#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 6.29 -0.25 1.61 0.01 -1.26 -5.02 113.70 115.08 2cuh s SER 2 Ca 0.00 0.19 -0.30 0.00 1.31 0.00 0.00 55.95 57.15 2cuh s SER 2 Cb 0.00 -1.90 -0.07 0.00 0.21 0.00 0.00 66.02 64.26 2cuh s SER 2 CO 0.00 0.10 2.21 -1.20 0.41 0.00 0.00 173.24 174.77 2cuh n SER 3 N -0.16 2.98 -4.38 2.44 7.64 -1.26 -4.95 113.62 115.93 2cuh n SER 3 Ca -0.06 0.27 -0.28 0.00 1.01 0.00 0.00 58.87 59.80 2cuh n SER 3 Cb 0.53 -1.48 -0.13 0.00 -1.01 0.00 0.00 64.21 62.12 2cuh n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cuh s GLY 4 N 8.00 1.55 -0.52 0.23 0.00 -1.26 -4.74 107.32 110.58 2cuh s GLY 4 Ca 1.03 -1.46 -0.02 0.00 0.00 0.00 0.00 44.72 44.27 2cuh s GLY 4 CO 0.39 -1.45 0.44 -1.26 0.00 0.00 0.00 173.10 171.22 2cuh n SER 5 N 0.86 -3.05 -4.08 1.64 2.88 -1.26 -5.04 113.62 105.57 2cuh n SER 5 Ca -0.18 -0.23 -0.32 0.00 -1.33 0.00 0.00 58.87 56.82 2cuh n SER 5 Cb 0.53 -2.32 -0.16 0.00 -0.75 0.00 0.00 64.21 61.51 2cuh n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cuh s SER 6 N -3.29 3.16 -0.49 -3.46 1.04 -1.26 -5.07 113.70 104.32 2cuh s SER 6 Ca 0.14 -0.70 0.03 0.00 0.48 0.00 0.00 55.95 55.91 2cuh s SER 6 Cb -0.06 -1.39 0.15 0.00 0.10 0.00 0.00 66.02 64.82 2cuh s SER 6 CO 0.29 -0.04 0.33 -0.83 0.98 0.00 0.00 173.24 173.97 2cuh s GLY 7 N 1.33 1.80 0.00 7.32 0.00 -1.26 -5.10 107.32 111.42 2cuh s GLY 7 Ca 0.03 -2.82 0.00 0.00 0.00 0.00 0.00 44.72 41.93 2cuh s GLY 7 CO -0.11 1.63 0.00 -1.55 0.00 0.00 0.00 173.10 173.07 2cuh n PRO 8 N 2.97 -0.42 0.00 2.90 -0.04 -1.26 -4.88 135.00 134.27 2cuh n PRO 8 Ca 0.18 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.63 2cuh n PRO 8 Cb 0.39 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.74 2cuh n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2cuh n ASP 9 N -2.10 0.64 -4.75 3.54 -0.08 -1.26 -4.71 116.55 107.83 2cuh n ASP 9 Ca 0.00 0.28 -0.23 0.00 -1.51 0.00 0.00 54.79 53.33 2cuh n ASP 9 Cb 0.00 0.46 0.02 0.00 2.34 0.00 0.00 41.12 43.94 2cuh n ASP 9 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2cuh n GLY 10 N 1.45 2.53 3.74 0.27 0.00 -1.26 -4.71 105.19 107.21 2cuh n GLY 10 Ca -0.13 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.20 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 -4.27 4.40 0.38 1.61 0.04 -1.26 -4.68 135.00 131.23 2cuh s PRO 11 Ca 0.38 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.53 2cuh s PRO 11 Cb -0.03 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 2cuh s PRO 11 CO 0.24 -0.21 0.23 0.25 0.04 0.00 0.00 177.00 177.55 2cuh n THR 12 N 2.36 0.00 -4.11 1.26 -2.24 -1.26 -4.42 114.28 105.87 2cuh n THR 12 Ca 0.05 -2.50 -0.33 0.00 -2.27 0.00 0.00 64.05 59.00 2cuh n THR 12 Cb 0.43 1.09 -0.01 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.79 -3.78 -1.72 -0.78 6.02 -1.26 -3.03 117.38 112.03 2cuh n GLN 13 Ca 0.02 0.43 -0.43 0.00 -0.01 0.00 0.00 57.00 57.01 2cuh n GLN 13 Cb 0.63 -5.13 -0.03 0.00 1.02 0.00 0.00 30.24 26.74 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 -4.46 3.97 -4.54 1.08 7.94 -1.26 -4.67 117.00 115.06 2cuh n LEU 14 Ca 0.02 1.10 -0.26 0.00 -1.11 0.00 0.00 56.01 55.76 2cuh n LEU 14 Cb 0.53 -1.56 -0.11 0.00 0.53 0.00 0.00 43.42 42.81 2cuh n LEU 14 CO 0.82 0.07 -0.35 0.00 -1.11 0.00 0.00 177.39 176.83 2cuh s ARG 15 N 0.43 1.81 -0.26 1.96 1.70 -0.57 -5.00 118.95 119.02 2cuh s ARG 15 Ca 0.71 -1.96 0.00 0.00 -0.47 0.00 0.00 55.73 54.01 2cuh s ARG 15 Cb -0.53 -1.55 0.08 0.00 -0.57 0.00 0.00 34.95 32.37 2cuh s ARG 15 CO 0.40 0.05 0.01 0.00 -1.08 0.00 0.00 175.30 174.68 2cuh s ALA 16 N -2.74 1.82 0.78 7.88 0.00 -1.26 -3.35 121.76 124.89 2cuh s ALA 16 Ca 0.33 -1.48 -0.12 0.00 0.00 0.00 0.00 51.96 50.69 2cuh s ALA 16 Cb 0.05 -1.51 0.06 0.00 0.00 0.00 0.00 23.12 21.72 2cuh s ALA 16 CO 0.16 -1.37 1.11 -1.17 0.00 0.00 0.00 175.76 174.49 2cuh s LEU 17 N 1.46 2.64 -0.26 0.00 0.20 -1.26 -4.97 118.68 116.50 2cuh s LEU 17 Ca 0.01 1.19 -0.29 0.00 0.69 0.00 0.00 54.13 55.73 2cuh s LEU 17 Cb -0.18 -3.83 -0.02 0.00 -0.43 0.00 0.00 46.19 41.73 2cuh s LEU 17 CO -0.11 -1.81 1.56 0.20 -0.29 0.00 0.00 176.35 175.89 2cuh s ASN 18 N -4.10 6.39 0.20 3.68 -0.87 -1.26 -4.94 114.94 114.04 2cuh s ASN 18 Ca 0.60 1.45 -0.30 0.00 -1.57 0.00 0.00 52.86 53.05 2cuh s ASN 18 Cb -0.13 -2.53 -0.08 0.00 -0.02 0.00 0.00 41.25 38.48 2cuh s ASN 18 CO 0.53 -1.28 1.16 -0.76 -2.57 0.00 0.00 177.10 174.18 2cuh s LEU 19 N 5.20 4.47 -0.01 0.60 2.01 -1.26 -5.04 118.68 124.65 2cuh s LEU 19 Ca 0.68 2.21 0.03 0.00 0.01 0.00 0.00 54.13 57.06 2cuh s LEU 19 Cb -0.22 -3.61 -0.00 0.00 0.01 0.00 0.00 46.19 42.36 2cuh s LEU 19 CO 0.29 -0.30 -0.10 0.28 1.01 0.00 0.00 176.35 177.52 2cuh s THR 20 N -0.28 0.85 -1.07 5.49 -1.32 -1.26 -4.76 115.64 113.28 2cuh s THR 20 Ca 0.51 -0.44 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 2cuh s THR 20 Cb -0.32 -0.73 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 2cuh s THR 20 CO 0.37 0.25 0.00 1.21 -2.21 0.00 0.00 174.62 174.24 2cuh n GLU 21 N 2.98 -0.97 -3.11 7.08 2.13 -1.26 -3.31 120.64 124.18 2cuh n GLU 21 Ca -0.15 0.63 -0.14 0.00 0.66 0.00 0.00 57.16 58.16 2cuh n GLU 21 Cb 0.56 -4.80 0.07 0.00 0.27 0.00 0.00 31.44 27.54 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 -1.05 -0.47 2.71 8.31 0.00 -1.26 -5.02 105.19 108.40 2cuh n GLY 22 Ca -0.14 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.31 1.02 -0.22 1.61 5.36 -1.21 -4.97 117.98 116.26 2cuh s PHE 23 Ca 0.15 -0.95 -0.10 0.00 -0.96 0.00 0.00 56.93 55.08 2cuh s PHE 23 Cb -0.02 -1.09 -0.05 0.00 -0.34 0.00 0.00 43.02 41.52 2cuh s PHE 23 CO 0.62 -0.66 0.14 0.00 -1.46 0.00 0.00 175.22 173.86 2cuh s ALA 24 N 1.86 3.65 0.09 11.12 0.00 -1.24 -4.02 121.76 133.21 2cuh s ALA 24 Ca 0.01 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.22 2cuh s ALA 24 Cb -0.17 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 2cuh s ALA 24 CO -0.12 0.00 -0.08 0.14 0.00 0.00 0.00 175.76 175.70 2cuh s VAL 25 N 0.67 0.80 -0.05 0.00 -7.23 -1.26 0.70 120.40 114.03 2cuh s VAL 25 Ca 0.08 -1.70 -0.01 0.00 -1.81 0.00 0.00 61.98 58.53 2cuh s VAL 25 Cb -0.12 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.37 2cuh s VAL 25 CO 0.01 -0.67 0.04 -0.76 -0.31 0.00 0.00 175.10 173.41 2cuh s LEU 26 N -2.60 3.75 -0.16 1.32 1.43 -1.19 -4.64 118.68 116.59 2cuh s LEU 26 Ca 0.06 0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 2cuh s LEU 26 Cb -0.00 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.22 2cuh s LEU 26 CO -0.02 0.33 -0.15 -1.00 0.23 0.00 0.00 176.35 175.75 2cuh s HIS 27 N -1.03 2.28 0.12 0.29 3.76 -1.21 -3.48 115.29 116.01 2cuh s HIS 27 Ca 0.17 -1.31 0.06 0.00 -0.15 0.00 0.00 55.06 53.84 2cuh s HIS 27 Cb -0.12 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 31.89 2cuh s HIS 27 CO 0.07 -0.70 -0.14 1.67 -0.85 0.00 0.00 174.74 174.79 2cuh s TRP 28 N 1.45 1.41 -0.25 1.40 -2.14 -1.26 -1.51 118.94 118.04 2cuh s TRP 28 Ca 0.05 -0.54 -0.19 0.00 2.66 0.00 0.00 56.10 58.08 2cuh s TRP 28 Cb -0.13 -0.74 -0.02 0.00 -3.10 0.00 0.00 33.47 29.47 2cuh s TRP 28 CO -0.11 0.14 0.56 0.21 -2.66 0.00 0.00 176.95 175.09 2cuh s LYS 29 N -2.54 4.10 -0.09 3.25 2.20 -1.17 -4.91 119.74 120.58 2cuh s LYS 29 Ca 0.08 0.42 -0.29 0.00 -0.36 0.00 0.00 55.97 55.82 2cuh s LYS 29 Cb -0.06 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 2cuh s LYS 29 CO 0.03 -0.35 1.52 -1.25 -0.36 0.00 0.00 175.35 174.94 2cuh s PRO 30 N 2.30 4.19 0.66 4.03 0.04 -1.26 -4.01 135.00 140.95 2cuh s PRO 30 Ca 0.23 2.00 -0.15 0.00 0.04 0.00 0.00 61.00 63.12 2cuh s PRO 30 Cb -0.16 -3.91 -0.00 0.00 0.04 0.00 0.00 34.50 30.47 2cuh s PRO 30 CO 0.09 -0.81 1.11 -1.25 0.04 0.00 0.00 177.00 176.19 2cuh s PRO 31 N 3.86 2.81 0.27 0.56 0.04 -1.26 -4.87 135.00 136.41 2cuh s PRO 31 Ca 0.67 1.40 0.14 0.00 0.04 0.00 0.00 61.00 63.25 2cuh s PRO 31 Cb -0.29 -1.95 0.95 0.00 0.04 0.00 0.00 34.50 33.25 2cuh s PRO 31 CO 0.24 -1.24 1.19 0.94 0.04 0.00 0.00 177.00 178.17 2cuh n GLN 32 N -2.39 -0.05 -3.59 4.56 7.27 -1.26 -3.13 117.38 118.79 2cuh n GLN 32 Ca 0.10 1.05 -0.40 0.00 0.07 0.00 0.00 57.00 57.82 2cuh n GLN 32 Cb 0.52 -1.85 -0.10 0.00 2.41 0.00 0.00 30.24 31.22 2cuh n GLN 32 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2cuh s ASN 33 N -4.69 5.65 -0.07 1.69 4.22 -1.26 -5.06 114.94 115.42 2cuh s ASN 33 Ca -0.07 -1.60 -0.30 0.00 -2.14 0.00 0.00 52.86 48.75 2cuh s ASN 33 Cb 0.25 -1.99 -0.05 0.00 1.28 0.00 0.00 41.25 40.74 2cuh s ASN 33 CO 0.59 -0.57 1.50 -2.16 -2.04 0.00 0.00 177.10 174.42 2cuh s PRO 34 N 1.41 4.21 0.79 3.55 0.04 -1.18 -4.94 135.00 138.88 2cuh s PRO 34 Ca 0.04 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.96 2cuh s PRO 34 Cb -0.24 -3.83 0.20 0.00 0.04 0.00 0.00 34.50 30.67 2cuh s PRO 34 CO 0.01 -0.75 0.49 1.33 0.04 0.00 0.00 177.00 178.12 2cuh n VAL 35 N 5.27 0.00 -0.12 -0.36 0.24 -1.26 -5.00 118.33 117.10 2cuh n VAL 35 Ca 0.16 -0.04 -0.25 0.00 -2.04 0.00 0.00 64.34 62.16 2cuh n VAL 35 Cb 0.43 -0.62 -0.11 0.00 -1.47 0.00 0.00 33.84 32.07 2cuh n VAL 35 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2cuh n ASP 36 N -4.48 1.94 -3.83 -1.34 8.00 -1.18 -4.11 116.55 111.55 2cuh n ASP 36 Ca 0.08 0.30 -0.13 0.00 0.71 0.00 0.00 54.79 55.75 2cuh n ASP 36 Cb 0.33 -0.82 -0.14 0.00 -0.02 0.00 0.00 41.12 40.46 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 -0.02 -0.21 -3.53 -4.23 -1.24 0.08 115.64 104.02 2cuh s THR 37 Ca -0.34 0.07 -0.13 0.00 -1.18 0.00 0.00 61.69 60.11 2cuh s THR 37 Cb 0.11 -0.09 -0.05 0.00 1.34 0.00 0.00 72.50 73.81 2cuh s THR 37 CO 0.56 0.03 0.25 -0.31 -0.54 0.00 0.00 174.62 174.60 2cuh s TYR 38 N 0.38 3.37 -0.47 3.99 2.02 0.66 -0.02 117.35 127.29 2cuh s TYR 38 Ca -0.03 0.42 -0.16 0.00 -0.37 0.00 0.00 57.07 56.93 2cuh s TYR 38 Cb -0.04 -2.34 0.06 0.00 -0.40 0.00 0.00 41.96 39.24 2cuh s TYR 38 CO -0.01 0.11 0.44 0.34 -1.57 0.00 0.00 175.55 174.86 2cuh s ASP 39 N 0.83 6.17 -0.09 2.29 2.15 -0.06 -2.84 116.67 125.11 2cuh s ASP 39 Ca 0.13 -1.13 -0.02 0.00 0.43 0.00 0.00 52.55 51.96 2cuh s ASP 39 Cb -0.13 -2.21 -0.03 0.00 -0.30 0.00 0.00 42.92 40.24 2cuh s ASP 39 CO 0.04 -0.68 0.01 -0.63 -0.17 0.00 0.00 175.17 173.74 2cuh s ILE 40 N 1.92 4.36 -0.10 4.11 1.09 -1.18 0.78 121.20 132.18 2cuh s ILE 40 Ca 0.07 -0.22 -0.01 0.00 -1.10 0.00 0.00 60.65 59.39 2cuh s ILE 40 Cb -0.22 -2.84 0.03 0.00 -1.06 0.00 0.00 42.46 38.36 2cuh s ILE 40 CO 0.09 0.60 -0.06 -1.58 -0.10 0.00 0.00 174.94 173.89 2cuh s GLN 41 N -0.81 1.29 -0.13 2.79 0.74 0.90 -2.98 119.66 121.46 2cuh s GLN 41 Ca 0.12 -0.17 -0.03 0.00 0.05 0.00 0.00 55.36 55.34 2cuh s GLN 41 Cb -0.11 -1.41 -0.03 0.00 1.10 0.00 0.00 33.01 32.55 2cuh s GLN 41 CO 0.02 -0.26 -0.03 0.08 -0.55 0.00 0.00 175.29 174.55 2cuh s VAL 42 N 1.73 3.95 0.18 1.34 1.01 -0.86 0.13 120.40 127.86 2cuh s VAL 42 Ca 0.04 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 2cuh s VAL 42 Cb -0.13 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 2cuh s VAL 42 CO -0.07 0.53 0.23 0.42 0.00 0.00 0.00 175.10 176.21 2cuh s THR 43 N -0.04 0.05 0.17 3.92 -4.23 0.17 -1.51 115.64 114.17 2cuh s THR 43 Ca 0.01 -1.62 -0.23 0.00 -1.18 0.00 0.00 61.69 58.67 2cuh s THR 43 Cb -0.13 -2.07 0.06 0.00 1.34 0.00 0.00 72.50 71.70 2cuh s THR 43 CO 0.03 -0.23 0.67 0.00 -0.54 0.00 0.00 174.62 174.55 2cuh s ALA 44 N -4.03 -1.54 -1.00 3.99 0.00 -1.26 -0.89 121.76 117.03 2cuh s ALA 44 Ca 0.24 0.35 -0.24 0.00 0.00 0.00 0.00 51.96 52.31 2cuh s ALA 44 Cb 0.04 0.82 -0.06 0.00 0.00 0.00 0.00 23.12 23.92 2cuh s ALA 44 CO 0.04 -0.83 1.94 -1.25 0.00 0.00 0.00 175.76 175.66 2cuh s PRO 45 N -3.71 2.54 0.00 0.00 0.04 -1.26 -3.03 135.00 129.58 2cuh s PRO 45 Ca 0.04 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.49 2cuh s PRO 45 Cb -0.02 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.39 2cuh s PRO 45 CO -0.07 -3.58 0.00 0.41 0.04 0.00 0.00 177.00 173.79 2cuh n GLY 46 N 6.49 1.97 3.78 0.56 0.00 -1.26 -5.08 105.19 111.65 2cuh n GLY 46 Ca 0.42 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.22 2.67 0.55 4.61 0.00 -1.17 -5.01 121.76 122.19 2cuh s ALA 47 Ca 0.00 0.62 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 2cuh s ALA 47 Cb 0.00 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 2cuh s ALA 47 CO 0.00 -0.83 1.13 -1.25 0.00 0.00 0.00 175.76 174.80 2cuh s PRO 48 N -3.67 3.34 0.45 0.00 0.04 -1.26 -4.31 135.00 129.60 2cuh s PRO 48 Ca 0.68 1.60 -0.23 0.00 0.04 0.00 0.00 61.00 63.09 2cuh s PRO 48 Cb -0.20 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 2cuh s PRO 48 CO 0.32 -0.86 1.17 -1.25 0.04 0.00 0.00 177.00 176.42 2cuh s PRO 49 N -3.31 3.81 -0.05 0.56 0.04 -1.26 -4.74 135.00 130.04 2cuh s PRO 49 Ca 0.73 1.79 0.03 0.00 0.04 0.00 0.00 61.00 63.58 2cuh s PRO 49 Cb -0.24 -2.45 0.01 0.00 0.04 0.00 0.00 34.50 31.86 2cuh s PRO 49 CO 0.27 -0.52 -0.13 -1.17 0.04 0.00 0.00 177.00 175.50 2cuh s LEU 50 N -2.94 1.73 -0.13 -3.56 2.96 -0.57 -5.03 118.68 111.14 2cuh s LEU 50 Ca 0.62 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 2cuh s LEU 50 Cb -0.29 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.60 2cuh s LEU 50 CO 0.35 0.07 -0.16 -1.58 -1.32 0.00 0.00 176.35 173.71 2cuh s GLN 51 N 0.45 2.43 0.23 1.98 0.74 -1.26 -2.03 119.66 122.19 2cuh s GLN 51 Ca -0.10 -0.63 0.01 0.00 0.05 0.00 0.00 55.36 54.69 2cuh s GLN 51 Cb -0.14 -2.09 -0.05 0.00 1.10 0.00 0.00 33.01 31.83 2cuh s GLN 51 CO 0.03 -0.12 0.09 0.00 -0.55 0.00 0.00 175.29 174.74 2cuh s ALA 52 N 1.13 1.51 0.03 1.58 0.00 -1.16 -5.08 121.76 119.76 2cuh s ALA 52 Ca -0.02 -1.77 -0.14 0.00 0.00 0.00 0.00 51.96 50.02 2cuh s ALA 52 Cb -0.14 1.03 0.02 0.00 0.00 0.00 0.00 23.12 24.03 2cuh s ALA 52 CO -0.05 -0.46 0.31 -2.00 0.00 0.00 0.00 175.76 173.56 2cuh s GLU 53 N -4.04 0.77 -0.06 0.00 -6.30 -1.26 -3.10 118.70 104.71 2cuh s GLU 53 Ca 0.35 -0.40 -0.15 0.00 -2.50 0.00 0.00 54.97 52.27 2cuh s GLU 53 Cb 0.07 0.34 0.03 0.00 0.00 0.00 0.00 34.13 34.57 2cuh s GLU 53 CO 0.11 -0.24 0.35 -0.08 0.02 0.00 0.00 175.26 175.42 2cuh s THR 54 N -2.17 0.03 0.49 -1.70 -1.32 -1.13 -4.98 115.64 104.86 2cuh s THR 54 Ca -0.08 -0.27 -0.22 0.00 -1.21 0.00 0.00 61.69 59.92 2cuh s THR 54 Cb -0.02 -0.60 -0.07 0.00 -1.51 0.00 0.00 72.50 70.30 2cuh s THR 54 CO -0.01 -0.15 1.15 -2.16 -2.21 0.00 0.00 174.62 171.24 2cuh s PRO 55 N -0.75 3.61 0.39 7.08 0.04 -1.26 -0.24 135.00 143.87 2cuh s PRO 55 Ca -0.08 1.71 0.17 0.00 0.04 0.00 0.00 61.00 62.83 2cuh s PRO 55 Cb -0.04 -2.25 0.90 0.00 0.04 0.00 0.00 34.50 33.15 2cuh s PRO 55 CO 0.03 -0.66 1.43 0.78 0.04 0.00 0.00 177.00 178.62 2cuh h GLY 56 N 1.73 0.00 0.91 0.56 0.00 -0.51 0.23 103.07 105.99 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 0.59 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.99 2cuh n SER 57 N -2.23 0.00 -4.49 0.19 3.41 -1.26 -4.70 113.62 104.54 2cuh n SER 57 Ca -0.01 -0.70 -0.31 0.00 -0.26 0.00 0.00 58.87 57.60 2cuh n SER 57 Cb 0.33 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.00 2.68 -0.12 7.33 0.00 0.82 -5.02 121.76 125.44 2cuh s ALA 58 Ca 0.28 -1.20 0.17 0.00 0.00 0.00 0.00 51.96 51.21 2cuh s ALA 58 Cb 0.13 -0.78 0.27 0.00 0.00 0.00 0.00 23.12 22.74 2cuh s ALA 58 CO 0.22 0.59 1.14 1.33 0.00 0.00 0.00 175.76 179.03 2cuh n VAL 59 N 1.37 1.72 -3.63 0.00 0.24 -1.26 -4.95 118.33 111.83 2cuh n VAL 59 Ca -0.16 -2.08 -0.08 0.00 -2.04 0.00 0.00 64.34 59.98 2cuh n VAL 59 Cb 0.52 -0.17 -0.07 0.00 -1.47 0.00 0.00 33.84 32.66 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 -2.72 -0.36 -0.31 -1.34 -4.77 -1.26 -4.06 116.67 101.85 2cuh s ASP 60 Ca 0.29 0.64 -0.01 0.00 -3.30 0.00 0.00 52.55 50.17 2cuh s ASP 60 Cb 0.26 0.63 0.10 0.00 -1.09 0.00 0.00 42.92 42.82 2cuh s ASP 60 CO 0.03 -0.16 0.11 -0.47 0.70 0.00 0.00 175.17 175.38 2cuh s TYR 61 N -0.08 1.43 -0.40 2.11 5.04 -1.23 -4.98 117.35 119.25 2cuh s TYR 61 Ca 0.03 -1.59 -0.28 0.00 -2.44 0.00 0.00 57.07 52.79 2cuh s TYR 61 Cb -0.04 -1.55 -0.01 0.00 0.35 0.00 0.00 41.96 40.71 2cuh s TYR 61 CO -0.06 -0.87 1.73 -1.25 -1.34 0.00 0.00 175.55 173.76 2cuh s PRO 62 N 1.66 3.24 0.02 4.97 0.04 -1.26 -3.17 135.00 140.50 2cuh s PRO 62 Ca 0.10 1.17 -0.28 0.00 0.04 0.00 0.00 61.00 62.03 2cuh s PRO 62 Cb -0.17 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.13 2cuh s PRO 62 CO -0.26 -1.97 0.90 -0.51 0.04 0.00 0.00 177.00 175.20 2cuh s LEU 63 N 7.03 4.40 0.42 -3.56 1.43 0.22 -4.93 118.68 123.68 2cuh s LEU 63 Ca 0.74 1.58 0.07 0.00 -1.03 0.00 0.00 54.13 55.49 2cuh s LEU 63 Cb -0.19 -3.45 -0.06 0.00 0.03 0.00 0.00 46.19 42.52 2cuh s LEU 63 CO 0.31 -0.17 0.12 -1.00 0.23 0.00 0.00 176.35 175.84 2cuh s HIS 64 N 0.65 2.51 -0.69 0.29 3.76 -1.26 -3.64 115.29 116.92 2cuh s HIS 64 Ca 0.47 -0.64 -0.01 0.00 -0.15 0.00 0.00 55.06 54.73 2cuh s HIS 64 Cb -0.21 -1.88 -0.01 0.00 1.11 0.00 0.00 32.58 31.59 2cuh s HIS 64 CO 0.26 0.26 0.58 -3.47 -0.85 0.00 0.00 174.74 171.53 2cuh n ASP 65 N -1.16 -2.80 -4.29 1.40 2.03 -1.26 -5.04 116.55 105.44 2cuh n ASP 65 Ca -0.03 -0.39 -0.33 0.00 0.52 0.00 0.00 54.79 54.56 2cuh n ASP 65 Cb 0.66 -3.28 -0.15 0.00 -0.72 0.00 0.00 41.12 37.62 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 -4.55 2.45 0.17 -2.67 1.43 -1.26 -5.09 118.68 109.15 2cuh s LEU 66 Ca 0.08 -0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 52.42 2cuh s LEU 66 Cb -0.01 -1.54 -0.10 0.00 0.03 0.00 0.00 46.19 44.58 2cuh s LEU 66 CO 0.44 0.14 1.51 -0.69 0.23 0.00 0.00 176.35 177.98 2cuh s VAL 67 N 0.51 2.76 1.11 -1.59 1.01 -1.26 -4.87 120.40 118.06 2cuh s VAL 67 Ca -0.11 0.56 -0.16 0.00 0.00 0.00 0.00 61.98 62.26 2cuh s VAL 67 Cb -0.16 -3.36 0.24 0.00 0.00 0.00 0.00 36.38 33.10 2cuh s VAL 67 CO 0.05 0.05 1.12 -0.76 0.00 0.00 0.00 175.10 175.55 2cuh s LEU 68 N 0.91 1.16 -0.81 3.92 2.01 -1.26 -3.65 118.68 120.96 2cuh s LEU 68 Ca 0.67 0.81 -0.06 0.00 0.01 0.00 0.00 54.13 55.56 2cuh s LEU 68 Cb -0.42 -2.74 0.05 0.00 0.01 0.00 0.00 46.19 43.10 2cuh s LEU 68 CO 0.33 -3.65 0.21 1.41 1.01 0.00 0.00 176.35 175.67 2cuh n HIS 69 N -4.47 -1.71 -3.82 0.29 8.25 -1.25 -4.89 115.22 107.63 2cuh n HIS 69 Ca 0.10 0.22 -0.12 0.00 -0.26 0.00 0.00 57.72 57.66 2cuh n HIS 69 Cb 0.59 -1.94 -0.11 0.00 1.12 0.00 0.00 29.99 29.64 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 -2.54 0.02 -0.11 1.59 2.01 -1.24 -5.05 115.64 110.33 2cuh s THR 70 Ca 0.23 -0.19 -0.24 0.00 0.31 0.00 0.00 61.69 61.80 2cuh s THR 70 Cb -0.13 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.03 2cuh s THR 70 CO 0.28 -0.10 0.76 0.54 -0.69 0.00 0.00 174.62 175.41 2cuh s ASN 71 N -0.32 6.99 -0.16 3.53 4.22 -1.26 -3.46 114.94 124.48 2cuh s ASN 71 Ca -0.04 1.20 -0.01 0.00 -2.14 0.00 0.00 52.86 51.87 2cuh s ASN 71 Cb -0.03 -2.44 -0.01 0.00 1.28 0.00 0.00 41.25 40.06 2cuh s ASN 71 CO 0.01 -0.24 -0.12 -0.31 -2.04 0.00 0.00 177.10 174.40 2cuh s TYR 72 N 1.36 2.84 -0.21 1.54 2.02 -1.14 -4.56 117.35 119.20 2cuh s TYR 72 Ca 0.38 -0.89 -0.14 0.00 -0.37 0.00 0.00 57.07 56.06 2cuh s TYR 72 Cb -0.17 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.42 2cuh s TYR 72 CO 0.16 -0.40 0.29 0.99 -1.57 0.00 0.00 175.55 175.03 2cuh s THR 73 N 0.80 5.28 0.05 -0.71 2.01 -0.06 -3.87 115.64 119.14 2cuh s THR 73 Ca -0.04 0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.52 2cuh s THR 73 Cb -0.15 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2cuh s THR 73 CO 0.01 0.32 -0.17 0.00 -0.69 0.00 0.00 174.62 174.09 2cuh s ALA 74 N 1.02 2.66 -0.24 7.40 0.00 -1.23 -0.66 121.76 130.72 2cuh s ALA 74 Ca 0.14 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.88 2cuh s ALA 74 Cb -0.14 -0.77 0.08 0.00 0.00 0.00 0.00 23.12 22.29 2cuh s ALA 74 CO 0.06 0.58 0.06 0.99 0.00 0.00 0.00 175.76 177.45 2cuh s THR 75 N -0.98 0.64 0.09 0.00 2.01 0.12 -2.81 115.64 114.71 2cuh s THR 75 Ca 0.16 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 61.17 2cuh s THR 75 Cb -0.11 -1.27 -0.06 0.00 0.01 0.00 0.00 72.50 71.07 2cuh s THR 75 CO 0.07 -0.40 0.43 -0.69 -0.69 0.00 0.00 174.62 173.34 2cuh s VAL 76 N 1.78 5.04 0.24 3.82 1.01 0.78 -0.07 120.40 132.99 2cuh s VAL 76 Ca 0.03 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.58 2cuh s VAL 76 Cb -0.17 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2cuh s VAL 76 CO -0.16 0.29 0.18 -0.13 0.00 0.00 0.00 175.10 175.28 2cuh s ARG 77 N -1.87 1.36 -0.08 2.72 0.52 0.23 -0.23 118.95 121.60 2cuh s ARG 77 Ca 0.34 -1.73 0.03 0.00 -0.52 0.00 0.00 55.73 53.85 2cuh s ARG 77 Cb -0.14 0.29 0.01 0.00 0.52 0.00 0.00 34.95 35.62 2cuh s ARG 77 CO 0.18 -0.47 -0.17 0.20 0.02 0.00 0.00 175.30 175.07 2cuh s GLY 78 N -3.21 1.01 -0.53 -3.53 0.00 -1.26 -0.89 107.32 98.90 2cuh s GLY 78 Ca 0.39 -0.64 -0.17 0.00 0.00 0.00 0.00 44.72 44.30 2cuh s GLY 78 CO 0.16 -0.05 0.54 1.08 0.00 0.00 0.00 173.10 174.84 2cuh s LEU 79 N 0.56 5.74 -0.42 0.66 2.01 0.97 -1.69 118.68 126.50 2cuh s LEU 79 Ca -0.16 -1.51 0.04 0.00 0.01 0.00 0.00 54.13 52.51 2cuh s LEU 79 Cb -0.17 -2.25 0.12 0.00 0.01 0.00 0.00 46.19 43.90 2cuh s LEU 79 CO 0.06 -0.88 0.15 -0.13 1.01 0.00 0.00 176.35 176.56 2cuh s ARG 80 N 1.99 1.63 3.62 1.70 0.52 -1.12 -3.12 118.95 124.16 2cuh s ARG 80 Ca 0.07 -2.15 0.00 0.00 -0.52 0.00 0.00 55.73 53.12 2cuh s ARG 80 Cb -0.26 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.09 2cuh s ARG 80 CO 0.06 -1.03 0.00 0.41 0.02 0.00 0.00 175.30 174.76 2cuh n GLY 81 N 3.76 0.74 0.00 -3.53 0.00 -1.26 -2.52 105.19 102.37 2cuh n GLY 81 Ca 0.04 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.66 1.61 -0.04 -1.26 -4.73 135.00 126.41 2cuh n PRO 82 Ca 0.00 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.17 2cuh n PRO 82 Cb 0.00 -1.33 -0.09 0.00 -0.04 0.00 0.00 33.50 32.04 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 3.80 0.20 3.54 0.01 -1.05 -5.17 114.94 114.44 2cuh s ASN 83 Ca 0.15 -1.51 0.06 0.00 -0.71 0.00 0.00 52.86 50.86 2cuh s ASN 83 Cb 0.07 0.06 -0.05 0.00 0.41 0.00 0.00 41.25 41.74 2cuh s ASN 83 CO 0.12 -0.66 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.19 2cuh s LEU 84 N -3.75 2.48 0.57 0.60 1.43 -1.26 -2.80 118.68 115.94 2cuh s LEU 84 Ca 0.22 -1.07 0.09 0.00 -1.03 0.00 0.00 54.13 52.34 2cuh s LEU 84 Cb 0.06 -0.51 0.08 0.00 0.03 0.00 0.00 46.19 45.85 2cuh s LEU 84 CO 0.11 -0.29 0.78 0.42 0.23 0.00 0.00 176.35 177.60 2cuh s THR 85 N -3.15 2.21 0.10 5.49 -4.23 -0.68 -4.93 115.64 110.45 2cuh s THR 85 Ca 0.23 -0.98 -0.31 0.00 -1.18 0.00 0.00 61.69 59.45 2cuh s THR 85 Cb 0.02 -2.23 -0.07 0.00 1.34 0.00 0.00 72.50 71.55 2cuh s THR 85 CO 0.06 0.00 1.35 -0.44 -0.54 0.00 0.00 174.62 175.05 2cuh s SER 86 N -4.64 6.87 0.76 3.99 0.01 -1.26 -4.53 113.70 114.90 2cuh s SER 86 Ca 0.62 2.26 -0.11 0.00 1.31 0.00 0.00 55.95 60.03 2cuh s SER 86 Cb -0.06 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.64 2cuh s SER 86 CO 0.39 -0.62 1.09 -2.16 0.41 0.00 0.00 173.24 172.35 2cuh s PRO 87 N 1.14 2.30 -0.17 12.44 0.04 -1.26 -4.16 135.00 145.33 2cuh s PRO 87 Ca 0.63 1.19 -0.04 0.00 0.04 0.00 0.00 61.00 62.82 2cuh s PRO 87 Cb -0.35 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.37 2cuh s PRO 87 CO 0.30 -1.62 0.27 0.00 0.04 0.00 0.00 177.00 175.99 2cuh s ALA 88 N -2.86 -0.56 0.33 8.56 0.00 0.68 -4.96 121.76 122.96 2cuh s ALA 88 Ca 0.62 0.73 0.08 0.00 0.00 0.00 0.00 51.96 53.39 2cuh s ALA 88 Cb -0.17 -1.22 -0.07 0.00 0.00 0.00 0.00 23.12 21.66 2cuh s ALA 88 CO 0.55 -0.91 -0.05 0.45 0.00 0.00 0.00 175.76 175.79 2cuh s SER 89 N 2.41 3.34 0.15 0.00 0.15 -1.26 -0.16 113.70 118.34 2cuh s SER 89 Ca 0.05 -1.24 -0.21 0.00 0.70 0.00 0.00 55.95 55.24 2cuh s SER 89 Cb -0.14 -0.28 0.06 0.00 -1.71 0.00 0.00 66.02 63.96 2cuh s SER 89 CO -0.11 -0.32 0.55 -0.51 1.20 0.00 0.00 173.24 174.05 2cuh s ILE 90 N -2.81 0.02 -0.22 6.45 2.07 -1.13 -4.92 121.20 120.66 2cuh s ILE 90 Ca 0.32 -0.15 -0.06 0.00 -1.41 0.00 0.00 60.65 59.35 2cuh s ILE 90 Cb 0.05 -1.04 -0.03 0.00 0.13 0.00 0.00 42.46 41.57 2cuh s ILE 90 CO 0.15 -0.08 0.04 -0.89 -1.91 0.00 0.00 174.94 172.25 2cuh s THR 91 N -3.74 4.19 0.01 4.00 2.01 -1.26 -3.53 115.64 117.33 2cuh s THR 91 Ca 0.01 -0.22 -0.04 0.00 0.31 0.00 0.00 61.69 61.75 2cuh s THR 91 Cb -0.00 -2.93 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 2cuh s THR 91 CO -0.13 0.39 0.07 0.72 -0.69 0.00 0.00 174.62 174.98 2cuh s PHE 92 N 1.21 0.12 0.05 4.92 -0.12 -1.25 -5.02 117.98 117.89 2cuh s PHE 92 Ca 0.04 -0.26 -0.04 0.00 -0.05 0.00 0.00 56.93 56.61 2cuh s PHE 92 Cb -0.14 -0.10 -0.05 0.00 -0.63 0.00 0.00 43.02 42.10 2cuh s PHE 92 CO 0.02 -0.23 0.27 0.99 -0.05 0.00 0.00 175.22 176.23 2cuh s THR 93 N -1.30 5.30 0.42 -4.49 2.01 -1.26 -2.91 115.64 113.42 2cuh s THR 93 Ca -0.14 -0.00 0.06 0.00 0.31 0.00 0.00 61.69 61.92 2cuh s THR 93 Cb -0.08 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.85 2cuh s THR 93 CO 0.00 0.24 0.58 0.42 -0.69 0.00 0.00 174.62 175.18 2cuh s THR 94 N -1.43 3.19 -1.83 -0.82 -4.23 -1.22 -4.48 115.64 104.82 2cuh s THR 94 Ca 0.32 -0.93 -0.20 0.00 -1.18 0.00 0.00 61.69 59.70 2cuh s THR 94 Cb -0.13 -3.09 0.20 0.00 1.34 0.00 0.00 72.50 70.82 2cuh s THR 94 CO 0.21 -0.04 0.50 0.61 -0.54 0.00 0.00 174.62 175.35 2cuh n GLY 95 N -1.89 -0.35 2.42 3.99 0.00 -1.26 -3.78 105.19 104.32 2cuh n GLY 95 Ca 0.06 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -4.14 8.01 -3.86 0.99 7.94 -1.26 -4.67 117.00 120.01 2cuh n LEU 96 Ca 0.05 -4.16 -0.15 0.00 -1.11 0.00 0.00 56.01 50.63 2cuh n LEU 96 Cb 0.49 -1.52 -0.15 0.00 0.53 0.00 0.00 43.42 42.77 2cuh n LEU 96 CO 0.95 1.73 -0.37 -0.70 -1.11 0.00 0.00 177.39 177.89 2cuh s GLU 97 N 2.51 0.21 -0.18 1.96 2.12 -1.26 -4.98 118.70 119.09 2cuh s GLU 97 Ca 0.63 0.01 -0.26 0.00 0.36 0.00 0.00 54.97 55.70 2cuh s GLU 97 Cb 0.17 -0.31 0.07 0.00 0.26 0.00 0.00 34.13 34.31 2cuh s GLU 97 CO -0.06 -0.04 0.68 0.00 -0.54 0.00 0.00 175.26 175.29 2cuh s ALA 98 N 0.48 -1.71 -1.23 6.30 0.00 -1.26 -5.02 121.76 119.32 2cuh s ALA 98 Ca -0.05 1.69 0.15 0.00 0.00 0.00 0.00 51.96 53.75 2cuh s ALA 98 Cb -0.07 -0.71 0.69 0.00 0.00 0.00 0.00 23.12 23.02 2cuh s ALA 98 CO -0.01 -0.34 1.43 -0.35 0.00 0.00 0.00 175.76 176.49 2cuh n PRO 99 N 2.05 0.11 -4.69 0.00 -0.04 -1.26 -4.68 135.00 126.50 2cuh n PRO 99 Ca -0.16 0.19 -0.25 0.00 -0.04 0.00 0.00 63.50 63.24 2cuh n PRO 99 Cb 0.56 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.38 2cuh n PRO 99 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2cuh s ARG 100 N -2.77 1.41 -0.68 0.54 0.52 -1.26 -5.05 118.95 111.66 2cuh s ARG 100 Ca 0.11 -0.89 -0.39 0.00 -0.52 0.00 0.00 55.73 54.04 2cuh s ARG 100 Cb 0.10 -1.49 -0.20 0.00 0.52 0.00 0.00 34.95 33.88 2cuh s ARG 100 CO 0.24 0.38 2.35 -0.25 0.02 0.00 0.00 175.30 178.05 2cuh n ASP 101 N 1.99 0.62 -0.34 0.23 9.92 -1.26 -4.74 116.55 122.97 2cuh n ASP 101 Ca -0.17 0.48 0.22 0.00 -0.53 0.00 0.00 54.79 54.80 2cuh n ASP 101 Cb 0.53 -0.92 0.46 0.00 -0.64 0.00 0.00 41.12 40.55 2cuh n ASP 101 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2cuh h LEU 102 N 10.26 0.55-10.71 0.64 3.38 -1.97 -3.40 115.31 114.06 2cuh h LEU 102 Ca -0.09 0.16 -0.46 0.00 0.09 0.00 0.00 57.88 57.59 2cuh h LEU 102 Cb 1.38 0.09 0.13 0.00 0.09 0.00 0.00 40.66 42.34 2cuh h LEU 102 CO 1.20 -0.04 0.39 -1.83 0.09 0.00 0.00 178.44 178.25 2cuh s GLU 103 N -5.66 1.39 -0.06 1.13 -1.05 -1.26 -5.08 118.70 108.10 2cuh s GLU 103 Ca -0.10 -0.20 0.04 0.00 -0.15 0.00 0.00 54.97 54.55 2cuh s GLU 103 Cb 0.29 -1.94 -0.02 0.00 -0.44 0.00 0.00 34.13 32.01 2cuh s GLU 103 CO 0.79 -1.92 -0.15 0.00 0.95 0.00 0.00 175.26 174.93 2cuh s ALA 104 N -3.67 2.60 -0.16 -0.84 0.00 -1.26 -5.10 121.76 113.33 2cuh s ALA 104 Ca 0.67 -0.98 -0.26 0.00 0.00 0.00 0.00 51.96 51.40 2cuh s ALA 104 Cb -0.08 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 2cuh s ALA 104 CO 0.50 0.51 0.84 0.21 0.00 0.00 0.00 175.76 177.82 2cuh s LYS 105 N -0.55 4.31 -0.20 0.00 2.20 -1.26 -4.98 119.74 119.26 2cuh s LYS 105 Ca 0.08 1.05 -0.28 0.00 -0.36 0.00 0.00 55.97 56.45 2cuh s LYS 105 Cb -0.11 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.58 2cuh s LYS 105 CO 0.01 -0.31 2.20 -1.91 -0.36 0.00 0.00 175.35 174.98 2cuh n GLU 106 N 5.16 2.02 -2.40 4.03 2.13 -1.26 -4.91 120.64 125.41 2cuh n GLU 106 Ca 0.05 0.57 -0.43 0.00 0.66 0.00 0.00 57.16 58.01 2cuh n GLU 106 Cb 0.49 -3.20 -0.02 0.00 0.27 0.00 0.00 31.44 28.98 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 7.97 4.20 0.00 6.31 -7.23 -1.26 -5.02 120.40 125.38 2cuh s VAL 107 Ca 1.00 1.42 -0.08 0.00 -1.81 0.00 0.00 61.98 62.51 2cuh s VAL 107 Cb -0.36 -4.01 -0.05 0.00 0.56 0.00 0.00 36.38 32.52 2cuh s VAL 107 CO 0.36 -0.23 0.29 0.42 -0.31 0.00 0.00 175.10 175.63 2cuh s THR 108 N 3.83 5.26 0.41 5.32 -4.23 -1.26 -5.08 115.64 119.89 2cuh s THR 108 Ca 0.56 0.31 -0.25 0.00 -1.18 0.00 0.00 61.69 61.13 2cuh s THR 108 Cb -0.21 -3.58 -0.08 0.00 1.34 0.00 0.00 72.50 69.97 2cuh s THR 108 CO 0.18 0.41 1.19 -2.16 -0.54 0.00 0.00 174.62 173.70 2cuh s PRO 109 N -1.60 3.99 -0.28 3.99 0.04 -1.26 -5.03 135.00 134.85 2cuh s PRO 109 Ca 0.26 1.87 0.01 0.00 0.04 0.00 0.00 61.00 63.19 2cuh s PRO 109 Cb -0.14 -2.64 0.08 0.00 0.04 0.00 0.00 34.50 31.84 2cuh s PRO 109 CO 0.14 -0.38 0.00 -1.12 0.04 0.00 0.00 177.00 175.68 2cuh s SER 110 N -1.12 4.15 0.45 6.66 0.01 -1.26 -5.11 113.70 117.48 2cuh s SER 110 Ca 0.58 -1.54 -0.24 0.00 1.31 0.00 0.00 55.95 56.07 2cuh s SER 110 Cb -0.31 -1.25 -0.09 0.00 0.21 0.00 0.00 66.02 64.58 2cuh s SER 110 CO 0.39 -0.31 1.10 0.61 0.41 0.00 0.00 173.24 175.44 2cuh n GLY 111 N 4.59 0.05 3.77 3.44 0.00 -1.26 -4.95 105.19 110.82 2cuh n GLY 111 Ca -0.06 0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.20 2.61 0.09 1.61 0.04 -1.26 -5.07 135.00 130.82 2cuh s PRO 112 Ca 0.64 1.31 0.05 0.00 0.04 0.00 0.00 61.00 63.05 2cuh s PRO 112 Cb -0.52 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 2cuh s PRO 112 CO 0.56 -1.39 -0.14 0.45 0.04 0.00 0.00 177.00 176.52 2cuh s SER 113 N -2.86 1.73 0.33 6.66 0.15 -1.26 -5.16 113.70 113.29 2cuh s SER 113 Ca 0.65 -0.69 -0.18 0.00 0.70 0.00 0.00 55.95 56.43 2cuh s SER 113 Cb -0.19 -0.05 0.04 0.00 -1.71 0.00 0.00 66.02 64.11 2cuh s SER 113 CO 0.47 -0.12 0.74 -0.55 1.20 0.00 0.00 173.24 174.98 2cuh s SER 114 N -2.01 -0.11 0.00 5.45 0.15 -1.26 -5.35 113.70 110.57 2cuh s SER 114 Ca 0.02 -0.88 0.00 0.00 0.70 0.00 0.00 55.95 55.78 2cuh s SER 114 Cb -0.08 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 2cuh s SER 114 CO 0.02 -1.51 0.00 0.61 1.20 0.00 0.00 173.24 173.57