#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df1 s VAL 2 N 0.00 4.32 0.22 1.12 0.11 -1.26 0.90 120.40 125.81 3df1 s VAL 2 Ca 0.00 1.60 0.02 0.00 -2.93 0.00 0.00 61.98 60.68 3df1 s VAL 2 Cb 0.00 -4.03 -0.01 0.00 -1.53 0.00 0.00 36.38 30.81 3df1 s VAL 2 CO 0.00 -0.13 0.09 0.35 -3.33 0.00 0.00 175.10 172.08 3df1 n THR 3 N 5.30 0.00 -3.65 5.04 -2.24 0.30 -1.77 114.28 117.26 3df1 n THR 3 Ca 0.13 -1.30 -0.29 0.00 -2.27 0.00 0.00 64.05 60.33 3df1 n THR 3 Cb 0.45 0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 69.02 3df1 n THR 3 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3df1 s ILE 4 N -2.42 0.36 0.00 2.28 1.01 -1.22 -0.58 121.20 120.63 3df1 s ILE 4 Ca 0.13 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.89 3df1 s ILE 4 Cb 0.01 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 41.29 3df1 s ILE 4 CO 0.09 -0.57 0.00 -2.11 0.00 0.00 0.00 174.94 172.35 3df1 n ARG 5 N 5.08 3.23 -4.29 2.79 1.85 -1.16 -1.46 116.66 122.69 3df1 n ARG 5 Ca -0.05 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.64 3df1 n ARG 5 Cb 0.44 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.75 3df1 n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3df1 s LEU 6 N 0.00 2.41 -0.03 2.89 1.02 -1.26 -2.37 118.68 121.34 3df1 s LEU 6 Ca 0.00 -1.09 -0.00 0.00 0.02 0.00 0.00 54.13 53.05 3df1 s LEU 6 Cb 0.00 -0.36 0.03 0.00 0.02 0.00 0.00 46.19 45.88 3df1 s LEU 6 CO 0.00 -0.38 0.03 0.00 0.02 0.00 0.00 176.35 176.01 3df1 s ALA 7 N -3.32 0.16 -0.81 4.21 0.00 -1.05 -4.83 121.76 116.11 3df1 s ALA 7 Ca 0.22 0.26 -0.25 0.00 0.00 0.00 0.00 51.96 52.18 3df1 s ALA 7 Cb 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3df1 s ALA 7 CO 0.04 -0.16 1.82 0.50 0.00 0.00 0.00 175.76 177.96 3df1 s ARG 8 N 1.24 2.74 -0.26 0.00 3.52 -1.26 -1.15 118.95 123.77 3df1 s ARG 8 Ca -0.07 -0.10 0.13 0.00 -0.13 0.00 0.00 55.73 55.55 3df1 s ARG 8 Cb -0.13 -4.83 0.72 0.00 -1.56 0.00 0.00 34.95 29.15 3df1 s ARG 8 CO -0.03 -2.96 1.70 0.72 -0.81 0.00 0.00 175.30 173.92 3df1 n HIS 9 N 12.71 1.96 -2.81 5.12 8.25 -1.25 -4.82 115.22 134.39 3df1 n HIS 9 Ca 0.31 -1.00 -0.09 0.00 -0.26 0.00 0.00 57.72 56.68 3df1 n HIS 9 Cb 0.49 -0.55 0.04 0.00 1.12 0.00 0.00 29.99 31.09 3df1 n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3df1 n GLY 10 N -0.02 1.53 0.00 -1.41 0.00 -1.26 -4.74 105.19 99.29 3df1 n GLY 10 Ca 0.32 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3df1 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df1 n ALA 11 N -2.80 0.00 -2.36 4.61 0.00 0.10 -4.80 120.51 115.27 3df1 n ALA 11 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 3df1 n ALA 11 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 3df1 n ALA 11 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3df1 s LYS 12 N -2.47 4.38 0.00 0.00 2.36 -1.26 -2.67 119.74 120.09 3df1 s LYS 12 Ca 0.00 1.84 0.00 0.00 -2.55 0.00 0.00 55.97 55.26 3df1 s LYS 12 Cb 0.00 -3.38 0.00 0.00 -1.05 0.00 0.00 37.83 33.40 3df1 s LYS 12 CO 0.00 -0.35 0.00 1.63 1.55 0.00 0.00 175.35 178.18 3df1 n LYS 13 N 4.25 0.00 -3.89 4.03 5.02 -1.26 -4.85 118.16 121.46 3df1 n LYS 13 Ca 0.10 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.10 3df1 n LYS 13 Cb 0.45 -2.80 -0.12 0.00 -0.02 0.00 0.00 35.03 32.54 3df1 n LYS 13 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3df1 s ARG 14 N 0.00 2.41 1.28 1.97 0.52 -1.09 -5.10 118.95 118.95 3df1 s ARG 14 Ca 0.00 -3.16 -0.21 0.00 -0.52 0.00 0.00 55.73 51.84 3df1 s ARG 14 Cb 0.00 -3.45 0.32 0.00 0.52 0.00 0.00 34.95 32.34 3df1 s ARG 14 CO 0.00 -1.24 1.07 -1.25 0.02 0.00 0.00 175.30 173.90 3df1 s PRO 15 N -1.15 -1.87 -0.38 3.54 0.04 -1.26 0.01 135.00 133.93 3df1 s PRO 15 Ca 0.23 -0.13 0.08 0.00 0.04 0.00 0.00 61.00 61.22 3df1 s PRO 15 Cb -0.10 -1.53 0.34 0.00 0.04 0.00 0.00 34.50 33.25 3df1 s PRO 15 CO -0.12 -4.13 1.31 0.34 0.04 0.00 0.00 177.00 174.45 3df1 n PHE 16 N -5.04 -2.12 -1.40 0.56 -0.00 -1.26 -4.49 117.46 103.71 3df1 n PHE 16 Ca 0.15 -1.71 -0.49 0.00 -0.00 0.00 0.00 57.45 55.40 3df1 n PHE 16 Cb 0.60 1.53 -0.13 0.00 -0.00 0.00 0.00 39.48 41.48 3df1 n PHE 16 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 3df1 n TYR 17 N -0.62 0.87 -3.50 -5.13 4.02 -1.24 -3.76 117.16 107.81 3df1 n TYR 17 Ca -0.07 0.52 -0.38 0.00 -0.01 0.00 0.00 57.90 57.96 3df1 n TYR 17 Cb 0.82 -2.36 -0.10 0.00 -0.02 0.00 0.00 39.34 37.68 3df1 n TYR 17 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 3df1 s GLN 18 N 7.66 4.02 0.59 -0.72 0.74 -0.30 -2.23 119.66 129.42 3df1 s GLN 18 Ca 1.27 -0.11 -0.19 0.00 0.05 0.00 0.00 55.36 56.39 3df1 s GLN 18 Cb -1.31 -3.63 -0.04 0.00 1.10 0.00 0.00 33.01 29.13 3df1 s GLN 18 CO 0.55 -0.17 1.17 0.08 -0.55 0.00 0.00 175.29 176.37 3df1 s VAL 19 N 1.75 2.84 -0.29 1.34 1.01 -1.20 -2.53 120.40 123.30 3df1 s VAL 19 Ca 0.12 0.50 -0.22 0.00 0.00 0.00 0.00 61.98 62.38 3df1 s VAL 19 Cb -0.15 -3.17 0.18 0.00 0.00 0.00 0.00 36.38 33.23 3df1 s VAL 19 CO 0.09 -0.13 1.26 0.54 0.00 0.00 0.00 175.10 176.87 3df1 s VAL 20 N -1.73 0.00 -0.24 2.92 0.11 -1.00 -3.48 120.40 116.98 3df1 s VAL 20 Ca 0.75 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.51 3df1 s VAL 20 Cb -0.27 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.59 3df1 s VAL 20 CO 0.32 0.00 1.02 -0.69 -3.33 0.00 0.00 175.10 172.42 3df1 s VAL 21 N 0.45 4.67 0.27 2.04 1.01 -0.10 -3.01 120.40 125.73 3df1 s VAL 21 Ca 0.01 1.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.93 3df1 s VAL 21 Cb -0.04 -4.30 0.00 0.00 0.00 0.00 0.00 36.38 32.04 3df1 s VAL 21 CO -0.12 -0.21 0.36 0.00 0.00 0.00 0.00 175.10 175.12 3df1 n ALA 22 N 6.36 -0.18 -2.43 5.51 0.00 0.26 0.30 120.51 130.33 3df1 n ALA 22 Ca 0.11 -1.26 -0.34 0.00 0.00 0.00 0.00 53.44 51.96 3df1 n ALA 22 Cb 0.46 1.01 -0.06 0.00 0.00 0.00 0.00 19.45 20.87 3df1 n ALA 22 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3df1 s ASP 23 N -2.66 6.70 0.00 0.00 -1.08 -1.26 0.11 116.67 118.48 3df1 s ASP 23 Ca 0.23 0.95 0.00 0.00 -0.52 0.00 0.00 52.55 53.21 3df1 s ASP 23 Cb -0.01 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 3df1 s ASP 23 CO 0.16 0.05 0.95 -0.24 0.52 0.00 0.00 175.17 176.61 3df1 n SER 24 N 0.44 0.00 -0.34 -0.34 2.88 0.26 -2.39 113.62 114.13 3df1 n SER 24 Ca -0.03 0.95 0.14 0.00 -1.33 0.00 0.00 58.87 58.60 3df1 n SER 24 Cb 0.52 -0.45 0.28 0.00 -0.75 0.00 0.00 64.21 63.81 3df1 n SER 24 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3df1 h ARG 25 N 0.00 0.01 -6.27 -1.46 -0.00 -1.96 -3.40 114.38 101.30 3df1 h ARG 25 Ca 0.00 -0.00 -0.68 0.00 -0.50 0.00 0.00 59.98 58.80 3df1 h ARG 25 Cb 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 29.97 30.01 3df1 h ARG 25 CO 0.00 0.01 0.65 0.09 0.00 0.00 0.00 179.97 180.72 3df1 n ASN 26 N -5.49 2.14 -4.72 7.04 5.03 -1.01 -4.89 115.26 113.37 3df1 n ASN 26 Ca 0.22 1.09 -0.37 0.00 0.87 0.00 0.00 54.58 56.40 3df1 n ASN 26 Cb 0.73 -1.22 0.07 0.00 -1.02 0.00 0.00 39.78 38.34 3df1 n ASN 26 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3df1 n ALA 27 N 3.62 1.09 -0.39 5.41 0.00 -1.26 -4.84 120.51 124.14 3df1 n ALA 27 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3df1 n ALA 27 Cb 0.20 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.33 3df1 n ALA 27 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3df1 n ARG 28 N -1.93 0.00 0.00 0.00 -4.01 -1.26 0.73 116.66 110.19 3df1 n ARG 28 Ca 0.16 0.77 0.00 0.00 -1.04 0.00 0.00 57.85 57.74 3df1 n ARG 28 Cb 0.48 -1.26 0.00 0.00 -3.04 0.00 0.00 32.46 28.64 3df1 n ARG 28 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 3df1 n ASN 29 N -2.16 0.03 -2.16 2.89 3.02 -1.26 -4.76 115.26 110.86 3df1 n ASN 29 Ca 0.00 -1.36 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 3df1 n ASN 29 Cb 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 3df1 n ASN 29 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3df1 n GLY 30 N 0.18 0.28 3.69 7.41 0.00 0.22 -5.02 105.19 111.95 3df1 n GLY 30 Ca 0.00 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.93 3df1 n GLY 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3df1 n ARG 31 N 0.00 1.05 -3.81 1.61 0.63 -1.26 -4.89 116.66 109.99 3df1 n ARG 31 Ca 0.00 0.41 -0.09 0.00 -0.92 0.00 0.00 57.85 57.25 3df1 n ARG 31 Cb 0.00 -2.40 -0.07 0.00 0.45 0.00 0.00 32.46 30.44 3df1 n ARG 31 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3df1 s PHE 32 N -1.43 0.06 0.00 -0.14 -0.71 -1.26 -4.63 117.98 109.87 3df1 s PHE 32 Ca 0.80 -0.43 0.00 0.00 -1.04 0.00 0.00 56.93 56.26 3df1 s PHE 32 Cb -0.39 0.01 0.00 0.00 -1.21 0.00 0.00 43.02 41.42 3df1 s PHE 32 CO 0.43 -0.56 0.22 -0.89 -1.34 0.00 0.00 175.22 173.08 3df1 n ILE 33 N 0.03 0.00 -4.08 -4.49 5.41 0.15 -4.94 119.36 111.45 3df1 n ILE 33 Ca -0.16 0.51 -0.18 0.00 1.00 0.00 0.00 62.75 63.92 3df1 n ILE 33 Cb 0.62 -1.09 -0.16 0.00 -0.71 0.00 0.00 39.64 38.30 3df1 n ILE 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3df1 s GLU 34 N -0.83 0.54 -0.66 0.38 -1.05 -0.76 -5.00 118.70 111.32 3df1 s GLU 34 Ca 0.00 -0.05 -0.27 0.00 -0.15 0.00 0.00 54.97 54.50 3df1 s GLU 34 Cb 0.00 -0.61 0.00 0.00 -0.44 0.00 0.00 34.13 33.09 3df1 s GLU 34 CO 0.00 -0.06 1.59 0.50 0.95 0.00 0.00 175.26 178.24 3df1 s ARG 35 N 0.73 2.91 -0.28 -4.83 3.00 -1.26 -0.93 118.95 118.29 3df1 s ARG 35 Ca -0.08 0.24 -0.09 0.00 -1.00 0.00 0.00 55.73 54.80 3df1 s ARG 35 Cb -0.12 -4.28 -0.02 0.00 0.00 0.00 0.00 34.95 30.53 3df1 s ARG 35 CO -0.01 -2.43 0.11 0.54 0.00 0.00 0.00 175.30 173.51 3df1 s VAL 36 N 7.46 4.53 0.22 7.11 0.11 -1.23 -4.95 120.40 133.66 3df1 s VAL 36 Ca 0.52 -0.23 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 3df1 s VAL 36 Cb -0.11 -3.20 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 3df1 s VAL 36 CO 0.18 0.23 0.00 0.61 -3.33 0.00 0.00 175.10 172.79 3df1 n GLY 37 N 4.96 -1.25 0.00 6.54 0.00 -1.26 -3.81 105.19 110.37 3df1 n GLY 37 Ca -0.15 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3df1 n GLY 37 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3df1 n PHE 38 N -2.99 -0.36 -3.72 1.61 1.16 -1.26 -3.27 117.46 108.62 3df1 n PHE 38 Ca 0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.52 3df1 n PHE 38 Cb 0.61 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.46 3df1 n PHE 38 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 3df1 s PHE 39 N -4.57 -0.24 -0.30 2.97 5.36 -0.95 -1.91 117.98 118.34 3df1 s PHE 39 Ca 0.00 -0.10 -0.06 0.00 -0.96 0.00 0.00 56.93 55.81 3df1 s PHE 39 Cb 0.00 0.65 0.16 0.00 -0.34 0.00 0.00 43.02 43.49 3df1 s PHE 39 CO 0.00 -0.98 0.65 1.21 -1.46 0.00 0.00 175.22 174.63 3df1 s ASN 40 N -2.86 -1.23 -0.06 6.13 2.47 -0.05 -4.03 114.94 115.31 3df1 s ASN 40 Ca 0.09 1.21 0.03 0.00 0.42 0.00 0.00 52.86 54.61 3df1 s ASN 40 Cb -0.03 2.21 0.21 0.00 -1.45 0.00 0.00 41.25 42.18 3df1 s ASN 40 CO 0.01 -0.23 0.83 -0.81 -3.72 0.00 0.00 177.10 173.17 3df1 n PRO 41 N 5.43 1.98 0.00 0.43 -0.04 -1.26 -4.63 135.00 136.91 3df1 n PRO 41 Ca -0.07 -0.80 0.00 0.00 -0.04 0.00 0.00 63.50 62.59 3df1 n PRO 41 Cb 0.50 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 3df1 n PRO 41 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3df1 n ILE 42 N 0.16 0.00 -3.36 0.52 2.08 -1.26 -5.07 119.36 112.42 3df1 n ILE 42 Ca 0.07 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.38 3df1 n ILE 42 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.39 3df1 n ILE 42 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3df1 n ALA 43 N -3.00 0.00 0.00 -1.39 0.00 -1.26 -4.60 120.51 110.26 3df1 n ALA 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3df1 n ALA 43 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3df1 n ALA 43 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3df1 n SER 44 N 2.69 0.00 -3.63 0.00 3.41 -1.26 -4.92 113.62 109.92 3df1 n SER 44 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 3df1 n SER 44 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3df1 n SER 44 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3df1 n GLU 45 N 0.00 -4.86 -0.30 4.33 0.00 -1.26 -4.77 120.64 113.77 3df1 n GLU 45 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 57.16 57.77 3df1 n GLU 45 Cb 0.00 -5.45 0.00 0.00 0.00 0.00 0.00 31.44 25.99 3df1 n GLU 45 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 3df1 n LYS 46 N -4.33 0.69 -0.52 5.31 2.85 -1.26 -4.63 118.16 116.26 3df1 n LYS 46 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3df1 n LYS 46 Cb 0.54 -1.16 0.00 0.00 -0.65 0.00 0.00 35.03 33.77 3df1 n LYS 46 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3df1 n GLU 47 N 1.54 -0.29 -3.92 -1.58 -0.58 -1.26 -4.82 120.64 109.73 3df1 n GLU 47 Ca 0.00 0.07 -0.10 0.00 -0.42 0.00 0.00 57.16 56.71 3df1 n GLU 47 Cb 0.34 -4.29 -0.06 0.00 -0.57 0.00 0.00 31.44 26.87 3df1 n GLU 47 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 3df1 s GLU 48 N -1.05 1.27 0.00 3.49 2.56 -1.26 -5.02 118.70 118.69 3df1 s GLU 48 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 54.97 53.84 3df1 s GLU 48 Cb 0.00 0.42 0.00 0.00 2.00 0.00 0.00 34.13 36.55 3df1 s GLU 48 CO 0.00 -0.49 0.00 0.41 -0.56 0.00 0.00 175.26 174.62 3df1 n GLY 49 N -0.27 0.00 3.63 -1.50 0.00 -1.26 -4.66 105.19 101.13 3df1 n GLY 49 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 3df1 n GLY 49 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3df1 s THR 50 N 0.00 0.00 0.00 2.61 2.01 -1.26 -0.88 115.64 118.12 3df1 s THR 50 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3df1 s THR 50 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 3df1 s THR 50 CO 0.00 0.00 0.00 0.54 -0.69 0.00 0.00 174.62 174.47 3df1 n ARG 51 N 2.68 0.69 0.00 4.92 3.00 -0.81 -4.97 116.66 122.18 3df1 n ARG 51 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.70 3df1 n ARG 51 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.01 3df1 n ARG 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3df1 n LEU 52 N 0.00 0.00 -3.70 0.55 7.94 -1.26 -4.19 117.00 116.34 3df1 n LEU 52 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 3df1 n LEU 52 Cb 0.00 0.00 0.04 0.00 0.53 0.00 0.00 43.42 43.99 3df1 n LEU 52 CO 0.00 0.00 -0.04 -0.67 -1.11 0.00 0.00 177.39 175.57 3df1 n ASP 53 N -0.34 -1.63 -0.08 1.96 4.64 -1.26 -4.03 116.55 115.81 3df1 n ASP 53 Ca 0.00 -0.80 -0.01 0.00 -1.38 0.00 0.00 54.79 52.61 3df1 n ASP 53 Cb 0.00 -4.12 0.00 0.00 -1.04 0.00 0.00 41.12 35.96 3df1 n ASP 53 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3df1 n LEU 54 N -4.31 -0.14 -0.28 -2.67 4.77 -1.26 -0.84 117.00 112.26 3df1 n LEU 54 Ca -0.26 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 3df1 n LEU 54 Cb 0.66 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.60 3df1 n LEU 54 CO 0.68 -0.31 0.49 0.44 -1.33 0.00 0.00 177.39 177.36 3df1 h ASP 55 N 0.00 -1.66 -0.49 -1.43 5.19 -1.96 0.42 116.42 116.49 3df1 h ASP 55 Ca 0.06 0.25 0.04 0.00 -0.62 0.00 0.00 57.03 56.76 3df1 h ASP 55 Cb 0.11 0.72 -0.04 0.00 0.18 0.00 0.00 39.33 40.30 3df1 h ASP 55 CO -0.20 -0.21 0.25 0.03 -3.12 0.00 0.00 179.24 175.99 3df1 h ARG 56 N -0.07 0.47 -0.38 3.56 2.47 -1.31 -2.15 114.38 116.97 3df1 h ARG 56 Ca 0.11 -0.03 0.07 0.00 -1.26 0.00 0.00 59.98 58.88 3df1 h ARG 56 Cb 0.36 -0.11 -0.07 0.00 -1.65 0.00 0.00 29.97 28.50 3df1 h ARG 56 CO -0.68 0.31 -0.06 0.82 0.56 0.00 0.00 179.97 180.92 3df1 h ILE 57 N 0.49 0.66 -0.24 2.04 1.08 -0.99 -2.62 117.51 117.93 3df1 h ILE 57 Ca 0.22 -0.01 0.06 0.00 -0.39 0.00 0.00 64.86 64.73 3df1 h ILE 57 Cb 0.13 0.62 -0.07 0.00 -3.07 0.00 0.00 36.82 34.42 3df1 h ILE 57 CO -0.15 0.01 -0.35 0.00 -0.69 0.00 0.00 178.15 176.97 3df1 h ALA 58 N 1.36 -0.35 -0.25 1.87 0.00 0.40 -0.33 119.26 121.97 3df1 h ALA 58 Ca 0.18 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3df1 h ALA 58 Cb 0.27 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 3df1 h ALA 58 CO -0.36 -0.80 -0.48 1.25 0.00 0.00 0.00 179.25 178.87 3df1 h HIS 59 N -0.36 -1.40 0.05 0.00 -0.00 -1.12 -0.59 115.15 111.73 3df1 h HIS 59 Ca 0.12 0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.55 3df1 h HIS 59 Cb 0.56 0.65 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 3df1 h HIS 59 CO -0.48 -0.49 -0.02 -1.49 -0.00 0.00 0.00 177.93 175.45 3df1 h TRP 60 N -0.46 -0.06 -0.99 5.26 -0.00 -1.34 -2.51 115.95 115.86 3df1 h TRP 60 Ca 0.08 -0.00 0.14 0.00 -0.00 0.00 0.00 58.89 59.11 3df1 h TRP 60 Cb 0.63 0.02 -0.09 0.00 -0.00 0.00 0.00 29.16 29.72 3df1 h TRP 60 CO -0.59 0.00 0.62 0.28 -0.00 0.00 0.00 178.44 178.76 3df1 h VAL 61 N -0.11 0.85 0.00 1.49 2.07 -0.80 0.27 116.25 120.02 3df1 h VAL 61 Ca -0.01 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.21 3df1 h VAL 61 Cb 0.09 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 3df1 h VAL 61 CO 0.01 0.16 0.00 1.23 0.02 0.00 0.00 177.57 178.99 3df1 h GLY 62 N 0.89 0.00 -1.55 2.17 0.00 -0.89 -2.74 103.07 100.94 3df1 h GLY 62 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3df1 h GLY 62 CO -0.28 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.20 3df1 n GLN 63 N -2.36 2.05 0.00 4.80 6.02 0.92 -4.88 117.38 123.94 3df1 n GLN 63 Ca 0.03 -1.61 0.00 0.00 -0.01 0.00 0.00 57.00 55.41 3df1 n GLN 63 Cb 0.32 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.18 3df1 n GLN 63 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3df1 n GLY 64 N 1.26 1.17 3.67 1.08 0.00 -1.05 -5.07 105.19 106.25 3df1 n GLY 64 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3df1 n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3df1 s ALA 65 N -2.00 3.56 -1.21 4.61 0.00 -1.08 -4.56 121.76 121.09 3df1 s ALA 65 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 3df1 s ALA 65 Cb 0.00 -2.63 0.09 0.00 0.00 0.00 0.00 23.12 20.58 3df1 s ALA 65 CO 0.00 -0.32 1.58 0.99 0.00 0.00 0.00 175.76 178.01 3df1 s THR 66 N 1.36 4.31 -0.06 0.00 2.01 -0.73 -4.69 115.64 117.85 3df1 s THR 66 Ca 0.18 -1.83 -0.37 0.00 0.31 0.00 0.00 61.69 59.98 3df1 s THR 66 Cb -0.15 -5.09 -0.15 0.00 0.01 0.00 0.00 72.50 67.12 3df1 s THR 66 CO 0.08 -1.90 1.58 0.00 -0.69 0.00 0.00 174.62 173.70 3df1 n ILE 67 N 6.06 0.19 -0.97 1.82 0.13 -1.26 -3.45 119.36 121.88 3df1 n ILE 67 Ca 0.42 -0.03 -0.30 0.00 -1.10 0.00 0.00 62.75 61.73 3df1 n ILE 67 Cb 0.46 -1.19 0.15 0.00 -0.84 0.00 0.00 39.64 38.22 3df1 n ILE 67 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 3df1 s SER 68 N 2.09 3.24 0.03 9.51 1.04 -0.54 -4.87 113.70 124.21 3df1 s SER 68 Ca 0.90 1.80 -0.26 0.00 0.48 0.00 0.00 55.95 58.87 3df1 s SER 68 Cb -0.93 -2.41 -0.17 0.00 0.10 0.00 0.00 66.02 62.62 3df1 s SER 68 CO 0.53 -2.83 1.40 0.44 0.98 0.00 0.00 173.24 173.75 3df1 h ASP 69 N -1.68 -0.33 -0.05 7.02 3.32 -1.91 -2.45 116.42 120.34 3df1 h ASP 69 Ca -0.47 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 56.46 3df1 h ASP 69 Cb 1.27 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.88 3df1 h ASP 69 CO 0.49 -0.05 -0.07 -0.09 -1.72 0.00 0.00 179.24 177.80 3df1 h ARG 70 N -0.63 -0.10 -0.85 3.56 9.65 -1.95 -2.54 114.38 121.52 3df1 h ARG 70 Ca -0.04 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.92 3df1 h ARG 70 Cb 0.45 0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.98 3df1 h ARG 70 CO 0.07 -0.07 0.51 -0.24 2.80 0.00 0.00 179.97 183.04 3df1 h VAL 71 N -0.10 0.99 -0.82 0.20 3.04 -1.87 -1.52 116.25 116.17 3df1 h VAL 71 Ca 0.05 -0.31 0.13 0.00 -1.01 0.00 0.00 66.70 65.56 3df1 h VAL 71 Cb 0.17 0.01 -0.09 0.00 -2.01 0.00 0.00 31.29 29.37 3df1 h VAL 71 CO -0.11 0.16 0.42 0.00 -1.01 0.00 0.00 177.57 177.03 3df1 h ALA 72 N 1.43 1.20 -0.85 3.17 0.00 -1.02 0.40 119.26 123.58 3df1 h ALA 72 Ca 0.39 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.48 3df1 h ALA 72 Cb 0.26 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 3df1 h ALA 72 CO -0.20 -0.06 0.49 0.00 0.00 0.00 0.00 179.25 179.47 3df1 h ALA 73 N 1.52 1.23 -0.16 0.00 0.00 -1.03 -1.46 119.26 119.36 3df1 h ALA 73 Ca 0.43 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.38 3df1 h ALA 73 Cb 0.56 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3df1 h ALA 73 CO -0.33 0.09 0.10 -0.07 0.00 0.00 0.00 179.25 179.03 3df1 h LEU 74 N 0.79 0.19 -0.96 0.00 3.38 -0.86 0.17 115.31 118.03 3df1 h LEU 74 Ca 0.42 -0.05 0.14 0.00 0.09 0.00 0.00 57.88 58.49 3df1 h LEU 74 Cb 0.42 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.03 3df1 h LEU 74 CO -0.27 0.18 0.57 0.40 0.09 0.00 0.00 178.44 179.42 3df1 h ILE 75 N 0.19 0.81 0.21 1.22 2.04 -0.71 -1.23 117.51 120.04 3df1 h ILE 75 Ca 0.06 -0.28 -0.28 0.00 1.00 0.00 0.00 64.86 65.36 3df1 h ILE 75 Cb 0.02 -0.09 0.03 0.00 -0.74 0.00 0.00 36.82 36.05 3df1 h ILE 75 CO -0.01 0.15 -1.21 0.11 0.00 0.00 0.00 178.15 177.19 3df1 h LYS 76 N 0.83 0.45 -0.16 2.37 1.79 -1.09 -3.26 116.57 117.49 3df1 h LYS 76 Ca 0.51 -0.76 0.05 0.00 -2.18 0.00 0.00 60.65 58.26 3df1 h LYS 76 Cb 0.64 0.28 -0.01 0.00 -1.58 0.00 0.00 32.23 31.57 3df1 h LYS 76 CO -0.32 1.37 0.16 0.93 -1.08 0.00 0.00 179.45 180.50 3df1 h GLU 77 N -0.07 0.00 -5.36 3.15 5.08 -0.13 -3.39 114.58 113.87 3df1 h GLU 77 Ca -0.21 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.55 3df1 h GLU 77 Cb 1.96 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 31.10 3df1 h GLU 77 CO 0.23 0.00 -0.41 0.54 -1.00 0.00 0.00 179.01 178.37 3df1 s VAL 78 N -4.72 5.35 0.24 3.13 0.11 -0.51 -5.03 120.40 118.97 3df1 s VAL 78 Ca -0.05 0.37 -0.31 0.00 -2.93 0.00 0.00 61.98 59.06 3df1 s VAL 78 Cb 0.16 -3.55 -0.13 0.00 -1.53 0.00 0.00 36.38 31.32 3df1 s VAL 78 CO 0.58 0.40 1.46 0.59 -3.33 0.00 0.00 175.10 174.79 3df1 n ASN 79 N 3.65 2.97 -3.35 3.54 3.02 -1.26 -4.87 115.26 118.96 3df1 n ASN 79 Ca -0.14 1.14 -0.14 0.00 -0.03 0.00 0.00 54.58 55.41 3df1 n ASN 79 Cb 0.52 -1.45 -0.08 0.00 -0.61 0.00 0.00 39.78 38.16 3df1 n ASN 79 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3df1 s LYS 80 N -0.28 0.48 -0.03 3.52 2.20 -1.26 -4.96 119.74 119.41 3df1 s LYS 80 Ca 0.69 -0.32 0.08 0.00 -0.36 0.00 0.00 55.97 56.06 3df1 s LYS 80 Cb -0.63 -0.55 0.16 0.00 -1.51 0.00 0.00 37.83 35.30 3df1 s LYS 80 CO 0.48 -1.10 1.09 0.00 -0.36 0.00 0.00 175.35 175.46 3df1 n ALA 81 N 4.92 3.30 -0.80 3.13 0.00 -1.26 -5.14 120.51 124.66 3df1 n ALA 81 Ca 0.04 -1.21 0.00 0.00 0.00 0.00 0.00 53.44 52.27 3df1 n ALA 81 Cb 0.47 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.43 3df1 n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50