#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cuh n SER 2 N 0.00 -1.76 -3.72 1.61 3.41 -1.26 -4.89 113.62 107.01 2cuh n SER 2 Ca 0.00 -1.25 -0.12 0.00 -0.26 0.00 0.00 58.87 57.24 2cuh n SER 2 Cb 0.00 -1.60 -0.12 0.00 -0.26 0.00 0.00 64.21 62.23 2cuh n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cuh s SER 3 N -3.27 -0.34 0.00 4.04 0.01 -1.26 -5.04 113.70 107.84 2cuh s SER 3 Ca 0.82 0.64 0.00 0.00 1.31 0.00 0.00 55.95 58.72 2cuh s SER 3 Cb -0.48 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.29 2cuh s SER 3 CO 1.03 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 175.12 2cuh n GLY 4 N 4.12 4.28 2.13 3.44 0.00 -1.26 -5.16 105.19 112.74 2cuh n GLY 4 Ca -0.24 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 2cuh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cuh n SER 5 N 0.00 -3.08 -3.75 1.61 2.88 -1.26 -4.88 113.62 105.14 2cuh n SER 5 Ca 0.00 -0.48 -0.41 0.00 -1.33 0.00 0.00 58.87 56.65 2cuh n SER 5 Cb 0.00 -0.62 0.01 0.00 -0.75 0.00 0.00 64.21 62.86 2cuh n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cuh n SER 6 N -3.51 6.89 0.00 -3.46 3.41 -1.26 -4.62 113.62 111.06 2cuh n SER 6 Ca 0.08 -3.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.10 2cuh n SER 6 Cb 0.33 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 2cuh n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cuh n GLY 7 N 0.46 0.21 0.00 5.00 0.00 -1.26 -5.04 105.19 104.55 2cuh n GLY 7 Ca 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2cuh n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cuh n PRO 8 N 0.00 -0.04 -0.00 1.61 -0.04 -1.26 -4.78 135.00 130.48 2cuh n PRO 8 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2cuh n PRO 8 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 2cuh n PRO 8 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2cuh n ASP 9 N -1.55 0.75 -4.71 3.54 8.00 -1.26 -4.42 116.55 116.90 2cuh n ASP 9 Ca 0.00 -0.46 -0.31 0.00 0.71 0.00 0.00 54.79 54.72 2cuh n ASP 9 Cb 0.00 1.44 -0.05 0.00 -0.02 0.00 0.00 41.12 42.49 2cuh n ASP 9 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cuh n GLY 10 N 1.43 3.40 3.76 0.44 0.00 -1.26 -4.71 105.19 108.24 2cuh n GLY 10 Ca -0.00 -2.36 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 2cuh n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cuh s PRO 11 N -3.92 4.44 0.31 1.61 0.04 -1.26 -4.55 135.00 131.68 2cuh s PRO 11 Ca 0.06 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.20 2cuh s PRO 11 Cb -0.01 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.37 2cuh s PRO 11 CO 0.04 -0.10 0.30 0.95 0.04 0.00 0.00 177.00 178.23 2cuh s THR 12 N -0.77 0.00 -1.44 1.26 -4.23 -1.25 -4.42 115.64 104.80 2cuh s THR 12 Ca 0.50 -1.90 -0.07 0.00 -1.18 0.00 0.00 61.69 59.04 2cuh s THR 12 Cb -0.37 -2.52 0.05 0.00 1.34 0.00 0.00 72.50 70.99 2cuh s THR 12 CO 0.45 0.00 0.79 0.00 -0.54 0.00 0.00 174.62 175.33 2cuh n GLN 13 N -0.55 -4.90 -2.08 3.99 1.13 -1.26 -2.94 117.38 110.76 2cuh n GLN 13 Ca 0.05 0.57 -0.42 0.00 -1.94 0.00 0.00 57.00 55.26 2cuh n GLN 13 Cb 0.63 -5.23 -0.03 0.00 0.11 0.00 0.00 30.24 25.72 2cuh n GLN 13 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2cuh s LEU 14 N -7.01 4.38 0.16 1.08 2.96 -1.26 -4.65 118.68 114.34 2cuh s LEU 14 Ca 0.33 2.46 0.07 0.00 -0.22 0.00 0.00 54.13 56.76 2cuh s LEU 14 Cb -0.17 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 2cuh s LEU 14 CO 0.84 -0.70 -0.14 -0.60 -1.32 0.00 0.00 176.35 174.43 2cuh s ARG 15 N 0.82 1.16 -0.44 1.98 3.52 -1.13 -4.99 118.95 119.86 2cuh s ARG 15 Ca 0.65 -1.40 -0.13 0.00 -0.13 0.00 0.00 55.73 54.72 2cuh s ARG 15 Cb -0.39 -0.99 0.07 0.00 -1.56 0.00 0.00 34.95 32.08 2cuh s ARG 15 CO 0.33 0.18 0.33 0.00 -0.81 0.00 0.00 175.30 175.33 2cuh s ALA 16 N -2.56 3.45 0.81 6.12 0.00 -1.26 -3.91 121.76 124.42 2cuh s ALA 16 Ca 0.15 -2.07 -0.12 0.00 0.00 0.00 0.00 51.96 49.92 2cuh s ALA 16 Cb -0.03 -2.90 0.09 0.00 0.00 0.00 0.00 23.12 20.29 2cuh s ALA 16 CO 0.04 -1.66 1.17 -0.48 0.00 0.00 0.00 175.76 174.83 2cuh s LEU 17 N 1.57 2.57 0.09 0.00 2.34 -1.26 -5.01 118.68 118.98 2cuh s LEU 17 Ca 0.04 0.66 -0.31 0.00 0.06 0.00 0.00 54.13 54.58 2cuh s LEU 17 Cb -0.23 -3.12 -0.07 0.00 -0.56 0.00 0.00 46.19 42.21 2cuh s LEU 17 CO 0.05 -1.97 1.27 0.20 -1.06 0.00 0.00 176.35 174.84 2cuh s ASN 18 N -4.61 6.98 0.87 1.48 -0.87 -1.26 -4.93 114.94 112.60 2cuh s ASN 18 Ca 0.63 2.15 -0.10 0.00 -1.57 0.00 0.00 52.86 53.97 2cuh s ASN 18 Cb -0.10 -2.58 0.12 0.00 -0.02 0.00 0.00 41.25 38.66 2cuh s ASN 18 CO 0.49 -0.53 1.12 -0.76 -2.57 0.00 0.00 177.10 174.85 2cuh s LEU 19 N 0.98 2.86 -0.13 0.60 1.02 -1.26 -4.98 118.68 117.77 2cuh s LEU 19 Ca 0.60 2.03 -0.01 0.00 0.02 0.00 0.00 54.13 56.78 2cuh s LEU 19 Cb -0.32 -4.51 0.04 0.00 0.02 0.00 0.00 46.19 41.41 2cuh s LEU 19 CO 0.30 -2.74 -0.04 0.28 0.02 0.00 0.00 176.35 174.18 2cuh s THR 20 N -2.74 0.83 -1.42 5.49 -1.32 -0.86 -4.83 115.64 110.78 2cuh s THR 20 Ca 0.65 -0.32 -0.03 0.00 -1.21 0.00 0.00 61.69 60.78 2cuh s THR 20 Cb -0.21 -0.99 0.02 0.00 -1.51 0.00 0.00 72.50 69.81 2cuh s THR 20 CO 0.57 0.19 0.55 1.21 -2.21 0.00 0.00 174.62 174.93 2cuh n GLU 21 N 4.99 -3.77 -2.75 7.08 2.13 -1.26 -0.76 120.64 126.29 2cuh n GLU 21 Ca -0.10 0.46 -0.16 0.00 0.66 0.00 0.00 57.16 58.01 2cuh n GLU 21 Cb 0.49 -4.78 0.02 0.00 0.27 0.00 0.00 31.44 27.44 2cuh n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2cuh n GLY 22 N -1.83 -0.22 2.95 8.31 0.00 -1.26 -5.00 105.19 108.14 2cuh n GLY 22 Ca -0.25 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 2cuh n GLY 22 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cuh s PHE 23 N -2.98 2.62 -0.22 1.61 5.36 0.06 -5.00 117.98 119.43 2cuh s PHE 23 Ca 0.20 -1.97 -0.11 0.00 -0.96 0.00 0.00 56.93 54.08 2cuh s PHE 23 Cb -0.09 -1.79 -0.05 0.00 -0.34 0.00 0.00 43.02 40.76 2cuh s PHE 23 CO 0.24 -0.82 0.20 0.00 -1.46 0.00 0.00 175.22 173.38 2cuh s ALA 24 N 1.32 3.62 0.14 11.12 0.00 -1.25 -2.03 121.76 134.69 2cuh s ALA 24 Ca -0.03 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.24 2cuh s ALA 24 Cb -0.19 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 2cuh s ALA 24 CO -0.08 -0.08 -0.12 0.14 0.00 0.00 0.00 175.76 175.61 2cuh s VAL 25 N 0.85 1.30 0.29 0.00 -7.23 -1.26 -0.58 120.40 113.76 2cuh s VAL 25 Ca 0.10 -1.89 -0.05 0.00 -1.81 0.00 0.00 61.98 58.33 2cuh s VAL 25 Cb -0.13 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.07 2cuh s VAL 25 CO 0.03 -0.56 0.56 -0.76 -0.31 0.00 0.00 175.10 174.06 2cuh s LEU 26 N -2.80 4.06 -0.08 1.32 1.43 -1.09 -4.63 118.68 116.89 2cuh s LEU 26 Ca 0.13 0.73 -0.02 0.00 -1.03 0.00 0.00 54.13 53.95 2cuh s LEU 26 Cb -0.02 -3.55 0.03 0.00 0.03 0.00 0.00 46.19 42.69 2cuh s LEU 26 CO 0.02 -0.19 0.01 -2.28 0.23 0.00 0.00 176.35 174.15 2cuh s HIS 27 N -2.07 0.62 0.12 0.29 2.46 -1.25 -3.65 115.29 111.80 2cuh s HIS 27 Ca 0.44 -0.18 0.06 0.00 0.47 0.00 0.00 55.06 55.85 2cuh s HIS 27 Cb -0.11 -0.78 -0.04 0.00 -0.13 0.00 0.00 32.58 31.52 2cuh s HIS 27 CO 0.29 -0.34 -0.14 1.67 -2.47 0.00 0.00 174.74 173.75 2cuh s TRP 28 N 1.99 1.40 -0.21 3.88 -2.14 -1.22 -2.83 118.94 119.82 2cuh s TRP 28 Ca 0.04 -0.54 -0.17 0.00 2.66 0.00 0.00 56.10 58.10 2cuh s TRP 28 Cb -0.13 -0.74 -0.03 0.00 -3.10 0.00 0.00 33.47 29.47 2cuh s TRP 28 CO -0.05 0.14 0.46 0.21 -2.66 0.00 0.00 176.95 175.05 2cuh s LYS 29 N -2.53 4.16 0.07 3.25 2.20 -1.15 -4.83 119.74 120.91 2cuh s LYS 29 Ca 0.08 0.30 -0.31 0.00 -0.36 0.00 0.00 55.97 55.68 2cuh s LYS 29 Cb -0.06 -3.57 -0.07 0.00 -1.51 0.00 0.00 37.83 32.63 2cuh s LYS 29 CO 0.03 -0.13 1.40 -1.25 -0.36 0.00 0.00 175.35 175.03 2cuh s PRO 30 N 1.60 4.31 1.10 4.03 0.04 -1.26 -3.78 135.00 141.04 2cuh s PRO 30 Ca 0.21 2.03 -0.16 0.00 0.04 0.00 0.00 61.00 63.13 2cuh s PRO 30 Cb -0.15 -3.39 0.24 0.00 0.04 0.00 0.00 34.50 31.24 2cuh s PRO 30 CO 0.09 -0.49 1.10 -1.25 0.04 0.00 0.00 177.00 176.49 2cuh s PRO 31 N 1.65 -0.43 0.28 0.56 0.04 -1.26 -4.92 135.00 130.92 2cuh s PRO 31 Ca 0.64 0.21 0.02 0.00 0.04 0.00 0.00 61.00 61.91 2cuh s PRO 31 Cb -0.35 -1.66 0.64 0.00 0.04 0.00 0.00 34.50 33.17 2cuh s PRO 31 CO 0.29 -3.24 1.74 0.37 0.04 0.00 0.00 177.00 176.19 2cuh h GLN 32 N -2.25 0.54 -5.22 4.56 4.15 -1.87 -3.38 115.11 111.64 2cuh h GLN 32 Ca -0.50 -0.03 -0.64 0.00 0.77 0.00 0.00 58.65 58.25 2cuh h GLN 32 Cb 1.31 -0.12 -0.22 0.00 0.21 0.00 0.00 27.48 28.66 2cuh h GLN 32 CO 0.46 0.36 -0.66 1.21 -1.93 0.00 0.00 178.83 178.27 2cuh s ASN 33 N -5.32 4.83 0.13 -0.69 2.47 -1.26 -5.09 114.94 110.01 2cuh s ASN 33 Ca -0.12 -0.16 -0.31 0.00 0.42 0.00 0.00 52.86 52.70 2cuh s ASN 33 Cb 0.24 -1.81 -0.08 0.00 -1.45 0.00 0.00 41.25 38.15 2cuh s ASN 33 CO 0.78 0.12 1.35 -2.16 -3.72 0.00 0.00 177.10 173.47 2cuh s PRO 34 N 0.64 4.35 0.83 0.43 0.04 -1.26 -4.93 135.00 135.11 2cuh s PRO 34 Ca -0.01 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 2cuh s PRO 34 Cb -0.14 -3.24 0.19 0.00 0.04 0.00 0.00 34.50 31.35 2cuh s PRO 34 CO 0.02 -0.37 1.08 1.33 0.04 0.00 0.00 177.00 179.10 2cuh n VAL 35 N 3.62 0.00 -0.07 -0.36 0.24 -1.26 -5.04 118.33 115.46 2cuh n VAL 35 Ca 0.10 -0.76 -0.05 0.00 -2.04 0.00 0.00 64.34 61.59 2cuh n VAL 35 Cb 0.43 -1.55 -0.02 0.00 -1.47 0.00 0.00 33.84 31.23 2cuh n VAL 35 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2cuh n ASP 36 N -3.80 1.81 -3.90 -1.34 8.00 -0.99 -3.84 116.55 112.49 2cuh n ASP 36 Ca 0.14 0.61 -0.11 0.00 0.71 0.00 0.00 54.79 56.13 2cuh n ASP 36 Cb 0.48 -0.86 -0.13 0.00 -0.02 0.00 0.00 41.12 40.59 2cuh n ASP 36 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2cuh s THR 37 N -2.30 0.03 -0.22 -3.53 -4.23 -1.24 0.40 115.64 104.56 2cuh s THR 37 Ca -0.16 -0.28 -0.11 0.00 -1.18 0.00 0.00 61.69 59.96 2cuh s THR 37 Cb 0.02 -0.11 -0.05 0.00 1.34 0.00 0.00 72.50 73.70 2cuh s THR 37 CO 0.24 -0.15 0.18 -0.31 -0.54 0.00 0.00 174.62 174.04 2cuh s TYR 38 N -0.45 3.37 -0.50 3.99 2.02 0.71 -0.55 117.35 125.94 2cuh s TYR 38 Ca -0.05 0.33 -0.18 0.00 -0.37 0.00 0.00 57.07 56.80 2cuh s TYR 38 Cb -0.03 -2.26 0.06 0.00 -0.40 0.00 0.00 41.96 39.33 2cuh s TYR 38 CO -0.00 0.15 0.58 0.34 -1.57 0.00 0.00 175.55 175.05 2cuh s ASP 39 N 0.75 6.21 -0.23 2.29 2.15 -0.92 -2.97 116.67 123.95 2cuh s ASP 39 Ca 0.09 -1.03 -0.06 0.00 0.43 0.00 0.00 52.55 51.98 2cuh s ASP 39 Cb -0.13 -2.27 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 2cuh s ASP 39 CO 0.02 -0.85 0.04 -0.63 -0.17 0.00 0.00 175.17 173.59 2cuh s ILE 40 N 2.42 4.22 -0.21 4.11 1.01 -1.16 -1.69 121.20 129.89 2cuh s ILE 40 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 2cuh s ILE 40 Cb -0.21 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.31 2cuh s ILE 40 CO 0.10 0.38 -0.06 0.00 0.00 0.00 0.00 174.94 175.37 2cuh s GLN 41 N 1.30 3.35 -0.25 2.79 -2.07 -0.78 -2.71 119.66 121.30 2cuh s GLN 41 Ca 0.05 -0.64 -0.03 0.00 -1.82 0.00 0.00 55.36 52.91 2cuh s GLN 41 Cb -0.15 -2.95 0.01 0.00 -1.09 0.00 0.00 33.01 28.83 2cuh s GLN 41 CO 0.03 -0.17 -0.04 0.08 -1.32 0.00 0.00 175.29 173.86 2cuh s VAL 42 N 1.39 3.13 0.23 3.63 1.01 -0.28 -1.64 120.40 127.87 2cuh s VAL 42 Ca 0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 2cuh s VAL 42 Cb -0.14 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 2cuh s VAL 42 CO -0.04 0.25 0.22 0.42 0.00 0.00 0.00 175.10 175.96 2cuh s THR 43 N 1.39 0.00 -0.12 3.92 -4.23 -1.12 -0.33 115.64 115.15 2cuh s THR 43 Ca 0.02 -1.88 -0.32 0.00 -1.18 0.00 0.00 61.69 58.33 2cuh s THR 43 Cb -0.16 -2.46 0.13 0.00 1.34 0.00 0.00 72.50 71.35 2cuh s THR 43 CO -0.03 0.00 1.08 0.00 -0.54 0.00 0.00 174.62 175.13 2cuh s ALA 44 N -4.01 -1.97 -0.53 3.99 0.00 -1.26 -1.83 121.76 116.15 2cuh s ALA 44 Ca 0.36 1.39 -0.27 0.00 0.00 0.00 0.00 51.96 53.44 2cuh s ALA 44 Cb 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 2cuh s ALA 44 CO 0.13 -0.61 1.81 -1.25 0.00 0.00 0.00 175.76 175.85 2cuh s PRO 45 N -2.60 2.86 0.00 0.00 0.04 -1.26 -2.55 135.00 131.47 2cuh s PRO 45 Ca 0.07 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.93 2cuh s PRO 45 Cb -0.01 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.21 2cuh s PRO 45 CO -0.06 -2.45 0.00 0.41 0.04 0.00 0.00 177.00 174.94 2cuh n GLY 46 N 5.59 2.65 3.89 0.56 0.00 -1.26 -5.04 105.19 111.58 2cuh n GLY 46 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 2cuh n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cuh s ALA 47 N -2.56 3.60 0.47 4.61 0.00 -1.06 -5.07 121.76 121.75 2cuh s ALA 47 Ca 0.00 -0.40 -0.23 0.00 0.00 0.00 0.00 51.96 51.33 2cuh s ALA 47 Cb 0.00 -2.37 -0.07 0.00 0.00 0.00 0.00 23.12 20.68 2cuh s ALA 47 CO 0.00 0.41 1.16 -1.25 0.00 0.00 0.00 175.76 176.08 2cuh s PRO 48 N -3.11 3.72 0.47 0.00 0.04 -1.26 -4.29 135.00 130.58 2cuh s PRO 48 Ca 0.46 1.75 -0.23 0.00 0.04 0.00 0.00 61.00 63.02 2cuh s PRO 48 Cb -0.11 -2.37 -0.07 0.00 0.04 0.00 0.00 34.50 31.99 2cuh s PRO 48 CO 0.25 -0.58 1.16 -1.25 0.04 0.00 0.00 177.00 176.63 2cuh s PRO 49 N -2.76 3.72 -0.04 0.56 0.04 -1.26 -4.72 135.00 130.54 2cuh s PRO 49 Ca 0.64 1.76 0.01 0.00 0.04 0.00 0.00 61.00 63.45 2cuh s PRO 49 Cb -0.28 -2.37 0.02 0.00 0.04 0.00 0.00 34.50 31.91 2cuh s PRO 49 CO 0.34 -0.58 -0.03 -1.17 0.04 0.00 0.00 177.00 175.60 2cuh s LEU 50 N -3.10 1.22 -0.10 -3.56 2.96 0.55 -5.02 118.68 111.63 2cuh s LEU 50 Ca 0.64 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 2cuh s LEU 50 Cb -0.28 -0.40 0.01 0.00 0.50 0.00 0.00 46.19 46.01 2cuh s LEU 50 CO 0.34 -0.08 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.52 2cuh s GLN 51 N 1.05 2.56 0.19 1.98 2.00 -1.26 -1.12 119.66 125.06 2cuh s GLN 51 Ca -0.09 -0.70 -0.01 0.00 -2.00 0.00 0.00 55.36 52.56 2cuh s GLN 51 Cb -0.14 -2.02 -0.04 0.00 0.80 0.00 0.00 33.01 31.61 2cuh s GLN 51 CO -0.01 0.08 0.11 0.00 -0.50 0.00 0.00 175.29 174.97 2cuh s ALA 52 N 0.59 1.14 0.03 1.58 0.00 -1.10 -5.06 121.76 118.94 2cuh s ALA 52 Ca -0.14 -1.66 -0.14 0.00 0.00 0.00 0.00 51.96 50.01 2cuh s ALA 52 Cb -0.17 1.24 0.02 0.00 0.00 0.00 0.00 23.12 24.21 2cuh s ALA 52 CO 0.05 -0.55 0.32 -2.00 0.00 0.00 0.00 175.76 173.57 2cuh s GLU 53 N -4.12 0.78 -0.00 0.00 2.12 -1.26 -2.99 118.70 113.23 2cuh s GLU 53 Ca 0.35 -0.41 -0.15 0.00 0.36 0.00 0.00 54.97 55.12 2cuh s GLU 53 Cb 0.07 0.34 0.02 0.00 0.26 0.00 0.00 34.13 34.83 2cuh s GLU 53 CO 0.10 -0.25 0.31 -0.08 -0.54 0.00 0.00 175.26 174.80 2cuh s THR 54 N -2.23 0.06 0.50 -1.70 -1.32 -1.16 -4.96 115.64 104.83 2cuh s THR 54 Ca -0.07 -0.52 -0.21 0.00 -1.21 0.00 0.00 61.69 59.67 2cuh s THR 54 Cb -0.02 -0.70 -0.07 0.00 -1.51 0.00 0.00 72.50 70.21 2cuh s THR 54 CO -0.01 -0.29 1.15 -2.16 -2.21 0.00 0.00 174.62 171.10 2cuh s PRO 55 N -1.63 3.57 0.47 7.08 0.04 -1.26 -0.21 135.00 143.06 2cuh s PRO 55 Ca -0.11 1.70 0.26 0.00 0.04 0.00 0.00 61.00 62.89 2cuh s PRO 55 Cb -0.04 -2.22 1.31 0.00 0.04 0.00 0.00 34.50 33.59 2cuh s PRO 55 CO 0.02 -0.69 1.82 0.78 0.04 0.00 0.00 177.00 178.98 2cuh h GLY 56 N 1.65 0.56 1.23 0.56 0.00 -0.15 0.25 103.07 107.17 2cuh h GLY 56 Ca -0.50 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.73 2cuh h GLY 56 CO 0.59 -0.05 0.33 1.48 0.00 0.00 0.00 176.54 178.89 2cuh h SER 57 N 0.20 0.00 -3.16 0.19 4.64 -1.84 -3.41 113.55 110.18 2cuh h SER 57 Ca 0.52 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.33 2cuh h SER 57 Cb 1.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.77 2cuh h SER 57 CO -0.13 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 175.66 2cuh s ALA 58 N -3.64 3.65 0.00 5.18 0.00 0.89 -5.01 121.76 122.83 2cuh s ALA 58 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2cuh s ALA 58 Cb 0.06 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.91 2cuh s ALA 58 CO 0.18 0.26 0.86 1.33 0.00 0.00 0.00 175.76 178.39 2cuh n VAL 59 N -0.91 0.73 -3.57 0.00 0.24 -1.26 -4.98 118.33 108.58 2cuh n VAL 59 Ca -0.02 -0.73 -0.07 0.00 -2.04 0.00 0.00 64.34 61.47 2cuh n VAL 59 Cb 0.54 0.64 -0.03 0.00 -1.47 0.00 0.00 33.84 33.52 2cuh n VAL 59 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2cuh s ASP 60 N -0.73 -0.27 -0.11 -1.34 1.47 -1.26 -3.39 116.67 111.03 2cuh s ASP 60 Ca 0.00 0.15 -0.04 0.00 1.18 0.00 0.00 52.55 53.84 2cuh s ASP 60 Cb 0.00 0.26 0.05 0.00 -0.34 0.00 0.00 42.92 42.88 2cuh s ASP 60 CO 0.00 -0.36 0.08 -0.47 0.68 0.00 0.00 175.17 175.10 2cuh s TYR 61 N -2.01 0.15 0.55 2.11 5.04 -1.24 -4.99 117.35 116.97 2cuh s TYR 61 Ca 0.04 -0.07 -0.19 0.00 -2.44 0.00 0.00 57.07 54.40 2cuh s TYR 61 Cb -0.01 -0.61 -0.06 0.00 0.35 0.00 0.00 41.96 41.64 2cuh s TYR 61 CO -0.04 -0.37 1.13 -1.25 -1.34 0.00 0.00 175.55 173.67 2cuh s PRO 62 N 2.15 3.33 -0.04 4.97 0.04 -1.26 -2.67 135.00 141.51 2cuh s PRO 62 Ca 0.03 1.60 0.02 0.00 0.04 0.00 0.00 61.00 62.69 2cuh s PRO 62 Cb -0.14 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.40 2cuh s PRO 62 CO -0.06 -0.87 -0.09 -0.51 0.04 0.00 0.00 177.00 175.51 2cuh s LEU 63 N -3.86 1.67 0.39 -3.56 1.43 0.25 -4.95 118.68 110.06 2cuh s LEU 63 Ca 0.72 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.65 2cuh s LEU 63 Cb -0.24 -0.62 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 2cuh s LEU 63 CO 0.28 0.04 0.10 -1.38 0.23 0.00 0.00 176.35 175.62 2cuh s HIS 64 N 0.43 1.83 -0.67 0.29 -3.43 -1.26 -3.76 115.29 108.72 2cuh s HIS 64 Ca -0.08 -1.18 -0.00 0.00 -0.80 0.00 0.00 55.06 53.01 2cuh s HIS 64 Cb -0.12 -1.20 0.00 0.00 -1.43 0.00 0.00 32.58 29.83 2cuh s HIS 64 CO 0.01 -0.19 0.02 -3.47 -2.00 0.00 0.00 174.74 169.11 2cuh n ASP 65 N -1.10 -2.90 -4.86 7.38 2.03 -1.26 -5.02 116.55 110.80 2cuh n ASP 65 Ca -0.05 -0.02 -0.36 0.00 0.52 0.00 0.00 54.79 54.88 2cuh n ASP 65 Cb 0.66 -2.18 -0.06 0.00 -0.72 0.00 0.00 41.12 38.81 2cuh n ASP 65 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2cuh s LEU 66 N -2.33 4.29 -0.16 -2.67 1.02 -1.26 -5.06 118.68 112.51 2cuh s LEU 66 Ca 0.01 0.40 -0.29 0.00 0.02 0.00 0.00 54.13 54.27 2cuh s LEU 66 Cb -0.00 -2.16 -0.01 0.00 0.02 0.00 0.00 46.19 44.04 2cuh s LEU 66 CO 0.01 0.37 1.25 -0.69 0.02 0.00 0.00 176.35 177.32 2cuh s VAL 67 N -1.08 4.29 0.00 -1.59 1.01 -1.26 -4.96 120.40 116.81 2cuh s VAL 67 Ca 0.17 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.72 2cuh s VAL 67 Cb -0.12 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2cuh s VAL 67 CO 0.07 -0.13 0.75 0.18 0.00 0.00 0.00 175.10 175.97 2cuh n LEU 68 N 6.50 0.00 -3.58 3.92 7.99 -1.26 -2.22 117.00 128.35 2cuh n LEU 68 Ca 0.14 0.75 -0.40 0.00 -0.01 0.00 0.00 56.01 56.49 2cuh n LEU 68 Cb 0.45 -0.25 -0.04 0.00 -0.11 0.00 0.00 43.42 43.47 2cuh n LEU 68 CO 0.56 -0.25 2.33 1.41 -1.51 0.00 0.00 177.39 179.92 2cuh n HIS 69 N -1.98 2.21 -3.63 -1.77 8.25 -1.26 -2.84 115.22 114.20 2cuh n HIS 69 Ca 0.00 -2.14 -0.04 0.00 -0.26 0.00 0.00 57.72 55.28 2cuh n HIS 69 Cb 0.00 -1.93 -0.06 0.00 1.12 0.00 0.00 29.99 29.12 2cuh n HIS 69 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2cuh s THR 70 N 4.27 -0.06 -0.30 1.59 2.01 -0.94 -5.08 115.64 117.13 2cuh s THR 70 Ca 0.53 0.00 -0.26 0.00 0.31 0.00 0.00 61.69 62.27 2cuh s THR 70 Cb 0.14 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.66 2cuh s THR 70 CO 0.04 0.00 0.92 0.54 -0.69 0.00 0.00 174.62 175.44 2cuh s ASN 71 N 1.54 6.81 -0.23 3.53 4.22 -1.26 -3.87 114.94 125.68 2cuh s ASN 71 Ca -0.09 0.89 -0.07 0.00 -2.14 0.00 0.00 52.86 51.45 2cuh s ASN 71 Cb -0.04 -2.47 -0.03 0.00 1.28 0.00 0.00 41.25 39.98 2cuh s ASN 71 CO -0.17 -0.72 0.06 -0.31 -2.04 0.00 0.00 177.10 173.92 2cuh s TYR 72 N 3.25 3.11 -0.24 1.54 2.02 -1.24 -4.58 117.35 121.20 2cuh s TYR 72 Ca 0.39 -0.31 -0.16 0.00 -0.37 0.00 0.00 57.07 56.62 2cuh s TYR 72 Cb -0.13 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.20 2cuh s TYR 72 CO 0.13 -0.24 0.40 0.99 -1.57 0.00 0.00 175.55 175.26 2cuh s THR 73 N 1.30 5.17 0.05 -0.71 2.01 -0.76 -4.03 115.64 118.67 2cuh s THR 73 Ca 0.05 0.66 0.02 0.00 0.31 0.00 0.00 61.69 62.73 2cuh s THR 73 Cb -0.15 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2cuh s THR 73 CO 0.03 0.19 0.07 0.00 -0.69 0.00 0.00 174.62 174.23 2cuh s ALA 74 N 1.78 3.55 -0.27 7.40 0.00 -1.22 -2.80 121.76 130.20 2cuh s ALA 74 Ca 0.17 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 2cuh s ALA 74 Cb -0.15 -1.47 0.09 0.00 0.00 0.00 0.00 23.12 21.58 2cuh s ALA 74 CO 0.09 0.73 0.07 0.99 0.00 0.00 0.00 175.76 177.64 2cuh s THR 75 N -1.31 0.76 -0.04 0.00 2.01 -0.65 -2.96 115.64 113.44 2cuh s THR 75 Ca 0.27 -1.13 -0.15 0.00 0.31 0.00 0.00 61.69 60.99 2cuh s THR 75 Cb -0.12 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 2cuh s THR 75 CO 0.19 -0.53 0.40 -0.69 -0.69 0.00 0.00 174.62 173.30 2cuh s VAL 76 N 1.70 5.11 0.21 3.82 1.01 0.01 -1.87 120.40 130.39 2cuh s VAL 76 Ca 0.06 0.80 -0.00 0.00 0.00 0.00 0.00 61.98 62.84 2cuh s VAL 76 Cb -0.17 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2cuh s VAL 76 CO -0.20 0.51 0.11 -0.13 0.00 0.00 0.00 175.10 175.39 2cuh s ARG 77 N -0.60 1.22 -0.19 2.72 0.52 -0.68 -0.00 118.95 121.94 2cuh s ARG 77 Ca 0.23 -1.64 0.01 0.00 -0.52 0.00 0.00 55.73 53.81 2cuh s ARG 77 Cb -0.16 0.12 0.03 0.00 0.52 0.00 0.00 34.95 35.46 2cuh s ARG 77 CO 0.11 -0.35 -0.15 0.20 0.02 0.00 0.00 175.30 175.14 2cuh s GLY 78 N -3.19 1.34 -0.60 -3.53 0.00 -1.26 -2.16 107.32 97.92 2cuh s GLY 78 Ca 0.37 -1.22 -0.25 0.00 0.00 0.00 0.00 44.72 43.63 2cuh s GLY 78 CO 0.11 0.48 1.01 1.08 0.00 0.00 0.00 173.10 175.78 2cuh s LEU 79 N 1.34 3.99 -0.38 0.66 2.01 0.29 -1.55 118.68 125.03 2cuh s LEU 79 Ca 0.02 -0.47 0.03 0.00 0.01 0.00 0.00 54.13 53.72 2cuh s LEU 79 Cb -0.15 -2.74 0.11 0.00 0.01 0.00 0.00 46.19 43.43 2cuh s LEU 79 CO -0.10 -1.38 0.11 -0.13 1.01 0.00 0.00 176.35 175.86 2cuh s ARG 80 N 4.29 1.48 3.79 1.70 0.52 -1.17 -2.34 118.95 127.22 2cuh s ARG 80 Ca 0.30 -1.95 0.00 0.00 -0.52 0.00 0.00 55.73 53.57 2cuh s ARG 80 Cb -0.12 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.32 2cuh s ARG 80 CO 0.17 -1.00 0.00 0.41 0.02 0.00 0.00 175.30 174.91 2cuh n GLY 81 N 4.04 1.02 0.00 -3.53 0.00 -1.26 -2.25 105.19 103.20 2cuh n GLY 81 Ca 0.04 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.46 2cuh n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cuh n PRO 82 N 0.00 0.49 -4.58 1.61 -0.04 -1.26 -4.73 135.00 126.48 2cuh n PRO 82 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2cuh n PRO 82 Cb 0.00 -1.31 -0.08 0.00 -0.04 0.00 0.00 33.50 32.07 2cuh n PRO 82 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2cuh s ASN 83 N -1.82 4.16 0.21 3.54 0.01 -0.96 -5.16 114.94 114.93 2cuh s ASN 83 Ca 0.15 -1.50 0.06 0.00 -0.71 0.00 0.00 52.86 50.85 2cuh s ASN 83 Cb 0.07 0.23 -0.05 0.00 0.41 0.00 0.00 41.25 41.91 2cuh s ASN 83 CO 0.11 -0.77 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.09 2cuh s LEU 84 N -3.89 2.44 0.48 0.60 1.43 -1.26 -3.02 118.68 115.46 2cuh s LEU 84 Ca 0.18 -1.11 0.08 0.00 -1.03 0.00 0.00 54.13 52.25 2cuh s LEU 84 Cb 0.03 -0.47 0.03 0.00 0.03 0.00 0.00 46.19 45.81 2cuh s LEU 84 CO 0.10 -0.34 0.56 0.42 0.23 0.00 0.00 176.35 177.32 2cuh s THR 85 N -3.19 2.44 -0.04 5.49 -4.23 -0.59 -4.91 115.64 110.61 2cuh s THR 85 Ca 0.24 -1.17 -0.30 0.00 -1.18 0.00 0.00 61.69 59.28 2cuh s THR 85 Cb 0.03 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 71.20 2cuh s THR 85 CO 0.07 0.00 1.61 -0.94 -0.54 0.00 0.00 174.62 174.82 2cuh s SER 86 N -4.37 6.69 0.56 3.99 1.04 -1.26 -4.52 113.70 115.83 2cuh s SER 86 Ca 0.52 2.23 -0.19 0.00 0.48 0.00 0.00 55.95 58.99 2cuh s SER 86 Cb -0.06 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 2cuh s SER 86 CO 0.32 -0.89 1.13 -2.16 0.98 0.00 0.00 173.24 172.61 2cuh s PRO 87 N 3.70 3.25 -0.13 4.02 0.04 -1.26 -4.33 135.00 140.30 2cuh s PRO 87 Ca 0.72 1.58 -0.02 0.00 0.04 0.00 0.00 61.00 63.31 2cuh s PRO 87 Cb -0.33 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.25 2cuh s PRO 87 CO 0.29 -0.92 0.01 0.00 0.04 0.00 0.00 177.00 176.41 2cuh s ALA 88 N -1.87 0.92 0.22 8.56 0.00 1.00 -4.97 121.76 125.61 2cuh s ALA 88 Ca 0.72 -0.43 0.10 0.00 0.00 0.00 0.00 51.96 52.35 2cuh s ALA 88 Cb -0.23 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.89 2cuh s ALA 88 CO 0.30 -0.76 -0.10 0.45 0.00 0.00 0.00 175.76 175.65 2cuh s SER 89 N 1.89 4.17 0.03 0.00 0.15 -1.26 -0.81 113.70 117.87 2cuh s SER 89 Ca 0.02 -0.68 -0.17 0.00 0.70 0.00 0.00 55.95 55.82 2cuh s SER 89 Cb -0.14 -0.66 0.03 0.00 -1.71 0.00 0.00 66.02 63.54 2cuh s SER 89 CO -0.07 0.07 0.38 -0.51 1.20 0.00 0.00 173.24 174.31 2cuh s ILE 90 N -1.96 0.06 -0.33 6.45 2.07 -1.15 -4.96 121.20 121.38 2cuh s ILE 90 Ca 0.27 -0.49 -0.08 0.00 -1.41 0.00 0.00 60.65 58.95 2cuh s ILE 90 Cb -0.08 -0.88 0.02 0.00 0.13 0.00 0.00 42.46 41.66 2cuh s ILE 90 CO 0.16 -0.27 0.12 -0.89 -1.91 0.00 0.00 174.94 172.15 2cuh s THR 91 N -2.16 4.04 -0.06 4.00 2.01 -1.26 -3.43 115.64 118.78 2cuh s THR 91 Ca -0.07 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.08 2cuh s THR 91 Cb -0.02 -3.19 0.02 0.00 0.01 0.00 0.00 72.50 69.32 2cuh s THR 91 CO -0.00 -0.07 -0.09 0.72 -0.69 0.00 0.00 174.62 174.49 2cuh s PHE 92 N 1.48 1.15 0.22 4.92 -0.12 -1.26 -5.04 117.98 119.33 2cuh s PHE 92 Ca 0.01 -0.40 -0.21 0.00 -0.05 0.00 0.00 56.93 56.28 2cuh s PHE 92 Cb -0.18 -0.90 -0.08 0.00 -0.63 0.00 0.00 43.02 41.23 2cuh s PHE 92 CO 0.04 -0.25 0.75 0.99 -0.05 0.00 0.00 175.22 176.70 2cuh s THR 93 N 0.81 4.52 -0.34 -4.49 2.01 -1.26 -3.69 115.64 113.20 2cuh s THR 93 Ca -0.12 1.38 0.10 0.00 0.31 0.00 0.00 61.69 63.35 2cuh s THR 93 Cb -0.15 -3.90 0.72 0.00 0.01 0.00 0.00 72.50 69.18 2cuh s THR 93 CO 0.02 0.24 1.75 0.35 -0.69 0.00 0.00 174.62 176.29 2cuh n THR 94 N 0.83 2.78 -2.68 -0.82 -2.24 -1.22 -4.38 114.28 106.55 2cuh n THR 94 Ca -0.02 -1.50 -0.08 0.00 -2.27 0.00 0.00 64.05 60.18 2cuh n THR 94 Cb 0.51 -0.37 0.06 0.00 -2.10 0.00 0.00 70.33 68.43 2cuh n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cuh n GLY 95 N -0.02 1.45 1.44 3.38 0.00 -1.13 -4.24 105.19 106.08 2cuh n GLY 95 Ca 0.37 -0.84 0.06 0.00 0.00 0.00 0.00 46.02 45.61 2cuh n GLY 95 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2cuh n LEU 96 N -0.28 4.93 -4.51 0.99 -0.00 -1.26 -4.95 117.00 111.92 2cuh n LEU 96 Ca 0.04 -3.04 -0.24 0.00 -0.00 0.00 0.00 56.01 52.77 2cuh n LEU 96 Cb 0.83 -0.63 -0.20 0.00 -0.00 0.00 0.00 43.42 43.42 2cuh n LEU 96 CO 0.13 0.69 2.01 1.21 -0.00 0.00 0.00 177.39 181.44 2cuh n GLU 97 N -0.04 0.08 -3.64 1.47 2.13 -1.26 -4.72 120.64 114.66 2cuh n GLU 97 Ca 0.27 -0.09 -0.01 0.00 0.66 0.00 0.00 57.16 57.98 2cuh n GLU 97 Cb 1.09 -1.43 -0.01 0.00 0.27 0.00 0.00 31.44 31.36 2cuh n GLU 97 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2cuh s ALA 98 N 3.27 -2.04 1.23 4.31 0.00 -1.26 -5.13 121.76 122.14 2cuh s ALA 98 Ca 1.28 0.72 -0.20 0.00 0.00 0.00 0.00 51.96 53.76 2cuh s ALA 98 Cb -0.82 0.36 0.30 0.00 0.00 0.00 0.00 23.12 22.96 2cuh s ALA 98 CO 0.50 -0.95 1.11 -1.25 0.00 0.00 0.00 175.76 175.16 2cuh s PRO 99 N -2.68 -1.42 0.44 0.00 0.04 -1.26 -4.76 135.00 125.36 2cuh s PRO 99 Ca 0.12 -0.13 -0.21 0.00 0.04 0.00 0.00 61.00 60.82 2cuh s PRO 99 Cb 0.02 -1.58 -0.13 0.00 0.04 0.00 0.00 34.50 32.85 2cuh s PRO 99 CO -0.03 -3.83 0.41 2.89 0.04 0.00 0.00 177.00 176.48 2cuh n ARG 100 N -4.83 0.40 -2.31 4.56 1.85 -1.26 -0.01 116.66 115.06 2cuh n ARG 100 Ca 0.14 0.15 -0.02 0.00 -1.00 0.00 0.00 57.85 57.12 2cuh n ARG 100 Cb 0.60 -1.39 -0.00 0.00 -1.05 0.00 0.00 32.46 30.62 2cuh n ARG 100 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2cuh n ASP 101 N 1.49 -1.36 -4.32 2.89 8.00 -1.26 -0.84 116.55 121.15 2cuh n ASP 101 Ca 0.11 0.40 -0.35 0.00 0.71 0.00 0.00 54.79 55.67 2cuh n ASP 101 Cb 0.41 -1.32 -0.09 0.00 -0.02 0.00 0.00 41.12 40.10 2cuh n ASP 101 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2cuh n LEU 102 N -2.37 -0.87 -4.23 0.64 4.32 0.98 -4.88 117.00 110.60 2cuh n LEU 102 Ca -0.02 -1.22 -0.38 0.00 -0.02 0.00 0.00 56.01 54.37 2cuh n LEU 102 Cb 0.46 -1.53 -0.11 0.00 -1.62 0.00 0.00 43.42 40.62 2cuh n LEU 102 CO 0.03 0.30 -0.17 -1.61 -1.22 0.00 0.00 177.39 174.72 2cuh s GLU 103 N -7.12 2.46 0.00 3.23 2.02 -0.02 -4.90 118.70 114.36 2cuh s GLU 103 Ca 0.34 -1.47 0.00 0.00 0.02 0.00 0.00 54.97 53.86 2cuh s GLU 103 Cb -0.20 -3.61 0.00 0.00 0.10 0.00 0.00 34.13 30.42 2cuh s GLU 103 CO 0.97 -0.89 0.57 0.00 0.02 0.00 0.00 175.26 175.93 2cuh n ALA 104 N 4.79 0.00 -3.60 5.21 0.00 -1.26 -4.77 120.51 120.88 2cuh n ALA 104 Ca -0.09 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 2cuh n ALA 104 Cb 0.43 0.29 -0.03 0.00 0.00 0.00 0.00 19.45 20.13 2cuh n ALA 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2cuh s LYS 105 N -1.93 0.30 -1.52 0.00 0.00 -1.26 -4.95 119.74 110.38 2cuh s LYS 105 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 55.97 55.82 2cuh s LYS 105 Cb 0.00 0.14 0.13 0.00 0.00 0.00 0.00 37.83 38.10 2cuh s LYS 105 CO 0.00 -0.11 0.33 -1.91 0.00 0.00 0.00 175.35 173.66 2cuh n GLU 106 N 0.31 -0.82 -0.31 1.78 2.13 -1.26 -4.77 120.64 117.70 2cuh n GLU 106 Ca -0.02 0.10 -0.00 0.00 0.66 0.00 0.00 57.16 57.90 2cuh n GLU 106 Cb 0.58 -3.71 0.12 0.00 0.27 0.00 0.00 31.44 28.71 2cuh n GLU 106 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 2cuh h VAL 107 N -0.98 1.08 -2.91 6.31 3.04 -1.93 -3.31 116.25 117.55 2cuh h VAL 107 Ca -0.53 -0.34 -0.61 0.00 -1.01 0.00 0.00 66.70 64.20 2cuh h VAL 107 Cb 1.20 -0.01 -0.41 0.00 -2.01 0.00 0.00 31.29 30.06 2cuh h VAL 107 CO 0.72 0.18 -0.70 0.42 -1.01 0.00 0.00 177.57 177.18 2cuh s THR 108 N -6.08 2.05 0.38 3.17 -4.23 -1.26 -5.11 115.64 104.57 2cuh s THR 108 Ca -0.13 -3.61 -0.26 0.00 -1.18 0.00 0.00 61.69 56.51 2cuh s THR 108 Cb 0.18 -2.37 -0.09 0.00 1.34 0.00 0.00 72.50 71.56 2cuh s THR 108 CO 0.79 -1.04 1.20 -2.16 -0.54 0.00 0.00 174.62 172.87 2cuh s PRO 109 N -0.80 4.13 -0.75 3.99 0.04 -1.25 -4.95 135.00 135.41 2cuh s PRO 109 Ca 0.26 1.92 -0.02 0.00 0.04 0.00 0.00 61.00 63.20 2cuh s PRO 109 Cb -0.06 -2.78 0.40 0.00 0.04 0.00 0.00 34.50 32.10 2cuh s PRO 109 CO -0.15 -0.28 2.01 -1.13 0.04 0.00 0.00 177.00 177.50 2cuh n SER 110 N 0.27 7.55 -2.97 6.66 3.41 -1.26 -4.94 113.62 122.33 2cuh n SER 110 Ca 0.03 -3.81 -0.19 0.00 -0.26 0.00 0.00 58.87 54.64 2cuh n SER 110 Cb 0.45 -1.01 0.02 0.00 -0.26 0.00 0.00 64.21 63.41 2cuh n SER 110 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cuh n GLY 111 N -0.72 0.10 3.61 5.00 0.00 -1.26 -4.92 105.19 107.00 2cuh n GLY 111 Ca 0.58 0.56 -0.30 0.00 0.00 0.00 0.00 46.02 46.86 2cuh n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cuh s PRO 112 N -1.54 -0.84 0.26 1.61 0.04 -1.26 -5.09 135.00 128.18 2cuh s PRO 112 Ca 0.19 0.07 -0.07 0.00 0.04 0.00 0.00 61.00 61.22 2cuh s PRO 112 Cb -0.02 -1.63 -0.01 0.00 0.04 0.00 0.00 34.50 32.88 2cuh s PRO 112 CO 0.42 -3.48 0.38 -1.54 0.04 0.00 0.00 177.00 172.82 2cuh s SER 113 N -3.79 0.24 -0.11 6.66 1.04 -1.26 -5.16 113.70 111.31 2cuh s SER 113 Ca 0.70 -1.20 -0.00 0.00 0.48 0.00 0.00 55.95 55.92 2cuh s SER 113 Cb -0.12 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 2cuh s SER 113 CO 0.56 -1.09 -0.09 -0.55 0.98 0.00 0.00 173.24 173.05 2cuh s SER 114 N -3.11 4.37 0.00 7.02 0.15 -1.26 -5.30 113.70 115.57 2cuh s SER 114 Ca 0.29 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2cuh s SER 114 Cb 0.02 -1.46 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 2cuh s SER 114 CO 0.13 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.41