#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cuh s SER 2 N 0.00 4.35 0.23 1.61 1.04 -1.26 -5.00 113.70 114.68 2cuh s SER 2 Ca 0.00 -1.92 -0.08 0.00 0.48 0.00 0.00 55.95 54.43 2cuh s SER 2 Cb 0.00 -1.22 0.38 0.00 0.10 0.00 0.00 66.02 65.28 2cuh s SER 2 CO 0.00 -0.39 1.66 0.77 0.98 0.00 0.00 173.24 176.26 2cuh h SER 3 N 7.81 -0.24 -1.13 7.02 4.64 -2.09 -3.45 113.55 126.11 2cuh h SER 3 Ca -0.09 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2cuh h SER 3 Cb 1.01 0.28 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2cuh h SER 3 CO 0.50 -0.12 0.00 0.61 -0.87 0.00 0.00 176.83 176.95 2cuh n GLY 4 N -1.38 2.94 2.65 -0.77 0.00 -1.26 -5.03 105.19 102.34 2cuh n GLY 4 Ca 0.12 -1.21 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 2cuh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cuh s SER 5 N -0.53 2.73 -1.28 1.61 0.15 -1.26 -4.83 113.70 110.28 2cuh s SER 5 Ca 0.00 -0.80 -0.03 0.00 0.70 0.00 0.00 55.95 55.83 2cuh s SER 5 Cb 0.00 -0.40 0.02 0.00 -1.71 0.00 0.00 66.02 63.93 2cuh s SER 5 CO 0.00 -0.35 0.20 -1.20 1.20 0.00 0.00 173.24 173.09 2cuh n SER 6 N 5.18 -4.46 0.00 5.45 7.64 -1.26 -4.57 113.62 121.61 2cuh n SER 6 Ca -0.07 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2cuh n SER 6 Cb 0.47 -3.72 0.00 0.00 -1.01 0.00 0.00 64.21 59.96 2cuh n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cuh n GLY 7 N -1.02 1.43 1.70 0.23 0.00 -1.26 -5.02 105.19 101.26 2cuh n GLY 7 Ca -0.13 -1.42 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 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 2.32 -2.05 0.01 1.61 -0.04 -1.26 -4.99 135.00 130.60 2cuh n PRO 8 Ca 0.00 -0.85 0.11 0.00 -0.04 0.00 0.00 63.50 62.72 2cuh n PRO 8 Cb 0.00 -0.79 -0.12 0.00 -0.04 0.00 0.00 33.50 32.55 2cuh n PRO 8 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2cuh n ASP 9 N -3.91 0.38 -2.09 3.54 5.75 -1.26 -4.78 116.55 114.18 2cuh n ASP 9 Ca 0.07 -0.22 -0.01 0.00 -0.01 0.00 0.00 54.79 54.62 2cuh n ASP 9 Cb 0.29 1.47 -0.00 0.00 -1.03 0.00 0.00 41.12 41.85 2cuh n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cuh n GLY 10 N 1.32 4.03 3.73 6.12 0.00 -1.26 -4.79 105.19 114.33 2cuh n GLY 10 Ca -0.01 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 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 -2.07 4.37 0.25 1.61 0.04 -1.26 -4.57 135.00 133.37 2cuh s PRO 11 Ca 0.00 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2cuh s PRO 11 Cb -0.00 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 2cuh s PRO 11 CO 0.00 -0.32 0.21 0.95 0.04 0.00 0.00 177.00 177.88 2cuh s THR 12 N 0.54 0.00 -1.44 1.26 -4.23 -1.25 -4.19 115.64 106.33 2cuh s THR 12 Ca 0.60 -1.96 -0.11 0.00 -1.18 0.00 0.00 61.69 59.04 2cuh s THR 12 Cb -0.36 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.03 2cuh s THR 12 CO 0.35 0.00 1.06 0.00 -0.54 0.00 0.00 174.62 175.48 2cuh n GLN 13 N -0.41 -6.57 -1.68 3.99 6.02 -1.26 -2.73 117.38 114.74 2cuh n GLN 13 Ca 0.04 0.70 -0.44 0.00 -0.01 0.00 0.00 57.00 57.29 2cuh n GLN 13 Cb 0.64 -5.65 -0.03 0.00 1.02 0.00 0.00 30.24 26.22 2cuh n GLN 13 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2cuh n LEU 14 N -4.79 3.82 -4.55 1.08 7.94 -1.26 -4.66 117.00 114.58 2cuh n LEU 14 Ca 0.00 1.00 -0.30 0.00 -1.11 0.00 0.00 56.01 55.60 2cuh n LEU 14 Cb 0.55 -1.50 -0.10 0.00 0.53 0.00 0.00 43.42 42.90 2cuh n LEU 14 CO 0.70 0.08 -0.44 -0.60 -1.11 0.00 0.00 177.39 176.02 2cuh s ARG 15 N 2.70 2.02 -0.57 1.96 6.06 -0.96 -4.94 118.95 125.22 2cuh s ARG 15 Ca 0.83 -1.08 -0.25 0.00 -2.50 0.00 0.00 55.73 52.74 2cuh s ARG 15 Cb -0.54 -2.24 0.04 0.00 0.06 0.00 0.00 34.95 32.27 2cuh s ARG 15 CO 0.40 0.50 1.00 0.00 -2.50 0.00 0.00 175.30 174.70 2cuh s ALA 16 N -1.20 3.11 0.91 6.12 0.00 -1.26 -3.89 121.76 125.55 2cuh s ALA 16 Ca 0.20 -1.20 -0.12 0.00 0.00 0.00 0.00 51.96 50.85 2cuh s ALA 16 Cb -0.11 -3.82 0.14 0.00 0.00 0.00 0.00 23.12 19.33 2cuh s ALA 16 CO 0.13 -2.49 1.10 -1.17 0.00 0.00 0.00 175.76 173.32 2cuh s LEU 17 N 4.22 2.10 -0.38 0.00 0.20 -1.26 -4.93 118.68 118.63 2cuh s LEU 17 Ca 0.33 1.30 -0.28 0.00 0.69 0.00 0.00 54.13 56.16 2cuh s LEU 17 Cb -0.12 -3.67 -0.01 0.00 -0.43 0.00 0.00 46.19 41.96 2cuh s LEU 17 CO 0.20 -2.64 1.64 0.21 -0.29 0.00 0.00 176.35 175.47 2cuh s ASN 18 N -3.60 6.05 -0.06 3.68 2.47 -1.26 -4.94 114.94 117.28 2cuh s ASN 18 Ca 0.63 1.07 -0.29 0.00 0.42 0.00 0.00 52.86 54.69 2cuh s ASN 18 Cb -0.17 -2.53 -0.07 0.00 -1.45 0.00 0.00 41.25 37.03 2cuh s ASN 18 CO 0.56 -1.63 1.88 -0.76 -3.72 0.00 0.00 177.10 173.44 2cuh s LEU 19 N 6.38 4.19 1.08 3.21 1.02 -1.26 -4.92 118.68 128.38 2cuh s LEU 19 Ca 0.72 2.31 -0.12 0.00 0.02 0.00 0.00 54.13 57.06 2cuh s LEU 19 Cb -0.18 -3.53 0.24 0.00 0.02 0.00 0.00 46.19 42.73 2cuh s LEU 19 CO 0.33 -1.18 1.07 -0.89 0.02 0.00 0.00 176.35 175.69 2cuh s THR 20 N 5.03 2.03 0.55 5.49 2.01 -0.43 -4.74 115.64 125.58 2cuh s THR 20 Ca 0.84 0.01 0.31 0.00 0.31 0.00 0.00 61.69 63.16 2cuh s THR 20 Cb -0.37 -2.04 0.46 0.00 0.01 0.00 0.00 72.50 70.56 2cuh s THR 20 CO 0.36 -0.01 1.27 -1.84 -0.69 0.00 0.00 174.62 173.71 2cuh n GLU 21 N -4.70 0.01 -1.19 4.92 0.28 -1.26 -2.59 120.64 116.11 2cuh n GLU 21 Ca 0.06 0.97 -0.03 0.00 -0.16 0.00 0.00 57.16 58.00 2cuh n GLU 21 Cb 0.53 -2.35 -0.00 0.00 1.43 0.00 0.00 31.44 31.05 2cuh n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2cuh n GLY 22 N -1.71 0.22 2.61 -1.84 0.00 -1.26 -4.98 105.19 98.22 2cuh n GLY 22 Ca 0.27 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 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 0.02 0.28 -0.19 1.61 5.36 -1.07 -4.96 117.98 119.04 2cuh s PHE 23 Ca 0.01 -0.45 -0.10 0.00 -0.96 0.00 0.00 56.93 55.44 2cuh s PHE 23 Cb 0.07 -0.75 -0.05 0.00 -0.34 0.00 0.00 43.02 41.95 2cuh s PHE 23 CO -0.02 -0.57 0.14 0.00 -1.46 0.00 0.00 175.22 173.31 2cuh s ALA 24 N 2.11 3.71 0.11 11.12 0.00 -1.24 -1.31 121.76 136.26 2cuh s ALA 24 Ca 0.03 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2cuh s ALA 24 Cb -0.16 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 2cuh s ALA 24 CO -0.13 0.22 -0.08 0.14 0.00 0.00 0.00 175.76 175.91 2cuh s VAL 25 N 0.17 0.84 0.27 0.00 -7.23 -1.26 -0.26 120.40 112.94 2cuh s VAL 25 Ca 0.10 -1.89 0.05 0.00 -1.81 0.00 0.00 61.98 58.42 2cuh s VAL 25 Cb -0.11 -1.64 -0.03 0.00 0.56 0.00 0.00 36.38 35.16 2cuh s VAL 25 CO -0.01 -0.78 0.41 -0.76 -0.31 0.00 0.00 175.10 173.65 2cuh s LEU 26 N -2.94 4.21 -0.07 1.32 1.43 -1.15 -4.47 118.68 117.01 2cuh s LEU 26 Ca 0.11 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 2cuh s LEU 26 Cb 0.03 -2.91 0.04 0.00 0.03 0.00 0.00 46.19 43.38 2cuh s LEU 26 CO -0.03 -0.17 0.10 -2.28 0.23 0.00 0.00 176.35 174.20 2cuh s HIS 27 N -2.07 -0.00 0.12 0.29 2.46 -1.25 -3.82 115.29 111.01 2cuh s HIS 27 Ca 0.37 0.30 0.06 0.00 0.47 0.00 0.00 55.06 56.26 2cuh s HIS 27 Cb -0.09 -0.44 -0.04 0.00 -0.13 0.00 0.00 32.58 31.89 2cuh s HIS 27 CO 0.30 -0.25 -0.14 1.67 -2.47 0.00 0.00 174.74 173.85 2cuh s TRP 28 N 2.21 1.40 -0.30 3.88 -2.14 -1.25 -2.25 118.94 120.48 2cuh s TRP 28 Ca 0.04 -0.54 -0.22 0.00 2.66 0.00 0.00 56.10 58.04 2cuh s TRP 28 Cb -0.12 -0.74 -0.00 0.00 -3.10 0.00 0.00 33.47 29.50 2cuh s TRP 28 CO -0.05 0.14 0.74 0.21 -2.66 0.00 0.00 176.95 175.33 2cuh s LYS 29 N -2.55 3.96 -0.09 3.25 2.20 -1.11 -4.91 119.74 120.49 2cuh s LYS 29 Ca 0.08 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.90 2cuh s LYS 29 Cb -0.06 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 2cuh s LYS 29 CO 0.03 -0.63 1.53 -1.25 -0.36 0.00 0.00 175.35 174.66 2cuh s PRO 30 N 2.83 4.19 0.77 4.03 0.04 -1.26 -3.86 135.00 141.74 2cuh s PRO 30 Ca 0.30 2.01 -0.10 0.00 0.04 0.00 0.00 61.00 63.24 2cuh s PRO 30 Cb -0.14 -3.91 0.06 0.00 0.04 0.00 0.00 34.50 30.54 2cuh s PRO 30 CO 0.12 -0.81 1.09 -1.25 0.04 0.00 0.00 177.00 176.19 2cuh s PRO 31 N 3.87 2.25 0.34 0.56 0.04 -1.26 -4.90 135.00 135.90 2cuh s PRO 31 Ca 0.67 1.17 0.15 0.00 0.04 0.00 0.00 61.00 63.03 2cuh s PRO 31 Cb -0.29 -1.90 1.09 0.00 0.04 0.00 0.00 34.50 33.44 2cuh s PRO 31 CO 0.25 -1.65 1.67 0.37 0.04 0.00 0.00 177.00 177.67 2cuh h GLN 32 N -1.13 0.32 -4.78 4.56 4.15 -1.95 -3.32 115.11 112.97 2cuh h GLN 32 Ca -0.44 -0.02 -0.70 0.00 0.77 0.00 0.00 58.65 58.27 2cuh h GLN 32 Cb 1.23 -0.07 -0.19 0.00 0.21 0.00 0.00 27.48 28.66 2cuh h GLN 32 CO 0.51 0.21 -0.24 0.54 -1.93 0.00 0.00 178.83 177.93 2cuh s ASN 33 N -4.91 6.18 -0.30 -0.69 4.22 -1.26 -5.03 114.94 113.15 2cuh s ASN 33 Ca -0.10 -0.76 -0.29 0.00 -2.14 0.00 0.00 52.86 49.57 2cuh s ASN 33 Cb 0.30 -2.21 -0.02 0.00 1.28 0.00 0.00 41.25 40.60 2cuh s ASN 33 CO 0.79 -0.58 1.67 -2.16 -2.04 0.00 0.00 177.10 174.77 2cuh s PRO 34 N 2.06 3.55 1.03 3.55 0.04 -1.25 -4.94 135.00 139.04 2cuh s PRO 34 Ca 0.11 1.44 -0.17 0.00 0.04 0.00 0.00 61.00 62.41 2cuh s PRO 34 Cb -0.18 -4.11 0.27 0.00 0.04 0.00 0.00 34.50 30.52 2cuh s PRO 34 CO 0.13 -1.59 0.64 1.33 0.04 0.00 0.00 177.00 177.55 2cuh n VAL 35 N 6.99 0.00 -0.11 -0.36 0.24 -1.26 -5.01 118.33 118.81 2cuh n VAL 35 Ca 0.20 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.34 62.23 2cuh n VAL 35 Cb 0.46 -0.77 -0.08 0.00 -1.47 0.00 0.00 33.84 31.97 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 -4.93 1.91 -3.82 -1.34 8.00 -1.15 -4.12 116.55 111.10 2cuh n ASP 36 Ca 0.10 0.39 -0.13 0.00 0.71 0.00 0.00 54.79 55.86 2cuh n ASP 36 Cb 0.43 -0.85 -0.14 0.00 -0.02 0.00 0.00 41.12 40.54 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 -2.51 -0.02 -0.16 -3.53 -4.23 -1.25 0.98 115.64 104.92 2cuh s THR 37 Ca -0.32 0.07 -0.14 0.00 -1.18 0.00 0.00 61.69 60.11 2cuh s THR 37 Cb 0.09 -0.13 -0.05 0.00 1.34 0.00 0.00 72.50 73.76 2cuh s THR 37 CO 0.48 0.03 0.31 -0.31 -0.54 0.00 0.00 174.62 174.59 2cuh s TYR 38 N 0.40 3.45 -0.34 3.99 2.02 0.96 -1.13 117.35 126.71 2cuh s TYR 38 Ca -0.03 0.61 -0.15 0.00 -0.37 0.00 0.00 57.07 57.12 2cuh s TYR 38 Cb -0.04 -2.37 -0.01 0.00 -0.40 0.00 0.00 41.96 39.14 2cuh s TYR 38 CO -0.01 0.21 0.37 0.34 -1.57 0.00 0.00 175.55 174.88 2cuh s ASP 39 N 0.54 6.18 -0.08 2.29 2.15 -0.22 -2.62 116.67 124.91 2cuh s ASP 39 Ca 0.17 -0.23 0.02 0.00 0.43 0.00 0.00 52.55 52.94 2cuh s ASP 39 Cb -0.13 -2.20 -0.02 0.00 -0.30 0.00 0.00 42.92 40.27 2cuh s ASP 39 CO 0.04 -0.34 -0.13 -0.63 -0.17 0.00 0.00 175.17 173.94 2cuh s ILE 40 N 2.03 3.14 -0.16 4.11 1.09 -1.16 0.12 121.20 130.38 2cuh s ILE 40 Ca 0.12 -0.67 -0.01 0.00 -1.10 0.00 0.00 60.65 58.99 2cuh s ILE 40 Cb -0.17 -2.27 0.04 0.00 -1.06 0.00 0.00 42.46 39.01 2cuh s ILE 40 CO 0.12 0.57 -0.04 -1.58 -0.10 0.00 0.00 174.94 173.90 2cuh s GLN 41 N -0.34 1.28 -0.19 2.79 0.74 0.15 -3.32 119.66 120.77 2cuh s GLN 41 Ca 0.03 -0.46 -0.06 0.00 0.05 0.00 0.00 55.36 54.92 2cuh s GLN 41 Cb -0.13 -1.93 -0.03 0.00 1.10 0.00 0.00 33.01 32.02 2cuh s GLN 41 CO 0.02 -0.44 0.04 0.08 -0.55 0.00 0.00 175.29 174.44 2cuh s VAL 42 N 1.68 4.44 0.12 1.34 1.01 -1.07 -1.02 120.40 126.90 2cuh s VAL 42 Ca 0.01 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 2cuh s VAL 42 Cb -0.15 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2cuh s VAL 42 CO -0.07 0.43 0.09 0.42 0.00 0.00 0.00 175.10 175.96 2cuh s THR 43 N 0.72 0.12 0.19 3.92 -4.23 -0.58 -1.87 115.64 113.90 2cuh s THR 43 Ca 0.02 -1.75 -0.23 0.00 -1.18 0.00 0.00 61.69 58.55 2cuh s THR 43 Cb -0.14 -1.85 0.05 0.00 1.34 0.00 0.00 72.50 71.91 2cuh s THR 43 CO 0.02 -0.56 0.73 0.00 -0.54 0.00 0.00 174.62 174.27 2cuh s ALA 44 N -3.99 -1.48 -1.01 3.99 0.00 -1.26 -0.86 121.76 117.14 2cuh s ALA 44 Ca 0.18 0.17 -0.24 0.00 0.00 0.00 0.00 51.96 52.07 2cuh s ALA 44 Cb 0.07 0.79 -0.06 0.00 0.00 0.00 0.00 23.12 23.91 2cuh s ALA 44 CO -0.02 -0.91 1.94 -1.25 0.00 0.00 0.00 175.76 175.52 2cuh s PRO 45 N -3.69 2.53 0.00 0.00 0.04 -1.26 -3.20 135.00 129.42 2cuh s PRO 45 Ca 0.07 -0.64 0.00 0.00 0.04 0.00 0.00 61.00 60.47 2cuh s PRO 45 Cb -0.03 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.37 2cuh s PRO 45 CO -0.02 -3.62 0.00 0.41 0.04 0.00 0.00 177.00 173.81 2cuh n GLY 46 N 6.44 3.00 3.75 0.56 0.00 -1.26 -5.07 105.19 112.61 2cuh n GLY 46 Ca 0.42 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.27 2.55 0.55 4.61 0.00 -1.19 -4.99 121.76 123.02 2cuh s ALA 47 Ca 0.00 1.02 -0.19 0.00 0.00 0.00 0.00 51.96 52.79 2cuh s ALA 47 Cb 0.00 -3.46 -0.06 0.00 0.00 0.00 0.00 23.12 19.61 2cuh s ALA 47 CO 0.00 -1.18 1.13 -1.25 0.00 0.00 0.00 175.76 174.46 2cuh s PRO 48 N -3.32 3.33 0.23 0.00 0.04 -1.26 -4.33 135.00 129.69 2cuh s PRO 48 Ca 0.77 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 2cuh s PRO 48 Cb -0.31 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 2cuh s PRO 48 CO 0.33 -0.87 1.28 -1.25 0.04 0.00 0.00 177.00 176.54 2cuh s PRO 49 N -3.33 4.41 -0.11 0.56 0.04 -1.26 -4.78 135.00 130.53 2cuh s PRO 49 Ca 0.72 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.83 2cuh s PRO 49 Cb -0.24 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 2cuh s PRO 49 CO 0.28 -0.19 -0.20 -1.17 0.04 0.00 0.00 177.00 175.76 2cuh s LEU 50 N -0.54 2.33 -0.15 -3.56 2.96 -0.78 -5.04 118.68 113.90 2cuh s LEU 50 Ca 0.54 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 2cuh s LEU 50 Cb -0.36 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 44.86 2cuh s LEU 50 CO 0.41 0.16 -0.16 -1.58 -1.32 0.00 0.00 176.35 173.86 2cuh s GLN 51 N 0.36 2.48 0.17 1.98 2.00 -1.26 -2.60 119.66 122.78 2cuh s GLN 51 Ca -0.15 -0.63 -0.05 0.00 -2.00 0.00 0.00 55.36 52.52 2cuh s GLN 51 Cb -0.17 -2.19 -0.02 0.00 0.80 0.00 0.00 33.01 31.42 2cuh s GLN 51 CO 0.07 -0.19 0.19 0.00 -0.50 0.00 0.00 175.29 174.87 2cuh s ALA 52 N 1.32 0.49 0.20 1.58 0.00 -1.21 -5.10 121.76 119.04 2cuh s ALA 52 Ca 0.02 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.74 2cuh s ALA 52 Cb -0.13 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 2cuh s ALA 52 CO -0.09 -0.60 0.13 -2.00 0.00 0.00 0.00 175.76 173.20 2cuh s GLU 53 N -4.03 1.19 -0.08 0.00 2.12 -1.26 -2.97 118.70 113.66 2cuh s GLU 53 Ca 0.24 -1.62 -0.27 0.00 0.36 0.00 0.00 54.97 53.68 2cuh s GLU 53 Cb 0.05 0.26 0.06 0.00 0.26 0.00 0.00 34.13 34.76 2cuh s GLU 53 CO 0.03 -0.38 0.61 -0.08 -0.54 0.00 0.00 175.26 174.90 2cuh s THR 54 N -4.15 0.01 0.57 -1.70 -1.32 -1.08 -4.97 115.64 103.00 2cuh s THR 54 Ca 0.38 -0.08 -0.18 0.00 -1.21 0.00 0.00 61.69 60.60 2cuh s THR 54 Cb 0.07 -0.91 -0.05 0.00 -1.51 0.00 0.00 72.50 70.10 2cuh s THR 54 CO 0.11 -0.04 1.12 -2.16 -2.21 0.00 0.00 174.62 171.45 2cuh s PRO 55 N -0.91 3.23 0.52 7.08 0.04 -1.26 -0.03 135.00 143.67 2cuh s PRO 55 Ca -0.09 1.56 0.34 0.00 0.04 0.00 0.00 61.00 62.85 2cuh s PRO 55 Cb -0.02 -1.99 1.84 0.00 0.04 0.00 0.00 34.50 34.37 2cuh s PRO 55 CO 0.07 -0.93 2.03 0.78 0.04 0.00 0.00 177.00 178.99 2cuh h GLY 56 N 0.94 0.00 0.48 0.56 0.00 0.46 -0.40 103.07 105.10 2cuh h GLY 56 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2cuh h GLY 56 CO 0.56 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.84 2cuh n SER 57 N -2.71 0.00 -4.52 0.19 2.88 -1.26 -4.73 113.62 103.47 2cuh n SER 57 Ca -0.02 -1.15 -0.30 0.00 -1.33 0.00 0.00 58.87 56.06 2cuh n SER 57 Cb 0.08 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.43 2cuh n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cuh s ALA 58 N -2.00 2.78 -0.10 -1.46 0.00 -0.16 -5.02 121.76 115.80 2cuh s ALA 58 Ca 0.17 -1.23 0.15 0.00 0.00 0.00 0.00 51.96 51.05 2cuh s ALA 58 Cb 0.08 -0.81 0.22 0.00 0.00 0.00 0.00 23.12 22.61 2cuh s ALA 58 CO 0.13 0.60 1.11 1.33 0.00 0.00 0.00 175.76 178.94 2cuh n VAL 59 N 1.10 1.51 -3.63 0.00 0.24 -1.26 -4.96 118.33 111.32 2cuh n VAL 59 Ca -0.15 -1.81 -0.09 0.00 -2.04 0.00 0.00 64.34 60.26 2cuh n VAL 59 Cb 0.52 -0.07 -0.07 0.00 -1.47 0.00 0.00 33.84 32.76 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 -2.44 -0.39 -0.35 -1.34 -4.77 -1.26 -3.96 116.67 102.15 2cuh s ASP 60 Ca 0.25 0.71 0.02 0.00 -3.30 0.00 0.00 52.55 50.23 2cuh s ASP 60 Cb 0.22 0.71 0.10 0.00 -1.09 0.00 0.00 42.92 42.86 2cuh s ASP 60 CO 0.02 -0.16 0.10 -0.47 0.70 0.00 0.00 175.17 175.36 2cuh s TYR 61 N 0.01 2.84 -0.29 2.11 5.04 -1.25 -4.95 117.35 120.86 2cuh s TYR 61 Ca 0.03 -2.51 -0.29 0.00 -2.44 0.00 0.00 57.07 51.86 2cuh s TYR 61 Cb -0.04 -2.40 -0.02 0.00 0.35 0.00 0.00 41.96 39.85 2cuh s TYR 61 CO -0.06 -0.90 1.67 -1.25 -1.34 0.00 0.00 175.55 173.67 2cuh s PRO 62 N 1.03 3.57 -0.16 4.97 0.04 -1.26 -2.95 135.00 140.23 2cuh s PRO 62 Ca 0.12 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.50 2cuh s PRO 62 Cb -0.19 -4.10 -0.05 0.00 0.04 0.00 0.00 34.50 30.20 2cuh s PRO 62 CO -0.13 -1.57 0.24 -0.51 0.04 0.00 0.00 177.00 175.06 2cuh s LEU 63 N 5.96 4.26 0.51 -3.56 1.43 0.65 -4.95 118.68 122.97 2cuh s LEU 63 Ca 0.74 0.44 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 2cuh s LEU 63 Cb -0.22 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 2cuh s LEU 63 CO 0.32 0.16 0.04 -1.38 0.23 0.00 0.00 176.35 175.72 2cuh s HIS 64 N 0.23 1.84 -1.11 0.29 -3.43 -1.26 -3.61 115.29 108.24 2cuh s HIS 64 Ca 0.14 -0.94 -0.01 0.00 -0.80 0.00 0.00 55.06 53.45 2cuh s HIS 64 Cb -0.12 -1.64 -0.01 0.00 -1.43 0.00 0.00 32.58 29.37 2cuh s HIS 64 CO 0.02 0.16 0.93 -0.25 -2.00 0.00 0.00 174.74 173.60 2cuh n ASP 65 N -1.32 -2.64 -4.32 7.38 9.92 -1.26 -5.01 116.55 119.30 2cuh n ASP 65 Ca -0.17 -0.60 -0.33 0.00 -0.53 0.00 0.00 54.79 53.16 2cuh n ASP 65 Cb 0.67 -4.88 -0.15 0.00 -0.64 0.00 0.00 41.12 36.12 2cuh n ASP 65 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2cuh s LEU 66 N -5.99 2.61 0.25 0.64 1.43 -1.26 -5.09 118.68 111.26 2cuh s LEU 66 Ca 0.06 -0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 52.45 2cuh s LEU 66 Cb -0.01 -1.59 -0.12 0.00 0.03 0.00 0.00 46.19 44.50 2cuh s LEU 66 CO 0.69 0.12 1.68 0.52 0.23 0.00 0.00 176.35 179.59 2cuh n VAL 67 N 3.85 0.43 -1.96 -1.59 0.31 -1.26 -4.92 118.33 113.19 2cuh n VAL 67 Ca -0.19 -0.11 -0.32 0.00 -0.01 0.00 0.00 64.34 63.72 2cuh n VAL 67 Cb 0.52 -2.00 0.01 0.00 -0.91 0.00 0.00 33.84 31.46 2cuh n VAL 67 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2cuh s LEU 68 N 0.47 3.35 -1.28 7.52 2.01 -1.26 -4.02 118.68 125.46 2cuh s LEU 68 Ca 0.70 1.58 -0.03 0.00 0.01 0.00 0.00 54.13 56.39 2cuh s LEU 68 Cb -0.49 -4.50 0.01 0.00 0.01 0.00 0.00 46.19 41.22 2cuh s LEU 68 CO 0.39 -1.00 1.00 1.41 1.01 0.00 0.00 176.35 179.16 2cuh n HIS 69 N -2.42 -2.33 -3.74 0.29 8.25 -1.21 -4.96 115.22 109.09 2cuh n HIS 69 Ca 0.07 0.94 -0.13 0.00 -0.26 0.00 0.00 57.72 58.34 2cuh n HIS 69 Cb 0.54 -4.88 -0.11 0.00 1.12 0.00 0.00 29.99 26.66 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 -3.40 -0.00 -0.44 1.59 2.01 -1.26 -5.06 115.64 109.08 2cuh s THR 70 Ca 0.20 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 2cuh s THR 70 Cb -0.09 -0.52 0.02 0.00 0.01 0.00 0.00 72.50 71.92 2cuh s THR 70 CO 0.75 0.01 1.26 0.21 -0.69 0.00 0.00 174.62 176.15 2cuh s ASN 71 N 0.38 6.51 -0.16 3.53 2.47 -1.26 -4.05 114.94 122.36 2cuh s ASN 71 Ca -0.01 0.64 -0.04 0.00 0.42 0.00 0.00 52.86 53.87 2cuh s ASN 71 Cb -0.04 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.19 2cuh s ASN 71 CO -0.01 -1.32 -0.04 -0.31 -3.72 0.00 0.00 177.10 171.70 2cuh s TYR 72 N 4.85 3.01 -0.26 0.43 2.02 -1.24 -4.34 117.35 121.82 2cuh s TYR 72 Ca 0.54 -0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 56.78 2cuh s TYR 72 Cb -0.10 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.45 2cuh s TYR 72 CO 0.32 -0.10 0.10 0.99 -1.57 0.00 0.00 175.55 175.29 2cuh s THR 73 N 0.50 4.56 -0.05 -0.71 2.01 -0.04 -3.88 115.64 118.02 2cuh s THR 73 Ca -0.03 -0.12 0.01 0.00 0.31 0.00 0.00 61.69 61.86 2cuh s THR 73 Cb -0.14 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 2cuh s THR 73 CO 0.03 0.30 -0.05 0.00 -0.69 0.00 0.00 174.62 174.21 2cuh s ALA 74 N 1.65 3.09 -0.09 7.40 0.00 -1.22 -1.53 121.76 131.06 2cuh s ALA 74 Ca 0.06 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 2cuh s ALA 74 Cb -0.15 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.71 2cuh s ALA 74 CO 0.05 0.59 -0.02 0.99 0.00 0.00 0.00 175.76 177.37 2cuh s THR 75 N -0.89 0.60 0.11 0.00 2.01 -0.19 -2.29 115.64 115.00 2cuh s THR 75 Ca 0.14 -0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.17 2cuh s THR 75 Cb -0.11 -0.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 2cuh s THR 75 CO 0.04 0.30 0.08 -0.69 -0.69 0.00 0.00 174.62 173.65 2cuh s VAL 76 N 1.88 4.40 0.23 3.82 1.01 0.58 0.29 120.40 132.61 2cuh s VAL 76 Ca 0.05 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 2cuh s VAL 76 Cb -0.12 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2cuh s VAL 76 CO -0.06 0.04 0.21 -0.13 0.00 0.00 0.00 175.10 175.16 2cuh s ARG 77 N -2.62 1.34 -0.11 2.72 0.52 0.34 -0.55 118.95 120.59 2cuh s ARG 77 Ca 0.29 -1.62 0.02 0.00 -0.52 0.00 0.00 55.73 53.91 2cuh s ARG 77 Cb -0.11 0.31 0.01 0.00 0.52 0.00 0.00 34.95 35.68 2cuh s ARG 77 CO 0.22 -0.47 -0.17 0.20 0.02 0.00 0.00 175.30 175.09 2cuh s GLY 78 N -3.16 1.12 -0.53 -3.53 0.00 -1.26 -1.06 107.32 98.89 2cuh s GLY 78 Ca 0.36 -0.80 -0.18 0.00 0.00 0.00 0.00 44.72 44.10 2cuh s GLY 78 CO 0.13 0.10 0.58 1.08 0.00 0.00 0.00 173.10 174.99 2cuh s LEU 79 N 0.85 5.49 -0.44 0.66 2.01 -0.28 -1.48 118.68 125.49 2cuh s LEU 79 Ca -0.09 -1.34 0.03 0.00 0.01 0.00 0.00 54.13 52.74 2cuh s LEU 79 Cb -0.15 -2.30 0.12 0.00 0.01 0.00 0.00 46.19 43.87 2cuh s LEU 79 CO 0.00 -0.90 0.18 -0.13 1.01 0.00 0.00 176.35 176.50 2cuh s ARG 80 N 2.23 1.65 3.29 1.70 0.52 -1.16 -2.93 118.95 124.24 2cuh s ARG 80 Ca 0.09 -2.20 0.00 0.00 -0.52 0.00 0.00 55.73 53.10 2cuh s ARG 80 Cb -0.24 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.15 2cuh s ARG 80 CO 0.07 -1.05 0.00 0.41 0.02 0.00 0.00 175.30 174.75 2cuh n GLY 81 N 3.66 0.36 0.00 -3.53 0.00 -1.26 -2.84 105.19 101.58 2cuh n GLY 81 Ca 0.05 -0.86 0.05 0.00 0.00 0.00 0.00 46.02 45.26 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 0.48 -4.71 1.61 -0.04 -1.26 -4.74 135.00 126.34 2cuh n PRO 82 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2cuh n PRO 82 Cb 0.00 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 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 -1.84 4.04 0.29 3.54 0.01 -1.13 -5.17 114.94 114.68 2cuh s ASN 83 Ca 0.15 -1.56 0.05 0.00 -0.71 0.00 0.00 52.86 50.79 2cuh s ASN 83 Cb 0.07 0.20 -0.06 0.00 0.41 0.00 0.00 41.25 41.87 2cuh s ASN 83 CO 0.12 -0.71 -0.00 -0.76 -1.51 0.00 0.00 177.10 174.23 2cuh s LEU 84 N -3.82 2.31 0.55 0.60 1.43 -1.26 -2.99 118.68 115.49 2cuh s LEU 84 Ca 0.16 -1.27 0.07 0.00 -1.03 0.00 0.00 54.13 52.06 2cuh s LEU 84 Cb 0.05 -0.46 0.05 0.00 0.03 0.00 0.00 46.19 45.86 2cuh s LEU 84 CO 0.08 -0.48 0.55 0.42 0.23 0.00 0.00 176.35 177.15 2cuh s THR 85 N -3.21 1.90 0.08 5.49 -4.23 -0.55 -4.90 115.64 110.22 2cuh s THR 85 Ca 0.32 -1.30 -0.31 0.00 -1.18 0.00 0.00 61.69 59.22 2cuh s THR 85 Cb 0.06 -2.20 -0.07 0.00 1.34 0.00 0.00 72.50 71.63 2cuh s THR 85 CO 0.12 0.00 1.32 -0.44 -0.54 0.00 0.00 174.62 175.08 2cuh s SER 86 N -4.41 6.92 0.52 3.99 0.01 -1.26 -4.56 113.70 114.91 2cuh s SER 86 Ca 0.45 2.18 -0.20 0.00 1.31 0.00 0.00 55.95 59.69 2cuh s SER 86 Cb -0.04 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.55 2cuh s SER 86 CO 0.28 -0.59 1.13 -2.16 0.41 0.00 0.00 173.24 172.31 2cuh s PRO 87 N 1.25 3.45 -0.11 12.44 0.04 -1.26 -4.28 135.00 146.53 2cuh s PRO 87 Ca 0.62 1.64 -0.03 0.00 0.04 0.00 0.00 61.00 63.27 2cuh s PRO 87 Cb -0.33 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.16 2cuh s PRO 87 CO 0.29 -0.78 0.05 0.00 0.04 0.00 0.00 177.00 176.61 2cuh s ALA 88 N -1.73 0.51 0.38 8.56 0.00 0.29 -4.97 121.76 124.79 2cuh s ALA 88 Ca 0.71 -0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.58 2cuh s ALA 88 Cb -0.25 -0.85 -0.07 0.00 0.00 0.00 0.00 23.12 21.95 2cuh s ALA 88 CO 0.28 -0.78 -0.00 0.45 0.00 0.00 0.00 175.76 175.70 2cuh s SER 89 N 2.07 3.55 0.08 0.00 0.15 -1.26 -0.30 113.70 117.98 2cuh s SER 89 Ca 0.03 -1.33 -0.23 0.00 0.70 0.00 0.00 55.95 55.12 2cuh s SER 89 Cb -0.14 -0.33 0.06 0.00 -1.71 0.00 0.00 66.02 63.90 2cuh s SER 89 CO -0.06 -0.43 0.55 -0.51 1.20 0.00 0.00 173.24 173.99 2cuh s ILE 90 N -2.81 0.02 -0.29 6.45 2.07 -0.97 -4.82 121.20 120.85 2cuh s ILE 90 Ca 0.34 -0.19 -0.06 0.00 -1.41 0.00 0.00 60.65 59.34 2cuh s ILE 90 Cb 0.08 -1.01 0.01 0.00 0.13 0.00 0.00 42.46 41.68 2cuh s ILE 90 CO 0.17 -0.10 0.06 -0.89 -1.91 0.00 0.00 174.94 172.27 2cuh s THR 91 N -2.87 3.82 0.11 4.00 2.01 -1.26 -3.39 115.64 118.05 2cuh s THR 91 Ca -0.03 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.26 2cuh s THR 91 Cb -0.00 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 2cuh s THR 91 CO -0.05 0.08 -0.13 0.72 -0.69 0.00 0.00 174.62 174.55 2cuh s PHE 92 N 1.47 1.27 -0.18 4.92 -0.12 -1.25 -5.02 117.98 119.07 2cuh s PHE 92 Ca 0.02 -0.57 -0.05 0.00 -0.05 0.00 0.00 56.93 56.28 2cuh s PHE 92 Cb -0.17 -0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 41.51 2cuh s PHE 92 CO 0.02 0.09 0.01 0.99 -0.05 0.00 0.00 175.22 176.27 2cuh s THR 93 N -2.07 4.17 0.71 -4.49 2.01 -1.26 -3.70 115.64 111.01 2cuh s THR 93 Ca 0.06 -0.25 -0.08 0.00 0.31 0.00 0.00 61.69 61.73 2cuh s THR 93 Cb -0.05 -2.87 0.05 0.00 0.01 0.00 0.00 72.50 69.64 2cuh s THR 93 CO 0.02 0.45 1.04 0.42 -0.69 0.00 0.00 174.62 175.86 2cuh s THR 94 N 0.66 2.55 -1.57 -0.82 -4.23 -1.26 -4.25 115.64 106.72 2cuh s THR 94 Ca 0.00 -0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 60.35 2cuh s THR 94 Cb -0.14 -3.11 0.05 0.00 1.34 0.00 0.00 72.50 70.64 2cuh s THR 94 CO 0.02 -0.13 0.29 0.61 -0.54 0.00 0.00 174.62 174.87 2cuh n GLY 95 N -2.96 -0.22 0.02 3.99 0.00 -1.26 -3.34 105.19 101.42 2cuh n GLY 95 Ca 0.07 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.44 0.07 -4.56 0.99 -0.00 -1.26 -4.54 117.00 103.26 2cuh n LEU 96 Ca -0.22 -0.03 -0.28 0.00 -0.00 0.00 0.00 56.01 55.48 2cuh n LEU 96 Cb 0.64 -0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 44.01 2cuh n LEU 96 CO 0.84 0.01 1.39 -0.70 -0.00 0.00 0.00 177.39 178.93 2cuh s GLU 97 N -2.00 2.52 0.02 1.47 2.56 -1.26 -4.92 118.70 117.09 2cuh s GLU 97 Ca 0.43 -0.07 0.02 0.00 0.00 0.00 0.00 54.97 55.36 2cuh s GLU 97 Cb 0.20 -4.92 -0.01 0.00 2.00 0.00 0.00 34.13 31.40 2cuh s GLU 97 CO 0.33 -3.31 -0.08 0.00 -0.56 0.00 0.00 175.26 171.65 2cuh s ALA 98 N 10.14 0.62 -1.68 6.30 0.00 -1.26 -5.02 121.76 130.86 2cuh s ALA 98 Ca 0.71 -0.50 0.15 0.00 0.00 0.00 0.00 51.96 52.32 2cuh s ALA 98 Cb -0.08 -0.08 0.82 0.00 0.00 0.00 0.00 23.12 23.78 2cuh s ALA 98 CO 0.04 0.09 1.38 -0.35 0.00 0.00 0.00 175.76 176.92 2cuh n PRO 99 N 2.33 0.33 -3.91 0.00 -0.04 -1.26 -4.68 135.00 127.76 2cuh n PRO 99 Ca -0.17 0.08 -0.36 0.00 -0.04 0.00 0.00 63.50 63.01 2cuh n PRO 99 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 2cuh n PRO 99 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2cuh s ARG 100 N -2.32 3.63 0.08 0.54 1.70 -1.26 -5.03 118.95 116.28 2cuh s ARG 100 Ca 0.18 -0.20 -0.32 0.00 -0.47 0.00 0.00 55.73 54.92 2cuh s ARG 100 Cb 0.10 -3.20 -0.17 0.00 -0.57 0.00 0.00 34.95 31.11 2cuh s ARG 100 CO 0.20 0.60 0.76 -3.47 -1.08 0.00 0.00 175.30 172.32 2cuh n ASP 101 N 2.53 -0.48 -4.08 -2.89 -0.08 -1.26 -4.89 116.55 105.41 2cuh n ASP 101 Ca -0.19 1.04 -0.35 0.00 -1.51 0.00 0.00 54.79 53.78 2cuh n ASP 101 Cb 0.54 -0.84 -0.08 0.00 2.34 0.00 0.00 41.12 43.08 2cuh n ASP 101 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2cuh s LEU 102 N 1.13 5.38 -0.13 -2.67 1.43 -1.26 -5.02 118.68 117.54 2cuh s LEU 102 Ca 0.72 -3.56 -0.30 0.00 -1.03 0.00 0.00 54.13 49.96 2cuh s LEU 102 Cb -1.02 -1.86 0.12 0.00 0.03 0.00 0.00 46.19 43.47 2cuh s LEU 102 CO 0.51 -0.21 0.99 -1.61 0.23 0.00 0.00 176.35 176.26 2cuh s GLU 103 N -1.09 0.62 -0.52 1.70 2.02 -1.26 -5.12 118.70 115.05 2cuh s GLU 103 Ca 0.25 0.04 -0.13 0.00 0.02 0.00 0.00 54.97 55.15 2cuh s GLU 103 Cb -0.10 0.29 0.13 0.00 0.10 0.00 0.00 34.13 34.55 2cuh s GLU 103 CO -0.11 -0.22 0.44 0.00 0.02 0.00 0.00 175.26 175.40 2cuh s ALA 104 N -1.58 3.55 -0.08 5.21 0.00 -1.26 -5.03 121.76 122.57 2cuh s ALA 104 Ca 0.00 -2.55 -0.04 0.00 0.00 0.00 0.00 51.96 49.37 2cuh s ALA 104 Cb -0.01 -3.09 0.04 0.00 0.00 0.00 0.00 23.12 20.06 2cuh s ALA 104 CO -0.01 -1.98 0.19 -1.59 0.00 0.00 0.00 175.76 172.37 2cuh s LYS 105 N 1.48 0.14 -0.79 0.00 -2.85 -1.26 -5.10 119.74 111.36 2cuh s LYS 105 Ca 0.04 0.43 -0.16 0.00 -1.00 0.00 0.00 55.97 55.29 2cuh s LYS 105 Cb -0.28 -0.15 0.17 0.00 -2.06 0.00 0.00 37.83 35.51 2cuh s LYS 105 CO 0.01 -0.16 0.82 -2.00 0.10 0.00 0.00 175.35 174.13 2cuh s GLU 106 N 1.19 3.47 -0.54 1.78 2.12 -1.26 -5.01 118.70 120.46 2cuh s GLU 106 Ca -0.09 -2.06 -0.20 0.00 0.36 0.00 0.00 54.97 52.98 2cuh s GLU 106 Cb -0.11 -4.51 0.07 0.00 0.26 0.00 0.00 34.13 29.83 2cuh s GLU 106 CO -0.07 -1.45 0.68 0.08 -0.54 0.00 0.00 175.26 173.97 2cuh s VAL 107 N 1.27 4.80 -0.23 3.70 1.01 -1.26 -5.03 120.40 124.65 2cuh s VAL 107 Ca 0.19 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 2cuh s VAL 107 Cb -0.13 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.85 2cuh s VAL 107 CO -0.06 -0.93 0.60 -0.89 0.00 0.00 0.00 175.10 173.81 2cuh s THR 108 N 2.81 5.03 0.90 3.92 2.01 -1.26 -5.06 115.64 123.99 2cuh s THR 108 Ca 0.16 1.09 -0.12 0.00 0.31 0.00 0.00 61.69 63.13 2cuh s THR 108 Cb -0.20 -3.91 0.13 0.00 0.01 0.00 0.00 72.50 68.54 2cuh s THR 108 CO 0.11 0.09 1.09 -2.16 -0.69 0.00 0.00 174.62 173.06 2cuh s PRO 109 N 2.14 1.21 -0.04 4.92 0.04 -1.26 -5.07 135.00 136.93 2cuh s PRO 109 Ca 0.26 0.80 -0.31 0.00 0.04 0.00 0.00 61.00 61.79 2cuh s PRO 109 Cb -0.16 -1.80 0.12 0.00 0.04 0.00 0.00 34.50 32.70 2cuh s PRO 109 CO 0.09 -2.27 1.23 -1.54 0.04 0.00 0.00 177.00 174.56 2cuh s SER 110 N -3.43 -0.09 -0.19 6.66 1.04 -1.26 -5.18 113.70 111.25 2cuh s SER 110 Ca 0.64 -0.12 -0.19 0.00 0.48 0.00 0.00 55.95 56.75 2cuh s SER 110 Cb -0.18 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.18 2cuh s SER 110 CO 0.57 -0.34 0.54 -0.83 0.98 0.00 0.00 173.24 174.16 2cuh s GLY 111 N -2.78 -0.40 0.54 7.32 0.00 -1.26 -5.16 107.32 105.57 2cuh s GLY 111 Ca 0.13 1.46 -0.20 0.00 0.00 0.00 0.00 44.72 46.11 2cuh s GLY 111 CO -0.04 1.25 1.13 2.56 0.00 0.00 0.00 173.10 178.00 2cuh s PRO 112 N 0.16 3.39 -0.13 2.90 0.04 -1.26 -5.04 135.00 135.05 2cuh s PRO 112 Ca -0.01 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.61 2cuh s PRO 112 Cb -0.04 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2cuh s PRO 112 CO 0.01 -0.82 0.05 -1.12 0.04 0.00 0.00 177.00 175.15 2cuh s SER 113 N -1.74 5.56 0.36 6.66 0.01 -1.26 -5.11 113.70 118.19 2cuh s SER 113 Ca 0.72 0.16 -0.03 0.00 1.31 0.00 0.00 55.95 58.12 2cuh s SER 113 Cb -0.24 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 2cuh s SER 113 CO 0.27 0.30 0.62 -0.55 0.41 0.00 0.00 173.24 174.29 2cuh s SER 114 N -0.38 6.35 0.00 2.44 0.15 -1.26 -5.38 113.70 115.61 2cuh s SER 114 Ca 0.09 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2cuh s SER 114 Cb -0.12 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2cuh s SER 114 CO 0.02 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.73