#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 -3.46 -3.98 1.61 2.88 -1.26 -5.02 113.62 104.39 2cuh n SER 2 Ca 0.00 -0.61 -0.27 0.00 -1.33 0.00 0.00 58.87 56.67 2cuh n SER 2 Cb 0.00 -0.96 -0.17 0.00 -0.75 0.00 0.00 64.21 62.34 2cuh n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cuh s SER 3 N -2.59 2.16 0.00 -3.46 0.01 -1.26 -5.08 113.70 103.48 2cuh s SER 3 Ca 0.57 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2cuh s SER 3 Cb -0.12 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.19 2cuh s SER 3 CO 0.51 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.73 2cuh n GLY 4 N 4.45 3.49 4.46 3.44 0.00 -1.26 -4.95 105.19 114.81 2cuh n GLY 4 Ca -0.17 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 2cuh n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cuh n SER 5 N 0.00 -1.04 -3.99 1.61 2.88 -1.26 -4.90 113.62 106.93 2cuh n SER 5 Ca 0.00 -1.25 -0.31 0.00 -1.33 0.00 0.00 58.87 55.98 2cuh n SER 5 Cb 0.00 -1.66 -0.15 0.00 -0.75 0.00 0.00 64.21 61.64 2cuh n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2cuh s SER 6 N -3.61 4.17 -0.39 -3.46 0.15 -1.26 -5.05 113.70 104.26 2cuh s SER 6 Ca 0.58 -1.38 0.02 0.00 0.70 0.00 0.00 55.95 55.87 2cuh s SER 6 Cb -0.33 -1.35 0.16 0.00 -1.71 0.00 0.00 66.02 62.79 2cuh s SER 6 CO 1.02 -0.24 0.30 -0.83 1.20 0.00 0.00 173.24 174.68 2cuh s GLY 7 N 1.25 0.97 0.85 9.45 0.00 -1.26 -5.14 107.32 113.44 2cuh s GLY 7 Ca -0.05 -2.14 -0.11 0.00 0.00 0.00 0.00 44.72 42.43 2cuh s GLY 7 CO -0.07 2.17 1.09 2.56 0.00 0.00 0.00 173.10 178.85 2cuh s PRO 8 N 0.51 1.62 -0.30 2.90 0.04 -1.26 -4.96 135.00 133.55 2cuh s PRO 8 Ca 0.27 0.95 0.11 0.00 0.04 0.00 0.00 61.00 62.37 2cuh s PRO 8 Cb -0.07 -1.84 0.78 0.00 0.04 0.00 0.00 34.50 33.41 2cuh s PRO 8 CO -0.11 -2.03 1.80 -0.25 0.04 0.00 0.00 177.00 176.46 2cuh n ASP 9 N -3.75 5.20 -4.83 6.66 8.00 -1.26 -4.84 116.55 121.72 2cuh n ASP 9 Ca 0.08 -3.13 -0.31 0.00 0.71 0.00 0.00 54.79 52.13 2cuh n ASP 9 Cb 0.54 -0.73 -0.04 0.00 -0.02 0.00 0.00 41.12 40.87 2cuh n ASP 9 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2cuh s GLY 10 N -0.93 2.84 0.09 0.44 0.00 -1.26 -4.77 107.32 103.73 2cuh s GLY 10 Ca 0.55 -0.48 -0.31 0.00 0.00 0.00 0.00 44.72 44.49 2cuh s GLY 10 CO 0.15 -2.12 1.38 2.56 0.00 0.00 0.00 173.10 175.06 2cuh s PRO 11 N -4.06 4.32 0.25 2.90 0.04 -1.26 -4.45 135.00 132.74 2cuh s PRO 11 Ca 0.13 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.22 2cuh s PRO 11 Cb -0.01 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2cuh s PRO 11 CO 0.08 -0.44 0.08 0.95 0.04 0.00 0.00 177.00 177.71 2cuh s THR 12 N 1.30 0.61 -1.20 1.26 -4.23 -1.24 -4.48 115.64 107.67 2cuh s THR 12 Ca 0.64 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 2cuh s THR 12 Cb -0.35 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 70.93 2cuh s THR 12 CO 0.30 -0.09 0.00 0.00 -0.54 0.00 0.00 174.62 174.29 2cuh n GLN 13 N -0.44 -1.08 -1.76 3.99 1.13 -1.26 -2.50 117.38 115.47 2cuh n GLN 13 Ca -0.01 0.70 -0.41 0.00 -1.94 0.00 0.00 57.00 55.33 2cuh n GLN 13 Cb 0.66 -4.94 -0.01 0.00 0.11 0.00 0.00 30.24 26.06 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 -1.92 4.51 -3.78 1.08 7.94 -1.26 -4.74 117.00 118.83 2cuh n LEU 14 Ca -0.16 1.18 -0.10 0.00 -1.11 0.00 0.00 56.01 55.83 2cuh n LEU 14 Cb 0.60 -1.60 -0.05 0.00 0.53 0.00 0.00 43.42 42.91 2cuh n LEU 14 CO 0.19 0.13 0.19 -0.13 -1.11 0.00 0.00 177.39 176.66 2cuh s ARG 15 N -1.23 1.29 -0.34 1.96 0.52 -1.16 -5.02 118.95 114.96 2cuh s ARG 15 Ca 0.59 -0.92 -0.03 0.00 -0.52 0.00 0.00 55.73 54.85 2cuh s ARG 15 Cb -0.49 0.48 0.07 0.00 0.52 0.00 0.00 34.95 35.53 2cuh s ARG 15 CO 0.56 -0.53 0.08 0.00 0.02 0.00 0.00 175.30 175.43 2cuh s ALA 16 N -3.89 2.96 0.80 2.13 0.00 -1.26 -3.82 121.76 118.67 2cuh s ALA 16 Ca 0.10 -2.04 -0.11 0.00 0.00 0.00 0.00 51.96 49.91 2cuh s ALA 16 Cb 0.00 -2.14 0.08 0.00 0.00 0.00 0.00 23.12 21.06 2cuh s ALA 16 CO -0.03 -1.47 1.16 -1.17 0.00 0.00 0.00 175.76 174.25 2cuh s LEU 17 N 1.22 2.54 -0.50 0.00 2.96 -1.26 -4.96 118.68 118.69 2cuh s LEU 17 Ca 0.00 0.73 -0.27 0.00 -0.22 0.00 0.00 54.13 54.37 2cuh s LEU 17 Cb -0.21 -3.24 -0.01 0.00 0.50 0.00 0.00 46.19 43.23 2cuh s LEU 17 CO -0.02 -1.87 1.74 0.21 -1.32 0.00 0.00 176.35 175.09 2cuh s ASN 18 N -4.57 5.67 0.44 3.68 3.84 -1.26 -4.96 114.94 117.78 2cuh s ASN 18 Ca 0.62 0.67 0.04 0.00 0.21 0.00 0.00 52.86 54.40 2cuh s ASN 18 Cb -0.11 -2.53 -0.05 0.00 -0.55 0.00 0.00 41.25 38.01 2cuh s ASN 18 CO 0.48 -2.00 0.03 -1.48 -2.79 0.00 0.00 177.10 171.34 2cuh s LEU 19 N 7.66 2.48 0.68 3.21 0.05 -1.26 -5.11 118.68 126.39 2cuh s LEU 19 Ca 0.68 -1.51 -0.17 0.00 0.05 0.00 0.00 54.13 53.18 2cuh s LEU 19 Cb -0.15 -0.69 -0.13 0.00 -2.05 0.00 0.00 46.19 43.16 2cuh s LEU 19 CO 0.26 -0.67 -0.21 1.07 -0.55 0.00 0.00 176.35 176.25 2cuh n THR 20 N -1.04 0.30 -0.89 5.48 5.66 -1.26 -4.77 114.28 117.76 2cuh n THR 20 Ca -0.10 -0.48 -0.13 0.00 -3.05 0.00 0.00 64.05 60.29 2cuh n THR 20 Cb 0.67 -0.12 -0.02 0.00 -1.55 0.00 0.00 70.33 69.31 2cuh n THR 20 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2cuh n GLU 21 N 1.42 1.69 0.00 1.09 -0.58 -1.26 -4.30 120.64 118.71 2cuh n GLU 21 Ca 0.05 -1.15 0.00 0.00 -0.42 0.00 0.00 57.16 55.64 2cuh n GLU 21 Cb 0.50 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.80 2cuh n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2cuh n GLY 22 N 1.08 -0.88 3.69 0.62 0.00 -1.26 -4.54 105.19 103.90 2cuh n GLY 22 Ca 0.26 0.19 -0.36 0.00 0.00 0.00 0.00 46.02 46.12 2cuh n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2cuh s PHE 23 N -0.84 3.36 0.29 1.61 -0.12 -1.26 -4.79 117.98 116.24 2cuh s PHE 23 Ca 0.00 0.31 0.06 0.00 -0.05 0.00 0.00 56.93 57.25 2cuh s PHE 23 Cb 0.00 -2.25 -0.02 0.00 -0.63 0.00 0.00 43.02 40.12 2cuh s PHE 23 CO 0.00 0.15 0.42 0.00 -0.05 0.00 0.00 175.22 175.74 2cuh s ALA 24 N 0.79 4.10 0.18 1.99 0.00 -1.18 -4.47 121.76 123.18 2cuh s ALA 24 Ca 0.09 -1.36 0.02 0.00 0.00 0.00 0.00 51.96 50.71 2cuh s ALA 24 Cb -0.13 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.25 2cuh s ALA 24 CO 0.02 0.09 0.02 0.14 0.00 0.00 0.00 175.76 176.03 2cuh s VAL 25 N -2.09 0.63 -0.22 0.00 -7.23 -1.26 -0.12 120.40 110.11 2cuh s VAL 25 Ca 0.40 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.54 2cuh s VAL 25 Cb -0.09 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.66 2cuh s VAL 25 CO 0.30 -0.42 -0.00 -0.76 -0.31 0.00 0.00 175.10 173.91 2cuh s LEU 26 N -3.18 3.16 -0.25 1.32 1.43 -1.10 -4.87 118.68 115.19 2cuh s LEU 26 Ca 0.25 -0.27 -0.06 0.00 -1.03 0.00 0.00 54.13 53.03 2cuh s LEU 26 Cb 0.06 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.46 2cuh s LEU 26 CO 0.05 0.02 0.03 -1.00 0.23 0.00 0.00 176.35 175.67 2cuh s HIS 27 N 1.28 3.05 0.12 0.29 3.76 -1.25 -2.73 115.29 119.81 2cuh s HIS 27 Ca 0.04 -0.76 0.06 0.00 -0.15 0.00 0.00 55.06 54.24 2cuh s HIS 27 Cb -0.15 -2.19 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 2cuh s HIS 27 CO 0.01 -0.48 -0.14 1.67 -0.85 0.00 0.00 174.74 174.94 2cuh s TRP 28 N 1.53 1.38 -0.18 1.40 -2.14 -1.25 -2.98 118.94 116.70 2cuh s TRP 28 Ca 0.05 -0.55 -0.13 0.00 2.66 0.00 0.00 56.10 58.13 2cuh s TRP 28 Cb -0.15 -0.73 -0.05 0.00 -3.10 0.00 0.00 33.47 29.44 2cuh s TRP 28 CO 0.01 0.13 0.26 0.21 -2.66 0.00 0.00 176.95 174.89 2cuh s LYS 29 N -2.58 4.23 -0.04 3.25 2.20 -1.04 -4.82 119.74 120.94 2cuh s LYS 29 Ca 0.08 0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.40 2cuh s LYS 29 Cb -0.05 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 2cuh s LYS 29 CO 0.03 0.22 1.49 -1.25 -0.36 0.00 0.00 175.35 175.48 2cuh s PRO 30 N 0.55 4.23 0.79 4.03 0.04 -1.26 -3.62 135.00 139.76 2cuh s PRO 30 Ca 0.14 2.03 -0.11 0.00 0.04 0.00 0.00 61.00 63.10 2cuh s PRO 30 Cb -0.13 -3.76 0.07 0.00 0.04 0.00 0.00 34.50 30.73 2cuh s PRO 30 CO 0.03 -0.71 1.09 -1.25 0.04 0.00 0.00 177.00 176.20 2cuh s PRO 31 N 3.19 2.11 0.16 0.56 0.04 -1.26 -4.90 135.00 134.89 2cuh s PRO 31 Ca 0.67 1.13 -0.14 0.00 0.04 0.00 0.00 61.00 62.70 2cuh s PRO 31 Cb -0.31 -1.88 0.14 0.00 0.04 0.00 0.00 34.50 32.49 2cuh s PRO 31 CO 0.26 -1.74 1.09 0.94 0.04 0.00 0.00 177.00 177.60 2cuh n GLN 32 N -3.58 -0.18 -3.46 4.56 -0.06 -1.26 -3.82 117.38 109.57 2cuh n GLN 32 Ca 0.09 1.08 -0.38 0.00 -2.00 0.00 0.00 57.00 55.79 2cuh n GLN 32 Cb 0.53 -1.60 -0.09 0.00 -4.06 0.00 0.00 30.24 25.02 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 -5.27 6.25 0.40 1.69 2.47 -1.26 -5.07 114.94 114.16 2cuh s ASN 33 Ca -0.10 0.28 -0.25 0.00 0.42 0.00 0.00 52.86 53.21 2cuh s ASN 33 Cb 0.14 -2.19 -0.08 0.00 -1.45 0.00 0.00 41.25 37.67 2cuh s ASN 33 CO 0.49 -0.09 1.19 -2.16 -3.72 0.00 0.00 177.10 172.81 2cuh s PRO 34 N 1.65 4.03 0.37 0.43 0.04 -1.25 -4.90 135.00 135.37 2cuh s PRO 34 Ca 0.14 1.88 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 2cuh s PRO 34 Cb -0.15 -2.67 0.07 0.00 0.04 0.00 0.00 34.50 31.79 2cuh s PRO 34 CO 0.09 -0.35 0.51 1.33 0.04 0.00 0.00 177.00 178.61 2cuh n VAL 35 N 0.06 0.00 -0.11 -0.36 0.24 -1.26 -5.07 118.33 111.82 2cuh n VAL 35 Ca 0.04 -0.78 -0.21 0.00 -2.04 0.00 0.00 64.34 61.35 2cuh n VAL 35 Cb 0.46 -1.15 -0.07 0.00 -1.47 0.00 0.00 33.84 31.61 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 -2.97 1.85 -3.83 -1.34 9.92 -1.17 -4.06 116.55 114.96 2cuh n ASP 36 Ca 0.08 0.32 -0.13 0.00 -0.53 0.00 0.00 54.79 54.53 2cuh n ASP 36 Cb 0.30 -0.74 -0.14 0.00 -0.64 0.00 0.00 41.12 39.89 2cuh n ASP 36 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2cuh s THR 37 N -2.61 -0.01 -0.16 -3.53 -4.23 -1.25 0.46 115.64 104.30 2cuh s THR 37 Ca -0.33 0.05 -0.14 0.00 -1.18 0.00 0.00 61.69 60.08 2cuh s THR 37 Cb 0.10 -0.12 -0.05 0.00 1.34 0.00 0.00 72.50 73.77 2cuh s THR 37 CO 0.44 0.02 0.32 -0.31 -0.54 0.00 0.00 174.62 174.55 2cuh s TYR 38 N 0.30 3.45 -0.48 3.99 2.02 0.84 -0.94 117.35 126.52 2cuh s TYR 38 Ca -0.02 0.62 -0.17 0.00 -0.37 0.00 0.00 57.07 57.13 2cuh s TYR 38 Cb -0.03 -2.39 0.06 0.00 -0.40 0.00 0.00 41.96 39.20 2cuh s TYR 38 CO -0.01 0.20 0.51 0.34 -1.57 0.00 0.00 175.55 175.01 2cuh s ASP 39 N 0.57 6.19 -0.05 2.29 2.15 0.18 -2.97 116.67 125.03 2cuh s ASP 39 Ca 0.18 -1.08 -0.00 0.00 0.43 0.00 0.00 52.55 52.08 2cuh s ASP 39 Cb -0.13 -2.24 -0.03 0.00 -0.30 0.00 0.00 42.92 40.21 2cuh s ASP 39 CO 0.05 -0.76 -0.00 -0.63 -0.17 0.00 0.00 175.17 173.66 2cuh s ILE 40 N 2.15 4.22 -0.06 4.11 1.09 -1.14 -0.90 121.20 130.67 2cuh s ILE 40 Ca 0.10 -0.42 0.00 0.00 -1.10 0.00 0.00 60.65 59.23 2cuh s ILE 40 Cb -0.21 -2.82 0.02 0.00 -1.06 0.00 0.00 42.46 38.39 2cuh s ILE 40 CO 0.10 0.50 -0.03 -1.58 -0.10 0.00 0.00 174.94 173.83 2cuh s GLN 41 N -1.19 0.76 -0.16 2.79 -0.44 -0.80 -3.33 119.66 117.29 2cuh s GLN 41 Ca 0.16 -0.03 -0.02 0.00 -2.50 0.00 0.00 55.36 52.98 2cuh s GLN 41 Cb -0.11 -0.91 -0.01 0.00 -1.64 0.00 0.00 33.01 30.33 2cuh s GLN 41 CO 0.06 -0.17 -0.10 0.08 0.50 0.00 0.00 175.29 175.66 2cuh s VAL 42 N 1.33 3.21 0.16 1.34 1.01 -0.85 -1.95 120.40 124.65 2cuh s VAL 42 Ca -0.05 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 2cuh s VAL 42 Cb -0.13 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 2cuh s VAL 42 CO -0.02 0.49 0.27 0.42 0.00 0.00 0.00 175.10 176.26 2cuh s THR 43 N 0.69 0.07 -0.12 3.92 -4.23 -0.95 -2.02 115.64 112.99 2cuh s THR 43 Ca -0.05 -1.42 -0.31 0.00 -1.18 0.00 0.00 61.69 58.73 2cuh s THR 43 Cb -0.15 -1.86 0.13 0.00 1.34 0.00 0.00 72.50 71.95 2cuh s THR 43 CO 0.02 -0.30 1.05 0.00 -0.54 0.00 0.00 174.62 174.85 2cuh s ALA 44 N -3.97 -1.95 -0.56 3.99 0.00 -1.26 -1.48 121.76 116.53 2cuh s ALA 44 Ca 0.18 1.39 -0.27 0.00 0.00 0.00 0.00 51.96 53.26 2cuh s ALA 44 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2cuh s ALA 44 CO 0.00 -0.55 1.83 -1.25 0.00 0.00 0.00 175.76 175.79 2cuh s PRO 45 N -2.34 2.79 0.00 0.00 0.04 -1.26 -2.61 135.00 131.61 2cuh s PRO 45 Ca 0.05 0.75 0.00 0.00 0.04 0.00 0.00 61.00 61.85 2cuh s PRO 45 Cb -0.01 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2cuh s PRO 45 CO -0.05 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 174.86 2cuh n GLY 46 N 5.62 1.51 3.10 0.56 0.00 -1.26 -5.03 105.19 109.70 2cuh n GLY 46 Ca 0.21 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.04 -0.24 0.42 4.61 0.00 -1.07 -5.15 121.76 118.29 2cuh s ALA 47 Ca 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.44 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 -0.24 1.18 -1.25 0.00 0.00 0.00 175.76 175.46 2cuh s PRO 48 N -1.72 3.95 0.50 0.00 0.04 -1.26 -4.54 135.00 131.98 2cuh s PRO 48 Ca -0.12 1.85 -0.21 0.00 0.04 0.00 0.00 61.00 62.56 2cuh s PRO 48 Cb -0.06 -2.60 -0.07 0.00 0.04 0.00 0.00 34.50 31.81 2cuh s PRO 48 CO -0.00 -0.41 1.15 -1.25 0.04 0.00 0.00 177.00 176.52 2cuh s PRO 49 N -2.42 3.54 -0.03 0.56 0.04 -1.26 -4.83 135.00 130.61 2cuh s PRO 49 Ca 0.59 1.69 0.01 0.00 0.04 0.00 0.00 61.00 63.33 2cuh s PRO 49 Cb -0.31 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.06 2cuh s PRO 49 CO 0.38 -0.71 -0.04 -1.17 0.04 0.00 0.00 177.00 175.50 2cuh s LEU 50 N -3.44 1.48 -0.05 -3.56 2.96 -0.86 -5.04 118.68 110.18 2cuh s LEU 50 Ca 0.68 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.53 2cuh s LEU 50 Cb -0.26 -0.37 0.00 0.00 0.50 0.00 0.00 46.19 46.07 2cuh s LEU 50 CO 0.30 -0.03 -0.15 -1.58 -1.32 0.00 0.00 176.35 173.57 2cuh s GLN 51 N 0.65 1.75 0.13 1.98 2.00 -1.26 -2.01 119.66 122.90 2cuh s GLN 51 Ca -0.08 -0.54 -0.12 0.00 -2.00 0.00 0.00 55.36 52.62 2cuh s GLN 51 Cb -0.11 -1.49 0.01 0.00 0.80 0.00 0.00 33.01 32.22 2cuh s GLN 51 CO -0.00 0.17 0.33 0.00 -0.50 0.00 0.00 175.29 175.28 2cuh s ALA 52 N 0.25 -0.49 0.05 1.58 0.00 -1.21 -5.08 121.76 116.85 2cuh s ALA 52 Ca -0.08 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 2cuh s ALA 52 Cb -0.13 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 2cuh s ALA 52 CO 0.03 -0.63 -0.03 -2.00 0.00 0.00 0.00 175.76 173.13 2cuh s GLU 53 N -3.87 0.59 -0.06 0.00 2.56 -1.26 -2.89 118.70 113.77 2cuh s GLU 53 Ca 0.08 -1.18 -0.14 0.00 0.00 0.00 0.00 54.97 53.73 2cuh s GLU 53 Cb 0.03 0.20 0.03 0.00 2.00 0.00 0.00 34.13 36.38 2cuh s GLU 53 CO -0.07 -0.11 0.32 -0.08 -0.56 0.00 0.00 175.26 174.77 2cuh s THR 54 N -3.77 0.04 0.50 -1.70 -1.32 -1.16 -4.96 115.64 103.27 2cuh s THR 54 Ca 0.06 -0.29 -0.21 0.00 -1.21 0.00 0.00 61.69 60.03 2cuh s THR 54 Cb 0.07 -0.57 -0.07 0.00 -1.51 0.00 0.00 72.50 70.43 2cuh s THR 54 CO -0.09 -0.16 1.15 -2.16 -2.21 0.00 0.00 174.62 171.14 2cuh s PRO 55 N -0.75 3.54 0.25 7.08 0.04 -1.26 -0.11 135.00 143.79 2cuh s PRO 55 Ca -0.08 1.69 0.12 0.00 0.04 0.00 0.00 61.00 62.76 2cuh s PRO 55 Cb -0.04 -2.19 0.63 0.00 0.04 0.00 0.00 34.50 32.94 2cuh s PRO 55 CO 0.03 -0.71 1.26 0.41 0.04 0.00 0.00 177.00 178.02 2cuh n GLY 56 N 0.29 -0.60 0.00 0.56 0.00 0.17 -0.41 105.19 105.21 2cuh n GLY 56 Ca 0.10 0.11 0.02 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.93 0.00 -4.30 1.61 2.88 -1.26 -4.74 113.62 105.87 2cuh n SER 57 Ca -0.01 -1.64 -0.29 0.00 -1.33 0.00 0.00 58.87 55.61 2cuh n SER 57 Cb 0.24 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.55 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 2.05 -0.13 -1.46 0.00 0.45 -5.03 121.76 115.65 2cuh s ALA 58 Ca 0.06 -1.16 0.15 0.00 0.00 0.00 0.00 51.96 51.00 2cuh s ALA 58 Cb 0.03 -0.44 0.30 0.00 0.00 0.00 0.00 23.12 23.01 2cuh s ALA 58 CO 0.05 0.48 1.15 1.33 0.00 0.00 0.00 175.76 178.77 2cuh n VAL 59 N 1.91 1.63 -3.64 0.00 0.24 -1.26 -4.95 118.33 112.25 2cuh n VAL 59 Ca -0.17 -2.20 -0.03 0.00 -2.04 0.00 0.00 64.34 59.91 2cuh n VAL 59 Cb 0.52 -0.07 -0.07 0.00 -1.47 0.00 0.00 33.84 32.76 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 -2.70 -0.43 -0.37 -1.34 -4.77 -1.26 -3.81 116.67 101.99 2cuh s ASP 60 Ca 0.30 0.71 0.01 0.00 -3.30 0.00 0.00 52.55 50.27 2cuh s ASP 60 Cb 0.28 1.09 0.11 0.00 -1.09 0.00 0.00 42.92 43.32 2cuh s ASP 60 CO -0.02 -0.11 0.14 -0.47 0.70 0.00 0.00 175.17 175.41 2cuh s TYR 61 N 1.10 2.25 0.07 2.11 5.04 -1.11 -4.98 117.35 121.84 2cuh s TYR 61 Ca -0.07 -2.26 -0.31 0.00 -2.44 0.00 0.00 57.07 52.00 2cuh s TYR 61 Cb -0.04 -2.05 -0.07 0.00 0.35 0.00 0.00 41.96 40.15 2cuh s TYR 61 CO -0.13 -0.86 1.39 -1.25 -1.34 0.00 0.00 175.55 173.36 2cuh s PRO 62 N 1.00 4.31 -0.14 4.97 0.04 -1.26 -2.70 135.00 141.22 2cuh s PRO 62 Ca 0.13 2.03 -0.06 0.00 0.04 0.00 0.00 61.00 63.13 2cuh s PRO 62 Cb -0.20 -3.38 -0.04 0.00 0.04 0.00 0.00 34.50 30.92 2cuh s PRO 62 CO -0.13 -0.48 0.09 -0.51 0.04 0.00 0.00 177.00 176.01 2cuh s LEU 63 N 1.61 4.06 0.43 -3.56 1.43 0.83 -4.95 118.68 118.52 2cuh s LEU 63 Ca 0.64 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 54.06 2cuh s LEU 63 Cb -0.35 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 2cuh s LEU 63 CO 0.29 0.31 0.03 -1.00 0.23 0.00 0.00 176.35 176.21 2cuh s HIS 64 N -0.47 2.15 -0.89 0.29 3.76 -1.26 -3.10 115.29 115.78 2cuh s HIS 64 Ca 0.11 -0.87 -0.00 0.00 -0.15 0.00 0.00 55.06 54.15 2cuh s HIS 64 Cb -0.12 -1.59 -0.00 0.00 1.11 0.00 0.00 32.58 31.98 2cuh s HIS 64 CO 0.02 0.24 0.74 -3.47 -0.85 0.00 0.00 174.74 171.42 2cuh n ASP 65 N -1.06 -2.12 -4.48 1.40 2.03 -1.26 -5.03 116.55 106.03 2cuh n ASP 65 Ca -0.09 -0.46 -0.32 0.00 0.52 0.00 0.00 54.79 54.43 2cuh n ASP 65 Cb 0.67 -3.93 -0.13 0.00 -0.72 0.00 0.00 41.12 37.01 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 -5.22 2.75 -0.01 -2.67 1.43 -1.26 -5.10 118.68 108.60 2cuh s LEU 66 Ca 0.01 -0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 52.60 2cuh s LEU 66 Cb -0.00 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 2cuh s LEU 66 CO 0.54 0.33 0.90 -0.69 0.23 0.00 0.00 176.35 177.66 2cuh s VAL 67 N -0.78 4.88 1.18 -1.59 1.01 -1.26 -5.00 120.40 118.84 2cuh s VAL 67 Ca 0.12 1.89 -0.19 0.00 0.00 0.00 0.00 61.98 63.81 2cuh s VAL 67 Cb -0.11 -4.24 0.28 0.00 0.00 0.00 0.00 36.38 32.31 2cuh s VAL 67 CO 0.02 0.20 1.12 -0.76 0.00 0.00 0.00 175.10 175.68 2cuh s LEU 68 N 0.84 0.87 -1.17 3.92 2.01 -1.26 -3.79 118.68 120.09 2cuh s LEU 68 Ca 0.48 0.63 -0.11 0.00 0.01 0.00 0.00 54.13 55.13 2cuh s LEU 68 Cb -0.20 -2.40 0.10 0.00 0.01 0.00 0.00 46.19 43.70 2cuh s LEU 68 CO 0.25 -3.99 0.41 1.41 1.01 0.00 0.00 176.35 175.44 2cuh n HIS 69 N -4.67 -1.68 -3.91 0.29 8.25 0.14 -4.91 115.22 108.73 2cuh n HIS 69 Ca 0.13 0.42 -0.11 0.00 -0.26 0.00 0.00 57.72 57.91 2cuh n HIS 69 Cb 0.59 -2.33 -0.12 0.00 1.12 0.00 0.00 29.99 29.26 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 -2.82 0.06 -0.52 1.59 2.01 -1.25 -5.04 115.64 109.67 2cuh s THR 70 Ca 0.42 -0.53 -0.20 0.00 0.31 0.00 0.00 61.69 61.68 2cuh s THR 70 Cb -0.23 -0.25 0.06 0.00 0.01 0.00 0.00 72.50 72.09 2cuh s THR 70 CO 0.51 -0.29 0.71 0.20 -0.69 0.00 0.00 174.62 175.06 2cuh s ASN 71 N -0.91 6.25 -0.17 3.53 -0.87 -1.26 -3.53 114.94 117.97 2cuh s ASN 71 Ca -0.10 -0.79 -0.13 0.00 -1.57 0.00 0.00 52.86 50.27 2cuh s ASN 71 Cb -0.06 -2.33 -0.05 0.00 -0.02 0.00 0.00 41.25 38.79 2cuh s ASN 71 CO 0.00 -0.99 0.25 -0.31 -2.57 0.00 0.00 177.10 173.48 2cuh s TYR 72 N 2.97 3.44 -0.20 2.20 2.02 -1.25 -4.54 117.35 122.00 2cuh s TYR 72 Ca 0.19 0.51 -0.07 0.00 -0.37 0.00 0.00 57.07 57.33 2cuh s TYR 72 Cb -0.18 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 2cuh s TYR 72 CO 0.13 0.24 0.05 0.99 -1.57 0.00 0.00 175.55 175.40 2cuh s THR 73 N 0.47 4.54 0.15 -0.71 2.01 -0.55 -3.82 115.64 117.73 2cuh s THR 73 Ca 0.14 -0.11 0.09 0.00 0.31 0.00 0.00 61.69 62.11 2cuh s THR 73 Cb -0.12 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.28 2cuh s THR 73 CO 0.02 0.43 -0.14 0.00 -0.69 0.00 0.00 174.62 174.24 2cuh s ALA 74 N 0.70 2.80 -0.16 7.40 0.00 -1.23 -2.25 121.76 129.03 2cuh s ALA 74 Ca 0.03 -1.41 -0.05 0.00 0.00 0.00 0.00 51.96 50.53 2cuh s ALA 74 Cb -0.13 -0.68 0.06 0.00 0.00 0.00 0.00 23.12 22.36 2cuh s ALA 74 CO 0.02 0.54 0.09 0.99 0.00 0.00 0.00 175.76 177.40 2cuh s THR 75 N -1.41 -0.10 -0.07 0.00 2.01 -0.82 -2.91 115.64 112.33 2cuh s THR 75 Ca 0.21 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 62.03 2cuh s THR 75 Cb -0.10 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.83 2cuh s THR 75 CO 0.12 -0.24 0.19 -0.69 -0.69 0.00 0.00 174.62 173.31 2cuh s VAL 76 N 2.15 5.43 0.05 3.82 1.01 0.63 -1.91 120.40 131.58 2cuh s VAL 76 Ca 0.02 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2cuh s VAL 76 Cb -0.16 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2cuh s VAL 76 CO -0.09 0.52 -0.03 -0.13 0.00 0.00 0.00 175.10 175.37 2cuh s ARG 77 N -1.32 0.61 -0.22 2.72 0.52 -0.08 -0.34 118.95 120.85 2cuh s ARG 77 Ca 0.20 -1.19 -0.04 0.00 -0.52 0.00 0.00 55.73 54.18 2cuh s ARG 77 Cb -0.13 0.16 -0.01 0.00 0.52 0.00 0.00 34.95 35.49 2cuh s ARG 77 CO 0.09 -0.10 -0.03 0.20 0.02 0.00 0.00 175.30 175.48 2cuh s GLY 78 N -2.82 1.62 -0.64 -3.53 0.00 -1.26 -0.64 107.32 100.05 2cuh s GLY 78 Ca 0.06 -1.15 -0.23 0.00 0.00 0.00 0.00 44.72 43.40 2cuh s GLY 78 CO -0.09 0.42 0.94 1.08 0.00 0.00 0.00 173.10 175.46 2cuh s LEU 79 N 1.46 4.38 -0.41 0.66 2.01 -0.12 -1.44 118.68 125.22 2cuh s LEU 79 Ca 0.05 -0.91 0.03 0.00 0.01 0.00 0.00 54.13 53.31 2cuh s LEU 79 Cb -0.14 -2.47 0.11 0.00 0.01 0.00 0.00 46.19 43.69 2cuh s LEU 79 CO -0.02 -1.39 0.15 -0.13 1.01 0.00 0.00 176.35 175.96 2cuh s ARG 80 N 3.97 1.74 3.79 1.70 0.52 -1.14 -3.03 118.95 126.51 2cuh s ARG 80 Ca 0.23 -2.09 0.00 0.00 -0.52 0.00 0.00 55.73 53.34 2cuh s ARG 80 Cb -0.16 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 31.99 2cuh s ARG 80 CO 0.11 -1.01 0.00 0.41 0.02 0.00 0.00 175.30 174.83 2cuh n GLY 81 N 3.97 1.03 0.00 -3.53 0.00 -1.26 -2.13 105.19 103.26 2cuh n GLY 81 Ca 0.04 -0.62 0.05 0.00 0.00 0.00 0.00 46.02 45.49 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 0.48 -4.62 1.61 -0.04 -1.26 -4.73 135.00 126.44 2cuh n PRO 82 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 2cuh n PRO 82 Cb 0.00 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.06 2cuh n PRO 82 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2cuh s ASN 83 N -1.82 4.10 0.25 3.54 0.01 -0.91 -5.16 114.94 114.95 2cuh s ASN 83 Ca 0.15 -1.49 0.05 0.00 -0.71 0.00 0.00 52.86 50.85 2cuh s ASN 83 Cb 0.07 0.14 -0.05 0.00 0.41 0.00 0.00 41.25 41.81 2cuh s ASN 83 CO 0.11 -0.71 -0.03 -0.76 -1.51 0.00 0.00 177.10 174.21 2cuh s LEU 84 N -3.85 2.33 0.55 0.60 1.43 -1.26 -2.88 118.68 115.60 2cuh s LEU 84 Ca 0.20 -1.21 0.08 0.00 -1.03 0.00 0.00 54.13 52.17 2cuh s LEU 84 Cb 0.04 -0.44 0.06 0.00 0.03 0.00 0.00 46.19 45.88 2cuh s LEU 84 CO 0.10 -0.44 0.59 0.42 0.23 0.00 0.00 176.35 177.26 2cuh s THR 85 N -3.23 1.97 0.04 5.49 -4.23 -0.52 -4.90 115.64 110.26 2cuh s THR 85 Ca 0.29 -1.24 -0.31 0.00 -1.18 0.00 0.00 61.69 59.26 2cuh s THR 85 Cb 0.05 -2.21 -0.06 0.00 1.34 0.00 0.00 72.50 71.62 2cuh s THR 85 CO 0.10 0.00 1.37 -0.94 -0.54 0.00 0.00 174.62 174.61 2cuh s SER 86 N -4.46 6.88 0.44 3.99 1.04 -1.26 -4.56 113.70 115.77 2cuh s SER 86 Ca 0.49 2.16 -0.24 0.00 0.48 0.00 0.00 55.95 58.84 2cuh s SER 86 Cb -0.04 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.43 2cuh s SER 86 CO 0.30 -0.66 1.17 -2.16 0.98 0.00 0.00 173.24 172.88 2cuh s PRO 87 N 1.79 3.85 -0.13 4.02 0.04 -1.26 -4.33 135.00 138.97 2cuh s PRO 87 Ca 0.63 1.81 -0.02 0.00 0.04 0.00 0.00 61.00 63.46 2cuh s PRO 87 Cb -0.33 -2.49 0.04 0.00 0.04 0.00 0.00 34.50 31.76 2cuh s PRO 87 CO 0.28 -0.49 0.02 0.00 0.04 0.00 0.00 177.00 176.85 2cuh s ALA 88 N -1.50 0.84 0.40 8.56 0.00 0.54 -4.96 121.76 125.65 2cuh s ALA 88 Ca 0.61 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 52.26 2cuh s ALA 88 Cb -0.30 -0.94 -0.08 0.00 0.00 0.00 0.00 23.12 21.81 2cuh s ALA 88 CO 0.36 -0.78 -0.00 0.45 0.00 0.00 0.00 175.76 175.79 2cuh s SER 89 N 1.92 3.88 0.07 0.00 0.15 -1.26 -0.27 113.70 118.20 2cuh s SER 89 Ca 0.02 -1.31 -0.23 0.00 0.70 0.00 0.00 55.95 55.13 2cuh s SER 89 Cb -0.14 -0.40 0.06 0.00 -1.71 0.00 0.00 66.02 63.83 2cuh s SER 89 CO -0.07 -0.40 0.55 -0.51 1.20 0.00 0.00 173.24 174.01 2cuh s ILE 90 N -2.68 0.02 -0.33 6.45 2.07 -1.15 -4.96 121.20 120.62 2cuh s ILE 90 Ca 0.35 -0.19 -0.06 0.00 -1.41 0.00 0.00 60.65 59.35 2cuh s ILE 90 Cb 0.08 -1.00 0.04 0.00 0.13 0.00 0.00 42.46 41.71 2cuh s ILE 90 CO 0.18 -0.10 0.09 -0.89 -1.91 0.00 0.00 174.94 172.30 2cuh s THR 91 N -2.73 3.65 -0.06 4.00 2.01 -1.26 -3.47 115.64 117.78 2cuh s THR 91 Ca -0.04 -1.17 0.02 0.00 0.31 0.00 0.00 61.69 60.81 2cuh s THR 91 Cb -0.00 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.46 2cuh s THR 91 CO -0.04 -0.16 -0.08 0.72 -0.69 0.00 0.00 174.62 174.37 2cuh s PHE 92 N 1.38 1.09 0.13 4.92 -0.71 -1.25 -5.05 117.98 118.50 2cuh s PHE 92 Ca -0.02 -0.37 -0.19 0.00 -1.04 0.00 0.00 56.93 55.31 2cuh s PHE 92 Cb -0.20 -0.86 -0.07 0.00 -1.21 0.00 0.00 43.02 40.68 2cuh s PHE 92 CO 0.02 -0.24 0.63 0.99 -1.34 0.00 0.00 175.22 175.28 2cuh s THR 93 N 0.81 4.67 -0.31 -4.49 2.01 -1.26 -3.74 115.64 113.34 2cuh s THR 93 Ca -0.12 1.22 -0.11 0.00 0.31 0.00 0.00 61.69 62.98 2cuh s THR 93 Cb -0.15 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 2cuh s THR 93 CO 0.02 0.41 0.20 0.42 -0.69 0.00 0.00 174.62 174.98 2cuh s THR 94 N -1.28 5.17 0.00 -0.82 -4.23 -1.23 -4.14 115.64 109.11 2cuh s THR 94 Ca 0.35 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 2cuh s THR 94 Cb -0.18 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.10 2cuh s THR 94 CO 0.20 0.13 0.00 0.61 -0.54 0.00 0.00 174.62 175.02 2cuh n GLY 95 N 5.06 2.28 0.00 3.99 0.00 -1.26 -0.69 105.19 114.58 2cuh n GLY 95 Ca -0.14 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 0.00 -0.29 0.99 -0.00 -1.26 -4.11 117.00 112.33 2cuh n LEU 96 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.19 2cuh n LEU 96 Cb 0.00 0.00 0.34 0.00 -0.00 0.00 0.00 43.42 43.76 2cuh n LEU 96 CO 0.00 0.00 0.76 -0.62 -0.00 0.00 0.00 177.39 177.53 2cuh n GLU 97 N -0.74 -0.06 -1.14 1.47 1.02 -1.26 -4.56 120.64 115.37 2cuh n GLU 97 Ca 0.09 1.24 -0.37 0.00 -0.02 0.00 0.00 57.16 58.11 2cuh n GLU 97 Cb 0.04 -2.06 -0.01 0.00 -0.02 0.00 0.00 31.44 29.40 2cuh n GLU 97 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cuh n ALA 98 N -2.94 -2.76 -1.00 0.62 0.00 -1.26 -4.95 120.51 108.22 2cuh n ALA 98 Ca 0.24 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2cuh n ALA 98 Cb 0.81 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 1.12 0.21 -0.97 0.00 -0.04 -1.26 -4.79 135.00 129.27 2cuh n PRO 99 Ca 0.11 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.31 2cuh n PRO 99 Cb 0.33 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.74 2cuh n PRO 99 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2cuh n ARG 100 N -0.59 2.58 0.00 0.54 1.74 -1.26 -3.69 116.66 115.98 2cuh n ARG 100 Ca 0.00 -1.58 0.00 0.00 -0.77 0.00 0.00 57.85 55.50 2cuh n ARG 100 Cb 0.00 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 28.99 2cuh n ARG 100 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2cuh n ASP 101 N 3.59 0.72 -4.61 0.55 5.75 -1.26 -4.91 116.55 116.37 2cuh n ASP 101 Ca 0.55 -1.33 -0.42 0.00 -0.01 0.00 0.00 54.79 53.58 2cuh n ASP 101 Cb 0.31 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.34 2cuh n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2cuh s LEU 102 N -0.33 4.10 -1.43 -2.12 1.43 -1.24 -4.23 118.68 114.86 2cuh s LEU 102 Ca 0.00 0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 53.69 2cuh s LEU 102 Cb 0.00 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 43.20 2cuh s LEU 102 CO 0.00 -0.58 0.30 -0.62 0.23 0.00 0.00 176.35 175.68 2cuh n GLU 103 N 6.13 -1.89 -4.17 1.70 1.02 -1.26 -4.95 120.64 117.22 2cuh n GLU 103 Ca 0.03 0.25 -0.27 0.00 -0.02 0.00 0.00 57.16 57.14 2cuh n GLU 103 Cb 0.48 -3.91 -0.07 0.00 -0.02 0.00 0.00 31.44 27.92 2cuh n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cuh s ALA 104 N -4.06 3.30 -0.16 0.62 0.00 -1.26 -5.12 121.76 115.08 2cuh s ALA 104 Ca 0.08 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.76 2cuh s ALA 104 Cb -0.04 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 21.99 2cuh s ALA 104 CO 0.94 0.52 -0.20 0.15 0.00 0.00 0.00 175.76 177.17 2cuh s LYS 105 N -2.89 2.87 0.33 0.00 -0.14 -1.26 -5.09 119.74 113.57 2cuh s LYS 105 Ca 0.28 -0.79 -0.02 0.00 -1.36 0.00 0.00 55.97 54.08 2cuh s LYS 105 Cb -0.10 -2.44 -0.04 0.00 -1.68 0.00 0.00 37.83 33.57 2cuh s LYS 105 CO 0.20 -0.16 0.57 -1.83 -0.76 0.00 0.00 175.35 173.37 2cuh s GLU 106 N 1.18 3.55 -0.34 1.68 4.04 -1.26 -5.08 118.70 122.47 2cuh s GLU 106 Ca 0.01 -0.15 0.02 0.00 0.04 0.00 0.00 54.97 54.90 2cuh s GLU 106 Cb -0.14 -2.63 0.09 0.00 0.02 0.00 0.00 34.13 31.47 2cuh s GLU 106 CO -0.09 0.15 0.05 0.08 -1.84 0.00 0.00 175.26 173.61 2cuh s VAL 107 N -2.26 2.48 0.33 1.83 1.01 -1.26 -5.10 120.40 117.44 2cuh s VAL 107 Ca 0.42 -2.16 -0.28 0.00 0.00 0.00 0.00 61.98 59.97 2cuh s VAL 107 Cb -0.10 -2.74 -0.09 0.00 0.00 0.00 0.00 36.38 33.45 2cuh s VAL 107 CO 0.34 -0.52 1.14 0.28 0.00 0.00 0.00 175.10 176.35 2cuh s THR 108 N 0.99 3.32 0.81 3.92 -1.32 -1.26 -5.02 115.64 117.08 2cuh s THR 108 Ca 0.07 1.24 -0.11 0.00 -1.21 0.00 0.00 61.69 61.68 2cuh s THR 108 Cb -0.20 -3.75 0.08 0.00 -1.51 0.00 0.00 72.50 67.12 2cuh s THR 108 CO -0.07 0.22 1.09 -2.16 -2.21 0.00 0.00 174.62 171.50 2cuh s PRO 109 N -1.83 1.95 0.32 7.08 0.04 -1.26 -5.08 135.00 136.23 2cuh s PRO 109 Ca 0.50 1.06 0.04 0.00 0.04 0.00 0.00 61.00 62.64 2cuh s PRO 109 Cb -0.32 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 2cuh s PRO 109 CO 0.41 -1.83 0.18 0.45 0.04 0.00 0.00 177.00 176.24 2cuh s SER 110 N -3.41 1.72 -0.25 6.66 0.15 -1.26 -5.18 113.70 112.14 2cuh s SER 110 Ca 0.62 -1.61 -0.28 0.00 0.70 0.00 0.00 55.95 55.38 2cuh s SER 110 Cb -0.17 0.44 0.16 0.00 -1.71 0.00 0.00 66.02 64.73 2cuh s SER 110 CO 0.56 -0.93 1.22 -0.83 1.20 0.00 0.00 173.24 174.47 2cuh s GLY 111 N -3.41 0.01 0.75 9.45 0.00 -1.26 -5.17 107.32 107.70 2cuh s GLY 111 Ca 0.35 2.75 -0.11 0.00 0.00 0.00 0.00 44.72 47.71 2cuh s GLY 111 CO 0.19 1.42 1.09 2.56 0.00 0.00 0.00 173.10 178.36 2cuh s PRO 112 N -0.56 2.34 -0.10 2.90 0.04 -1.26 -5.07 135.00 133.28 2cuh s PRO 112 Ca 0.05 1.20 -0.06 0.00 0.04 0.00 0.00 61.00 62.23 2cuh s PRO 112 Cb -0.03 -1.91 0.04 0.00 0.04 0.00 0.00 34.50 32.65 2cuh s PRO 112 CO -0.07 -1.58 0.25 0.45 0.04 0.00 0.00 177.00 176.09 2cuh s SER 113 N -3.26 -0.27 0.10 6.66 0.15 -1.26 -5.16 113.70 110.66 2cuh s SER 113 Ca 0.62 0.53 -0.26 0.00 0.70 0.00 0.00 55.95 57.53 2cuh s SER 113 Cb -0.18 0.45 0.08 0.00 -1.71 0.00 0.00 66.02 64.66 2cuh s SER 113 CO 0.54 -0.14 0.98 -0.44 1.20 0.00 0.00 173.24 175.38 2cuh s SER 114 N 0.93 -0.20 0.00 5.45 0.01 -1.26 -5.38 113.70 113.24 2cuh s SER 114 Ca -0.07 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.90 2cuh s SER 114 Cb -0.08 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.58 2cuh s SER 114 CO -0.06 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.42