#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 6.75 -0.12 1.61 0.01 -1.26 -4.79 113.70 115.89 2cuh s SER 2 Ca 0.00 -2.62 -0.10 0.00 1.31 0.00 0.00 55.95 54.55 2cuh s SER 2 Cb 0.00 -2.23 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 2cuh s SER 2 CO 0.00 -0.62 -0.21 -1.54 0.41 0.00 0.00 173.24 171.27 2cuh n SER 3 N 4.24 1.38 0.00 2.44 3.41 -1.26 -5.09 113.62 118.74 2cuh n SER 3 Ca 0.14 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2cuh n SER 3 Cb 0.47 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 2cuh n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cuh n GLY 4 N 2.11 -0.32 3.53 5.00 0.00 -1.26 -5.09 105.19 109.16 2cuh n GLY 4 Ca -0.21 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2cuh n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cuh s SER 5 N 1.43 6.27 -0.06 1.61 0.15 -1.26 -5.05 113.70 116.79 2cuh s SER 5 Ca 0.00 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.40 2cuh s SER 5 Cb 0.00 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2cuh s SER 5 CO 0.00 -0.54 -0.16 -0.44 1.20 0.00 0.00 173.24 173.29 2cuh s SER 6 N 1.81 2.13 0.41 5.45 0.01 -1.26 -5.12 113.70 117.13 2cuh s SER 6 Ca 0.17 -0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.10 2cuh s SER 6 Cb -0.16 -0.78 -0.03 0.00 0.21 0.00 0.00 66.02 65.26 2cuh s SER 6 CO 0.14 0.11 0.12 -0.83 0.41 0.00 0.00 173.24 173.19 2cuh s GLY 7 N 0.30 2.61 0.00 3.44 0.00 -1.26 -5.16 107.32 107.25 2cuh s GLY 7 Ca -0.10 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2cuh s GLY 7 CO 0.04 -1.85 0.00 -1.55 0.00 0.00 0.00 173.10 169.73 2cuh n PRO 8 N -0.92 -0.49 -0.01 2.90 -0.04 -1.26 -5.00 135.00 130.18 2cuh n PRO 8 Ca -0.07 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.41 2cuh n PRO 8 Cb 0.65 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.13 2cuh n PRO 8 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2cuh n ASP 9 N -2.20 1.42 -1.20 3.54 5.68 -1.26 -5.02 116.55 117.50 2cuh n ASP 9 Ca 0.00 -1.30 0.00 0.00 -0.50 0.00 0.00 54.79 52.99 2cuh n ASP 9 Cb 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 2cuh n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2cuh n GLY 10 N 0.03 4.18 3.72 6.12 0.00 -1.26 -4.72 105.19 113.25 2cuh n GLY 10 Ca 0.02 -2.12 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.49 4.34 0.38 1.61 0.04 -1.26 -4.56 135.00 135.06 2cuh s PRO 11 Ca 0.00 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.14 2cuh s PRO 11 Cb 0.00 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 2cuh s PRO 11 CO 0.00 -0.39 0.21 0.95 0.04 0.00 0.00 177.00 177.81 2cuh s THR 12 N 0.96 0.26 -1.41 1.26 -4.23 -1.24 -4.49 115.64 106.75 2cuh s THR 12 Ca 0.63 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 59.05 2cuh s THR 12 Cb -0.36 -2.39 0.06 0.00 1.34 0.00 0.00 72.50 71.15 2cuh s THR 12 CO 0.31 0.00 0.62 0.00 -0.54 0.00 0.00 174.62 175.01 2cuh n GLN 13 N -0.80 -4.22 -1.68 3.99 1.13 -1.26 -2.20 117.38 112.35 2cuh n GLN 13 Ca 0.01 0.62 -0.44 0.00 -1.94 0.00 0.00 57.00 55.24 2cuh n GLN 13 Cb 0.63 -5.40 -0.04 0.00 0.11 0.00 0.00 30.24 25.54 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 -3.99 3.78 -4.47 1.08 7.94 -1.26 -4.61 117.00 115.47 2cuh n LEU 14 Ca -0.03 1.00 -0.29 0.00 -1.11 0.00 0.00 56.01 55.58 2cuh n LEU 14 Cb 0.56 -1.49 -0.12 0.00 0.53 0.00 0.00 43.42 42.90 2cuh n LEU 14 CO 0.55 0.06 -0.50 -0.60 -1.11 0.00 0.00 177.39 175.78 2cuh s ARG 15 N 2.76 1.70 -0.42 1.96 6.06 -0.95 -5.01 118.95 125.04 2cuh s ARG 15 Ca 0.84 -1.26 -0.10 0.00 -2.50 0.00 0.00 55.73 52.71 2cuh s ARG 15 Cb -0.55 -2.05 0.08 0.00 0.06 0.00 0.00 34.95 32.49 2cuh s ARG 15 CO 0.40 0.46 0.27 0.00 -2.50 0.00 0.00 175.30 173.93 2cuh s ALA 16 N -1.23 3.30 0.95 6.12 0.00 -1.26 -3.87 121.76 125.77 2cuh s ALA 16 Ca 0.18 -2.14 -0.13 0.00 0.00 0.00 0.00 51.96 49.87 2cuh s ALA 16 Cb -0.10 -2.67 0.16 0.00 0.00 0.00 0.00 23.12 20.51 2cuh s ALA 16 CO 0.10 -1.65 1.14 -0.51 0.00 0.00 0.00 175.76 174.84 2cuh s LEU 17 N 1.44 1.89 -0.32 0.00 1.02 -1.26 -4.94 118.68 116.50 2cuh s LEU 17 Ca 0.03 0.91 -0.29 0.00 0.02 0.00 0.00 54.13 54.80 2cuh s LEU 17 Cb -0.23 -3.14 -0.01 0.00 0.02 0.00 0.00 46.19 42.83 2cuh s LEU 17 CO 0.02 -2.78 1.61 0.54 0.02 0.00 0.00 176.35 175.77 2cuh s ASN 18 N -4.01 6.19 0.46 2.29 2.20 -1.26 -4.97 114.94 115.84 2cuh s ASN 18 Ca 0.65 1.25 -0.25 0.00 -0.94 0.00 0.00 52.86 53.58 2cuh s ASN 18 Cb -0.14 -2.53 -0.08 0.00 -2.00 0.00 0.00 41.25 36.50 2cuh s ASN 18 CO 0.54 -1.47 1.35 -0.76 -2.94 0.00 0.00 177.10 173.82 2cuh s LEU 19 N 5.88 4.08 0.00 3.54 2.01 -1.26 -5.03 118.68 127.90 2cuh s LEU 19 Ca 0.71 2.76 -0.02 0.00 0.01 0.00 0.00 54.13 57.59 2cuh s LEU 19 Cb -0.20 -4.02 0.08 0.00 0.01 0.00 0.00 46.19 42.05 2cuh s LEU 19 CO 0.32 -1.14 0.51 0.35 1.01 0.00 0.00 176.35 177.39 2cuh n THR 20 N -0.30 0.00 -0.18 5.49 -2.24 -1.24 -4.94 114.28 110.87 2cuh n THR 20 Ca 0.06 -0.69 -0.05 0.00 -2.27 0.00 0.00 64.05 61.11 2cuh n THR 20 Cb 0.44 -1.28 -0.04 0.00 -2.10 0.00 0.00 70.33 67.34 2cuh n THR 20 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2cuh n GLU 21 N -1.98 -0.19 -2.84 -0.78 2.13 -1.26 -3.69 120.64 112.04 2cuh n GLU 21 Ca 0.08 0.89 -0.11 0.00 0.66 0.00 0.00 57.16 58.68 2cuh n GLU 21 Cb 0.28 -1.32 0.05 0.00 0.27 0.00 0.00 31.44 30.72 2cuh n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2cuh n GLY 22 N -1.11 1.81 2.60 8.31 0.00 -1.26 -4.73 105.19 110.81 2cuh n GLY 22 Ca 0.01 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.25 0.22 -0.24 1.61 5.36 -1.24 -4.91 117.98 117.52 2cuh s PHE 23 Ca 0.28 -0.43 -0.10 0.00 -0.96 0.00 0.00 56.93 55.72 2cuh s PHE 23 Cb 0.37 -0.73 -0.05 0.00 -0.34 0.00 0.00 43.02 42.26 2cuh s PHE 23 CO -0.05 -0.58 0.16 0.00 -1.46 0.00 0.00 175.22 173.29 2cuh s ALA 24 N 2.13 3.60 0.17 11.12 0.00 -1.17 -3.62 121.76 133.99 2cuh s ALA 24 Ca 0.03 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2cuh s ALA 24 Cb -0.16 -2.31 -0.05 0.00 0.00 0.00 0.00 23.12 20.60 2cuh s ALA 24 CO -0.15 -0.20 0.00 0.14 0.00 0.00 0.00 175.76 175.56 2cuh s VAL 25 N 1.06 0.65 0.30 0.00 -7.23 -1.26 0.16 120.40 114.09 2cuh s VAL 25 Ca 0.07 -1.98 0.09 0.00 -1.81 0.00 0.00 61.98 58.36 2cuh s VAL 25 Cb -0.14 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 2cuh s VAL 25 CO 0.04 -0.48 0.03 -0.76 -0.31 0.00 0.00 175.10 173.63 2cuh s LEU 26 N -3.17 3.15 -0.08 1.32 1.43 -1.19 -4.81 118.68 115.33 2cuh s LEU 26 Ca 0.24 -0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 2cuh s LEU 26 Cb 0.06 -1.62 0.04 0.00 0.03 0.00 0.00 46.19 44.70 2cuh s LEU 26 CO 0.04 -0.13 0.14 -2.28 0.23 0.00 0.00 176.35 174.35 2cuh s HIS 27 N -2.40 -0.14 0.12 0.29 2.46 -1.25 -3.76 115.29 110.61 2cuh s HIS 27 Ca 0.34 0.55 0.06 0.00 0.47 0.00 0.00 55.06 56.48 2cuh s HIS 27 Cb -0.04 -0.30 -0.04 0.00 -0.13 0.00 0.00 32.58 32.08 2cuh s HIS 27 CO 0.20 -0.26 -0.15 1.67 -2.47 0.00 0.00 174.74 173.74 2cuh s TRP 28 N 2.27 1.42 -0.23 3.88 -2.14 -1.25 -2.25 118.94 120.65 2cuh s TRP 28 Ca 0.03 -0.53 -0.18 0.00 2.66 0.00 0.00 56.10 58.08 2cuh s TRP 28 Cb -0.12 -0.75 -0.03 0.00 -3.10 0.00 0.00 33.47 29.47 2cuh s TRP 28 CO -0.05 0.15 0.51 0.21 -2.66 0.00 0.00 176.95 175.10 2cuh s LYS 29 N -2.54 4.13 -0.24 3.25 2.20 -0.93 -4.89 119.74 120.71 2cuh s LYS 29 Ca 0.08 0.36 -0.29 0.00 -0.36 0.00 0.00 55.97 55.76 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 -0.24 1.63 -1.25 -0.36 0.00 0.00 175.35 175.16 2cuh s PRO 30 N 1.95 3.72 0.60 4.03 0.04 -1.26 -3.70 135.00 140.39 2cuh s PRO 30 Ca 0.22 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 62.69 2cuh s PRO 30 Cb -0.15 -4.06 -0.03 0.00 0.04 0.00 0.00 34.50 30.30 2cuh s PRO 30 CO 0.09 -1.39 1.12 -1.25 0.04 0.00 0.00 177.00 175.62 2cuh s PRO 31 N 4.82 3.07 0.27 0.56 0.04 -1.26 -4.87 135.00 137.63 2cuh s PRO 31 Ca 0.72 1.49 0.16 0.00 0.04 0.00 0.00 61.00 63.41 2cuh s PRO 31 Cb -0.24 -1.98 0.98 0.00 0.04 0.00 0.00 34.50 33.31 2cuh s PRO 31 CO 0.30 -1.06 1.15 0.94 0.04 0.00 0.00 177.00 178.37 2cuh n GLN 32 N -1.89 -0.04 -3.31 4.56 0.00 -1.26 -3.08 117.38 112.37 2cuh n GLN 32 Ca 0.11 1.00 -0.46 0.00 -0.00 0.00 0.00 57.00 57.65 2cuh n GLN 32 Cb 0.51 -1.80 -0.05 0.00 0.00 0.00 0.00 30.24 28.90 2cuh n GLN 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2cuh s ASN 33 N -4.64 6.18 -0.31 1.69 4.22 -1.26 -5.03 114.94 115.79 2cuh s ASN 33 Ca -0.06 -1.68 -0.29 0.00 -2.14 0.00 0.00 52.86 48.69 2cuh s ASN 33 Cb 0.25 -2.21 -0.02 0.00 1.28 0.00 0.00 41.25 40.55 2cuh s ASN 33 CO 0.57 -0.84 1.68 -2.16 -2.04 0.00 0.00 177.10 174.30 2cuh s PRO 34 N 1.70 3.52 0.74 3.55 0.04 -1.18 -4.89 135.00 138.47 2cuh s PRO 34 Ca 0.04 1.41 -0.12 0.00 0.04 0.00 0.00 61.00 62.37 2cuh s PRO 34 Cb -0.29 -4.12 0.19 0.00 0.04 0.00 0.00 34.50 30.33 2cuh s PRO 34 CO 0.04 -1.64 0.45 1.33 0.04 0.00 0.00 177.00 177.22 2cuh n VAL 35 N 7.07 0.00 -0.09 -0.36 0.24 -1.26 -5.01 118.33 118.92 2cuh n VAL 35 Ca 0.21 -0.02 -0.13 0.00 -2.04 0.00 0.00 64.34 62.36 2cuh n VAL 35 Cb 0.46 -0.54 -0.05 0.00 -1.47 0.00 0.00 33.84 32.24 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 -4.41 1.87 -3.88 -1.34 2.03 -1.14 -4.22 116.55 105.46 2cuh n ASP 36 Ca 0.07 0.47 -0.12 0.00 0.52 0.00 0.00 54.79 55.73 2cuh n ASP 36 Cb 0.30 -0.85 -0.14 0.00 -0.72 0.00 0.00 41.12 39.72 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 -2.48 0.01 -0.17 5.18 -4.23 -1.25 0.15 115.64 112.86 2cuh s THR 37 Ca -0.25 -0.11 -0.14 0.00 -1.18 0.00 0.00 61.69 60.02 2cuh s THR 37 Cb 0.05 -0.06 -0.05 0.00 1.34 0.00 0.00 72.50 73.79 2cuh s THR 37 CO 0.39 -0.06 0.29 -0.31 -0.54 0.00 0.00 174.62 174.39 2cuh s TYR 38 N -0.17 3.45 -0.47 3.99 2.02 0.92 -0.93 117.35 126.17 2cuh s TYR 38 Ca -0.02 0.58 -0.17 0.00 -0.37 0.00 0.00 57.07 57.09 2cuh s TYR 38 Cb -0.01 -2.35 0.06 0.00 -0.40 0.00 0.00 41.96 39.26 2cuh s TYR 38 CO -0.00 0.22 0.49 0.34 -1.57 0.00 0.00 175.55 175.03 2cuh s ASP 39 N 0.52 6.19 -0.13 2.29 -1.08 -0.38 -2.97 116.67 121.10 2cuh s ASP 39 Ca 0.16 -1.02 -0.04 0.00 -0.52 0.00 0.00 52.55 51.13 2cuh s ASP 39 Cb -0.13 -2.23 -0.04 0.00 -1.46 0.00 0.00 42.92 39.06 2cuh s ASP 39 CO 0.04 -0.72 0.04 -0.63 0.52 0.00 0.00 175.17 174.41 2cuh s ILE 40 N 2.13 4.59 -0.18 4.11 1.09 -1.18 -0.25 121.20 131.51 2cuh s ILE 40 Ca 0.10 -0.13 -0.01 0.00 -1.10 0.00 0.00 60.65 59.52 2cuh s ILE 40 Cb -0.21 -2.99 0.05 0.00 -1.06 0.00 0.00 42.46 38.25 2cuh s ILE 40 CO 0.10 0.56 -0.04 -1.58 -0.10 0.00 0.00 174.94 173.88 2cuh s GLN 41 N -0.42 1.34 -0.25 2.79 2.00 -0.09 -3.10 119.66 121.92 2cuh s GLN 41 Ca 0.09 -0.58 -0.11 0.00 -2.00 0.00 0.00 55.36 52.76 2cuh s GLN 41 Cb -0.12 -2.11 -0.05 0.00 0.80 0.00 0.00 33.01 31.53 2cuh s GLN 41 CO 0.02 -0.49 0.19 0.08 -0.50 0.00 0.00 175.29 174.59 2cuh s VAL 42 N 1.63 5.33 0.20 1.34 1.01 -0.94 -2.10 120.40 126.87 2cuh s VAL 42 Ca -0.01 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2cuh s VAL 42 Cb -0.16 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2cuh s VAL 42 CO -0.07 0.30 0.14 0.42 0.00 0.00 0.00 175.10 175.89 2cuh s THR 43 N 1.35 0.00 -0.23 3.92 -4.23 -0.99 -1.92 115.64 113.54 2cuh s THR 43 Ca 0.08 -1.98 -0.30 0.00 -1.18 0.00 0.00 61.69 58.31 2cuh s THR 43 Cb -0.14 -2.49 0.16 0.00 1.34 0.00 0.00 72.50 71.37 2cuh s THR 43 CO 0.07 0.00 1.21 0.00 -0.54 0.00 0.00 174.62 175.36 2cuh s ALA 44 N -4.14 -2.04 -1.05 3.99 0.00 -1.26 -1.80 121.76 115.45 2cuh s ALA 44 Ca 0.38 1.74 -0.24 0.00 0.00 0.00 0.00 51.96 53.85 2cuh s ALA 44 Cb 0.07 -1.04 -0.07 0.00 0.00 0.00 0.00 23.12 22.08 2cuh s ALA 44 CO 0.12 -0.31 1.94 -1.25 0.00 0.00 0.00 175.76 176.26 2cuh s PRO 45 N -1.24 2.51 0.00 0.00 0.04 -1.26 -2.34 135.00 132.72 2cuh s PRO 45 Ca 0.05 -0.75 0.00 0.00 0.04 0.00 0.00 61.00 60.34 2cuh s PRO 45 Cb -0.01 -5.16 0.00 0.00 0.04 0.00 0.00 34.50 29.38 2cuh s PRO 45 CO -0.04 -3.71 0.00 0.41 0.04 0.00 0.00 177.00 173.70 2cuh n GLY 46 N 6.31 1.90 3.12 0.56 0.00 -1.26 -5.08 105.19 110.74 2cuh n GLY 46 Ca 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.90 -0.21 0.47 4.61 0.00 -0.99 -5.15 121.76 118.59 2cuh s ALA 47 Ca 0.00 -0.36 -0.22 0.00 0.00 0.00 0.00 51.96 51.38 2cuh s ALA 47 Cb 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 23.12 23.26 2cuh s ALA 47 CO 0.00 -0.29 1.16 -1.25 0.00 0.00 0.00 175.76 175.38 2cuh s PRO 48 N -2.19 3.70 0.43 0.00 0.04 -1.26 -4.49 135.00 131.23 2cuh s PRO 48 Ca -0.08 1.74 -0.24 0.00 0.04 0.00 0.00 61.00 62.46 2cuh s PRO 48 Cb -0.03 -2.34 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 2cuh s PRO 48 CO -0.02 -0.60 1.18 -1.25 0.04 0.00 0.00 177.00 176.35 2cuh s PRO 49 N -2.79 3.92 -0.06 0.56 0.04 -1.26 -4.83 135.00 130.58 2cuh s PRO 49 Ca 0.65 1.83 0.02 0.00 0.04 0.00 0.00 61.00 63.55 2cuh s PRO 49 Cb -0.28 -2.57 0.01 0.00 0.04 0.00 0.00 34.50 31.71 2cuh s PRO 49 CO 0.33 -0.43 -0.11 -1.17 0.04 0.00 0.00 177.00 175.65 2cuh s LEU 50 N -2.72 1.62 -0.08 -3.56 2.96 -0.81 -5.03 118.68 111.06 2cuh s LEU 50 Ca 0.60 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.27 2cuh s LEU 50 Cb -0.30 -0.79 0.00 0.00 0.50 0.00 0.00 46.19 45.60 2cuh s LEU 50 CO 0.38 0.03 -0.21 -1.58 -1.32 0.00 0.00 176.35 173.64 2cuh s GLN 51 N 0.68 2.59 0.21 1.98 2.00 -1.26 -2.22 119.66 123.63 2cuh s GLN 51 Ca -0.14 -0.75 -0.09 0.00 -2.00 0.00 0.00 55.36 52.37 2cuh s GLN 51 Cb -0.16 -2.02 -0.01 0.00 0.80 0.00 0.00 33.01 31.62 2cuh s GLN 51 CO 0.03 0.17 0.34 0.00 -0.50 0.00 0.00 175.29 175.34 2cuh s ALA 52 N 0.34 0.11 0.08 1.58 0.00 -1.18 -5.09 121.76 117.61 2cuh s ALA 52 Ca -0.15 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.70 2cuh s ALA 52 Cb -0.17 1.06 -0.01 0.00 0.00 0.00 0.00 23.12 24.01 2cuh s ALA 52 CO 0.07 -0.73 0.16 -2.00 0.00 0.00 0.00 175.76 173.26 2cuh s GLU 53 N -4.03 0.80 -0.13 0.00 2.56 -1.26 -3.10 118.70 113.54 2cuh s GLU 53 Ca 0.24 -0.95 -0.25 0.00 0.00 0.00 0.00 54.97 54.00 2cuh s GLU 53 Cb 0.02 0.32 0.06 0.00 2.00 0.00 0.00 34.13 36.53 2cuh s GLU 53 CO 0.06 -0.24 0.61 -0.08 -0.56 0.00 0.00 175.26 175.05 2cuh s THR 54 N -3.72 0.01 0.49 -1.70 -1.32 -1.16 -4.97 115.64 103.26 2cuh s THR 54 Ca 0.04 -0.06 -0.22 0.00 -1.21 0.00 0.00 61.69 60.24 2cuh s THR 54 Cb 0.05 -0.89 -0.07 0.00 -1.51 0.00 0.00 72.50 70.07 2cuh s THR 54 CO -0.10 -0.04 1.15 -2.16 -2.21 0.00 0.00 174.62 171.27 2cuh s PRO 55 N -0.55 3.62 0.34 7.08 0.04 -1.26 -0.05 135.00 144.22 2cuh s PRO 55 Ca -0.07 1.72 0.12 0.00 0.04 0.00 0.00 61.00 62.81 2cuh s PRO 55 Cb -0.03 -2.27 0.96 0.00 0.04 0.00 0.00 34.50 33.21 2cuh s PRO 55 CO 0.05 -0.65 1.73 0.78 0.04 0.00 0.00 177.00 178.95 2cuh h GLY 56 N 1.76 1.80 -0.42 0.56 0.00 -0.46 0.18 103.07 106.49 2cuh h GLY 56 Ca -0.50 -0.28 0.24 0.00 0.00 0.00 0.00 47.33 46.79 2cuh h GLY 56 CO 0.59 -0.26 0.98 1.76 0.00 0.00 0.00 176.54 179.61 2cuh h SER 57 N 0.51 0.00 -3.09 0.19 0.02 -1.86 -3.37 113.55 105.94 2cuh h SER 57 Ca 0.65 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 61.00 2cuh h SER 57 Cb 1.36 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.84 2cuh h SER 57 CO -0.46 0.00 -0.20 0.00 -1.14 0.00 0.00 176.83 175.03 2cuh s ALA 58 N -4.47 3.65 -0.19 3.77 0.00 0.64 -4.98 121.76 120.19 2cuh s ALA 58 Ca -0.03 -0.24 0.16 0.00 0.00 0.00 0.00 51.96 51.85 2cuh s ALA 58 Cb 0.14 -2.43 0.45 0.00 0.00 0.00 0.00 23.12 21.28 2cuh s ALA 58 CO 0.47 0.36 1.34 1.33 0.00 0.00 0.00 175.76 179.26 2cuh n VAL 59 N 2.30 2.22 -3.62 0.00 0.24 -1.26 -4.92 118.33 113.29 2cuh n VAL 59 Ca -0.13 -2.23 -0.09 0.00 -2.04 0.00 0.00 64.34 59.86 2cuh n VAL 59 Cb 0.52 -0.26 -0.06 0.00 -1.47 0.00 0.00 33.84 32.57 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 -2.40 -0.35 -0.35 -1.34 -4.77 -1.26 -3.83 116.67 102.38 2cuh s ASP 60 Ca 0.39 0.55 0.00 0.00 -3.30 0.00 0.00 52.55 50.20 2cuh s ASP 60 Cb 0.34 0.51 0.11 0.00 -1.09 0.00 0.00 42.92 42.79 2cuh s ASP 60 CO 0.05 -0.20 0.14 -0.47 0.70 0.00 0.00 175.17 175.39 2cuh s TYR 61 N -0.40 1.77 -0.45 2.11 5.04 -1.25 -4.96 117.35 119.22 2cuh s TYR 61 Ca 0.02 -1.96 -0.28 0.00 -2.44 0.00 0.00 57.07 52.42 2cuh s TYR 61 Cb -0.03 -1.75 -0.02 0.00 0.35 0.00 0.00 41.96 40.52 2cuh s TYR 61 CO -0.04 -0.85 1.76 -1.25 -1.34 0.00 0.00 175.55 173.83 2cuh s PRO 62 N 1.21 3.11 -0.06 4.97 0.04 -1.26 -3.19 135.00 139.81 2cuh s PRO 62 Ca 0.13 1.05 -0.20 0.00 0.04 0.00 0.00 61.00 62.02 2cuh s PRO 62 Cb -0.20 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.06 2cuh s PRO 62 CO -0.16 -2.14 0.58 -0.51 0.04 0.00 0.00 177.00 174.82 2cuh s LEU 63 N 7.48 4.34 0.43 -3.56 1.43 0.42 -4.92 118.68 124.29 2cuh s LEU 63 Ca 0.72 1.05 0.07 0.00 -1.03 0.00 0.00 54.13 54.94 2cuh s LEU 63 Cb -0.17 -2.89 -0.06 0.00 0.03 0.00 0.00 46.19 43.10 2cuh s LEU 63 CO 0.29 0.01 0.11 -1.38 0.23 0.00 0.00 176.35 175.60 2cuh s HIS 64 N 0.36 2.46 -0.65 0.29 -3.43 -1.26 -3.02 115.29 110.04 2cuh s HIS 64 Ca 0.31 -0.67 -0.01 0.00 -0.80 0.00 0.00 55.06 53.90 2cuh s HIS 64 Cb -0.17 -1.86 -0.01 0.00 -1.43 0.00 0.00 32.58 29.12 2cuh s HIS 64 CO 0.15 0.26 0.54 -3.47 -2.00 0.00 0.00 174.74 170.23 2cuh n ASP 65 N -1.16 -2.47 -4.32 7.38 2.03 -1.26 -5.04 116.55 111.71 2cuh n ASP 65 Ca -0.04 -0.35 -0.33 0.00 0.52 0.00 0.00 54.79 54.59 2cuh n ASP 65 Cb 0.66 -3.06 -0.15 0.00 -0.72 0.00 0.00 41.12 37.85 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 -4.39 2.58 0.27 -2.67 1.43 -1.26 -5.09 118.68 109.56 2cuh s LEU 66 Ca 0.04 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.44 2cuh s LEU 66 Cb -0.01 -1.58 -0.11 0.00 0.03 0.00 0.00 46.19 44.52 2cuh s LEU 66 CO 0.40 0.13 1.61 -0.69 0.23 0.00 0.00 176.35 178.04 2cuh s VAL 67 N 0.56 2.08 0.46 -1.59 1.01 -1.26 -4.98 120.40 116.68 2cuh s VAL 67 Ca -0.09 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 2cuh s VAL 67 Cb -0.16 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.09 2cuh s VAL 67 CO 0.04 0.01 0.92 -0.76 0.00 0.00 0.00 175.10 175.31 2cuh s LEU 68 N -0.16 3.79 -0.93 3.92 2.01 -1.26 -4.04 118.68 122.01 2cuh s LEU 68 Ca 0.65 1.52 -0.05 0.00 0.01 0.00 0.00 54.13 56.27 2cuh s LEU 68 Cb -0.48 -4.42 0.01 0.00 0.01 0.00 0.00 46.19 41.31 2cuh s LEU 68 CO 0.45 -0.46 0.80 1.41 1.01 0.00 0.00 176.35 179.56 2cuh n HIS 69 N -1.14 -1.93 -3.69 0.29 8.25 -1.07 -5.01 115.22 110.92 2cuh n HIS 69 Ca 0.06 0.70 -0.10 0.00 -0.26 0.00 0.00 57.72 58.12 2cuh n HIS 69 Cb 0.54 -3.88 -0.11 0.00 1.12 0.00 0.00 29.99 27.66 2cuh n HIS 69 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2cuh s THR 70 N -3.23 -0.18 -0.34 1.59 2.01 -1.26 -5.05 115.64 109.17 2cuh s THR 70 Ca 0.33 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 2cuh s THR 70 Cb -0.15 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 2cuh s THR 70 CO 0.51 0.05 1.68 0.20 -0.69 0.00 0.00 174.62 176.37 2cuh s ASN 71 N 1.71 6.04 -0.17 3.53 -0.87 -1.26 -4.07 114.94 119.85 2cuh s ASN 71 Ca -0.07 1.19 -0.06 0.00 -1.57 0.00 0.00 52.86 52.35 2cuh s ASN 71 Cb -0.10 -2.53 -0.04 0.00 -0.02 0.00 0.00 41.25 38.57 2cuh s ASN 71 CO -0.12 -1.61 0.04 -0.31 -2.57 0.00 0.00 177.10 172.53 2cuh s TYR 72 N 6.38 3.21 -0.27 2.20 2.02 -1.24 -4.60 117.35 125.05 2cuh s TYR 72 Ca 0.74 0.01 -0.10 0.00 -0.37 0.00 0.00 57.07 57.36 2cuh s TYR 72 Cb -0.20 -2.03 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 2cuh s TYR 72 CO 0.33 0.15 0.15 0.99 -1.57 0.00 0.00 175.55 175.60 2cuh s THR 73 N 0.26 4.95 -0.08 -0.71 2.01 -0.75 -3.84 115.64 117.47 2cuh s THR 73 Ca 0.02 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.04 2cuh s THR 73 Cb -0.13 -3.36 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 2cuh s THR 73 CO 0.01 0.26 -0.04 0.00 -0.69 0.00 0.00 174.62 174.16 2cuh s ALA 74 N 1.70 3.08 -0.13 7.40 0.00 -1.23 -2.34 121.76 130.24 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 -1.35 0.02 0.00 0.00 0.00 0.00 23.12 21.64 2cuh s ALA 74 CO 0.08 0.53 -0.10 0.99 0.00 0.00 0.00 175.76 177.26 2cuh s THR 75 N -0.68 1.25 -0.12 0.00 2.01 -0.89 -2.49 115.64 114.72 2cuh s THR 75 Ca 0.10 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.62 2cuh s THR 75 Cb -0.11 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.13 2cuh s THR 75 CO 0.02 0.39 0.01 -0.69 -0.69 0.00 0.00 174.62 173.66 2cuh s VAL 76 N 1.62 4.37 0.34 3.82 1.01 0.44 -0.92 120.40 131.07 2cuh s VAL 76 Ca 0.05 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2cuh s VAL 76 Cb -0.13 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 2cuh s VAL 76 CO -0.09 0.56 0.07 -0.13 0.00 0.00 0.00 175.10 175.50 2cuh s ARG 77 N -0.43 1.69 -0.12 2.72 0.52 0.66 -0.40 118.95 123.58 2cuh s ARG 77 Ca 0.08 -1.95 0.02 0.00 -0.52 0.00 0.00 55.73 53.36 2cuh s ARG 77 Cb -0.12 -0.83 0.02 0.00 0.52 0.00 0.00 34.95 34.53 2cuh s ARG 77 CO 0.02 -0.23 -0.16 0.20 0.02 0.00 0.00 175.30 175.15 2cuh s GLY 78 N -3.50 1.13 -0.59 -3.53 0.00 -1.26 -1.25 107.32 98.31 2cuh s GLY 78 Ca 0.35 -0.85 -0.22 0.00 0.00 0.00 0.00 44.72 44.00 2cuh s GLY 78 CO 0.15 0.25 0.87 1.08 0.00 0.00 0.00 173.10 175.45 2cuh s LEU 79 N 1.07 4.51 -0.39 0.66 2.01 -0.10 -1.17 118.68 125.27 2cuh s LEU 79 Ca -0.04 -0.84 0.03 0.00 0.01 0.00 0.00 54.13 53.29 2cuh s LEU 79 Cb -0.15 -2.53 0.11 0.00 0.01 0.00 0.00 46.19 43.64 2cuh s LEU 79 CO -0.04 -1.25 0.12 -0.13 1.01 0.00 0.00 176.35 176.06 2cuh s ARG 80 N 3.63 1.53 3.75 1.70 0.52 -1.14 -2.90 118.95 126.04 2cuh s ARG 80 Ca 0.22 -2.01 0.00 0.00 -0.52 0.00 0.00 55.73 53.42 2cuh s ARG 80 Cb -0.17 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.23 2cuh s ARG 80 CO 0.13 -1.00 0.00 0.41 0.02 0.00 0.00 175.30 174.85 2cuh n GLY 81 N 3.96 0.93 0.00 -3.53 0.00 -1.26 -2.36 105.19 102.93 2cuh n GLY 81 Ca 0.04 -0.67 0.05 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.71 1.61 -0.04 -1.26 -4.74 135.00 126.35 2cuh n PRO 82 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2cuh n PRO 82 Cb 0.00 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.05 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 3.97 0.16 3.54 0.01 -0.99 -5.17 114.94 114.63 2cuh s ASN 83 Ca 0.15 -1.59 0.06 0.00 -0.71 0.00 0.00 52.86 50.77 2cuh s ASN 83 Cb 0.07 0.31 -0.04 0.00 0.41 0.00 0.00 41.25 41.99 2cuh s ASN 83 CO 0.12 -0.76 -0.13 -0.76 -1.51 0.00 0.00 177.10 174.05 2cuh s LEU 84 N -3.82 2.49 0.68 0.60 1.43 -1.26 -2.87 118.68 115.94 2cuh s LEU 84 Ca 0.14 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 2cuh s LEU 84 Cb 0.04 -0.55 0.11 0.00 0.03 0.00 0.00 46.19 45.82 2cuh s LEU 84 CO 0.07 -0.20 0.94 0.42 0.23 0.00 0.00 176.35 177.81 2cuh s THR 85 N -2.74 2.16 0.05 5.49 -4.23 -0.32 -4.92 115.64 111.13 2cuh s THR 85 Ca 0.16 -0.69 -0.31 0.00 -1.18 0.00 0.00 61.69 59.67 2cuh s THR 85 Cb -0.02 -2.46 -0.06 0.00 1.34 0.00 0.00 72.50 71.30 2cuh s THR 85 CO 0.04 0.00 1.34 -0.44 -0.54 0.00 0.00 174.62 175.02 2cuh s SER 86 N -4.71 6.90 0.33 3.99 0.01 -1.26 -4.53 113.70 114.43 2cuh s SER 86 Ca 0.65 2.14 -0.28 0.00 1.31 0.00 0.00 55.95 59.77 2cuh s SER 86 Cb -0.06 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.51 2cuh s SER 86 CO 0.43 -0.64 1.22 -2.16 0.41 0.00 0.00 173.24 172.50 2cuh s PRO 87 N 1.69 4.38 -0.16 12.44 0.04 -1.26 -4.48 135.00 147.65 2cuh s PRO 87 Ca 0.62 2.03 -0.00 0.00 0.04 0.00 0.00 61.00 63.69 2cuh s PRO 87 Cb -0.32 -3.03 0.04 0.00 0.04 0.00 0.00 34.50 31.22 2cuh s PRO 87 CO 0.28 -0.10 -0.06 0.00 0.04 0.00 0.00 177.00 177.16 2cuh s ALA 88 N -1.19 1.51 0.28 8.56 0.00 0.46 -4.96 121.76 126.41 2cuh s ALA 88 Ca 0.49 -0.83 0.12 0.00 0.00 0.00 0.00 51.96 51.74 2cuh s ALA 88 Cb -0.36 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 21.60 2cuh s ALA 88 CO 0.47 -0.74 -0.18 0.45 0.00 0.00 0.00 175.76 175.76 2cuh s SER 89 N 1.62 3.67 0.03 0.00 0.15 -1.26 -0.42 113.70 117.49 2cuh s SER 89 Ca 0.01 -1.00 -0.18 0.00 0.70 0.00 0.00 55.95 55.48 2cuh s SER 89 Cb -0.15 -0.35 0.03 0.00 -1.71 0.00 0.00 66.02 63.85 2cuh s SER 89 CO -0.08 0.03 0.40 -0.51 1.20 0.00 0.00 173.24 174.28 2cuh s ILE 90 N -2.50 0.05 -0.19 6.45 2.07 -1.04 -5.00 121.20 121.05 2cuh s ILE 90 Ca 0.30 -0.45 -0.11 0.00 -1.41 0.00 0.00 60.65 58.99 2cuh s ILE 90 Cb -0.05 -0.89 -0.05 0.00 0.13 0.00 0.00 42.46 41.60 2cuh s ILE 90 CO 0.15 -0.25 0.17 -0.89 -1.91 0.00 0.00 174.94 172.22 2cuh s THR 91 N -2.17 5.39 -0.14 4.00 2.01 -1.26 -3.53 115.64 119.93 2cuh s THR 91 Ca -0.07 0.28 -0.08 0.00 0.31 0.00 0.00 61.69 62.12 2cuh s THR 91 Cb -0.02 -3.51 0.05 0.00 0.01 0.00 0.00 72.50 69.03 2cuh s THR 91 CO -0.00 0.43 0.34 0.72 -0.69 0.00 0.00 174.62 175.42 2cuh s PHE 92 N 0.38 -0.46 -0.06 4.92 -0.12 -1.25 -5.00 117.98 116.39 2cuh s PHE 92 Ca 0.10 1.04 -0.20 0.00 -0.05 0.00 0.00 56.93 57.83 2cuh s PHE 92 Cb -0.11 0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.39 2cuh s PHE 92 CO -0.01 -0.27 0.55 0.99 -0.05 0.00 0.00 175.22 176.43 2cuh s THR 93 N 1.12 5.05 0.28 -4.49 2.01 -1.26 -3.60 115.64 114.75 2cuh s THR 93 Ca -0.08 1.12 -0.12 0.00 0.31 0.00 0.00 61.69 62.93 2cuh s THR 93 Cb -0.08 -3.88 -0.08 0.00 0.01 0.00 0.00 72.50 68.47 2cuh s THR 93 CO -0.09 0.37 0.63 0.42 -0.69 0.00 0.00 174.62 175.26 2cuh s THR 94 N 0.22 4.83 -0.31 -0.82 -4.23 -1.26 -4.69 115.64 109.39 2cuh s THR 94 Ca 0.29 0.64 -0.03 0.00 -1.18 0.00 0.00 61.69 61.41 2cuh s THR 94 Cb -0.17 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2cuh s THR 94 CO 0.14 -0.15 0.13 0.61 -0.54 0.00 0.00 174.62 174.81 2cuh n GLY 95 N -0.31 -3.52 1.93 3.99 0.00 -1.26 -2.59 105.19 103.42 2cuh n GLY 95 Ca 0.02 0.57 -0.08 0.00 0.00 0.00 0.00 46.02 46.53 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 0.42 3.02 -4.43 0.99 -0.00 -1.26 -4.52 117.00 111.23 2cuh n LEU 96 Ca 0.03 -3.73 -0.55 0.00 -0.00 0.00 0.00 56.01 51.75 2cuh n LEU 96 Cb 0.10 -0.09 -0.09 0.00 -0.00 0.00 0.00 43.42 43.34 2cuh n LEU 96 CO 0.41 1.45 1.68 -0.62 -0.00 0.00 0.00 177.39 180.32 2cuh n GLU 97 N -0.59 0.69 -3.46 1.47 4.71 -1.26 -4.81 120.64 117.39 2cuh n GLU 97 Ca 0.24 0.20 0.01 0.00 -0.01 0.00 0.00 57.16 57.60 2cuh n GLU 97 Cb 0.89 -2.05 -0.04 0.00 -1.01 0.00 0.00 31.44 29.23 2cuh n GLU 97 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2cuh s ALA 98 N 6.14 -2.54 -1.09 0.62 0.00 -1.26 -4.96 121.76 118.67 2cuh s ALA 98 Ca 1.11 2.12 0.14 0.00 0.00 0.00 0.00 51.96 55.34 2cuh s ALA 98 Cb -1.13 -1.99 0.64 0.00 0.00 0.00 0.00 23.12 20.64 2cuh s ALA 98 CO 0.59 -0.96 1.45 -0.35 0.00 0.00 0.00 175.76 176.48 2cuh n PRO 99 N 5.11 0.04 0.09 0.00 -0.04 -1.26 -4.23 135.00 134.71 2cuh n PRO 99 Ca -0.10 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2cuh n PRO 99 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.46 0.00 -3.74 0.54 1.74 -1.26 -5.16 116.66 107.32 2cuh n ARG 100 Ca 0.04 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.10 2cuh n ARG 100 Cb 0.16 -0.20 -0.01 0.00 -1.02 0.00 0.00 32.46 31.39 2cuh n ARG 100 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2cuh s ASP 101 N -5.30 -0.13 0.04 0.55 -1.08 -1.26 -5.05 116.67 104.44 2cuh s ASP 101 Ca 0.00 -0.38 -0.16 0.00 -0.52 0.00 0.00 52.55 51.49 2cuh s ASP 101 Cb 0.00 0.42 -0.25 0.00 -1.46 0.00 0.00 42.92 41.63 2cuh s ASP 101 CO 0.00 -0.78 1.12 0.25 0.52 0.00 0.00 175.17 176.28 2cuh h LEU 102 N 2.00 0.77 -8.75 -1.34 5.85 -1.91 -3.43 115.31 108.49 2cuh h LEU 102 Ca -0.26 -0.78 -0.56 0.00 0.84 0.00 0.00 57.88 57.12 2cuh h LEU 102 Cb 1.22 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 2cuh h LEU 102 CO 0.27 1.45 0.99 -1.61 -0.34 0.00 0.00 178.44 179.20 2cuh s GLU 103 N -3.16 3.66 0.34 1.25 2.02 -1.26 -5.01 118.70 116.54 2cuh s GLU 103 Ca -0.11 0.73 0.06 0.00 0.02 0.00 0.00 54.97 55.67 2cuh s GLU 103 Cb 0.05 -3.96 -0.01 0.00 0.10 0.00 0.00 34.13 30.31 2cuh s GLU 103 CO 0.89 -1.46 0.48 0.00 0.02 0.00 0.00 175.26 175.19 2cuh s ALA 104 N 4.88 4.18 -0.34 5.21 0.00 -1.26 -5.08 121.76 129.35 2cuh s ALA 104 Ca 0.54 -1.41 -0.18 0.00 0.00 0.00 0.00 51.96 50.91 2cuh s ALA 104 Cb -0.10 -1.73 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 2cuh s ALA 104 CO 0.32 -0.05 0.52 0.15 0.00 0.00 0.00 175.76 176.70 2cuh s LYS 105 N -4.20 3.67 -0.47 0.00 1.02 -1.26 -4.98 119.74 113.53 2cuh s LYS 105 Ca 0.45 -0.10 0.08 0.00 0.02 0.00 0.00 55.97 56.41 2cuh s LYS 105 Cb -0.10 -3.79 0.26 0.00 -0.52 0.00 0.00 37.83 33.69 2cuh s LYS 105 CO 0.32 -0.61 0.63 -0.85 -0.92 0.00 0.00 175.35 173.91 2cuh n GLU 106 N 5.74 1.40 -4.27 1.68 0.28 -1.26 -5.10 120.64 119.11 2cuh n GLU 106 Ca -0.05 -3.75 -0.26 0.00 -0.16 0.00 0.00 57.16 52.95 2cuh n GLU 106 Cb 0.49 -1.62 -0.08 0.00 1.43 0.00 0.00 31.44 31.66 2cuh n GLU 106 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2cuh s VAL 107 N -1.84 3.42 -0.81 3.84 -7.23 -1.26 -5.09 120.40 111.43 2cuh s VAL 107 Ca 0.38 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.88 2cuh s VAL 107 Cb 0.19 -2.73 0.20 0.00 0.56 0.00 0.00 36.38 34.59 2cuh s VAL 107 CO -0.08 -0.18 0.67 0.42 -0.31 0.00 0.00 175.10 175.62 2cuh s THR 108 N -1.87 4.11 0.31 5.32 -4.23 -1.26 -4.89 115.64 113.12 2cuh s THR 108 Ca 0.27 -3.64 0.09 0.00 -1.18 0.00 0.00 61.69 57.24 2cuh s THR 108 Cb -0.08 -3.59 0.03 0.00 1.34 0.00 0.00 72.50 70.20 2cuh s THR 108 CO 0.17 -1.03 1.70 1.55 -0.54 0.00 0.00 174.62 176.48 2cuh h PRO 109 N 6.26 0.10 -2.30 3.99 0.13 -2.05 -3.45 132.00 134.69 2cuh h PRO 109 Ca 0.11 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 65.11 2cuh h PRO 109 Cb 0.85 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.78 2cuh h PRO 109 CO 0.81 0.56 0.03 -1.54 -0.23 0.00 0.00 178.00 177.62 2cuh s SER 110 N -6.89 -0.56 -0.63 1.44 1.04 -1.26 -5.11 113.70 101.73 2cuh s SER 110 Ca -0.03 0.80 0.05 0.00 0.48 0.00 0.00 55.95 57.25 2cuh s SER 110 Cb 0.13 0.77 0.17 0.00 0.10 0.00 0.00 66.02 67.20 2cuh s SER 110 CO 0.76 -0.42 0.46 0.61 0.98 0.00 0.00 173.24 175.62 2cuh n GLY 111 N 1.70 3.52 3.09 7.32 0.00 -1.26 -5.11 105.19 114.45 2cuh n GLY 111 Ca -0.17 -2.25 -0.26 0.00 0.00 0.00 0.00 46.02 43.34 2cuh n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cuh n PRO 112 N 2.18 -2.92 -4.02 1.61 -0.04 -1.26 -5.10 135.00 125.46 2cuh n PRO 112 Ca 0.23 -1.54 -0.08 0.00 -0.04 0.00 0.00 63.50 62.06 2cuh n PRO 112 Cb 0.39 -1.45 -0.09 0.00 -0.04 0.00 0.00 33.50 32.31 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 -4.09 0.28 0.39 3.54 1.04 -1.26 -5.18 113.70 108.42 2cuh s SER 113 Ca 0.63 -0.94 0.08 0.00 0.48 0.00 0.00 55.95 56.20 2cuh s SER 113 Cb -0.06 0.29 -0.06 0.00 0.10 0.00 0.00 66.02 66.29 2cuh s SER 113 CO 0.48 -0.71 0.04 -0.55 0.98 0.00 0.00 173.24 173.48 2cuh s SER 114 N -2.94 4.07 0.00 7.02 0.15 -1.26 -5.36 113.70 115.38 2cuh s SER 114 Ca 0.12 -1.19 0.00 0.00 0.70 0.00 0.00 55.95 55.58 2cuh s SER 114 Cb 0.06 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2cuh s SER 114 CO -0.06 -0.40 0.00 0.61 1.20 0.00 0.00 173.24 174.59