#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 6.56 0.11 1.61 0.15 -1.26 -4.51 113.70 116.36 2cuh s SER 2 Ca 0.00 -1.89 -0.18 0.00 0.70 0.00 0.00 55.95 54.58 2cuh s SER 2 Cb 0.00 -2.40 -0.07 0.00 -1.71 0.00 0.00 66.02 61.84 2cuh s SER 2 CO 0.00 -1.12 0.58 -0.94 1.20 0.00 0.00 173.24 172.96 2cuh s SER 3 N 3.68 7.00 0.00 5.45 1.04 -1.26 -4.96 113.70 124.64 2cuh s SER 3 Ca 0.31 1.23 0.00 0.00 0.48 0.00 0.00 55.95 57.97 2cuh s SER 3 Cb -0.07 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2cuh s SER 3 CO -0.07 0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2cuh n GLY 4 N 1.32 4.27 0.17 7.32 0.00 -1.26 -4.10 105.19 112.91 2cuh n GLY 4 Ca -0.08 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 2cuh n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2cuh h SER 5 N 0.00 0.47 -2.58 1.61 0.02 -2.00 -3.34 113.55 107.73 2cuh h SER 5 Ca 0.00 -0.12 -0.60 0.00 -0.84 0.00 0.00 61.79 60.23 2cuh h SER 5 Cb 0.00 -0.12 -0.41 0.00 0.14 0.00 0.00 62.40 62.01 2cuh h SER 5 CO 0.00 0.45 -0.66 -1.20 -1.14 0.00 0.00 176.83 174.28 2cuh n SER 6 N -4.74 2.76 -1.48 3.07 7.64 -1.26 -5.06 113.62 114.56 2cuh n SER 6 Ca -0.01 -3.18 0.00 0.00 1.01 0.00 0.00 58.87 56.69 2cuh n SER 6 Cb 0.10 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 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 1.56 -4.21 0.00 0.23 0.00 -1.25 -4.98 105.19 96.53 2cuh n GLY 7 Ca 0.25 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.90 0.08 -0.48 1.61 -0.04 -1.26 -4.81 135.00 128.20 2cuh n PRO 8 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 2cuh n PRO 8 Cb 0.28 0.00 0.19 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.36 2.19 0.00 3.54 8.00 -1.26 -5.02 116.55 122.64 2cuh n ASP 9 Ca 0.00 -3.59 0.00 0.00 0.71 0.00 0.00 54.79 51.91 2cuh n ASP 9 Cb 0.00 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 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 -1.16 5.52 3.68 0.44 0.00 -1.26 -4.80 105.19 107.59 2cuh n GLY 10 Ca 0.21 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 1.41 4.24 0.43 1.61 0.04 -1.26 -4.39 135.00 137.07 2cuh s PRO 11 Ca 0.00 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.09 2cuh s PRO 11 Cb 0.00 -3.73 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 2cuh s PRO 11 CO 0.00 -0.69 0.08 0.95 0.04 0.00 0.00 177.00 177.38 2cuh s THR 12 N 3.08 0.87 -1.37 1.26 -4.23 -1.25 -4.64 115.64 109.37 2cuh s THR 12 Ca 0.66 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.08 2cuh s THR 12 Cb -0.31 -2.36 0.07 0.00 1.34 0.00 0.00 72.50 71.24 2cuh s THR 12 CO 0.26 0.00 0.57 0.00 -0.54 0.00 0.00 174.62 174.91 2cuh n GLN 13 N -1.00 -3.81 -1.59 3.99 6.02 -1.26 -2.82 117.38 116.91 2cuh n GLN 13 Ca -0.10 0.54 -0.45 0.00 -0.01 0.00 0.00 57.00 56.99 2cuh n GLN 13 Cb 0.66 -5.29 -0.04 0.00 1.02 0.00 0.00 30.24 26.59 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 -3.90 3.21 -4.57 1.08 7.94 -1.26 -4.74 117.00 114.76 2cuh n LEU 14 Ca -0.02 0.41 -0.29 0.00 -1.11 0.00 0.00 56.01 55.00 2cuh n LEU 14 Cb 0.55 -1.48 -0.10 0.00 0.53 0.00 0.00 43.42 42.92 2cuh n LEU 14 CO 0.55 -0.51 -0.42 -0.13 -1.11 0.00 0.00 177.39 175.76 2cuh s ARG 15 N 5.87 2.07 -0.38 1.96 0.52 -1.03 -4.96 118.95 122.98 2cuh s ARG 15 Ca 1.00 -1.12 -0.24 0.00 -0.52 0.00 0.00 55.73 54.85 2cuh s ARG 15 Cb -0.47 -2.24 0.01 0.00 0.52 0.00 0.00 34.95 32.78 2cuh s ARG 15 CO 0.40 0.48 0.82 0.00 0.02 0.00 0.00 175.30 177.02 2cuh s ALA 16 N -1.37 3.39 0.69 2.13 0.00 -1.26 -3.58 121.76 121.76 2cuh s ALA 16 Ca 0.22 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.38 2cuh s ALA 16 Cb -0.10 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.60 2cuh s ALA 16 CO 0.14 -1.61 1.08 -1.17 0.00 0.00 0.00 175.76 174.20 2cuh s LEU 17 N 3.24 3.23 -0.09 0.00 2.96 -1.26 -4.96 118.68 121.79 2cuh s LEU 17 Ca 0.33 1.80 -0.30 0.00 -0.22 0.00 0.00 54.13 55.74 2cuh s LEU 17 Cb -0.13 -4.52 -0.04 0.00 0.50 0.00 0.00 46.19 42.01 2cuh s LEU 17 CO 0.19 -1.61 1.41 0.54 -1.32 0.00 0.00 176.35 175.56 2cuh s ASN 18 N -3.22 6.84 0.68 3.68 2.20 -1.26 -4.79 114.94 119.07 2cuh s ASN 18 Ca 0.62 1.95 -0.16 0.00 -0.94 0.00 0.00 52.86 54.33 2cuh s ASN 18 Cb -0.17 -2.54 0.01 0.00 -2.00 0.00 0.00 41.25 36.55 2cuh s ASN 18 CO 0.49 -0.80 1.22 -0.76 -2.94 0.00 0.00 177.10 174.31 2cuh s LEU 19 N 3.42 3.45 -0.61 3.54 1.02 -1.26 -4.99 118.68 123.25 2cuh s LEU 19 Ca 0.63 2.40 0.04 0.00 0.02 0.00 0.00 54.13 57.22 2cuh s LEU 19 Cb -0.27 -4.60 0.15 0.00 0.02 0.00 0.00 46.19 41.49 2cuh s LEU 19 CO 0.22 -2.04 0.39 0.28 0.02 0.00 0.00 176.35 175.22 2cuh s THR 20 N -1.79 2.56 -0.76 5.49 -1.32 -1.23 -4.80 115.64 113.78 2cuh s THR 20 Ca 0.76 -3.74 -0.00 0.00 -1.21 0.00 0.00 61.69 57.50 2cuh s THR 20 Cb -0.31 -2.73 -0.01 0.00 -1.51 0.00 0.00 72.50 67.95 2cuh s THR 20 CO 0.41 -0.93 0.64 -0.62 -2.21 0.00 0.00 174.62 171.91 2cuh n GLU 21 N 2.53 -3.96 -1.82 7.08 1.02 -1.26 -4.12 120.64 120.11 2cuh n GLU 21 Ca 0.14 0.55 -0.01 0.00 -0.02 0.00 0.00 57.16 57.83 2cuh n GLU 21 Cb 0.34 -4.63 0.00 0.00 -0.02 0.00 0.00 31.44 27.13 2cuh n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cuh n GLY 22 N -1.11 0.61 2.61 0.62 0.00 -1.26 -5.07 105.19 101.59 2cuh n GLY 22 Ca -0.17 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.01 0.33 -0.32 1.61 5.36 -1.26 -4.96 117.98 115.74 2cuh s PHE 23 Ca 0.01 -0.51 -0.12 0.00 -0.96 0.00 0.00 56.93 55.34 2cuh s PHE 23 Cb -0.00 -0.79 -0.03 0.00 -0.34 0.00 0.00 43.02 41.86 2cuh s PHE 23 CO 0.03 -0.59 0.22 0.00 -1.46 0.00 0.00 175.22 173.41 2cuh s ALA 24 N 2.09 3.50 0.13 11.12 0.00 -1.24 -3.56 121.76 133.80 2cuh s ALA 24 Ca 0.03 -1.29 0.08 0.00 0.00 0.00 0.00 51.96 50.78 2cuh s ALA 24 Cb -0.16 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 2cuh s ALA 24 CO -0.15 -0.83 -0.18 0.14 0.00 0.00 0.00 175.76 174.74 2cuh s VAL 25 N 1.73 1.63 0.15 0.00 -7.23 -1.26 0.68 120.40 116.10 2cuh s VAL 25 Ca 0.06 -1.70 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 2cuh s VAL 25 Cb -0.17 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 2cuh s VAL 25 CO 0.10 -0.24 0.37 -0.76 -0.31 0.00 0.00 175.10 174.26 2cuh s LEU 26 N -2.28 4.26 -0.06 1.32 1.43 -1.11 -4.06 118.68 118.18 2cuh s LEU 26 Ca 0.10 0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 53.69 2cuh s LEU 26 Cb -0.07 -3.24 0.03 0.00 0.03 0.00 0.00 46.19 42.93 2cuh s LEU 26 CO 0.05 0.04 0.03 -1.00 0.23 0.00 0.00 176.35 175.69 2cuh s HIS 27 N -1.70 0.38 0.12 0.29 3.76 -1.23 -3.44 115.29 113.46 2cuh s HIS 27 Ca 0.40 0.03 0.06 0.00 -0.15 0.00 0.00 55.06 55.40 2cuh s HIS 27 Cb -0.12 -0.64 -0.04 0.00 1.11 0.00 0.00 32.58 32.89 2cuh s HIS 27 CO 0.26 -0.26 -0.14 1.67 -0.85 0.00 0.00 174.74 175.42 2cuh s TRP 28 N 2.03 1.41 -0.20 1.40 -2.14 -1.24 -2.47 118.94 117.74 2cuh s TRP 28 Ca 0.05 -0.54 -0.16 0.00 2.66 0.00 0.00 56.10 58.10 2cuh s TRP 28 Cb -0.12 -0.74 -0.04 0.00 -3.10 0.00 0.00 33.47 29.47 2cuh s TRP 28 CO -0.04 0.14 0.40 0.21 -2.66 0.00 0.00 176.95 175.00 2cuh s LYS 29 N -2.59 4.19 -0.30 3.25 2.20 -1.13 -4.87 119.74 120.49 2cuh s LYS 29 Ca 0.08 0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.62 2cuh s LYS 29 Cb -0.05 -3.53 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 2cuh s LYS 29 CO 0.03 -0.02 1.67 -1.25 -0.36 0.00 0.00 175.35 175.42 2cuh s PRO 30 N 1.24 3.56 0.96 4.03 0.04 -1.26 -3.80 135.00 139.77 2cuh s PRO 30 Ca 0.19 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.56 2cuh s PRO 30 Cb -0.15 -4.11 0.17 0.00 0.04 0.00 0.00 34.50 30.45 2cuh s PRO 30 CO 0.08 -1.59 1.09 -1.25 0.04 0.00 0.00 177.00 175.38 2cuh s PRO 31 N 5.15 0.74 0.19 0.56 0.04 -1.26 -4.94 135.00 135.47 2cuh s PRO 31 Ca 0.74 0.64 -0.17 0.00 0.04 0.00 0.00 61.00 62.24 2cuh s PRO 31 Cb -0.22 -1.76 0.15 0.00 0.04 0.00 0.00 34.50 32.70 2cuh s PRO 31 CO 0.32 -2.55 1.63 0.37 0.04 0.00 0.00 177.00 176.80 2cuh h GLN 32 N -1.77 -0.07 -6.39 4.56 4.15 -1.95 -3.37 115.11 110.27 2cuh h GLN 32 Ca -0.53 0.01 -0.57 0.00 0.77 0.00 0.00 58.65 58.33 2cuh h GLN 32 Cb 1.31 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.98 2cuh h GLN 32 CO 0.56 -0.05 1.12 0.54 -1.93 0.00 0.00 178.83 179.07 2cuh s ASN 33 N -5.18 6.28 -0.25 -0.69 2.20 -1.26 -4.95 114.94 111.10 2cuh s ASN 33 Ca -0.14 1.18 -0.29 0.00 -0.94 0.00 0.00 52.86 52.67 2cuh s ASN 33 Cb 0.16 -2.53 -0.02 0.00 -2.00 0.00 0.00 41.25 36.86 2cuh s ASN 33 CO 0.71 -1.41 1.63 -2.16 -2.94 0.00 0.00 177.10 172.93 2cuh s PRO 34 N 4.94 3.72 1.10 3.55 0.04 -1.26 -4.93 135.00 142.17 2cuh s PRO 34 Ca 0.67 1.59 -0.19 0.00 0.04 0.00 0.00 61.00 63.12 2cuh s PRO 34 Cb -0.19 -4.06 0.26 0.00 0.04 0.00 0.00 34.50 30.56 2cuh s PRO 34 CO 0.31 -1.38 1.26 0.14 0.04 0.00 0.00 177.00 177.36 2cuh s VAL 35 N 5.43 1.80 -0.12 -0.36 -7.23 -1.26 -5.04 120.40 113.63 2cuh s VAL 35 Ca 0.72 0.00 -0.10 0.00 -1.81 0.00 0.00 61.98 60.79 2cuh s VAL 35 Cb -0.24 -2.79 -0.05 0.00 0.56 0.00 0.00 36.38 33.86 2cuh s VAL 35 CO 0.30 0.00 -0.22 0.47 -0.31 0.00 0.00 175.10 175.34 2cuh n ASP 36 N -4.28 1.47 -3.84 4.85 9.92 -1.06 -4.44 116.55 119.16 2cuh n ASP 36 Ca 0.16 0.24 -0.12 0.00 -0.53 0.00 0.00 54.79 54.54 2cuh n ASP 36 Cb 0.59 -0.56 -0.13 0.00 -0.64 0.00 0.00 41.12 40.38 2cuh n ASP 36 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2cuh s THR 37 N -2.47 -0.00 -0.16 -3.53 -4.23 -1.25 0.49 115.64 104.48 2cuh s THR 37 Ca -0.21 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.17 2cuh s THR 37 Cb 0.05 -0.13 -0.05 0.00 1.34 0.00 0.00 72.50 73.72 2cuh s THR 37 CO 0.28 0.00 0.30 -0.31 -0.54 0.00 0.00 174.62 174.36 2cuh s TYR 38 N 0.07 3.46 -0.53 3.99 2.02 0.88 0.49 117.35 127.73 2cuh s TYR 38 Ca -0.00 0.60 -0.18 0.00 -0.37 0.00 0.00 57.07 57.11 2cuh s TYR 38 Cb -0.01 -2.35 0.08 0.00 -0.40 0.00 0.00 41.96 39.28 2cuh s TYR 38 CO -0.00 0.22 0.60 0.34 -1.57 0.00 0.00 175.55 175.14 2cuh s ASP 39 N 0.51 6.19 -0.16 2.29 2.15 -0.92 -2.92 116.67 123.81 2cuh s ASP 39 Ca 0.17 -1.25 -0.10 0.00 0.43 0.00 0.00 52.55 51.80 2cuh s ASP 39 Cb -0.13 -2.27 -0.05 0.00 -0.30 0.00 0.00 42.92 40.17 2cuh s ASP 39 CO 0.04 -0.92 0.18 -0.63 -0.17 0.00 0.00 175.17 173.67 2cuh s ILE 40 N 2.38 5.39 -0.13 4.11 1.09 -0.94 -1.56 121.20 131.55 2cuh s ILE 40 Ca 0.11 0.30 -0.01 0.00 -1.10 0.00 0.00 60.65 59.95 2cuh s ILE 40 Cb -0.23 -3.50 0.04 0.00 -1.06 0.00 0.00 42.46 37.71 2cuh s ILE 40 CO 0.08 0.48 -0.02 -1.58 -0.10 0.00 0.00 174.94 173.80 2cuh s GLN 41 N -0.00 1.03 -0.13 2.79 0.74 0.67 -2.96 119.66 121.80 2cuh s GLN 41 Ca 0.12 -0.22 -0.02 0.00 0.05 0.00 0.00 55.36 55.29 2cuh s GLN 41 Cb -0.12 -1.57 -0.03 0.00 1.10 0.00 0.00 33.01 32.39 2cuh s GLN 41 CO 0.01 -0.39 -0.06 0.08 -0.55 0.00 0.00 175.29 174.39 2cuh s VAL 42 N 1.81 3.73 0.25 1.34 1.01 -0.88 -0.51 120.40 127.14 2cuh s VAL 42 Ca 0.03 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 2cuh s VAL 42 Cb -0.14 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2cuh s VAL 42 CO -0.07 0.52 0.28 0.42 0.00 0.00 0.00 175.10 176.25 2cuh s THR 43 N 0.08 0.00 -0.16 3.92 -4.23 -0.70 -1.62 115.64 112.94 2cuh s THR 43 Ca -0.02 -1.81 -0.30 0.00 -1.18 0.00 0.00 61.69 58.39 2cuh s THR 43 Cb -0.14 -2.45 0.13 0.00 1.34 0.00 0.00 72.50 71.39 2cuh s THR 43 CO 0.03 0.00 1.01 0.00 -0.54 0.00 0.00 174.62 175.12 2cuh s ALA 44 N -3.90 -1.94 -1.13 3.99 0.00 -1.26 -2.14 121.76 115.38 2cuh s ALA 44 Ca 0.34 1.58 -0.23 0.00 0.00 0.00 0.00 51.96 53.65 2cuh s ALA 44 Cb 0.04 -0.70 -0.08 0.00 0.00 0.00 0.00 23.12 22.38 2cuh s ALA 44 CO 0.14 -0.32 1.94 -1.25 0.00 0.00 0.00 175.76 176.27 2cuh s PRO 45 N -1.20 2.51 0.00 0.00 0.04 -1.26 -2.30 135.00 132.78 2cuh s PRO 45 Ca -0.01 -0.99 0.00 0.00 0.04 0.00 0.00 61.00 60.04 2cuh s PRO 45 Cb -0.00 -5.21 0.00 0.00 0.04 0.00 0.00 34.50 29.33 2cuh s PRO 45 CO 0.01 -3.86 0.00 0.41 0.04 0.00 0.00 177.00 173.59 2cuh n GLY 46 N 6.02 1.75 3.94 0.56 0.00 -1.26 -5.12 105.19 111.08 2cuh n GLY 46 Ca 0.44 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.48 3.90 0.55 4.61 0.00 -0.97 -5.09 121.76 123.27 2cuh s ALA 47 Ca 0.00 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 2cuh s ALA 47 Cb 0.00 -1.89 -0.06 0.00 0.00 0.00 0.00 23.12 21.18 2cuh s ALA 47 CO 0.00 0.50 1.13 -1.25 0.00 0.00 0.00 175.76 176.13 2cuh s PRO 48 N -3.26 3.34 0.52 0.00 0.04 -1.26 -4.31 135.00 130.07 2cuh s PRO 48 Ca 0.36 1.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.80 2cuh s PRO 48 Cb -0.11 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 2cuh s PRO 48 CO 0.29 -0.86 1.14 -1.25 0.04 0.00 0.00 177.00 176.36 2cuh s PRO 49 N -3.31 3.49 -0.04 0.56 0.04 -1.26 -4.74 135.00 129.74 2cuh s PRO 49 Ca 0.73 1.66 0.02 0.00 0.04 0.00 0.00 61.00 63.45 2cuh s PRO 49 Cb -0.24 -2.14 0.01 0.00 0.04 0.00 0.00 34.50 32.18 2cuh s PRO 49 CO 0.27 -0.75 -0.07 -1.17 0.04 0.00 0.00 177.00 175.33 2cuh s LEU 50 N -3.54 1.56 -0.04 -3.56 2.96 -0.64 -5.04 118.68 110.37 2cuh s LEU 50 Ca 0.70 -0.16 0.05 0.00 -0.22 0.00 0.00 54.13 54.49 2cuh s LEU 50 Cb -0.25 -0.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.93 2cuh s LEU 50 CO 0.29 0.00 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.56 2cuh s GLN 51 N 0.58 1.89 -0.12 1.98 -0.44 -1.26 -2.08 119.66 120.22 2cuh s GLN 51 Ca -0.09 -0.66 -0.22 0.00 -2.50 0.00 0.00 55.36 51.90 2cuh s GLN 51 Cb -0.12 -1.65 0.05 0.00 -1.64 0.00 0.00 33.01 29.66 2cuh s GLN 51 CO 0.01 0.28 0.54 0.00 0.50 0.00 0.00 175.29 176.61 2cuh s ALA 52 N -0.03 -1.36 0.24 1.58 0.00 -1.16 -5.08 121.76 115.96 2cuh s ALA 52 Ca -0.03 1.22 0.08 0.00 0.00 0.00 0.00 51.96 53.23 2cuh s ALA 52 Cb -0.12 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 2cuh s ALA 52 CO 0.02 -0.29 -0.13 -2.00 0.00 0.00 0.00 175.76 173.35 2cuh s GLU 53 N -0.50 1.45 -0.22 0.00 2.56 -1.26 -2.23 118.70 118.50 2cuh s GLU 53 Ca -0.06 -1.67 -0.20 0.00 0.00 0.00 0.00 54.97 53.04 2cuh s GLU 53 Cb -0.03 -1.26 0.06 0.00 2.00 0.00 0.00 34.13 34.90 2cuh s GLU 53 CO 0.04 0.18 0.58 -0.08 -0.56 0.00 0.00 175.26 175.43 2cuh s THR 54 N -2.89 -0.00 0.59 -1.70 -1.32 -1.15 -4.98 115.64 104.19 2cuh s THR 54 Ca 0.25 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.56 2cuh s THR 54 Cb -0.00 -0.81 -0.04 0.00 -1.51 0.00 0.00 72.50 70.14 2cuh s THR 54 CO 0.10 0.00 1.12 -2.16 -2.21 0.00 0.00 174.62 171.47 2cuh s PRO 55 N 0.32 3.14 0.28 7.08 0.04 -1.26 -0.08 135.00 144.51 2cuh s PRO 55 Ca -0.00 1.53 -0.01 0.00 0.04 0.00 0.00 61.00 62.55 2cuh s PRO 55 Cb -0.04 -1.98 0.62 0.00 0.04 0.00 0.00 34.50 33.14 2cuh s PRO 55 CO 0.01 -1.01 1.63 0.78 0.04 0.00 0.00 177.00 178.45 2cuh h GLY 56 N 0.74 1.16 -1.09 0.56 0.00 -0.18 0.30 103.07 104.55 2cuh h GLY 56 Ca -0.49 0.05 0.32 0.00 0.00 0.00 0.00 47.33 47.21 2cuh h GLY 56 CO 0.56 -0.36 1.21 -1.14 0.00 0.00 0.00 176.54 176.80 2cuh n SER 57 N -5.31 0.00 -4.85 0.19 3.41 -1.26 -4.22 113.62 101.58 2cuh n SER 57 Ca 0.19 0.76 -0.36 0.00 -0.26 0.00 0.00 58.87 59.20 2cuh n SER 57 Cb 0.62 -0.27 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 2cuh n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cuh s ALA 58 N -4.41 3.68 -0.08 7.33 0.00 0.10 -4.99 121.76 123.41 2cuh s ALA 58 Ca -0.03 -0.28 0.11 0.00 0.00 0.00 0.00 51.96 51.76 2cuh s ALA 58 Cb 0.15 -2.36 0.17 0.00 0.00 0.00 0.00 23.12 21.08 2cuh s ALA 58 CO 0.49 0.52 1.07 1.33 0.00 0.00 0.00 175.76 179.17 2cuh n VAL 59 N 1.08 1.36 -3.60 0.00 0.24 -1.26 -4.91 118.33 111.25 2cuh n VAL 59 Ca -0.09 -1.59 -0.08 0.00 -2.04 0.00 0.00 64.34 60.54 2cuh n VAL 59 Cb 0.52 0.08 -0.05 0.00 -1.47 0.00 0.00 33.84 32.92 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 -2.09 -0.29 -0.21 -1.34 1.47 -1.26 -3.65 116.67 109.30 2cuh s ASP 60 Ca 0.19 0.33 -0.05 0.00 1.18 0.00 0.00 52.55 54.21 2cuh s ASP 60 Cb 0.17 0.26 0.07 0.00 -0.34 0.00 0.00 42.92 43.08 2cuh s ASP 60 CO 0.02 -0.26 0.10 -0.47 0.68 0.00 0.00 175.17 175.24 2cuh s TYR 61 N -1.01 0.25 -0.03 2.11 6.14 -1.22 -4.99 117.35 118.59 2cuh s TYR 61 Ca 0.01 -0.49 -0.30 0.00 0.64 0.00 0.00 57.07 56.93 2cuh s TYR 61 Cb -0.01 -0.76 -0.05 0.00 0.42 0.00 0.00 41.96 41.56 2cuh s TYR 61 CO -0.01 -0.61 1.48 -1.25 0.64 0.00 0.00 175.55 175.80 2cuh s PRO 62 N 2.12 4.24 -0.38 4.97 0.04 -1.26 -2.76 135.00 141.96 2cuh s PRO 62 Ca 0.04 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.94 2cuh s PRO 62 Cb -0.16 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.66 2cuh s PRO 62 CO -0.17 -0.69 0.36 -0.51 0.04 0.00 0.00 177.00 176.03 2cuh s LEU 63 N 3.06 4.73 0.38 -3.56 1.43 0.21 -4.94 118.68 119.99 2cuh s LEU 63 Ca 0.66 -0.54 0.08 0.00 -1.03 0.00 0.00 54.13 53.30 2cuh s LEU 63 Cb -0.31 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 2cuh s LEU 63 CO 0.26 -0.43 0.30 -1.38 0.23 0.00 0.00 176.35 175.33 2cuh s HIS 64 N 1.95 2.75 -0.58 0.29 -3.43 -1.26 -3.71 115.29 111.29 2cuh s HIS 64 Ca 0.10 -0.44 -0.02 0.00 -0.80 0.00 0.00 55.06 53.90 2cuh s HIS 64 Cb -0.17 -1.97 0.00 0.00 -1.43 0.00 0.00 32.58 29.01 2cuh s HIS 64 CO 0.12 0.06 0.50 -3.47 -2.00 0.00 0.00 174.74 169.95 2cuh n ASP 65 N -1.41 -3.14 -4.50 7.38 2.03 -1.26 -5.04 116.55 110.61 2cuh n ASP 65 Ca 0.01 -0.26 -0.33 0.00 0.52 0.00 0.00 54.79 54.72 2cuh n ASP 65 Cb 0.61 -2.57 -0.12 0.00 -0.72 0.00 0.00 41.12 38.32 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 -3.91 2.95 0.23 -2.67 1.43 -1.26 -5.09 118.68 110.36 2cuh s LEU 66 Ca 0.15 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.81 2cuh s LEU 66 Cb -0.07 -1.64 -0.10 0.00 0.03 0.00 0.00 46.19 44.42 2cuh s LEU 66 CO 0.33 0.31 1.41 -0.69 0.23 0.00 0.00 176.35 177.94 2cuh s VAL 67 N -0.49 2.81 0.76 -1.59 1.01 -1.26 -4.94 120.40 116.70 2cuh s VAL 67 Ca 0.07 0.67 -0.11 0.00 0.00 0.00 0.00 61.98 62.61 2cuh s VAL 67 Cb -0.12 -3.43 0.04 0.00 0.00 0.00 0.00 36.38 32.88 2cuh s VAL 67 CO 0.02 0.10 1.08 -0.76 0.00 0.00 0.00 175.10 175.54 2cuh s LEU 68 N -0.22 2.81 -1.52 3.92 2.01 -1.26 -3.87 118.68 120.55 2cuh s LEU 68 Ca 0.59 1.43 -0.10 0.00 0.01 0.00 0.00 54.13 56.05 2cuh s LEU 68 Cb -0.40 -4.15 0.08 0.00 0.01 0.00 0.00 46.19 41.73 2cuh s LEU 68 CO 0.41 -1.76 0.77 1.41 1.01 0.00 0.00 176.35 178.20 2cuh n HIS 69 N -3.31 -1.96 -3.72 0.29 8.25 -1.10 -4.96 115.22 108.72 2cuh n HIS 69 Ca 0.07 0.83 -0.14 0.00 -0.26 0.00 0.00 57.72 58.23 2cuh n HIS 69 Cb 0.55 -3.70 -0.14 0.00 1.12 0.00 0.00 29.99 27.82 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 -3.49 -0.12 -0.69 1.59 2.01 -1.25 -5.05 115.64 108.64 2cuh s THR 70 Ca 0.46 0.21 -0.26 0.00 0.31 0.00 0.00 61.69 62.40 2cuh s THR 70 Cb -0.24 -0.32 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 2cuh s THR 70 CO 0.87 0.08 1.76 0.20 -0.69 0.00 0.00 174.62 176.84 2cuh s ASN 71 N 1.50 5.45 -0.25 3.53 0.01 -1.26 -4.17 114.94 119.76 2cuh s ASN 71 Ca -0.06 -0.01 -0.17 0.00 -0.71 0.00 0.00 52.86 51.91 2cuh s ASN 71 Cb -0.11 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 38.97 2cuh s ASN 71 CO -0.07 -2.31 0.45 -0.31 -1.51 0.00 0.00 177.10 173.35 2cuh s TYR 72 N 8.50 3.29 -0.23 2.20 2.02 -1.25 -4.72 117.35 127.16 2cuh s TYR 72 Ca 0.61 0.58 -0.15 0.00 -0.37 0.00 0.00 57.07 57.74 2cuh s TYR 72 Cb -0.10 -2.63 -0.04 0.00 -0.40 0.00 0.00 41.96 38.78 2cuh s TYR 72 CO 0.15 -0.20 0.37 0.99 -1.57 0.00 0.00 175.55 175.29 2cuh s THR 73 N 1.99 5.21 0.16 -0.71 2.01 -0.91 -4.01 115.64 119.38 2cuh s THR 73 Ca 0.19 0.61 0.08 0.00 0.31 0.00 0.00 61.69 62.88 2cuh s THR 73 Cb -0.15 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2cuh s THR 73 CO 0.09 0.23 -0.05 0.00 -0.69 0.00 0.00 174.62 174.20 2cuh s ALA 74 N 1.55 3.09 -0.10 7.40 0.00 -1.24 -1.72 121.76 130.75 2cuh s ALA 74 Ca 0.17 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 2cuh s ALA 74 Cb -0.15 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 22.09 2cuh s ALA 74 CO 0.08 0.52 0.04 0.99 0.00 0.00 0.00 175.76 177.40 2cuh s THR 75 N -1.60 0.14 -0.03 0.00 2.01 0.34 -3.09 115.64 113.41 2cuh s THR 75 Ca 0.25 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.34 2cuh s THR 75 Cb -0.10 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.90 2cuh s THR 75 CO 0.17 0.06 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.43 2cuh s VAL 76 N 2.06 3.90 0.35 3.82 1.01 0.09 -0.23 120.40 131.39 2cuh s VAL 76 Ca 0.04 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.52 2cuh s VAL 76 Cb -0.14 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 2cuh s VAL 76 CO -0.06 0.48 0.27 -0.13 0.00 0.00 0.00 175.10 175.66 2cuh s ARG 77 N -1.20 1.82 -0.07 2.72 0.52 -0.60 -0.36 118.95 121.77 2cuh s ARG 77 Ca 0.16 -2.07 0.02 0.00 -0.52 0.00 0.00 55.73 53.32 2cuh s ARG 77 Cb -0.11 0.21 0.02 0.00 0.52 0.00 0.00 34.95 35.58 2cuh s ARG 77 CO 0.06 -0.65 -0.11 0.20 0.02 0.00 0.00 175.30 174.82 2cuh s GLY 78 N -3.42 0.75 -0.87 -3.53 0.00 -1.26 -2.17 107.32 96.82 2cuh s GLY 78 Ca 0.38 -0.38 -0.20 0.00 0.00 0.00 0.00 44.72 44.51 2cuh s GLY 78 CO 0.27 0.24 1.14 1.08 0.00 0.00 0.00 173.10 175.83 2cuh s LEU 79 N 0.82 4.63 -0.48 0.66 2.01 0.18 0.48 118.68 126.98 2cuh s LEU 79 Ca -0.12 -1.67 -0.03 0.00 0.01 0.00 0.00 54.13 52.32 2cuh s LEU 79 Cb -0.15 -2.43 0.13 0.00 0.01 0.00 0.00 46.19 43.74 2cuh s LEU 79 CO 0.02 -1.24 0.28 -0.13 1.01 0.00 0.00 176.35 176.29 2cuh s ARG 80 N 3.42 2.18 4.16 1.70 0.52 -0.55 -2.57 118.95 127.80 2cuh s ARG 80 Ca 0.32 -2.04 0.00 0.00 -0.52 0.00 0.00 55.73 53.49 2cuh s ARG 80 Cb -0.07 -3.63 0.00 0.00 0.52 0.00 0.00 34.95 31.76 2cuh s ARG 80 CO -0.04 -1.11 0.00 0.41 0.02 0.00 0.00 175.30 174.58 2cuh n GLY 81 N 4.26 1.08 0.00 -3.53 0.00 -1.26 -2.44 105.19 103.30 2cuh n GLY 81 Ca 0.01 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.41 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 2.87 0.49 -4.40 1.61 -0.04 -1.26 -4.74 135.00 129.53 2cuh n PRO 82 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 2cuh n PRO 82 Cb 0.00 -1.35 -0.09 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.85 1.98 0.32 3.54 0.01 -1.02 -5.18 114.94 112.75 2cuh s ASN 83 Ca 0.16 -1.57 0.07 0.00 -0.71 0.00 0.00 52.86 50.81 2cuh s ASN 83 Cb 0.07 0.36 -0.06 0.00 0.41 0.00 0.00 41.25 42.03 2cuh s ASN 83 CO 0.12 -0.87 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.04 2cuh s LEU 84 N -3.45 2.59 0.85 0.60 1.02 -1.26 -1.48 118.68 117.55 2cuh s LEU 84 Ca 0.33 -1.24 -0.08 0.00 0.02 0.00 0.00 54.13 53.15 2cuh s LEU 84 Cb 0.05 -0.77 0.17 0.00 0.02 0.00 0.00 46.19 45.66 2cuh s LEU 84 CO 0.17 -0.34 1.16 0.42 0.02 0.00 0.00 176.35 177.78 2cuh s THR 85 N -2.87 2.05 0.19 5.49 -4.23 0.18 -4.85 115.64 111.60 2cuh s THR 85 Ca 0.32 -0.31 -0.31 0.00 -1.18 0.00 0.00 61.69 60.21 2cuh s THR 85 Cb 0.05 -2.74 -0.09 0.00 1.34 0.00 0.00 72.50 71.06 2cuh s THR 85 CO 0.15 0.00 1.45 -0.44 -0.54 0.00 0.00 174.62 175.23 2cuh s SER 86 N -4.83 6.71 0.25 3.99 0.01 -1.26 -4.38 113.70 114.18 2cuh s SER 86 Ca 0.71 2.54 -0.30 0.00 1.31 0.00 0.00 55.95 60.21 2cuh s SER 86 Cb -0.04 -2.61 -0.09 0.00 0.21 0.00 0.00 66.02 63.49 2cuh s SER 86 CO 0.49 -0.70 1.26 -2.16 0.41 0.00 0.00 173.24 172.54 2cuh s PRO 87 N 0.39 4.43 -0.18 12.44 0.04 -1.26 -4.55 135.00 146.31 2cuh s PRO 87 Ca 0.63 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.72 2cuh s PRO 87 Cb -0.41 -3.16 0.04 0.00 0.04 0.00 0.00 34.50 31.02 2cuh s PRO 87 CO 0.36 -0.14 -0.09 0.00 0.04 0.00 0.00 177.00 177.17 2cuh s ALA 88 N -0.52 1.82 0.12 8.56 0.00 0.51 -4.60 121.76 127.65 2cuh s ALA 88 Ca 0.52 -1.05 0.10 0.00 0.00 0.00 0.00 51.96 51.53 2cuh s ALA 88 Cb -0.36 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 2cuh s ALA 88 CO 0.43 -0.75 -0.21 0.45 0.00 0.00 0.00 175.76 175.69 2cuh s SER 89 N 1.48 3.69 -0.02 0.00 0.15 -1.26 -0.73 113.70 117.02 2cuh s SER 89 Ca 0.00 -0.61 -0.09 0.00 0.70 0.00 0.00 55.95 55.95 2cuh s SER 89 Cb -0.15 -0.44 0.01 0.00 -1.71 0.00 0.00 66.02 63.72 2cuh s SER 89 CO -0.08 0.18 0.18 -0.51 1.20 0.00 0.00 173.24 174.21 2cuh s ILE 90 N -1.10 0.06 -0.29 6.45 2.07 -1.18 -5.01 121.20 122.20 2cuh s ILE 90 Ca 0.16 -0.51 -0.10 0.00 -1.41 0.00 0.00 60.65 58.79 2cuh s ILE 90 Cb -0.10 -0.44 -0.03 0.00 0.13 0.00 0.00 42.46 42.01 2cuh s ILE 90 CO 0.08 -0.28 0.17 -0.89 -1.91 0.00 0.00 174.94 172.11 2cuh s THR 91 N -1.08 4.99 -0.02 4.00 2.01 -1.26 -3.58 115.64 120.70 2cuh s THR 91 Ca -0.12 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2cuh s THR 91 Cb -0.06 -3.43 0.01 0.00 0.01 0.00 0.00 72.50 69.03 2cuh s THR 91 CO 0.02 0.19 -0.03 0.72 -0.69 0.00 0.00 174.62 174.83 2cuh s PHE 92 N 1.70 0.48 -0.00 4.92 -0.12 -1.26 -5.03 117.98 118.68 2cuh s PHE 92 Ca 0.06 -0.09 -0.25 0.00 -0.05 0.00 0.00 56.93 56.60 2cuh s PHE 92 Cb -0.16 -0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 41.76 2cuh s PHE 92 CO 0.09 -0.10 0.78 0.99 -0.05 0.00 0.00 175.22 176.93 2cuh s THR 93 N 0.53 4.86 0.28 -4.49 2.01 -1.26 -3.93 115.64 113.64 2cuh s THR 93 Ca -0.06 1.65 -0.11 0.00 0.31 0.00 0.00 61.69 63.48 2cuh s THR 93 Cb -0.09 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.22 2cuh s THR 93 CO -0.01 0.29 0.63 0.42 -0.69 0.00 0.00 174.62 175.26 2cuh s THR 94 N 0.44 4.86 -0.20 -0.82 -4.23 -1.26 -4.63 115.64 109.79 2cuh s THR 94 Ca 0.41 0.57 -0.15 0.00 -1.18 0.00 0.00 61.69 61.34 2cuh s THR 94 Cb -0.20 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 70.02 2cuh s THR 94 CO 0.22 -0.19 0.27 0.61 -0.54 0.00 0.00 174.62 174.99 2cuh n GLY 95 N -0.44 -0.31 2.50 3.99 0.00 -1.26 -2.70 105.19 106.98 2cuh n GLY 95 Ca 0.01 0.51 -0.38 0.00 0.00 0.00 0.00 46.02 46.17 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 0.65 7.67 -4.30 0.99 -0.00 -1.26 -4.14 117.00 116.61 2cuh n LEU 96 Ca -0.03 -4.78 -0.42 0.00 -0.00 0.00 0.00 56.01 50.79 2cuh n LEU 96 Cb 0.53 -1.31 -0.01 0.00 -0.00 0.00 0.00 43.42 42.63 2cuh n LEU 96 CO 0.26 1.99 2.16 1.21 -0.00 0.00 0.00 177.39 183.00 2cuh n GLU 97 N 1.34 2.91 -4.13 1.47 2.13 -1.26 -4.90 120.64 118.21 2cuh n GLU 97 Ca 0.58 -2.97 -0.09 0.00 0.66 0.00 0.00 57.16 55.34 2cuh n GLU 97 Cb 0.31 -3.43 -0.10 0.00 0.27 0.00 0.00 31.44 28.48 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 4.47 0.75 1.00 4.31 0.00 -1.26 -5.16 121.76 125.87 2cuh s ALA 98 Ca 0.53 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 51.26 2cuh s ALA 98 Cb 0.07 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.38 2cuh s ALA 98 CO 0.04 -0.26 0.00 -0.35 0.00 0.00 0.00 175.76 175.19 2cuh n PRO 99 N 0.19 0.20 -0.93 0.00 -0.04 -1.26 -4.79 135.00 128.37 2cuh n PRO 99 Ca -0.14 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.11 2cuh n PRO 99 Cb 0.60 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.99 2cuh n PRO 99 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2cuh n ARG 100 N -0.59 2.32 -0.03 0.54 1.74 -1.26 -3.82 116.66 115.55 2cuh n ARG 100 Ca 0.00 -1.37 -0.05 0.00 -0.77 0.00 0.00 57.85 55.66 2cuh n ARG 100 Cb 0.00 -2.30 -0.03 0.00 -1.02 0.00 0.00 32.46 29.11 2cuh n ARG 100 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2cuh n ASP 101 N 3.30 2.83 -0.22 0.55 2.03 -1.26 -4.70 116.55 119.08 2cuh n ASP 101 Ca 0.50 -0.01 0.03 0.00 0.52 0.00 0.00 54.79 55.83 2cuh n ASP 101 Cb 0.43 -0.13 0.14 0.00 -0.72 0.00 0.00 41.12 40.85 2cuh n ASP 101 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2cuh h LEU 102 N -0.06 0.05-10.40 -2.67 3.38 -1.92 -3.42 115.31 100.28 2cuh h LEU 102 Ca -0.15 0.12 -0.52 0.00 0.09 0.00 0.00 57.88 57.42 2cuh h LEU 102 Cb 1.21 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 2cuh h LEU 102 CO -0.04 0.01 -0.26 -1.83 0.09 0.00 0.00 178.44 176.41 2cuh s GLU 103 N -6.07 2.39 -0.27 1.13 -1.05 -1.26 -5.15 118.70 108.41 2cuh s GLU 103 Ca -0.13 -1.72 -0.23 0.00 -0.15 0.00 0.00 54.97 52.74 2cuh s GLU 103 Cb 0.19 -2.39 0.08 0.00 -0.44 0.00 0.00 34.13 31.58 2cuh s GLU 103 CO 0.75 -0.56 0.78 0.00 0.95 0.00 0.00 175.26 177.18 2cuh s ALA 104 N -2.63 -1.85 0.50 -0.84 0.00 -1.26 -4.97 121.76 110.72 2cuh s ALA 104 Ca 0.48 2.07 0.04 0.00 0.00 0.00 0.00 51.96 54.55 2cuh s ALA 104 Cb -0.04 -1.29 -0.00 0.00 0.00 0.00 0.00 23.12 21.79 2cuh s ALA 104 CO 0.29 -0.33 0.16 -1.59 0.00 0.00 0.00 175.76 174.30 2cuh s LYS 105 N 0.58 2.21 -0.27 0.00 -2.85 -1.26 -5.16 119.74 112.99 2cuh s LYS 105 Ca -0.01 -2.18 -0.22 0.00 -1.00 0.00 0.00 55.97 52.55 2cuh s LYS 105 Cb -0.05 -1.79 0.08 0.00 -2.06 0.00 0.00 37.83 34.01 2cuh s LYS 105 CO -0.04 -0.40 0.73 -2.00 0.10 0.00 0.00 175.35 173.75 2cuh s GLU 106 N -4.01 0.78 0.02 1.78 2.12 -1.26 -5.17 118.70 112.96 2cuh s GLU 106 Ca 0.22 1.03 0.05 0.00 0.36 0.00 0.00 54.97 56.63 2cuh s GLU 106 Cb 0.01 0.32 -0.02 0.00 0.26 0.00 0.00 34.13 34.71 2cuh s GLU 106 CO 0.13 -0.11 -0.15 0.54 -0.54 0.00 0.00 175.26 175.12 2cuh s VAL 107 N 0.72 1.18 -0.16 3.70 0.11 -1.26 -5.14 120.40 119.56 2cuh s VAL 107 Ca -0.03 -0.88 -0.08 0.00 -2.93 0.00 0.00 61.98 58.07 2cuh s VAL 107 Cb -0.05 -1.04 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 2cuh s VAL 107 CO -0.05 0.15 0.12 0.28 -3.33 0.00 0.00 175.10 172.27 2cuh s THR 108 N -0.65 5.36 1.12 5.04 -1.32 -1.26 -5.10 115.64 118.84 2cuh s THR 108 Ca 0.04 0.16 -0.16 0.00 -1.21 0.00 0.00 61.69 60.52 2cuh s THR 108 Cb -0.07 -3.39 0.25 0.00 -1.51 0.00 0.00 72.50 67.78 2cuh s THR 108 CO 0.01 0.53 1.10 -2.16 -2.21 0.00 0.00 174.62 171.89 2cuh s PRO 109 N -0.30 -0.59 0.31 7.08 0.04 -1.26 -5.09 135.00 135.19 2cuh s PRO 109 Ca 0.11 0.16 0.04 0.00 0.04 0.00 0.00 61.00 61.35 2cuh s PRO 109 Cb -0.12 -1.65 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 2cuh s PRO 109 CO 0.01 -3.34 0.04 0.45 0.04 0.00 0.00 177.00 174.20 2cuh s SER 110 N -3.71 2.31 0.00 6.66 0.15 -1.26 -5.08 113.70 112.78 2cuh s SER 110 Ca 0.69 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2cuh s SER 110 Cb -0.13 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 2cuh s SER 110 CO 0.57 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2cuh n GLY 111 N -0.64 1.61 0.10 9.45 0.00 -1.26 -5.06 105.19 109.39 2cuh n GLY 111 Ca -0.03 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 2cuh n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cuh h PRO 112 N 0.00 0.22 -1.94 1.61 0.13 -2.08 -3.48 132.00 126.46 2cuh h PRO 112 Ca 0.00 -0.12 0.27 0.00 -0.87 0.00 0.00 66.00 65.29 2cuh h PRO 112 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.05 2cuh h PRO 112 CO 0.00 0.65 0.74 -1.54 -0.23 0.00 0.00 178.00 177.62 2cuh s SER 113 N -5.96 -0.05 -0.29 1.44 1.04 -1.26 -5.18 113.70 103.43 2cuh s SER 113 Ca -0.15 -0.29 -0.16 0.00 0.48 0.00 0.00 55.95 55.83 2cuh s SER 113 Cb 0.04 0.28 0.18 0.00 0.10 0.00 0.00 66.02 66.61 2cuh s SER 113 CO 0.72 -0.53 1.11 -0.55 0.98 0.00 0.00 173.24 174.97 2cuh s SER 114 N -3.23 -0.30 0.00 7.02 0.15 -1.26 -5.29 113.70 110.79 2cuh s SER 114 Ca 0.18 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2cuh s SER 114 Cb 0.01 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.45 2cuh s SER 114 CO -0.00 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 174.97