#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 -0.86 -0.80 1.61 1.04 -1.26 -5.11 113.70 108.32 2cuh s SER 2 Ca 0.00 1.39 -0.24 0.00 0.48 0.00 0.00 55.95 57.58 2cuh s SER 2 Cb 0.00 1.94 0.06 0.00 0.10 0.00 0.00 66.02 68.12 2cuh s SER 2 CO 0.00 -0.22 1.20 -0.55 0.98 0.00 0.00 173.24 174.65 2cuh s SER 3 N 2.70 6.29 0.00 7.02 0.15 -1.26 -4.85 113.70 123.75 2cuh s SER 3 Ca -0.05 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.58 2cuh s SER 3 Cb -0.11 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2cuh s SER 3 CO -0.17 -1.56 0.00 0.61 1.20 0.00 0.00 173.24 173.32 2cuh n GLY 4 N 5.69 0.38 3.36 9.45 0.00 -1.26 -4.94 105.19 117.87 2cuh n GLY 4 Ca 0.10 -2.31 -0.45 0.00 0.00 0.00 0.00 46.02 43.36 2cuh n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cuh s SER 5 N -1.78 6.35 -0.08 1.61 1.04 -1.26 -5.02 113.70 114.56 2cuh s SER 5 Ca 0.00 -1.81 0.02 0.00 0.48 0.00 0.00 55.95 54.64 2cuh s SER 5 Cb 0.00 -2.28 0.01 0.00 0.10 0.00 0.00 66.02 63.85 2cuh s SER 5 CO 0.00 -0.96 -0.14 -0.44 0.98 0.00 0.00 173.24 172.68 2cuh s SER 6 N 3.34 2.10 0.00 7.02 0.01 -1.26 -5.09 113.70 119.83 2cuh s SER 6 Ca 0.14 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2cuh s SER 6 Cb -0.20 -0.96 0.00 0.00 0.21 0.00 0.00 66.02 65.07 2cuh s SER 6 CO 0.01 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2cuh n GLY 7 N 3.88 2.59 3.61 3.44 0.00 -1.26 -5.11 105.19 112.35 2cuh n GLY 7 Ca -0.21 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 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 -1.92 -0.83 -0.06 1.61 0.04 -1.26 -4.95 135.00 127.62 2cuh s PRO 8 Ca 0.00 0.07 0.16 0.00 0.04 0.00 0.00 61.00 61.27 2cuh s PRO 8 Cb 0.00 -1.63 0.57 0.00 0.04 0.00 0.00 34.50 33.48 2cuh s PRO 8 CO 0.00 -3.48 1.47 -0.25 0.04 0.00 0.00 177.00 174.78 2cuh n ASP 9 N -4.62 3.72 -1.42 6.66 8.00 -1.26 -4.85 116.55 122.78 2cuh n ASP 9 Ca 0.11 -2.23 0.00 0.00 0.71 0.00 0.00 54.79 53.38 2cuh n ASP 9 Cb 0.59 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 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 1.17 4.39 3.67 0.44 0.00 -1.26 -4.73 105.19 108.86 2cuh n GLY 10 Ca 0.21 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.97 4.22 0.30 1.61 0.04 -1.26 -4.22 135.00 134.72 2cuh s PRO 11 Ca 0.00 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.13 2cuh s PRO 11 Cb 0.00 -3.81 -0.06 0.00 0.04 0.00 0.00 34.50 30.67 2cuh s PRO 11 CO 0.00 -0.74 -0.06 0.95 0.04 0.00 0.00 177.00 177.19 2cuh s THR 12 N 3.42 1.78 -1.45 1.26 -4.23 -1.21 -4.51 115.64 110.70 2cuh s THR 12 Ca 0.67 -2.14 -0.12 0.00 -1.18 0.00 0.00 61.69 58.92 2cuh s THR 12 Cb -0.30 -2.52 0.05 0.00 1.34 0.00 0.00 72.50 71.06 2cuh s THR 12 CO 0.25 -0.26 1.09 0.00 -0.54 0.00 0.00 174.62 175.16 2cuh n GLN 13 N -0.65 -6.76 -1.67 3.99 6.02 -1.26 -2.42 117.38 114.64 2cuh n GLN 13 Ca -0.05 0.71 -0.42 0.00 -0.01 0.00 0.00 57.00 57.23 2cuh n GLN 13 Cb 0.64 -5.69 -0.03 0.00 1.02 0.00 0.00 30.24 26.18 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 -4.85 4.14 -4.60 1.08 7.94 -1.26 -4.63 117.00 114.82 2cuh n LEU 14 Ca 0.03 0.93 -0.24 0.00 -1.11 0.00 0.00 56.01 55.62 2cuh n LEU 14 Cb 0.54 -1.54 -0.08 0.00 0.53 0.00 0.00 43.42 42.87 2cuh n LEU 14 CO 0.70 0.20 -0.34 0.00 -1.11 0.00 0.00 177.39 176.84 2cuh s ARG 15 N 3.84 2.05 -0.37 1.96 1.70 -0.02 -4.98 118.95 123.14 2cuh s ARG 15 Ca 0.86 -1.67 -0.07 0.00 -0.47 0.00 0.00 55.73 54.39 2cuh s ARG 15 Cb -0.45 -1.96 0.06 0.00 -0.57 0.00 0.00 34.95 32.04 2cuh s ARG 15 CO 0.40 0.24 0.17 0.00 -1.08 0.00 0.00 175.30 175.03 2cuh s ALA 16 N -2.47 3.13 0.98 7.88 0.00 -1.26 -2.58 121.76 127.45 2cuh s ALA 16 Ca 0.33 -2.00 -0.12 0.00 0.00 0.00 0.00 51.96 50.17 2cuh s ALA 16 Cb -0.03 -2.41 0.18 0.00 0.00 0.00 0.00 23.12 20.86 2cuh s ALA 16 CO 0.19 -1.51 1.10 -1.17 0.00 0.00 0.00 175.76 174.37 2cuh s LEU 17 N 1.37 1.67 0.09 0.00 2.96 -1.26 -4.97 118.68 118.54 2cuh s LEU 17 Ca 0.01 1.11 -0.31 0.00 -0.22 0.00 0.00 54.13 54.73 2cuh s LEU 17 Cb -0.21 -3.32 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 2cuh s LEU 17 CO 0.01 -3.01 1.34 0.21 -1.32 0.00 0.00 176.35 173.58 2cuh s ASN 18 N -3.61 6.90 0.94 3.68 2.47 -1.26 -4.72 114.94 119.34 2cuh s ASN 18 Ca 0.65 2.22 -0.11 0.00 0.42 0.00 0.00 52.86 56.04 2cuh s ASN 18 Cb -0.18 -2.58 0.16 0.00 -1.45 0.00 0.00 41.25 37.20 2cuh s ASN 18 CO 0.56 -0.61 1.11 -0.76 -3.72 0.00 0.00 177.10 173.68 2cuh s LEU 19 N 1.23 2.40 -0.40 3.21 1.02 -1.26 -4.87 118.68 120.01 2cuh s LEU 19 Ca 0.63 1.93 0.00 0.00 0.02 0.00 0.00 54.13 56.71 2cuh s LEU 19 Cb -0.34 -4.26 0.11 0.00 0.02 0.00 0.00 46.19 41.72 2cuh s LEU 19 CO 0.29 -3.13 0.16 -0.89 0.02 0.00 0.00 176.35 172.80 2cuh s THR 20 N -2.68 2.86 -0.80 5.49 2.01 0.97 -4.74 115.64 118.75 2cuh s THR 20 Ca 0.66 -2.31 -0.05 0.00 0.31 0.00 0.00 61.69 60.30 2cuh s THR 20 Cb -0.22 -3.01 0.05 0.00 0.01 0.00 0.00 72.50 69.33 2cuh s THR 20 CO 0.59 -0.67 0.20 -0.62 -0.69 0.00 0.00 174.62 173.43 2cuh n GLU 21 N 4.30 -2.63 0.00 4.92 4.71 -1.26 -1.54 120.64 129.14 2cuh n GLU 21 Ca 0.01 0.27 0.00 0.00 -0.01 0.00 0.00 57.16 57.43 2cuh n GLU 21 Cb 0.41 -4.85 0.00 0.00 -1.01 0.00 0.00 31.44 25.99 2cuh n GLU 21 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2cuh n GLY 22 N -0.81 1.49 2.62 0.62 0.00 -1.26 -5.00 105.19 102.85 2cuh n GLY 22 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2cuh n GLY 22 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cuh s PHE 23 N -2.00 0.39 0.08 1.61 2.19 -0.59 -4.86 117.98 114.81 2cuh s PHE 23 Ca 0.00 -0.55 -0.04 0.00 0.33 0.00 0.00 56.93 56.66 2cuh s PHE 23 Cb 0.00 -0.82 -0.05 0.00 -1.31 0.00 0.00 43.02 40.84 2cuh s PHE 23 CO 0.00 -0.60 0.30 0.00 1.83 0.00 0.00 175.22 176.75 2cuh s ALA 24 N 2.07 3.86 0.18 11.12 0.00 -1.26 -0.02 121.76 137.71 2cuh s ALA 24 Ca 0.03 -0.63 0.02 0.00 0.00 0.00 0.00 51.96 51.38 2cuh s ALA 24 Cb -0.16 -2.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.87 2cuh s ALA 24 CO -0.15 0.70 0.01 0.14 0.00 0.00 0.00 175.76 176.46 2cuh s VAL 25 N -1.50 0.65 -0.14 0.00 -7.23 -1.26 -1.70 120.40 109.22 2cuh s VAL 25 Ca 0.35 -1.98 -0.04 0.00 -1.81 0.00 0.00 61.98 58.50 2cuh s VAL 25 Cb -0.13 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.64 2cuh s VAL 25 CO 0.23 -0.45 -0.00 -0.76 -0.31 0.00 0.00 175.10 173.80 2cuh s LEU 26 N -3.18 3.49 -0.18 1.32 1.43 -1.16 -4.20 118.68 116.21 2cuh s LEU 26 Ca 0.25 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2cuh s LEU 26 Cb 0.06 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.46 2cuh s LEU 26 CO 0.04 0.23 -0.19 -1.00 0.23 0.00 0.00 176.35 175.66 2cuh s HIS 27 N 0.03 2.80 0.13 0.29 3.76 -1.07 -2.88 115.29 118.36 2cuh s HIS 27 Ca 0.02 -1.63 0.07 0.00 -0.15 0.00 0.00 55.06 53.37 2cuh s HIS 27 Cb -0.13 -1.93 -0.04 0.00 1.11 0.00 0.00 32.58 31.59 2cuh s HIS 27 CO 0.02 -0.80 -0.17 1.67 -0.85 0.00 0.00 174.74 174.61 2cuh s TRP 28 N 1.29 1.60 -0.20 1.40 -2.14 -1.25 -0.84 118.94 118.81 2cuh s TRP 28 Ca 0.05 -0.49 -0.15 0.00 2.66 0.00 0.00 56.10 58.17 2cuh s TRP 28 Cb -0.13 -0.84 -0.04 0.00 -3.10 0.00 0.00 33.47 29.36 2cuh s TRP 28 CO -0.12 0.21 0.35 0.21 -2.66 0.00 0.00 176.95 174.94 2cuh s LYS 29 N -2.48 4.17 -0.11 3.25 2.20 -1.01 -4.86 119.74 120.89 2cuh s LYS 29 Ca 0.10 0.12 -0.29 0.00 -0.36 0.00 0.00 55.97 55.53 2cuh s LYS 29 Cb -0.07 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2cuh s LYS 29 CO 0.04 0.02 1.53 -1.25 -0.36 0.00 0.00 175.35 175.33 2cuh s PRO 30 N 1.15 4.15 0.81 4.03 0.04 -1.26 -3.31 135.00 140.61 2cuh s PRO 30 Ca 0.17 1.96 -0.11 0.00 0.04 0.00 0.00 61.00 63.06 2cuh s PRO 30 Cb -0.14 -3.92 0.08 0.00 0.04 0.00 0.00 34.50 30.55 2cuh s PRO 30 CO 0.07 -0.86 1.09 -1.25 0.04 0.00 0.00 177.00 176.10 2cuh s PRO 31 N 3.94 1.98 0.19 0.56 0.04 -1.26 -4.92 135.00 135.54 2cuh s PRO 31 Ca 0.67 1.08 -0.19 0.00 0.04 0.00 0.00 61.00 62.60 2cuh s PRO 31 Cb -0.29 -1.87 0.15 0.00 0.04 0.00 0.00 34.50 32.53 2cuh s PRO 31 CO 0.25 -1.81 1.42 0.94 0.04 0.00 0.00 177.00 177.84 2cuh n GLN 32 N -3.62 -0.26 -3.02 4.56 -0.06 -1.26 -3.88 117.38 109.83 2cuh n GLN 32 Ca 0.09 1.40 -0.42 0.00 -2.00 0.00 0.00 57.00 56.07 2cuh n GLN 32 Cb 0.54 -2.08 -0.06 0.00 -4.06 0.00 0.00 30.24 24.58 2cuh n GLN 32 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 2cuh s ASN 33 N -5.36 6.57 0.37 1.69 2.47 -1.26 -5.04 114.94 114.38 2cuh s ASN 33 Ca -0.12 0.51 -0.27 0.00 0.42 0.00 0.00 52.86 53.40 2cuh s ASN 33 Cb 0.16 -2.37 -0.09 0.00 -1.45 0.00 0.00 41.25 37.50 2cuh s ASN 33 CO 0.63 -0.57 1.20 -2.16 -3.72 0.00 0.00 177.10 172.48 2cuh s PRO 34 N 2.82 4.19 0.35 0.43 0.04 -1.25 -4.84 135.00 136.74 2cuh s PRO 34 Ca 0.29 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.29 2cuh s PRO 34 Cb -0.14 -2.84 0.07 0.00 0.04 0.00 0.00 34.50 31.62 2cuh s PRO 34 CO 0.13 -0.23 0.48 1.33 0.04 0.00 0.00 177.00 178.74 2cuh n VAL 35 N 0.39 0.00 -0.09 -0.36 0.24 -1.26 -5.05 118.33 112.19 2cuh n VAL 35 Ca 0.03 -0.84 -0.18 0.00 -2.04 0.00 0.00 64.34 61.30 2cuh n VAL 35 Cb 0.45 -1.04 -0.06 0.00 -1.47 0.00 0.00 33.84 31.72 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 -2.88 1.61 -3.79 -1.34 8.00 -1.18 -4.20 116.55 112.77 2cuh n ASP 36 Ca 0.08 0.27 -0.13 0.00 0.71 0.00 0.00 54.79 55.73 2cuh n ASP 36 Cb 0.30 -0.65 -0.14 0.00 -0.02 0.00 0.00 41.12 40.61 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 -2.50 -0.03 -0.15 -3.53 -4.23 -1.24 0.57 115.64 104.53 2cuh s THR 37 Ca -0.28 0.11 -0.16 0.00 -1.18 0.00 0.00 61.69 60.18 2cuh s THR 37 Cb 0.09 -0.16 -0.04 0.00 1.34 0.00 0.00 72.50 73.72 2cuh s THR 37 CO 0.37 0.04 0.37 -0.31 -0.54 0.00 0.00 174.62 174.56 2cuh s TYR 38 N 0.66 3.47 -0.40 3.99 2.02 0.23 -0.83 117.35 126.50 2cuh s TYR 38 Ca -0.05 0.71 -0.18 0.00 -0.37 0.00 0.00 57.07 57.18 2cuh s TYR 38 Cb -0.07 -2.44 0.01 0.00 -0.40 0.00 0.00 41.96 39.06 2cuh s TYR 38 CO -0.03 0.19 0.49 0.34 -1.57 0.00 0.00 175.55 174.98 2cuh s ASP 39 N 0.58 6.25 -0.06 2.29 2.15 -0.46 -3.09 116.67 124.32 2cuh s ASP 39 Ca 0.20 -0.37 0.02 0.00 0.43 0.00 0.00 52.55 52.83 2cuh s ASP 39 Cb -0.14 -2.25 -0.03 0.00 -0.30 0.00 0.00 42.92 40.20 2cuh s ASP 39 CO 0.07 -0.57 -0.09 -0.63 -0.17 0.00 0.00 175.17 173.77 2cuh s ILE 40 N 2.34 3.48 -0.06 4.11 1.09 -1.06 -0.01 121.20 131.09 2cuh s ILE 40 Ca 0.16 -0.57 -0.02 0.00 -1.10 0.00 0.00 60.65 59.13 2cuh s ILE 40 Cb -0.16 -2.40 0.03 0.00 -1.06 0.00 0.00 42.46 38.87 2cuh s ILE 40 CO 0.14 0.60 0.03 -1.58 -0.10 0.00 0.00 174.94 174.03 2cuh s GLN 41 N -0.78 0.29 -0.18 2.79 0.74 -0.58 -2.90 119.66 119.04 2cuh s GLN 41 Ca 0.12 0.21 -0.06 0.00 0.05 0.00 0.00 55.36 55.68 2cuh s GLN 41 Cb -0.11 -0.83 -0.03 0.00 1.10 0.00 0.00 33.01 33.13 2cuh s GLN 41 CO 0.01 -0.34 0.01 0.08 -0.55 0.00 0.00 175.29 174.51 2cuh s VAL 42 N 2.06 4.28 0.00 1.34 1.01 -0.16 -0.90 120.40 128.04 2cuh s VAL 42 Ca 0.05 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 2cuh s VAL 42 Cb -0.12 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.35 2cuh s VAL 42 CO -0.04 0.46 0.22 0.42 0.00 0.00 0.00 175.10 176.15 2cuh s THR 43 N 0.54 0.08 0.14 3.92 -4.23 -0.41 -1.61 115.64 114.07 2cuh s THR 43 Ca 0.00 -0.64 -0.17 0.00 -1.18 0.00 0.00 61.69 59.70 2cuh s THR 43 Cb -0.14 -0.58 0.04 0.00 1.34 0.00 0.00 72.50 73.16 2cuh s THR 43 CO 0.02 -0.35 0.45 0.00 -0.54 0.00 0.00 174.62 174.20 2cuh s ALA 44 N -1.56 -1.05 -0.49 3.99 0.00 -1.26 -0.96 121.76 120.42 2cuh s ALA 44 Ca -0.13 0.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.60 2cuh s ALA 44 Cb -0.06 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 2cuh s ALA 44 CO 0.02 -0.68 1.79 -1.25 0.00 0.00 0.00 175.76 175.64 2cuh s PRO 45 N -3.80 2.97 0.00 0.00 0.04 -1.26 -2.52 135.00 130.43 2cuh s PRO 45 Ca 0.03 0.92 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2cuh s PRO 45 Cb 0.01 -4.28 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2cuh s PRO 45 CO -0.11 -2.31 0.00 0.41 0.04 0.00 0.00 177.00 175.03 2cuh n GLY 46 N 5.54 1.18 3.02 0.56 0.00 -1.26 -5.05 105.19 109.18 2cuh n GLY 46 Ca 0.21 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 0.29 0.42 4.61 0.00 -1.05 -5.15 121.76 118.89 2cuh s ALA 47 Ca 0.00 -0.74 -0.24 0.00 0.00 0.00 0.00 51.96 50.98 2cuh s ALA 47 Cb 0.00 0.15 -0.08 0.00 0.00 0.00 0.00 23.12 23.19 2cuh s ALA 47 CO 0.00 -0.17 1.18 -1.25 0.00 0.00 0.00 175.76 175.52 2cuh s PRO 48 N -1.92 3.93 0.30 0.00 0.04 -1.26 -4.50 135.00 131.58 2cuh s PRO 48 Ca -0.11 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 2cuh s PRO 48 Cb -0.07 -2.58 -0.10 0.00 0.04 0.00 0.00 34.50 31.79 2cuh s PRO 48 CO -0.02 -0.42 1.24 -1.25 0.04 0.00 0.00 177.00 176.58 2cuh s PRO 49 N -2.44 4.46 -0.09 0.56 0.04 -1.26 -4.79 135.00 131.47 2cuh s PRO 49 Ca 0.59 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.71 2cuh s PRO 49 Cb -0.31 -3.13 0.01 0.00 0.04 0.00 0.00 34.50 31.12 2cuh s PRO 49 CO 0.38 -0.06 -0.14 -1.17 0.04 0.00 0.00 177.00 176.04 2cuh s LEU 50 N -1.45 1.70 -0.04 -3.56 2.96 -0.63 -5.03 118.68 112.63 2cuh s LEU 50 Ca 0.48 -0.38 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 2cuh s LEU 50 Cb -0.37 -1.00 -0.00 0.00 0.50 0.00 0.00 46.19 45.32 2cuh s LEU 50 CO 0.47 0.03 -0.17 -1.58 -1.32 0.00 0.00 176.35 173.78 2cuh s GLN 51 N 0.81 1.74 0.13 1.98 0.74 -1.26 -0.98 119.66 122.81 2cuh s GLN 51 Ca -0.11 -0.62 -0.14 0.00 0.05 0.00 0.00 55.36 54.54 2cuh s GLN 51 Cb -0.16 -1.54 0.02 0.00 1.10 0.00 0.00 33.01 32.44 2cuh s GLN 51 CO 0.02 0.27 0.35 0.00 -0.55 0.00 0.00 175.29 175.37 2cuh s ALA 52 N -0.04 -0.67 0.10 1.58 0.00 -1.14 -5.07 121.76 116.53 2cuh s ALA 52 Ca -0.02 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.66 2cuh s ALA 52 Cb -0.11 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 2cuh s ALA 52 CO 0.02 -0.63 -0.06 -2.00 0.00 0.00 0.00 175.76 173.09 2cuh s GLU 53 N -3.84 0.83 -0.10 0.00 2.56 -1.26 -2.55 118.70 114.33 2cuh s GLU 53 Ca 0.05 -1.33 -0.18 0.00 0.00 0.00 0.00 54.97 53.51 2cuh s GLU 53 Cb 0.02 -0.18 0.04 0.00 2.00 0.00 0.00 34.13 36.02 2cuh s GLU 53 CO -0.10 -0.03 0.45 -0.08 -0.56 0.00 0.00 175.26 174.95 2cuh s THR 54 N -3.65 0.02 0.53 -1.70 -1.32 -1.18 -4.98 115.64 103.36 2cuh s THR 54 Ca 0.12 -0.17 -0.20 0.00 -1.21 0.00 0.00 61.69 60.23 2cuh s THR 54 Cb 0.05 -0.70 -0.06 0.00 -1.51 0.00 0.00 72.50 70.28 2cuh s THR 54 CO -0.05 -0.09 1.14 -2.16 -2.21 0.00 0.00 174.62 171.25 2cuh s PRO 55 N -0.55 3.44 0.21 7.08 0.04 -1.26 -0.60 135.00 143.36 2cuh s PRO 55 Ca -0.07 1.64 0.10 0.00 0.04 0.00 0.00 61.00 62.72 2cuh s PRO 55 Cb -0.03 -2.09 0.55 0.00 0.04 0.00 0.00 34.50 32.97 2cuh s PRO 55 CO 0.04 -0.78 1.21 0.41 0.04 0.00 0.00 177.00 177.91 2cuh n GLY 56 N 0.21 -0.57 0.00 0.56 0.00 0.19 -0.63 105.19 104.96 2cuh n GLY 56 Ca 0.11 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.24 2cuh n GLY 56 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cuh n SER 57 N -1.85 0.00 -4.18 1.61 2.88 -1.26 -4.71 113.62 106.11 2cuh n SER 57 Ca -0.01 -1.61 -0.25 0.00 -1.33 0.00 0.00 58.87 55.67 2cuh n SER 57 Cb 0.21 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.52 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 -2.00 1.52 -0.19 -1.46 0.00 0.20 -5.03 121.76 114.80 2cuh s ALA 58 Ca 0.05 -0.79 0.14 0.00 0.00 0.00 0.00 51.96 51.36 2cuh s ALA 58 Cb 0.02 -0.39 0.38 0.00 0.00 0.00 0.00 23.12 23.14 2cuh s ALA 58 CO 0.03 0.37 1.21 1.33 0.00 0.00 0.00 175.76 178.71 2cuh n VAL 59 N 2.63 2.12 -3.64 0.00 0.24 -1.26 -4.94 118.33 113.48 2cuh n VAL 59 Ca -0.15 -2.90 -0.06 0.00 -2.04 0.00 0.00 64.34 59.19 2cuh n VAL 59 Cb 0.54 -0.24 -0.07 0.00 -1.47 0.00 0.00 33.84 32.59 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 -3.08 -0.37 -0.34 -1.34 1.47 -1.26 -3.96 116.67 107.79 2cuh s ASP 60 Ca 0.36 0.67 -0.00 0.00 1.18 0.00 0.00 52.55 54.76 2cuh s ASP 60 Cb 0.34 0.80 0.11 0.00 -0.34 0.00 0.00 42.92 43.84 2cuh s ASP 60 CO -0.03 -0.11 0.15 -0.47 0.68 0.00 0.00 175.17 175.38 2cuh s TYR 61 N 0.46 1.53 -0.00 2.11 5.04 -1.14 -4.98 117.35 120.36 2cuh s TYR 61 Ca 0.01 -1.81 -0.30 0.00 -2.44 0.00 0.00 57.07 52.53 2cuh s TYR 61 Cb -0.05 -1.59 -0.06 0.00 0.35 0.00 0.00 41.96 40.62 2cuh s TYR 61 CO -0.10 -0.85 1.45 -1.25 -1.34 0.00 0.00 175.55 173.46 2cuh s PRO 62 N 1.30 4.26 -0.14 4.97 0.04 -1.26 -2.96 135.00 141.21 2cuh s PRO 62 Ca 0.12 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.08 2cuh s PRO 62 Cb -0.20 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.68 2cuh s PRO 62 CO -0.17 -0.63 0.19 -0.51 0.04 0.00 0.00 177.00 175.92 2cuh s LEU 63 N 2.63 4.31 0.51 -3.56 1.43 -0.69 -4.98 118.68 118.34 2cuh s LEU 63 Ca 0.66 0.45 0.01 0.00 -1.03 0.00 0.00 54.13 54.21 2cuh s LEU 63 Cb -0.32 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.70 2cuh s LEU 63 CO 0.27 0.27 0.01 -1.38 0.23 0.00 0.00 176.35 175.75 2cuh s HIS 64 N -0.29 1.81 -1.42 0.29 -3.43 -1.26 -4.00 115.29 106.98 2cuh s HIS 64 Ca 0.14 -1.00 -0.11 0.00 -0.80 0.00 0.00 55.06 53.29 2cuh s HIS 64 Cb -0.12 -1.57 0.04 0.00 -1.43 0.00 0.00 32.58 29.49 2cuh s HIS 64 CO 0.03 0.18 1.12 -3.47 -2.00 0.00 0.00 174.74 170.60 2cuh n ASP 65 N -1.29 -5.84 -4.44 7.38 2.03 -1.26 -4.97 116.55 108.16 2cuh n ASP 65 Ca -0.20 -0.62 -0.37 0.00 0.52 0.00 0.00 54.79 54.12 2cuh n ASP 65 Cb 0.67 -4.65 -0.12 0.00 -0.72 0.00 0.00 41.12 36.29 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 -7.30 3.78 0.22 -2.67 1.43 -1.26 -5.06 118.68 107.82 2cuh s LEU 66 Ca 0.61 -0.37 -0.32 0.00 -1.03 0.00 0.00 54.13 53.02 2cuh s LEU 66 Cb -0.28 -1.96 -0.14 0.00 0.03 0.00 0.00 46.19 43.84 2cuh s LEU 66 CO 0.76 -0.11 1.34 0.52 0.23 0.00 0.00 176.35 179.09 2cuh n VAL 67 N 4.95 0.96 -1.63 -1.59 0.31 -1.26 -4.85 118.33 115.22 2cuh n VAL 67 Ca -0.15 -0.24 -0.31 0.00 -0.01 0.00 0.00 64.34 63.63 2cuh n VAL 67 Cb 0.50 -1.32 0.05 0.00 -0.91 0.00 0.00 33.84 32.16 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 0.23 3.11 -1.28 7.52 2.01 -1.26 -4.04 118.68 124.97 2cuh s LEU 68 Ca 0.69 1.55 -0.01 0.00 0.01 0.00 0.00 54.13 56.37 2cuh s LEU 68 Cb -0.70 -4.44 0.01 0.00 0.01 0.00 0.00 46.19 41.07 2cuh s LEU 68 CO 0.50 -1.37 0.87 1.41 1.01 0.00 0.00 176.35 178.78 2cuh n HIS 69 N -3.08 -2.11 -3.69 0.29 8.25 -1.23 -4.95 115.22 108.70 2cuh n HIS 69 Ca 0.07 0.90 -0.10 0.00 -0.26 0.00 0.00 57.72 58.33 2cuh n HIS 69 Cb 0.54 -4.70 -0.11 0.00 1.12 0.00 0.00 29.99 26.85 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 -3.50 -0.02 -0.74 1.59 2.01 -1.26 -5.04 115.64 108.67 2cuh s THR 70 Ca 0.08 0.09 -0.27 0.00 0.31 0.00 0.00 61.69 61.90 2cuh s THR 70 Cb -0.04 -0.64 0.02 0.00 0.01 0.00 0.00 72.50 71.86 2cuh s THR 70 CO 0.77 0.04 1.40 0.54 -0.69 0.00 0.00 174.62 176.68 2cuh s ASN 71 N 1.41 6.02 0.03 3.53 4.22 -1.26 -3.90 114.94 125.00 2cuh s ASN 71 Ca -0.10 -0.40 -0.16 0.00 -2.14 0.00 0.00 52.86 50.07 2cuh s ASN 71 Cb -0.08 -2.56 -0.06 0.00 1.28 0.00 0.00 41.25 39.83 2cuh s ASN 71 CO -0.13 -1.92 0.46 -0.31 -2.04 0.00 0.00 177.10 173.16 2cuh s TYR 72 N 6.29 3.74 -0.20 1.54 1.51 -1.24 -4.62 117.35 124.37 2cuh s TYR 72 Ca 0.42 1.07 -0.02 0.00 -1.01 0.00 0.00 57.07 57.52 2cuh s TYR 72 Cb -0.08 -2.35 -0.00 0.00 -0.11 0.00 0.00 41.96 39.42 2cuh s TYR 72 CO 0.14 0.61 -0.09 0.99 -1.11 0.00 0.00 175.55 176.09 2cuh s THR 73 N -1.13 3.03 -0.04 -0.71 2.01 -0.13 -3.68 115.64 114.99 2cuh s THR 73 Ca 0.27 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.68 2cuh s THR 73 Cb -0.17 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 2cuh s THR 73 CO 0.16 0.46 -0.11 0.00 -0.69 0.00 0.00 174.62 174.43 2cuh s ALA 74 N 1.35 2.82 -0.22 7.40 0.00 -1.22 -1.29 121.76 130.59 2cuh s ALA 74 Ca 0.04 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.04 2cuh s ALA 74 Cb -0.14 -1.06 0.05 0.00 0.00 0.00 0.00 23.12 21.98 2cuh s ALA 74 CO -0.05 0.57 -0.07 0.99 0.00 0.00 0.00 175.76 177.20 2cuh s THR 75 N -0.82 1.58 0.07 0.00 2.01 -0.07 -2.60 115.64 115.82 2cuh s THR 75 Ca 0.13 -1.15 -0.06 0.00 0.31 0.00 0.00 61.69 60.92 2cuh s THR 75 Cb -0.11 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 2cuh s THR 75 CO 0.02 0.00 0.33 -0.69 -0.69 0.00 0.00 174.62 173.59 2cuh s VAL 76 N 1.39 5.22 0.22 3.82 1.01 0.42 -1.53 120.40 130.95 2cuh s VAL 76 Ca -0.04 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 2cuh s VAL 76 Cb -0.18 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2cuh s VAL 76 CO -0.07 0.21 0.22 -0.13 0.00 0.00 0.00 175.10 175.33 2cuh s ARG 77 N -2.17 1.32 -0.16 2.72 0.52 0.99 -0.23 118.95 121.94 2cuh s ARG 77 Ca 0.34 -1.58 0.00 0.00 -0.52 0.00 0.00 55.73 53.97 2cuh s ARG 77 Cb -0.13 0.32 0.03 0.00 0.52 0.00 0.00 34.95 35.69 2cuh s ARG 77 CO 0.21 -0.47 -0.11 0.20 0.02 0.00 0.00 175.30 175.15 2cuh s GLY 78 N -3.14 1.08 -0.65 -3.53 0.00 -1.26 -1.36 107.32 98.46 2cuh s GLY 78 Ca 0.36 -0.90 -0.21 0.00 0.00 0.00 0.00 44.72 43.96 2cuh s GLY 78 CO 0.12 0.67 0.89 1.08 0.00 0.00 0.00 173.10 175.86 2cuh s LEU 79 N 1.52 4.71 -0.48 0.66 2.01 -0.01 -1.44 118.68 125.66 2cuh s LEU 79 Ca 0.03 -1.16 0.01 0.00 0.01 0.00 0.00 54.13 53.03 2cuh s LEU 79 Cb -0.14 -2.38 0.13 0.00 0.01 0.00 0.00 46.19 43.81 2cuh s LEU 79 CO -0.09 -1.33 0.23 -0.13 1.01 0.00 0.00 176.35 176.04 2cuh s ARG 80 N 3.61 1.98 3.67 1.70 0.52 -1.08 -3.13 118.95 126.21 2cuh s ARG 80 Ca 0.19 -2.28 0.00 0.00 -0.52 0.00 0.00 55.73 53.13 2cuh s ARG 80 Cb -0.19 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 31.86 2cuh s ARG 80 CO 0.08 -1.07 0.00 0.41 0.02 0.00 0.00 175.30 174.74 2cuh n GLY 81 N 3.74 0.69 0.00 -3.53 0.00 -1.26 -2.55 105.19 102.27 2cuh n GLY 81 Ca 0.04 -0.74 0.05 0.00 0.00 0.00 0.00 46.02 45.37 2cuh n GLY 81 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cuh n PRO 82 N 0.00 0.49 -4.61 1.61 -0.04 -1.26 -4.73 135.00 126.46 2cuh n PRO 82 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 2cuh n PRO 82 Cb 0.00 -1.33 -0.11 0.00 -0.04 0.00 0.00 33.50 32.03 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 3.65 0.26 3.54 0.01 -1.06 -5.17 114.94 114.34 2cuh s ASN 83 Ca 0.15 -1.41 0.06 0.00 -0.71 0.00 0.00 52.86 50.95 2cuh s ASN 83 Cb 0.07 -0.23 -0.06 0.00 0.41 0.00 0.00 41.25 41.44 2cuh s ASN 83 CO 0.12 -0.53 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.38 2cuh s LEU 84 N -3.69 2.39 0.55 0.60 1.43 -1.26 -2.63 118.68 116.07 2cuh s LEU 84 Ca 0.32 -1.20 0.08 0.00 -1.03 0.00 0.00 54.13 52.30 2cuh s LEU 84 Cb 0.09 -0.51 0.07 0.00 0.03 0.00 0.00 46.19 45.86 2cuh s LEU 84 CO 0.16 -0.40 0.64 0.42 0.23 0.00 0.00 176.35 177.40 2cuh s THR 85 N -3.15 2.02 0.04 5.49 -4.23 -0.52 -4.92 115.64 110.38 2cuh s THR 85 Ca 0.29 -1.17 -0.31 0.00 -1.18 0.00 0.00 61.69 59.32 2cuh s THR 85 Cb 0.04 -2.20 -0.06 0.00 1.34 0.00 0.00 72.50 71.63 2cuh s THR 85 CO 0.11 0.00 1.32 -0.44 -0.54 0.00 0.00 174.62 175.06 2cuh s SER 86 N -4.51 6.93 0.33 3.99 0.01 -1.26 -4.56 113.70 114.62 2cuh s SER 86 Ca 0.52 2.11 -0.28 0.00 1.31 0.00 0.00 55.95 59.60 2cuh s SER 86 Cb -0.05 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.51 2cuh s SER 86 CO 0.33 -0.61 1.22 -2.16 0.41 0.00 0.00 173.24 172.42 2cuh s PRO 87 N 1.64 4.40 -0.16 12.44 0.04 -1.26 -4.52 135.00 147.58 2cuh s PRO 87 Ca 0.62 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.68 2cuh s PRO 87 Cb -0.32 -3.05 0.04 0.00 0.04 0.00 0.00 34.50 31.22 2cuh s PRO 87 CO 0.28 -0.08 -0.05 0.00 0.04 0.00 0.00 177.00 177.19 2cuh s ALA 88 N -1.19 1.40 0.43 8.56 0.00 0.68 -4.96 121.76 126.69 2cuh s ALA 88 Ca 0.49 -0.76 0.06 0.00 0.00 0.00 0.00 51.96 51.75 2cuh s ALA 88 Cb -0.36 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 2cuh s ALA 88 CO 0.47 -0.76 0.12 0.45 0.00 0.00 0.00 175.76 176.04 2cuh s SER 89 N 1.67 4.23 0.03 0.00 0.15 -1.26 -0.43 113.70 118.08 2cuh s SER 89 Ca 0.01 -1.25 -0.27 0.00 0.70 0.00 0.00 55.95 55.14 2cuh s SER 89 Cb -0.15 -0.29 0.08 0.00 -1.71 0.00 0.00 66.02 63.95 2cuh s SER 89 CO -0.08 -0.58 0.73 -0.51 1.20 0.00 0.00 173.24 174.01 2cuh s ILE 90 N -2.68 0.00 -0.29 6.45 2.07 -1.07 -4.94 121.20 120.74 2cuh s ILE 90 Ca 0.35 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.54 2cuh s ILE 90 Cb 0.05 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.67 2cuh s ILE 90 CO 0.19 0.00 0.04 -0.89 -1.91 0.00 0.00 174.94 172.37 2cuh s THR 91 N -2.65 3.58 0.00 4.00 2.01 -1.26 -3.43 115.64 117.89 2cuh s THR 91 Ca -0.01 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.12 2cuh s THR 91 Cb -0.01 -2.90 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 2cuh s THR 91 CO -0.05 0.04 -0.18 0.72 -0.69 0.00 0.00 174.62 174.47 2cuh s PHE 92 N 1.42 1.57 -0.12 4.92 -0.12 -1.24 -5.06 117.98 119.34 2cuh s PHE 92 Ca 0.00 -0.32 -0.17 0.00 -0.05 0.00 0.00 56.93 56.39 2cuh s PHE 92 Cb -0.18 -0.99 -0.04 0.00 -0.63 0.00 0.00 43.02 41.18 2cuh s PHE 92 CO 0.01 0.00 0.45 0.99 -0.05 0.00 0.00 175.22 176.62 2cuh s THR 93 N -0.54 5.21 0.73 -4.49 2.01 -1.26 -3.60 115.64 113.70 2cuh s THR 93 Ca 0.06 0.88 -0.06 0.00 0.31 0.00 0.00 61.69 62.89 2cuh s THR 93 Cb -0.07 -3.78 0.09 0.00 0.01 0.00 0.00 72.50 68.75 2cuh s THR 93 CO 0.00 0.34 1.03 0.42 -0.69 0.00 0.00 174.62 175.72 2cuh s THR 94 N 0.58 2.24 0.00 -0.82 -4.23 -1.25 -4.92 115.64 107.23 2cuh s THR 94 Ca 0.24 -0.34 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 2cuh s THR 94 Cb -0.15 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 70.79 2cuh s THR 94 CO 0.09 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 2cuh n GLY 95 N -2.98 1.21 3.30 3.99 0.00 -1.26 -3.57 105.19 105.88 2cuh n GLY 95 Ca 0.11 -0.69 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 2cuh n GLY 95 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2cuh n LEU 96 N 0.00 -3.50 -0.03 0.99 7.94 -1.26 -4.82 117.00 116.32 2cuh n LEU 96 Ca 0.00 -0.52 -0.03 0.00 -1.11 0.00 0.00 56.01 54.35 2cuh n LEU 96 Cb 0.00 -2.82 -0.04 0.00 0.53 0.00 0.00 43.42 41.10 2cuh n LEU 96 CO 0.00 0.49 -0.69 -1.84 -1.11 0.00 0.00 177.39 174.24 2cuh n GLU 97 N -4.25 2.11 -1.13 1.96 -0.00 -1.26 -5.03 120.64 113.04 2cuh n GLU 97 Ca -0.10 0.01 -0.37 0.00 -0.00 0.00 0.00 57.16 56.69 2cuh n GLU 97 Cb 0.60 -1.14 0.03 0.00 -0.00 0.00 0.00 31.44 30.93 2cuh n GLU 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2cuh n ALA 98 N -2.37 -4.03 0.40 -1.84 0.00 -1.26 -4.81 120.51 106.60 2cuh n ALA 98 Ca -0.10 -0.35 0.12 0.00 0.00 0.00 0.00 53.44 53.10 2cuh n ALA 98 Cb 0.66 -1.33 0.48 0.00 0.00 0.00 0.00 19.45 19.26 2cuh n ALA 98 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2cuh n PRO 99 N 1.72 0.18 -1.65 0.00 -0.04 -1.26 -4.82 135.00 129.14 2cuh n PRO 99 Ca 0.04 0.42 -0.43 0.00 -0.04 0.00 0.00 63.50 63.49 2cuh n PRO 99 Cb 0.51 -1.85 -0.01 0.00 -0.04 0.00 0.00 33.50 32.11 2cuh n PRO 99 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2cuh n ARG 100 N -2.20 1.72 -1.62 0.54 1.85 -1.26 -4.75 116.66 110.94 2cuh n ARG 100 Ca 0.02 0.60 -0.61 0.00 -1.00 0.00 0.00 57.85 56.87 2cuh n ARG 100 Cb 0.22 -2.11 -0.09 0.00 -1.05 0.00 0.00 32.46 29.43 2cuh n ARG 100 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2cuh n ASP 101 N 0.85 1.65 -4.77 2.89 2.03 -1.26 -4.93 116.55 113.01 2cuh n ASP 101 Ca 0.07 0.98 -0.22 0.00 0.52 0.00 0.00 54.79 56.13 2cuh n ASP 101 Cb 0.35 -1.02 0.09 0.00 -0.72 0.00 0.00 41.12 39.83 2cuh n ASP 101 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2cuh s LEU 102 N 4.20 3.02 -1.24 -2.67 1.43 -1.26 -5.01 118.68 117.15 2cuh s LEU 102 Ca 1.06 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.54 2cuh s LEU 102 Cb -1.28 -1.87 0.18 0.00 0.03 0.00 0.00 46.19 43.25 2cuh s LEU 102 CO 0.70 -1.72 1.66 1.21 0.23 0.00 0.00 176.35 178.43 2cuh n GLU 103 N -2.66 3.56 -1.73 1.70 4.07 -1.26 -4.82 120.64 119.49 2cuh n GLU 103 Ca 0.15 -3.74 -0.36 0.00 -0.06 0.00 0.00 57.16 53.16 2cuh n GLU 103 Cb 0.61 -2.94 0.02 0.00 -0.06 0.00 0.00 31.44 29.07 2cuh n GLU 103 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2cuh n ALA 104 N 4.44 6.45 -4.09 4.31 0.00 -1.26 -4.85 120.51 125.52 2cuh n ALA 104 Ca 0.37 -3.75 -0.30 0.00 0.00 0.00 0.00 53.44 49.76 2cuh n ALA 104 Cb 0.39 -1.99 -0.08 0.00 0.00 0.00 0.00 19.45 17.77 2cuh n ALA 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2cuh n LYS 105 N -0.25 -0.88 -0.91 0.00 5.02 -1.26 -4.73 118.16 115.15 2cuh n LYS 105 Ca 0.53 0.09 -0.11 0.00 -2.02 0.00 0.00 58.31 56.81 2cuh n LYS 105 Cb 0.36 -3.43 -0.09 0.00 -0.02 0.00 0.00 35.03 31.84 2cuh n LYS 105 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2cuh n GLU 106 N -3.90 1.74 0.32 1.97 1.02 -1.26 -4.52 120.64 116.00 2cuh n GLU 106 Ca -0.15 -0.92 -0.16 0.00 -0.02 0.00 0.00 57.16 55.92 2cuh n GLU 106 Cb 0.53 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 30.16 2cuh n GLU 106 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2cuh h VAL 107 N 1.63 0.38 -0.37 2.62 2.07 -2.02 -3.43 116.25 117.13 2cuh h VAL 107 Ca 0.17 -0.18 -0.67 0.00 0.82 0.00 0.00 66.70 66.83 2cuh h VAL 107 Cb 1.22 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 2cuh h VAL 107 CO 0.28 0.03 0.85 1.07 0.02 0.00 0.00 177.57 179.82 2cuh n THR 108 N -5.38 0.00 -0.84 2.57 5.66 -1.26 -4.89 114.28 110.13 2cuh n THR 108 Ca -0.12 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.69 2cuh n THR 108 Cb 0.34 -0.41 0.16 0.00 -1.55 0.00 0.00 70.33 68.86 2cuh n THR 108 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2cuh n PRO 109 N 4.89 -2.34 -3.73 1.09 -0.04 -1.26 -5.08 135.00 128.52 2cuh n PRO 109 Ca 0.36 -1.08 -0.17 0.00 -0.04 0.00 0.00 63.50 62.57 2cuh n PRO 109 Cb -0.04 -1.02 -0.17 0.00 -0.04 0.00 0.00 33.50 32.24 2cuh n PRO 109 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cuh s SER 110 N -3.33 0.52 0.00 3.54 0.01 -1.26 -5.10 113.70 108.07 2cuh s SER 110 Ca 0.44 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.76 2cuh s SER 110 Cb -0.04 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2cuh s SER 110 CO 0.34 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.42 2cuh n GLY 111 N 4.65 2.86 3.62 3.44 0.00 -1.26 -5.10 105.19 113.40 2cuh n GLY 111 Ca -0.18 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 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 -4.53 -0.61 -0.18 1.61 0.04 -1.26 -5.09 135.00 124.99 2cuh s PRO 112 Ca 0.00 0.15 -0.35 0.00 0.04 0.00 0.00 61.00 60.84 2cuh s PRO 112 Cb 0.00 -1.65 0.14 0.00 0.04 0.00 0.00 34.50 33.03 2cuh s PRO 112 CO 0.00 -3.35 1.20 0.45 0.04 0.00 0.00 177.00 175.34 2cuh s SER 113 N -3.72 -0.14 -0.03 6.66 0.15 -1.26 -5.17 113.70 110.19 2cuh s SER 113 Ca 0.69 -0.01 -0.00 0.00 0.70 0.00 0.00 55.95 57.33 2cuh s SER 113 Cb -0.13 0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.36 2cuh s SER 113 CO 0.57 -0.25 0.02 -0.55 1.20 0.00 0.00 173.24 174.23 2cuh s SER 114 N -2.23 0.48 0.00 5.45 0.15 -1.26 -5.32 113.70 110.98 2cuh s SER 114 Ca 0.09 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.76 2cuh s SER 114 Cb -0.01 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2cuh s SER 114 CO -0.05 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.86