#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf5 n HIS 3 N 0.00 0.00 0.00 0.00 -0.00 -1.26 -5.07 115.22 108.89 3cf5 n HIS 3 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3cf5 n HIS 3 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3cf5 n HIS 3 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 3cf5 n LYS 4 N 0.00 0.00 0.00 -1.40 2.85 -1.26 -5.17 118.16 113.18 3cf5 n LYS 4 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3cf5 n LYS 4 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3cf5 n LYS 4 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3cf5 n LYS 5 N 0.00 0.56 -3.97 -1.58 4.01 -1.26 -5.13 118.16 110.79 3cf5 n LYS 5 Ca 0.00 0.00 -0.33 0.00 -0.51 0.00 0.00 58.31 57.47 3cf5 n LYS 5 Cb 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 35.03 34.38 3cf5 n LYS 5 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 3cf5 s GLY 6 N 0.00 1.82 0.00 0.72 0.00 -1.26 -5.03 107.32 103.57 3cf5 s GLY 6 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 44.72 42.60 3cf5 s GLY 6 CO 0.00 0.79 0.00 -0.62 0.00 0.00 0.00 173.10 173.27 3cf5 n VAL 7 N 4.45 0.00 -4.22 1.40 0.31 -1.26 -4.08 118.33 114.92 3cf5 n VAL 7 Ca -0.07 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.02 3cf5 n VAL 7 Cb 0.42 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.28 3cf5 n VAL 7 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3cf5 s GLY 8 N -0.84 1.64 -0.12 2.92 0.00 -1.26 -5.08 107.32 104.58 3cf5 s GLY 8 Ca 0.00 -1.48 -0.29 0.00 0.00 0.00 0.00 44.72 42.95 3cf5 s GLY 8 CO 0.00 -1.51 1.04 -0.56 0.00 0.00 0.00 173.10 172.07 3cf5 s SER 9 N -3.37 7.19 0.00 1.64 0.01 -1.26 -5.03 113.70 112.89 3cf5 s SER 9 Ca 0.30 1.54 0.00 0.00 1.31 0.00 0.00 55.95 59.10 3cf5 s SER 9 Cb -0.08 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3cf5 s SER 9 CO 0.20 -0.51 0.00 -1.20 0.41 0.00 0.00 173.24 172.15 3cf5 n SER 10 N 5.27 0.00 -0.59 2.44 7.64 -1.26 -4.63 113.62 122.49 3cf5 n SER 10 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 3cf5 n SER 10 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 3cf5 n SER 10 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3cf5 n LYS 11 N 0.00 0.00 0.00 1.43 5.02 -1.26 -4.93 118.16 118.42 3cf5 n LYS 11 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3cf5 n LYS 11 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3cf5 n LYS 11 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3cf5 n ASN 12 N 0.63 0.21 -0.01 4.39 3.02 -1.26 -5.07 115.26 117.17 3cf5 n ASN 12 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3cf5 n ASN 12 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3cf5 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cf5 n GLY 13 N 5.00 0.02 3.74 7.41 0.00 -1.26 -5.13 105.19 114.97 3cf5 n GLY 13 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3cf5 n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cf5 s ARG 14 N 0.00 4.48 0.19 1.61 6.06 -1.26 -4.94 118.95 125.09 3cf5 s ARG 14 Ca 0.00 1.03 0.00 0.00 -2.50 0.00 0.00 55.73 54.26 3cf5 s ARG 14 Cb 0.00 -3.38 0.00 0.00 0.06 0.00 0.00 34.95 31.63 3cf5 s ARG 14 CO 0.00 0.25 0.00 -0.25 -2.50 0.00 0.00 175.30 172.80 3cf5 n ASP 15 N 2.96 -2.48 0.00 -2.12 10.43 -1.26 -5.13 116.55 118.95 3cf5 n ASP 15 Ca -0.02 0.45 0.00 0.00 2.57 0.00 0.00 54.79 57.78 3cf5 n ASP 15 Cb 0.50 -1.55 0.00 0.00 1.84 0.00 0.00 41.12 41.91 3cf5 n ASP 15 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 3cf5 n SER 16 N -2.77 1.17 -3.93 -2.24 2.88 -1.26 -5.19 113.62 102.28 3cf5 n SER 16 Ca -0.03 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.35 3cf5 n SER 16 Cb 0.22 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.53 3cf5 n SER 16 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 3cf5 s ASN 17 N 2.00 0.56 0.28 -3.46 0.01 -1.26 -5.06 114.94 108.00 3cf5 s ASN 17 Ca 0.00 -0.08 -0.04 0.00 -0.71 0.00 0.00 52.86 52.03 3cf5 s ASN 17 Cb 0.00 -0.11 0.56 0.00 0.41 0.00 0.00 41.25 42.11 3cf5 s ASN 17 CO 0.00 0.03 1.59 -0.65 -1.51 0.00 0.00 177.10 176.56 3cf5 h PRO 18 N 6.28 0.04 -2.09 -0.60 0.11 -2.09 -3.48 132.00 130.18 3cf5 h PRO 18 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3cf5 h PRO 18 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3cf5 h PRO 18 CO 0.50 0.02 -0.04 0.36 -0.21 0.00 0.00 178.00 178.63 3cf5 n LYS 19 N -5.48 -0.21 0.00 1.05 2.85 -1.26 -5.11 118.16 110.00 3cf5 n LYS 19 Ca 0.18 0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.59 3cf5 n LYS 19 Cb 0.59 -0.66 0.00 0.00 -0.65 0.00 0.00 35.03 34.31 3cf5 n LYS 19 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3cf5 n TYR 20 N -1.07 0.00 0.00 5.58 4.01 -1.26 -5.19 117.16 119.23 3cf5 n TYR 20 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3cf5 n TYR 20 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3cf5 n TYR 20 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3cf5 n LEU 21 N 0.00 0.00 0.00 7.72 4.77 -1.26 -5.11 117.00 123.12 3cf5 n LEU 21 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3cf5 n LEU 21 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3cf5 n LEU 21 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 3cf5 n GLY 22 N 0.59 0.36 2.66 -0.72 0.00 0.92 -4.95 105.19 104.05 3cf5 n GLY 22 Ca 0.00 -0.62 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 3cf5 n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cf5 s VAL 23 N 0.00 -0.21 0.14 1.61 1.01 -1.26 -2.74 120.40 118.95 3cf5 s VAL 23 Ca 0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 3cf5 s VAL 23 Cb 0.00 -0.73 -0.16 0.00 0.00 0.00 0.00 36.38 35.49 3cf5 s VAL 23 CO 0.00 -0.36 1.34 0.11 0.00 0.00 0.00 175.10 176.19 3cf5 h LYS 24 N 8.36 0.41 -4.89 2.72 1.79 -1.59 -3.45 116.57 119.92 3cf5 h LYS 24 Ca -0.16 -0.41 -0.54 0.00 -2.18 0.00 0.00 60.65 57.36 3cf5 h LYS 24 Cb 1.12 0.11 -0.32 0.00 -1.58 0.00 0.00 32.23 31.55 3cf5 h LYS 24 CO 0.32 1.07 -0.83 0.15 -1.08 0.00 0.00 179.45 179.08 3cf5 s LYS 25 N -3.38 1.81 0.39 3.15 -0.14 -0.17 -4.90 119.74 116.50 3cf5 s LYS 25 Ca -0.06 -0.52 0.08 0.00 -1.36 0.00 0.00 55.97 54.11 3cf5 s LYS 25 Cb 0.09 -1.51 0.00 0.00 -1.68 0.00 0.00 37.83 34.74 3cf5 s LYS 25 CO 0.86 0.12 0.54 -0.06 -0.76 0.00 0.00 175.35 176.05 3cf5 s PHE 26 N 0.38 2.91 -0.44 3.18 0.40 -1.26 -4.85 117.98 118.31 3cf5 s PHE 26 Ca -0.11 -0.34 -0.35 0.00 -0.60 0.00 0.00 56.93 55.54 3cf5 s PHE 26 Cb -0.14 -2.25 -0.13 0.00 0.51 0.00 0.00 43.02 41.01 3cf5 s PHE 26 CO 0.04 -0.28 2.25 0.41 0.70 0.00 0.00 175.22 178.34 3cf5 n GLY 27 N -1.78 0.31 0.43 4.36 0.00 -1.26 -2.36 105.19 104.89 3cf5 n GLY 27 Ca 0.05 0.95 0.00 0.00 0.00 0.00 0.00 46.02 47.02 3cf5 n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf5 n GLY 28 N 6.59 1.62 3.43 -0.02 0.00 -0.34 -5.01 105.19 111.46 3cf5 n GLY 28 Ca 0.45 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 3cf5 n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cf5 s GLU 29 N -1.61 3.61 -0.83 1.61 2.02 -1.00 -4.78 118.70 117.73 3cf5 s GLU 29 Ca 0.00 -0.51 -0.25 0.00 0.02 0.00 0.00 54.97 54.24 3cf5 s GLU 29 Cb 0.00 -3.20 -0.16 0.00 0.10 0.00 0.00 34.13 30.87 3cf5 s GLU 29 CO 0.00 -0.11 2.35 0.28 0.02 0.00 0.00 175.26 177.79 3cf5 n VAL 30 N 4.66 0.00 0.00 2.63 0.31 -1.26 -2.53 118.33 122.14 3cf5 n VAL 30 Ca -0.17 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 3cf5 n VAL 30 Cb 0.51 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 3cf5 n VAL 30 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3cf5 n VAL 31 N 8.58 0.00 -3.82 2.52 0.24 -0.94 -4.92 118.33 119.98 3cf5 n VAL 31 Ca 0.47 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.71 3cf5 n VAL 31 Cb 0.42 -0.02 -0.01 0.00 -1.47 0.00 0.00 33.84 32.75 3cf5 n VAL 31 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3cf5 s LYS 32 N 0.00 1.62 -0.26 7.34 2.20 -1.26 -4.39 119.74 124.99 3cf5 s LYS 32 Ca 0.00 -0.92 -0.28 0.00 -0.36 0.00 0.00 55.97 54.41 3cf5 s LYS 32 Cb 0.00 0.54 -0.03 0.00 -1.51 0.00 0.00 37.83 36.83 3cf5 s LYS 32 CO 0.00 -0.75 1.95 0.00 -0.36 0.00 0.00 175.35 176.19 3cf5 s ALA 33 N -3.56 2.88 0.00 3.13 0.00 -1.18 -2.28 121.76 120.75 3cf5 s ALA 33 Ca 0.12 0.52 0.00 0.00 0.00 0.00 0.00 51.96 52.60 3cf5 s ALA 33 Cb -0.04 -4.02 0.00 0.00 0.00 0.00 0.00 23.12 19.06 3cf5 s ALA 33 CO 0.06 -2.59 0.00 0.41 0.00 0.00 0.00 175.76 173.63 3cf5 n GLY 34 N 5.46 2.42 3.46 0.00 0.00 0.16 -5.02 105.19 111.66 3cf5 n GLY 34 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3cf5 n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cf5 n ASN 35 N 0.00 -0.77 -4.82 1.61 3.02 -0.97 -4.58 115.26 108.75 3cf5 n ASN 35 Ca 0.00 0.95 -0.36 0.00 -0.03 0.00 0.00 54.58 55.13 3cf5 n ASN 35 Cb 0.00 -1.11 -0.07 0.00 -0.61 0.00 0.00 39.78 37.99 3cf5 n ASN 35 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3cf5 s ILE 36 N -1.41 5.46 -0.13 2.41 1.01 -1.26 -2.12 121.20 125.17 3cf5 s ILE 36 Ca 0.63 0.21 0.06 0.00 0.00 0.00 0.00 60.65 61.55 3cf5 s ILE 36 Cb -0.64 -3.43 -0.07 0.00 0.01 0.00 0.00 42.46 38.33 3cf5 s ILE 36 CO 0.58 0.55 0.18 0.18 0.00 0.00 0.00 174.94 176.43 3cf5 n LEU 37 N 2.61 0.13 -3.58 2.97 4.32 0.19 -4.12 117.00 119.52 3cf5 n LEU 37 Ca -0.18 -0.24 -0.01 0.00 -0.02 0.00 0.00 56.01 55.55 3cf5 n LEU 37 Cb 0.54 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.29 3cf5 n LEU 37 CO 0.34 0.03 0.39 -0.69 -1.22 0.00 0.00 177.39 176.24 3cf5 s VAL 38 N -1.97 -0.68 -0.39 4.08 1.01 -1.11 -1.00 120.40 120.34 3cf5 s VAL 38 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 3cf5 s VAL 38 Cb 0.04 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.43 3cf5 s VAL 38 CO 0.23 0.00 0.27 -0.13 0.00 0.00 0.00 175.10 175.47 3cf5 s ARG 39 N 2.52 3.06 0.28 2.72 1.81 -1.11 -1.83 118.95 126.41 3cf5 s ARG 39 Ca -0.06 -0.95 0.02 0.00 -1.72 0.00 0.00 55.73 53.02 3cf5 s ARG 39 Cb -0.09 -3.89 -0.01 0.00 -0.45 0.00 0.00 34.95 30.51 3cf5 s ARG 39 CO -0.18 -0.67 0.06 0.00 -0.68 0.00 0.00 175.30 173.83 3cf5 n GLN 40 N 5.12 0.88 0.00 3.54 10.64 -1.26 -0.05 117.38 136.24 3cf5 n GLN 40 Ca -0.12 -2.25 0.00 0.00 -1.83 0.00 0.00 57.00 52.81 3cf5 n GLN 40 Cb 0.47 1.01 0.00 0.00 -0.86 0.00 0.00 30.24 30.87 3cf5 n GLN 40 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3cf5 n ARG 41 N -0.65 0.00 0.00 2.61 5.12 -1.26 -4.67 116.66 117.80 3cf5 n ARG 41 Ca -0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 3cf5 n ARG 41 Cb 0.40 -0.27 0.00 0.00 -1.16 0.00 0.00 32.46 31.43 3cf5 n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cf5 n GLY 42 N 2.41 0.98 2.77 -0.13 0.00 -1.26 -4.60 105.19 105.37 3cf5 n GLY 42 Ca 0.00 -0.71 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 3cf5 n GLY 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cf5 n THR 43 N 0.00 3.77 -0.07 2.61 -1.04 -1.26 -4.76 114.28 113.54 3cf5 n THR 43 Ca 0.00 -5.41 -0.10 0.00 -2.04 0.00 0.00 64.05 56.50 3cf5 n THR 43 Cb 0.00 -1.39 -0.04 0.00 -1.82 0.00 0.00 70.33 67.08 3cf5 n THR 43 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3cf5 h LYS 44 N 3.21 -0.34 -5.27 -2.82 3.64 -1.92 -3.36 116.57 109.72 3cf5 h LYS 44 Ca 0.32 0.02 -0.64 0.00 -1.27 0.00 0.00 60.65 59.08 3cf5 h LYS 44 Cb 0.48 0.08 -0.22 0.00 -0.41 0.00 0.00 32.23 32.16 3cf5 h LYS 44 CO 0.99 -0.23 -0.67 -0.06 -2.27 0.00 0.00 179.45 177.21 3cf5 s PHE 45 N -5.94 3.01 -0.16 1.91 0.40 -1.26 -4.10 117.98 111.84 3cf5 s PHE 45 Ca -0.15 -0.36 -0.11 0.00 -0.60 0.00 0.00 56.93 55.71 3cf5 s PHE 45 Cb 0.12 -1.97 -0.05 0.00 0.51 0.00 0.00 43.02 41.63 3cf5 s PHE 45 CO 0.66 -0.09 0.21 0.15 0.70 0.00 0.00 175.22 176.85 3cf5 s LYS 46 N 0.48 4.06 -0.49 0.44 1.02 0.26 -4.96 119.74 120.55 3cf5 s LYS 46 Ca -0.04 -0.05 -0.44 0.00 0.02 0.00 0.00 55.97 55.47 3cf5 s LYS 46 Cb -0.14 -3.37 -0.19 0.00 -0.52 0.00 0.00 37.83 33.61 3cf5 s LYS 46 CO 0.03 0.39 2.09 0.00 -0.92 0.00 0.00 175.35 176.94 3cf5 n ALA 47 N 3.16 0.11 -1.00 5.17 0.00 -1.26 -3.62 120.51 123.07 3cf5 n ALA 47 Ca -0.15 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3cf5 n ALA 47 Cb 0.52 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.89 3cf5 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cf5 n GLY 48 N 7.16 0.58 3.41 0.00 0.00 -0.87 -4.86 105.19 110.61 3cf5 n GLY 48 Ca 0.52 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3cf5 n GLY 48 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cf5 s GLN 49 N 0.00 2.89 0.00 1.61 0.74 -1.23 -4.19 119.66 119.48 3cf5 s GLN 49 Ca 0.00 -1.05 0.00 0.00 0.05 0.00 0.00 55.36 54.36 3cf5 s GLN 49 Cb 0.00 -3.84 0.00 0.00 1.10 0.00 0.00 33.01 30.27 3cf5 s GLN 49 CO 0.00 -0.72 0.00 0.41 -0.55 0.00 0.00 175.29 174.43 3cf5 n GLY 50 N 5.07 0.69 3.17 2.59 0.00 -1.26 -1.85 105.19 113.61 3cf5 n GLY 50 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 3cf5 n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cf5 s VAL 51 N -2.03 3.47 0.51 1.61 1.01 -1.26 -2.55 120.40 121.16 3cf5 s VAL 51 Ca 0.00 -1.71 -0.20 0.00 0.00 0.00 0.00 61.98 60.06 3cf5 s VAL 51 Cb 0.00 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.09 3cf5 s VAL 51 CO 0.00 -0.50 1.10 -0.83 0.00 0.00 0.00 175.10 174.87 3cf5 s GLY 52 N 1.76 2.62 -0.26 4.51 0.00 0.23 -4.43 107.32 111.75 3cf5 s GLY 52 Ca 0.04 0.76 0.03 0.00 0.00 0.00 0.00 44.72 45.55 3cf5 s GLY 52 CO -0.02 1.12 -0.11 -0.29 0.00 0.00 0.00 173.10 173.80 3cf5 s MET 53 N -3.15 2.25 0.56 2.90 0.00 -1.26 0.83 119.30 121.43 3cf5 s MET 53 Ca 0.69 -1.33 -0.07 0.00 0.00 0.00 0.00 55.69 54.98 3cf5 s MET 53 Cb -0.22 -2.87 0.11 0.00 0.00 0.00 0.00 34.83 31.85 3cf5 s MET 53 CO 0.26 -0.56 0.26 0.41 0.00 0.00 0.00 175.02 175.38 3cf5 n GLY 54 N 4.44 -2.15 0.13 2.11 0.00 -0.66 -4.83 105.19 104.22 3cf5 n GLY 54 Ca -0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 46.02 45.17 3cf5 n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3cf5 h ARG 55 N 0.00 0.00 -1.00 1.61 2.43 -2.00 -3.21 114.38 112.20 3cf5 h ARG 55 Ca -0.12 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.41 3cf5 h ARG 55 Cb 0.40 0.00 -0.29 0.00 -0.42 0.00 0.00 29.97 29.65 3cf5 h ARG 55 CO 0.07 0.65 0.83 -0.40 -1.51 0.00 0.00 179.97 179.60 3cf5 n ASP 56 N -3.59 6.85 -0.52 -3.80 5.75 -1.26 -4.80 116.55 115.16 3cf5 n ASP 56 Ca -0.00 -3.75 -0.07 0.00 -0.01 0.00 0.00 54.79 50.96 3cf5 n ASP 56 Cb 0.68 -0.95 -0.03 0.00 -1.03 0.00 0.00 41.12 39.79 3cf5 n ASP 56 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3cf5 n HIS 57 N -0.97 0.00 -0.60 2.11 8.25 -1.21 -4.48 115.22 118.32 3cf5 n HIS 57 Ca 0.62 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.80 3cf5 n HIS 57 Cb 0.88 -2.46 0.25 0.00 1.12 0.00 0.00 29.99 29.79 3cf5 n HIS 57 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3cf5 s THR 58 N -1.60 1.97 -0.07 1.59 2.01 -1.26 -4.25 115.64 114.04 3cf5 s THR 58 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 3cf5 s THR 58 Cb 0.00 -2.11 0.04 0.00 0.01 0.00 0.00 72.50 70.44 3cf5 s THR 58 CO 0.00 0.00 0.12 -0.76 -0.69 0.00 0.00 174.62 173.29 3cf5 s LEU 59 N -7.21 0.07 0.37 4.42 1.43 -0.76 -1.66 118.68 115.35 3cf5 s LEU 59 Ca 0.68 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 54.07 3cf5 s LEU 59 Cb -0.24 0.14 -0.06 0.00 0.03 0.00 0.00 46.19 46.06 3cf5 s LEU 59 CO 0.64 -0.24 0.05 0.72 0.23 0.00 0.00 176.35 177.75 3cf5 s PHE 60 N 2.15 2.11 -0.21 0.29 -0.71 0.24 0.54 117.98 122.40 3cf5 s PHE 60 Ca 0.03 -0.90 -0.07 0.00 -1.04 0.00 0.00 56.93 54.94 3cf5 s PHE 60 Cb -0.12 -1.45 -0.03 0.00 -1.21 0.00 0.00 43.02 40.21 3cf5 s PHE 60 CO -0.05 0.13 0.05 0.00 -1.34 0.00 0.00 175.22 174.02 3cf5 s ALA 61 N -3.08 3.25 0.00 1.99 0.00 -0.90 0.74 121.76 123.77 3cf5 s ALA 61 Ca 0.32 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 51.16 3cf5 s ALA 61 Cb 0.08 -1.95 -0.24 0.00 0.00 0.00 0.00 23.12 21.01 3cf5 s ALA 61 CO 0.15 -0.11 1.09 -0.07 0.00 0.00 0.00 175.76 176.82 3cf5 h LEU 62 N 7.38 0.54 0.00 0.00 -0.00 -1.78 0.44 115.31 121.90 3cf5 h LEU 62 Ca -0.36 -0.77 0.00 0.00 -0.00 0.00 0.00 57.88 56.75 3cf5 h LEU 62 Cb 1.18 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.67 3cf5 h LEU 62 CO 0.63 1.24 0.00 -1.54 -0.00 0.00 0.00 178.44 178.78 3cf5 n SER 63 N -4.20 1.34 0.00 -0.43 3.41 -1.26 -4.56 113.62 107.92 3cf5 n SER 63 Ca -0.11 -0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 3cf5 n SER 63 Cb 0.69 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 3cf5 n SER 63 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3cf5 n ASP 64 N -0.44 0.06 0.00 4.04 9.92 -1.26 -3.08 116.55 125.80 3cf5 n ASP 64 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3cf5 n ASP 64 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3cf5 n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cf5 n GLY 65 N 5.00 0.07 3.41 0.44 0.00 -1.26 -4.57 105.19 108.27 3cf5 n GLY 65 Ca 0.00 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 3cf5 n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cf5 s LYS 66 N 0.00 2.13 0.21 1.61 2.20 -1.25 -2.21 119.74 122.43 3cf5 s LYS 66 Ca 0.00 -0.93 -0.29 0.00 -0.36 0.00 0.00 55.97 54.39 3cf5 s LYS 66 Cb 0.00 -2.16 -0.08 0.00 -1.51 0.00 0.00 37.83 34.07 3cf5 s LYS 66 CO 0.00 0.56 0.92 0.08 -0.36 0.00 0.00 175.35 176.55 3cf5 s VAL 67 N -0.79 4.16 -0.04 4.02 1.01 -1.05 -2.10 120.40 125.61 3cf5 s VAL 67 Ca 0.12 2.04 0.01 0.00 0.00 0.00 0.00 61.98 64.16 3cf5 s VAL 67 Cb -0.10 -4.31 0.02 0.00 0.00 0.00 0.00 36.38 31.98 3cf5 s VAL 67 CO 0.02 0.48 -0.06 -0.69 0.00 0.00 0.00 175.10 174.85 3cf5 s VAL 68 N -1.02 0.61 -0.11 2.92 1.01 -0.17 -1.20 120.40 122.45 3cf5 s VAL 68 Ca 0.41 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 3cf5 s VAL 68 Cb -0.25 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 3cf5 s VAL 68 CO 0.31 0.23 -0.03 -0.36 0.00 0.00 0.00 175.10 175.25 3cf5 s PHE 69 N 0.66 3.06 -0.03 5.22 0.40 -1.26 0.16 117.98 126.18 3cf5 s PHE 69 Ca -0.09 -0.04 -0.00 0.00 -0.60 0.00 0.00 56.93 56.19 3cf5 s PHE 69 Cb -0.12 -1.85 0.03 0.00 0.51 0.00 0.00 43.02 41.58 3cf5 s PHE 69 CO 0.01 0.22 0.02 0.42 0.70 0.00 0.00 175.22 176.59 3cf5 s ILE 70 N -0.32 0.07 -0.19 0.64 1.01 0.60 -4.99 121.20 118.01 3cf5 s ILE 70 Ca 0.06 0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 3cf5 s ILE 70 Cb -0.12 -0.21 0.06 0.00 0.01 0.00 0.00 42.46 42.19 3cf5 s ILE 70 CO 0.02 0.15 0.02 0.21 0.00 0.00 0.00 174.94 175.33 3cf5 s ASN 71 N 1.35 2.89 -0.15 3.58 3.84 -1.26 0.15 114.94 125.34 3cf5 s ASN 71 Ca -0.05 -0.78 -0.14 0.00 0.21 0.00 0.00 52.86 52.09 3cf5 s ASN 71 Cb -0.13 -0.67 -0.05 0.00 -0.55 0.00 0.00 41.25 39.85 3cf5 s ASN 71 CO -0.03 -0.28 0.32 -0.54 -2.79 0.00 0.00 177.10 173.78 3cf5 s LYS 72 N 1.80 4.24 -0.03 0.43 1.02 -0.94 -4.53 119.74 121.73 3cf5 s LYS 72 Ca -0.01 0.15 -0.00 0.00 0.02 0.00 0.00 55.97 56.12 3cf5 s LYS 72 Cb -0.17 -3.42 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 3cf5 s LYS 72 CO -0.07 0.25 0.01 0.41 -0.92 0.00 0.00 175.35 175.03 3cf5 n GLY 73 N 3.30 -0.18 6.74 -3.33 0.00 -1.26 -4.07 105.19 106.39 3cf5 n GLY 73 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3cf5 n GLY 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cf5 n LYS 74 N -0.96 0.00 0.00 1.61 4.76 -1.26 -4.81 118.16 117.50 3cf5 n LYS 74 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3cf5 n LYS 74 Cb 0.18 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.37 3cf5 n LYS 74 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cf5 n GLY 75 N 0.00 0.00 3.43 0.72 0.00 -1.26 -4.06 105.19 104.01 3cf5 n GLY 75 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3cf5 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf5 s ALA 76 N 0.00 3.07 0.11 4.61 0.00 -1.26 -4.93 121.76 123.35 3cf5 s ALA 76 Ca 0.00 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 50.94 3cf5 s ALA 76 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 3cf5 s ALA 76 CO 0.00 -0.35 -0.16 1.03 0.00 0.00 0.00 175.76 176.28 3cf5 s ARG 77 N 1.36 1.00 -0.03 0.00 1.81 -1.26 -2.21 118.95 119.63 3cf5 s ARG 77 Ca 0.05 -1.15 -0.07 0.00 -1.72 0.00 0.00 55.73 52.84 3cf5 s ARG 77 Cb -0.15 -1.03 0.01 0.00 -0.45 0.00 0.00 34.95 33.34 3cf5 s ARG 77 CO 0.02 0.22 0.17 -0.06 -0.68 0.00 0.00 175.30 174.96 3cf5 s PHE 78 N -1.63 -0.07 -0.20 -0.53 0.40 0.40 0.90 117.98 117.25 3cf5 s PHE 78 Ca 0.05 0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.50 3cf5 s PHE 78 Cb -0.08 0.01 -0.00 0.00 0.51 0.00 0.00 43.02 43.46 3cf5 s PHE 78 CO 0.03 -0.22 -0.09 0.42 0.70 0.00 0.00 175.22 176.07 3cf5 s ILE 79 N -0.79 3.06 0.53 0.64 1.01 -1.24 -0.29 121.20 124.12 3cf5 s ILE 79 Ca -0.09 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 59.99 3cf5 s ILE 79 Cb -0.05 -2.36 0.04 0.00 0.01 0.00 0.00 42.46 40.09 3cf5 s ILE 79 CO 0.01 0.46 0.31 -1.20 0.00 0.00 0.00 174.94 174.53 3cf5 n SER 80 N 4.60 2.88 -3.43 3.58 7.64 0.12 -2.05 113.62 126.96 3cf5 n SER 80 Ca -0.19 -2.93 -0.27 0.00 1.01 0.00 0.00 58.87 56.48 3cf5 n SER 80 Cb 0.51 0.05 -0.10 0.00 -1.01 0.00 0.00 64.21 63.65 3cf5 n SER 80 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3cf5 s ILE 81 N -2.71 0.47 -1.13 0.44 1.01 -0.77 -1.00 121.20 117.51 3cf5 s ILE 81 Ca 0.24 -2.65 -0.16 0.00 0.00 0.00 0.00 60.65 58.08 3cf5 s ILE 81 Cb -0.02 -1.34 -0.06 0.00 0.01 0.00 0.00 42.46 41.05 3cf5 s ILE 81 CO 0.15 -1.20 2.15 -0.62 0.00 0.00 0.00 174.94 175.42 3cf5 n GLU 82 N 2.92 2.27 -0.90 2.79 1.02 -0.89 -4.68 120.64 123.16 3cf5 n GLU 82 Ca 0.27 -2.14 -0.29 0.00 -0.02 0.00 0.00 57.16 54.98 3cf5 n GLU 82 Cb 0.46 -3.02 0.01 0.00 -0.02 0.00 0.00 31.44 28.88 3cf5 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cf5 n ALA 83 N 6.32 -3.33 -1.05 0.62 0.00 -1.26 -3.87 120.51 117.94 3cf5 n ALA 83 Ca 0.52 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3cf5 n ALA 83 Cb 0.36 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3cf5 n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf5 n ALA 84 N -1.38 0.00 -0.29 0.00 0.00 -1.26 -4.74 120.51 112.84 3cf5 n ALA 84 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3cf5 n ALA 84 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.83 3cf5 n ALA 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54