#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 1.08 0.45 1.61 0.01 -1.26 -5.16 113.70 110.44 2cuh s SER 2 Ca 0.00 -0.17 0.08 0.00 1.31 0.00 0.00 55.95 57.17 2cuh s SER 2 Cb 0.00 -0.12 0.01 0.00 0.21 0.00 0.00 66.02 66.13 2cuh s SER 2 CO 0.00 0.11 0.54 -0.94 0.41 0.00 0.00 173.24 173.36 2cuh s SER 3 N -0.24 5.32 -0.86 2.44 1.04 -1.26 -5.00 113.70 115.14 2cuh s SER 3 Ca 0.03 -0.64 -0.07 0.00 0.48 0.00 0.00 55.95 55.75 2cuh s SER 3 Cb -0.04 -0.41 -0.10 0.00 0.10 0.00 0.00 66.02 65.58 2cuh s SER 3 CO -0.00 -0.84 3.07 0.61 0.98 0.00 0.00 173.24 177.06 2cuh n GLY 4 N -1.82 3.99 2.38 7.32 0.00 -1.26 -4.55 105.19 111.25 2cuh n GLY 4 Ca 0.07 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 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 2.53 6.54 -0.12 1.61 2.88 -1.26 -4.61 113.62 121.19 2cuh n SER 5 Ca 0.60 -3.78 -0.22 0.00 -1.33 0.00 0.00 58.87 54.14 2cuh n SER 5 Cb 0.51 -0.76 -0.08 0.00 -0.75 0.00 0.00 64.21 63.14 2cuh n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cuh n SER 6 N -0.74 1.94 -4.20 -3.46 2.88 -1.26 -5.00 113.62 103.78 2cuh n SER 6 Ca 0.53 0.35 -0.35 0.00 -1.33 0.00 0.00 58.87 58.08 2cuh n SER 6 Cb 0.66 -0.81 0.08 0.00 -0.75 0.00 0.00 64.21 63.40 2cuh n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cuh n GLY 7 N 1.34 -3.28 0.00 0.46 0.00 -1.26 -4.98 105.19 97.47 2cuh n GLY 7 Ca -0.39 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 0.37 -0.88 -0.01 1.61 -0.04 -1.26 -5.00 135.00 129.79 2cuh n PRO 8 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2cuh n PRO 8 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.03 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 -2.79 1.93 0.00 3.54 8.00 -1.26 -5.03 116.55 120.95 2cuh n ASP 9 Ca 0.00 -1.87 0.00 0.00 0.71 0.00 0.00 54.79 53.63 2cuh n ASP 9 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 -0.36 4.36 3.70 0.44 0.00 -1.26 -4.70 105.19 107.36 2cuh n GLY 10 Ca 0.01 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 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 2.36 4.30 0.15 1.61 0.04 -1.26 -4.27 135.00 137.93 2cuh s PRO 11 Ca 0.00 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.10 2cuh s PRO 11 Cb 0.00 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 2cuh s PRO 11 CO 0.00 -0.52 -0.05 0.95 0.04 0.00 0.00 177.00 177.42 2cuh s THR 12 N 1.85 0.86 -0.96 1.26 -4.23 -1.18 -4.61 115.64 108.62 2cuh s THR 12 Ca 0.65 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.13 2cuh s THR 12 Cb -0.34 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.55 2cuh s THR 12 CO 0.29 -0.64 0.37 0.00 -0.54 0.00 0.00 174.62 174.09 2cuh n GLN 13 N -0.19 -2.97 -1.68 3.99 1.13 -1.26 -1.83 117.38 114.57 2cuh n GLN 13 Ca -0.09 0.56 -0.43 0.00 -1.94 0.00 0.00 57.00 55.10 2cuh n GLN 13 Cb 0.62 -4.70 -0.03 0.00 0.11 0.00 0.00 30.24 26.24 2cuh n GLN 13 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2cuh n LEU 14 N -2.56 4.00 -4.25 1.08 7.94 -1.26 -4.63 117.00 117.32 2cuh n LEU 14 Ca -0.07 0.96 -0.15 0.00 -1.11 0.00 0.00 56.01 55.64 2cuh n LEU 14 Cb 0.58 -1.52 -0.10 0.00 0.53 0.00 0.00 43.42 42.91 2cuh n LEU 14 CO 0.29 0.15 -0.41 -0.60 -1.11 0.00 0.00 177.39 175.70 2cuh s ARG 15 N 3.31 1.07 -0.46 1.96 3.52 -0.91 -4.99 118.95 122.45 2cuh s ARG 15 Ca 0.85 -1.44 -0.14 0.00 -0.13 0.00 0.00 55.73 54.88 2cuh s ARG 15 Cb -0.49 -0.67 0.07 0.00 -1.56 0.00 0.00 34.95 32.30 2cuh s ARG 15 CO 0.40 0.09 0.36 0.00 -0.81 0.00 0.00 175.30 175.33 2cuh s ALA 16 N -3.21 3.49 0.81 6.12 0.00 -1.26 -3.56 121.76 124.15 2cuh s ALA 16 Ca 0.16 -2.11 -0.12 0.00 0.00 0.00 0.00 51.96 49.89 2cuh s ALA 16 Cb 0.02 -2.95 0.08 0.00 0.00 0.00 0.00 23.12 20.26 2cuh s ALA 16 CO 0.01 -1.70 1.15 -1.17 0.00 0.00 0.00 175.76 174.05 2cuh s LEU 17 N 1.58 2.46 -1.10 0.00 2.96 -1.26 -4.97 118.68 118.37 2cuh s LEU 17 Ca 0.04 0.94 -0.18 0.00 -0.22 0.00 0.00 54.13 54.71 2cuh s LEU 17 Cb -0.24 -3.46 0.11 0.00 0.50 0.00 0.00 46.19 43.11 2cuh s LEU 17 CO 0.05 -1.97 1.40 0.54 -1.32 0.00 0.00 176.35 175.06 2cuh s ASN 18 N -4.34 6.76 0.46 3.68 2.20 -1.26 -4.98 114.94 117.47 2cuh s ASN 18 Ca 0.62 -2.25 0.08 0.00 -0.94 0.00 0.00 52.86 50.37 2cuh s ASN 18 Cb -0.12 -2.47 0.02 0.00 -2.00 0.00 0.00 41.25 36.68 2cuh s ASN 18 CO 0.51 -1.10 0.57 -1.48 -2.94 0.00 0.00 177.10 172.67 2cuh s LEU 19 N 3.18 3.42 -0.40 3.54 -0.00 -1.26 -5.00 118.68 122.16 2cuh s LEU 19 Ca 0.42 -0.63 -0.44 0.00 -0.00 0.00 0.00 54.13 53.48 2cuh s LEU 19 Cb -0.02 -2.22 -0.19 0.00 -0.00 0.00 0.00 46.19 43.77 2cuh s LEU 19 CO -0.04 -0.89 1.45 0.41 -0.00 0.00 0.00 176.35 177.28 2cuh n THR 20 N -1.87 0.00 -0.02 5.48 -1.04 -1.21 -4.67 114.28 110.94 2cuh n THR 20 Ca 0.08 0.00 0.20 0.00 -2.04 0.00 0.00 64.05 62.29 2cuh n THR 20 Cb 0.60 -0.40 0.39 0.00 -1.82 0.00 0.00 70.33 69.11 2cuh n THR 20 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2cuh h GLU 21 N 4.47 0.00 0.00 -2.82 4.57 -1.94 -0.42 114.58 118.43 2cuh h GLU 21 Ca -0.43 0.00 -0.44 0.00 -1.18 0.00 0.00 59.36 57.31 2cuh h GLU 21 Cb 1.32 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.84 2cuh h GLU 21 CO 0.89 0.00 -2.45 0.41 -1.18 0.00 0.00 179.01 176.67 2cuh n GLY 22 N -1.62 -0.46 3.57 1.92 0.00 -1.26 -4.53 105.19 102.82 2cuh n GLY 22 Ca 0.15 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.54 2.79 -0.11 1.61 2.19 -0.17 -4.86 117.98 116.90 2cuh s PHE 23 Ca -0.38 0.45 -0.10 0.00 0.33 0.00 0.00 56.93 57.23 2cuh s PHE 23 Cb 0.14 -4.27 -0.05 0.00 -1.31 0.00 0.00 43.02 37.53 2cuh s PHE 23 CO 0.49 -1.31 0.21 0.00 1.83 0.00 0.00 175.22 176.44 2cuh s ALA 24 N 4.30 3.79 0.17 11.12 0.00 -1.20 -3.32 121.76 136.63 2cuh s ALA 24 Ca 0.41 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.86 2cuh s ALA 24 Cb -0.09 -2.12 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 2cuh s ALA 24 CO 0.27 0.48 -0.02 0.14 0.00 0.00 0.00 175.76 176.63 2cuh s VAL 25 N -0.71 0.80 0.03 0.00 -7.23 -1.26 0.08 120.40 112.12 2cuh s VAL 25 Ca 0.16 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.35 2cuh s VAL 25 Cb -0.13 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 2cuh s VAL 25 CO 0.05 -0.52 0.07 -0.76 -0.31 0.00 0.00 175.10 173.63 2cuh s LEU 26 N -3.18 3.79 -0.14 1.32 1.43 -1.20 -4.75 118.68 115.96 2cuh s LEU 26 Ca 0.23 0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.38 2cuh s LEU 26 Cb 0.05 -2.33 0.03 0.00 0.03 0.00 0.00 46.19 43.97 2cuh s LEU 26 CO 0.04 0.23 -0.09 -2.28 0.23 0.00 0.00 176.35 174.47 2cuh s HIS 27 N -1.27 1.77 0.11 0.29 2.46 -1.23 -3.65 115.29 113.77 2cuh s HIS 27 Ca 0.25 -0.99 0.06 0.00 0.47 0.00 0.00 55.06 54.85 2cuh s HIS 27 Cb -0.12 -1.38 -0.03 0.00 -0.13 0.00 0.00 32.58 30.92 2cuh s HIS 27 CO 0.17 -0.59 -0.15 1.67 -2.47 0.00 0.00 174.74 173.37 2cuh s TRP 28 N 1.61 1.39 -0.23 3.88 -2.14 -1.25 -2.15 118.94 120.06 2cuh s TRP 28 Ca 0.04 -0.51 -0.16 0.00 2.66 0.00 0.00 56.10 58.13 2cuh s TRP 28 Cb -0.13 -0.74 -0.04 0.00 -3.10 0.00 0.00 33.47 29.46 2cuh s TRP 28 CO -0.09 0.13 0.41 0.21 -2.66 0.00 0.00 176.95 174.95 2cuh s LYS 29 N -2.32 4.12 -0.06 3.25 2.20 -0.76 -4.88 119.74 121.28 2cuh s LYS 29 Ca 0.06 0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 55.55 2cuh s LYS 29 Cb -0.07 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 2cuh s LYS 29 CO 0.03 -0.15 1.50 -1.25 -0.36 0.00 0.00 175.35 175.11 2cuh s PRO 30 N 1.67 4.22 0.83 4.03 0.04 -1.26 -3.12 135.00 141.41 2cuh s PRO 30 Ca 0.18 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.12 2cuh s PRO 30 Cb -0.15 -3.82 0.09 0.00 0.04 0.00 0.00 34.50 30.66 2cuh s PRO 30 CO 0.09 -0.74 1.09 -1.25 0.04 0.00 0.00 177.00 176.23 2cuh s PRO 31 N 3.46 1.81 0.16 0.56 0.04 -1.26 -4.90 135.00 134.86 2cuh s PRO 31 Ca 0.66 1.01 -0.14 0.00 0.04 0.00 0.00 61.00 62.58 2cuh s PRO 31 Cb -0.30 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.53 2cuh s PRO 31 CO 0.25 -1.91 1.13 0.94 0.04 0.00 0.00 177.00 177.45 2cuh n GLN 32 N -3.68 -0.19 -3.42 4.56 7.27 -1.26 -3.81 117.38 116.85 2cuh n GLN 32 Ca 0.08 1.12 -0.39 0.00 0.07 0.00 0.00 57.00 57.89 2cuh n GLN 32 Cb 0.54 -1.66 -0.09 0.00 2.41 0.00 0.00 30.24 31.43 2cuh n GLN 32 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2cuh s ASN 33 N -5.28 6.24 -0.24 1.69 2.47 -1.26 -5.04 114.94 113.52 2cuh s ASN 33 Ca -0.10 0.27 -0.29 0.00 0.42 0.00 0.00 52.86 53.16 2cuh s ASN 33 Cb 0.14 -2.20 -0.02 0.00 -1.45 0.00 0.00 41.25 37.72 2cuh s ASN 33 CO 0.51 -0.15 1.62 -2.16 -3.72 0.00 0.00 177.10 173.21 2cuh s PRO 34 N 1.94 3.73 1.37 0.43 0.04 -1.25 -4.93 135.00 136.34 2cuh s PRO 34 Ca 0.14 1.60 -0.22 0.00 0.04 0.00 0.00 61.00 62.56 2cuh s PRO 34 Cb -0.16 -4.05 0.34 0.00 0.04 0.00 0.00 34.50 30.67 2cuh s PRO 34 CO 0.10 -1.37 0.77 1.33 0.04 0.00 0.00 177.00 177.86 2cuh n VAL 35 N 6.56 0.00 -0.09 -0.36 0.24 -1.26 -5.00 118.33 118.42 2cuh n VAL 35 Ca 0.19 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.34 62.35 2cuh n VAL 35 Cb 0.46 -0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 31.89 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 -4.76 1.84 -4.01 -1.34 8.00 -1.04 -4.22 116.55 111.03 2cuh n ASP 36 Ca 0.12 0.52 -0.08 0.00 0.71 0.00 0.00 54.79 56.06 2cuh n ASP 36 Cb 0.53 -0.91 -0.10 0.00 -0.02 0.00 0.00 41.12 40.62 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 -2.33 0.16 -0.17 -3.53 -4.23 -1.25 -0.30 115.64 104.00 2cuh s THR 37 Ca -0.22 -1.28 -0.03 0.00 -1.18 0.00 0.00 61.69 58.98 2cuh s THR 37 Cb 0.04 -0.87 -0.02 0.00 1.34 0.00 0.00 72.50 72.99 2cuh s THR 37 CO 0.40 -0.71 -0.07 -0.31 -0.54 0.00 0.00 174.62 173.39 2cuh s TYR 38 N -2.63 2.94 -0.53 3.99 2.02 0.92 -0.57 117.35 123.48 2cuh s TYR 38 Ca -0.05 -0.60 -0.19 0.00 -0.37 0.00 0.00 57.07 55.87 2cuh s TYR 38 Cb -0.01 -1.97 0.08 0.00 -0.40 0.00 0.00 41.96 39.66 2cuh s TYR 38 CO -0.05 -0.24 0.62 -0.51 -1.57 0.00 0.00 175.55 173.80 2cuh s ASP 39 N 0.70 6.20 -0.13 2.29 1.11 0.13 -2.67 116.67 124.29 2cuh s ASP 39 Ca -0.03 -1.14 -0.06 0.00 0.18 0.00 0.00 52.55 51.49 2cuh s ASP 39 Cb -0.15 -2.28 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 2cuh s ASP 39 CO 0.02 -0.94 0.08 -0.63 1.18 0.00 0.00 175.17 174.89 2cuh s ILE 40 N 2.52 5.01 -0.05 0.77 1.09 -0.97 -0.50 121.20 129.07 2cuh s ILE 40 Ca 0.12 0.03 -0.02 0.00 -1.10 0.00 0.00 60.65 59.69 2cuh s ILE 40 Cb -0.22 -3.19 0.03 0.00 -1.06 0.00 0.00 42.46 38.02 2cuh s ILE 40 CO 0.09 0.56 0.03 -1.58 -0.10 0.00 0.00 174.94 173.95 2cuh s GLN 41 N -0.55 0.26 -0.14 2.79 0.74 -0.37 -2.69 119.66 119.71 2cuh s GLN 41 Ca 0.11 0.23 -0.04 0.00 0.05 0.00 0.00 55.36 55.71 2cuh s GLN 41 Cb -0.12 -0.72 -0.03 0.00 1.10 0.00 0.00 33.01 33.24 2cuh s GLN 41 CO 0.02 -0.30 0.01 0.08 -0.55 0.00 0.00 175.29 174.54 2cuh s VAL 42 N 2.00 4.31 0.16 1.34 1.01 -0.19 -1.53 120.40 127.50 2cuh s VAL 42 Ca 0.04 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 2cuh s VAL 42 Cb -0.12 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 2cuh s VAL 42 CO -0.04 0.52 0.27 0.42 0.00 0.00 0.00 175.10 176.27 2cuh s THR 43 N -0.00 0.07 -0.08 3.92 -4.23 -1.03 -1.68 115.64 112.61 2cuh s THR 43 Ca 0.03 -1.42 -0.30 0.00 -1.18 0.00 0.00 61.69 58.82 2cuh s THR 43 Cb -0.13 -1.87 0.11 0.00 1.34 0.00 0.00 72.50 71.96 2cuh s THR 43 CO 0.02 -0.30 0.96 0.00 -0.54 0.00 0.00 174.62 174.76 2cuh s ALA 44 N -3.98 -1.89 -0.57 3.99 0.00 -1.26 -1.79 121.76 116.26 2cuh s ALA 44 Ca 0.18 1.26 -0.27 0.00 0.00 0.00 0.00 51.96 53.14 2cuh s ALA 44 Cb 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 2cuh s ALA 44 CO 0.00 -0.56 1.84 -1.25 0.00 0.00 0.00 175.76 175.80 2cuh s PRO 45 N -2.42 2.73 0.00 0.00 0.04 -1.26 -2.29 135.00 131.79 2cuh s PRO 45 Ca 0.03 0.72 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2cuh s PRO 45 Cb -0.01 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2cuh s PRO 45 CO -0.05 -2.60 0.00 0.41 0.04 0.00 0.00 177.00 174.80 2cuh n GLY 46 N 5.65 0.80 3.27 0.56 0.00 -1.26 -5.06 105.19 109.16 2cuh n GLY 46 Ca 0.21 -0.33 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.00 1.70 0.37 4.61 0.00 -0.97 -5.13 121.76 120.34 2cuh s ALA 47 Ca 0.00 -1.33 -0.26 0.00 0.00 0.00 0.00 51.96 50.37 2cuh s ALA 47 Cb 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.89 2cuh s ALA 47 CO 0.00 0.20 1.20 -1.25 0.00 0.00 0.00 175.76 175.91 2cuh s PRO 48 N -2.49 4.17 0.46 0.00 0.04 -1.26 -4.50 135.00 131.41 2cuh s PRO 48 Ca 0.10 1.93 -0.23 0.00 0.04 0.00 0.00 61.00 62.84 2cuh s PRO 48 Cb -0.07 -2.81 -0.07 0.00 0.04 0.00 0.00 34.50 31.59 2cuh s PRO 48 CO 0.04 -0.25 1.16 -1.25 0.04 0.00 0.00 177.00 176.75 2cuh s PRO 49 N -2.10 3.77 -0.04 0.56 0.04 -1.26 -4.79 135.00 131.17 2cuh s PRO 49 Ca 0.54 1.77 0.01 0.00 0.04 0.00 0.00 61.00 63.36 2cuh s PRO 49 Cb -0.33 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 31.82 2cuh s PRO 49 CO 0.42 -0.54 -0.03 -1.17 0.04 0.00 0.00 177.00 175.72 2cuh s LEU 50 N -3.01 1.27 0.08 -3.56 2.96 -0.67 -5.03 118.68 110.72 2cuh s LEU 50 Ca 0.63 -0.11 0.07 0.00 -0.22 0.00 0.00 54.13 54.51 2cuh s LEU 50 Cb -0.28 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 2cuh s LEU 50 CO 0.35 -0.07 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.54 2cuh s GLN 51 N 0.97 1.07 -0.06 1.98 -0.44 -1.26 -1.02 119.66 120.90 2cuh s GLN 51 Ca -0.10 -1.05 -0.30 0.00 -2.50 0.00 0.00 55.36 51.41 2cuh s GLN 51 Cb -0.14 -1.24 0.11 0.00 -1.64 0.00 0.00 33.01 30.10 2cuh s GLN 51 CO -0.00 0.29 0.95 0.00 0.50 0.00 0.00 175.29 177.03 2cuh s ALA 52 N -1.11 -1.88 0.09 1.58 0.00 -1.09 -5.04 121.76 114.31 2cuh s ALA 52 Ca 0.04 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.26 2cuh s ALA 52 Cb -0.10 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 2cuh s ALA 52 CO 0.03 -0.59 -0.11 -2.00 0.00 0.00 0.00 175.76 173.10 2cuh s GLU 53 N -2.56 0.84 -0.04 0.00 2.12 -1.26 -2.29 118.70 115.51 2cuh s GLU 53 Ca 0.04 -1.12 -0.11 0.00 0.36 0.00 0.00 54.97 54.14 2cuh s GLU 53 Cb -0.01 -0.60 0.02 0.00 0.26 0.00 0.00 34.13 33.80 2cuh s GLU 53 CO -0.06 0.10 0.25 -0.08 -0.54 0.00 0.00 175.26 174.93 2cuh s THR 54 N -2.19 0.04 0.40 -1.70 -1.32 -1.09 -4.97 115.64 104.81 2cuh s THR 54 Ca 0.04 -0.36 -0.25 0.00 -1.21 0.00 0.00 61.69 59.91 2cuh s THR 54 Cb -0.04 -0.48 -0.08 0.00 -1.51 0.00 0.00 72.50 70.38 2cuh s THR 54 CO 0.01 -0.20 1.19 -2.16 -2.21 0.00 0.00 174.62 171.25 2cuh s PRO 55 N -0.80 4.03 0.30 7.08 0.04 -1.26 -0.05 135.00 144.33 2cuh s PRO 55 Ca -0.09 1.88 0.04 0.00 0.04 0.00 0.00 61.00 62.87 2cuh s PRO 55 Cb -0.05 -2.68 0.78 0.00 0.04 0.00 0.00 34.50 32.59 2cuh s PRO 55 CO 0.02 -0.35 1.63 0.78 0.04 0.00 0.00 177.00 179.12 2cuh h GLY 56 N 2.63 1.44 -1.49 0.56 0.00 -0.83 0.22 103.07 105.60 2cuh h GLY 56 Ca -0.49 -0.01 0.47 0.00 0.00 0.00 0.00 47.33 47.30 2cuh h GLY 56 CO 0.62 -0.44 1.02 1.44 0.00 0.00 0.00 176.54 179.19 2cuh n SER 57 N -5.27 0.10 -4.81 0.19 7.64 -1.26 -4.26 113.62 105.95 2cuh n SER 57 Ca 0.23 1.09 -0.35 0.00 1.01 0.00 0.00 58.87 60.85 2cuh n SER 57 Cb 0.76 -0.54 -0.06 0.00 -1.01 0.00 0.00 64.21 63.35 2cuh n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cuh s ALA 58 N -4.89 3.26 -0.10 -0.43 0.00 0.76 -4.98 121.76 115.37 2cuh s ALA 58 Ca -0.06 0.31 0.13 0.00 0.00 0.00 0.00 51.96 52.35 2cuh s ALA 58 Cb 0.26 -3.00 0.21 0.00 0.00 0.00 0.00 23.12 20.59 2cuh s ALA 58 CO 0.77 0.24 1.11 1.33 0.00 0.00 0.00 175.76 179.21 2cuh n VAL 59 N 0.22 1.63 -3.60 0.00 0.24 -1.26 -4.95 118.33 110.62 2cuh n VAL 59 Ca 0.02 -1.88 -0.09 0.00 -2.04 0.00 0.00 64.34 60.35 2cuh n VAL 59 Cb 0.52 -0.02 -0.05 0.00 -1.47 0.00 0.00 33.84 32.81 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 -2.29 -0.33 -0.31 -1.34 -4.77 -1.26 -3.89 116.67 102.48 2cuh s ASP 60 Ca 0.23 0.44 -0.01 0.00 -3.30 0.00 0.00 52.55 49.90 2cuh s ASP 60 Cb 0.20 0.37 0.10 0.00 -1.09 0.00 0.00 42.92 42.50 2cuh s ASP 60 CO 0.02 -0.26 0.11 -0.47 0.70 0.00 0.00 175.17 175.27 2cuh s TYR 61 N -0.79 1.41 0.06 2.11 5.04 -1.24 -4.98 117.35 118.96 2cuh s TYR 61 Ca 0.01 -1.56 -0.31 0.00 -2.44 0.00 0.00 57.07 52.77 2cuh s TYR 61 Cb -0.02 -1.54 -0.07 0.00 0.35 0.00 0.00 41.96 40.69 2cuh s TYR 61 CO -0.02 -0.87 1.41 -1.25 -1.34 0.00 0.00 175.55 173.48 2cuh s PRO 62 N 1.71 4.30 -0.11 4.97 0.04 -1.26 -3.21 135.00 141.43 2cuh s PRO 62 Ca 0.10 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.14 2cuh s PRO 62 Cb -0.17 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 2cuh s PRO 62 CO -0.28 -0.51 -0.01 -0.51 0.04 0.00 0.00 177.00 175.74 2cuh s LEU 63 N 1.78 3.49 0.53 -3.56 1.43 0.11 -4.96 118.68 117.51 2cuh s LEU 63 Ca 0.65 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.81 2cuh s LEU 63 Cb -0.34 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.07 2cuh s LEU 63 CO 0.29 0.30 0.10 -1.38 0.23 0.00 0.00 176.35 175.88 2cuh s HIS 64 N -0.39 1.72 -1.24 0.29 -3.43 -1.26 -3.21 115.29 107.77 2cuh s HIS 64 Ca 0.07 -0.96 -0.01 0.00 -0.80 0.00 0.00 55.06 53.36 2cuh s HIS 64 Cb -0.12 -1.66 0.00 0.00 -1.43 0.00 0.00 32.58 29.37 2cuh s HIS 64 CO 0.02 0.03 0.93 -3.47 -2.00 0.00 0.00 174.74 170.25 2cuh n ASP 65 N -1.42 -2.02 -4.28 7.38 2.03 -1.26 -4.99 116.55 111.98 2cuh n ASP 65 Ca -0.16 -0.67 -0.35 0.00 0.52 0.00 0.00 54.79 54.13 2cuh n ASP 65 Cb 0.66 -4.85 -0.14 0.00 -0.72 0.00 0.00 41.12 36.07 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 -6.48 2.77 0.27 -2.67 1.43 -1.26 -5.09 118.68 107.64 2cuh s LEU 66 Ca 0.03 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 2cuh s LEU 66 Cb -0.01 -1.69 -0.13 0.00 0.03 0.00 0.00 46.19 44.39 2cuh s LEU 66 CO 0.75 -0.01 1.46 0.52 0.23 0.00 0.00 176.35 179.30 2cuh n VAL 67 N 4.70 1.09 -1.86 -1.59 0.31 -1.26 -4.97 118.33 114.76 2cuh n VAL 67 Ca -0.19 -0.27 -0.30 0.00 -0.01 0.00 0.00 64.34 63.57 2cuh n VAL 67 Cb 0.51 -1.64 0.04 0.00 -0.91 0.00 0.00 33.84 31.83 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 -0.21 2.98 -1.50 7.52 2.01 -1.26 -4.02 118.68 124.21 2cuh s LEU 68 Ca 0.65 1.23 -0.12 0.00 0.01 0.00 0.00 54.13 55.90 2cuh s LEU 68 Cb -0.59 -4.09 0.07 0.00 0.01 0.00 0.00 46.19 41.59 2cuh s LEU 68 CO 0.51 -1.24 1.00 1.41 1.01 0.00 0.00 176.35 179.04 2cuh n HIS 69 N -2.96 -2.36 -3.79 0.29 8.25 -1.25 -4.77 115.22 108.64 2cuh n HIS 69 Ca 0.07 0.92 -0.13 0.00 -0.26 0.00 0.00 57.72 58.32 2cuh n HIS 69 Cb 0.56 -4.15 -0.12 0.00 1.12 0.00 0.00 29.99 27.41 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 -3.32 -0.01 -0.17 1.59 2.01 -1.26 -4.98 115.64 109.50 2cuh s THR 70 Ca 0.62 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 2cuh s THR 70 Cb -0.30 -0.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.87 2cuh s THR 70 CO 0.82 0.01 1.15 0.21 -0.69 0.00 0.00 174.62 176.11 2cuh s ASN 71 N 0.26 7.04 -0.14 3.53 3.04 -1.26 -3.93 114.94 123.49 2cuh s ASN 71 Ca -0.01 1.57 0.02 0.00 0.04 0.00 0.00 52.86 54.48 2cuh s ASN 71 Cb -0.03 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.14 2cuh s ASN 71 CO -0.01 -0.68 -0.19 -0.31 -3.04 0.00 0.00 177.10 172.87 2cuh s TYR 72 N 3.10 2.70 -0.29 0.43 2.02 -1.25 -4.49 117.35 119.57 2cuh s TYR 72 Ca 0.50 -1.15 -0.11 0.00 -0.37 0.00 0.00 57.07 55.94 2cuh s TYR 72 Cb -0.19 -1.83 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 2cuh s TYR 72 CO 0.12 -0.51 0.19 0.99 -1.57 0.00 0.00 175.55 174.77 2cuh s THR 73 N 0.72 5.23 -0.09 -0.71 2.01 -0.74 -3.81 115.64 118.25 2cuh s THR 73 Ca -0.08 0.06 -0.02 0.00 0.31 0.00 0.00 61.69 61.96 2cuh s THR 73 Cb -0.16 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 2cuh s THR 73 CO 0.01 0.20 0.02 0.00 -0.69 0.00 0.00 174.62 174.16 2cuh s ALA 74 N 1.74 3.35 -0.18 7.40 0.00 -1.22 -2.46 121.76 130.39 2cuh s ALA 74 Ca 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.24 2cuh s ALA 74 Cb -0.16 -1.54 0.04 0.00 0.00 0.00 0.00 23.12 21.46 2cuh s ALA 74 CO 0.10 0.58 -0.09 0.99 0.00 0.00 0.00 175.76 177.34 2cuh s THR 75 N -0.87 1.46 -0.22 0.00 2.01 -0.58 -3.00 115.64 114.44 2cuh s THR 75 Ca 0.13 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.26 2cuh s THR 75 Cb -0.11 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.84 2cuh s THR 75 CO 0.02 0.21 0.01 -0.69 -0.69 0.00 0.00 174.62 173.48 2cuh s VAL 76 N 1.49 3.90 0.25 3.82 1.01 0.82 -1.24 120.40 130.45 2cuh s VAL 76 Ca 0.00 -0.32 0.11 0.00 0.00 0.00 0.00 61.98 61.78 2cuh s VAL 76 Cb -0.15 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 2cuh s VAL 76 CO -0.08 0.40 -0.18 -0.13 0.00 0.00 0.00 175.10 175.11 2cuh s ARG 77 N 1.28 1.72 -0.14 2.72 0.52 0.35 0.02 118.95 125.42 2cuh s ARG 77 Ca 0.04 -1.63 0.00 0.00 -0.52 0.00 0.00 55.73 53.62 2cuh s ARG 77 Cb -0.15 -1.86 -0.01 0.00 0.52 0.00 0.00 34.95 33.46 2cuh s ARG 77 CO 0.01 0.36 -0.15 0.20 0.02 0.00 0.00 175.30 175.74 2cuh s GLY 78 N -3.25 1.49 -0.48 -3.53 0.00 -1.26 0.17 107.32 100.46 2cuh s GLY 78 Ca 0.27 -0.98 -0.21 0.00 0.00 0.00 0.00 44.72 43.81 2cuh s GLY 78 CO 0.14 -0.09 0.70 1.08 0.00 0.00 0.00 173.10 174.94 2cuh s LEU 79 N 0.60 4.56 -0.40 0.66 2.01 0.26 -2.39 118.68 123.98 2cuh s LEU 79 Ca -0.09 -0.52 0.03 0.00 0.01 0.00 0.00 54.13 53.57 2cuh s LEU 79 Cb -0.16 -2.67 0.11 0.00 0.01 0.00 0.00 46.19 43.48 2cuh s LEU 79 CO 0.03 -0.91 0.13 -0.13 1.01 0.00 0.00 176.35 176.49 2cuh s ARG 80 N 3.00 1.54 3.55 1.70 1.81 -1.11 -2.50 118.95 126.95 2cuh s ARG 80 Ca 0.22 -2.04 0.00 0.00 -1.72 0.00 0.00 55.73 52.19 2cuh s ARG 80 Cb -0.15 -3.05 0.00 0.00 -0.45 0.00 0.00 34.95 31.30 2cuh s ARG 80 CO 0.17 -1.01 0.00 0.41 -0.68 0.00 0.00 175.30 174.18 2cuh n GLY 81 N 3.90 1.01 0.00 -3.53 0.00 -1.26 -2.06 105.19 103.25 2cuh n GLY 81 Ca 0.04 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.61 1.61 -0.04 -1.26 -4.73 135.00 126.46 2cuh n PRO 82 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 2cuh n PRO 82 Cb 0.00 -1.32 -0.11 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 -1.82 3.84 0.14 3.54 0.01 -0.87 -5.16 114.94 114.62 2cuh s ASN 83 Ca 0.15 -1.34 0.06 0.00 -0.71 0.00 0.00 52.86 51.02 2cuh s ASN 83 Cb 0.07 -0.39 -0.04 0.00 0.41 0.00 0.00 41.25 41.30 2cuh s ASN 83 CO 0.11 -0.41 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.39 2cuh s LEU 84 N -3.69 2.43 0.53 0.60 1.43 -1.26 -2.74 118.68 115.98 2cuh s LEU 84 Ca 0.35 -0.85 0.07 0.00 -1.03 0.00 0.00 54.13 52.66 2cuh s LEU 84 Cb 0.09 -0.60 0.06 0.00 0.03 0.00 0.00 46.19 45.76 2cuh s LEU 84 CO 0.18 -0.14 0.73 0.42 0.23 0.00 0.00 176.35 177.77 2cuh s THR 85 N -2.26 2.54 0.19 5.49 -4.23 -1.01 -4.96 115.64 111.41 2cuh s THR 85 Ca 0.12 -0.90 -0.31 0.00 -1.18 0.00 0.00 61.69 59.42 2cuh s THR 85 Cb -0.04 -2.64 -0.09 0.00 1.34 0.00 0.00 72.50 71.07 2cuh s THR 85 CO 0.04 0.00 1.43 -0.44 -0.54 0.00 0.00 174.62 175.11 2cuh s SER 86 N -4.52 6.73 0.25 3.99 0.01 -1.26 -4.60 113.70 114.29 2cuh s SER 86 Ca 0.59 2.52 -0.30 0.00 1.31 0.00 0.00 55.95 60.08 2cuh s SER 86 Cb -0.08 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.45 2cuh s SER 86 CO 0.37 -0.68 1.27 -2.16 0.41 0.00 0.00 173.24 172.45 2cuh s PRO 87 N 0.34 4.43 -0.33 12.44 0.04 -1.26 -4.67 135.00 145.98 2cuh s PRO 87 Ca 0.62 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 63.60 2cuh s PRO 87 Cb -0.40 -3.16 -0.00 0.00 0.04 0.00 0.00 34.50 30.98 2cuh s PRO 87 CO 0.37 -0.15 0.19 0.00 0.04 0.00 0.00 177.00 177.45 2cuh s ALA 88 N -0.47 3.35 0.17 8.56 0.00 0.10 -4.92 121.76 128.56 2cuh s ALA 88 Ca 0.52 -1.45 0.10 0.00 0.00 0.00 0.00 51.96 51.13 2cuh s ALA 88 Cb -0.37 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 2cuh s ALA 88 CO 0.43 -1.01 -0.16 -1.54 0.00 0.00 0.00 175.76 173.47 2cuh s SER 89 N 1.64 3.91 0.12 0.00 1.04 -1.26 -0.13 113.70 119.03 2cuh s SER 89 Ca 0.05 -0.66 -0.25 0.00 0.48 0.00 0.00 55.95 55.57 2cuh s SER 89 Cb -0.18 -0.53 0.08 0.00 0.10 0.00 0.00 66.02 65.49 2cuh s SER 89 CO 0.08 0.13 0.69 -0.51 0.98 0.00 0.00 173.24 174.61 2cuh s ILE 90 N -1.56 0.00 -0.24 -1.02 2.07 -1.16 -4.96 121.20 114.33 2cuh s ILE 90 Ca 0.22 -0.06 0.02 0.00 -1.41 0.00 0.00 60.65 59.42 2cuh s ILE 90 Cb -0.09 -1.07 0.04 0.00 0.13 0.00 0.00 42.46 41.48 2cuh s ILE 90 CO 0.12 0.00 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.14 2cuh s THR 91 N -3.57 2.25 -0.03 4.00 2.01 -1.26 -3.40 115.64 115.63 2cuh s THR 91 Ca 0.03 -1.36 0.02 0.00 0.31 0.00 0.00 61.69 60.69 2cuh s THR 91 Cb -0.01 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.30 2cuh s THR 91 CO -0.11 0.16 -0.09 0.72 -0.69 0.00 0.00 174.62 174.61 2cuh s PHE 92 N 1.19 0.97 0.04 4.92 -0.71 -1.25 -5.03 117.98 118.11 2cuh s PHE 92 Ca -0.04 -0.25 -0.26 0.00 -1.04 0.00 0.00 56.93 55.34 2cuh s PHE 92 Cb -0.18 -0.69 -0.05 0.00 -1.21 0.00 0.00 43.02 40.89 2cuh s PHE 92 CO -0.07 -0.11 0.81 0.99 -1.34 0.00 0.00 175.22 175.51 2cuh s THR 93 N 0.21 4.75 -0.10 -4.49 2.01 -1.26 -3.84 115.64 112.91 2cuh s THR 93 Ca -0.03 1.73 -0.15 0.00 0.31 0.00 0.00 61.69 63.54 2cuh s THR 93 Cb -0.09 -4.16 -0.12 0.00 0.01 0.00 0.00 72.50 68.14 2cuh s THR 93 CO 0.01 0.32 0.48 0.71 -0.69 0.00 0.00 174.62 175.44 2cuh h THR 94 N 4.26 0.76 -1.99 -0.82 1.35 -1.86 -3.37 112.91 111.24 2cuh h THR 94 Ca -0.43 -1.44 -0.71 0.00 -0.55 0.00 0.00 66.41 63.28 2cuh h THR 94 Cb 1.21 1.40 -0.32 0.00 -1.73 0.00 0.00 68.15 68.70 2cuh h THR 94 CO 0.72 0.24 0.42 0.61 -0.25 0.00 0.00 175.52 177.26 2cuh n GLY 95 N 1.38 5.80 0.09 5.82 0.00 -1.26 -4.65 105.19 112.37 2cuh n GLY 95 Ca -0.05 -2.61 0.06 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.37 0.30 -4.62 0.99 -0.00 -1.26 -3.90 117.00 108.14 2cuh n LEU 96 Ca 0.46 0.62 -0.52 0.00 -0.00 0.00 0.00 56.01 56.57 2cuh n LEU 96 Cb 0.36 -0.65 -0.06 0.00 -0.00 0.00 0.00 43.42 43.06 2cuh n LEU 96 CO 0.45 -0.73 1.03 1.21 -0.00 0.00 0.00 177.39 179.36 2cuh n GLU 97 N -1.91 1.32 -3.59 1.47 4.07 -1.26 -4.94 120.64 115.80 2cuh n GLU 97 Ca -0.01 0.48 -0.10 0.00 -0.06 0.00 0.00 57.16 57.47 2cuh n GLU 97 Cb 0.05 -2.15 -0.05 0.00 -0.06 0.00 0.00 31.44 29.23 2cuh n GLU 97 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2cuh s ALA 98 N 1.19 -1.95 -2.00 4.31 0.00 -1.26 -5.01 121.76 117.04 2cuh s ALA 98 Ca 0.86 1.63 0.13 0.00 0.00 0.00 0.00 51.96 54.59 2cuh s ALA 98 Cb -0.93 -0.84 0.80 0.00 0.00 0.00 0.00 23.12 22.15 2cuh s ALA 98 CO 0.49 -0.29 1.22 -0.35 0.00 0.00 0.00 175.76 176.83 2cuh n PRO 99 N 0.90 0.49 -4.57 0.00 -0.04 -1.26 -4.73 135.00 125.79 2cuh n PRO 99 Ca -0.10 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.09 2cuh n PRO 99 Cb 0.58 -1.43 -0.11 0.00 -0.04 0.00 0.00 33.50 32.50 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 -2.00 1.87 -0.08 0.54 1.70 -1.26 -5.11 118.95 114.60 2cuh s ARG 100 Ca 0.20 -2.01 -0.28 0.00 -0.47 0.00 0.00 55.73 53.17 2cuh s ARG 100 Cb 0.09 -1.61 -0.02 0.00 -0.57 0.00 0.00 34.95 32.84 2cuh s ARG 100 CO 0.16 0.03 0.91 0.16 -1.08 0.00 0.00 175.30 175.47 2cuh s ASP 101 N -3.64 7.17 -0.01 -2.89 1.47 -1.26 -4.98 116.67 112.52 2cuh s ASP 101 Ca 0.34 1.43 -0.12 0.00 1.18 0.00 0.00 52.55 55.38 2cuh s ASP 101 Cb 0.06 -2.51 -0.06 0.00 -0.34 0.00 0.00 42.92 40.07 2cuh s ASP 101 CO 0.17 -0.33 0.68 -0.07 0.68 0.00 0.00 175.17 176.30 2cuh h LEU 102 N 7.53 -0.35 0.00 2.11 -0.00 -1.93 -3.43 115.31 119.24 2cuh h LEU 102 Ca -0.35 0.01 -0.16 0.00 -0.00 0.00 0.00 57.88 57.38 2cuh h LEU 102 Cb 1.17 0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.90 2cuh h LEU 102 CO 0.80 -0.10 -1.60 1.21 -0.00 0.00 0.00 178.44 178.75 2cuh n GLU 103 N -3.95 0.26 -0.52 1.13 0.00 -1.26 -5.04 120.64 111.26 2cuh n GLU 103 Ca -0.05 0.06 -0.28 0.00 0.00 0.00 0.00 57.16 56.89 2cuh n GLU 103 Cb 0.17 -1.18 0.26 0.00 0.00 0.00 0.00 31.44 30.69 2cuh n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2cuh s ALA 104 N -2.21 -0.67 0.27 4.31 0.00 -1.26 -5.06 121.76 117.14 2cuh s ALA 104 Ca -0.14 -0.20 -0.20 0.00 0.00 0.00 0.00 51.96 51.42 2cuh s ALA 104 Cb 0.04 -3.22 0.05 0.00 0.00 0.00 0.00 23.12 19.98 2cuh s ALA 104 CO 0.24 -3.99 0.84 0.21 0.00 0.00 0.00 175.76 173.06 2cuh s LYS 105 N -4.46 1.73 -0.26 0.00 2.20 -1.26 -4.75 119.74 112.93 2cuh s LYS 105 Ca 0.69 -1.04 -0.05 0.00 -0.36 0.00 0.00 55.97 55.21 2cuh s LYS 105 Cb -0.25 0.53 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 2cuh s LYS 105 CO 0.65 -0.80 0.03 -1.83 -0.36 0.00 0.00 175.35 173.03 2cuh s GLU 106 N -3.01 3.17 -0.09 4.03 -1.05 -1.26 -5.08 118.70 115.41 2cuh s GLU 106 Ca 0.14 -0.79 -0.05 0.00 -0.15 0.00 0.00 54.97 54.13 2cuh s GLU 106 Cb -0.04 -3.21 0.04 0.00 -0.44 0.00 0.00 34.13 30.48 2cuh s GLU 106 CO 0.07 -0.35 0.22 0.08 0.95 0.00 0.00 175.26 176.23 2cuh s VAL 107 N 1.47 -0.04 0.00 1.83 1.01 -1.26 -5.16 120.40 118.26 2cuh s VAL 107 Ca 0.03 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.21 2cuh s VAL 107 Cb -0.16 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 2cuh s VAL 107 CO -0.00 0.06 -0.18 0.28 0.00 0.00 0.00 175.10 175.26 2cuh s THR 108 N 1.11 2.77 1.15 3.92 -1.32 -1.26 -5.14 115.64 116.87 2cuh s THR 108 Ca -0.08 -1.03 -0.19 0.00 -1.21 0.00 0.00 61.69 59.18 2cuh s THR 108 Cb -0.10 -2.11 0.29 0.00 -1.51 0.00 0.00 72.50 69.07 2cuh s THR 108 CO -0.07 0.45 1.02 -0.81 -2.21 0.00 0.00 174.62 173.01 2cuh n PRO 109 N 1.92 -3.01 -3.71 7.08 -0.04 -1.26 -5.09 135.00 130.89 2cuh n PRO 109 Ca -0.16 -1.64 -0.11 0.00 -0.04 0.00 0.00 63.50 61.55 2cuh n PRO 109 Cb 0.52 -1.53 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 2cuh n PRO 109 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cuh s SER 110 N -4.26 -0.45 -0.01 3.54 0.01 -1.26 -5.16 113.70 106.11 2cuh s SER 110 Ca 0.66 0.81 -0.01 0.00 1.31 0.00 0.00 55.95 58.72 2cuh s SER 110 Cb -0.07 0.71 -0.04 0.00 0.21 0.00 0.00 66.02 66.84 2cuh s SER 110 CO 0.51 -0.18 0.10 -0.83 0.41 0.00 0.00 173.24 173.25 2cuh s GLY 111 N 1.15 2.05 0.37 3.44 0.00 -1.26 -5.12 107.32 107.95 2cuh s GLY 111 Ca -0.08 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.73 2cuh s GLY 111 CO -0.10 -0.72 0.33 -1.55 0.00 0.00 0.00 173.10 171.06 2cuh n PRO 112 N 1.16 -1.65 -4.02 2.90 -0.04 -1.26 -5.10 135.00 126.99 2cuh n PRO 112 Ca -0.13 -0.53 -0.12 0.00 -0.04 0.00 0.00 63.50 62.69 2cuh n PRO 112 Cb 0.53 -0.49 -0.03 0.00 -0.04 0.00 0.00 33.50 33.46 2cuh n PRO 112 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cuh s SER 113 N -2.39 0.47 1.13 3.54 1.04 -1.26 -5.17 113.70 111.06 2cuh s SER 113 Ca 0.21 -1.27 -0.16 0.00 0.48 0.00 0.00 55.95 55.21 2cuh s SER 113 Cb -0.02 0.67 0.25 0.00 0.10 0.00 0.00 66.02 67.02 2cuh s SER 113 CO 0.16 -1.32 1.08 -0.94 0.98 0.00 0.00 173.24 173.21 2cuh s SER 114 N -3.15 1.47 0.00 7.02 1.04 -1.26 -5.38 113.70 113.45 2cuh s SER 114 Ca 0.26 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.64 2cuh s SER 114 Cb -0.01 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.67 2cuh s SER 114 CO 0.16 -3.82 0.00 0.61 0.98 0.00 0.00 173.24 171.17