.00 46.02 46.35 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 0.49 -3.58 3.65 -0.02 0.00 -1.26 -4.68 105.19 99.79 1fjd n GLY 34 Ca -0.10 -0.82 -0.44 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.08 0.37 0.29 -0.02 0.00 -1.26 -4.84 105.19 96.65 1fjd n GLY 35 Ca -0.03 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 1.49 0.00 -4.72 1.61 3.02 -1.26 -4.85 115.26 110.54 1fjd n ASN 36 Ca 0.09 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.26 1fjd n ASN 36 Cb 0.32 0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.45 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 -1.15 3.43 -0.01 5.41 0.00 -1.22 -3.51 121.76 124.71 1fjd s ALA 37 Ca 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.74 1fjd s ALA 37 Cb 0.00 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 20.39 1fjd s ALA 37 CO 0.00 -0.01 0.34 0.14 0.00 0.00 0.00 175.76 176.23 1fjd s VAL 38 N 0.60 0.05 -0.80 0.00 -7.23 -1.07 -1.35 120.40 110.60 1fjd s VAL 38 Ca 0.30 -0.45 -0.20 0.00 -1.81 0.00 0.00 61.98 59.81 1fjd s VAL 38 Cb -0.16 -0.68 0.10 0.00 0.56 0.00 0.00 36.38 36.20 1fjd s VAL 38 CO 0.13 -0.25 1.05 -0.75 -0.31 0.00 0.00 175.10 174.98 1fjd s LYS 39 N -1.46 3.37 0.22 4.82 2.47 -0.23 -2.61 119.74 126.32 1fjd s LYS 39 Ca -0.12 -1.33 -0.09 0.00 -1.56 0.00 0.00 55.97 52.87 1fjd s LYS 39 Cb -0.04 -4.62 -0.07 0.00 -1.46 0.00 0.00 37.83 31.64 1fjd s LYS 39 CO 0.04 -1.80 0.52 0.54 0.16 0.00 0.00 175.35 174.81 1fjd s VAL 40 N 3.35 4.98 0.06 4.02 0.11 -1.25 0.29 120.40 131.96 1fjd s VAL 40 Ca 0.28 0.38 0.04 0.00 -2.93 0.00 0.00 61.98 59.75 1fjd s VAL 40 Cb -0.11 -3.62 -0.03 0.00 -1.53 0.00 0.00 36.38 31.10 1fjd s VAL 40 CO -0.01 -0.06 -0.12 -0.13 -3.33 0.00 0.00 175.10 171.45 1fjd s ARG 41 N -2.81 0.74 -0.20 1.54 0.52 0.24 -2.83 118.95 116.15 1fjd s ARG 41 Ca 0.46 -0.91 -0.04 0.00 -0.52 0.00 0.00 55.73 54.72 1fjd s ARG 41 Cb -0.11 -0.67 0.10 0.00 0.52 0.00 0.00 34.95 34.78 1fjd s ARG 41 CO 0.22 0.14 0.26 -3.38 0.02 0.00 0.00 175.30 172.56 1fjd s HIS 42 N -1.34 -0.40 -0.24 -0.53 -3.43 -1.26 -2.10 115.29 105.99 1fjd s HIS 42 Ca -0.04 0.45 -0.09 0.00 -0.80 0.00 0.00 55.06 54.58 1fjd s HIS 42 Cb -0.10 -0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 30.77 1fjd s HIS 42 CO 0.02 -0.59 0.12 0.42 -2.00 0.00 0.00 174.74 172.71 1fjd s ILE 43 N 2.38 4.92 0.03 -5.38 1.01 -0.60 -4.46 121.20 119.10 1fjd s ILE 43 Ca 0.07 0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.83 1fjd s ILE 43 Cb -0.15 -3.29 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1fjd s ILE 43 CO -0.12 0.35 -0.24 -0.22 0.00 0.00 0.00 174.94 174.71 1fjd s LEU 44 N 1.19 2.26 -0.09 2.97 2.96 0.82 0.21 118.68 129.01 1fjd s LEU 44 Ca 0.06 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.47 1fjd s LEU 44 Cb -0.14 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.21 1fjd s LEU 44 CO 0.05 0.27 -0.19 0.00 -1.32 0.00 0.00 176.35 175.16 1fjd h GLU 46 N 6.85 0.47 -0.00 0.00 4.81 -1.88 -3.24 114.58 121.58 1fjd h GLU 46 Ca -0.25 -0.81 0.00 0.00 -0.13 0.00 0.00 59.36 58.17 1fjd h GLU 46 Cb 1.21 0.30 0.00 0.00 0.63 0.00 0.00 28.75 30.90 1fjd h GLU 46 CO 0.47 1.39 -0.33 1.63 -0.73 0.00 0.00 179.01 181.43 1fjd n LYS 47 N -3.67 0.36 -1.22 1.92 5.02 -1.26 -4.90 118.16 114.41 1fjd n LYS 47 Ca -0.15 -0.19 -0.10 0.00 -2.02 0.00 0.00 58.31 55.85 1fjd n LYS 47 Cb 1.09 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.56 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 -1.15 -0.07 -0.06 2.13 8.25 -1.22 -4.77 115.22 118.32 1fjd n HIS 48 Ca 0.09 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.33 1fjd n HIS 48 Cb 0.33 -2.54 -0.13 0.00 1.12 0.00 0.00 29.99 28.78 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 0.21 -0.62 0.17 -1.41 0.00 -1.26 -4.16 105.19 98.11 1fjd n GLY 49 Ca -0.10 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.92 1fjd n GLY 49 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1fjd h LYS 50 N -0.38 0.00 -1.08 1.61 -0.00 -1.93 -3.22 116.57 111.57 1fjd h LYS 50 Ca -0.44 0.00 0.29 0.00 -0.00 0.00 0.00 60.65 60.50 1fjd h LYS 50 Cb 1.75 0.00 -0.08 0.00 -0.00 0.00 0.00 32.23 33.89 1fjd h LYS 50 CO -0.07 0.00 0.72 0.97 -0.00 0.00 0.00 179.45 181.06 1fjd h ILE 51 N 0.00 0.47 0.10 0.07 6.09 -1.84 2.32 117.51 124.73 1fjd h ILE 51 Ca 0.00 -0.10 -0.16 0.00 -1.37 0.00 0.00 64.86 63.24 1fjd h ILE 51 Cb 0.84 0.17 0.01 0.00 0.47 0.00 0.00 36.82 38.31 1fjd h ILE 51 CO 0.00 0.05 -0.73 -0.03 -3.07 0.00 0.00 178.15 174.37 1fjd h MET 52 N 0.28 0.21 -0.60 2.19 4.05 -1.79 -0.95 114.93 118.31 1fjd h MET 52 Ca 0.60 -0.35 0.18 0.00 -0.28 0.00 0.00 59.70 59.84 1fjd h MET 52 Cb 1.74 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 32.65 1fjd h MET 52 CO -0.24 1.17 0.45 1.49 0.23 0.00 0.00 176.91 180.01 1fjd h GLU 53 N -0.54 0.00 0.00 0.39 4.81 -0.61 2.21 114.58 120.84 1fjd h GLU 53 Ca -0.14 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.90 1fjd h GLU 53 Cb 1.49 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.85 1fjd h GLU 53 CO 0.08 0.00 -0.90 0.00 -0.73 0.00 0.00 179.01 177.47 1fjd h ALA 54 N 1.67 0.51 0.01 2.92 0.00 0.38 -1.37 119.26 123.38 1fjd h ALA 54 Ca 0.29 -0.82 -0.15 0.00 0.00 0.00 0.00 54.91 54.23 1fjd h ALA 54 Cb 1.18 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.84 1fjd h ALA 54 CO -0.00 1.12 -0.59 0.52 0.00 0.00 0.00 179.25 180.30 1fjd h MET 55 N 0.00 0.38 0.54 0.00 2.86 0.46 -2.92 114.93 116.25 1fjd h MET 55 Ca -0.01 -0.43 -0.03 0.00 -2.06 0.00 0.00 59.70 57.18 1fjd h MET 55 Cb 1.60 0.12 0.01 0.00 0.06 0.00 0.00 31.60 33.39 1fjd h MET 55 CO 0.12 1.10 -0.26 0.93 1.06 0.00 0.00 176.91 179.86 1fjd h GLU 56 N -0.16 -0.70 -0.11 1.72 5.08 0.85 -2.23 114.58 119.03 1fjd h GLU 56 Ca -0.08 0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1fjd h GLU 56 Cb 1.32 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 1fjd h GLU 56 CO 0.12 -0.47 -0.11 0.87 -1.00 0.00 0.00 179.01 178.42 1fjd h LYS 57 N -1.14 -0.05 -1.32 2.33 1.57 -1.40 0.96 116.57 117.50 1fjd h LYS 57 Ca -0.07 0.00 0.41 0.00 -1.87 0.00 0.00 60.65 59.12 1fjd h LYS 57 Cb 0.56 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.77 1fjd h LYS 57 CO 0.12 -0.04 0.87 -0.07 -0.57 0.00 0.00 179.45 179.77 1fjd h LEU 58 N -0.05 0.23 0.00 2.94 4.07 -1.63 0.22 115.31 121.09 1fjd h LEU 58 Ca 0.02 0.11 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1fjd h LEU 58 Cb 0.11 0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.93 1fjd h LEU 58 CO -0.14 -0.11 0.00 0.29 -1.08 0.00 0.00 178.44 177.40 1fjd n LYS 59 N -4.58 0.00 -0.39 1.13 4.76 0.27 -3.87 118.16 115.48 1fjd n LYS 59 Ca 0.35 0.23 0.36 0.00 -2.87 0.00 0.00 58.31 56.38 1fjd n LYS 59 Cb 1.38 -0.83 0.63 0.00 -1.84 0.00 0.00 35.03 34.37 1fjd n LYS 59 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1fjd n SER 60 N -1.19 0.29 0.00 4.39 3.41 0.21 -4.71 113.62 116.02 1fjd n SER 60 Ca 0.00 1.54 0.00 0.00 -0.26 0.00 0.00 58.87 60.15 1fjd n SER 60 Cb 0.00 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 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 -1.38 1.95 0.00 5.00 0.00 0.64 -5.08 105.19 106.33 1fjd n GLY 61 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.21 2.93 -2.10 1.61 1.56 -0.49 -4.91 117.12 115.52 1fjd n MET 62 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.01 1fjd n MET 62 Cb 0.00 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.34 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 0.00 4.26 -0.06 2.12 0.52 -1.26 -4.82 118.95 119.71 1fjd s ARG 63 Ca 0.00 2.12 0.09 0.00 -0.52 0.00 0.00 55.73 57.43 1fjd s ARG 63 Cb 0.00 -3.49 -0.24 0.00 0.52 0.00 0.00 34.95 31.75 1fjd s ARG 63 CO 0.00 -0.60 0.60 1.19 0.02 0.00 0.00 175.30 176.51 1fjd n PHE 64 N 5.05 1.03 -0.01 -0.53 3.72 -1.26 -3.47 117.46 121.99 1fjd n PHE 64 Ca 0.14 0.34 -0.13 0.00 -0.05 0.00 0.00 57.45 57.74 1fjd n PHE 64 Cb 0.42 -1.18 -0.14 0.00 -0.94 0.00 0.00 39.48 37.64 1fjd n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1fjd n ASN 65 N -3.12 1.32 0.11 4.37 2.85 -1.26 -2.50 115.26 117.03 1fjd n ASN 65 Ca -0.20 0.33 -0.13 0.00 -0.11 0.00 0.00 54.58 54.47 1fjd n ASN 65 Cb 1.05 -0.34 -0.08 0.00 1.24 0.00 0.00 39.78 41.65 1fjd n ASN 65 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 1fjd h GLU 66 N 0.03 -0.28 0.32 1.20 4.39 -1.97 1.34 114.58 119.61 1fjd h GLU 66 Ca -0.34 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 1fjd h GLU 66 Cb 2.03 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 30.74 1fjd h GLU 66 CO 0.08 0.05 -0.18 -0.39 -1.16 0.00 0.00 179.01 177.41 1fjd h VAL 67 N -0.63 0.62 -0.97 3.13 -1.51 -1.74 -0.79 116.25 114.37 1fjd h VAL 67 Ca -0.03 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.64 1fjd h VAL 67 Cb 0.45 0.62 -0.11 0.00 -2.13 0.00 0.00 31.29 30.12 1fjd h VAL 67 CO 0.05 0.00 0.56 0.00 -1.23 0.00 0.00 177.57 176.94 1fjd h ALA 68 N 0.19 1.62 -0.66 5.19 0.00 -1.40 2.06 119.26 126.26 1fjd h ALA 68 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1fjd h ALA 68 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1fjd h ALA 68 CO 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1fjd n ALA 69 N -2.36 -0.25 -0.05 0.00 0.00 0.46 -0.45 120.51 117.87 1fjd n ALA 69 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.46 1fjd n ALA 69 Cb 0.61 0.16 -0.13 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.00 0.68 -0.26 0.00 1.13 -0.84 -3.43 117.38 112.66 1fjd n GLN 70 Ca 0.00 0.35 0.33 0.00 -1.94 0.00 0.00 57.00 55.74 1fjd n GLN 70 Cb 0.00 -1.69 0.74 0.00 0.11 0.00 0.00 30.24 29.39 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 -0.32 0.00 0.00 1.08 -1.99 0.31 3.85 116.97 119.90 1fjd h TYR 71 Ca -0.43 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.30 1fjd h TYR 71 Cb 1.78 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.51 1fjd h TYR 71 CO 0.07 0.00 0.00 0.45 -0.00 0.00 0.00 178.16 178.68 1fjd n SER 72 N -4.13 0.00 -2.87 3.88 2.88 -1.04 -3.86 113.62 108.48 1fjd n SER 72 Ca 0.23 -0.43 -0.10 0.00 -1.33 0.00 0.00 58.87 57.24 1fjd n SER 72 Cb 1.15 -0.12 -0.03 0.00 -0.75 0.00 0.00 64.21 64.46 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 -1.12 -0.97 0.00 -1.46 0.00 1.27 -0.12 120.64 118.24 1fjd n GLU 73 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.33 1fjd n GLU 73 Cb 0.12 -1.12 0.00 0.00 0.00 0.00 0.00 31.44 30.44 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 -0.51 0.00 -3.71 4.31 2.03 -1.26 -4.73 116.55 112.68 1fjd n ASP 74 Ca -0.06 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 54.99 1fjd n ASP 74 Cb 0.19 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.54 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 -1.56 0.00 -0.67 3.00 -1.26 -4.56 118.16 113.11 1fjd n LYS 75 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 1fjd n LYS 75 Cb 0.00 -4.52 0.00 0.00 0.00 0.00 0.00 35.03 30.51 1fjd n LYS 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fjd n ALA 76 N -3.39 0.00 -1.49 3.14 0.00 -1.22 -4.34 120.51 113.21 1fjd n ALA 76 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1fjd n ALA 76 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 0.03 0.00 0.63 0.40 -4.65 116.66 113.07 1fjd n ARG 77 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 1fjd n ARG 77 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 1fjd n ARG 77 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1fjd h GLN 78 N 0.00 -0.43 -0.34 -0.14 7.50 -1.85 5.71 115.11 125.56 1fjd h GLN 78 Ca 0.00 0.03 0.10 0.00 0.50 0.00 0.00 58.65 59.28 1fjd h GLN 78 Cb 0.00 0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.61 1fjd h GLN 78 CO 0.00 -0.28 0.46 0.78 -1.50 0.00 0.00 178.83 178.28 1fjd h GLY 79 N -0.44 0.00 0.05 3.46 0.00 -1.84 -0.36 103.07 103.94 1fjd h GLY 79 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.24 1fjd h GLY 79 CO -0.32 0.00 -0.90 -1.33 0.00 0.00 0.00 176.54 173.99 1fjd h GLY 80 N 0.00 0.03 -5.07 4.60 0.00 0.38 -3.49 103.07 99.52 1fjd h GLY 80 Ca 0.16 -0.07 -0.21 0.00 0.00 0.00 0.00 47.33 47.21 1fjd h GLY 80 CO -0.00 0.06 -0.82 1.34 0.00 0.00 0.00 176.54 177.12 1fjd n ASP 81 N -4.43 -3.95 -0.59 0.19 -0.08 1.68 -4.56 116.55 104.81 1fjd n ASP 81 Ca -0.25 -0.03 0.45 0.00 -1.51 0.00 0.00 54.79 53.45 1fjd n ASP 81 Cb 0.64 -1.10 0.69 0.00 2.34 0.00 0.00 41.12 43.70 1fjd n ASP 81 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1fjd n LEU 82 N 0.14 0.00 0.00 -2.67 4.32 -1.13 -4.85 117.00 112.81 1fjd n LEU 82 Ca -0.05 0.85 0.00 0.00 -0.02 0.00 0.00 56.01 56.80 1fjd n LEU 82 Cb 0.45 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1fjd n LEU 82 CO 0.30 -0.85 0.00 0.61 -1.22 0.00 0.00 177.39 176.23 1fjd n GLY 83 N -1.79 -3.12 3.57 -0.72 0.00 -1.23 -4.90 105.19 97.00 1fjd n GLY 83 Ca 0.38 -1.79 -0.47 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.53 1.16 -4.00 1.61 7.02 -1.26 -3.85 117.44 117.59 1fjd n TRP 84 Ca 0.00 0.71 -0.13 0.00 -1.02 0.00 0.00 57.50 57.06 1fjd n TRP 84 Cb 0.00 -2.25 -0.14 0.00 -2.42 0.00 0.00 31.31 26.51 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 -0.86 0.22 0.06 -0.99 -1.94 -1.07 -4.91 119.30 109.81 1fjd s MET 85 Ca 0.67 -0.19 0.09 0.00 -1.71 0.00 0.00 55.69 54.56 1fjd s MET 85 Cb -0.80 -0.16 -0.03 0.00 2.01 0.00 0.00 34.83 35.85 1fjd s MET 85 CO 0.55 0.04 -0.26 0.95 -0.01 0.00 0.00 175.02 176.30 1fjd s THR 86 N -0.30 2.23 -0.51 2.05 -4.23 -1.23 -2.59 115.64 111.06 1fjd s THR 86 Ca -0.02 -1.44 -0.27 0.00 -1.18 0.00 0.00 61.69 58.78 1fjd s THR 86 Cb -0.03 -1.90 -0.27 0.00 1.34 0.00 0.00 72.50 71.64 1fjd s THR 86 CO -0.00 0.31 1.81 -1.14 -0.54 0.00 0.00 174.62 175.05 1fjd n ARG 87 N 1.58 0.51 0.04 3.99 0.63 -1.23 -3.57 116.66 118.61 1fjd n ARG 87 Ca -0.17 -1.48 0.00 0.00 -0.92 0.00 0.00 57.85 55.28 1fjd n ARG 87 Cb 0.52 -3.01 0.00 0.00 0.45 0.00 0.00 32.46 30.42 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 5.21 -0.38 0.68 5.14 0.00 -1.26 -4.89 105.19 109.69 1fjd n GLY 88 Ca 0.46 0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.63 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 -2.70 2.40 -3.67 1.61 7.64 -1.23 -4.96 113.62 112.70 1fjd n SER 89 Ca 0.00 -1.70 0.00 0.00 1.01 0.00 0.00 58.87 58.18 1fjd n SER 89 Cb 0.00 0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.72 1.02 -1.05 1.43 0.00 -1.26 -5.08 117.12 112.91 1fjd n MET 90 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.81 1fjd n MET 90 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.69 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 -0.65 0.00 0.00 1.12 0.31 -1.26 -5.05 118.33 112.80 1fjd n VAL 91 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1fjd n VAL 91 Cb 0.00 -0.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 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 5.00 0.08 0.11 2.92 0.00 -1.26 -3.99 105.19 108.04 1fjd n GLY 92 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1fjd n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fjd h PRO 93 N 0.00 0.25 -1.03 1.61 0.14 -1.93 -0.32 132.00 130.72 1fjd h PRO 93 Ca 0.00 -0.03 0.38 0.00 0.14 0.00 0.00 66.00 66.49 1fjd h PRO 93 Cb 0.00 -0.05 -0.16 0.00 0.14 0.00 0.00 31.00 30.93 1fjd h PRO 93 CO 0.00 0.25 0.58 0.35 0.14 0.00 0.00 178.00 179.32 1fjd h PHE 94 N 0.18 0.85 0.04 1.56 3.04 -1.87 -1.39 116.94 119.34 1fjd h PHE 94 Ca 0.06 0.04 -0.27 0.00 3.98 0.00 0.00 57.97 61.78 1fjd h PHE 94 Cb 0.07 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.35 1fjd h PHE 94 CO -0.04 -0.33 -1.49 0.94 -2.02 0.00 0.00 178.31 175.37 1fjd n GLN 95 N -5.13 0.62 -0.71 1.11 7.27 -1.04 -3.82 117.38 115.69 1fjd n GLN 95 Ca 0.35 0.48 0.54 0.00 0.07 0.00 0.00 57.00 58.44 1fjd n GLN 95 Cb 1.18 -1.74 0.82 0.00 2.41 0.00 0.00 30.24 32.92 1fjd n GLN 95 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1fjd n GLU 96 N -4.15 -0.00 0.00 3.69 1.02 -0.16 -1.86 120.64 119.18 1fjd n GLU 96 Ca -0.32 1.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 1fjd n GLU 96 Cb 0.79 -2.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1fjd n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fjd n ALA 97 N -2.92 0.00 -0.09 0.62 0.00 -0.97 -3.81 120.51 113.33 1fjd n ALA 97 Ca 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.86 1fjd n ALA 97 Cb 2.02 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 21.45 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 -1.31 -0.14 -0.16 0.00 0.00 -1.15 0.23 120.51 117.97 1fjd n ALA 98 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.56 1fjd n ALA 98 Cb 0.00 0.31 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 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 -0.91 0.00 0.00 -1.00 -1.64 1.00 116.94 114.39 1fjd h PHE 99 Ca 0.03 0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1fjd h PHE 99 Cb 0.09 0.45 0.00 0.00 3.61 0.00 0.00 35.95 40.10 1fjd h PHE 99 CO -0.85 -0.20 0.00 0.00 -1.61 0.00 0.00 178.31 175.64 1fjd h ALA 100 N -0.40 1.00 -2.46 2.45 0.00 -1.38 -3.43 119.26 115.04 1fjd h ALA 100 Ca 0.06 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.45 1fjd h ALA 100 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1fjd h ALA 100 CO -0.41 0.00 -0.36 -0.51 0.00 0.00 0.00 179.25 177.97 1fjd s LEU 101 N -5.09 4.24 0.60 0.00 1.43 0.62 -5.04 118.68 115.44 1fjd s LEU 101 Ca -0.01 0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 53.22 1fjd s LEU 101 Cb 0.09 -3.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 1fjd s LEU 101 CO 0.34 -0.05 1.28 -2.16 0.23 0.00 0.00 176.35 175.99 1fjd s PRO 102 N -3.48 2.86 1.08 1.29 0.05 -1.26 -4.76 135.00 130.78 1fjd s PRO 102 Ca 0.37 2.02 -0.17 0.00 0.05 0.00 0.00 61.00 63.26 1fjd s PRO 102 Cb -0.11 -1.98 0.13 0.00 0.05 0.00 0.00 34.50 32.59 1fjd s PRO 102 CO 0.30 -1.35 0.07 0.28 0.05 0.00 0.00 177.00 176.35 1fjd n VAL 103 N -1.56 0.00 -0.49 -0.36 0.31 -1.26 -4.49 118.33 110.47 1fjd n VAL 103 Ca 0.14 -0.16 0.06 0.00 -0.01 0.00 0.00 64.34 64.37 1fjd n VAL 103 Cb 0.48 -0.53 -0.03 0.00 -0.91 0.00 0.00 33.84 32.85 1fjd n VAL 103 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1fjd n SER 104 N -1.33 -2.90 0.00 4.52 7.64 0.24 -3.57 113.62 118.23 1fjd n SER 104 Ca 0.03 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1fjd n SER 104 Cb 0.51 -1.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.09 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 -3.04 -1.51 6.21 0.23 0.00 -1.25 -3.68 105.19 102.15 1fjd n GLY 105 Ca -0.02 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.75 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 0.00 0.00 -2.69 1.61 0.00 -1.24 -2.74 117.12 112.06 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 0.00 0.00 0.12 0.00 0.00 0.00 0.00 33.22 33.34 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 4.84 -1.79 0.06 6.12 2.03 -1.26 -4.48 116.55 122.07 1fjd n ASP 107 Ca 0.00 -2.39 0.00 0.00 0.52 0.00 0.00 54.79 52.92 1fjd n ASP 107 Cb 0.00 0.93 0.00 0.00 -0.72 0.00 0.00 41.12 41.33 1fjd n ASP 107 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1fjd n LYS 108 N -0.84 0.00 0.00 -0.67 5.02 -1.11 -5.05 118.16 115.51 1fjd n LYS 108 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1fjd n LYS 108 Cb 0.85 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.86 1fjd n LYS 108 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1fjd n PRO 109 N -3.11 1.79 0.00 1.97 -0.01 -1.22 -4.76 135.00 129.66 1fjd n PRO 109 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 1fjd n PRO 109 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.49 1fjd n PRO 109 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 175.50 177.04 1fjd n VAL 110 N -0.41 0.00 0.06 -1.45 3.14 -1.23 -4.71 118.33 113.73 1fjd n VAL 110 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1fjd n VAL 110 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1fjd n VAL 110 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1fjd n PHE 111 N 0.00 -0.81 0.00 1.45 3.72 -1.26 -4.97 117.46 115.59 1fjd n PHE 111 Ca 0.00 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1fjd n PHE 111 Cb 0.00 0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 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 -3.13 0.00 -3.72 4.37 5.66 -1.26 -4.95 114.28 111.24 1fjd n THR 112 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 1fjd n THR 112 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 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 -2.07 6.53 0.08 1.09 1.01 -1.26 -4.98 116.67 117.07 1fjd s ASP 113 Ca 0.00 0.62 -0.29 0.00 0.71 0.00 0.00 52.55 53.58 1fjd s ASP 113 Cb 0.00 -2.11 -0.17 0.00 1.01 0.00 0.00 42.92 41.65 1fjd s ASP 113 CO 0.00 0.26 1.66 -0.65 0.21 0.00 0.00 175.17 176.65 1fjd h PRO 114 N 4.10 -0.57 -5.00 8.23 0.11 -1.88 -3.34 132.00 133.65 1fjd h PRO 114 Ca -0.50 0.04 -0.38 0.00 0.11 0.00 0.00 66.00 65.26 1fjd h PRO 114 Cb 1.20 0.13 0.06 0.00 0.11 0.00 0.00 31.00 32.50 1fjd h PRO 114 CO 0.65 -0.38 1.06 -2.30 -0.21 0.00 0.00 178.00 176.82 1fjd n PRO 115 N -5.35 0.49 -3.41 1.05 -0.02 -1.20 -3.22 135.00 123.33 1fjd n PRO 115 Ca -0.11 -1.56 -0.32 0.00 -2.02 0.00 0.00 63.50 59.50 1fjd n PRO 115 Cb 0.26 -3.18 -0.05 0.00 -0.02 0.00 0.00 33.50 30.50 1fjd n PRO 115 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1fjd s VAL 116 N 10.48 4.94 -0.07 -1.45 -7.23 0.13 -4.26 120.40 122.94 1fjd s VAL 116 Ca 0.71 0.46 -0.04 0.00 -1.81 0.00 0.00 61.98 61.30 1fjd s VAL 116 Cb 0.07 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.35 1fjd s VAL 116 CO 0.23 -0.08 0.12 -0.75 -0.31 0.00 0.00 175.10 174.32 1fjd s LYS 117 N -2.84 3.30 0.00 4.82 2.20 -1.26 -0.73 119.74 125.24 1fjd s LYS 117 Ca 0.47 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1fjd s LYS 117 Cb -0.11 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1fjd s LYS 117 CO 0.21 0.72 0.00 0.25 -0.36 0.00 0.00 175.35 176.17 1fjd n THR 118 N 1.59 0.00 0.00 3.43 -2.24 -1.24 -4.80 114.28 111.02 1fjd n THR 118 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1fjd n THR 118 Cb 0.54 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 -1.62 0.00 -0.10 -0.78 4.81 -1.26 -4.86 118.16 114.36 1fjd n LYS 119 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 1fjd n LYS 119 Cb 0.12 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.10 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 -0.52 0.70 -2.08 5.64 3.01 -1.26 -5.10 117.46 117.84 1fjd n PHE 120 Ca 0.00 0.30 0.00 0.00 1.01 0.00 0.00 57.45 58.76 1fjd n PHE 120 Cb 0.00 -0.89 0.00 0.00 -0.01 0.00 0.00 39.48 38.58 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 1.48 1.46 3.76 1.37 0.00 -1.26 -5.09 105.19 106.90 1fjd n GLY 121 Ca -0.24 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.41 3.64 0.01 1.61 2.02 -1.26 -3.66 117.35 118.31 1fjd s TYR 122 Ca 0.00 1.09 -0.06 0.00 -0.37 0.00 0.00 57.07 57.72 1fjd s TYR 122 Cb 0.00 -2.55 -0.00 0.00 -0.40 0.00 0.00 41.96 39.01 1fjd s TYR 122 CO 0.00 0.35 0.11 -3.38 -1.57 0.00 0.00 175.55 171.06 1fjd s HIS 123 N -0.11 0.08 -0.08 2.71 -3.43 0.09 -1.84 115.29 112.71 1fjd s HIS 123 Ca 0.29 -0.20 -0.20 0.00 -0.80 0.00 0.00 55.06 54.14 1fjd s HIS 123 Cb -0.17 -0.07 -0.04 0.00 -1.43 0.00 0.00 32.58 30.87 1fjd s HIS 123 CO 0.15 -0.28 0.57 0.42 -2.00 0.00 0.00 174.74 173.60 1fjd s ILE 124 N -1.44 5.10 -0.19 -5.38 1.01 0.58 0.22 121.20 121.09 1fjd s ILE 124 Ca -0.15 1.17 -0.03 0.00 0.00 0.00 0.00 60.65 61.64 1fjd s ILE 124 Cb -0.08 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1fjd s ILE 124 CO 0.01 0.31 -0.05 -0.63 0.00 0.00 0.00 174.94 174.58 1fjd s ILE 125 N 0.55 3.44 -0.25 2.92 1.01 -1.21 -1.56 121.20 126.10 1fjd s ILE 125 Ca 0.31 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.49 1fjd s ILE 125 Cb -0.16 -2.53 0.06 0.00 0.01 0.00 0.00 42.46 39.83 1fjd s ILE 125 CO 0.14 0.45 -0.07 -0.32 0.00 0.00 0.00 174.94 175.14 1fjd s MET 126 N 1.07 1.87 0.26 2.79 -2.45 -0.89 -3.65 119.30 118.29 1fjd s MET 126 Ca 0.01 -1.18 -0.11 0.00 -1.25 0.00 0.00 55.69 53.17 1fjd s MET 126 Cb -0.15 -2.73 -0.08 0.00 1.25 0.00 0.00 34.83 33.13 1fjd s MET 126 CO -0.00 -0.60 0.59 0.08 1.05 0.00 0.00 175.02 176.14 1fjd s VAL 127 N 1.25 4.88 -0.37 10.11 1.01 -1.24 -0.59 120.40 135.44 1fjd s VAL 127 Ca -0.06 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.51 1fjd s VAL 127 Cb -0.19 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 32.72 1fjd s VAL 127 CO -0.06 -0.11 0.36 -0.70 0.00 0.00 0.00 175.10 174.59 1fjd s GLU 128 N -2.89 0.65 0.00 2.72 2.12 0.83 0.81 118.70 122.94 1fjd s GLU 128 Ca 0.49 -0.96 0.00 0.00 0.36 0.00 0.00 54.97 54.85 1fjd s GLU 128 Cb -0.11 -0.80 0.00 0.00 0.26 0.00 0.00 34.13 33.48 1fjd s GLU 128 CO 0.21 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.13 1fjd n GLY 129 N 4.15 -1.27 3.33 -1.50 0.00 -1.26 -2.86 105.19 105.78 1fjd n GLY 129 Ca 0.12 -1.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 1fjd n GLY 129 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1fjd s ARG 130 N -3.32 1.61 0.00 1.61 1.70 -1.25 -1.06 118.95 118.25 1fjd s ARG 130 Ca 0.00 -1.92 0.01 0.00 -0.47 0.00 0.00 55.73 53.34 1fjd s ARG 130 Cb 0.00 -0.07 0.01 0.00 -0.57 0.00 0.00 34.95 34.31 1fjd s ARG 130 CO 0.00 -0.47 0.52 1.63 -1.08 0.00 0.00 175.30 175.90