#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 4.41 -3.31 1.61 2.88 -1.26 -5.07 113.62 112.89 1fjd n SER 29 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1fjd n SER 29 Cb 0.00 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1fjd n SER 29 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fjd n GLY 30 N 2.74 -1.25 0.28 0.46 0.00 -1.26 -4.87 105.19 101.29 1fjd n GLY 30 Ca 0.00 0.55 -0.06 0.00 0.00 0.00 0.00 46.02 46.50 1fjd n GLY 30 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fjd h PRO 31 N 0.27 0.95 -6.19 1.61 0.14 -2.07 -3.48 132.00 123.22 1fjd h PRO 31 Ca -0.22 -0.13 -0.23 0.00 0.14 0.00 0.00 66.00 65.56 1fjd h PRO 31 Cb 1.14 -0.18 0.01 0.00 0.14 0.00 0.00 31.00 32.12 1fjd h PRO 31 CO 0.32 0.73 -1.03 1.63 0.14 0.00 0.00 178.00 179.80 1fjd n LYS 32 N -4.49 -1.85 -1.41 0.86 5.02 -1.26 -4.91 118.16 110.13 1fjd n LYS 32 Ca 0.05 1.54 -0.07 0.00 -2.02 0.00 0.00 58.31 57.81 1fjd n LYS 32 Cb 0.11 -2.79 0.11 0.00 -0.02 0.00 0.00 35.03 32.43 1fjd n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fjd n GLY 33 N 0.08 5.23 1.52 0.72 0.00 -1.26 -5.01 105.19 106.47 1fjd n GLY 33 Ca -0.03 -1.85 -0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.81 -2.89 3.94 -0.02 0.00 -1.26 -5.06 105.19 99.09 1fjd n GLY 34 Ca 0.28 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1fjd n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fjd s GLY 35 N -0.02 1.81 0.00 -0.02 0.00 -1.26 -5.03 107.32 102.81 1fjd s GLY 35 Ca -0.00 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.39 1fjd s GLY 35 CO 0.01 -0.51 0.00 0.70 0.00 0.00 0.00 173.10 173.30 1fjd n ASN 36 N -3.81 0.00 -4.19 1.64 3.02 0.71 -4.98 115.26 107.66 1fjd n ASN 36 Ca 0.17 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.52 1fjd n ASN 36 Cb 0.59 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.75 1.30 -0.01 5.41 0.00 -1.19 -3.73 121.76 121.79 1fjd s ALA 37 Ca 0.00 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 50.79 1fjd s ALA 37 Cb 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1fjd s ALA 37 CO 0.00 0.22 0.34 0.14 0.00 0.00 0.00 175.76 176.46 1fjd s VAL 38 N -1.16 0.05 -0.84 0.00 -7.23 -1.04 -0.72 120.40 109.47 1fjd s VAL 38 Ca 0.00 -0.45 -0.20 0.00 -1.81 0.00 0.00 61.98 59.52 1fjd s VAL 38 Cb -0.10 -0.68 0.11 0.00 0.56 0.00 0.00 36.38 36.27 1fjd s VAL 38 CO 0.02 -0.25 1.08 -0.75 -0.31 0.00 0.00 175.10 174.89 1fjd s LYS 39 N -1.45 3.43 0.21 4.82 2.47 -0.79 -1.96 119.74 126.48 1fjd s LYS 39 Ca -0.12 -1.44 -0.13 0.00 -1.56 0.00 0.00 55.97 52.72 1fjd s LYS 39 Cb -0.04 -4.71 -0.07 0.00 -1.46 0.00 0.00 37.83 31.55 1fjd s LYS 39 CO 0.04 -1.80 0.58 0.54 0.16 0.00 0.00 175.35 174.87 1fjd s VAL 40 N 3.20 4.85 0.03 4.02 0.11 -1.24 0.29 120.40 131.67 1fjd s VAL 40 Ca 0.29 0.72 0.01 0.00 -2.93 0.00 0.00 61.98 60.08 1fjd s VAL 40 Cb -0.09 -3.68 -0.02 0.00 -1.53 0.00 0.00 36.38 31.06 1fjd s VAL 40 CO -0.03 0.05 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.60 1fjd s ARG 41 N -2.45 0.46 0.01 1.54 0.52 0.19 -2.03 118.95 117.19 1fjd s ARG 41 Ca 0.44 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 54.97 1fjd s ARG 41 Cb -0.13 -0.16 -0.01 0.00 0.52 0.00 0.00 34.95 35.17 1fjd s ARG 41 CO 0.20 0.02 -0.08 -3.38 0.02 0.00 0.00 175.30 172.08 1fjd s HIS 42 N -1.40 0.70 -0.04 -0.53 -3.43 0.77 -0.11 115.29 111.25 1fjd s HIS 42 Ca -0.12 -0.23 0.03 0.00 -0.80 0.00 0.00 55.06 53.94 1fjd s HIS 42 Cb -0.10 -0.43 0.00 0.00 -1.43 0.00 0.00 32.58 30.62 1fjd s HIS 42 CO -0.00 -0.02 -0.11 0.42 -2.00 0.00 0.00 174.74 173.02 1fjd s ILE 43 N -0.52 1.00 0.13 -5.38 1.01 -1.02 -2.58 121.20 113.84 1fjd s ILE 43 Ca -0.00 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.28 1fjd s ILE 43 Cb -0.05 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 1fjd s ILE 43 CO 0.00 0.31 -0.23 -0.76 0.00 0.00 0.00 174.94 174.26 1fjd s LEU 44 N 0.28 2.34 0.00 2.97 1.43 -1.26 -0.43 118.68 124.01 1fjd s LEU 44 Ca -0.06 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 1fjd s LEU 44 Cb -0.11 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.07 1fjd s LEU 44 CO 0.01 0.10 0.00 0.00 0.23 0.00 0.00 176.35 176.70 1fjd n GLU 46 N -0.70 0.00 0.00 0.00 2.13 -1.26 -2.81 120.64 118.00 1fjd n GLU 46 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 1fjd n GLU 46 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 1fjd n GLU 46 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1fjd n LYS 47 N 0.00 0.50 -1.98 5.31 2.85 -1.26 -4.83 118.16 118.74 1fjd n LYS 47 Ca 0.00 -0.13 -0.20 0.00 -1.05 0.00 0.00 58.31 56.93 1fjd n LYS 47 Cb 0.00 -1.54 -0.05 0.00 -0.65 0.00 0.00 35.03 32.80 1fjd n LYS 47 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1fjd n HIS 48 N -2.10 -0.48 0.24 5.58 8.25 -1.12 -4.82 115.22 120.77 1fjd n HIS 48 Ca -0.02 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.57 1fjd n HIS 48 Cb 0.51 -3.63 0.49 0.00 1.12 0.00 0.00 29.99 28.48 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 0.00 0.00 -1.41 0.00 -1.93 -3.13 103.07 96.60 1fjd h GLY 49 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1fjd h GLY 49 CO 0.59 0.00 0.00 0.58 0.00 0.00 0.00 176.54 177.71 1fjd n LYS 50 N -3.22 3.73 -0.30 4.80 0.00 -1.26 -4.58 118.16 117.32 1fjd n LYS 50 Ca 0.01 -0.20 0.24 0.00 -0.00 0.00 0.00 58.31 58.36 1fjd n LYS 50 Cb 0.41 -0.69 0.55 0.00 -0.00 0.00 0.00 35.03 35.30 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 0.01 0.54 -0.00 0.58 6.09 -1.83 2.71 117.51 125.61 1fjd h ILE 51 Ca 0.00 -0.11 -0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1fjd h ILE 51 Cb 0.00 0.19 0.00 0.00 0.47 0.00 0.00 36.82 37.48 1fjd h ILE 51 CO 0.00 0.06 -0.01 -0.03 -3.07 0.00 0.00 178.15 175.10 1fjd h MET 52 N 0.33 0.00 -0.74 2.19 4.05 -1.82 0.56 114.93 119.50 1fjd h MET 52 Ca 0.56 -0.00 0.21 0.00 -0.28 0.00 0.00 59.70 60.19 1fjd h MET 52 Cb 1.54 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.32 1fjd h MET 52 CO -0.22 0.80 0.54 1.49 0.23 0.00 0.00 176.91 179.75 1fjd h GLU 53 N -0.79 0.00 0.04 0.39 4.81 -0.76 2.57 114.58 120.85 1fjd h GLU 53 Ca -0.00 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1fjd h GLU 53 Cb 0.80 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1fjd h GLU 53 CO 0.00 0.00 -1.01 0.00 -0.73 0.00 0.00 179.01 177.27 1fjd h ALA 54 N 1.61 0.35 0.12 2.92 0.00 0.50 -0.74 119.26 124.01 1fjd h ALA 54 Ca 0.35 -0.79 -0.29 0.00 0.00 0.00 0.00 54.91 54.18 1fjd h ALA 54 Cb 1.44 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.20 1fjd h ALA 54 CO -0.00 0.96 -1.21 0.52 0.00 0.00 0.00 179.25 179.52 1fjd h MET 55 N 0.10 0.61 0.60 0.00 2.86 0.87 -2.95 114.93 117.03 1fjd h MET 55 Ca -0.07 -0.82 -0.03 0.00 -2.06 0.00 0.00 59.70 56.72 1fjd h MET 55 Cb 1.69 0.27 0.01 0.00 0.06 0.00 0.00 31.60 33.62 1fjd h MET 55 CO 0.16 1.37 -0.29 1.49 1.06 0.00 0.00 176.91 180.70 1fjd h GLU 56 N 0.24 -0.77 -0.68 1.72 4.22 0.34 -1.68 114.58 117.96 1fjd h GLU 56 Ca -0.18 0.05 0.07 0.00 0.08 0.00 0.00 59.36 59.37 1fjd h GLU 56 Cb 1.89 0.18 -0.09 0.00 0.50 0.00 0.00 28.75 31.22 1fjd h GLU 56 CO 0.23 -0.50 -0.53 0.87 -2.18 0.00 0.00 179.01 176.90 1fjd h LYS 57 N -1.19 -0.15 -1.04 1.92 1.79 -1.27 1.65 116.57 118.27 1fjd h LYS 57 Ca -0.08 0.01 0.28 0.00 -2.18 0.00 0.00 60.65 58.68 1fjd h LYS 57 Cb 0.63 0.03 -0.12 0.00 -1.58 0.00 0.00 32.23 31.20 1fjd h LYS 57 CO 0.14 -0.10 0.64 -0.07 -1.08 0.00 0.00 179.45 178.98 1fjd h LEU 58 N -0.16 0.53 0.04 2.94 3.38 -1.56 0.13 115.31 120.61 1fjd h LEU 58 Ca 0.11 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 1fjd h LEU 58 Cb 0.45 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1fjd h LEU 58 CO -0.73 0.05 -0.02 0.50 0.09 0.00 0.00 178.44 178.33 1fjd h LYS 59 N 0.44 -0.05 -0.93 1.13 3.64 0.28 -3.33 116.57 117.75 1fjd h LYS 59 Ca 0.65 0.00 0.29 0.00 -1.27 0.00 0.00 60.65 60.33 1fjd h LYS 59 Cb 1.49 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 33.16 1fjd h LYS 59 CO -0.41 -0.03 0.16 0.43 -2.27 0.00 0.00 179.45 177.32 1fjd n SER 60 N -2.57 0.02 0.00 4.20 7.64 0.38 -4.70 113.62 118.59 1fjd n SER 60 Ca -0.01 1.56 0.00 0.00 1.01 0.00 0.00 58.87 61.44 1fjd n SER 60 Cb 0.02 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 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 -1.40 0.89 3.97 0.23 0.00 0.01 -5.07 105.19 103.81 1fjd n GLY 61 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 1fjd n GLY 61 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1fjd s MET 62 N 0.00 1.63 0.49 1.61 1.75 0.25 -4.99 119.30 120.05 1fjd s MET 62 Ca 0.00 -0.86 -0.19 0.00 -1.25 0.00 0.00 55.69 53.39 1fjd s MET 62 Cb 0.00 -2.24 -0.13 0.00 2.84 0.00 0.00 34.83 35.30 1fjd s MET 62 CO 0.00 -1.53 0.19 0.54 -0.65 0.00 0.00 175.02 173.58 1fjd n ARG 63 N -2.96 0.23 -0.04 4.11 1.74 -1.26 -4.52 116.66 113.96 1fjd n ARG 63 Ca 0.14 0.09 -0.22 0.00 -0.77 0.00 0.00 57.85 57.09 1fjd n ARG 63 Cb 0.60 -1.27 -0.13 0.00 -1.02 0.00 0.00 32.46 30.64 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 -1.38 1.05 -0.01 -1.55 3.72 -1.26 -4.30 117.46 113.73 1fjd n PHE 64 Ca 0.10 0.27 -0.16 0.00 -0.05 0.00 0.00 57.45 57.61 1fjd n PHE 64 Cb 0.45 -1.13 -0.14 0.00 -0.94 0.00 0.00 39.48 37.72 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 -3.72 1.63 -0.07 4.37 6.94 -1.12 -3.13 115.26 120.16 1fjd n ASN 65 Ca -0.34 0.27 -0.09 0.00 -0.02 0.00 0.00 54.58 54.40 1fjd n ASN 65 Cb 0.95 -0.52 -0.03 0.00 -2.36 0.00 0.00 39.78 37.82 1fjd n ASN 65 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 1fjd h GLU 66 N 0.04 -0.30 0.00 -3.83 4.39 -1.88 3.06 114.58 116.06 1fjd h GLU 66 Ca -0.38 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.34 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 0.00 179.01 179.06 1fjd n VAL 67 N -5.41 0.00 -0.45 3.13 0.24 -1.26 -0.86 118.33 113.73 1fjd n VAL 67 Ca -0.01 1.04 0.36 0.00 -2.04 0.00 0.00 64.34 63.68 1fjd n VAL 67 Cb 0.33 -1.81 0.57 0.00 -1.47 0.00 0.00 33.84 31.47 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 -0.86 1.24 -0.53 2.33 0.00 -0.95 0.15 120.51 121.89 1fjd n ALA 68 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1fjd n ALA 68 Cb 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.61 -0.08 -0.04 0.00 0.00 1.02 -1.80 120.51 117.00 1fjd n ALA 69 Ca 0.33 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.56 1fjd n ALA 69 Cb 1.37 0.24 -0.13 0.00 0.00 0.00 0.00 19.45 20.92 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 -1.69 0.72 -0.64 0.00 1.13 0.35 -3.94 117.38 113.30 1fjd n GLN 70 Ca 0.00 0.27 0.50 0.00 -1.94 0.00 0.00 57.00 55.84 1fjd n GLN 70 Cb 0.00 -1.67 0.81 0.00 0.11 0.00 0.00 30.24 29.49 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 -0.09 0.00 0.00 1.08 -1.99 0.12 -3.31 116.97 112.79 1fjd h TYR 71 Ca -0.45 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.28 1fjd h TYR 71 Cb 1.92 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.65 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 -3.96 0.00 -0.46 3.88 2.88 -0.74 -3.78 113.62 111.43 1fjd n SER 72 Ca 0.41 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1fjd n SER 72 Cb 1.89 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 65.35 1fjd n SER 72 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1fjd n GLU 73 N 0.00 0.00 0.00 -1.46 -0.58 -1.05 -4.21 120.64 113.33 1fjd n GLU 73 Ca 0.00 -0.66 0.00 0.00 -0.42 0.00 0.00 57.16 56.08 1fjd n GLU 73 Cb 0.00 -0.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.53 1fjd n GLU 73 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1fjd n ASP 74 N 0.00 0.00 -4.53 1.62 2.03 -1.26 -5.04 116.55 109.36 1fjd n ASP 74 Ca 0.00 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.97 1fjd n ASP 74 Cb 0.63 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 41.14 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 -0.01 0.00 -0.67 3.00 -1.26 -4.91 118.16 114.31 1fjd n LYS 75 Ca 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 1fjd n LYS 75 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 35.03 32.96 1fjd n LYS 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fjd n ALA 76 N -3.25 0.00 -0.84 3.14 0.00 -1.26 -4.44 120.51 113.87 1fjd n ALA 76 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1fjd n ALA 76 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.33 0.00 0.00 0.63 -1.26 -2.50 116.66 113.20 1fjd n ARG 77 Ca 0.00 0.08 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1fjd n ARG 77 Cb 0.00 -3.64 0.00 0.00 0.45 0.00 0.00 32.46 29.27 1fjd n ARG 77 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1fjd n GLN 78 N -1.68 0.00 0.00 -0.14 0.00 -1.26 -4.83 117.38 109.46 1fjd n GLN 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1fjd n GLN 78 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.32 1fjd n GLN 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fjd n GLY 79 N 0.00 0.00 1.87 1.69 0.00 -1.22 -2.79 105.19 104.74 1fjd n GLY 79 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.64 3.55 -0.02 0.00 -1.04 0.27 105.19 108.59 1fjd n GLY 80 Ca 0.00 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 0.49 1.22 0.04 1.61 -0.08 -1.26 -0.48 116.55 118.09 1fjd n ASP 81 Ca -0.00 -2.50 0.20 0.00 -1.51 0.00 0.00 54.79 50.98 1fjd n ASP 81 Cb 0.51 -1.27 0.56 0.00 2.34 0.00 0.00 41.12 43.26 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 20.85 0.00 0.00 -2.67 4.07 -1.74 -3.47 115.31 132.35 1fjd h LEU 82 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1fjd h LEU 82 Cb 0.88 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 1fjd h LEU 82 CO 1.40 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 179.37 1fjd n GLY 83 N -1.53 1.38 3.26 0.83 0.00 -1.19 -5.00 105.19 102.94 1fjd n GLY 83 Ca 0.11 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.66 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 0.78 -2.77 -3.75 1.61 7.02 -1.26 -3.83 117.44 115.24 1fjd n TRP 84 Ca 0.00 0.45 -0.12 0.00 -1.02 0.00 0.00 57.50 56.81 1fjd n TRP 84 Cb 0.00 -1.70 -0.12 0.00 -2.42 0.00 0.00 31.31 27.07 1fjd n TRP 84 CO 0.00 0.00 0.00 1.41 -2.02 0.00 0.00 177.69 177.08 1fjd s MET 85 N -1.09 0.27 0.08 -0.99 1.75 -0.83 -4.88 119.30 113.61 1fjd s MET 85 Ca 0.58 0.46 0.06 0.00 -1.25 0.00 0.00 55.69 55.53 1fjd s MET 85 Cb -0.49 0.03 -0.03 0.00 2.84 0.00 0.00 34.83 37.18 1fjd s MET 85 CO 0.65 -0.10 -0.15 0.95 -0.65 0.00 0.00 175.02 175.73 1fjd s THR 86 N 0.68 1.22 -0.64 10.11 -4.23 -1.25 -2.49 115.64 119.04 1fjd s THR 86 Ca -0.04 -1.36 -0.32 0.00 -1.18 0.00 0.00 61.69 58.79 1fjd s THR 86 Cb -0.06 -1.16 -0.15 0.00 1.34 0.00 0.00 72.50 72.47 1fjd s THR 86 CO -0.04 -0.20 2.43 -1.14 -0.54 0.00 0.00 174.62 175.12 1fjd n ARG 87 N 1.23 0.56 0.00 3.99 0.00 -1.24 -2.86 116.66 118.34 1fjd n ARG 87 Ca -0.21 0.08 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 1fjd n ARG 87 Cb 0.54 -2.25 0.00 0.00 0.00 0.00 0.00 32.46 30.75 1fjd n ARG 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1fjd n GLY 88 N 6.50 0.37 0.22 5.14 0.00 -1.26 -4.91 105.19 111.25 1fjd n GLY 88 Ca 0.51 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.81 1fjd n GLY 88 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fjd h SER 89 N 0.00 0.00 -0.02 1.61 0.02 -1.96 -3.44 113.55 109.76 1fjd h SER 89 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fjd h SER 89 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1fjd h SER 89 CO 0.00 0.00 0.00 0.80 -1.14 0.00 0.00 176.83 176.49 1fjd n MET 90 N -2.92 0.94 0.00 3.45 0.00 -1.26 -5.01 117.12 112.33 1fjd n MET 90 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.73 1fjd n MET 90 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.61 1fjd n MET 90 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1fjd n VAL 91 N -0.99 0.00 0.00 1.12 0.24 -1.26 -5.04 118.33 112.39 1fjd n VAL 91 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1fjd n VAL 91 Cb 0.00 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.71 1fjd n VAL 91 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fjd n GLY 92 N 2.29 0.75 0.29 7.63 0.00 -1.26 -4.90 105.19 109.99 1fjd n GLY 92 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 0.46 0.48 1.61 0.13 -1.95 -1.91 132.00 130.82 1fjd h PRO 93 Ca 0.00 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 1fjd h PRO 93 Cb 0.00 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.04 1fjd h PRO 93 CO 0.00 0.38 -0.23 0.35 -0.23 0.00 0.00 178.00 178.26 1fjd h PHE 94 N 0.46 -0.60 -0.57 1.56 3.04 -1.90 -3.08 116.94 115.85 1fjd h PHE 94 Ca 0.12 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.12 1fjd h PHE 94 Cb 0.08 0.20 -0.06 0.00 2.56 0.00 0.00 35.95 38.73 1fjd h PHE 94 CO 0.00 -0.28 0.25 0.37 -2.02 0.00 0.00 178.31 176.64 1fjd h GLN 95 N -0.91 0.46 -0.78 1.11 4.15 -1.92 0.20 115.11 117.43 1fjd h GLN 95 Ca -0.07 -0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.45 1fjd h GLN 95 Cb 0.59 -0.10 -0.13 0.00 0.21 0.00 0.00 27.48 28.04 1fjd h GLN 95 CO 0.11 0.30 -0.37 0.93 -1.93 0.00 0.00 178.83 177.87 1fjd h GLU 96 N 0.47 -0.09 0.00 1.69 5.08 -1.31 -0.49 114.58 119.93 1fjd h GLU 96 Ca 0.27 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1fjd h GLU 96 Cb 0.25 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1fjd h GLU 96 CO -0.23 -0.06 0.00 0.00 -1.00 0.00 0.00 179.01 177.73 1fjd n ALA 97 N -3.29 0.00 -0.10 3.43 0.00 -0.91 -3.79 120.51 115.84 1fjd n ALA 97 Ca 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 1fjd n ALA 97 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 1fjd n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fjd n ALA 98 N -1.86 -0.16 -0.26 0.00 0.00 0.67 0.25 120.51 119.15 1fjd n ALA 98 Ca 0.00 0.21 0.32 0.00 0.00 0.00 0.00 53.44 53.98 1fjd n ALA 98 Cb 0.00 0.28 0.63 0.00 0.00 0.00 0.00 19.45 20.36 1fjd n ALA 98 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1fjd h PHE 99 N 0.00 0.00 0.00 0.00 3.57 -1.16 1.66 116.94 121.01 1fjd h PHE 99 Ca 0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1fjd h PHE 99 Cb 0.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.84 1fjd h PHE 99 CO -0.84 0.00 -1.67 0.00 -2.23 0.00 0.00 178.31 173.56 1fjd n ALA 100 N -2.48 2.81 -1.87 2.41 0.00 0.69 -4.88 120.51 117.20 1fjd n ALA 100 Ca 0.24 -0.44 -0.43 0.00 0.00 0.00 0.00 53.44 52.81 1fjd n ALA 100 Cb 1.38 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 -4.68 3.84 0.38 0.00 1.43 0.56 -4.93 118.68 115.29 1fjd s LEU 101 Ca -0.05 1.88 -0.28 0.00 -1.03 0.00 0.00 54.13 54.65 1fjd s LEU 101 Cb 0.13 -3.52 -0.11 0.00 0.03 0.00 0.00 46.19 42.71 1fjd s LEU 101 CO 0.87 -1.46 1.47 -0.81 0.23 0.00 0.00 176.35 176.65 1fjd n PRO 102 N 8.03 2.59 -1.45 1.29 -0.04 -1.26 -4.68 135.00 139.48 1fjd n PRO 102 Ca 0.23 0.91 -0.42 0.00 -0.04 0.00 0.00 63.50 64.18 1fjd n PRO 102 Cb 0.44 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1fjd n PRO 102 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1fjd n VAL 103 N 0.36 1.72 0.00 0.52 3.14 -1.26 -4.49 118.33 118.32 1fjd n VAL 103 Ca 0.02 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.90 1fjd n VAL 103 Cb 0.39 -0.51 0.00 0.00 -1.06 0.00 0.00 33.84 32.65 1fjd n VAL 103 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1fjd n SER 104 N 1.35 0.00 0.00 6.55 7.64 0.10 -4.81 113.62 124.46 1fjd n SER 104 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1fjd n SER 104 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 -0.76 7.00 0.23 0.00 -1.26 -4.74 105.19 105.67 1fjd n GLY 105 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.75 0.00 -2.66 1.61 0.00 -1.26 -4.40 117.12 109.65 1fjd n MET 106 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.70 57.67 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 9.90 -1.17 0.10 6.12 2.03 -1.26 -4.60 116.55 127.67 1fjd n ASP 107 Ca 0.00 -1.78 0.00 0.00 0.52 0.00 0.00 54.79 53.53 1fjd n ASP 107 Cb 0.00 1.12 0.00 0.00 -0.72 0.00 0.00 41.12 41.52 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 0.48 0.00 -0.22 -0.67 4.81 -1.26 -4.95 118.16 116.35 1fjd n LYS 108 Ca -0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.33 1fjd n LYS 108 Cb 0.76 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.87 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 0.00 0.75 0.00 1.64 0.13 -1.96 -3.43 132.00 129.13 1fjd h PRO 109 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1fjd h PRO 109 Cb 0.00 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 30.96 1fjd h PRO 109 CO 0.00 0.50 0.00 1.55 -0.23 0.00 0.00 178.00 179.82 1fjd n VAL 110 N -4.71 0.00 0.00 1.56 3.14 -1.26 -4.98 118.33 112.09 1fjd n VAL 110 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1fjd n VAL 110 Cb 0.07 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 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 -1.15 0.00 -0.43 1.45 3.72 -1.26 -5.01 117.46 114.78 1fjd n PHE 111 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1fjd n PHE 111 Cb 0.00 0.00 0.15 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.33 0.00 -2.74 4.37 5.66 -1.26 -4.95 114.28 114.04 1fjd n THR 112 Ca 0.00 -0.12 -0.41 0.00 -3.05 0.00 0.00 64.05 60.47 1fjd n THR 112 Cb 0.00 -0.81 -0.05 0.00 -1.55 0.00 0.00 70.33 67.92 1fjd n THR 112 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1fjd s ASP 113 N -2.87 7.55 0.08 1.09 1.47 -1.26 -4.95 116.67 117.78 1fjd s ASP 113 Ca 0.39 1.85 -0.36 0.00 1.18 0.00 0.00 52.55 55.61 1fjd s ASP 113 Cb -0.05 -2.59 -0.18 0.00 -0.34 0.00 0.00 42.92 39.76 1fjd s ASP 113 CO 0.31 0.02 1.57 1.55 0.68 0.00 0.00 175.17 179.30 1fjd h PRO 114 N 5.05 -1.01 -5.01 2.11 0.13 -1.87 -3.33 132.00 128.07 1fjd h PRO 114 Ca -0.44 0.07 -0.38 0.00 -0.87 0.00 0.00 66.00 64.38 1fjd h PRO 114 Cb 1.21 0.23 0.10 0.00 0.13 0.00 0.00 31.00 32.66 1fjd h PRO 114 CO 0.70 -0.67 1.00 -0.35 -0.23 0.00 0.00 178.00 178.45 1fjd n PRO 115 N -5.58 0.01 -3.36 1.56 -0.04 -1.08 -2.97 135.00 123.55 1fjd n PRO 115 Ca -0.13 -0.92 -0.32 0.00 -0.04 0.00 0.00 63.50 62.09 1fjd n PRO 115 Cb 0.47 -2.44 -0.05 0.00 -0.04 0.00 0.00 33.50 31.43 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 7.79 4.89 -0.09 0.52 -7.23 0.29 -4.03 120.40 122.54 1fjd s VAL 116 Ca 0.58 0.55 -0.05 0.00 -1.81 0.00 0.00 61.98 61.24 1fjd s VAL 116 Cb 0.09 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.37 1fjd s VAL 116 CO 0.26 -0.10 0.13 -0.75 -0.31 0.00 0.00 175.10 174.33 1fjd s LYS 117 N -2.86 3.36 0.00 4.82 2.20 -1.25 0.89 119.74 126.89 1fjd s LYS 117 Ca 0.49 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1fjd s LYS 117 Cb -0.11 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 33.11 1fjd s LYS 117 CO 0.21 0.74 0.00 -2.37 -0.36 0.00 0.00 175.35 173.57 1fjd n THR 118 N 1.74 0.00 0.00 3.43 5.66 -1.24 -4.91 114.28 118.95 1fjd n THR 118 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 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 -2.27 1.09 4.81 -1.26 -4.89 118.16 115.64 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 0.05 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 -1.54 1.07 0.00 5.64 3.72 -1.26 -5.11 117.46 119.98 1fjd n PHE 120 Ca 0.00 -1.71 0.00 0.00 -0.05 0.00 0.00 57.45 55.69 1fjd n PHE 120 Cb 0.00 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 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 -0.37 0.48 3.79 1.37 0.00 -1.26 -4.81 105.19 104.39 1fjd n GLY 121 Ca 0.12 -2.13 -0.39 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.44 3.74 0.00 1.61 2.02 -1.26 -3.64 117.35 119.38 1fjd s TYR 122 Ca 0.00 1.18 0.04 0.00 -0.37 0.00 0.00 57.07 57.93 1fjd s TYR 122 Cb 0.00 -2.51 -0.01 0.00 -0.40 0.00 0.00 41.96 39.04 1fjd s TYR 122 CO 0.00 0.49 -0.14 -1.01 -1.57 0.00 0.00 175.55 173.33 1fjd s HIS 123 N -0.70 1.23 -0.51 2.71 3.76 0.26 -4.11 115.29 117.93 1fjd s HIS 123 Ca 0.29 -0.26 -0.22 0.00 -0.15 0.00 0.00 55.06 54.71 1fjd s HIS 123 Cb -0.18 -0.78 0.04 0.00 1.11 0.00 0.00 32.58 32.77 1fjd s HIS 123 CO 0.17 -0.01 0.80 0.42 -0.85 0.00 0.00 174.74 175.27 1fjd s ILE 124 N -0.45 4.61 -0.15 0.60 1.01 0.43 0.11 121.20 127.36 1fjd s ILE 124 Ca 0.04 0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.58 1fjd s ILE 124 Cb -0.06 -4.40 -0.03 0.00 0.01 0.00 0.00 42.46 37.98 1fjd s ILE 124 CO -0.00 -0.91 0.59 -0.63 0.00 0.00 0.00 174.94 173.99 1fjd s ILE 125 N 3.36 5.08 -0.19 2.92 1.01 -1.16 -2.43 121.20 129.79 1fjd s ILE 125 Ca 0.25 1.15 0.01 0.00 0.00 0.00 0.00 60.65 62.07 1fjd s ILE 125 Cb -0.14 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.44 1fjd s ILE 125 CO 0.18 0.20 -0.14 -0.32 0.00 0.00 0.00 174.94 174.86 1fjd s MET 126 N 1.34 2.39 0.22 2.79 -2.45 0.85 -4.61 119.30 119.84 1fjd s MET 126 Ca 0.29 -0.85 -0.12 0.00 -1.25 0.00 0.00 55.69 53.76 1fjd s MET 126 Cb -0.16 -2.46 -0.07 0.00 1.25 0.00 0.00 34.83 33.39 1fjd s MET 126 CO 0.12 -0.34 0.58 0.08 1.05 0.00 0.00 175.02 176.50 1fjd s VAL 127 N 1.34 4.87 -0.37 10.11 1.01 -1.23 0.55 120.40 136.69 1fjd s VAL 127 Ca 0.01 0.65 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1fjd s VAL 127 Cb -0.15 -3.65 0.15 0.00 0.00 0.00 0.00 36.38 32.73 1fjd s VAL 127 CO -0.10 0.01 0.33 -0.70 0.00 0.00 0.00 175.10 174.64 1fjd s GLU 128 N -2.58 0.62 0.00 2.72 2.12 0.85 0.03 118.70 122.46 1fjd s GLU 128 Ca 0.46 -1.02 0.00 0.00 0.36 0.00 0.00 54.97 54.77 1fjd s GLU 128 Cb -0.12 -0.89 0.00 0.00 0.26 0.00 0.00 34.13 33.38 1fjd s GLU 128 CO 0.20 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.13 1fjd n GLY 129 N 4.15 -1.02 3.51 -1.50 0.00 -1.26 -2.88 105.19 106.19 1fjd n GLY 129 Ca 0.12 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 1fjd n GLY 129 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fjd s ARG 130 N -1.10 1.75 0.00 1.61 3.52 -1.26 -1.88 118.95 121.61 1fjd s ARG 130 Ca 0.00 -1.98 0.00 0.00 -0.13 0.00 0.00 55.73 53.62 1fjd s ARG 130 Cb 0.00 -1.12 0.00 0.00 -1.56 0.00 0.00 34.95 32.27 1fjd s ARG 130 CO 0.00 -0.15 0.00 0.36 -0.81 0.00 0.00 175.30 174.70