#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 2.10 -3.95 1.61 3.41 -1.26 -4.90 113.62 110.64 2cuh n SER 2 Ca 0.00 -0.36 -0.31 0.00 -0.26 0.00 0.00 58.87 57.95 2cuh n SER 2 Cb 0.00 -1.49 -0.15 0.00 -0.26 0.00 0.00 64.21 62.31 2cuh n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2cuh s SER 3 N 11.48 4.41 0.60 4.04 1.04 -1.26 -5.12 113.70 128.89 2cuh s SER 3 Ca 1.04 -1.79 -0.07 0.00 0.48 0.00 0.00 55.95 55.61 2cuh s SER 3 Cb -0.34 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.41 2cuh s SER 3 CO 0.30 -0.34 0.93 -0.83 0.98 0.00 0.00 173.24 174.28 2cuh s GLY 4 N 1.17 1.60 -0.35 7.32 0.00 -1.26 -5.04 107.32 110.76 2cuh s GLY 4 Ca 0.06 -0.58 -0.20 0.00 0.00 0.00 0.00 44.72 43.99 2cuh s GLY 4 CO -0.11 -0.30 0.60 -0.45 0.00 0.00 0.00 173.10 172.84 2cuh s SER 5 N -4.28 6.41 0.02 1.64 0.15 -1.26 -5.04 113.70 111.34 2cuh s SER 5 Ca 0.54 0.14 -0.09 0.00 0.70 0.00 0.00 55.95 57.23 2cuh s SER 5 Cb -0.11 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2cuh s SER 5 CO 0.47 -0.55 0.18 -0.55 1.20 0.00 0.00 173.24 173.99 2cuh s SER 6 N 1.77 0.01 0.07 5.45 0.15 -1.26 -5.17 113.70 114.71 2cuh s SER 6 Ca 0.23 -0.26 0.09 0.00 0.70 0.00 0.00 55.95 56.71 2cuh s SER 6 Cb -0.15 0.25 -0.03 0.00 -1.71 0.00 0.00 66.02 64.39 2cuh s SER 6 CO 0.14 -0.47 -0.24 -0.83 1.20 0.00 0.00 173.24 173.04 2cuh s GLY 7 N -1.72 1.33 0.00 9.45 0.00 -1.26 -5.13 107.32 109.99 2cuh s GLY 7 Ca -0.10 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.38 2cuh s GLY 7 CO -0.01 -1.17 0.00 -1.55 0.00 0.00 0.00 173.10 170.37 2cuh n PRO 8 N 1.55 -0.17 0.11 2.90 -0.04 -1.26 -4.67 135.00 133.41 2cuh n PRO 8 Ca -0.17 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.40 2cuh n PRO 8 Cb 0.53 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.02 2cuh n PRO 8 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2cuh h ASP 9 N -0.59 0.00 -5.27 3.54 3.32 -1.95 -3.41 116.42 112.06 2cuh h ASP 9 Ca 0.00 -0.03 -0.46 0.00 0.02 0.00 0.00 57.03 56.56 2cuh h ASP 9 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 2cuh h ASP 9 CO 0.00 0.01 -0.23 0.61 -1.72 0.00 0.00 179.24 177.91 2cuh n GLY 10 N 1.19 2.90 3.75 2.75 0.00 -1.26 -4.67 105.19 109.85 2cuh n GLY 10 Ca 0.01 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.34 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 -3.74 4.43 0.25 1.61 0.04 -1.26 -4.51 135.00 131.81 2cuh s PRO 11 Ca 0.22 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.33 2cuh s PRO 11 Cb -0.02 -3.16 -0.03 0.00 0.04 0.00 0.00 34.50 31.33 2cuh s PRO 11 CO 0.14 -0.15 0.20 0.95 0.04 0.00 0.00 177.00 178.18 2cuh s THR 12 N -0.48 0.00 -1.48 1.26 -4.23 -1.24 -4.38 115.64 105.09 2cuh s THR 12 Ca 0.52 -1.97 -0.12 0.00 -1.18 0.00 0.00 61.69 58.94 2cuh s THR 12 Cb -0.37 -2.50 0.06 0.00 1.34 0.00 0.00 72.50 71.04 2cuh s THR 12 CO 0.43 0.00 1.04 0.00 -0.54 0.00 0.00 174.62 175.55 2cuh n GLN 13 N -0.40 -6.25 -1.69 3.99 1.13 -1.26 -2.93 117.38 109.97 2cuh n GLN 13 Ca 0.04 0.66 -0.43 0.00 -1.94 0.00 0.00 57.00 55.33 2cuh n GLN 13 Cb 0.64 -5.61 -0.03 0.00 0.11 0.00 0.00 30.24 25.35 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 -4.78 3.88 -4.37 1.08 7.94 -1.26 -4.67 117.00 114.81 2cuh n LEU 14 Ca 0.03 1.00 -0.24 0.00 -1.11 0.00 0.00 56.01 55.69 2cuh n LEU 14 Cb 0.54 -1.51 -0.11 0.00 0.53 0.00 0.00 43.42 42.86 2cuh n LEU 14 CO 0.73 0.10 -0.50 -0.60 -1.11 0.00 0.00 177.39 176.01 2cuh s ARG 15 N 2.68 1.38 -0.48 1.96 3.52 -1.00 -4.97 118.95 122.04 2cuh s ARG 15 Ca 0.83 -1.46 -0.16 0.00 -0.13 0.00 0.00 55.73 54.81 2cuh s ARG 15 Cb -0.53 -1.54 0.07 0.00 -1.56 0.00 0.00 34.95 31.39 2cuh s ARG 15 CO 0.39 0.32 0.43 0.00 -0.81 0.00 0.00 175.30 175.63 2cuh s ALA 16 N -1.90 3.54 0.85 6.12 0.00 -1.26 -3.75 121.76 125.36 2cuh s ALA 16 Ca 0.18 -2.07 -0.12 0.00 0.00 0.00 0.00 51.96 49.95 2cuh s ALA 16 Cb -0.07 -3.12 0.10 0.00 0.00 0.00 0.00 23.12 20.04 2cuh s ALA 16 CO 0.08 -1.78 1.11 -1.17 0.00 0.00 0.00 175.76 174.01 2cuh s LEU 17 N 1.78 2.33 -0.09 0.00 0.20 -1.26 -4.97 118.68 116.67 2cuh s LEU 17 Ca 0.06 1.19 -0.30 0.00 0.69 0.00 0.00 54.13 55.77 2cuh s LEU 17 Cb -0.24 -3.67 -0.04 0.00 -0.43 0.00 0.00 46.19 41.82 2cuh s LEU 17 CO 0.07 -2.26 1.45 0.21 -0.29 0.00 0.00 176.35 175.53 2cuh s ASN 18 N -3.91 6.82 0.91 3.68 3.04 -1.26 -4.92 114.94 119.30 2cuh s ASN 18 Ca 0.62 1.98 -0.11 0.00 0.04 0.00 0.00 52.86 55.40 2cuh s ASN 18 Cb -0.15 -2.54 0.14 0.00 -1.54 0.00 0.00 41.25 37.16 2cuh s ASN 18 CO 0.54 -0.82 1.12 -0.76 -3.04 0.00 0.00 177.10 174.13 2cuh s LEU 19 N 3.57 2.61 -0.06 3.21 2.01 -1.26 -5.03 118.68 123.72 2cuh s LEU 19 Ca 0.64 1.98 0.03 0.00 0.01 0.00 0.00 54.13 56.79 2cuh s LEU 19 Cb -0.28 -4.38 0.01 0.00 0.01 0.00 0.00 46.19 41.55 2cuh s LEU 19 CO 0.23 -2.98 -0.15 -0.89 1.01 0.00 0.00 176.35 173.57 2cuh s THR 20 N -2.70 1.32 -1.63 5.49 2.01 -1.13 -4.78 115.64 114.21 2cuh s THR 20 Ca 0.65 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 61.85 2cuh s THR 20 Cb -0.21 -1.17 0.21 0.00 0.01 0.00 0.00 72.50 71.33 2cuh s THR 20 CO 0.58 0.39 0.52 1.21 -0.69 0.00 0.00 174.62 176.63 2cuh n GLU 21 N 3.61 -0.87 -2.50 4.92 4.07 -1.26 0.72 120.64 129.34 2cuh n GLU 21 Ca -0.21 0.12 -0.04 0.00 -0.06 0.00 0.00 57.16 56.97 2cuh n GLU 21 Cb 0.52 -4.33 0.02 0.00 -0.06 0.00 0.00 31.44 27.59 2cuh n GLU 21 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2cuh n GLY 22 N -0.98 0.45 3.02 8.31 0.00 -1.26 -5.05 105.19 109.68 2cuh n GLY 22 Ca 0.10 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 2cuh n GLY 22 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2cuh s PHE 23 N -3.07 2.62 -0.22 1.61 5.36 0.22 -5.06 117.98 119.44 2cuh s PHE 23 Ca 0.06 -1.76 -0.13 0.00 -0.96 0.00 0.00 56.93 54.14 2cuh s PHE 23 Cb -0.03 -1.72 -0.04 0.00 -0.34 0.00 0.00 43.02 40.89 2cuh s PHE 23 CO 0.15 -0.78 0.28 0.00 -1.46 0.00 0.00 175.22 173.41 2cuh s ALA 24 N 1.33 3.58 0.18 11.12 0.00 -1.25 -2.84 121.76 133.88 2cuh s ALA 24 Ca -0.03 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.24 2cuh s ALA 24 Cb -0.17 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 2cuh s ALA 24 CO -0.08 -0.25 0.01 0.14 0.00 0.00 0.00 175.76 175.58 2cuh s VAL 25 N 1.20 0.69 0.10 0.00 -7.23 -1.26 -0.45 120.40 113.45 2cuh s VAL 25 Ca 0.13 -1.99 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 2cuh s VAL 25 Cb -0.14 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 2cuh s VAL 25 CO 0.06 -0.43 0.13 -0.76 -0.31 0.00 0.00 175.10 173.79 2cuh s LEU 26 N -3.19 3.92 -0.06 1.32 1.43 -1.10 -4.65 118.68 116.35 2cuh s LEU 26 Ca 0.25 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.34 2cuh s LEU 26 Cb 0.06 -2.56 0.03 0.00 0.03 0.00 0.00 46.19 43.75 2cuh s LEU 26 CO 0.05 0.14 0.04 -1.00 0.23 0.00 0.00 176.35 175.81 2cuh s HIS 27 N -1.53 0.30 0.13 0.29 3.76 -1.25 -3.29 115.29 113.71 2cuh s HIS 27 Ca 0.31 0.04 0.07 0.00 -0.15 0.00 0.00 55.06 55.33 2cuh s HIS 27 Cb -0.12 -0.62 -0.04 0.00 1.11 0.00 0.00 32.58 32.92 2cuh s HIS 27 CO 0.24 -0.27 -0.16 1.67 -0.85 0.00 0.00 174.74 175.36 2cuh s TRP 28 N 2.09 1.55 -0.21 1.40 -2.14 -1.26 -2.37 118.94 118.01 2cuh s TRP 28 Ca 0.05 -0.51 -0.17 0.00 2.66 0.00 0.00 56.10 58.14 2cuh s TRP 28 Cb -0.13 -0.81 -0.04 0.00 -3.10 0.00 0.00 33.47 29.40 2cuh s TRP 28 CO -0.04 0.19 0.43 0.21 -2.66 0.00 0.00 176.95 175.09 2cuh s LYS 29 N -2.52 4.15 0.03 3.25 2.20 -1.15 -4.89 119.74 120.81 2cuh s LYS 29 Ca 0.09 0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.65 2cuh s LYS 29 Cb -0.06 -3.56 -0.06 0.00 -1.51 0.00 0.00 37.83 32.63 2cuh s LYS 29 CO 0.04 -0.11 1.43 -1.25 -0.36 0.00 0.00 175.35 175.10 2cuh s PRO 30 N 1.54 4.28 0.92 4.03 0.04 -1.26 -3.70 135.00 140.85 2cuh s PRO 30 Ca 0.20 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.15 2cuh s PRO 30 Cb -0.15 -3.53 0.14 0.00 0.04 0.00 0.00 34.50 31.00 2cuh s PRO 30 CO 0.09 -0.58 1.09 -1.25 0.04 0.00 0.00 177.00 176.39 2cuh s PRO 31 N 2.26 1.07 0.28 0.56 0.04 -1.26 -4.88 135.00 133.06 2cuh s PRO 31 Ca 0.65 0.75 0.04 0.00 0.04 0.00 0.00 61.00 62.48 2cuh s PRO 31 Cb -0.33 -1.79 0.75 0.00 0.04 0.00 0.00 34.50 33.16 2cuh s PRO 31 CO 0.28 -2.35 1.36 0.94 0.04 0.00 0.00 177.00 177.26 2cuh n GLN 32 N -3.95 -0.07 -4.13 4.56 -0.06 -1.26 -3.88 117.38 108.60 2cuh n GLN 32 Ca 0.07 1.28 -0.34 0.00 -2.00 0.00 0.00 57.00 56.00 2cuh n GLN 32 Cb 0.56 -2.07 -0.14 0.00 -4.06 0.00 0.00 30.24 24.53 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 -4.94 4.36 0.35 1.69 2.47 -1.26 -5.10 114.94 112.51 2cuh s ASN 33 Ca -0.11 -0.33 -0.27 0.00 0.42 0.00 0.00 52.86 52.57 2cuh s ASN 33 Cb 0.26 -1.73 -0.09 0.00 -1.45 0.00 0.00 41.25 38.24 2cuh s ASN 33 CO 0.67 0.04 1.21 -2.16 -3.72 0.00 0.00 177.10 173.14 2cuh s PRO 34 N 1.12 4.28 0.54 0.43 0.04 -1.25 -4.90 135.00 135.25 2cuh s PRO 34 Ca 0.01 1.98 -0.06 0.00 0.04 0.00 0.00 61.00 62.97 2cuh s PRO 34 Cb -0.15 -2.93 0.12 0.00 0.04 0.00 0.00 34.50 31.58 2cuh s PRO 34 CO -0.01 -0.16 0.73 1.33 0.04 0.00 0.00 177.00 178.93 2cuh n VAL 35 N 0.58 0.00 -0.13 -0.36 0.24 -1.26 -5.06 118.33 112.34 2cuh n VAL 35 Ca 0.02 -0.76 -0.28 0.00 -2.04 0.00 0.00 64.34 61.28 2cuh n VAL 35 Cb 0.44 -1.43 -0.10 0.00 -1.47 0.00 0.00 33.84 31.28 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 -3.28 1.93 -3.84 -1.34 8.00 -1.19 -4.19 116.55 112.65 2cuh n ASP 36 Ca 0.10 0.36 -0.12 0.00 0.71 0.00 0.00 54.79 55.84 2cuh n ASP 36 Cb 0.36 -0.86 -0.13 0.00 -0.02 0.00 0.00 41.12 40.47 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 -2.47 -0.00 -0.22 -3.53 -4.23 -1.25 0.91 115.64 104.85 2cuh s THR 37 Ca -0.36 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 60.07 2cuh s THR 37 Cb 0.12 -0.12 -0.05 0.00 1.34 0.00 0.00 72.50 73.80 2cuh s THR 37 CO 0.52 0.01 0.13 -0.31 -0.54 0.00 0.00 174.62 174.42 2cuh s TYR 38 N 0.12 3.30 -0.37 3.99 2.02 -0.25 -0.72 117.35 125.45 2cuh s TYR 38 Ca -0.01 0.15 -0.17 0.00 -0.37 0.00 0.00 57.07 56.67 2cuh s TYR 38 Cb -0.01 -2.21 0.00 0.00 -0.40 0.00 0.00 41.96 39.34 2cuh s TYR 38 CO -0.00 0.09 0.47 0.34 -1.57 0.00 0.00 175.55 174.87 2cuh s ASP 39 N 0.84 6.26 -0.09 2.29 -1.08 -0.98 -2.89 116.67 121.02 2cuh s ASP 39 Ca 0.06 -0.22 0.01 0.00 -0.52 0.00 0.00 52.55 51.89 2cuh s ASP 39 Cb -0.13 -2.25 -0.02 0.00 -1.46 0.00 0.00 42.92 39.06 2cuh s ASP 39 CO 0.03 -0.48 -0.10 -0.63 0.52 0.00 0.00 175.17 174.50 2cuh s ILE 40 N 2.28 3.39 -0.17 4.11 1.09 -1.22 0.07 121.20 130.74 2cuh s ILE 40 Ca 0.16 -0.58 -0.01 0.00 -1.10 0.00 0.00 60.65 59.12 2cuh s ILE 40 Cb -0.16 -2.39 0.05 0.00 -1.06 0.00 0.00 42.46 38.90 2cuh s ILE 40 CO 0.13 0.57 -0.03 -1.58 -0.10 0.00 0.00 174.94 173.93 2cuh s GLN 41 N -0.38 1.21 -0.20 2.79 0.74 -0.53 -3.46 119.66 119.82 2cuh s GLN 41 Ca 0.05 -0.49 -0.07 0.00 0.05 0.00 0.00 55.36 54.89 2cuh s GLN 41 Cb -0.12 -2.01 -0.04 0.00 1.10 0.00 0.00 33.01 31.95 2cuh s GLN 41 CO 0.02 -0.48 0.06 0.08 -0.55 0.00 0.00 175.29 174.42 2cuh s VAL 42 N 1.69 4.59 0.10 1.34 1.01 -0.86 -0.70 120.40 127.56 2cuh s VAL 42 Ca -0.00 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 2cuh s VAL 42 Cb -0.16 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 2cuh s VAL 42 CO -0.07 0.42 0.20 0.42 0.00 0.00 0.00 175.10 176.06 2cuh s THR 43 N 0.79 0.13 0.19 3.92 -4.23 -0.02 -1.57 115.64 114.85 2cuh s THR 43 Ca 0.03 -1.21 -0.22 0.00 -1.18 0.00 0.00 61.69 59.11 2cuh s THR 43 Cb -0.14 -1.40 0.06 0.00 1.34 0.00 0.00 72.50 72.36 2cuh s THR 43 CO 0.02 -0.61 0.63 0.00 -0.54 0.00 0.00 174.62 174.12 2cuh s ALA 44 N -3.88 -1.50 -0.95 3.99 0.00 -1.26 -0.47 121.76 117.70 2cuh s ALA 44 Ca 0.07 0.28 -0.24 0.00 0.00 0.00 0.00 51.96 52.07 2cuh s ALA 44 Cb 0.05 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.99 2cuh s ALA 44 CO -0.10 -0.84 1.95 -1.25 0.00 0.00 0.00 175.76 175.52 2cuh s PRO 45 N -3.79 2.54 0.00 0.00 0.04 -1.26 -3.08 135.00 129.45 2cuh s PRO 45 Ca 0.04 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.64 2cuh s PRO 45 Cb -0.02 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.43 2cuh s PRO 45 CO -0.08 -3.48 0.00 0.41 0.04 0.00 0.00 177.00 173.89 2cuh n GLY 46 N 6.68 2.66 3.77 0.56 0.00 -1.26 -5.09 105.19 112.52 2cuh n GLY 46 Ca 0.41 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.48 2.63 0.50 4.61 0.00 -1.18 -5.00 121.76 122.83 2cuh s ALA 47 Ca 0.00 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 2cuh s ALA 47 Cb 0.00 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.71 2cuh s ALA 47 CO 0.00 -0.93 1.15 -1.25 0.00 0.00 0.00 175.76 174.73 2cuh s PRO 48 N -3.58 3.59 0.38 0.00 0.04 -1.26 -4.33 135.00 129.83 2cuh s PRO 48 Ca 0.70 1.70 -0.26 0.00 0.04 0.00 0.00 61.00 63.19 2cuh s PRO 48 Cb -0.22 -2.23 -0.09 0.00 0.04 0.00 0.00 34.50 32.00 2cuh s PRO 48 CO 0.32 -0.68 1.20 -1.25 0.04 0.00 0.00 177.00 176.63 2cuh s PRO 49 N -2.95 4.12 -0.06 0.56 0.04 -1.26 -4.76 135.00 130.68 2cuh s PRO 49 Ca 0.68 1.92 0.02 0.00 0.04 0.00 0.00 61.00 63.65 2cuh s PRO 49 Cb -0.26 -2.76 0.01 0.00 0.04 0.00 0.00 34.50 31.52 2cuh s PRO 49 CO 0.31 -0.29 -0.11 -1.17 0.04 0.00 0.00 177.00 175.79 2cuh s LEU 50 N -2.34 1.59 -0.03 -3.56 2.96 -0.61 -5.04 118.68 111.65 2cuh s LEU 50 Ca 0.55 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.24 2cuh s LEU 50 Cb -0.33 -0.75 -0.00 0.00 0.50 0.00 0.00 46.19 45.61 2cuh s LEU 50 CO 0.42 0.02 -0.16 -1.58 -1.32 0.00 0.00 176.35 173.73 2cuh s GLN 51 N 0.69 1.56 0.35 1.98 0.74 -1.26 -2.02 119.66 121.70 2cuh s GLN 51 Ca -0.14 -0.55 -0.13 0.00 0.05 0.00 0.00 55.36 54.59 2cuh s GLN 51 Cb -0.15 -1.39 0.03 0.00 1.10 0.00 0.00 33.01 32.60 2cuh s GLN 51 CO 0.03 0.24 0.68 0.00 -0.55 0.00 0.00 175.29 175.69 2cuh s ALA 52 N -0.01 -0.36 0.06 1.58 0.00 -1.23 -5.08 121.76 116.72 2cuh s ALA 52 Ca -0.02 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.89 2cuh s ALA 52 Cb -0.10 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.89 2cuh s ALA 52 CO 0.01 -0.93 0.30 -2.00 0.00 0.00 0.00 175.76 173.15 2cuh s GLU 53 N -2.82 0.85 0.01 0.00 2.56 -1.26 -3.42 118.70 114.61 2cuh s GLU 53 Ca 0.19 -0.59 -0.02 0.00 0.00 0.00 0.00 54.97 54.55 2cuh s GLU 53 Cb -0.04 0.37 -0.01 0.00 2.00 0.00 0.00 34.13 36.45 2cuh s GLU 53 CO 0.13 -0.28 0.04 -0.08 -0.56 0.00 0.00 175.26 174.50 2cuh s THR 54 N -2.89 0.08 0.46 -1.70 -1.32 -1.14 -4.99 115.64 104.14 2cuh s THR 54 Ca -0.03 -0.63 -0.23 0.00 -1.21 0.00 0.00 61.69 59.60 2cuh s THR 54 Cb 0.00 -0.27 -0.07 0.00 -1.51 0.00 0.00 72.50 70.65 2cuh s THR 54 CO -0.05 -0.35 1.16 -2.16 -2.21 0.00 0.00 174.62 171.01 2cuh s PRO 55 N -1.08 3.75 0.44 7.08 0.04 -1.26 -1.09 135.00 142.88 2cuh s PRO 55 Ca -0.12 1.77 0.20 0.00 0.04 0.00 0.00 61.00 62.89 2cuh s PRO 55 Cb -0.07 -2.40 1.10 0.00 0.04 0.00 0.00 34.50 33.17 2cuh s PRO 55 CO -0.00 -0.56 1.57 0.78 0.04 0.00 0.00 177.00 178.83 2cuh h GLY 56 N 2.03 0.00 -0.97 0.56 0.00 0.36 0.12 103.07 105.17 2cuh h GLY 56 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2cuh h GLY 56 CO 0.60 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.00 2cuh n SER 57 N -2.37 1.16 -4.14 0.19 3.41 -1.26 -4.75 113.62 105.86 2cuh n SER 57 Ca -0.01 -2.06 -0.23 0.00 -0.26 0.00 0.00 58.87 56.30 2cuh n SER 57 Cb 0.30 -0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 63.71 2cuh n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2cuh s ALA 58 N -1.37 1.29 -0.16 7.33 0.00 0.43 -5.03 121.76 124.24 2cuh s ALA 58 Ca 0.05 -0.70 0.15 0.00 0.00 0.00 0.00 51.96 51.46 2cuh s ALA 58 Cb 0.04 -0.31 0.35 0.00 0.00 0.00 0.00 23.12 23.20 2cuh s ALA 58 CO 0.02 0.31 1.18 1.33 0.00 0.00 0.00 175.76 178.60 2cuh n VAL 59 N 2.56 1.89 -3.64 0.00 0.24 -1.26 -4.94 118.33 113.18 2cuh n VAL 59 Ca -0.15 -2.61 -0.07 0.00 -2.04 0.00 0.00 64.34 59.46 2cuh n VAL 59 Cb 0.55 -0.15 -0.07 0.00 -1.47 0.00 0.00 33.84 32.70 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 -2.95 -0.42 -0.34 -1.34 1.47 -1.26 -4.03 116.67 107.81 2cuh s ASP 60 Ca 0.34 0.78 -0.00 0.00 1.18 0.00 0.00 52.55 54.84 2cuh s ASP 60 Cb 0.32 0.85 0.11 0.00 -0.34 0.00 0.00 42.92 43.86 2cuh s ASP 60 CO -0.03 -0.13 0.15 -0.47 0.68 0.00 0.00 175.17 175.36 2cuh s TYR 61 N 0.39 1.56 -0.02 2.11 5.04 -1.21 -4.98 117.35 120.24 2cuh s TYR 61 Ca 0.02 -1.82 -0.30 0.00 -2.44 0.00 0.00 57.07 52.52 2cuh s TYR 61 Cb -0.05 -1.61 -0.05 0.00 0.35 0.00 0.00 41.96 40.60 2cuh s TYR 61 CO -0.09 -0.85 1.46 -1.25 -1.34 0.00 0.00 175.55 173.49 2cuh s PRO 62 N 1.29 4.25 -0.15 4.97 0.04 -1.26 -2.70 135.00 141.44 2cuh s PRO 62 Ca 0.13 2.02 -0.07 0.00 0.04 0.00 0.00 61.00 63.11 2cuh s PRO 62 Cb -0.20 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 2cuh s PRO 62 CO -0.17 -0.66 0.09 -0.51 0.04 0.00 0.00 177.00 175.79 2cuh s LEU 63 N 2.86 4.06 0.51 -3.56 1.43 0.40 -4.96 118.68 119.43 2cuh s LEU 63 Ca 0.66 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 2cuh s LEU 63 Cb -0.32 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 2cuh s LEU 63 CO 0.26 0.29 0.02 -1.38 0.23 0.00 0.00 176.35 175.77 2cuh s HIS 64 N -0.31 1.78 -1.40 0.29 -3.43 -1.26 -3.92 115.29 107.04 2cuh s HIS 64 Ca 0.10 -1.05 -0.01 0.00 -0.80 0.00 0.00 55.06 53.30 2cuh s HIS 64 Cb -0.12 -1.52 0.00 0.00 -1.43 0.00 0.00 32.58 29.51 2cuh s HIS 64 CO 0.01 0.12 0.19 -0.25 -2.00 0.00 0.00 174.74 172.81 2cuh n ASP 65 N -1.32 -5.15 -4.81 7.38 8.00 -1.26 -4.99 116.55 114.40 2cuh n ASP 65 Ca -0.19 -0.10 -0.36 0.00 0.71 0.00 0.00 54.79 54.85 2cuh n ASP 65 Cb 0.67 -4.14 -0.07 0.00 -0.02 0.00 0.00 41.12 37.55 2cuh n ASP 65 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cuh s LEU 66 N -5.16 4.31 -0.21 0.64 1.02 -1.26 -5.05 118.68 112.96 2cuh s LEU 66 Ca 0.09 0.36 -0.29 0.00 0.02 0.00 0.00 54.13 54.32 2cuh s LEU 66 Cb -0.04 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 44.05 2cuh s LEU 66 CO 0.12 0.30 1.62 -0.69 0.02 0.00 0.00 176.35 177.72 2cuh s VAL 67 N -0.38 3.69 0.00 -1.59 1.01 -1.26 -4.92 120.40 116.94 2cuh s VAL 67 Ca 0.12 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.88 2cuh s VAL 67 Cb -0.12 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2cuh s VAL 67 CO 0.01 -0.28 0.89 0.18 0.00 0.00 0.00 175.10 175.91 2cuh n LEU 68 N 8.39 0.00 -3.69 3.92 7.99 -1.26 -2.04 117.00 130.31 2cuh n LEU 68 Ca 0.19 0.89 -0.43 0.00 -0.01 0.00 0.00 56.01 56.65 2cuh n LEU 68 Cb 0.45 -0.42 -0.03 0.00 -0.11 0.00 0.00 43.42 43.31 2cuh n LEU 68 CO 0.64 -0.42 2.40 1.41 -1.51 0.00 0.00 177.39 179.91 2cuh n HIS 69 N -2.76 2.73 -3.57 -1.77 8.25 -1.26 -3.38 115.22 113.46 2cuh n HIS 69 Ca 0.00 -2.40 -0.01 0.00 -0.26 0.00 0.00 57.72 55.05 2cuh n HIS 69 Cb 0.00 -2.14 -0.06 0.00 1.12 0.00 0.00 29.99 28.91 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 4.13 -0.15 -0.48 1.59 2.01 -0.87 -5.09 115.64 116.78 2cuh s THR 70 Ca 0.52 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 62.25 2cuh s THR 70 Cb 0.14 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.68 2cuh s THR 70 CO 0.01 0.00 1.04 0.20 -0.69 0.00 0.00 174.62 175.18 2cuh s ASN 71 N 1.67 6.56 -0.27 3.53 -0.87 -1.26 -3.98 114.94 120.31 2cuh s ASN 71 Ca -0.07 0.27 -0.14 0.00 -1.57 0.00 0.00 52.86 51.35 2cuh s ASN 71 Cb -0.04 -2.50 -0.04 0.00 -0.02 0.00 0.00 41.25 38.64 2cuh s ASN 71 CO -0.15 -1.17 0.32 -0.31 -2.57 0.00 0.00 177.10 173.21 2cuh s TYR 72 N 4.15 3.25 -0.28 2.20 2.02 -1.26 -4.64 117.35 122.80 2cuh s TYR 72 Ca 0.42 0.35 -0.16 0.00 -0.37 0.00 0.00 57.07 57.31 2cuh s TYR 72 Cb -0.09 -2.51 -0.03 0.00 -0.40 0.00 0.00 41.96 38.94 2cuh s TYR 72 CO 0.29 -0.18 0.43 0.99 -1.57 0.00 0.00 175.55 175.51 2cuh s THR 73 N 1.90 5.12 0.03 -0.71 2.01 0.38 -4.18 115.64 120.20 2cuh s THR 73 Ca 0.13 0.61 0.02 0.00 0.31 0.00 0.00 61.69 62.76 2cuh s THR 73 Cb -0.16 -3.78 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 2cuh s THR 73 CO 0.10 0.07 0.01 0.00 -0.69 0.00 0.00 174.62 174.11 2cuh s ALA 74 N 2.18 3.32 -0.28 7.40 0.00 -1.25 -0.84 121.76 132.29 2cuh s ALA 74 Ca 0.17 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 2cuh s ALA 74 Cb -0.16 -1.32 0.09 0.00 0.00 0.00 0.00 23.12 21.74 2cuh s ALA 74 CO 0.10 0.67 0.07 0.99 0.00 0.00 0.00 175.76 177.59 2cuh s THR 75 N -1.17 0.91 0.20 0.00 2.01 0.13 -3.11 115.64 114.60 2cuh s THR 75 Ca 0.22 -1.25 -0.14 0.00 0.31 0.00 0.00 61.69 60.83 2cuh s THR 75 Cb -0.12 -1.59 -0.07 0.00 0.01 0.00 0.00 72.50 70.73 2cuh s THR 75 CO 0.13 -0.54 0.60 -0.69 -0.69 0.00 0.00 174.62 173.44 2cuh s VAL 76 N 1.62 4.80 0.26 3.82 1.01 -0.12 -1.45 120.40 130.35 2cuh s VAL 76 Ca 0.06 0.83 0.03 0.00 0.00 0.00 0.00 61.98 62.90 2cuh s VAL 76 Cb -0.17 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2cuh s VAL 76 CO -0.20 0.10 0.19 -0.13 0.00 0.00 0.00 175.10 175.07 2cuh s ARG 77 N -2.31 1.45 -0.20 2.72 0.52 0.11 0.03 118.95 121.28 2cuh s ARG 77 Ca 0.43 -1.81 0.00 0.00 -0.52 0.00 0.00 55.73 53.84 2cuh s ARG 77 Cb -0.14 0.28 0.05 0.00 0.52 0.00 0.00 34.95 35.66 2cuh s ARG 77 CO 0.20 -0.50 -0.07 0.20 0.02 0.00 0.00 175.30 175.15 2cuh s GLY 78 N -3.26 1.13 -0.68 -3.53 0.00 -1.26 -2.32 107.32 97.40 2cuh s GLY 78 Ca 0.40 -1.08 -0.24 0.00 0.00 0.00 0.00 44.72 43.79 2cuh s GLY 78 CO 0.19 0.87 1.09 1.08 0.00 0.00 0.00 173.10 176.33 2cuh s LEU 79 N 1.50 3.88 -0.46 0.66 2.01 0.10 -1.02 118.68 125.36 2cuh s LEU 79 Ca -0.02 -0.74 0.02 0.00 0.01 0.00 0.00 54.13 53.41 2cuh s LEU 79 Cb -0.17 -2.50 0.12 0.00 0.01 0.00 0.00 46.19 43.65 2cuh s LEU 79 CO -0.08 -1.59 0.20 -0.13 1.01 0.00 0.00 176.35 175.77 2cuh s ARG 80 N 4.72 1.88 3.47 1.70 1.81 -1.14 -3.16 118.95 128.24 2cuh s ARG 80 Ca 0.28 -2.27 0.00 0.00 -1.72 0.00 0.00 55.73 52.02 2cuh s ARG 80 Cb -0.13 -3.36 0.00 0.00 -0.45 0.00 0.00 34.95 31.00 2cuh s ARG 80 CO 0.13 -1.06 0.00 0.41 -0.68 0.00 0.00 175.30 174.10 2cuh n GLY 81 N 3.72 0.50 0.00 -3.53 0.00 -1.26 -2.72 105.19 101.90 2cuh n GLY 81 Ca 0.04 -0.81 0.05 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.73 135.00 126.36 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 -0.09 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 -1.82 3.93 0.31 3.54 0.01 -1.10 -5.17 114.94 114.64 2cuh s ASN 83 Ca 0.15 -1.57 0.06 0.00 -0.71 0.00 0.00 52.86 50.78 2cuh s ASN 83 Cb 0.07 0.26 -0.06 0.00 0.41 0.00 0.00 41.25 41.92 2cuh s ASN 83 CO 0.11 -0.74 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.19 2cuh s LEU 84 N -3.81 2.44 0.53 0.60 1.43 -1.26 -2.86 118.68 115.75 2cuh s LEU 84 Ca 0.15 -1.27 0.07 0.00 -1.03 0.00 0.00 54.13 52.05 2cuh s LEU 84 Cb 0.04 -0.59 0.04 0.00 0.03 0.00 0.00 46.19 45.71 2cuh s LEU 84 CO 0.08 -0.44 0.48 0.42 0.23 0.00 0.00 176.35 177.13 2cuh s THR 85 N -3.06 1.90 -0.01 5.49 -4.23 -0.19 -4.88 115.64 110.66 2cuh s THR 85 Ca 0.32 -1.37 -0.30 0.00 -1.18 0.00 0.00 61.69 59.16 2cuh s THR 85 Cb 0.06 -2.27 -0.05 0.00 1.34 0.00 0.00 72.50 71.58 2cuh s THR 85 CO 0.14 0.00 1.41 -0.94 -0.54 0.00 0.00 174.62 174.69 2cuh s SER 86 N -4.34 6.84 0.58 3.99 1.04 -1.26 -4.50 113.70 116.06 2cuh s SER 86 Ca 0.42 2.11 -0.18 0.00 0.48 0.00 0.00 55.95 58.78 2cuh s SER 86 Cb -0.03 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.49 2cuh s SER 86 CO 0.26 -0.73 1.12 -2.16 0.98 0.00 0.00 173.24 172.71 2cuh s PRO 87 N 2.49 3.17 -0.15 4.02 0.04 -1.26 -4.26 135.00 139.05 2cuh s PRO 87 Ca 0.64 1.53 -0.01 0.00 0.04 0.00 0.00 61.00 63.20 2cuh s PRO 87 Cb -0.31 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.28 2cuh s PRO 87 CO 0.26 -0.98 -0.03 0.00 0.04 0.00 0.00 177.00 176.29 2cuh s ALA 88 N -1.98 1.21 0.17 8.56 0.00 0.10 -4.96 121.76 124.88 2cuh s ALA 88 Ca 0.71 -0.63 0.09 0.00 0.00 0.00 0.00 51.96 52.12 2cuh s ALA 88 Cb -0.23 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 2cuh s ALA 88 CO 0.32 -0.75 -0.11 0.45 0.00 0.00 0.00 175.76 175.66 2cuh s SER 89 N 1.75 4.18 -0.04 0.00 0.15 -1.26 -0.94 113.70 117.53 2cuh s SER 89 Ca 0.02 -0.59 -0.29 0.00 0.70 0.00 0.00 55.95 55.79 2cuh s SER 89 Cb -0.15 -0.68 0.06 0.00 -1.71 0.00 0.00 66.02 63.55 2cuh s SER 89 CO -0.07 0.11 0.63 -0.51 1.20 0.00 0.00 173.24 174.60 2cuh s ILE 90 N -1.63 0.01 -0.22 6.45 2.07 -1.18 -4.93 121.20 121.77 2cuh s ILE 90 Ca 0.24 -0.07 -0.09 0.00 -1.41 0.00 0.00 60.65 59.32 2cuh s ILE 90 Cb -0.09 -0.95 -0.04 0.00 0.13 0.00 0.00 42.46 41.51 2cuh s ILE 90 CO 0.14 -0.04 0.11 -0.89 -1.91 0.00 0.00 174.94 172.36 2cuh s THR 91 N -1.23 5.07 -0.11 4.00 2.01 -1.26 -3.74 115.64 120.38 2cuh s THR 91 Ca -0.11 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 61.92 2cuh s THR 91 Cb -0.01 -3.33 0.05 0.00 0.01 0.00 0.00 72.50 69.22 2cuh s THR 91 CO 0.09 0.40 0.23 0.72 -0.69 0.00 0.00 174.62 175.37 2cuh s PHE 92 N 0.78 -0.34 0.40 4.92 -0.12 -1.26 -4.98 117.98 117.38 2cuh s PHE 92 Ca 0.06 0.82 -0.24 0.00 -0.05 0.00 0.00 56.93 57.51 2cuh s PHE 92 Cb -0.13 -0.04 -0.09 0.00 -0.63 0.00 0.00 43.02 42.13 2cuh s PHE 92 CO 0.02 -0.29 1.08 0.99 -0.05 0.00 0.00 175.22 176.97 2cuh s THR 93 N 1.90 3.58 -0.43 -4.49 2.01 -1.26 -3.98 115.64 112.97 2cuh s THR 93 Ca -0.03 1.25 0.07 0.00 0.31 0.00 0.00 61.69 63.29 2cuh s THR 93 Cb -0.11 -3.66 0.53 0.00 0.01 0.00 0.00 72.50 69.27 2cuh s THR 93 CO -0.08 0.04 1.44 0.35 -0.69 0.00 0.00 174.62 175.68 2cuh n THR 94 N 0.00 2.08 -3.36 -0.82 -2.24 -1.22 -4.65 114.28 104.08 2cuh n THR 94 Ca 0.05 -1.06 -0.17 0.00 -2.27 0.00 0.00 64.05 60.59 2cuh n THR 94 Cb 0.49 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.20 2cuh n THR 94 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2cuh s GLY 95 N -0.54 -0.01 -0.27 3.38 0.00 -1.23 -4.27 107.32 104.38 2cuh s GLY 95 Ca 0.38 -0.99 0.11 0.00 0.00 0.00 0.00 44.72 44.22 2cuh s GLY 95 CO 0.10 2.73 1.18 -0.10 0.00 0.00 0.00 173.10 177.00 2cuh n LEU 96 N 4.25 4.00 -3.33 0.66 7.94 -1.26 -4.98 117.00 124.28 2cuh n LEU 96 Ca 0.11 -4.28 0.02 0.00 -1.11 0.00 0.00 56.01 50.75 2cuh n LEU 96 Cb 0.45 -0.19 -0.02 0.00 0.53 0.00 0.00 43.42 44.19 2cuh n LEU 96 CO 0.08 1.80 0.20 -1.61 -1.11 0.00 0.00 177.39 176.76 2cuh s GLU 97 N -3.53 0.57 -0.26 1.96 8.01 -1.26 -5.07 118.70 119.12 2cuh s GLU 97 Ca 0.45 1.16 -0.27 0.00 0.01 0.00 0.00 54.97 56.32 2cuh s GLU 97 Cb 0.39 0.67 0.15 0.00 -4.31 0.00 0.00 34.13 31.03 2cuh s GLU 97 CO 0.01 -0.47 1.17 0.00 0.01 0.00 0.00 175.26 175.99 2cuh s ALA 98 N 2.87 -2.05 0.25 5.21 0.00 -1.26 -5.11 121.76 121.67 2cuh s ALA 98 Ca 0.11 1.76 -0.30 0.00 0.00 0.00 0.00 51.96 53.54 2cuh s ALA 98 Cb -0.14 -1.37 -0.09 0.00 0.00 0.00 0.00 23.12 21.52 2cuh s ALA 98 CO -0.20 -0.22 1.27 -1.25 0.00 0.00 0.00 175.76 175.36 2cuh s PRO 99 N -0.29 4.42 -1.13 0.00 0.04 -1.26 -3.54 135.00 133.25 2cuh s PRO 99 Ca 0.04 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.13 2cuh s PRO 99 Cb -0.03 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2cuh s PRO 99 CO -0.07 -0.15 0.00 0.54 0.04 0.00 0.00 177.00 177.36 2cuh n ARG 100 N 1.90 -0.95 0.00 4.56 1.74 -1.26 -4.75 116.66 117.90 2cuh n ARG 100 Ca 0.03 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2cuh n ARG 100 Cb 0.43 -2.61 0.00 0.00 -1.02 0.00 0.00 32.46 29.26 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 -2.03 2.13 -0.13 0.55 -0.08 -1.23 -4.60 116.55 111.16 2cuh n ASP 101 Ca -0.24 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 52.76 2cuh n ASP 101 Cb 0.51 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.87 2cuh n ASP 101 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2cuh n LEU 102 N -2.70 1.95 0.11 -2.67 4.32 -1.26 -4.66 117.00 112.08 2cuh n LEU 102 Ca 0.00 0.35 -0.12 0.00 -0.02 0.00 0.00 56.01 56.22 2cuh n LEU 102 Cb 0.48 -0.84 -0.08 0.00 -1.62 0.00 0.00 43.42 41.37 2cuh n LEU 102 CO 0.00 0.51 0.50 -0.33 -1.22 0.00 0.00 177.39 176.85 2cuh h GLU 103 N -1.00 -0.30 -7.37 3.23 5.08 -1.90 -3.45 114.58 108.87 2cuh h GLU 103 Ca -0.64 0.02 -0.49 0.00 -1.00 0.00 0.00 59.36 57.25 2cuh h GLU 103 Cb 1.56 0.07 0.13 0.00 0.50 0.00 0.00 28.75 31.00 2cuh h GLU 103 CO -0.39 0.06 0.30 0.00 -1.00 0.00 0.00 179.01 177.98 2cuh s ALA 104 N -4.41 1.95 -0.12 3.43 0.00 -1.26 -5.00 121.76 116.35 2cuh s ALA 104 Ca -0.14 -0.10 0.09 0.00 0.00 0.00 0.00 51.96 51.82 2cuh s ALA 104 Cb 0.02 -3.16 -0.24 0.00 0.00 0.00 0.00 23.12 19.74 2cuh s ALA 104 CO 0.53 -1.99 0.36 1.63 0.00 0.00 0.00 175.76 176.29 2cuh n LYS 105 N -3.63 0.67 -3.76 0.00 4.76 -1.26 -4.52 118.16 110.42 2cuh n LYS 105 Ca 0.07 0.20 -0.25 0.00 -2.87 0.00 0.00 58.31 55.46 2cuh n LYS 105 Cb 0.55 -1.68 0.04 0.00 -1.84 0.00 0.00 35.03 32.11 2cuh n LYS 105 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2cuh n GLU 106 N -3.08 -5.93 -4.39 1.97 2.13 -1.26 -4.97 120.64 105.10 2cuh n GLU 106 Ca -0.27 0.67 -0.34 0.00 0.66 0.00 0.00 57.16 57.88 2cuh n GLU 106 Cb 1.07 -5.51 -0.15 0.00 0.27 0.00 0.00 31.44 27.12 2cuh n GLU 106 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2cuh s VAL 107 N -3.41 2.98 -0.53 6.31 -7.23 -1.26 -5.07 120.40 112.19 2cuh s VAL 107 Ca 0.41 -0.66 0.04 0.00 -1.81 0.00 0.00 61.98 59.96 2cuh s VAL 107 Cb -0.20 -2.29 0.14 0.00 0.56 0.00 0.00 36.38 34.60 2cuh s VAL 107 CO 0.80 0.49 0.31 0.28 -0.31 0.00 0.00 175.10 176.67 2cuh s THR 108 N 0.88 2.08 -0.16 5.32 -1.32 -1.26 -5.09 115.64 116.09 2cuh s THR 108 Ca -0.03 -3.22 -0.29 0.00 -1.21 0.00 0.00 61.69 56.93 2cuh s THR 108 Cb -0.15 -2.42 -0.03 0.00 -1.51 0.00 0.00 72.50 68.39 2cuh s THR 108 CO -0.00 -0.91 1.57 -2.16 -2.21 0.00 0.00 174.62 170.90 2cuh s PRO 109 N -0.31 3.99 -0.33 7.08 0.04 -1.26 -4.98 135.00 139.24 2cuh s PRO 109 Ca 0.20 1.83 -0.22 0.00 0.04 0.00 0.00 61.00 62.85 2cuh s PRO 109 Cb -0.18 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2cuh s PRO 109 CO -0.05 -1.05 0.73 -1.54 0.04 0.00 0.00 177.00 175.13 2cuh s SER 110 N 3.55 6.57 -0.45 6.66 1.04 -1.26 -4.97 113.70 124.84 2cuh s SER 110 Ca 0.69 0.47 0.08 0.00 0.48 0.00 0.00 55.95 57.67 2cuh s SER 110 Cb -0.27 -2.38 0.26 0.00 0.10 0.00 0.00 66.02 63.73 2cuh s SER 110 CO 0.27 -0.61 0.58 0.61 0.98 0.00 0.00 173.24 175.07 2cuh n GLY 111 N 4.39 3.36 3.14 7.32 0.00 -1.26 -5.12 105.19 117.02 2cuh n GLY 111 Ca 0.02 -1.86 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 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 1.22 -2.94 -3.75 1.61 -0.04 -1.26 -5.10 135.00 124.74 2cuh n PRO 112 Ca 0.23 -1.57 -0.10 0.00 -0.04 0.00 0.00 63.50 62.03 2cuh n PRO 112 Cb 0.51 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.43 2cuh n PRO 112 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cuh s SER 113 N -4.14 -0.06 0.25 3.54 0.15 -1.26 -5.18 113.70 106.99 2cuh s SER 113 Ca 0.64 -0.42 -0.22 0.00 0.70 0.00 0.00 55.95 56.65 2cuh s SER 113 Cb -0.06 0.39 0.03 0.00 -1.71 0.00 0.00 66.02 64.67 2cuh s SER 113 CO 0.49 -0.74 0.71 -0.55 1.20 0.00 0.00 173.24 174.35 2cuh s SER 114 N -2.63 -0.31 0.00 5.45 0.15 -1.26 -5.37 113.70 109.73 2cuh s SER 114 Ca 0.02 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2cuh s SER 114 Cb 0.02 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 2cuh s SER 114 CO -0.09 -1.25 0.00 0.61 1.20 0.00 0.00 173.24 173.70