#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 5.86 -4.82 1.61 7.64 -1.26 -4.93 113.62 117.72 2cuh n SER 2 Ca 0.00 -2.74 -0.33 0.00 1.01 0.00 0.00 58.87 56.82 2cuh n SER 2 Cb 0.00 -1.15 -0.04 0.00 -1.01 0.00 0.00 64.21 62.01 2cuh n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cuh s SER 3 N 1.17 6.57 0.00 6.43 0.01 -1.26 -5.08 113.70 121.55 2cuh s SER 3 Ca 0.25 1.72 0.00 0.00 1.31 0.00 0.00 55.95 59.23 2cuh s SER 3 Cb 0.16 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2cuh s SER 3 CO -0.02 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2cuh n GLY 4 N -0.87 5.12 0.43 3.44 0.00 -1.26 -5.04 105.19 107.00 2cuh n GLY 4 Ca 0.08 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 2cuh n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2cuh h SER 5 N 0.00 -1.54 -5.01 1.61 0.87 -2.05 -3.44 113.55 103.98 2cuh h SER 5 Ca 0.00 0.20 -0.08 0.00 -1.23 0.00 0.00 61.79 60.68 2cuh h SER 5 Cb 0.00 0.63 -0.18 0.00 -0.44 0.00 0.00 62.40 62.41 2cuh h SER 5 CO 0.00 -0.44 -0.07 -0.55 -0.53 0.00 0.00 176.83 175.25 2cuh s SER 6 N -4.92 -0.36 0.00 6.23 0.15 -1.26 -5.13 113.70 108.41 2cuh s SER 6 Ca -0.15 0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2cuh s SER 6 Cb 0.09 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2cuh s SER 6 CO 0.63 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 175.07 2cuh n GLY 7 N 0.76 0.62 0.25 9.45 0.00 -1.26 -5.12 105.19 109.89 2cuh n GLY 7 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.18 -0.22 1.61 -0.04 -1.26 -4.98 135.00 128.93 2cuh n PRO 8 Ca 0.00 -0.12 0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2cuh n PRO 8 Cb 0.00 -0.12 0.17 0.00 -0.04 0.00 0.00 33.50 33.51 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 -3.13 3.09 0.00 3.54 9.92 -1.26 -5.00 116.55 123.70 2cuh n ASP 9 Ca 0.01 -2.15 0.00 0.00 -0.53 0.00 0.00 54.79 52.12 2cuh n ASP 9 Cb 0.04 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.24 2cuh n ASP 9 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2cuh n GLY 10 N 0.38 5.15 3.67 0.44 0.00 -1.26 -4.73 105.19 108.84 2cuh n GLY 10 Ca 0.13 -1.99 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 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 2.01 4.22 0.26 1.61 0.04 -1.26 -4.36 135.00 137.52 2cuh s PRO 11 Ca 0.00 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.10 2cuh s PRO 11 Cb 0.00 -3.80 -0.06 0.00 0.04 0.00 0.00 34.50 30.68 2cuh s PRO 11 CO 0.00 -0.73 -0.01 0.95 0.04 0.00 0.00 177.00 177.25 2cuh s THR 12 N 3.39 1.25 -1.29 1.26 -4.23 -1.23 -4.62 115.64 110.18 2cuh s THR 12 Ca 0.67 -2.06 -0.04 0.00 -1.18 0.00 0.00 61.69 59.08 2cuh s THR 12 Cb -0.30 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.08 2cuh s THR 12 CO 0.25 -0.26 0.46 0.00 -0.54 0.00 0.00 174.62 174.54 2cuh n GLN 13 N -0.52 -3.82 -1.69 3.99 6.02 -1.26 -2.25 117.38 117.85 2cuh n GLN 13 Ca -0.05 0.75 -0.44 0.00 -0.01 0.00 0.00 57.00 57.26 2cuh n GLN 13 Cb 0.64 -5.26 -0.04 0.00 1.02 0.00 0.00 30.24 26.61 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 -3.27 3.79 -4.49 1.08 7.94 -1.26 -4.66 117.00 116.13 2cuh n LEU 14 Ca -0.10 1.00 -0.23 0.00 -1.11 0.00 0.00 56.01 55.57 2cuh n LEU 14 Cb 0.60 -1.50 -0.10 0.00 0.53 0.00 0.00 43.42 42.95 2cuh n LEU 14 CO 0.37 0.06 -0.25 -0.13 -1.11 0.00 0.00 177.39 176.34 2cuh s ARG 15 N 2.53 1.76 -0.28 1.96 0.52 -1.05 -4.99 118.95 119.41 2cuh s ARG 15 Ca 0.83 -2.01 0.01 0.00 -0.52 0.00 0.00 55.73 54.04 2cuh s ARG 15 Cb -0.55 -0.86 0.08 0.00 0.52 0.00 0.00 34.95 34.14 2cuh s ARG 15 CO 0.39 -0.27 0.01 0.00 0.02 0.00 0.00 175.30 175.45 2cuh s ALA 16 N -3.24 2.16 0.39 2.13 0.00 -1.26 -3.84 121.76 118.09 2cuh s ALA 16 Ca 0.32 -1.77 -0.09 0.00 0.00 0.00 0.00 51.96 50.42 2cuh s ALA 16 Cb 0.07 -1.63 -0.06 0.00 0.00 0.00 0.00 23.12 21.50 2cuh s ALA 16 CO 0.15 -1.43 0.72 -1.17 0.00 0.00 0.00 175.76 174.03 2cuh s LEU 17 N 1.29 3.86 -1.08 0.00 1.98 -1.26 -4.97 118.68 118.50 2cuh s LEU 17 Ca 0.02 1.02 -0.23 0.00 -2.89 0.00 0.00 54.13 52.05 2cuh s LEU 17 Cb -0.19 -3.89 -0.03 0.00 0.66 0.00 0.00 46.19 42.74 2cuh s LEU 17 CO -0.11 -0.37 1.84 0.54 -1.89 0.00 0.00 176.35 176.36 2cuh s ASN 18 N -3.27 5.55 0.68 3.68 2.20 -1.26 -4.95 114.94 117.57 2cuh s ASN 18 Ca 0.49 -1.40 -0.07 0.00 -0.94 0.00 0.00 52.86 50.94 2cuh s ASN 18 Cb -0.10 -2.57 0.04 0.00 -2.00 0.00 0.00 41.25 36.61 2cuh s ASN 18 CO 0.32 -2.45 1.00 -1.48 -2.94 0.00 0.00 177.10 171.55 2cuh s LEU 19 N 8.82 2.92 0.07 3.54 -0.00 -1.26 -4.95 118.68 127.82 2cuh s LEU 19 Ca 0.64 0.62 -0.25 0.00 -0.00 0.00 0.00 54.13 55.14 2cuh s LEU 19 Cb -0.02 -3.32 -0.13 0.00 -0.00 0.00 0.00 46.19 42.72 2cuh s LEU 19 CO 0.04 -1.44 0.57 0.41 -0.00 0.00 0.00 176.35 175.93 2cuh n THR 20 N -2.86 0.75 -1.66 5.48 -1.04 -1.26 -4.59 114.28 109.10 2cuh n THR 20 Ca 0.07 -0.19 -0.16 0.00 -2.04 0.00 0.00 64.05 61.73 2cuh n THR 20 Cb 0.59 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 69.02 2cuh n THR 20 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2cuh s GLU 21 N -0.37 1.54 0.00 -2.82 1.03 -1.26 -2.03 118.70 114.78 2cuh s GLU 21 Ca 0.56 -0.12 0.00 0.00 0.03 0.00 0.00 54.97 55.44 2cuh s GLU 21 Cb -0.80 -4.93 0.00 0.00 -0.80 0.00 0.00 34.13 27.60 2cuh s GLU 21 CO 0.41 -4.82 0.00 0.41 -1.33 0.00 0.00 175.26 169.93 2cuh n GLY 22 N 6.44 3.61 3.49 -3.83 0.00 -1.26 -5.09 105.19 108.55 2cuh n GLY 22 Ca 0.44 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 3.04 -0.02 1.61 2.19 -0.86 -4.92 117.98 119.01 2cuh s PHE 23 Ca 0.00 -0.21 -0.16 0.00 0.33 0.00 0.00 56.93 56.89 2cuh s PHE 23 Cb 0.00 -3.46 -0.05 0.00 -1.31 0.00 0.00 43.02 38.20 2cuh s PHE 23 CO 0.00 -0.96 0.44 0.00 1.83 0.00 0.00 175.22 176.53 2cuh s ALA 24 N 2.85 3.62 0.10 11.12 0.00 -1.23 -4.14 121.76 134.08 2cuh s ALA 24 Ca 0.21 -0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.01 2cuh s ALA 24 Cb -0.16 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 2cuh s ALA 24 CO 0.17 0.34 -0.07 0.14 0.00 0.00 0.00 175.76 176.33 2cuh s VAL 25 N -0.61 0.77 -0.05 0.00 -7.23 -1.26 -0.50 120.40 111.52 2cuh s VAL 25 Ca 0.25 -1.90 -0.03 0.00 -1.81 0.00 0.00 61.98 58.49 2cuh s VAL 25 Cb -0.17 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 2cuh s VAL 25 CO 0.13 -0.81 0.12 -0.76 -0.31 0.00 0.00 175.10 173.47 2cuh s LEU 26 N -2.96 4.15 -0.14 1.32 1.43 -1.18 -4.83 118.68 116.48 2cuh s LEU 26 Ca 0.11 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 2cuh s LEU 26 Cb 0.04 -2.26 0.03 0.00 0.03 0.00 0.00 46.19 44.02 2cuh s LEU 26 CO -0.03 0.32 -0.11 -2.28 0.23 0.00 0.00 176.35 174.48 2cuh s HIS 27 N -1.15 1.92 0.11 0.29 2.46 -1.25 -3.51 115.29 114.17 2cuh s HIS 27 Ca 0.21 -1.09 0.06 0.00 0.47 0.00 0.00 55.06 54.71 2cuh s HIS 27 Cb -0.12 -1.46 -0.04 0.00 -0.13 0.00 0.00 32.58 30.84 2cuh s HIS 27 CO 0.11 -0.62 -0.15 1.67 -2.47 0.00 0.00 174.74 173.28 2cuh s TRP 28 N 1.57 1.40 -0.23 3.88 -2.14 -1.26 -2.52 118.94 119.64 2cuh s TRP 28 Ca 0.04 -0.52 -0.18 0.00 2.66 0.00 0.00 56.10 58.10 2cuh s TRP 28 Cb -0.13 -0.75 -0.03 0.00 -3.10 0.00 0.00 33.47 29.46 2cuh s TRP 28 CO -0.09 0.13 0.49 0.21 -2.66 0.00 0.00 176.95 175.03 2cuh s LYS 29 N -2.41 4.13 -0.23 3.25 2.20 -0.96 -4.90 119.74 120.81 2cuh s LYS 29 Ca 0.06 0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 55.71 2cuh s LYS 29 Cb -0.06 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.63 2cuh s LYS 29 CO 0.03 -0.23 1.63 -1.25 -0.36 0.00 0.00 175.35 175.17 2cuh s PRO 30 N 1.90 3.75 0.55 4.03 0.04 -1.26 -3.47 135.00 140.53 2cuh s PRO 30 Ca 0.22 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 62.69 2cuh s PRO 30 Cb -0.15 -4.05 -0.05 0.00 0.04 0.00 0.00 34.50 30.28 2cuh s PRO 30 CO 0.09 -1.35 1.13 -1.25 0.04 0.00 0.00 177.00 175.66 2cuh s PRO 31 N 4.77 3.32 0.28 0.56 0.04 -1.26 -4.86 135.00 137.84 2cuh s PRO 31 Ca 0.72 1.59 0.18 0.00 0.04 0.00 0.00 61.00 63.53 2cuh s PRO 31 Cb -0.24 -2.00 1.00 0.00 0.04 0.00 0.00 34.50 33.29 2cuh s PRO 31 CO 0.30 -0.87 1.13 0.94 0.04 0.00 0.00 177.00 178.53 2cuh n GLN 32 N -1.38 -0.04 -3.28 4.56 7.27 -1.26 -3.35 117.38 119.91 2cuh n GLN 32 Ca 0.11 0.96 -0.44 0.00 0.07 0.00 0.00 57.00 57.71 2cuh n GLN 32 Cb 0.51 -1.77 -0.07 0.00 2.41 0.00 0.00 30.24 31.31 2cuh n GLN 32 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2cuh s ASN 33 N -4.57 6.19 -0.33 1.69 4.22 -1.26 -5.03 114.94 115.86 2cuh s ASN 33 Ca -0.06 -0.98 -0.29 0.00 -2.14 0.00 0.00 52.86 49.39 2cuh s ASN 33 Cb 0.24 -2.24 -0.01 0.00 1.28 0.00 0.00 41.25 40.52 2cuh s ASN 33 CO 0.57 -0.73 1.68 -2.16 -2.04 0.00 0.00 177.10 174.42 2cuh s PRO 34 N 2.18 3.48 0.82 3.55 0.04 -1.21 -4.87 135.00 138.97 2cuh s PRO 34 Ca 0.11 1.36 -0.14 0.00 0.04 0.00 0.00 61.00 62.37 2cuh s PRO 34 Cb -0.20 -4.13 0.21 0.00 0.04 0.00 0.00 34.50 30.42 2cuh s PRO 34 CO 0.11 -1.69 0.50 1.33 0.04 0.00 0.00 177.00 177.29 2cuh n VAL 35 N 7.17 0.00 -0.11 -0.36 0.24 -1.26 -5.01 118.33 119.00 2cuh n VAL 35 Ca 0.21 -0.02 -0.17 0.00 -2.04 0.00 0.00 64.34 62.32 2cuh n VAL 35 Cb 0.47 -0.60 -0.06 0.00 -1.47 0.00 0.00 33.84 32.17 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 -4.55 1.92 -3.85 -1.34 8.00 -1.03 -4.20 116.55 111.49 2cuh n ASP 36 Ca 0.08 0.38 -0.12 0.00 0.71 0.00 0.00 54.79 55.84 2cuh n ASP 36 Cb 0.34 -0.80 -0.13 0.00 -0.02 0.00 0.00 41.12 40.50 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 -2.64 0.01 -0.21 -3.53 -4.23 -1.23 0.02 115.64 103.83 2cuh s THR 37 Ca -0.30 -0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.02 2cuh s THR 37 Cb 0.08 -0.12 -0.05 0.00 1.34 0.00 0.00 72.50 73.75 2cuh s THR 37 CO 0.44 -0.03 0.27 -0.31 -0.54 0.00 0.00 174.62 174.45 2cuh s TYR 38 N -0.06 3.38 -0.58 3.99 2.02 0.55 -0.52 117.35 126.13 2cuh s TYR 38 Ca -0.01 0.45 -0.19 0.00 -0.37 0.00 0.00 57.07 56.95 2cuh s TYR 38 Cb -0.01 -2.36 0.10 0.00 -0.40 0.00 0.00 41.96 39.28 2cuh s TYR 38 CO 0.00 0.10 0.68 0.34 -1.57 0.00 0.00 175.55 175.10 2cuh s ASP 39 N 0.86 6.19 -0.16 2.29 -1.08 -0.94 -3.03 116.67 120.80 2cuh s ASP 39 Ca 0.14 -1.38 -0.08 0.00 -0.52 0.00 0.00 52.55 50.70 2cuh s ASP 39 Cb -0.14 -2.29 -0.04 0.00 -1.46 0.00 0.00 42.92 38.99 2cuh s ASP 39 CO 0.05 -1.07 0.12 -0.63 0.52 0.00 0.00 175.17 174.16 2cuh s ILE 40 N 2.62 5.32 -0.18 4.11 1.01 -1.19 -2.12 121.20 130.76 2cuh s ILE 40 Ca 0.11 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 2cuh s ILE 40 Cb -0.24 -3.37 0.05 0.00 0.01 0.00 0.00 42.46 38.92 2cuh s ILE 40 CO 0.07 0.53 0.01 -1.58 0.00 0.00 0.00 174.94 173.96 2cuh s GLN 41 N -0.32 0.92 -0.17 2.79 0.74 -0.94 -2.81 119.66 119.88 2cuh s GLN 41 Ca 0.11 -0.48 -0.12 0.00 0.05 0.00 0.00 55.36 54.92 2cuh s GLN 41 Cb -0.12 -2.07 -0.05 0.00 1.10 0.00 0.00 33.01 31.88 2cuh s GLN 41 CO 0.01 -0.57 0.23 0.08 -0.55 0.00 0.00 175.29 174.49 2cuh s VAL 42 N 1.76 5.35 0.10 1.34 1.01 -0.77 -2.16 120.40 127.02 2cuh s VAL 42 Ca -0.01 0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.31 2cuh s VAL 42 Cb -0.17 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2cuh s VAL 42 CO -0.07 0.43 0.18 0.42 0.00 0.00 0.00 175.10 176.05 2cuh s THR 43 N 0.29 0.14 0.00 3.92 -4.23 -0.91 -1.75 115.64 113.10 2cuh s THR 43 Ca 0.14 -1.32 -0.28 0.00 -1.18 0.00 0.00 61.69 59.05 2cuh s THR 43 Cb -0.12 -1.48 0.10 0.00 1.34 0.00 0.00 72.50 72.33 2cuh s THR 43 CO 0.02 -0.62 0.82 0.00 -0.54 0.00 0.00 174.62 174.30 2cuh s ALA 44 N -3.89 -1.79 -0.61 3.99 0.00 -1.26 -1.43 121.76 116.77 2cuh s ALA 44 Ca 0.08 1.02 -0.26 0.00 0.00 0.00 0.00 51.96 52.80 2cuh s ALA 44 Cb 0.05 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 2cuh s ALA 44 CO -0.08 -0.61 1.86 -1.25 0.00 0.00 0.00 175.76 175.67 2cuh s PRO 45 N -2.75 2.62 0.00 0.00 0.04 -1.26 -2.48 135.00 131.18 2cuh s PRO 45 Ca 0.01 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2cuh s PRO 45 Cb -0.01 -4.39 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2cuh s PRO 45 CO -0.06 -2.74 0.00 0.41 0.04 0.00 0.00 177.00 174.65 2cuh n GLY 46 N 5.70 1.70 3.05 0.56 0.00 -1.26 -5.06 105.19 109.88 2cuh n GLY 46 Ca 0.20 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 0.03 0.46 4.61 0.00 -1.03 -5.14 121.76 118.69 2cuh s ALA 47 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 51.96 51.18 2cuh s ALA 47 Cb 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 23.12 23.22 2cuh s ALA 47 CO 0.00 -0.22 1.17 -1.25 0.00 0.00 0.00 175.76 175.45 2cuh s PRO 48 N -1.94 3.74 0.31 0.00 0.04 -1.26 -4.52 135.00 131.38 2cuh s PRO 48 Ca -0.11 1.78 -0.29 0.00 0.04 0.00 0.00 61.00 62.42 2cuh s PRO 48 Cb -0.06 -2.40 -0.10 0.00 0.04 0.00 0.00 34.50 31.98 2cuh s PRO 48 CO -0.02 -0.56 1.23 -1.25 0.04 0.00 0.00 177.00 176.43 2cuh s PRO 49 N -2.71 4.46 -0.10 0.56 0.04 -1.26 -4.80 135.00 131.19 2cuh s PRO 49 Ca 0.64 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.77 2cuh s PRO 49 Cb -0.29 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.14 2cuh s PRO 49 CO 0.35 -0.04 -0.20 -1.17 0.04 0.00 0.00 177.00 175.98 2cuh s LEU 50 N -1.64 1.95 -0.06 -3.56 2.96 -0.72 -5.03 118.68 112.58 2cuh s LEU 50 Ca 0.47 -0.50 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 2cuh s LEU 50 Cb -0.37 -1.25 0.00 0.00 0.50 0.00 0.00 46.19 45.07 2cuh s LEU 50 CO 0.48 0.10 -0.18 -1.58 -1.32 0.00 0.00 176.35 173.85 2cuh s GLN 51 N 0.59 2.13 0.30 1.98 0.74 -1.26 -1.85 119.66 122.28 2cuh s GLN 51 Ca -0.14 -0.65 -0.07 0.00 0.05 0.00 0.00 55.36 54.55 2cuh s GLN 51 Cb -0.17 -1.75 -0.00 0.00 1.10 0.00 0.00 33.01 32.19 2cuh s GLN 51 CO 0.04 0.19 0.46 0.00 -0.55 0.00 0.00 175.29 175.43 2cuh s ALA 52 N 0.24 0.35 0.10 1.58 0.00 -1.12 -5.08 121.76 117.84 2cuh s ALA 52 Ca -0.10 -1.25 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 2cuh s ALA 52 Cb -0.14 1.12 0.02 0.00 0.00 0.00 0.00 23.12 24.12 2cuh s ALA 52 CO 0.04 -0.81 0.31 -2.00 0.00 0.00 0.00 175.76 173.31 2cuh s GLU 53 N -3.49 0.96 -0.15 0.00 2.56 -1.26 -3.17 118.70 114.14 2cuh s GLU 53 Ca 0.27 -0.79 -0.24 0.00 0.00 0.00 0.00 54.97 54.22 2cuh s GLU 53 Cb -0.00 0.41 0.06 0.00 2.00 0.00 0.00 34.13 36.60 2cuh s GLU 53 CO 0.15 -0.34 0.61 -0.08 -0.56 0.00 0.00 175.26 175.03 2cuh s THR 54 N -3.71 0.01 0.40 -1.70 -1.32 -1.17 -4.97 115.64 103.19 2cuh s THR 54 Ca 0.03 -0.05 -0.25 0.00 -1.21 0.00 0.00 61.69 60.21 2cuh s THR 54 Cb 0.03 -0.88 -0.08 0.00 -1.51 0.00 0.00 72.50 70.05 2cuh s THR 54 CO -0.11 -0.03 1.19 -2.16 -2.21 0.00 0.00 174.62 171.30 2cuh s PRO 55 N -0.31 4.02 0.32 7.08 0.04 -1.26 -0.33 135.00 144.56 2cuh s PRO 55 Ca -0.05 1.88 0.05 0.00 0.04 0.00 0.00 61.00 62.92 2cuh s PRO 55 Cb -0.03 -2.67 0.85 0.00 0.04 0.00 0.00 34.50 32.68 2cuh s PRO 55 CO 0.04 -0.36 1.54 0.41 0.04 0.00 0.00 177.00 178.67 2cuh n GLY 56 N 0.63 -1.24 0.24 0.56 0.00 0.10 -0.03 105.19 105.46 2cuh n GLY 56 Ca 0.04 0.94 0.24 0.00 0.00 0.00 0.00 46.02 47.24 2cuh n GLY 56 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cuh n SER 57 N -5.43 0.25 -4.79 1.61 7.64 -1.26 -4.22 113.62 107.41 2cuh n SER 57 Ca 0.26 1.25 -0.36 0.00 1.01 0.00 0.00 58.87 61.03 2cuh n SER 57 Cb 0.84 -0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 63.38 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 -5.17 3.16 -0.10 -0.43 0.00 0.95 -4.97 121.76 115.20 2cuh s ALA 58 Ca -0.07 0.50 0.15 0.00 0.00 0.00 0.00 51.96 52.54 2cuh s ALA 58 Cb 0.25 -3.18 0.23 0.00 0.00 0.00 0.00 23.12 20.42 2cuh s ALA 58 CO 0.59 0.14 1.12 1.33 0.00 0.00 0.00 175.76 178.94 2cuh n VAL 59 N 0.19 1.50 -3.62 0.00 0.24 -1.26 -4.93 118.33 110.45 2cuh n VAL 59 Ca 0.04 -1.80 -0.10 0.00 -2.04 0.00 0.00 64.34 60.44 2cuh n VAL 59 Cb 0.51 -0.08 -0.06 0.00 -1.47 0.00 0.00 33.84 32.74 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 -2.47 -0.42 -0.35 -1.34 1.47 -1.26 -4.00 116.67 108.30 2cuh s ASP 60 Ca 0.25 0.70 -0.00 0.00 1.18 0.00 0.00 52.55 54.68 2cuh s ASP 60 Cb 0.22 0.67 0.11 0.00 -0.34 0.00 0.00 42.92 43.59 2cuh s ASP 60 CO 0.02 -0.21 0.14 -0.47 0.68 0.00 0.00 175.17 175.33 2cuh s TYR 61 N -0.21 1.68 -0.37 2.11 5.04 -1.23 -4.98 117.35 119.39 2cuh s TYR 61 Ca 0.02 -1.89 -0.28 0.00 -2.44 0.00 0.00 57.07 52.47 2cuh s TYR 61 Cb -0.04 -1.69 -0.01 0.00 0.35 0.00 0.00 41.96 40.57 2cuh s TYR 61 CO -0.04 -0.85 1.72 -1.25 -1.34 0.00 0.00 175.55 173.79 2cuh s PRO 62 N 1.26 3.33 -0.03 4.97 0.04 -1.26 -3.09 135.00 140.23 2cuh s PRO 62 Ca 0.12 1.25 -0.23 0.00 0.04 0.00 0.00 61.00 62.18 2cuh s PRO 62 Cb -0.20 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 2cuh s PRO 62 CO -0.17 -1.86 0.69 -0.51 0.04 0.00 0.00 177.00 175.19 2cuh s LEU 63 N 6.74 4.37 0.44 -3.56 1.43 0.34 -4.94 118.68 123.50 2cuh s LEU 63 Ca 0.74 1.25 0.05 0.00 -1.03 0.00 0.00 54.13 55.14 2cuh s LEU 63 Cb -0.20 -3.09 -0.06 0.00 0.03 0.00 0.00 46.19 42.88 2cuh s LEU 63 CO 0.32 -0.04 0.01 -1.38 0.23 0.00 0.00 176.35 175.50 2cuh s HIS 64 N 0.38 2.27 -0.76 0.29 -3.43 -1.26 -3.54 115.29 109.23 2cuh s HIS 64 Ca 0.36 -0.78 -0.03 0.00 -0.80 0.00 0.00 55.06 53.81 2cuh s HIS 64 Cb -0.19 -1.70 0.00 0.00 -1.43 0.00 0.00 32.58 29.27 2cuh s HIS 64 CO 0.19 0.35 0.65 -3.47 -2.00 0.00 0.00 174.74 170.46 2cuh n ASP 65 N -1.07 -3.40 -4.65 7.38 -0.08 -1.26 -5.03 116.55 108.44 2cuh n ASP 65 Ca -0.10 -0.34 -0.32 0.00 -1.51 0.00 0.00 54.79 52.52 2cuh n ASP 65 Cb 0.67 -3.21 -0.09 0.00 2.34 0.00 0.00 41.12 40.83 2cuh n ASP 65 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2cuh s LEU 66 N -4.66 3.39 0.05 -2.67 1.02 -1.26 -5.09 118.68 109.46 2cuh s LEU 66 Ca 0.19 -0.08 -0.31 0.00 0.02 0.00 0.00 54.13 53.95 2cuh s LEU 66 Cb -0.08 -1.97 -0.06 0.00 0.02 0.00 0.00 46.19 44.10 2cuh s LEU 66 CO 0.43 0.27 1.32 -0.69 0.02 0.00 0.00 176.35 177.70 2cuh s VAL 67 N -1.09 3.72 1.11 -1.59 1.01 -1.26 -5.01 120.40 117.30 2cuh s VAL 67 Ca 0.19 1.19 -0.13 0.00 0.00 0.00 0.00 61.98 63.24 2cuh s VAL 67 Cb -0.11 -3.76 0.25 0.00 0.00 0.00 0.00 36.38 32.76 2cuh s VAL 67 CO 0.10 0.05 1.05 -0.76 0.00 0.00 0.00 175.10 175.55 2cuh s LEU 68 N 1.60 1.03 -1.15 3.92 2.01 -1.26 -3.59 118.68 121.24 2cuh s LEU 68 Ca 0.62 1.33 -0.01 0.00 0.01 0.00 0.00 54.13 56.08 2cuh s LEU 68 Cb -0.32 -3.32 0.00 0.00 0.01 0.00 0.00 46.19 42.56 2cuh s LEU 68 CO 0.28 -3.84 0.02 1.41 1.01 0.00 0.00 176.35 175.23 2cuh n HIS 69 N -4.66 -0.95 -3.75 0.29 8.25 -1.26 -4.90 115.22 108.25 2cuh n HIS 69 Ca 0.03 0.44 -0.12 0.00 -0.26 0.00 0.00 57.72 57.81 2cuh n HIS 69 Cb 0.56 -2.10 -0.13 0.00 1.12 0.00 0.00 29.99 29.44 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 -4.04 -0.03 -0.28 1.59 2.01 -1.24 -5.04 115.64 108.61 2cuh s THR 70 Ca 0.01 0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 2cuh s THR 70 Cb -0.01 -0.36 -0.00 0.00 0.01 0.00 0.00 72.50 72.13 2cuh s THR 70 CO 0.75 0.04 1.37 0.21 -0.69 0.00 0.00 174.62 176.30 2cuh s ASN 71 N 0.91 6.61 -0.18 3.53 3.84 -1.26 -3.89 114.94 124.50 2cuh s ASN 71 Ca -0.06 1.30 -0.03 0.00 0.21 0.00 0.00 52.86 54.27 2cuh s ASN 71 Cb -0.08 -2.54 -0.02 0.00 -0.55 0.00 0.00 41.25 38.07 2cuh s ASN 71 CO -0.06 -1.12 -0.06 -0.31 -2.79 0.00 0.00 177.10 172.76 2cuh s TYR 72 N 4.56 2.94 -0.25 0.43 1.51 -1.25 -4.48 117.35 120.82 2cuh s TYR 72 Ca 0.60 -0.64 -0.10 0.00 -1.01 0.00 0.00 57.07 55.92 2cuh s TYR 72 Cb -0.18 -1.99 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 2cuh s TYR 72 CO 0.24 -0.29 0.14 0.99 -1.11 0.00 0.00 175.55 175.52 2cuh s THR 73 N 0.83 5.05 0.13 -0.71 2.01 -0.51 -3.90 115.64 118.54 2cuh s THR 73 Ca -0.02 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.12 2cuh s THR 73 Cb -0.15 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2cuh s THR 73 CO 0.01 0.33 -0.00 0.00 -0.69 0.00 0.00 174.62 174.27 2cuh s ALA 74 N 1.28 3.23 -0.23 7.40 0.00 -1.23 -2.13 121.76 130.08 2cuh s ALA 74 Ca 0.06 -1.25 -0.03 0.00 0.00 0.00 0.00 51.96 50.75 2cuh s ALA 74 Cb -0.14 -1.08 0.07 0.00 0.00 0.00 0.00 23.12 21.97 2cuh s ALA 74 CO 0.06 0.58 0.06 0.99 0.00 0.00 0.00 175.76 177.45 2cuh s THR 75 N -1.51 0.51 0.10 0.00 2.01 -0.92 -2.90 115.64 112.92 2cuh s THR 75 Ca 0.26 -0.77 -0.09 0.00 0.31 0.00 0.00 61.69 61.41 2cuh s THR 75 Cb -0.10 -1.16 -0.06 0.00 0.01 0.00 0.00 72.50 71.19 2cuh s THR 75 CO 0.18 -0.39 0.40 -0.69 -0.69 0.00 0.00 174.62 173.43 2cuh s VAL 76 N 1.84 5.11 0.19 3.82 1.01 0.27 -2.20 120.40 130.44 2cuh s VAL 76 Ca 0.03 0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.33 2cuh s VAL 76 Cb -0.17 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2cuh s VAL 76 CO -0.16 0.21 0.18 -0.13 0.00 0.00 0.00 175.10 175.21 2cuh s ARG 77 N -2.12 1.19 -0.22 2.72 0.52 -0.90 -0.12 118.95 120.01 2cuh s ARG 77 Ca 0.35 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 2cuh s ARG 77 Cb -0.13 0.30 0.06 0.00 0.52 0.00 0.00 34.95 35.70 2cuh s ARG 77 CO 0.20 -0.40 -0.05 0.20 0.02 0.00 0.00 175.30 175.26 2cuh s GLY 78 N -3.10 1.23 -0.83 -3.53 0.00 -1.26 -2.22 107.32 97.60 2cuh s GLY 78 Ca 0.32 -1.26 -0.24 0.00 0.00 0.00 0.00 44.72 43.53 2cuh s GLY 78 CO 0.08 0.94 1.25 1.08 0.00 0.00 0.00 173.10 176.45 2cuh s LEU 79 N 1.44 3.76 -0.62 0.66 2.01 0.32 -1.48 118.68 124.77 2cuh s LEU 79 Ca -0.05 -1.07 -0.08 0.00 0.01 0.00 0.00 54.13 52.94 2cuh s LEU 79 Cb -0.18 -2.51 0.16 0.00 0.01 0.00 0.00 46.19 43.67 2cuh s LEU 79 CO -0.07 -1.56 0.49 -0.13 1.01 0.00 0.00 176.35 176.10 2cuh s ARG 80 N 4.77 2.79 3.95 1.70 0.52 -0.90 -2.47 118.95 129.31 2cuh s ARG 80 Ca 0.35 -2.24 0.00 0.00 -0.52 0.00 0.00 55.73 53.32 2cuh s ARG 80 Cb -0.07 -3.98 0.00 0.00 0.52 0.00 0.00 34.95 31.42 2cuh s ARG 80 CO 0.03 -1.21 0.00 0.41 0.02 0.00 0.00 175.30 174.55 2cuh n GLY 81 N 4.12 0.88 0.00 -3.53 0.00 -1.26 -2.47 105.19 102.93 2cuh n GLY 81 Ca 0.04 -0.69 0.04 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 1.25 0.49 -4.44 1.61 -0.04 -1.26 -4.72 135.00 127.89 2cuh n PRO 82 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 2cuh n PRO 82 Cb 0.00 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.75 2.82 0.18 3.54 0.01 -1.03 -5.16 114.94 113.55 2cuh s ASN 83 Ca 0.12 -1.19 0.09 0.00 -0.71 0.00 0.00 52.86 51.16 2cuh s ASN 83 Cb 0.05 -0.18 -0.04 0.00 0.41 0.00 0.00 41.25 41.49 2cuh s ASN 83 CO 0.09 -0.34 -0.18 -0.22 -1.51 0.00 0.00 177.10 174.94 2cuh s LEU 84 N -3.45 2.46 0.51 0.60 2.96 -1.26 -2.11 118.68 118.39 2cuh s LEU 84 Ca 0.30 -0.89 0.05 0.00 -0.22 0.00 0.00 54.13 53.36 2cuh s LEU 84 Cb 0.04 -0.86 0.04 0.00 0.50 0.00 0.00 46.19 45.90 2cuh s LEU 84 CO 0.12 -0.03 0.71 0.42 -1.32 0.00 0.00 176.35 176.25 2cuh s THR 85 N -2.15 2.72 0.16 3.68 -4.23 -0.55 -4.93 115.64 110.34 2cuh s THR 85 Ca 0.18 -0.83 -0.31 0.00 -1.18 0.00 0.00 61.69 59.55 2cuh s THR 85 Cb -0.05 -2.89 -0.09 0.00 1.34 0.00 0.00 72.50 70.80 2cuh s THR 85 CO 0.07 0.00 1.48 -0.44 -0.54 0.00 0.00 174.62 175.20 2cuh s SER 86 N -4.44 6.69 0.48 3.99 0.01 -1.26 -4.50 113.70 114.67 2cuh s SER 86 Ca 0.57 2.51 -0.22 0.00 1.31 0.00 0.00 55.95 60.12 2cuh s SER 86 Cb -0.09 -2.59 -0.07 0.00 0.21 0.00 0.00 66.02 63.47 2cuh s SER 86 CO 0.37 -0.74 1.16 -2.16 0.41 0.00 0.00 173.24 172.27 2cuh s PRO 87 N 0.93 3.65 -0.15 12.44 0.04 -1.26 -4.68 135.00 145.97 2cuh s PRO 87 Ca 0.66 1.73 -0.01 0.00 0.04 0.00 0.00 61.00 63.43 2cuh s PRO 87 Cb -0.41 -2.30 0.04 0.00 0.04 0.00 0.00 34.50 31.87 2cuh s PRO 87 CO 0.32 -0.63 -0.03 0.00 0.04 0.00 0.00 177.00 176.71 2cuh s ALA 88 N -1.60 1.21 0.18 8.56 0.00 0.83 -4.95 121.76 125.98 2cuh s ALA 88 Ca 0.66 -0.63 0.10 0.00 0.00 0.00 0.00 51.96 52.09 2cuh s ALA 88 Cb -0.27 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 2cuh s ALA 88 CO 0.33 -0.76 -0.17 0.45 0.00 0.00 0.00 175.76 175.61 2cuh s SER 89 N 1.76 3.84 0.09 0.00 0.15 -1.26 -0.56 113.70 117.72 2cuh s SER 89 Ca 0.02 -0.72 -0.09 0.00 0.70 0.00 0.00 55.95 55.85 2cuh s SER 89 Cb -0.15 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2cuh s SER 89 CO -0.07 0.11 0.21 -0.51 1.20 0.00 0.00 173.24 174.18 2cuh s ILE 90 N -1.67 0.13 -0.16 6.45 2.07 -1.14 -5.01 121.20 121.87 2cuh s ILE 90 Ca 0.23 -1.10 -0.05 0.00 -1.41 0.00 0.00 60.65 58.31 2cuh s ILE 90 Cb -0.08 -1.30 -0.04 0.00 0.13 0.00 0.00 42.46 41.18 2cuh s ILE 90 CO 0.12 -0.61 0.02 -0.89 -1.91 0.00 0.00 174.94 171.67 2cuh s THR 91 N -3.77 4.43 -0.22 4.00 2.01 -1.26 -3.48 115.64 117.34 2cuh s THR 91 Ca 0.04 -0.17 -0.14 0.00 0.31 0.00 0.00 61.69 61.73 2cuh s THR 91 Cb 0.04 -2.96 0.07 0.00 0.01 0.00 0.00 72.50 69.66 2cuh s THR 91 CO -0.11 0.50 0.55 0.72 -0.69 0.00 0.00 174.62 175.60 2cuh s PHE 92 N 0.15 -0.79 0.34 4.92 -0.12 -1.25 -4.96 117.98 116.27 2cuh s PHE 92 Ca 0.02 1.67 -0.25 0.00 -0.05 0.00 0.00 56.93 58.33 2cuh s PHE 92 Cb -0.13 0.40 -0.10 0.00 -0.63 0.00 0.00 43.02 42.56 2cuh s PHE 92 CO 0.01 -0.41 0.94 0.99 -0.05 0.00 0.00 175.22 176.71 2cuh s THR 93 N 1.25 4.26 -0.41 -4.49 2.01 -1.26 -3.80 115.64 113.20 2cuh s THR 93 Ca -0.08 1.74 0.08 0.00 0.31 0.00 0.00 61.69 63.75 2cuh s THR 93 Cb -0.06 -3.92 0.58 0.00 0.01 0.00 0.00 72.50 69.11 2cuh s THR 93 CO -0.13 0.05 1.50 0.35 -0.69 0.00 0.00 174.62 175.71 2cuh n THR 94 N 0.33 2.22 0.10 -0.82 -2.24 -1.25 -4.56 114.28 108.05 2cuh n THR 94 Ca 0.03 -1.15 0.00 0.00 -2.27 0.00 0.00 64.05 60.66 2cuh n THR 94 Cb 0.51 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 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 0.15 -0.65 3.95 3.38 0.00 -1.26 -4.46 105.19 106.31 2cuh n GLY 95 Ca 0.27 0.10 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.06 -0.73 -3.36 0.99 -0.00 -1.26 -4.84 117.00 104.73 2cuh n LEU 96 Ca 0.00 -1.02 -0.26 0.00 -0.00 0.00 0.00 56.01 54.73 2cuh n LEU 96 Cb 0.00 -1.27 -0.08 0.00 -0.00 0.00 0.00 43.42 42.07 2cuh n LEU 96 CO 0.00 0.28 -0.08 1.21 -0.00 0.00 0.00 177.39 178.80 2cuh n GLU 97 N -3.70 1.73 -3.62 1.47 0.00 -1.26 -5.04 120.64 110.23 2cuh n GLU 97 Ca -0.15 -4.07 -0.08 0.00 0.00 0.00 0.00 57.16 52.87 2cuh n GLU 97 Cb 0.49 -1.85 -0.06 0.00 0.00 0.00 0.00 31.44 30.03 2cuh n GLU 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2cuh s ALA 98 N -1.85 -2.01 -1.24 4.31 0.00 -1.26 -5.02 121.76 114.70 2cuh s ALA 98 Ca 0.37 1.73 0.15 0.00 0.00 0.00 0.00 51.96 54.21 2cuh s ALA 98 Cb 0.14 -1.20 0.69 0.00 0.00 0.00 0.00 23.12 22.75 2cuh s ALA 98 CO -0.06 -0.25 1.43 -0.35 0.00 0.00 0.00 175.76 176.53 2cuh n PRO 99 N 1.27 0.12 -0.32 0.00 -0.04 -1.26 -3.60 135.00 131.16 2cuh n PRO 99 Ca -0.09 0.19 0.20 0.00 -0.04 0.00 0.00 63.50 63.76 2cuh n PRO 99 Cb 0.57 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.94 2cuh n PRO 99 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2cuh h ARG 100 N 0.00 0.17 0.00 0.54 0.11 -2.02 -3.37 114.38 109.81 2cuh h ARG 100 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2cuh h ARG 100 Cb 0.19 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.23 2cuh h ARG 100 CO 0.00 0.11 0.00 -3.47 0.10 0.00 0.00 179.97 176.71 2cuh n ASP 101 N -5.21 0.22 -4.55 0.08 2.03 -1.24 -5.00 116.55 102.88 2cuh n ASP 101 Ca 0.28 0.06 -0.44 0.00 0.52 0.00 0.00 54.79 55.20 2cuh n ASP 101 Cb 0.91 -0.05 -0.04 0.00 -0.72 0.00 0.00 41.12 41.22 2cuh n ASP 101 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2cuh n LEU 102 N -2.76 2.78 -4.88 -2.67 4.32 -1.24 -4.95 117.00 107.60 2cuh n LEU 102 Ca 0.00 0.18 -0.33 0.00 -0.02 0.00 0.00 56.01 55.84 2cuh n LEU 102 Cb 0.00 -1.47 -0.05 0.00 -1.62 0.00 0.00 43.42 40.28 2cuh n LEU 102 CO 0.00 -0.81 -0.18 -0.70 -1.22 0.00 0.00 177.39 174.49 2cuh s GLU 103 N 6.59 3.34 1.00 3.23 2.56 -1.26 -4.29 118.70 129.88 2cuh s GLU 103 Ca 1.04 -0.38 -0.13 0.00 0.00 0.00 0.00 54.97 55.50 2cuh s GLU 103 Cb -0.48 -3.03 0.12 0.00 2.00 0.00 0.00 34.13 32.74 2cuh s GLU 103 CO 0.38 0.66 0.66 0.00 -0.56 0.00 0.00 175.26 176.40 2cuh n ALA 104 N 0.89 -2.32 -2.37 6.30 0.00 -1.26 -4.96 120.51 116.80 2cuh n ALA 104 Ca -0.10 -0.77 -0.39 0.00 0.00 0.00 0.00 53.44 52.17 2cuh n ALA 104 Cb 0.52 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.01 2cuh n ALA 104 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2cuh s LYS 105 N -4.03 4.35 0.70 0.00 1.02 -1.26 -5.04 119.74 115.48 2cuh s LYS 105 Ca 0.61 0.84 -0.16 0.00 0.02 0.00 0.00 55.97 57.28 2cuh s LYS 105 Cb -0.21 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 2cuh s LYS 105 CO 0.64 0.44 0.80 -0.85 -0.92 0.00 0.00 175.35 175.45 2cuh n GLU 106 N 2.38 0.49 -3.66 1.68 0.28 -1.26 -4.97 120.64 115.58 2cuh n GLU 106 Ca -0.07 0.21 -0.36 0.00 -0.16 0.00 0.00 57.16 56.79 2cuh n GLU 106 Cb 0.51 -2.05 -0.07 0.00 1.43 0.00 0.00 31.44 31.25 2cuh n GLU 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2cuh s VAL 107 N -1.80 5.36 0.20 3.84 0.11 -1.26 -5.04 120.40 121.81 2cuh s VAL 107 Ca 0.71 0.39 -0.30 0.00 -2.93 0.00 0.00 61.98 59.85 2cuh s VAL 107 Cb -0.36 -3.54 -0.16 0.00 -1.53 0.00 0.00 36.38 30.78 2cuh s VAL 107 CO 0.52 0.46 0.79 1.07 -3.33 0.00 0.00 175.10 174.61 2cuh n THR 108 N 3.16 1.68 -2.09 5.04 5.66 -1.26 -4.81 114.28 121.66 2cuh n THR 108 Ca -0.15 -0.42 -0.43 0.00 -3.05 0.00 0.00 64.05 60.00 2cuh n THR 108 Cb 0.52 -0.39 -0.03 0.00 -1.55 0.00 0.00 70.33 68.89 2cuh n THR 108 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2cuh s PRO 109 N -0.99 3.50 0.37 1.09 0.04 -1.26 -4.98 135.00 132.78 2cuh s PRO 109 Ca 0.66 1.40 -0.27 0.00 0.04 0.00 0.00 61.00 62.83 2cuh s PRO 109 Cb -0.89 -4.12 -0.09 0.00 0.04 0.00 0.00 34.50 29.44 2cuh s PRO 109 CO 0.57 -1.65 1.27 -1.54 0.04 0.00 0.00 177.00 175.69 2cuh s SER 110 N 5.19 6.58 -0.79 6.66 1.04 -1.26 -4.97 113.70 126.16 2cuh s SER 110 Ca 0.74 2.59 0.02 0.00 0.48 0.00 0.00 55.95 59.79 2cuh s SER 110 Cb -0.21 -2.64 0.31 0.00 0.10 0.00 0.00 66.02 63.58 2cuh s SER 110 CO 0.32 -0.65 1.25 0.61 0.98 0.00 0.00 173.24 175.75 2cuh n GLY 111 N 0.74 5.59 3.73 7.32 0.00 -1.26 -5.05 105.19 116.26 2cuh n GLY 111 Ca 0.02 -2.71 -0.42 0.00 0.00 0.00 0.00 46.02 42.91 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 -3.49 4.36 0.49 1.61 0.04 -1.26 -5.03 135.00 131.73 2cuh s PRO 112 Ca 0.42 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.48 2cuh s PRO 112 Cb 0.20 -3.23 -0.00 0.00 0.04 0.00 0.00 34.50 31.51 2cuh s PRO 112 CO -0.08 -0.33 0.75 0.45 0.04 0.00 0.00 177.00 177.82 2cuh s SER 113 N 0.73 5.80 0.28 6.66 0.15 -1.26 -5.11 113.70 120.95 2cuh s SER 113 Ca 0.60 0.46 -0.20 0.00 0.70 0.00 0.00 55.95 57.52 2cuh s SER 113 Cb -0.36 -1.64 0.06 0.00 -1.71 0.00 0.00 66.02 62.37 2cuh s SER 113 CO 0.34 -0.80 0.88 -0.94 1.20 0.00 0.00 173.24 173.93 2cuh s SER 114 N -4.23 -0.05 0.00 5.45 1.04 -1.26 -5.33 113.70 109.31 2cuh s SER 114 Ca 0.50 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2cuh s SER 114 Cb -0.10 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2cuh s SER 114 CO 0.40 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 173.91