#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h64 s ARG 4 N 0.00 2.42 0.24 5.31 0.52 -1.26 -4.72 118.95 121.46 1h64 s ARG 4 Ca 0.00 1.95 -0.08 0.00 -0.52 0.00 0.00 55.73 57.09 1h64 s ARG 4 Cb 0.00 -1.84 0.41 0.00 0.52 0.00 0.00 34.95 34.04 1h64 s ARG 4 CO 0.00 -1.67 1.63 -1.35 0.02 0.00 0.00 175.30 173.93 1h64 h PRO 5 N 0.28 0.08 0.00 3.54 0.11 -2.05 0.27 132.00 134.23 1h64 h PRO 5 Ca -0.50 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1h64 h PRO 5 Cb 1.32 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1h64 h PRO 5 CO 0.52 0.06 -0.31 -0.07 -0.21 0.00 0.00 178.00 177.98 1h64 h LEU 6 N 0.09 0.00 -0.05 2.35 3.38 -1.99 -1.75 115.31 117.34 1h64 h LEU 6 Ca 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 1h64 h LEU 6 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1h64 h LEU 6 CO -0.67 0.31 -0.00 0.44 0.09 0.00 0.00 178.44 178.61 1h64 h ASP 7 N 0.00 0.09 -0.58 -0.43 3.45 -0.86 -0.47 116.42 117.63 1h64 h ASP 7 Ca -0.00 -0.34 -0.01 0.00 0.43 0.00 0.00 57.03 57.11 1h64 h ASP 7 Cb 0.61 -0.03 -0.03 0.00 -0.56 0.00 0.00 39.33 39.33 1h64 h ASP 7 CO 0.04 0.41 0.33 0.58 -1.57 0.00 0.00 179.24 179.03 1h64 h VAL 8 N -0.22 1.18 0.13 -1.35 2.07 -1.06 -0.78 116.25 116.23 1h64 h VAL 8 Ca 0.01 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1h64 h VAL 8 Cb 0.36 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1h64 h VAL 8 CO 0.00 0.19 -0.06 0.40 0.02 0.00 0.00 177.57 178.12 1h64 h ILE 9 N 0.78 0.88 -0.92 4.57 1.08 -1.24 -1.48 117.51 121.17 1h64 h ILE 9 Ca 0.20 -0.02 0.10 0.00 -0.39 0.00 0.00 64.86 64.75 1h64 h ILE 9 Cb 0.02 0.89 -0.08 0.00 -3.07 0.00 0.00 36.82 34.59 1h64 h ILE 9 CO -0.03 0.01 0.55 -0.74 -0.69 0.00 0.00 178.15 177.24 1h64 h HIS 10 N -0.19 1.01 0.00 1.37 2.76 -0.87 -0.98 115.15 118.25 1h64 h HIS 10 Ca -0.02 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.12 1h64 h HIS 10 Cb 0.15 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 1h64 h HIS 10 CO -0.07 0.41 -0.29 -0.09 -1.30 0.00 0.00 177.93 176.60 1h64 h ARG 11 N 0.91 0.00 0.00 5.26 2.43 -0.78 -2.40 114.38 119.80 1h64 h ARG 11 Ca 0.44 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1h64 h ARG 11 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1h64 h ARG 11 CO -0.25 0.29 0.00 0.43 -1.51 0.00 0.00 179.97 178.93 1h64 n SER 12 N -3.97 0.00 -4.59 -3.80 7.64 -0.38 -4.90 113.62 103.61 1h64 n SER 12 Ca -0.02 -0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.29 1h64 n SER 12 Cb 0.35 -0.26 0.02 0.00 -1.01 0.00 0.00 64.21 63.31 1h64 n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1h64 n LEU 13 N -1.26 2.35 -0.07 -3.43 4.77 -0.91 -1.25 117.00 117.19 1h64 n LEU 13 Ca 0.14 0.99 -0.01 0.00 -0.03 0.00 0.00 56.01 57.10 1h64 n LEU 13 Cb 0.21 -1.32 -0.00 0.00 -2.33 0.00 0.00 43.42 39.97 1h64 n LEU 13 CO 0.21 -1.73 -0.01 0.47 -1.33 0.00 0.00 177.39 175.00 1h64 n ASP 14 N 0.48 -5.40 -4.54 -1.43 10.43 0.24 -4.96 116.55 111.37 1h64 n ASP 14 Ca 0.10 0.02 -0.26 0.00 2.57 0.00 0.00 54.79 57.23 1h64 n ASP 14 Cb 0.40 -2.98 -0.10 0.00 1.84 0.00 0.00 41.12 40.28 1h64 n ASP 14 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1h64 s LYS 15 N -1.71 1.80 0.05 -1.24 1.02 -0.38 -4.85 119.74 114.43 1h64 s LYS 15 Ca 0.00 -1.93 -0.30 0.00 0.02 0.00 0.00 55.97 53.76 1h64 s LYS 15 Cb 0.00 -1.68 -0.05 0.00 -0.52 0.00 0.00 37.83 35.58 1h64 s LYS 15 CO 0.00 0.14 1.17 0.34 -0.92 0.00 0.00 175.35 176.08 1h64 s ASP 16 N -3.60 7.12 0.12 2.83 2.15 -1.26 -0.88 116.67 123.15 1h64 s ASP 16 Ca 0.32 1.96 0.04 0.00 0.43 0.00 0.00 52.55 55.30 1h64 s ASP 16 Cb 0.02 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 40.03 1h64 s ASP 16 CO 0.16 -0.44 -0.09 0.68 -0.17 0.00 0.00 175.17 175.31 1h64 s VAL 17 N 1.08 0.98 -0.17 1.11 -7.23 0.78 0.22 120.40 117.17 1h64 s VAL 17 Ca 0.58 -1.89 -0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1h64 s VAL 17 Cb -0.28 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 1h64 s VAL 17 CO 0.29 -0.71 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.06 1h64 s LEU 18 N -2.89 2.84 -0.38 1.32 2.96 0.22 -2.26 118.68 120.49 1h64 s LEU 18 Ca 0.12 -0.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.66 1h64 s LEU 18 Cb 0.01 -1.68 0.09 0.00 0.50 0.00 0.00 46.19 45.12 1h64 s LEU 18 CO -0.01 0.10 0.17 -0.69 -1.32 0.00 0.00 176.35 174.60 1h64 s VAL 19 N 0.75 3.42 -0.08 1.68 1.01 -0.15 0.02 120.40 127.05 1h64 s VAL 19 Ca -0.04 -1.76 -0.26 0.00 0.00 0.00 0.00 61.98 59.92 1h64 s VAL 19 Cb -0.15 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1h64 s VAL 19 CO 0.02 -0.51 0.84 -0.63 0.00 0.00 0.00 175.10 174.82 1h64 s ILE 20 N 1.23 4.93 0.28 2.22 1.01 0.45 -1.17 121.20 130.15 1h64 s ILE 20 Ca 0.04 1.73 0.07 0.00 0.00 0.00 0.00 60.65 62.49 1h64 s ILE 20 Cb -0.22 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 1h64 s ILE 20 CO -0.02 0.14 0.26 -0.76 0.00 0.00 0.00 174.94 174.57 1h64 s LEU 21 N 1.33 3.82 -1.23 2.97 1.43 -0.73 -0.18 118.68 126.10 1h64 s LEU 21 Ca 0.43 -0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 53.08 1h64 s LEU 21 Cb -0.18 -2.40 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 1h64 s LEU 21 CO 0.19 -0.16 2.09 0.29 0.23 0.00 0.00 176.35 178.99 1h64 n LYS 22 N -1.30 2.42 0.00 1.70 5.02 -1.19 -3.29 118.16 121.52 1h64 n LYS 22 Ca -0.06 -2.41 0.00 0.00 -2.02 0.00 0.00 58.31 53.82 1h64 n LYS 22 Cb 0.58 -3.20 0.00 0.00 -0.02 0.00 0.00 35.03 32.39 1h64 n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1h64 n LYS 23 N 6.61 0.00 0.00 1.97 5.02 -1.26 -4.95 118.16 125.55 1h64 n LYS 23 Ca 0.51 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1h64 n LYS 23 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 1h64 n LYS 23 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1h64 n GLY 24 N -0.81 1.69 3.84 0.72 0.00 -1.21 -5.08 105.19 104.34 1h64 n GLY 24 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1h64 n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h64 s PHE 25 N -2.04 3.36 0.21 1.61 0.08 -1.26 -4.27 117.98 115.68 1h64 s PHE 25 Ca 0.00 1.40 -0.14 0.00 0.12 0.00 0.00 56.93 58.32 1h64 s PHE 25 Cb 0.00 -2.70 0.01 0.00 -0.57 0.00 0.00 43.02 39.76 1h64 s PHE 25 CO 0.00 -0.07 0.45 -1.83 -0.10 0.00 0.00 175.22 173.67 1h64 s GLU 26 N -3.28 1.41 0.08 0.44 -1.05 -0.45 -1.77 118.70 114.09 1h64 s GLU 26 Ca 0.58 -1.11 0.09 0.00 -0.15 0.00 0.00 54.97 54.38 1h64 s GLU 26 Cb -0.10 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 1h64 s GLU 26 CO 0.18 -0.58 -0.20 -0.06 0.95 0.00 0.00 175.26 175.55 1h64 s PHE 27 N -3.96 2.49 -0.02 4.83 0.40 -0.32 0.23 117.98 121.63 1h64 s PHE 27 Ca 0.17 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.24 1h64 s PHE 27 Cb 0.00 -1.38 -0.00 0.00 0.51 0.00 0.00 43.02 42.14 1h64 s PHE 27 CO 0.03 0.30 -0.12 0.50 0.70 0.00 0.00 175.22 176.63 1h64 s ARG 28 N -1.78 1.17 0.00 0.44 6.06 -0.06 -0.98 118.95 123.80 1h64 s ARG 28 Ca 0.16 -0.43 0.00 0.00 -2.50 0.00 0.00 55.73 52.95 1h64 s ARG 28 Cb -0.10 -1.08 0.00 0.00 0.06 0.00 0.00 34.95 33.82 1h64 s ARG 28 CO 0.07 0.21 0.00 0.41 -2.50 0.00 0.00 175.30 173.49 1h64 n GLY 29 N 3.03 -1.64 3.61 8.12 0.00 -0.96 -0.29 105.19 117.07 1h64 n GLY 29 Ca -0.16 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 1h64 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1h64 s ARG 30 N -1.83 3.98 -0.08 1.61 3.52 -0.92 -0.15 118.95 125.08 1h64 s ARG 30 Ca 0.00 0.26 -0.30 0.00 -0.13 0.00 0.00 55.73 55.57 1h64 s ARG 30 Cb 0.00 -3.69 -0.04 0.00 -1.56 0.00 0.00 34.95 29.67 1h64 s ARG 30 CO 0.00 -0.43 1.39 -1.17 -0.81 0.00 0.00 175.30 174.28 1h64 s LEU 31 N 2.38 4.26 0.00 -0.88 2.96 -0.06 -1.08 118.68 126.26 1h64 s LEU 31 Ca 0.22 1.96 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 1h64 s LEU 31 Cb -0.15 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1h64 s LEU 31 CO 0.10 -0.77 0.49 2.30 -1.32 0.00 0.00 176.35 177.14 1h64 n ILE 32 N 5.13 0.00 -3.62 6.68 -5.35 -0.49 0.80 119.36 122.52 1h64 n ILE 32 Ca 0.14 -0.49 -0.01 0.00 -0.27 0.00 0.00 62.75 62.13 1h64 n ILE 32 Cb 0.44 1.03 -0.01 0.00 -1.74 0.00 0.00 39.64 39.35 1h64 n ILE 32 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1h64 s GLY 33 N -0.00 -0.29 0.18 3.28 0.00 -1.19 -4.93 107.32 104.37 1h64 s GLY 33 Ca 0.00 1.58 -0.24 0.00 0.00 0.00 0.00 44.72 46.06 1h64 s GLY 33 CO 0.00 0.49 0.97 -2.52 0.00 0.00 0.00 173.10 172.03 1h64 s TYR 34 N -2.12 -0.06 0.33 1.90 -0.85 -1.26 -0.67 117.35 114.62 1h64 s TYR 34 Ca 0.12 -0.30 0.06 0.00 -0.52 0.00 0.00 57.07 56.43 1h64 s TYR 34 Cb 0.01 0.67 -0.03 0.00 0.38 0.00 0.00 41.96 42.99 1h64 s TYR 34 CO -0.04 -0.91 0.23 0.16 -1.52 0.00 0.00 175.55 173.47 1h64 s ASP 35 N -3.08 1.74 0.58 -0.18 1.47 -0.70 -4.98 116.67 111.53 1h64 s ASP 35 Ca 0.15 -1.70 0.28 0.00 1.18 0.00 0.00 52.55 52.46 1h64 s ASP 35 Cb -0.02 0.53 1.76 0.00 -0.34 0.00 0.00 42.92 44.85 1h64 s ASP 35 CO 0.04 -1.01 2.24 -0.29 0.68 0.00 0.00 175.17 176.82 1h64 h ILE 36 N 2.12 0.57 -0.00 2.11 6.09 -2.03 -1.07 117.51 125.29 1h64 h ILE 36 Ca -0.28 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 1h64 h ILE 36 Cb 1.24 0.99 0.00 0.00 0.47 0.00 0.00 36.82 39.52 1h64 h ILE 36 CO 0.42 0.00 -0.00 1.41 -3.07 0.00 0.00 178.15 176.91 1h64 n HIS 37 N -3.92 0.00 -2.08 2.19 8.25 -1.26 -4.88 115.22 113.52 1h64 n HIS 37 Ca -0.03 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.32 1h64 n HIS 37 Cb 0.10 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 1h64 n HIS 37 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1h64 n LEU 38 N -0.93 -1.43 -4.76 2.41 4.77 -0.41 -4.44 117.00 112.21 1h64 n LEU 38 Ca 0.23 0.04 -0.39 0.00 -0.03 0.00 0.00 56.01 55.86 1h64 n LEU 38 Cb 0.13 -1.87 -0.06 0.00 -2.33 0.00 0.00 43.42 39.29 1h64 n LEU 38 CO 0.18 -0.20 0.62 0.20 -1.33 0.00 0.00 177.39 176.86 1h64 s ASN 39 N -2.53 7.52 0.20 -1.43 0.01 -1.26 -3.57 114.94 113.88 1h64 s ASN 39 Ca 0.00 1.87 0.03 0.00 -0.71 0.00 0.00 52.86 54.05 1h64 s ASN 39 Cb 0.00 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 39.03 1h64 s ASN 39 CO 0.00 0.10 -0.01 0.68 -1.51 0.00 0.00 177.10 176.36 1h64 s VAL 40 N -1.31 0.92 -0.10 1.60 -7.23 -0.52 -1.73 120.40 112.03 1h64 s VAL 40 Ca 0.43 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.61 1h64 s VAL 40 Cb -0.23 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.51 1h64 s VAL 40 CO 0.29 -0.43 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.77 1h64 s VAL 41 N -3.49 1.73 0.06 1.32 1.01 0.15 -0.39 120.40 120.80 1h64 s VAL 41 Ca 0.25 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.52 1h64 s VAL 41 Cb 0.05 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1h64 s VAL 41 CO 0.06 0.49 -0.25 -0.76 0.00 0.00 0.00 175.10 174.63 1h64 s LEU 42 N 0.65 2.27 0.12 3.92 1.43 0.26 -1.39 118.68 125.93 1h64 s LEU 42 Ca -0.13 -0.60 0.08 0.00 -1.03 0.00 0.00 54.13 52.44 1h64 s LEU 42 Cb -0.16 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 1h64 s LEU 42 CO 0.03 0.24 -0.10 0.00 0.23 0.00 0.00 176.35 176.75 1h64 s ALA 43 N -0.88 2.94 -1.24 4.21 0.00 -0.24 -0.98 121.76 125.57 1h64 s ALA 43 Ca 0.13 -1.30 -0.20 0.00 0.00 0.00 0.00 51.96 50.59 1h64 s ALA 43 Cb -0.10 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.18 1h64 s ALA 43 CO 0.03 0.60 0.64 -0.25 0.00 0.00 0.00 175.76 176.79 1h64 n ASP 44 N 0.55 -3.64 -4.94 0.00 8.00 0.16 -2.16 116.55 114.51 1h64 n ASP 44 Ca -0.13 -1.12 -0.25 0.00 0.71 0.00 0.00 54.79 54.00 1h64 n ASP 44 Cb 0.53 -2.71 -0.03 0.00 -0.02 0.00 0.00 41.12 38.89 1h64 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1h64 s ALA 45 N -3.63 3.88 -0.02 2.24 0.00 -0.28 -4.47 121.76 119.47 1h64 s ALA 45 Ca 0.36 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1h64 s ALA 45 Cb -0.16 -1.89 -0.00 0.00 0.00 0.00 0.00 23.12 21.07 1h64 s ALA 45 CO 0.91 0.38 -0.10 -1.21 0.00 0.00 0.00 175.76 175.74 1h64 s GLU 46 N -3.53 0.94 -0.14 0.00 2.02 0.61 -1.34 118.70 117.27 1h64 s GLU 46 Ca 0.37 -0.34 -0.20 0.00 0.02 0.00 0.00 54.97 54.81 1h64 s GLU 46 Cb -0.10 -0.89 -0.03 0.00 0.10 0.00 0.00 34.13 33.20 1h64 s GLU 46 CO 0.30 0.16 0.58 1.41 0.02 0.00 0.00 175.26 177.73 1h64 s MET 47 N 0.01 4.31 0.03 1.61 -2.45 -0.20 -0.88 119.30 121.73 1h64 s MET 47 Ca -0.00 0.60 0.08 0.00 -1.25 0.00 0.00 55.69 55.12 1h64 s MET 47 Cb -0.07 -3.50 -0.03 0.00 1.25 0.00 0.00 34.83 32.49 1h64 s MET 47 CO 0.00 -0.02 -0.23 0.42 1.05 0.00 0.00 175.02 176.23 1h64 s ILE 48 N 1.18 1.88 -0.11 10.11 1.01 0.13 -1.07 121.20 134.34 1h64 s ILE 48 Ca 0.29 -1.24 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 1h64 s ILE 48 Cb -0.16 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.73 1h64 s ILE 48 CO 0.12 0.32 -0.05 -1.58 0.00 0.00 0.00 174.94 173.75 1h64 s GLN 49 N -1.09 1.23 -1.48 2.79 2.00 0.79 -1.34 119.66 122.56 1h64 s GLN 49 Ca 0.09 -0.19 -0.10 0.00 -2.00 0.00 0.00 55.36 53.16 1h64 s GLN 49 Cb -0.09 -1.48 0.07 0.00 0.80 0.00 0.00 33.01 32.30 1h64 s GLN 49 CO 0.01 -0.31 0.89 -3.47 -0.50 0.00 0.00 175.29 171.92 1h64 n ASP 50 N 5.00 -3.73 0.00 6.67 2.03 -1.26 -0.82 116.55 124.43 1h64 n ASP 50 Ca -0.11 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.40 1h64 n ASP 50 Cb 0.50 -3.85 0.00 0.00 -0.72 0.00 0.00 41.12 37.05 1h64 n ASP 50 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1h64 n GLY 51 N -1.67 1.64 3.70 0.27 0.00 -1.26 -5.01 105.19 102.86 1h64 n GLY 51 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1h64 n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h64 s GLU 52 N -0.02 3.27 -0.13 1.61 2.02 -0.00 -5.08 118.70 120.37 1h64 s GLU 52 Ca 0.00 -0.35 -0.29 0.00 0.02 0.00 0.00 54.97 54.34 1h64 s GLU 52 Cb 0.00 -2.94 -0.01 0.00 0.10 0.00 0.00 34.13 31.28 1h64 s GLU 52 CO 0.00 0.62 1.12 0.08 0.02 0.00 0.00 175.26 177.09 1h64 s VAL 53 N -0.62 4.52 -0.23 2.63 1.01 -1.26 -0.15 120.40 126.29 1h64 s VAL 53 Ca 0.11 1.82 0.09 0.00 0.00 0.00 0.00 61.98 63.99 1h64 s VAL 53 Cb -0.12 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 31.98 1h64 s VAL 53 CO 0.02 -0.06 0.29 1.33 0.00 0.00 0.00 175.10 176.68 1h64 n VAL 54 N 4.88 0.00 -3.47 2.92 0.24 -0.23 -4.96 118.33 117.72 1h64 n VAL 54 Ca 0.11 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.34 62.02 1h64 n VAL 54 Cb 0.47 0.68 -0.04 0.00 -1.47 0.00 0.00 33.84 33.48 1h64 n VAL 54 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1h64 s LYS 55 N -2.18 1.13 0.08 7.34 1.02 -1.20 -4.99 119.74 120.94 1h64 s LYS 55 Ca 0.00 -0.17 0.05 0.00 0.02 0.00 0.00 55.97 55.87 1h64 s LYS 55 Cb 0.06 0.53 -0.03 0.00 -0.52 0.00 0.00 37.83 37.87 1h64 s LYS 55 CO 0.36 -0.44 -0.13 1.03 -0.92 0.00 0.00 175.35 175.24 1h64 s ARG 56 N -2.67 0.82 -0.05 1.68 0.52 -1.26 -1.03 118.95 116.95 1h64 s ARG 56 Ca -0.03 -0.99 -0.05 0.00 -0.52 0.00 0.00 55.73 54.14 1h64 s ARG 56 Cb -0.01 -0.77 0.02 0.00 0.52 0.00 0.00 34.95 34.71 1h64 s ARG 56 CO -0.04 0.16 0.14 0.71 0.02 0.00 0.00 175.30 176.29 1h64 s TYR 57 N -1.50 -0.16 0.10 -0.53 1.51 -0.45 -4.99 117.35 111.33 1h64 s TYR 57 Ca -0.01 0.39 -0.19 0.00 -1.01 0.00 0.00 57.07 56.26 1h64 s TYR 57 Cb -0.09 0.03 -0.07 0.00 -0.11 0.00 0.00 41.96 41.73 1h64 s TYR 57 CO 0.02 -0.09 1.60 0.78 -1.11 0.00 0.00 175.55 176.75 1h64 h GLY 58 N 6.12 0.45 -5.19 0.71 0.00 -1.93 -0.72 103.07 102.51 1h64 h GLY 58 Ca -0.28 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 46.62 1h64 h GLY 58 CO 0.42 0.26 -0.43 1.25 0.00 0.00 0.00 176.54 178.04 1h64 s LYS 59 N -5.32 0.35 -0.13 4.80 2.20 -1.26 0.37 119.74 120.75 1h64 s LYS 59 Ca -0.14 0.17 -0.12 0.00 -0.36 0.00 0.00 55.97 55.53 1h64 s LYS 59 Cb 0.08 0.16 0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1h64 s LYS 59 CO 0.73 -0.06 0.35 -1.50 -0.36 0.00 0.00 175.35 174.52 1h64 s ILE 60 N -0.24 -0.00 -0.25 5.43 2.07 -0.15 -4.98 121.20 123.07 1h64 s ILE 60 Ca -0.04 0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.13 1h64 s ILE 60 Cb -0.03 -0.50 -0.04 0.00 0.13 0.00 0.00 42.46 42.02 1h64 s ILE 60 CO 0.01 0.00 0.11 -0.69 -1.91 0.00 0.00 174.94 172.46 1h64 s VAL 61 N 0.28 4.69 -0.17 4.00 1.01 -1.26 -0.58 120.40 128.36 1h64 s VAL 61 Ca -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1h64 s VAL 61 Cb -0.03 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1h64 s VAL 61 CO -0.00 0.33 -0.03 -0.63 0.00 0.00 0.00 175.10 174.76 1h64 s ILE 62 N 1.47 3.82 0.03 2.22 1.01 0.48 -4.97 121.20 125.25 1h64 s ILE 62 Ca 0.06 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 1h64 s ILE 62 Cb -0.15 -2.69 -0.06 0.00 0.01 0.00 0.00 42.46 39.57 1h64 s ILE 62 CO 0.05 0.47 1.36 -0.13 0.00 0.00 0.00 174.94 176.69 1h64 s ARG 63 N 0.66 4.31 0.60 2.79 0.52 -1.26 -1.44 118.95 125.13 1h64 s ARG 63 Ca -0.02 1.94 0.32 0.00 -0.52 0.00 0.00 55.73 57.45 1h64 s ARG 63 Cb -0.14 -3.48 1.90 0.00 0.52 0.00 0.00 34.95 33.75 1h64 s ARG 63 CO 0.02 -0.50 2.26 0.78 0.02 0.00 0.00 175.30 177.89 1h64 h GLY 64 N 7.84 0.00 1.87 -3.53 0.00 -1.77 -2.72 103.07 104.75 1h64 h GLY 64 Ca -0.39 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.96 1h64 h GLY 64 CO 0.88 0.00 0.05 -1.80 0.00 0.00 0.00 176.54 175.67 1h64 h ASP 65 N 0.00 0.00 -0.02 0.19 3.58 -1.88 -1.68 116.42 116.61 1h64 h ASP 65 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1h64 h ASP 65 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 1h64 h ASP 65 CO -0.00 0.00 -0.04 0.59 -2.88 0.00 0.00 179.24 176.91 1h64 n ASN 66 N -4.04 2.45 -4.73 2.28 3.02 -1.03 -4.94 115.26 108.28 1h64 n ASN 66 Ca -0.02 -1.79 -0.40 0.00 -0.03 0.00 0.00 54.58 52.34 1h64 n ASN 66 Cb 0.15 0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.30 1h64 n ASN 66 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1h64 s VAL 67 N -2.04 4.96 -0.17 2.41 1.01 -0.63 -3.18 120.40 122.76 1h64 s VAL 67 Ca 0.30 1.49 -0.21 0.00 0.00 0.00 0.00 61.98 63.56 1h64 s VAL 67 Cb 0.20 -4.06 -0.22 0.00 0.00 0.00 0.00 36.38 32.30 1h64 s VAL 67 CO 0.33 0.28 0.40 0.25 0.00 0.00 0.00 175.10 176.37 1h64 h LEU 68 N 6.44 0.09 -7.59 3.92 5.85 -0.86 -3.47 115.31 119.68 1h64 h LEU 68 Ca -0.42 -0.69 0.01 0.00 0.84 0.00 0.00 57.88 57.61 1h64 h LEU 68 Cb 1.20 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.11 1h64 h LEU 68 CO 0.74 1.43 0.14 0.00 -0.34 0.00 0.00 178.44 180.41 1h64 s ALA 69 N -2.36 -1.21 -0.04 1.25 0.00 -1.09 -5.01 121.76 113.30 1h64 s ALA 69 Ca -0.25 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.66 1h64 s ALA 69 Cb 0.04 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.05 1h64 s ALA 69 CO 0.65 -0.87 -0.03 0.42 0.00 0.00 0.00 175.76 175.93 1h64 s ILE 70 N -3.86 0.40 -0.08 0.00 1.01 -1.26 -0.41 121.20 117.01 1h64 s ILE 70 Ca 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 60.65 60.68 1h64 s ILE 70 Cb -0.03 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 42.01 1h64 s ILE 70 CO -0.02 0.20 -0.05 -0.55 0.00 0.00 0.00 174.94 174.51 1h64 s SER 71 N 0.96 1.67 0.13 3.58 0.15 0.10 -4.95 113.70 115.34 1h64 s SER 71 Ca -0.11 -0.19 -0.30 0.00 0.70 0.00 0.00 55.95 56.05 1h64 s SER 71 Cb -0.14 -0.62 -0.07 0.00 -1.71 0.00 0.00 66.02 63.48 1h64 s SER 71 CO -0.01 -0.11 1.12 -2.16 1.20 0.00 0.00 173.24 173.28 1h64 s PRO 72 N 1.52 4.54 0.00 5.44 0.04 -1.26 0.71 135.00 145.98 1h64 s PRO 72 Ca -0.01 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1h64 s PRO 72 Cb -0.13 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1h64 s PRO 72 CO -0.04 -0.04 0.17 0.25 0.04 0.00 0.00 177.00 177.38