#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cuh n SER 2 N 0.00 -1.32 -2.14 1.61 2.88 -1.14 -4.79 113.62 108.73 2cuh n SER 2 Ca 0.00 -1.19 -0.25 0.00 -1.33 0.00 0.00 58.87 56.10 2cuh n SER 2 Cb 0.00 -1.95 0.04 0.00 -0.75 0.00 0.00 64.21 61.56 2cuh n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cuh n SER 3 N -2.65 6.92 0.00 -3.46 2.88 -1.20 -4.96 113.62 111.15 2cuh n SER 3 Ca -0.03 -3.35 0.00 0.00 -1.33 0.00 0.00 58.87 54.16 2cuh n SER 3 Cb 0.54 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2cuh n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cuh n GLY 4 N -0.05 0.37 0.58 0.46 0.00 -1.26 -4.57 105.19 100.72 2cuh n GLY 4 Ca 0.43 -1.81 0.37 0.00 0.00 0.00 0.00 46.02 45.02 2cuh n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2cuh h SER 5 N 0.00 0.00 -1.53 1.61 4.64 -2.03 -3.12 113.55 113.12 2cuh h SER 5 Ca 0.00 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.61 2cuh h SER 5 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 2cuh h SER 5 CO 0.00 0.00 1.76 -0.44 -0.87 0.00 0.00 176.83 177.28 2cuh s SER 6 N -4.04 6.95 0.05 4.97 0.01 -1.26 -4.94 113.70 115.44 2cuh s SER 6 Ca -0.04 -2.71 0.00 0.00 1.31 0.00 0.00 55.95 54.51 2cuh s SER 6 Cb 0.20 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2cuh s SER 6 CO 0.68 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.98 2cuh n GLY 7 N 4.77 4.10 3.56 3.44 0.00 -1.18 -2.87 105.19 117.01 2cuh n GLY 7 Ca 0.42 -2.22 -0.27 0.00 0.00 0.00 0.00 46.02 43.95 2cuh n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cuh s PRO 8 N -2.17 2.56 -0.22 1.61 0.04 -1.26 -4.77 135.00 130.79 2cuh s PRO 8 Ca 0.00 -0.27 0.07 0.00 0.04 0.00 0.00 61.00 60.84 2cuh s PRO 8 Cb -0.00 -5.05 0.53 0.00 0.04 0.00 0.00 34.50 30.02 2cuh s PRO 8 CO 0.00 -3.37 1.46 -0.25 0.04 0.00 0.00 177.00 174.88 2cuh n ASP 9 N 13.96 4.00 -1.01 6.66 8.00 -1.26 -4.84 116.55 142.06 2cuh n ASP 9 Ca 0.40 -2.81 0.00 0.00 0.71 0.00 0.00 54.79 53.09 2cuh n ASP 9 Cb 0.47 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 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 0.05 4.17 3.77 0.44 0.00 -1.26 -4.64 105.19 107.72 2cuh n GLY 10 Ca 0.27 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.07 4.26 0.34 1.61 0.04 -1.26 -4.46 135.00 135.45 2cuh s PRO 11 Ca 0.00 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.05 2cuh s PRO 11 Cb 0.00 -2.91 -0.01 0.00 0.04 0.00 0.00 34.50 31.62 2cuh s PRO 11 CO 0.00 -0.19 0.37 0.25 0.04 0.00 0.00 177.00 177.48 2cuh n THR 12 N 0.52 0.00 -2.37 1.26 -2.24 -1.23 -4.59 114.28 105.64 2cuh n THR 12 Ca 0.02 -2.13 -0.14 0.00 -2.27 0.00 0.00 64.05 59.52 2cuh n THR 12 Cb 0.44 1.16 -0.01 0.00 -2.10 0.00 0.00 70.33 69.82 2cuh n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cuh n GLN 13 N -0.61 -2.06 -1.80 -0.78 6.02 -1.26 -1.43 117.38 115.47 2cuh n GLN 13 Ca 0.05 0.69 -0.41 0.00 -0.01 0.00 0.00 57.00 57.32 2cuh n GLN 13 Cb 0.59 -5.28 -0.00 0.00 1.02 0.00 0.00 30.24 26.57 2cuh n GLN 13 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2cuh s LEU 14 N -5.58 4.32 0.06 1.08 2.96 -1.26 -4.69 118.68 115.56 2cuh s LEU 14 Ca 0.00 3.06 -0.19 0.00 -0.22 0.00 0.00 54.13 56.77 2cuh s LEU 14 Cb 0.00 -3.67 0.04 0.00 0.50 0.00 0.00 46.19 43.06 2cuh s LEU 14 CO 0.00 -0.88 0.45 -0.13 -1.32 0.00 0.00 176.35 174.47 2cuh s ARG 15 N -2.09 0.99 -0.28 1.98 0.52 -1.13 -5.01 118.95 113.94 2cuh s ARG 15 Ca 0.53 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 55.39 2cuh s ARG 15 Cb -0.47 0.44 0.07 0.00 0.52 0.00 0.00 34.95 35.52 2cuh s ARG 15 CO 0.63 -0.36 -0.07 0.00 0.02 0.00 0.00 175.30 175.53 2cuh s ALA 16 N -2.71 2.65 0.69 2.13 0.00 -1.26 -3.84 121.76 119.43 2cuh s ALA 16 Ca -0.04 -1.93 -0.09 0.00 0.00 0.00 0.00 51.96 49.90 2cuh s ALA 16 Cb -0.00 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.46 2cuh s ALA 16 CO -0.04 -1.31 1.04 -0.51 0.00 0.00 0.00 175.76 174.95 2cuh s LEU 17 N 1.07 2.89 -1.00 0.00 1.43 -1.26 -4.98 118.68 116.83 2cuh s LEU 17 Ca -0.05 0.80 -0.22 0.00 -1.03 0.00 0.00 54.13 53.63 2cuh s LEU 17 Cb -0.20 -3.51 0.06 0.00 0.03 0.00 0.00 46.19 42.57 2cuh s LEU 17 CO -0.05 -1.43 1.39 0.54 0.23 0.00 0.00 176.35 177.02 2cuh s ASN 18 N -4.42 6.52 0.43 2.29 4.22 -1.26 -4.99 114.94 117.73 2cuh s ASN 18 Ca 0.58 -1.55 0.06 0.00 -2.14 0.00 0.00 52.86 49.82 2cuh s ASN 18 Cb -0.11 -2.54 0.01 0.00 1.28 0.00 0.00 41.25 39.90 2cuh s ASN 18 CO 0.48 -1.43 0.59 -1.48 -2.04 0.00 0.00 177.10 173.22 2cuh s LEU 19 N 4.56 3.64 -0.45 3.54 -0.00 -1.26 -4.98 118.68 123.72 2cuh s LEU 19 Ca 0.43 -0.28 -0.43 0.00 -0.00 0.00 0.00 54.13 53.85 2cuh s LEU 19 Cb -0.01 -2.73 -0.18 0.00 -0.00 0.00 0.00 46.19 43.27 2cuh s LEU 19 CO -0.10 -0.77 1.46 1.07 -0.00 0.00 0.00 176.35 178.01 2cuh n THR 20 N -1.91 0.00 -1.48 5.48 5.66 -1.26 -4.62 114.28 116.15 2cuh n THR 20 Ca 0.06 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.92 2cuh n THR 20 Cb 0.59 -0.45 -0.11 0.00 -1.55 0.00 0.00 70.33 68.81 2cuh n THR 20 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2cuh n GLU 21 N 3.63 0.08 0.00 1.09 0.28 -1.26 -2.37 120.64 122.09 2cuh n GLU 21 Ca 0.28 -1.53 0.00 0.00 -0.16 0.00 0.00 57.16 55.76 2cuh n GLU 21 Cb -0.05 -3.63 0.00 0.00 1.43 0.00 0.00 31.44 29.19 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 5.94 -0.08 2.89 -1.84 0.00 -1.26 -4.93 105.19 105.91 2cuh n GLY 22 Ca 0.38 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 46.09 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 2.19 -0.06 1.61 2.19 -1.00 -4.85 117.98 118.06 2cuh s PHE 23 Ca 0.00 -1.70 -0.05 0.00 0.33 0.00 0.00 56.93 55.51 2cuh s PHE 23 Cb 0.00 -1.61 -0.04 0.00 -1.31 0.00 0.00 43.02 40.06 2cuh s PHE 23 CO 0.00 -0.77 0.16 0.00 1.83 0.00 0.00 175.22 176.44 2cuh s ALA 24 N 1.46 3.92 0.23 11.12 0.00 -1.26 -4.60 121.76 132.63 2cuh s ALA 24 Ca -0.02 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.30 2cuh s ALA 24 Cb -0.18 -1.93 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 2cuh s ALA 24 CO -0.09 0.69 -0.08 0.14 0.00 0.00 0.00 175.76 176.42 2cuh s VAL 25 N -1.19 1.52 -0.08 0.00 -7.23 -1.26 -2.25 120.40 109.92 2cuh s VAL 25 Ca 0.22 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 58.20 2cuh s VAL 25 Cb -0.12 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2cuh s VAL 25 CO 0.12 -0.45 0.15 -0.76 -0.31 0.00 0.00 175.10 173.85 2cuh s LEU 26 N -3.35 4.36 -0.15 1.32 1.43 -1.15 -4.84 118.68 116.31 2cuh s LEU 26 Ca 0.26 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 2cuh s LEU 26 Cb 0.02 -2.27 0.03 0.00 0.03 0.00 0.00 46.19 44.00 2cuh s LEU 26 CO 0.08 0.35 -0.11 -2.28 0.23 0.00 0.00 176.35 174.62 2cuh s HIS 27 N -1.14 2.01 0.12 0.29 2.46 -1.25 -3.00 115.29 114.78 2cuh s HIS 27 Ca 0.20 -1.15 0.06 0.00 0.47 0.00 0.00 55.06 54.63 2cuh s HIS 27 Cb -0.12 -1.50 -0.04 0.00 -0.13 0.00 0.00 32.58 30.79 2cuh s HIS 27 CO 0.10 -0.64 -0.14 1.67 -2.47 0.00 0.00 174.74 173.25 2cuh s TRP 28 N 1.54 1.39 -0.22 3.88 -2.14 -1.14 -2.83 118.94 119.41 2cuh s TRP 28 Ca 0.04 -0.55 -0.17 0.00 2.66 0.00 0.00 56.10 58.08 2cuh s TRP 28 Cb -0.13 -0.73 -0.03 0.00 -3.10 0.00 0.00 33.47 29.47 2cuh s TRP 28 CO -0.10 0.13 0.45 0.21 -2.66 0.00 0.00 176.95 174.99 2cuh s LYS 29 N -2.57 4.13 -0.21 3.25 2.47 -0.51 -4.80 119.74 121.49 2cuh s LYS 29 Ca 0.08 0.26 -0.29 0.00 -1.56 0.00 0.00 55.97 54.46 2cuh s LYS 29 Cb -0.05 -3.59 -0.03 0.00 -1.46 0.00 0.00 37.83 32.70 2cuh s LYS 29 CO 0.03 -0.17 1.61 -1.25 0.16 0.00 0.00 175.35 175.73 2cuh s PRO 30 N 1.73 3.82 0.56 4.03 0.04 -1.26 -3.53 135.00 140.39 2cuh s PRO 30 Ca 0.20 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 62.74 2cuh s PRO 30 Cb -0.15 -4.03 -0.05 0.00 0.04 0.00 0.00 34.50 30.31 2cuh s PRO 30 CO 0.09 -1.26 1.13 -1.25 0.04 0.00 0.00 177.00 175.74 2cuh s PRO 31 N 4.62 3.29 0.23 0.56 0.04 -1.26 -4.89 135.00 137.59 2cuh s PRO 31 Ca 0.71 1.58 0.03 0.00 0.04 0.00 0.00 61.00 63.36 2cuh s PRO 31 Cb -0.25 -2.00 0.58 0.00 0.04 0.00 0.00 34.50 32.87 2cuh s PRO 31 CO 0.29 -0.90 1.12 0.94 0.04 0.00 0.00 177.00 178.49 2cuh n GLN 32 N -1.44 -0.06 -3.10 4.56 -0.06 -1.26 -3.39 117.38 112.64 2cuh n GLN 32 Ca 0.11 1.06 -0.43 0.00 -2.00 0.00 0.00 57.00 55.74 2cuh n GLN 32 Cb 0.51 -1.70 -0.06 0.00 -4.06 0.00 0.00 30.24 24.93 2cuh n GLN 32 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2cuh s ASN 33 N -4.97 6.26 -0.19 1.69 4.22 -1.26 -5.02 114.94 115.66 2cuh s ASN 33 Ca -0.09 -0.68 -0.29 0.00 -2.14 0.00 0.00 52.86 49.65 2cuh s ASN 33 Cb 0.21 -2.32 -0.03 0.00 1.28 0.00 0.00 41.25 40.40 2cuh s ASN 33 CO 0.56 -0.90 1.59 -2.16 -2.04 0.00 0.00 177.10 174.14 2cuh s PRO 34 N 2.85 3.89 0.78 3.55 0.04 -1.22 -4.88 135.00 140.01 2cuh s PRO 34 Ca 0.19 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.84 2cuh s PRO 34 Cb -0.17 -4.00 0.20 0.00 0.04 0.00 0.00 34.50 30.56 2cuh s PRO 34 CO 0.15 -1.17 0.57 1.33 0.04 0.00 0.00 177.00 177.91 2cuh n VAL 35 N 6.17 0.00 -0.12 -0.36 0.24 -1.26 -5.02 118.33 117.98 2cuh n VAL 35 Ca 0.18 -0.15 -0.22 0.00 -2.04 0.00 0.00 64.34 62.12 2cuh n VAL 35 Cb 0.45 -0.86 -0.08 0.00 -1.47 0.00 0.00 33.84 31.88 2cuh n VAL 35 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2cuh n ASP 36 N -4.35 1.93 -3.83 -1.34 2.03 -1.15 -4.11 116.55 105.72 2cuh n ASP 36 Ca 0.08 0.37 -0.13 0.00 0.52 0.00 0.00 54.79 55.64 2cuh n ASP 36 Cb 0.34 -0.83 -0.14 0.00 -0.72 0.00 0.00 41.12 39.77 2cuh n ASP 36 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2cuh s THR 37 N -2.56 -0.02 -0.20 5.18 -4.23 -1.25 0.11 115.64 112.66 2cuh s THR 37 Ca -0.33 0.06 -0.15 0.00 -1.18 0.00 0.00 61.69 60.08 2cuh s THR 37 Cb 0.10 -0.07 -0.04 0.00 1.34 0.00 0.00 72.50 73.83 2cuh s THR 37 CO 0.47 0.02 0.38 -0.31 -0.54 0.00 0.00 174.62 174.64 2cuh s TYR 38 N 0.31 3.37 -0.39 3.99 2.02 0.99 -1.34 117.35 126.31 2cuh s TYR 38 Ca -0.02 0.59 -0.17 0.00 -0.37 0.00 0.00 57.07 57.09 2cuh s TYR 38 Cb -0.04 -2.50 0.01 0.00 -0.40 0.00 0.00 41.96 39.03 2cuh s TYR 38 CO -0.01 0.01 0.45 0.34 -1.57 0.00 0.00 175.55 174.77 2cuh s ASP 39 N 1.01 6.23 -0.08 2.29 2.15 0.30 -2.69 116.67 125.88 2cuh s ASP 39 Ca 0.18 -0.39 0.02 0.00 0.43 0.00 0.00 52.55 52.78 2cuh s ASP 39 Cb -0.15 -2.23 -0.02 0.00 -0.30 0.00 0.00 42.92 40.22 2cuh s ASP 39 CO 0.07 -0.52 -0.13 -0.63 -0.17 0.00 0.00 175.17 173.80 2cuh s ILE 40 N 2.22 3.16 -0.24 4.11 1.01 -1.19 0.15 121.20 130.42 2cuh s ILE 40 Ca 0.14 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 60.13 2cuh s ILE 40 Cb -0.16 -2.28 0.07 0.00 0.01 0.00 0.00 42.46 40.09 2cuh s ILE 40 CO 0.14 0.56 0.01 -1.58 0.00 0.00 0.00 174.94 174.07 2cuh s GLN 41 N -0.31 1.12 -0.28 2.79 0.74 0.12 -3.76 119.66 120.08 2cuh s GLN 41 Ca 0.03 -0.84 -0.10 0.00 0.05 0.00 0.00 55.36 54.50 2cuh s GLN 41 Cb -0.13 -2.34 -0.03 0.00 1.10 0.00 0.00 33.01 31.61 2cuh s GLN 41 CO 0.03 -0.69 0.14 0.08 -0.55 0.00 0.00 175.29 174.30 2cuh s VAL 42 N 1.58 4.79 0.08 1.34 1.01 -1.16 -1.43 120.40 126.61 2cuh s VAL 42 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 2cuh s VAL 42 Cb -0.18 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 2cuh s VAL 42 CO -0.10 0.21 -0.02 0.42 0.00 0.00 0.00 175.10 175.60 2cuh s THR 43 N 1.67 0.36 0.01 3.92 -4.23 -0.73 -0.80 115.64 115.84 2cuh s THR 43 Ca 0.06 -1.87 -0.28 0.00 -1.18 0.00 0.00 61.69 58.42 2cuh s THR 43 Cb -0.16 -1.68 0.08 0.00 1.34 0.00 0.00 72.50 72.08 2cuh s THR 43 CO 0.07 -0.85 0.74 0.00 -0.54 0.00 0.00 174.62 174.04 2cuh s ALA 44 N -3.84 -1.75 -0.75 3.99 0.00 -1.26 -1.44 121.76 116.70 2cuh s ALA 44 Ca 0.12 1.05 -0.26 0.00 0.00 0.00 0.00 51.96 52.88 2cuh s ALA 44 Cb 0.07 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2cuh s ALA 44 CO -0.06 -0.54 1.90 -1.25 0.00 0.00 0.00 175.76 175.81 2cuh s PRO 45 N -2.28 2.60 0.00 0.00 0.04 -1.26 -2.27 135.00 131.83 2cuh s PRO 45 Ca -0.03 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.18 2cuh s PRO 45 Cb -0.01 -4.71 0.00 0.00 0.04 0.00 0.00 34.50 29.82 2cuh s PRO 45 CO -0.01 -3.03 0.00 0.41 0.04 0.00 0.00 177.00 174.40 2cuh n GLY 46 N 6.25 1.65 3.10 0.56 0.00 -1.26 -5.06 105.19 110.43 2cuh n GLY 46 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.23 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 0.16 0.73 4.61 0.00 -0.96 -5.13 121.76 119.17 2cuh s ALA 47 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.02 2cuh s ALA 47 Cb 0.00 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.43 2cuh s ALA 47 CO 0.00 -0.34 1.10 -1.25 0.00 0.00 0.00 175.76 175.27 2cuh s PRO 48 N -3.11 2.46 0.45 0.00 0.04 -1.26 -4.48 135.00 129.09 2cuh s PRO 48 Ca -0.01 1.25 -0.23 0.00 0.04 0.00 0.00 61.00 62.05 2cuh s PRO 48 Cb 0.02 -1.92 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 2cuh s PRO 48 CO -0.07 -1.50 1.17 -1.25 0.04 0.00 0.00 177.00 175.39 2cuh s PRO 49 N -4.60 3.79 -0.21 0.56 0.04 -1.26 -4.70 135.00 128.62 2cuh s PRO 49 Ca 0.63 1.79 -0.03 0.00 0.04 0.00 0.00 61.00 63.43 2cuh s PRO 49 Cb -0.18 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 2cuh s PRO 49 CO 0.51 -0.53 -0.06 -1.17 0.04 0.00 0.00 177.00 175.79 2cuh s LEU 50 N -2.96 2.87 -0.19 -3.56 1.98 0.02 -5.01 118.68 111.83 2cuh s LEU 50 Ca 0.63 -0.38 0.00 0.00 -2.89 0.00 0.00 54.13 51.49 2cuh s LEU 50 Cb -0.29 -1.72 0.04 0.00 0.66 0.00 0.00 46.19 44.88 2cuh s LEU 50 CO 0.35 0.01 -0.08 -1.58 -1.89 0.00 0.00 176.35 173.16 2cuh s GLN 51 N 1.32 1.81 -0.15 1.98 -0.44 -1.26 -2.97 119.66 119.94 2cuh s GLN 51 Ca 0.04 -0.74 -0.20 0.00 -2.50 0.00 0.00 55.36 51.95 2cuh s GLN 51 Cb -0.14 -2.29 0.05 0.00 -1.64 0.00 0.00 33.01 28.98 2cuh s GLN 51 CO -0.03 -0.44 0.53 0.00 0.50 0.00 0.00 175.29 175.85 2cuh s ALA 52 N 1.47 -1.33 0.27 1.58 0.00 -1.25 -5.12 121.76 117.40 2cuh s ALA 52 Ca -0.01 1.32 0.11 0.00 0.00 0.00 0.00 51.96 53.38 2cuh s ALA 52 Cb -0.16 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.31 2cuh s ALA 52 CO -0.08 -0.28 -0.19 -2.00 0.00 0.00 0.00 175.76 173.21 2cuh s GLU 53 N -0.19 1.64 0.02 0.00 2.56 -1.26 -3.19 118.70 118.27 2cuh s GLU 53 Ca -0.04 -1.75 -0.08 0.00 0.00 0.00 0.00 54.97 53.10 2cuh s GLU 53 Cb -0.03 -1.69 0.00 0.00 2.00 0.00 0.00 34.13 34.41 2cuh s GLU 53 CO 0.03 0.31 0.16 -0.08 -0.56 0.00 0.00 175.26 175.12 2cuh s THR 54 N -2.57 0.10 0.53 -1.70 -1.32 -1.09 -4.97 115.64 104.62 2cuh s THR 54 Ca 0.29 -0.81 -0.20 0.00 -1.21 0.00 0.00 61.69 59.76 2cuh s THR 54 Cb -0.04 -0.67 -0.06 0.00 -1.51 0.00 0.00 72.50 70.21 2cuh s THR 54 CO 0.14 -0.45 1.13 -2.16 -2.21 0.00 0.00 174.62 171.08 2cuh s PRO 55 N -1.95 3.40 0.34 7.08 0.04 -1.26 -0.01 135.00 142.63 2cuh s PRO 55 Ca -0.10 1.63 0.22 0.00 0.04 0.00 0.00 61.00 62.79 2cuh s PRO 55 Cb -0.04 -2.05 1.20 0.00 0.04 0.00 0.00 34.50 33.64 2cuh s PRO 55 CO -0.01 -0.82 1.67 0.78 0.04 0.00 0.00 177.00 178.66 2cuh h GLY 56 N 1.29 0.00 -0.17 0.56 0.00 0.58 -0.84 103.07 104.49 2cuh h GLY 56 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2cuh h GLY 56 CO 0.57 0.00 0.00 -1.26 0.00 0.00 0.00 176.54 175.85 2cuh n SER 57 N -2.28 0.16 -4.68 0.19 2.88 -1.26 -4.70 113.62 103.93 2cuh n SER 57 Ca -0.01 -1.92 -0.25 0.00 -1.33 0.00 0.00 58.87 55.36 2cuh n SER 57 Cb 0.05 -0.08 -0.07 0.00 -0.75 0.00 0.00 64.21 63.36 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 -1.83 3.25 0.00 -1.46 0.00 -0.32 -5.03 121.76 116.37 2cuh s ALA 58 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.49 2cuh s ALA 58 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.15 2cuh s ALA 58 CO 0.00 0.38 0.07 1.33 0.00 0.00 0.00 175.76 177.54 2cuh n VAL 59 N -0.53 0.00 -3.65 0.00 0.24 -1.26 -4.97 118.33 108.16 2cuh n VAL 59 Ca -0.08 -0.35 -0.15 0.00 -2.04 0.00 0.00 64.34 61.71 2cuh n VAL 59 Cb 0.57 1.06 -0.07 0.00 -1.47 0.00 0.00 33.84 33.93 2cuh n VAL 59 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2cuh s ASP 60 N -0.56 -0.40 -0.31 -1.34 1.01 -1.26 -2.88 116.67 110.94 2cuh s ASP 60 Ca 0.00 0.34 -0.02 0.00 0.71 0.00 0.00 52.55 53.59 2cuh s ASP 60 Cb 0.00 0.42 0.10 0.00 1.01 0.00 0.00 42.92 44.45 2cuh s ASP 60 CO 0.00 -0.53 0.12 -0.47 0.21 0.00 0.00 175.17 174.49 2cuh s TYR 61 N -1.36 1.20 -0.15 4.23 6.14 -1.16 -4.97 117.35 121.27 2cuh s TYR 61 Ca -0.12 -1.45 -0.29 0.00 0.64 0.00 0.00 57.07 55.85 2cuh s TYR 61 Cb -0.03 -1.41 -0.03 0.00 0.42 0.00 0.00 41.96 40.91 2cuh s TYR 61 CO 0.06 -0.86 1.57 -1.25 0.64 0.00 0.00 175.55 175.71 2cuh s PRO 62 N 1.73 4.01 -0.09 4.97 0.04 -1.26 -2.92 135.00 141.48 2cuh s PRO 62 Ca 0.10 1.85 -0.17 0.00 0.04 0.00 0.00 61.00 62.83 2cuh s PRO 62 Cb -0.17 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.35 2cuh s PRO 62 CO -0.28 -1.03 0.44 -0.51 0.04 0.00 0.00 177.00 175.66 2cuh s LEU 63 N 4.48 4.33 0.34 -3.56 1.43 -0.95 -4.98 118.68 119.76 2cuh s LEU 63 Ca 0.69 0.83 0.09 0.00 -1.03 0.00 0.00 54.13 54.71 2cuh s LEU 63 Cb -0.27 -2.63 -0.06 0.00 0.03 0.00 0.00 46.19 43.26 2cuh s LEU 63 CO 0.27 0.11 -0.03 -1.38 0.23 0.00 0.00 176.35 175.54 2cuh s HIS 64 N 0.11 2.49 -0.55 0.29 -3.43 -1.26 -4.09 115.29 108.84 2cuh s HIS 64 Ca 0.24 -0.46 -0.01 0.00 -0.80 0.00 0.00 55.06 54.03 2cuh s HIS 64 Cb -0.15 -1.43 0.00 0.00 -1.43 0.00 0.00 32.58 29.56 2cuh s HIS 64 CO 0.10 0.53 0.46 -3.47 -2.00 0.00 0.00 174.74 170.36 2cuh n ASP 65 N -0.88 -2.53 -4.34 7.38 2.03 -1.26 -5.03 116.55 111.91 2cuh n ASP 65 Ca -0.05 -0.26 -0.35 0.00 0.52 0.00 0.00 54.79 54.65 2cuh n ASP 65 Cb 0.63 -2.53 -0.14 0.00 -0.72 0.00 0.00 41.12 38.36 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 -3.89 3.02 0.17 -2.67 1.43 -1.26 -5.07 118.68 110.41 2cuh s LEU 66 Ca 0.07 -0.34 -0.34 0.00 -1.03 0.00 0.00 54.13 52.49 2cuh s LEU 66 Cb -0.03 -1.78 -0.14 0.00 0.03 0.00 0.00 46.19 44.27 2cuh s LEU 66 CO 0.32 -0.02 1.54 0.52 0.23 0.00 0.00 176.35 178.94 2cuh n VAL 67 N 4.79 0.18 -1.91 -1.59 0.31 -1.26 -4.96 118.33 113.89 2cuh n VAL 67 Ca -0.18 -0.04 -0.31 0.00 -0.01 0.00 0.00 64.34 63.79 2cuh n VAL 67 Cb 0.51 -1.49 0.01 0.00 -0.91 0.00 0.00 33.84 31.96 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 0.73 3.32 -1.18 7.52 2.01 -1.26 -4.07 118.68 125.75 2cuh s LEU 68 Ca 0.77 1.56 -0.03 0.00 0.01 0.00 0.00 54.13 56.44 2cuh s LEU 68 Cb -0.69 -4.49 0.00 0.00 0.01 0.00 0.00 46.19 41.02 2cuh s LEU 68 CO 0.40 -1.02 1.00 1.41 1.01 0.00 0.00 176.35 179.16 2cuh n HIS 69 N -2.52 -2.29 -3.65 0.29 8.25 -1.26 -4.80 115.22 109.23 2cuh n HIS 69 Ca 0.07 0.91 -0.08 0.00 -0.26 0.00 0.00 57.72 58.36 2cuh n HIS 69 Cb 0.54 -4.88 -0.08 0.00 1.12 0.00 0.00 29.99 26.69 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 -3.33 -0.01 -0.35 1.59 2.01 -1.26 -4.97 115.64 109.33 2cuh s THR 70 Ca 0.19 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 2cuh s THR 70 Cb -0.08 -0.90 -0.00 0.00 0.01 0.00 0.00 72.50 71.52 2cuh s THR 70 CO 0.69 0.01 1.54 0.20 -0.69 0.00 0.00 174.62 176.36 2cuh s ASN 71 N 1.48 6.26 -0.15 3.53 -0.87 -1.26 -3.95 114.94 119.98 2cuh s ASN 71 Ca -0.09 1.11 -0.06 0.00 -1.57 0.00 0.00 52.86 52.25 2cuh s ASN 71 Cb -0.06 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.60 2cuh s ASN 71 CO -0.17 -1.45 0.05 -0.31 -2.57 0.00 0.00 177.10 172.66 2cuh s TYR 72 N 5.68 3.26 -0.27 2.20 1.51 -1.22 -4.62 117.35 123.89 2cuh s TYR 72 Ca 0.67 0.13 -0.10 0.00 -1.01 0.00 0.00 57.07 56.76 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 0.31 0.28 0.15 0.99 -1.11 0.00 0.00 175.55 176.17 2cuh s THR 73 N -0.06 4.98 -0.13 -0.71 2.01 -0.52 -3.86 115.64 117.36 2cuh s THR 73 Ca 0.06 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.10 2cuh s THR 73 Cb -0.12 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 2cuh s THR 73 CO 0.01 0.28 -0.09 0.00 -0.69 0.00 0.00 174.62 174.13 2cuh s ALA 74 N 1.71 2.80 -0.16 7.40 0.00 -1.15 -1.77 121.76 130.60 2cuh s ALA 74 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.17 2cuh s ALA 74 Cb -0.16 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.65 2cuh s ALA 74 CO 0.09 0.28 -0.15 0.99 0.00 0.00 0.00 175.76 176.96 2cuh s THR 75 N 0.20 1.67 0.00 0.00 2.01 -0.52 -1.38 115.64 117.63 2cuh s THR 75 Ca -0.05 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.24 2cuh s THR 75 Cb -0.15 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 2cuh s THR 75 CO 0.04 0.46 0.05 -0.69 -0.69 0.00 0.00 174.62 173.78 2cuh s VAL 76 N 1.45 4.46 0.18 3.82 1.01 0.53 0.13 120.40 131.98 2cuh s VAL 76 Ca 0.05 -0.53 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 2cuh s VAL 76 Cb -0.13 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2cuh s VAL 76 CO -0.11 0.34 0.09 -0.13 0.00 0.00 0.00 175.10 175.29 2cuh s ARG 77 N -1.72 1.13 -0.06 2.72 0.52 0.39 -0.24 118.95 121.69 2cuh s ARG 77 Ca 0.22 -1.57 0.06 0.00 -0.52 0.00 0.00 55.73 53.91 2cuh s ARG 77 Cb -0.12 0.16 -0.01 0.00 0.52 0.00 0.00 34.95 35.50 2cuh s ARG 77 CO 0.13 -0.32 -0.24 0.20 0.02 0.00 0.00 175.30 175.09 2cuh s GLY 78 N -3.14 1.25 -0.51 -3.53 0.00 -1.26 -0.54 107.32 99.59 2cuh s GLY 78 Ca 0.33 -0.99 -0.15 0.00 0.00 0.00 0.00 44.72 43.90 2cuh s GLY 78 CO 0.08 -0.58 0.44 1.08 0.00 0.00 0.00 173.10 174.13 2cuh s LEU 79 N -0.09 5.91 -0.43 0.66 2.01 -0.45 -1.70 118.68 124.58 2cuh s LEU 79 Ca -0.05 -1.59 0.03 0.00 0.01 0.00 0.00 54.13 52.54 2cuh s LEU 79 Cb -0.14 -2.19 0.12 0.00 0.01 0.00 0.00 46.19 43.99 2cuh s LEU 79 CO 0.04 -0.75 0.17 -0.13 1.01 0.00 0.00 176.35 176.69 2cuh s ARG 80 N 1.61 1.63 3.48 1.70 0.52 -1.18 -2.95 118.95 123.76 2cuh s ARG 80 Ca 0.04 -2.18 0.00 0.00 -0.52 0.00 0.00 55.73 53.06 2cuh s ARG 80 Cb -0.27 -3.06 0.00 0.00 0.52 0.00 0.00 34.95 32.13 2cuh s ARG 80 CO 0.04 -1.05 0.00 0.41 0.02 0.00 0.00 175.30 174.73 2cuh n GLY 81 N 3.68 0.61 0.00 -3.53 0.00 -1.26 -2.65 105.19 102.04 2cuh n GLY 81 Ca 0.05 -0.79 0.05 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.70 1.61 -0.04 -1.26 -4.74 135.00 126.36 2cuh n PRO 82 Ca 0.00 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.14 2cuh n PRO 82 Cb 0.00 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.06 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 -1.83 4.14 0.25 3.54 0.01 -1.08 -5.17 114.94 114.80 2cuh s ASN 83 Ca 0.15 -1.60 0.05 0.00 -0.71 0.00 0.00 52.86 50.75 2cuh s ASN 83 Cb 0.07 0.43 -0.05 0.00 0.41 0.00 0.00 41.25 42.10 2cuh s ASN 83 CO 0.12 -0.83 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.08 2cuh s LEU 84 N -3.88 2.35 0.53 0.60 1.43 -1.26 -3.07 118.68 115.37 2cuh s LEU 84 Ca 0.10 -1.20 0.09 0.00 -1.03 0.00 0.00 54.13 52.09 2cuh s LEU 84 Cb 0.02 -0.45 0.06 0.00 0.03 0.00 0.00 46.19 45.84 2cuh s LEU 84 CO 0.05 -0.42 0.65 0.42 0.23 0.00 0.00 176.35 177.29 2cuh s THR 85 N -3.21 2.23 -0.00 5.49 -4.23 -0.69 -4.90 115.64 110.32 2cuh s THR 85 Ca 0.28 -1.12 -0.30 0.00 -1.18 0.00 0.00 61.69 59.38 2cuh s THR 85 Cb 0.05 -2.35 -0.06 0.00 1.34 0.00 0.00 72.50 71.48 2cuh s THR 85 CO 0.10 0.00 1.48 -0.94 -0.54 0.00 0.00 174.62 174.72 2cuh s SER 86 N -4.50 6.78 0.29 3.99 1.04 -1.26 -4.54 113.70 115.49 2cuh s SER 86 Ca 0.55 2.18 -0.29 0.00 0.48 0.00 0.00 55.95 58.87 2cuh s SER 86 Cb -0.06 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.41 2cuh s SER 86 CO 0.34 -0.78 1.24 -2.16 0.98 0.00 0.00 173.24 172.86 2cuh s PRO 87 N 2.74 4.45 -0.20 4.02 0.04 -1.26 -4.52 135.00 140.27 2cuh s PRO 87 Ca 0.67 2.06 0.01 0.00 0.04 0.00 0.00 61.00 63.78 2cuh s PRO 87 Cb -0.33 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.12 2cuh s PRO 87 CO 0.27 -0.08 -0.13 0.00 0.04 0.00 0.00 177.00 177.11 2cuh s ALA 88 N -0.90 2.14 0.13 8.56 0.00 0.66 -4.96 121.76 127.39 2cuh s ALA 88 Ca 0.49 -1.26 0.05 0.00 0.00 0.00 0.00 51.96 51.25 2cuh s ALA 88 Cb -0.37 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 2cuh s ALA 88 CO 0.46 -0.73 0.04 0.45 0.00 0.00 0.00 175.76 175.99 2cuh s SER 89 N 1.34 5.13 -0.03 0.00 0.15 -1.26 -0.34 113.70 118.69 2cuh s SER 89 Ca -0.00 -0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.41 2cuh s SER 89 Cb -0.16 -1.24 0.01 0.00 -1.71 0.00 0.00 66.02 62.92 2cuh s SER 89 CO -0.09 0.12 0.08 -0.51 1.20 0.00 0.00 173.24 174.04 2cuh s ILE 90 N -1.56 -0.00 -0.34 6.45 1.10 -0.48 -4.99 121.20 121.39 2cuh s ILE 90 Ca 0.28 0.01 -0.06 0.00 -0.51 0.00 0.00 60.65 60.36 2cuh s ILE 90 Cb -0.11 -0.12 0.04 0.00 0.15 0.00 0.00 42.46 42.42 2cuh s ILE 90 CO 0.20 0.00 0.10 -0.89 -2.11 0.00 0.00 174.94 172.25 2cuh s THR 91 N 0.07 3.78 0.07 4.00 2.01 -1.26 -2.94 115.64 121.38 2cuh s THR 91 Ca -0.00 -1.13 0.02 0.00 0.31 0.00 0.00 61.69 60.89 2cuh s THR 91 Cb -0.01 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 2cuh s THR 91 CO -0.00 -0.18 -0.07 0.72 -0.69 0.00 0.00 174.62 174.40 2cuh s PHE 92 N 1.40 0.80 -0.13 4.92 -0.71 -1.25 -4.96 117.98 118.05 2cuh s PHE 92 Ca -0.02 -0.73 -0.08 0.00 -1.04 0.00 0.00 56.93 55.06 2cuh s PHE 92 Cb -0.19 -0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 41.10 2cuh s PHE 92 CO 0.03 -0.12 0.15 0.99 -1.34 0.00 0.00 175.22 174.93 2cuh s THR 93 N -2.65 5.48 -0.09 -4.49 2.01 -1.26 -3.39 115.64 111.25 2cuh s THR 93 Ca 0.02 0.23 -0.18 0.00 0.31 0.00 0.00 61.69 62.07 2cuh s THR 93 Cb -0.01 -3.42 -0.15 0.00 0.01 0.00 0.00 72.50 68.92 2cuh s THR 93 CO -0.03 0.59 0.61 0.71 -0.69 0.00 0.00 174.62 175.82 2cuh h THR 94 N 4.07 0.95 -3.31 -0.82 1.35 -1.86 -3.45 112.91 109.85 2cuh h THR 94 Ca -0.53 -1.51 -0.58 0.00 -0.55 0.00 0.00 66.41 63.24 2cuh h THR 94 Cb 1.22 1.73 -0.09 0.00 -1.73 0.00 0.00 68.15 69.27 2cuh h THR 94 CO 0.61 0.30 -0.26 -0.83 -0.25 0.00 0.00 175.52 175.08 2cuh s GLY 95 N -3.67 2.27 -0.06 5.82 0.00 -1.26 -4.18 107.32 106.24 2cuh s GLY 95 Ca -0.11 -0.36 0.10 0.00 0.00 0.00 0.00 44.72 44.34 2cuh s GLY 95 CO 0.42 0.55 1.16 -0.10 0.00 0.00 0.00 173.10 175.13 2cuh n LEU 96 N 3.62 2.58 -4.64 0.66 7.94 -1.26 -4.48 117.00 121.42 2cuh n LEU 96 Ca -0.10 -2.45 -0.43 0.00 -1.11 0.00 0.00 56.01 51.91 2cuh n LEU 96 Cb 0.52 -0.25 -0.03 0.00 0.53 0.00 0.00 43.42 44.19 2cuh n LEU 96 CO 0.41 0.63 1.68 1.21 -1.11 0.00 0.00 177.39 180.21 2cuh n GLU 97 N -0.54 2.44 -3.57 1.96 4.07 -1.26 -4.92 120.64 118.82 2cuh n GLU 97 Ca 0.10 0.83 -0.08 0.00 -0.06 0.00 0.00 57.16 57.95 2cuh n GLU 97 Cb 0.49 -3.03 -0.04 0.00 -0.06 0.00 0.00 31.44 28.81 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 5.80 -1.95 1.00 4.31 0.00 -1.26 -5.14 121.76 124.53 2cuh s ALA 98 Ca 0.94 1.47 0.00 0.00 0.00 0.00 0.00 51.96 54.37 2cuh s ALA 98 Cb -0.45 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.28 2cuh s ALA 98 CO 0.41 -0.45 0.00 -0.35 0.00 0.00 0.00 175.76 175.37 2cuh n PRO 99 N 0.31 0.10 -1.04 0.00 -0.04 -1.26 -4.79 135.00 128.28 2cuh n PRO 99 Ca -0.07 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.08 2cuh n PRO 99 Cb 0.59 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.03 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 -0.67 2.49 0.00 0.54 1.74 -1.26 -3.73 116.66 115.77 2cuh n ARG 100 Ca 0.00 -1.82 0.00 0.00 -0.77 0.00 0.00 57.85 55.26 2cuh n ARG 100 Cb 0.00 -2.69 0.00 0.00 -1.02 0.00 0.00 32.46 28.75 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 4.72 0.54 -0.32 0.55 2.03 -1.26 -4.82 116.55 117.98 2cuh n ASP 101 Ca 0.55 0.00 0.17 0.00 0.52 0.00 0.00 54.79 56.03 2cuh n ASP 101 Cb 0.22 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 40.96 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 0.00 -0.19-10.70 -2.67 3.38 -1.90 -3.40 115.31 99.82 2cuh h LEU 102 Ca 0.00 0.25 -0.46 0.00 0.09 0.00 0.00 57.88 57.76 2cuh h LEU 102 Cb 0.47 0.38 0.10 0.00 0.09 0.00 0.00 40.66 41.70 2cuh h LEU 102 CO 0.00 -0.31 0.20 -1.83 0.09 0.00 0.00 178.44 176.60 2cuh s GLU 103 N -5.90 1.54 -0.35 1.13 -1.05 -1.26 -5.04 118.70 107.77 2cuh s GLU 103 Ca -0.12 -0.77 0.08 0.00 -0.15 0.00 0.00 54.97 54.02 2cuh s GLU 103 Cb 0.29 -2.19 0.45 0.00 -0.44 0.00 0.00 34.13 32.24 2cuh s GLU 103 CO 0.78 -1.63 1.13 0.00 0.95 0.00 0.00 175.26 176.50 2cuh n ALA 104 N -3.07 4.72 -4.10 -0.84 0.00 -1.26 -4.96 120.51 110.99 2cuh n ALA 104 Ca 0.13 -3.86 -0.32 0.00 0.00 0.00 0.00 53.44 49.39 2cuh n ALA 104 Cb 0.60 -0.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 2cuh n ALA 104 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2cuh n LYS 105 N -0.56 -0.74 -1.40 0.00 3.00 -1.26 -4.63 118.16 112.57 2cuh n LYS 105 Ca 0.36 0.05 -0.53 0.00 -0.00 0.00 0.00 58.31 58.20 2cuh n LYS 105 Cb 0.82 -2.83 -0.08 0.00 0.00 0.00 0.00 35.03 32.94 2cuh n LYS 105 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2cuh n GLU 106 N -4.34 0.79 -5.20 1.64 -0.00 -1.26 -4.92 120.64 107.35 2cuh n GLU 106 Ca -0.23 0.21 -0.31 0.00 -0.00 0.00 0.00 57.16 56.83 2cuh n GLU 106 Cb 0.58 -2.22 -0.15 0.00 -0.00 0.00 0.00 31.44 29.65 2cuh n GLU 106 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2cuh s VAL 107 N 7.04 2.24 -0.04 3.84 1.01 -1.26 -5.12 120.40 128.12 2cuh s VAL 107 Ca 1.12 -1.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 2cuh s VAL 107 Cb -1.02 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 2cuh s VAL 107 CO 0.53 0.56 0.50 0.28 0.00 0.00 0.00 175.10 176.97 2cuh s THR 108 N -0.65 5.03 0.42 3.92 -1.32 -1.26 -5.06 115.64 116.71 2cuh s THR 108 Ca 0.10 1.02 -0.25 0.00 -1.21 0.00 0.00 61.69 61.36 2cuh s THR 108 Cb -0.10 -3.83 -0.08 0.00 -1.51 0.00 0.00 72.50 66.98 2cuh s THR 108 CO -0.00 0.44 1.18 -2.16 -2.21 0.00 0.00 174.62 171.87 2cuh s PRO 109 N -0.23 3.96 0.86 7.08 0.04 -1.26 -5.04 135.00 140.41 2cuh s PRO 109 Ca 0.27 1.86 -0.13 0.00 0.04 0.00 0.00 61.00 63.04 2cuh s PRO 109 Cb -0.17 -2.61 0.12 0.00 0.04 0.00 0.00 34.50 31.88 2cuh s PRO 109 CO 0.14 -0.41 1.22 0.45 0.04 0.00 0.00 177.00 178.44 2cuh s SER 110 N -1.15 4.07 -0.81 6.66 0.15 -1.26 -5.03 113.70 116.33 2cuh s SER 110 Ca 0.59 0.63 -0.02 0.00 0.70 0.00 0.00 55.95 57.85 2cuh s SER 110 Cb -0.31 -0.98 0.20 0.00 -1.71 0.00 0.00 66.02 63.22 2cuh s SER 110 CO 0.39 -2.16 0.68 -0.83 1.20 0.00 0.00 173.24 172.51 2cuh s GLY 111 N -4.67 2.91 0.61 9.45 0.00 -1.26 -5.08 107.32 109.28 2cuh s GLY 111 Ca 0.66 -3.67 -0.17 0.00 0.00 0.00 0.00 44.72 41.54 2cuh s GLY 111 CO 0.50 1.17 1.12 2.56 0.00 0.00 0.00 173.10 178.45 2cuh s PRO 112 N -0.97 3.04 -0.02 2.90 0.04 -1.26 -5.06 135.00 133.67 2cuh s PRO 112 Ca 0.24 1.49 0.05 0.00 0.04 0.00 0.00 61.00 62.82 2cuh s PRO 112 Cb -0.11 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 2cuh s PRO 112 CO -0.10 -1.08 -0.17 -1.54 0.04 0.00 0.00 177.00 174.15 2cuh s SER 113 N -2.23 2.02 0.32 6.66 1.04 -1.26 -5.15 113.70 115.10 2cuh s SER 113 Ca 0.69 -0.31 0.10 0.00 0.48 0.00 0.00 55.95 56.91 2cuh s SER 113 Cb -0.22 -0.28 -0.05 0.00 0.10 0.00 0.00 66.02 65.56 2cuh s SER 113 CO 0.35 0.20 -0.05 -0.55 0.98 0.00 0.00 173.24 174.18 2cuh s SER 114 N -0.33 4.03 0.00 7.02 0.15 -1.26 -5.35 113.70 117.96 2cuh s SER 114 Ca 0.05 -1.01 0.12 0.00 0.70 0.00 0.00 55.95 55.81 2cuh s SER 114 Cb -0.07 -0.49 0.10 0.00 -1.71 0.00 0.00 66.02 63.84 2cuh s SER 114 CO -0.00 -0.16 0.88 0.61 1.20 0.00 0.00 173.24 175.77