#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h92 s SER 2 N 0.00 2.15 0.43 1.61 0.01 -1.26 -5.11 113.70 111.53 1h92 s SER 2 Ca 0.00 -1.14 -0.26 0.00 1.31 0.00 0.00 55.95 55.86 1h92 s SER 2 Cb 0.00 -0.06 -0.09 0.00 0.21 0.00 0.00 66.02 66.08 1h92 s SER 2 CO 0.00 -0.39 1.40 -0.81 0.41 0.00 0.00 173.24 173.85 1h92 n PRO 3 N -0.41 2.24 -3.42 12.44 -0.04 -1.26 -4.98 135.00 139.57 1h92 n PRO 3 Ca -0.07 0.79 -0.33 0.00 -0.04 0.00 0.00 63.50 63.86 1h92 n PRO 3 Cb 0.63 -2.57 -0.05 0.00 -0.04 0.00 0.00 33.50 31.46 1h92 n PRO 3 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1h92 s LEU 4 N -2.27 4.22 0.22 1.53 1.43 -1.26 -4.99 118.68 117.56 1h92 s LEU 4 Ca 0.60 0.95 -0.07 0.00 -1.03 0.00 0.00 54.13 54.57 1h92 s LEU 4 Cb -0.47 -3.53 0.18 0.00 0.03 0.00 0.00 46.19 42.40 1h92 s LEU 4 CO 0.59 -0.01 1.75 1.56 0.23 0.00 0.00 176.35 180.47 1h92 h GLN 5 N 2.87 1.09 -2.39 1.70 4.20 -1.93 -3.10 115.11 117.55 1h92 h GLN 5 Ca -0.47 -0.24 -0.27 0.00 0.06 0.00 0.00 58.65 57.72 1h92 h GLN 5 Cb 1.18 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.76 1h92 h GLN 5 CO 0.68 0.95 0.68 -0.25 -0.67 0.00 0.00 178.83 180.23 1h92 n ASP 6 N -4.25 5.29 -4.48 1.46 8.00 -1.26 -4.81 116.55 116.51 1h92 n ASP 6 Ca 0.05 -2.38 -0.43 0.00 0.71 0.00 0.00 54.79 52.74 1h92 n ASP 6 Cb 0.24 -1.27 -0.03 0.00 -0.02 0.00 0.00 41.12 40.04 1h92 n ASP 6 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1h92 s ASN 7 N 2.25 6.58 0.10 -2.24 0.01 -1.17 -5.00 114.94 115.46 1h92 s ASN 7 Ca 0.58 -1.86 -0.05 0.00 -0.71 0.00 0.00 52.86 50.82 1h92 s ASN 7 Cb 0.24 -2.44 -0.05 0.00 0.41 0.00 0.00 41.25 39.41 1h92 s ASN 7 CO -0.01 -1.19 0.34 -0.22 -1.51 0.00 0.00 177.10 174.51 1h92 s LEU 8 N 3.33 4.31 0.26 0.60 2.96 -1.26 0.29 118.68 129.16 1h92 s LEU 8 Ca 0.36 0.57 -0.12 0.00 -0.22 0.00 0.00 54.13 54.72 1h92 s LEU 8 Cb -0.04 -3.11 -0.00 0.00 0.50 0.00 0.00 46.19 43.54 1h92 s LEU 8 CO -0.09 0.12 0.49 0.68 -1.32 0.00 0.00 176.35 176.23 1h92 s VAL 9 N -1.54 0.00 -0.01 1.68 -7.23 -0.33 -3.53 120.40 109.43 1h92 s VAL 9 Ca 0.37 -1.41 0.04 0.00 -1.81 0.00 0.00 61.98 59.17 1h92 s VAL 9 Cb -0.13 -2.26 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 1h92 s VAL 9 CO 0.23 0.00 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.26 1h92 s ILE 10 N -3.89 3.18 -0.37 -0.62 1.01 -1.26 -1.50 121.20 117.74 1h92 s ILE 10 Ca 0.23 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 1h92 s ILE 10 Cb -0.01 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.18 1h92 s ILE 10 CO 0.10 0.48 1.08 0.00 0.00 0.00 0.00 174.94 176.60 1h92 s ALA 11 N -0.85 3.39 0.22 9.38 0.00 -0.20 -3.85 121.76 129.84 1h92 s ALA 11 Ca 0.14 -0.21 0.29 0.00 0.00 0.00 0.00 51.96 52.18 1h92 s ALA 11 Cb -0.11 -3.73 1.28 0.00 0.00 0.00 0.00 23.12 20.56 1h92 s ALA 11 CO 0.03 -1.73 1.97 -0.07 0.00 0.00 0.00 175.76 175.96 1h92 h LEU 12 N 10.43 0.00 -7.11 0.00 3.38 0.01 1.25 115.31 123.28 1h92 h LEU 12 Ca -0.21 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 1h92 h LEU 12 Cb 1.06 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.64 1h92 h LEU 12 CO 1.06 0.11 0.10 -1.00 0.09 0.00 0.00 178.44 178.81 1h92 s HIS 13 N -3.81 -0.53 0.46 1.13 3.76 -1.25 -4.65 115.29 110.40 1h92 s HIS 13 Ca -0.00 0.77 -0.24 0.00 -0.15 0.00 0.00 55.06 55.44 1h92 s HIS 13 Cb 0.11 0.38 -0.07 0.00 1.11 0.00 0.00 32.58 34.10 1h92 s HIS 13 CO 0.58 -0.62 1.28 -1.54 -0.85 0.00 0.00 174.74 173.59 1h92 s SER 14 N -1.59 5.96 0.24 1.40 1.04 -1.26 -4.48 113.70 115.01 1h92 s SER 14 Ca -0.08 2.60 0.01 0.00 0.48 0.00 0.00 55.95 58.96 1h92 s SER 14 Cb -0.01 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 1h92 s SER 14 CO 0.04 -1.08 0.41 -0.47 0.98 0.00 0.00 173.24 173.11 1h92 s TYR 15 N -1.35 3.48 -0.77 5.02 5.04 -0.78 -4.93 117.35 123.06 1h92 s TYR 15 Ca 0.63 0.23 -0.03 0.00 -2.44 0.00 0.00 57.07 55.47 1h92 s TYR 15 Cb -0.36 -1.77 0.19 0.00 0.35 0.00 0.00 41.96 40.37 1h92 s TYR 15 CO 0.45 0.35 0.62 -2.00 -1.34 0.00 0.00 175.55 173.63 1h92 s GLU 16 N -3.69 2.95 -0.06 4.97 2.12 -1.26 -4.34 118.70 119.39 1h92 s GLU 16 Ca 0.37 -2.91 -0.34 0.00 0.36 0.00 0.00 54.97 52.46 1h92 s GLU 16 Cb -0.10 -3.86 -0.11 0.00 0.26 0.00 0.00 34.13 30.31 1h92 s GLU 16 CO 0.30 -1.23 1.88 -0.35 -0.54 0.00 0.00 175.26 175.33 1h92 n PRO 17 N 2.91 2.29 -0.25 4.30 -0.04 -1.26 -4.83 135.00 138.12 1h92 n PRO 17 Ca 0.15 0.84 0.07 0.00 -0.04 0.00 0.00 63.50 64.52 1h92 n PRO 17 Cb 0.38 -2.70 0.20 0.00 -0.04 0.00 0.00 33.50 31.34 1h92 n PRO 17 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1h92 n SER 18 N 6.62 2.50 0.00 3.54 3.41 -1.26 -4.92 113.62 123.51 1h92 n SER 18 Ca 0.22 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 1h92 n SER 18 Cb 0.31 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1h92 n SER 18 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1h92 n HIS 19 N 0.80 0.00 0.13 7.33 8.25 -1.26 -5.05 115.22 125.42 1h92 n HIS 19 Ca 0.15 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.66 1h92 n HIS 19 Cb 0.41 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.60 1h92 n HIS 19 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1h92 n ASP 20 N 0.00 2.28 -0.11 0.41 5.68 -1.26 -4.45 116.55 119.10 1h92 n ASP 20 Ca 0.00 -1.69 0.01 0.00 -0.50 0.00 0.00 54.79 52.61 1h92 n ASP 20 Cb 0.00 -0.10 0.02 0.00 -1.14 0.00 0.00 41.12 39.90 1h92 n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h92 n GLY 21 N 0.46 0.58 3.96 6.12 0.00 -1.26 -5.03 105.19 110.02 1h92 n GLY 21 Ca 0.08 -0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1h92 n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h92 s ASP 22 N -0.54 5.82 -0.25 1.61 1.01 -1.26 -3.70 116.67 119.36 1h92 s ASP 22 Ca 0.03 0.13 -0.03 0.00 0.71 0.00 0.00 52.55 53.40 1h92 s ASP 22 Cb 0.02 -1.39 0.02 0.00 1.01 0.00 0.00 42.92 42.58 1h92 s ASP 22 CO 0.03 -0.67 -0.04 -0.22 0.21 0.00 0.00 175.17 174.48 1h92 s LEU 23 N -4.47 3.22 -0.78 1.23 2.96 -1.16 -4.59 118.68 115.09 1h92 s LEU 23 Ca 0.48 -0.74 -0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1h92 s LEU 23 Cb -0.10 -1.71 0.24 0.00 0.50 0.00 0.00 46.19 45.12 1h92 s LEU 23 CO 0.36 -0.11 2.27 0.61 -1.32 0.00 0.00 176.35 178.16 1h92 n GLY 24 N 4.73 5.20 3.19 7.98 0.00 -1.26 -4.61 105.19 120.41 1h92 n GLY 24 Ca -0.17 -2.27 -0.31 0.00 0.00 0.00 0.00 46.02 43.27 1h92 n GLY 24 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1h92 n PHE 25 N 0.13 -1.53 -3.31 1.61 1.16 -1.26 -4.23 117.46 110.04 1h92 n PHE 25 Ca 0.52 0.20 -0.22 0.00 -1.87 0.00 0.00 57.45 56.08 1h92 n PHE 25 Cb 0.34 -1.50 0.04 0.00 -1.61 0.00 0.00 39.48 36.74 1h92 n PHE 25 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1h92 s GLU 26 N -3.22 2.30 0.17 3.97 2.02 -1.26 -1.86 118.70 120.82 1h92 s GLU 26 Ca 0.50 -1.76 -0.30 0.00 0.02 0.00 0.00 54.97 53.43 1h92 s GLU 26 Cb -0.07 -2.47 -0.09 0.00 0.10 0.00 0.00 34.13 31.60 1h92 s GLU 26 CO 0.61 -0.77 1.36 0.21 0.02 0.00 0.00 175.26 176.69 1h92 s LYS 27 N -4.54 4.35 0.00 1.61 2.20 -1.26 -2.06 119.74 120.04 1h92 s LYS 27 Ca 0.53 2.09 0.00 0.00 -0.36 0.00 0.00 55.97 58.23 1h92 s LYS 27 Cb -0.05 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1h92 s LYS 27 CO 0.33 -0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.39 1h92 n GLY 28 N 2.78 1.68 3.69 5.54 0.00 0.43 -4.94 105.19 114.38 1h92 n GLY 28 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1h92 n GLY 28 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h92 s GLU 29 N -0.43 4.21 0.19 1.61 2.12 -0.88 -4.47 118.70 121.06 1h92 s GLU 29 Ca 0.00 2.30 -0.30 0.00 0.36 0.00 0.00 54.97 57.33 1h92 s GLU 29 Cb 0.00 -3.52 -0.08 0.00 0.26 0.00 0.00 34.13 30.79 1h92 s GLU 29 CO 0.00 -0.69 0.96 -0.65 -0.54 0.00 0.00 175.26 174.33 1h92 s GLN 30 N 2.36 4.79 0.11 4.30 -0.21 -1.26 -1.04 119.66 128.71 1h92 s GLN 30 Ca 0.72 1.49 -0.03 0.00 0.02 0.00 0.00 55.36 57.57 1h92 s GLN 30 Cb -0.40 -3.31 -0.03 0.00 1.00 0.00 0.00 33.01 30.27 1h92 s GLN 30 CO 0.32 0.39 0.08 -0.51 -2.12 0.00 0.00 175.29 173.44 1h92 s LEU 31 N -0.74 1.79 -0.13 2.90 1.43 -0.56 -4.47 118.68 118.90 1h92 s LEU 31 Ca 0.43 -1.08 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 1h92 s LEU 31 Cb -0.25 0.46 -0.03 0.00 0.03 0.00 0.00 46.19 46.39 1h92 s LEU 31 CO 0.32 -0.72 -0.00 -0.60 0.23 0.00 0.00 176.35 175.57 1h92 s ARG 32 N -4.00 3.44 -0.77 1.70 3.52 0.20 -1.19 118.95 121.85 1h92 s ARG 32 Ca 0.18 -0.44 -0.17 0.00 -0.13 0.00 0.00 55.73 55.17 1h92 s ARG 32 Cb 0.07 -2.92 0.16 0.00 -1.56 0.00 0.00 34.95 30.70 1h92 s ARG 32 CO -0.02 0.44 0.82 0.42 -0.81 0.00 0.00 175.30 176.15 1h92 s ILE 33 N -0.17 5.16 -0.10 4.11 -1.09 0.14 -0.78 121.20 128.49 1h92 s ILE 33 Ca 0.05 -1.80 0.14 0.00 -2.23 0.00 0.00 60.65 56.81 1h92 s ILE 33 Cb -0.13 -4.54 0.03 0.00 -1.58 0.00 0.00 42.46 36.25 1h92 s ILE 33 CO 0.02 -1.16 1.44 -0.07 -1.23 0.00 0.00 174.94 173.94 1h92 h LEU 34 N 9.07 0.00 -7.88 2.97 4.07 -1.44 -3.42 115.31 118.67 1h92 h LEU 34 Ca -0.02 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.63 1h92 h LEU 34 Cb 1.05 0.00 -0.29 0.00 1.08 0.00 0.00 40.66 42.51 1h92 h LEU 34 CO 0.95 0.56 -0.75 -1.61 -1.08 0.00 0.00 178.44 176.51 1h92 s GLU 35 N -2.97 0.39 -0.39 1.13 2.02 -0.77 -4.95 118.70 113.16 1h92 s GLU 35 Ca 0.03 -0.16 0.12 0.00 0.02 0.00 0.00 54.97 54.98 1h92 s GLU 35 Cb 0.08 -0.38 0.40 0.00 0.10 0.00 0.00 34.13 34.34 1h92 s GLU 35 CO 0.75 0.09 0.91 1.04 0.02 0.00 0.00 175.26 178.07 1h92 n GLN 36 N 3.00 1.73 -4.39 1.61 6.02 -1.26 -2.27 117.38 121.81 1h92 n GLN 36 Ca -0.13 -3.70 -0.31 0.00 -0.01 0.00 0.00 57.00 52.85 1h92 n GLN 36 Cb 0.58 -1.68 -0.11 0.00 1.02 0.00 0.00 30.24 30.06 1h92 n GLN 36 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1h92 s SER 37 N -3.01 4.38 0.74 1.08 0.15 -1.26 -5.02 113.70 110.76 1h92 s SER 37 Ca 0.37 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.72 1h92 s SER 37 Cb 0.39 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 1h92 s SER 37 CO -0.06 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.22 1h92 n GLY 38 N 1.17 -0.82 0.12 9.45 0.00 -1.26 -4.01 105.19 109.84 1h92 n GLY 38 Ca -0.15 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 1h92 n GLY 38 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h92 h GLU 39 N 0.00 0.27 -5.96 1.61 5.08 -2.00 -3.44 114.58 110.14 1h92 h GLU 39 Ca 0.00 -0.34 -0.60 0.00 -1.00 0.00 0.00 59.36 57.42 1h92 h GLU 39 Cb 0.00 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 1h92 h GLU 39 CO 0.00 1.08 -0.19 -1.58 -1.00 0.00 0.00 179.01 177.33 1h92 s TRP 40 N -3.02 3.69 0.22 4.33 0.52 -1.26 -2.98 118.94 120.44 1h92 s TRP 40 Ca -0.04 0.98 0.11 0.00 0.02 0.00 0.00 56.10 57.17 1h92 s TRP 40 Cb 0.09 -2.34 -0.05 0.00 -1.15 0.00 0.00 33.47 30.02 1h92 s TRP 40 CO 0.86 0.55 -0.22 -1.58 0.02 0.00 0.00 176.95 176.57 1h92 s TRP 41 N -0.74 2.26 -0.09 -1.98 0.51 -0.83 -4.29 118.94 113.78 1h92 s TRP 41 Ca 0.24 -0.36 -0.09 0.00 -2.12 0.00 0.00 56.10 53.77 1h92 s TRP 41 Cb -0.16 -1.08 -0.04 0.00 -0.81 0.00 0.00 33.47 31.38 1h92 s TRP 41 CO 0.13 0.55 0.21 0.15 -0.51 0.00 0.00 176.95 177.48 1h92 s LYS 42 N -2.94 3.59 0.29 4.98 1.02 -0.96 -0.85 119.74 124.87 1h92 s LYS 42 Ca 0.23 0.01 -0.06 0.00 0.02 0.00 0.00 55.97 56.17 1h92 s LYS 42 Cb -0.07 -3.21 -0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1h92 s LYS 42 CO 0.11 0.74 0.44 0.00 -0.92 0.00 0.00 175.35 175.71 1h92 s ALA 43 N -0.98 0.43 0.02 5.17 0.00 -0.85 -1.18 121.76 124.36 1h92 s ALA 43 Ca 0.17 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 1h92 s ALA 43 Cb -0.13 1.15 -0.02 0.00 0.00 0.00 0.00 23.12 24.12 1h92 s ALA 43 CO 0.06 -0.79 -0.00 -1.14 0.00 0.00 0.00 175.76 173.89 1h92 s GLN 44 N -3.54 0.31 -0.41 0.00 0.74 0.04 -0.97 119.66 115.84 1h92 s GLN 44 Ca 0.28 -0.54 -0.18 0.00 0.05 0.00 0.00 55.36 54.98 1h92 s GLN 44 Cb 0.00 0.12 0.02 0.00 1.10 0.00 0.00 33.01 34.25 1h92 s GLN 44 CO 0.15 -0.06 0.46 0.45 -0.55 0.00 0.00 175.29 175.74 1h92 s SER 45 N -1.34 6.21 0.00 6.67 0.15 0.26 0.59 113.70 126.24 1h92 s SER 45 Ca -0.15 -0.58 0.18 0.00 0.70 0.00 0.00 55.95 56.11 1h92 s SER 45 Cb -0.09 -2.23 1.01 0.00 -1.71 0.00 0.00 66.02 63.00 1h92 s SER 45 CO -0.01 -0.58 1.51 0.18 1.20 0.00 0.00 173.24 175.54 1h92 n LEU 46 N 5.66 0.00 0.04 3.45 4.77 -1.26 0.23 117.00 129.90 1h92 n LEU 46 Ca -0.07 0.12 -0.04 0.00 -0.03 0.00 0.00 56.01 55.99 1h92 n LEU 46 Cb 0.48 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1h92 n LEU 46 CO 0.46 -0.05 -0.13 0.74 -1.33 0.00 0.00 177.39 177.08 1h92 h THR 47 N 0.00 1.00 0.00 -5.08 2.02 -1.91 -3.38 112.91 105.57 1h92 h THR 47 Ca 0.00 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.52 1h92 h THR 47 Cb 0.07 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1h92 h THR 47 CO 0.00 0.57 0.00 0.35 0.37 0.00 0.00 175.52 176.81 1h92 n THR 48 N -3.12 0.00 -2.98 3.16 -2.24 -1.04 -5.02 114.28 103.05 1h92 n THR 48 Ca -0.08 -0.30 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 1h92 n THR 48 Cb 0.92 1.21 0.04 0.00 -2.10 0.00 0.00 70.33 70.40 1h92 n THR 48 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h92 n GLY 49 N 0.28 0.25 3.51 3.38 0.00 0.14 -5.03 105.19 107.72 1h92 n GLY 49 Ca 0.00 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 1h92 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h92 s GLN 50 N -5.57 2.01 0.05 1.61 -0.21 -1.10 -4.92 119.66 111.53 1h92 s GLN 50 Ca 0.26 -1.05 0.09 0.00 0.02 0.00 0.00 55.36 54.69 1h92 s GLN 50 Cb -0.12 -2.21 -0.03 0.00 1.00 0.00 0.00 33.01 31.65 1h92 s GLN 50 CO 0.33 0.51 -0.25 -2.00 -2.12 0.00 0.00 175.29 171.76 1h92 s GLU 51 N -1.90 1.72 0.00 2.91 2.12 -1.26 0.90 118.70 123.19 1h92 s GLU 51 Ca 0.18 -1.08 0.00 0.00 0.36 0.00 0.00 54.97 54.43 1h92 s GLU 51 Cb -0.11 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.40 1h92 s GLU 51 CO 0.09 0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.71 1h92 n GLY 52 N 1.79 3.03 3.21 -1.50 0.00 -0.14 -4.78 105.19 106.80 1h92 n GLY 52 Ca -0.17 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 1h92 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h92 s PHE 53 N -1.48 1.80 -0.01 1.61 0.08 -1.24 -2.01 117.98 116.73 1h92 s PHE 53 Ca 0.00 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.72 1h92 s PHE 53 Cb 0.00 -1.16 0.00 0.00 -0.57 0.00 0.00 43.02 41.30 1h92 s PHE 53 CO 0.00 -0.03 -0.04 0.96 -0.10 0.00 0.00 175.22 176.01 1h92 s ILE 54 N -0.48 0.39 0.66 0.64 -5.25 -0.03 -2.99 121.20 114.14 1h92 s ILE 54 Ca 0.08 -0.17 -0.17 0.00 -0.99 0.00 0.00 60.65 59.40 1h92 s ILE 54 Cb -0.08 -0.36 -0.00 0.00 2.95 0.00 0.00 42.46 44.97 1h92 s ILE 54 CO -0.01 0.13 1.19 -2.16 -1.79 0.00 0.00 174.94 172.31 1h92 s PRO 55 N 0.12 2.61 0.00 0.37 0.04 -1.26 -1.96 135.00 134.92 1h92 s PRO 55 Ca -0.01 1.74 0.18 0.00 0.04 0.00 0.00 61.00 62.95 1h92 s PRO 55 Cb -0.05 -1.89 0.85 0.00 0.04 0.00 0.00 34.50 33.45 1h92 s PRO 55 CO -0.00 -1.47 1.57 1.97 0.04 0.00 0.00 177.00 179.11 1h92 n PHE 56 N -2.17 0.00 -0.01 0.56 -1.74 -1.16 -2.96 117.46 109.99 1h92 n PHE 56 Ca 0.13 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 57.01 1h92 n PHE 56 Cb 0.50 -0.40 -0.12 0.00 1.52 0.00 0.00 39.48 40.98 1h92 n PHE 56 CO 0.00 0.00 0.00 -1.71 -0.56 0.00 0.00 176.76 174.49 1h92 n ASN 57 N -1.40 0.52 -0.09 5.98 2.85 -1.26 -3.98 115.26 117.87 1h92 n ASN 57 Ca 0.06 0.23 0.15 0.00 -0.11 0.00 0.00 54.58 54.92 1h92 n ASN 57 Cb 0.18 0.64 0.86 0.00 1.24 0.00 0.00 39.78 42.70 1h92 n ASN 57 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1h92 n PHE 58 N -2.76 0.00 -4.12 1.20 3.01 -1.15 -4.76 117.46 108.87 1h92 n PHE 58 Ca -0.15 -0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.20 1h92 n PHE 58 Cb 0.89 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.28 1h92 n PHE 58 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1h92 s VAL 59 N -2.00 0.00 -0.01 -4.37 1.01 -1.25 0.73 120.40 114.51 1h92 s VAL 59 Ca 0.46 -1.76 -0.26 0.00 0.00 0.00 0.00 61.98 60.42 1h92 s VAL 59 Cb 0.22 -2.39 0.06 0.00 0.00 0.00 0.00 36.38 34.27 1h92 s VAL 59 CO 0.36 0.00 0.58 0.00 0.00 0.00 0.00 175.10 176.04 1h92 s ALA 60 N -4.08 -1.49 0.02 5.51 0.00 -1.25 -4.88 121.76 115.59 1h92 s ALA 60 Ca 0.32 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 52.94 1h92 s ALA 60 Cb 0.04 0.13 -0.07 0.00 0.00 0.00 0.00 23.12 23.21 1h92 s ALA 60 CO 0.11 -0.39 1.68 0.21 0.00 0.00 0.00 175.76 177.37 1h92 s LYS 61 N -1.58 4.19 0.38 0.00 2.20 -1.26 -4.14 119.74 119.53 1h92 s LYS 61 Ca -0.10 2.30 0.08 0.00 -0.36 0.00 0.00 55.97 57.89 1h92 s LYS 61 Cb -0.01 -3.79 0.82 0.00 -1.51 0.00 0.00 37.83 33.34 1h92 s LYS 61 CO 0.06 -0.79 1.97 0.00 -0.36 0.00 0.00 175.35 176.23 1h92 h ALA 62 N 8.95 1.77 -0.00 3.13 0.00 -1.96 -3.50 119.26 127.65 1h92 h ALA 62 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1h92 h ALA 62 Cb 1.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1h92 h ALA 62 CO 0.94 0.12 0.00 -1.71 0.00 0.00 0.00 179.25 178.60