#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uew s SER 2 N 0.00 5.27 0.12 1.61 1.04 -1.26 -4.89 113.70 115.60 1uew s SER 2 Ca 0.00 -0.33 -0.08 0.00 0.48 0.00 0.00 55.95 56.02 1uew s SER 2 Cb 0.00 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 1uew s SER 2 CO 0.00 -2.54 0.22 -0.44 0.98 0.00 0.00 173.24 171.46 1uew s SER 3 N 7.83 0.11 0.00 7.02 0.01 -1.26 -5.16 113.70 122.25 1uew s SER 3 Ca 0.67 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 57.13 1uew s SER 3 Cb -0.09 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.52 1uew s SER 3 CO 0.07 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.53 1uew n GLY 4 N -0.13 1.06 0.98 3.44 0.00 -1.26 -5.09 105.19 104.18 1uew n GLY 4 Ca -0.11 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1uew n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1uew n SER 5 N 0.00 0.00 0.21 1.61 2.88 -1.26 -4.97 113.62 112.09 1uew n SER 5 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1uew n SER 5 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1uew n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1uew h SER 6 N 0.00 -0.49 0.00 -3.46 0.02 -2.04 -3.49 113.55 104.09 1uew h SER 6 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1uew h SER 6 Cb 0.00 0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1uew h SER 6 CO 0.00 -0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.22 1uew n GLY 7 N -0.10 0.40 1.28 -3.77 0.00 -1.26 -5.03 105.19 96.72 1uew n GLY 7 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1uew n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uew n SER 8 N 0.00 2.03 -3.63 1.61 7.64 -1.26 -4.33 113.62 115.68 1uew n SER 8 Ca 0.00 -1.31 -0.05 0.00 1.01 0.00 0.00 58.87 58.53 1uew n SER 8 Cb 0.00 -0.39 -0.07 0.00 -1.01 0.00 0.00 64.21 62.75 1uew n SER 8 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1uew s LEU 9 N 0.00 -0.90 -0.27 -3.43 2.96 -1.26 -5.14 118.68 110.64 1uew s LEU 9 Ca 0.00 1.24 -0.04 0.00 -0.22 0.00 0.00 54.13 55.11 1uew s LEU 9 Cb 0.00 1.81 0.02 0.00 0.50 0.00 0.00 46.19 48.52 1uew s LEU 9 CO 0.00 -0.23 0.01 -1.58 -1.32 0.00 0.00 176.35 173.23 1uew s GLN 10 N 2.75 2.92 0.24 1.98 2.00 -1.26 -5.10 119.66 123.19 1uew s GLN 10 Ca -0.03 -0.95 0.02 0.00 -2.00 0.00 0.00 55.36 52.41 1uew s GLN 10 Cb -0.12 -3.17 -0.05 0.00 0.80 0.00 0.00 33.01 30.46 1uew s GLN 10 CO -0.16 -0.44 0.04 0.95 -0.50 0.00 0.00 175.29 175.19 1uew s THR 11 N 1.40 0.83 0.10 -0.34 -4.23 -1.26 -4.60 115.64 107.53 1uew s THR 11 Ca 0.01 -2.01 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1uew s THR 11 Cb -0.17 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.16 1uew s THR 11 CO -0.01 -0.19 -0.18 -0.44 -0.54 0.00 0.00 174.62 173.26 1uew s SER 12 N -3.31 2.21 -0.45 3.99 0.01 -0.04 -4.95 113.70 111.15 1uew s SER 12 Ca 0.32 -0.69 0.04 0.00 1.31 0.00 0.00 55.95 56.93 1uew s SER 12 Cb 0.07 -0.10 0.12 0.00 0.21 0.00 0.00 66.02 66.32 1uew s SER 12 CO 0.11 -0.02 0.19 -1.81 0.41 0.00 0.00 173.24 172.12 1uew s ASP 13 N -1.98 4.42 -0.78 2.44 1.01 -1.26 -2.02 116.67 118.51 1uew s ASP 13 Ca 0.05 -2.69 -0.19 0.00 0.71 0.00 0.00 52.55 50.42 1uew s ASP 13 Cb -0.09 -1.59 0.12 0.00 1.01 0.00 0.00 42.92 42.37 1uew s ASP 13 CO 0.04 -0.28 0.95 -0.69 0.21 0.00 0.00 175.17 175.40 1uew s VAL 14 N 0.16 4.74 0.13 -1.27 1.01 -0.22 -4.82 120.40 120.13 1uew s VAL 14 Ca 0.15 -1.24 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 1uew s VAL 14 Cb -0.23 -4.66 -0.07 0.00 0.00 0.00 0.00 36.38 31.42 1uew s VAL 14 CO -0.03 -1.36 1.09 0.54 0.00 0.00 0.00 175.10 175.34 1uew s VAL 15 N 2.77 4.06 -0.07 2.92 0.11 -1.26 -2.00 120.40 126.92 1uew s VAL 15 Ca 0.24 1.68 0.01 0.00 -2.93 0.00 0.00 61.98 60.97 1uew s VAL 15 Cb -0.13 -4.07 0.02 0.00 -1.53 0.00 0.00 36.38 30.67 1uew s VAL 15 CO -0.01 0.24 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.30 1uew s ILE 16 N 0.13 0.87 0.27 7.04 1.01 0.32 -4.98 121.20 125.87 1uew s ILE 16 Ca 0.51 -0.28 -0.05 0.00 0.00 0.00 0.00 60.65 60.83 1uew s ILE 16 Cb -0.28 -0.86 -0.05 0.00 0.01 0.00 0.00 42.46 41.28 1uew s ILE 16 CO 0.33 0.31 0.54 -1.00 0.00 0.00 0.00 174.94 175.11 1uew s HIS 17 N 1.12 3.47 0.24 3.97 3.76 -1.26 -1.66 115.29 124.94 1uew s HIS 17 Ca -0.07 0.64 0.05 0.00 -0.15 0.00 0.00 55.06 55.54 1uew s HIS 17 Cb -0.14 -2.10 -0.02 0.00 1.11 0.00 0.00 32.58 31.43 1uew s HIS 17 CO -0.01 0.20 0.19 2.89 -0.85 0.00 0.00 174.74 177.16 1uew n ARG 18 N -0.80 0.33 -3.87 1.40 1.85 -0.49 -4.83 116.66 110.26 1uew n ARG 18 Ca -0.02 -2.39 -0.22 0.00 -1.00 0.00 0.00 57.85 54.22 1uew n ARG 18 Cb 0.54 1.89 -0.05 0.00 -1.05 0.00 0.00 32.46 33.78 1uew n ARG 18 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1uew s LYS 19 N -2.98 2.44 0.45 2.89 3.01 -1.26 -4.85 119.74 119.44 1uew s LYS 19 Ca 0.27 -1.59 0.27 0.00 -1.01 0.00 0.00 55.97 53.92 1uew s LYS 19 Cb 0.01 -2.24 0.81 0.00 -1.01 0.00 0.00 37.83 35.40 1uew s LYS 19 CO 0.19 -0.06 1.77 0.93 0.51 0.00 0.00 175.35 178.69 1uew h GLU 20 N 1.28 0.00 0.00 1.68 5.08 -1.99 -3.04 114.58 117.59 1uew h GLU 20 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1uew h GLU 20 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1uew h GLU 20 CO 0.62 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.72 1uew n ASN 21 N -2.98 0.00 -3.32 1.42 3.02 -1.26 -4.85 115.26 107.28 1uew n ASN 21 Ca 0.03 -0.19 -0.13 0.00 -0.03 0.00 0.00 54.58 54.25 1uew n ASN 21 Cb 0.42 -0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 39.41 1uew n ASN 21 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1uew s GLU 22 N -2.30 1.90 0.21 3.52 -1.05 -1.15 -5.19 118.70 114.64 1uew s GLU 22 Ca 0.18 -1.64 0.02 0.00 -0.15 0.00 0.00 54.97 53.38 1uew s GLU 22 Cb 0.10 0.47 0.02 0.00 -0.44 0.00 0.00 34.13 34.28 1uew s GLU 22 CO 0.20 -0.80 0.14 0.41 0.95 0.00 0.00 175.26 176.16 1uew n GLY 23 N -0.53 3.05 3.82 -3.83 0.00 -1.26 -4.75 105.19 101.69 1uew n GLY 23 Ca -0.01 -2.22 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 1uew n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uew s PHE 24 N -1.10 2.82 -0.46 1.61 0.08 -1.26 -4.79 117.98 114.87 1uew s PHE 24 Ca 0.10 1.00 0.09 0.00 0.12 0.00 0.00 56.93 58.25 1uew s PHE 24 Cb -0.01 -3.24 0.34 0.00 -0.57 0.00 0.00 43.02 39.55 1uew s PHE 24 CO 0.07 -1.87 0.82 0.41 -0.10 0.00 0.00 175.22 174.55 1uew n GLY 25 N -2.39 4.47 3.20 4.36 0.00 -1.26 -5.00 105.19 108.56 1uew n GLY 25 Ca 0.07 -2.17 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 1uew n GLY 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1uew s PHE 26 N -2.86 0.40 -0.07 1.61 -0.71 -1.26 -0.79 117.98 114.30 1uew s PHE 26 Ca 0.44 -0.83 0.00 0.00 -1.04 0.00 0.00 56.93 55.50 1uew s PHE 26 Cb 0.32 -0.19 0.02 0.00 -1.21 0.00 0.00 43.02 41.95 1uew s PHE 26 CO -0.11 -0.55 -0.05 0.08 -1.34 0.00 0.00 175.22 173.26 1uew s VAL 27 N -3.93 0.67 0.18 -2.49 1.01 0.08 -4.98 120.40 110.93 1uew s VAL 27 Ca 0.11 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 1uew s VAL 27 Cb 0.06 -0.72 -0.08 0.00 0.00 0.00 0.00 36.38 35.64 1uew s VAL 27 CO -0.06 0.28 0.76 -0.63 0.00 0.00 0.00 175.10 175.45 1uew s ILE 28 N 1.38 4.41 0.26 2.22 1.09 -1.26 -0.70 121.20 128.60 1uew s ILE 28 Ca -0.03 1.62 0.03 0.00 -1.10 0.00 0.00 60.65 61.16 1uew s ILE 28 Cb -0.13 -4.08 -0.01 0.00 -1.06 0.00 0.00 42.46 37.18 1uew s ILE 28 CO -0.03 0.46 0.10 2.30 -0.10 0.00 0.00 174.94 177.68 1uew n ILE 29 N 1.42 0.00 0.02 2.92 -5.35 0.46 -4.81 119.36 114.02 1uew n ILE 29 Ca -0.05 -1.54 -0.02 0.00 -0.27 0.00 0.00 62.75 60.87 1uew n ILE 29 Cb 0.49 0.58 -0.01 0.00 -1.74 0.00 0.00 39.64 38.96 1uew n ILE 29 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1uew n SER 30 N -1.77 1.14 -2.73 7.28 3.41 -1.26 -0.58 113.62 119.11 1uew n SER 30 Ca -0.03 0.16 -0.01 0.00 -0.26 0.00 0.00 58.87 58.73 1uew n SER 30 Cb 0.39 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1uew n SER 30 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1uew n SER 31 N -3.61 -8.00 -4.07 4.04 2.88 -1.26 -4.70 113.62 98.90 1uew n SER 31 Ca -0.04 1.29 -0.07 0.00 -1.33 0.00 0.00 58.87 58.72 1uew n SER 31 Cb 0.16 -5.34 -0.10 0.00 -0.75 0.00 0.00 64.21 58.18 1uew n SER 31 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1uew s LEU 32 N -1.79 2.40 -0.29 2.46 1.43 -1.26 -4.76 118.68 116.88 1uew s LEU 32 Ca 0.04 -0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 51.97 1uew s LEU 32 Cb -0.01 0.25 0.17 0.00 0.03 0.00 0.00 46.19 46.62 1uew s LEU 32 CO 0.78 -0.59 1.24 0.54 0.23 0.00 0.00 176.35 178.55 1uew s ASN 33 N -2.82 -0.23 0.60 2.29 4.22 -1.26 -5.16 114.94 112.59 1uew s ASN 33 Ca 0.05 0.41 0.00 0.00 -2.14 0.00 0.00 52.86 51.19 1uew s ASN 33 Cb 0.07 0.60 0.00 0.00 1.28 0.00 0.00 41.25 43.19 1uew s ASN 33 CO -0.09 -0.07 0.00 0.54 -2.04 0.00 0.00 177.10 175.44 1uew n ARG 34 N 2.23 -3.55 0.21 3.55 1.74 -1.26 -4.73 116.66 114.85 1uew n ARG 34 Ca -0.13 2.85 0.10 0.00 -0.77 0.00 0.00 57.85 59.90 1uew n ARG 34 Cb 0.57 -3.87 0.26 0.00 -1.02 0.00 0.00 32.46 28.39 1uew n ARG 34 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1uew h PRO 35 N -0.86 0.00 -3.14 5.56 0.13 -2.05 -3.50 132.00 128.14 1uew h PRO 35 Ca -0.13 0.00 0.38 0.00 -0.87 0.00 0.00 66.00 65.37 1uew h PRO 35 Cb 1.22 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.24 1uew h PRO 35 CO 0.05 0.18 -0.58 0.39 -0.23 0.00 0.00 178.00 177.81 1uew n GLU 36 N -3.18 -2.85 -3.88 0.86 -0.58 -1.26 -4.91 120.64 104.83 1uew n GLU 36 Ca 0.02 1.93 -0.26 0.00 -0.42 0.00 0.00 57.16 58.44 1uew n GLU 36 Cb 0.54 -3.47 -0.17 0.00 -0.57 0.00 0.00 31.44 27.77 1uew n GLU 36 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1uew s SER 37 N -6.95 2.10 0.00 1.62 0.01 -1.26 -5.11 113.70 104.12 1uew s SER 37 Ca 0.00 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1uew s SER 37 Cb 0.00 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1uew s SER 37 CO 0.00 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.12 1uew n GLY 38 N 4.98 0.72 3.57 3.44 0.00 -1.26 -4.87 105.19 111.77 1uew n GLY 38 Ca -0.11 -2.15 -0.40 0.00 0.00 0.00 0.00 46.02 43.36 1uew n GLY 38 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uew s SER 39 N -2.29 5.55 0.63 1.61 0.15 -1.26 -4.99 113.70 113.11 1uew s SER 39 Ca 0.00 0.59 -0.17 0.00 0.70 0.00 0.00 55.95 57.07 1uew s SER 39 Cb 0.00 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.76 1uew s SER 39 CO 0.00 -2.11 1.15 0.42 1.20 0.00 0.00 173.24 173.90 1uew s THR 40 N 8.09 2.94 -0.59 6.45 -4.23 -1.26 -5.01 115.64 122.02 1uew s THR 40 Ca 0.69 0.50 0.04 0.00 -1.18 0.00 0.00 61.69 61.74 1uew s THR 40 Cb -0.15 -3.09 0.17 0.00 1.34 0.00 0.00 72.50 70.77 1uew s THR 40 CO 0.25 -0.20 0.43 -0.63 -0.54 0.00 0.00 174.62 173.92 1uew s ILE 41 N -1.99 1.96 0.12 2.99 1.09 -1.26 -5.04 121.20 119.07 1uew s ILE 41 Ca 0.72 -3.63 -0.01 0.00 -1.10 0.00 0.00 60.65 56.63 1uew s ILE 41 Cb -0.25 -2.30 -0.04 0.00 -1.06 0.00 0.00 42.46 38.81 1uew s ILE 41 CO 0.37 -1.07 0.04 0.42 -0.10 0.00 0.00 174.94 174.59 1uew s THR 42 N -0.84 0.16 -0.02 2.92 -4.23 -1.26 -5.19 115.64 107.18 1uew s THR 42 Ca 0.27 -1.90 0.04 0.00 -1.18 0.00 0.00 61.69 58.92 1uew s THR 42 Cb -0.03 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.83 1uew s THR 42 CO -0.17 -0.54 -0.15 0.54 -0.54 0.00 0.00 174.62 173.76 1uew s VAL 43 N -4.00 1.24 -0.12 2.29 0.11 -1.26 -5.04 120.40 113.61 1uew s VAL 43 Ca 0.22 -0.65 0.29 0.00 -2.93 0.00 0.00 61.98 58.91 1uew s VAL 43 Cb 0.07 -1.05 0.37 0.00 -1.53 0.00 0.00 36.38 34.24 1uew s VAL 43 CO 0.00 0.36 1.83 1.55 -3.33 0.00 0.00 175.10 175.51 1uew h PRO 44 N 5.99 0.00 -3.67 1.54 0.13 -1.90 -3.43 132.00 130.66 1uew h PRO 44 Ca -0.34 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.34 1uew h PRO 44 Cb 1.16 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.91 1uew h PRO 44 CO 0.48 0.00 -0.77 -1.01 -0.23 0.00 0.00 178.00 176.48 1uew s HIS 45 N -3.48 0.69 0.04 1.56 3.76 -1.25 -4.15 115.29 112.46 1uew s HIS 45 Ca 0.04 -0.24 -0.00 0.00 -0.15 0.00 0.00 55.06 54.71 1uew s HIS 45 Cb 0.07 -0.82 -0.03 0.00 1.11 0.00 0.00 32.58 32.91 1uew s HIS 45 CO 0.60 -0.36 -0.03 -1.59 -0.85 0.00 0.00 174.74 172.51 1uew s LYS 46 N 1.97 0.47 0.19 1.40 -2.85 0.26 -2.98 119.74 118.19 1uew s LYS 46 Ca 0.04 -0.92 -0.31 0.00 -1.00 0.00 0.00 55.97 53.78 1uew s LYS 46 Cb -0.13 0.15 -0.10 0.00 -2.06 0.00 0.00 37.83 35.69 1uew s LYS 46 CO -0.06 -0.08 1.55 0.42 0.10 0.00 0.00 175.35 177.29 1uew s ILE 47 N -2.69 2.58 -0.07 3.79 -1.09 -1.26 -0.41 121.20 122.06 1uew s ILE 47 Ca -0.04 0.43 0.04 0.00 -2.23 0.00 0.00 60.65 58.85 1uew s ILE 47 Cb -0.01 -3.27 -0.07 0.00 -1.58 0.00 0.00 42.46 37.52 1uew s ILE 47 CO -0.05 0.04 -0.01 0.61 -1.23 0.00 0.00 174.94 174.30 1uew n GLY 48 N 3.45 -0.25 3.14 6.18 0.00 0.12 -2.67 105.19 115.16 1uew n GLY 48 Ca 0.13 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1uew n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uew s ARG 49 N -2.16 0.50 -0.09 1.61 3.52 -1.19 -4.95 118.95 116.20 1uew s ARG 49 Ca -0.05 -0.24 0.01 0.00 -0.13 0.00 0.00 55.73 55.32 1uew s ARG 49 Cb 0.02 0.22 0.02 0.00 -1.56 0.00 0.00 34.95 33.64 1uew s ARG 49 CO 0.24 -0.12 -0.13 0.42 -0.81 0.00 0.00 175.30 174.90 1uew s ILE 50 N -1.15 1.26 0.12 4.11 1.01 -1.26 -0.75 121.20 124.55 1uew s ILE 50 Ca -0.12 -0.51 -0.33 0.00 0.00 0.00 0.00 60.65 59.69 1uew s ILE 50 Cb -0.06 -1.18 -0.12 0.00 0.01 0.00 0.00 42.46 41.11 1uew s ILE 50 CO 0.02 0.39 1.74 -0.38 0.00 0.00 0.00 174.94 176.71 1uew n ILE 51 N 4.21 0.21 -1.72 2.92 -0.00 0.03 -4.90 119.36 120.12 1uew n ILE 51 Ca -0.19 -0.04 -0.42 0.00 -0.00 0.00 0.00 62.75 62.10 1uew n ILE 51 Cb 0.51 -1.87 -0.03 0.00 -0.00 0.00 0.00 39.64 38.25 1uew n ILE 51 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1uew s ASP 52 N 2.02 6.45 -0.69 4.38 -1.08 -1.26 -1.90 116.67 124.59 1uew s ASP 52 Ca 0.81 2.70 0.00 0.00 -0.52 0.00 0.00 52.55 55.54 1uew s ASP 52 Cb -0.58 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.33 1uew s ASP 52 CO 0.38 -1.02 0.00 0.61 0.52 0.00 0.00 175.17 175.67 1uew n GLY 53 N 4.34 0.52 3.83 2.66 0.00 -1.26 -5.06 105.19 110.22 1uew n GLY 53 Ca 0.18 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 1uew n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uew s SER 54 N -2.81 3.59 0.63 1.61 1.04 -0.80 -4.83 113.70 112.14 1uew s SER 54 Ca 0.00 0.78 0.35 0.00 0.48 0.00 0.00 55.95 57.56 1uew s SER 54 Cb 0.00 -1.23 1.97 0.00 0.10 0.00 0.00 66.02 66.86 1uew s SER 54 CO 0.00 -2.48 2.21 1.55 0.98 0.00 0.00 173.24 175.50 1uew h PRO 55 N -1.45 0.00 0.25 4.02 0.13 -1.88 -0.20 132.00 132.87 1uew h PRO 55 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1uew h PRO 55 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1uew h PRO 55 CO 0.58 0.00 -0.12 0.00 -0.23 0.00 0.00 178.00 178.23 1uew h ALA 56 N 1.84 -0.34 -0.38 -0.56 0.00 -1.89 -3.24 119.26 114.69 1uew h ALA 56 Ca 0.02 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1uew h ALA 56 Cb 0.23 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1uew h ALA 56 CO -0.00 -0.37 0.17 0.22 0.00 0.00 0.00 179.25 179.27 1uew h ASP 57 N -0.98 0.23 -0.42 0.00 3.58 -1.62 -0.68 116.42 116.54 1uew h ASP 57 Ca -0.03 0.03 0.12 0.00 0.42 0.00 0.00 57.03 57.56 1uew h ASP 57 Cb 0.46 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1uew h ASP 57 CO 0.06 0.17 0.37 0.08 -2.88 0.00 0.00 179.24 177.04 1uew h ARG 58 N 0.35 0.00 0.00 0.28 0.11 -1.21 -3.19 114.38 110.72 1uew h ARG 58 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 1uew h ARG 58 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 1uew h ARG 58 CO -0.13 0.00 0.00 0.00 0.10 0.00 0.00 179.97 179.94 1uew n ALA 60 N -1.67 -1.16 -0.04 0.00 0.00 -1.21 -4.74 120.51 111.68 1uew n ALA 60 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1uew n ALA 60 Cb 0.27 -3.10 0.00 0.00 0.00 0.00 0.00 19.45 16.62 1uew n ALA 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uew n LYS 61 N -4.05 3.74 -3.93 0.00 5.02 -1.26 -5.08 118.16 112.60 1uew n LYS 61 Ca 0.04 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.03 1uew n LYS 61 Cb 0.51 -0.31 -0.16 0.00 -0.02 0.00 0.00 35.03 35.05 1uew n LYS 61 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1uew s LEU 62 N 0.00 2.30 0.34 -0.35 0.20 -1.26 -5.06 118.68 114.84 1uew s LEU 62 Ca 0.00 -1.04 0.03 0.00 0.69 0.00 0.00 54.13 53.82 1uew s LEU 62 Cb 0.00 -1.11 -0.05 0.00 -0.43 0.00 0.00 46.19 44.60 1uew s LEU 62 CO 0.00 -0.22 0.08 -0.54 -0.29 0.00 0.00 176.35 175.38 1uew s LYS 63 N 1.46 1.70 -0.05 1.98 1.02 -1.26 -4.70 119.74 119.88 1uew s LYS 63 Ca -0.04 -1.97 -0.32 0.00 0.02 0.00 0.00 55.97 53.66 1uew s LYS 63 Cb -0.18 -0.73 -0.10 0.00 -0.52 0.00 0.00 37.83 36.31 1uew s LYS 63 CO -0.07 -0.28 1.96 0.28 -0.92 0.00 0.00 175.35 176.32 1uew n VAL 64 N -0.72 0.64 0.00 3.17 0.31 -1.26 -2.65 118.33 117.82 1uew n VAL 64 Ca -0.03 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1uew n VAL 64 Cb 0.66 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1uew n VAL 64 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1uew n GLY 65 N 4.64 1.52 3.58 2.92 0.00 -1.09 -4.99 105.19 111.77 1uew n GLY 65 Ca 0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 1uew n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1uew s ASP 66 N -1.28 5.09 0.16 1.61 1.01 -1.09 -4.76 116.67 117.42 1uew s ASP 66 Ca 0.00 -1.57 -0.33 0.00 0.71 0.00 0.00 52.55 51.36 1uew s ASP 66 Cb 0.00 -2.59 -0.16 0.00 1.01 0.00 0.00 42.92 41.19 1uew s ASP 66 CO 0.00 -2.99 1.18 0.54 0.21 0.00 0.00 175.17 174.11 1uew n ARG 67 N 8.36 1.16 -3.95 8.23 1.74 -1.26 -4.47 116.66 126.47 1uew n ARG 67 Ca 0.44 0.42 -0.35 0.00 -0.77 0.00 0.00 57.85 57.59 1uew n ARG 67 Cb 0.47 -1.93 -0.09 0.00 -1.02 0.00 0.00 32.46 29.89 1uew n ARG 67 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1uew s ILE 68 N -0.13 4.92 -0.09 0.55 1.01 -1.16 -2.61 121.20 123.71 1uew s ILE 68 Ca 0.74 0.01 0.05 0.00 0.00 0.00 0.00 60.65 61.46 1uew s ILE 68 Cb -0.86 -3.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.29 1uew s ILE 68 CO 0.52 0.46 -0.01 0.18 0.00 0.00 0.00 174.94 176.09 1uew n LEU 69 N 3.51 0.85 -3.87 2.97 7.99 -0.38 -4.70 117.00 123.37 1uew n LEU 69 Ca -0.16 -0.02 -0.09 0.00 -0.01 0.00 0.00 56.01 55.73 1uew n LEU 69 Cb 0.52 0.04 -0.04 0.00 -0.11 0.00 0.00 43.42 43.83 1uew n LEU 69 CO 0.36 0.34 0.27 0.00 -1.51 0.00 0.00 177.39 176.85 1uew s ALA 70 N -2.20 -0.72 -0.17 -1.18 0.00 -1.22 -3.23 121.76 113.05 1uew s ALA 70 Ca -0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 1uew s ALA 70 Cb 0.03 0.93 0.04 0.00 0.00 0.00 0.00 23.12 24.12 1uew s ALA 70 CO 0.31 -0.87 -0.04 0.54 0.00 0.00 0.00 175.76 175.69 1uew s VAL 71 N -3.94 1.06 0.00 0.00 0.11 -0.67 -1.19 120.40 115.76 1uew s VAL 71 Ca 0.15 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 1uew s VAL 71 Cb -0.02 -1.28 0.00 0.00 -1.53 0.00 0.00 36.38 33.55 1uew s VAL 71 CO 0.04 0.07 0.00 0.59 -3.33 0.00 0.00 175.10 172.47 1uew n ASN 72 N 4.88 0.00 0.00 3.54 3.02 -0.05 -1.20 115.26 125.46 1uew n ASN 72 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1uew n ASN 72 Cb 0.47 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1uew n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uew n GLY 73 N 0.00 0.00 3.78 7.41 0.00 -1.26 -4.98 105.19 110.14 1uew n GLY 73 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1uew n GLY 73 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1uew s GLN 74 N 0.00 4.20 -0.15 1.61 2.00 -0.34 -5.03 119.66 121.95 1uew s GLN 74 Ca 0.00 0.59 -0.29 0.00 -2.00 0.00 0.00 55.36 53.66 1uew s GLN 74 Cb 0.00 -3.31 -0.02 0.00 0.80 0.00 0.00 33.01 30.47 1uew s GLN 74 CO 0.00 0.45 1.36 -1.54 -0.50 0.00 0.00 175.29 175.06 1uew s SER 75 N -0.40 6.85 0.07 6.67 1.04 -1.26 -1.67 113.70 125.00 1uew s SER 75 Ca 0.28 1.77 0.19 0.00 0.48 0.00 0.00 55.95 58.67 1uew s SER 75 Cb -0.17 -2.54 -0.12 0.00 0.10 0.00 0.00 66.02 63.29 1uew s SER 75 CO 0.15 -0.84 0.81 2.30 0.98 0.00 0.00 173.24 176.65 1uew n ILE 76 N 5.49 0.99 0.08 -1.02 -6.64 -1.20 -4.06 119.36 113.00 1uew n ILE 76 Ca 0.15 -0.65 0.06 0.00 -1.77 0.00 0.00 62.75 60.53 1uew n ILE 76 Cb 0.44 -0.58 0.50 0.00 -1.44 0.00 0.00 39.64 38.56 1uew n ILE 76 CO 0.00 0.00 0.00 0.40 -1.77 0.00 0.00 176.55 175.18 1uew h ILE 77 N 0.00 1.05 -0.01 7.28 5.03 -1.91 -2.72 117.51 126.24 1uew h ILE 77 Ca -0.13 -0.12 0.00 0.00 -0.12 0.00 0.00 64.86 64.48 1uew h ILE 77 Cb 1.44 0.66 0.00 0.00 -3.03 0.00 0.00 36.82 35.89 1uew h ILE 77 CO 0.03 0.07 -0.58 0.59 -0.68 0.00 0.00 178.15 177.58 1uew n ASN 78 N -4.49 1.13 -4.82 1.72 3.02 -1.26 -4.98 115.26 105.57 1uew n ASN 78 Ca 0.02 -0.91 -0.22 0.00 -0.03 0.00 0.00 54.58 53.44 1uew n ASN 78 Cb 0.09 0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 39.70 1uew n ASN 78 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1uew s MET 79 N -2.76 2.92 0.35 3.52 -1.94 -1.03 -5.10 119.30 115.26 1uew s MET 79 Ca 0.15 -1.06 -0.28 0.00 -1.71 0.00 0.00 55.69 52.79 1uew s MET 79 Cb 0.18 -2.56 -0.10 0.00 2.01 0.00 0.00 34.83 34.36 1uew s MET 79 CO 0.67 0.40 1.30 -2.14 -0.01 0.00 0.00 175.02 175.24 1uew s PRO 80 N -3.84 4.27 0.20 2.03 0.02 -1.26 -4.92 135.00 131.50 1uew s PRO 80 Ca 0.33 2.18 -0.18 0.00 0.02 0.00 0.00 61.00 63.35 1uew s PRO 80 Cb -0.08 -2.99 0.17 0.00 0.02 0.00 0.00 34.50 31.62 1uew s PRO 80 CO 0.25 -0.25 1.60 1.25 -0.33 0.00 0.00 177.00 179.52 1uew h HIS 81 N 3.22 -0.74 0.00 6.54 2.76 -1.99 -0.60 115.15 124.33 1uew h HIS 81 Ca -0.49 0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 57.73 1uew h HIS 81 Cb 1.23 0.42 -0.00 0.00 1.55 0.00 0.00 27.41 30.61 1uew h HIS 81 CO 0.55 -0.36 -0.09 0.00 -1.30 0.00 0.00 177.93 176.74 1uew h ALA 82 N 1.22 1.57 0.08 5.26 0.00 -1.98 0.33 119.26 125.74 1uew h ALA 82 Ca 0.26 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.78 1uew h ALA 82 Cb 0.54 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1uew h ALA 82 CO -0.69 0.11 -1.67 0.22 0.00 0.00 0.00 179.25 177.23 1uew h ASP 83 N 0.00 0.26 -0.72 0.00 3.58 -1.53 -1.20 116.42 116.81 1uew h ASP 83 Ca -0.00 -0.45 -0.06 0.00 0.42 0.00 0.00 57.03 56.94 1uew h ASP 83 Cb 0.19 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1uew h ASP 83 CO 0.01 1.39 0.23 0.40 -2.88 0.00 0.00 179.24 178.39 1uew h ILE 84 N 0.05 1.26 -0.08 2.25 2.04 -1.04 0.19 117.51 122.18 1uew h ILE 84 Ca -0.29 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 64.70 1uew h ILE 84 Cb 2.01 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1uew h ILE 84 CO 0.12 0.35 -0.07 0.58 0.00 0.00 0.00 178.15 179.13 1uew h VAL 85 N 1.08 0.80 -0.59 1.67 2.07 -0.97 -1.09 116.25 119.22 1uew h VAL 85 Ca 0.24 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 1uew h VAL 85 Cb 0.30 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1uew h VAL 85 CO -0.01 0.00 0.28 0.50 0.02 0.00 0.00 177.57 178.36 1uew h LYS 86 N -0.08 0.83 -0.71 1.57 3.64 -0.44 0.55 116.57 121.93 1uew h LYS 86 Ca 0.06 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1uew h LYS 86 Cb 0.16 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1uew h LYS 86 CO -0.13 0.65 0.38 -0.07 -2.27 0.00 0.00 179.45 178.01 1uew h LEU 87 N 0.83 0.89 -0.39 5.20 -0.00 -0.49 0.18 115.31 121.53 1uew h LEU 87 Ca 0.20 -0.10 -0.09 0.00 -0.00 0.00 0.00 57.88 57.89 1uew h LEU 87 Cb 0.10 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.52 1uew h LEU 87 CO -0.03 0.74 -0.10 0.40 -0.00 0.00 0.00 178.44 179.46 1uew h ILE 88 N 0.98 1.28 -0.86 1.22 2.04 -0.56 -2.34 117.51 119.26 1uew h ILE 88 Ca 0.25 -1.18 0.05 0.00 1.00 0.00 0.00 64.86 64.98 1uew h ILE 88 Cb 0.05 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 1uew h ILE 88 CO -0.04 0.39 0.54 0.50 0.00 0.00 0.00 178.15 179.55 1uew h LYS 89 N 0.56 0.98 0.00 2.37 3.64 -0.30 -0.37 116.57 123.45 1uew h LYS 89 Ca 0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1uew h LYS 89 Cb 0.62 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1uew h LYS 89 CO 0.04 0.65 0.00 -3.47 -2.27 0.00 0.00 179.45 174.40 1uew n ASP 90 N -4.59 0.61 0.06 4.20 2.03 0.56 -1.01 116.55 118.42 1uew n ASP 90 Ca 0.12 0.70 0.12 0.00 0.52 0.00 0.00 54.79 56.25 1uew n ASP 90 Cb 0.14 -0.81 0.46 0.00 -0.72 0.00 0.00 41.12 40.19 1uew n ASP 90 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1uew n ALA 91 N -1.77 2.02 -0.98 -1.67 0.00 -0.15 -4.98 120.51 112.98 1uew n ALA 91 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1uew n ALA 91 Cb 0.15 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1uew n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uew n GLY 92 N 0.77 3.20 0.12 0.00 0.00 -0.18 -2.51 105.19 106.60 1uew n GLY 92 Ca 0.05 0.24 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 1uew n GLY 92 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uew h LEU 93 N 0.00 0.36 -8.57 0.99 3.38 -1.89 -3.46 115.31 106.13 1uew h LEU 93 Ca 0.00 -0.62 -0.65 0.00 0.09 0.00 0.00 57.88 56.70 1uew h LEU 93 Cb 0.00 -0.12 -0.24 0.00 0.09 0.00 0.00 40.66 40.39 1uew h LEU 93 CO 0.00 1.53 -0.65 -0.94 0.09 0.00 0.00 178.44 178.47 1uew s SER 94 N -6.89 4.89 0.10 -0.43 1.04 -1.04 -1.40 113.70 109.96 1uew s SER 94 Ca -0.13 -0.26 0.07 0.00 0.48 0.00 0.00 55.95 56.11 1uew s SER 94 Cb 0.07 -1.87 -0.03 0.00 0.10 0.00 0.00 66.02 64.29 1uew s SER 94 CO 0.83 -0.03 -0.18 0.54 0.98 0.00 0.00 173.24 175.37 1uew s VAL 95 N 1.56 1.52 -0.02 5.02 0.11 -0.67 -4.72 120.40 123.20 1uew s VAL 95 Ca 0.06 -1.50 0.06 0.00 -2.93 0.00 0.00 61.98 57.67 1uew s VAL 95 Cb -0.15 -1.43 -0.01 0.00 -1.53 0.00 0.00 36.38 33.26 1uew s VAL 95 CO 0.02 -0.14 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.56 1uew s THR 96 N -1.29 1.58 -0.10 5.04 2.01 -1.26 -0.52 115.64 121.10 1uew s THR 96 Ca 0.04 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.23 1uew s THR 96 Cb -0.10 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.10 1uew s THR 96 CO 0.04 0.45 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.46 1uew s LEU 97 N -0.36 1.95 -0.51 4.42 1.43 -0.85 -0.87 118.68 123.89 1uew s LEU 97 Ca 0.05 -0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 52.41 1uew s LEU 97 Cb -0.09 -1.24 0.03 0.00 0.03 0.00 0.00 46.19 44.92 1uew s LEU 97 CO 0.00 0.10 0.97 -0.60 0.23 0.00 0.00 176.35 177.06 1uew s ARG 98 N 0.55 3.45 0.43 1.70 3.52 -0.34 -1.06 118.95 127.20 1uew s ARG 98 Ca -0.15 0.01 0.07 0.00 -0.13 0.00 0.00 55.73 55.53 1uew s ARG 98 Cb -0.17 -3.99 -0.04 0.00 -1.56 0.00 0.00 34.95 29.19 1uew s ARG 98 CO 0.05 -1.40 0.19 0.96 -0.81 0.00 0.00 175.30 174.29 1uew s ILE 99 N 4.01 2.21 -0.13 4.11 -5.25 -0.86 -1.25 121.20 124.04 1uew s ILE 99 Ca 0.35 -1.70 0.02 0.00 -0.99 0.00 0.00 60.65 58.34 1uew s ILE 99 Cb -0.11 -2.90 0.01 0.00 2.95 0.00 0.00 42.46 42.41 1uew s ILE 99 CO 0.24 0.00 -0.21 -0.63 -1.79 0.00 0.00 174.94 172.55 1uew s ILE 100 N -2.62 1.92 0.88 8.37 1.01 -1.07 -0.86 121.20 128.82 1uew s ILE 100 Ca 0.39 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 1uew s ILE 100 Cb 0.03 -1.70 0.18 0.00 0.01 0.00 0.00 42.46 40.98 1uew s ILE 100 CO 0.22 0.52 1.20 -2.16 0.00 0.00 0.00 174.94 174.72 1uew s PRO 101 N 0.80 0.96 -0.10 2.79 0.04 -1.26 -4.20 135.00 134.02 1uew s PRO 101 Ca -0.08 -0.77 -0.07 0.00 0.04 0.00 0.00 61.00 60.12 1uew s PRO 101 Cb -0.16 -2.04 0.03 0.00 0.04 0.00 0.00 34.50 32.38 1uew s PRO 101 CO -0.01 -2.09 0.25 -0.65 0.04 0.00 0.00 177.00 174.55 1uew s GLN 102 N -5.61 0.26 0.00 4.56 1.11 -1.26 -5.02 119.66 113.70 1uew s GLN 102 Ca 0.72 0.43 0.00 0.00 0.01 0.00 0.00 55.36 56.52 1uew s GLN 102 Cb -0.04 0.02 0.00 0.00 -1.01 0.00 0.00 33.01 31.99 1uew s GLN 102 CO 0.50 -0.09 0.15 -0.85 0.01 0.00 0.00 175.29 175.01 1uew n GLU 103 N 3.53 3.19 0.00 2.91 0.28 -1.26 -4.83 120.64 124.46 1uew n GLU 103 Ca -0.18 -0.15 0.00 0.00 -0.16 0.00 0.00 57.16 56.66 1uew n GLU 103 Cb 0.56 -0.59 0.00 0.00 1.43 0.00 0.00 31.44 32.84 1uew n GLU 103 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1uew n GLU 104 N -0.50 0.00 -3.95 3.44 -0.58 -1.26 -5.03 120.64 112.76 1uew n GLU 104 Ca 0.00 -0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 1uew n GLU 104 Cb 0.02 -0.41 -0.14 0.00 -0.57 0.00 0.00 31.44 30.33 1uew n GLU 104 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1uew s LEU 105 N 0.00 4.32 0.00 -4.62 1.43 -1.26 -4.91 118.68 113.64 1uew s LEU 105 Ca 0.00 -3.02 0.00 0.00 -1.03 0.00 0.00 54.13 50.08 1uew s LEU 105 Cb 0.00 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.58 1uew s LEU 105 CO 0.00 -0.23 0.00 -3.20 0.23 0.00 0.00 176.35 173.15 1uew n ASN 106 N 3.11 0.00 -3.64 2.29 2.85 -1.26 -4.96 115.26 113.65 1uew n ASN 106 Ca 0.05 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.43 1uew n ASN 106 Cb 0.32 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.27 1uew n ASN 106 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1uew s SER 107 N 1.02 -0.68 0.35 1.20 0.15 -1.26 -5.08 113.70 109.41 1uew s SER 107 Ca 0.00 1.21 0.19 0.00 0.70 0.00 0.00 55.95 58.05 1uew s SER 107 Cb 0.00 1.25 0.37 0.00 -1.71 0.00 0.00 66.02 65.93 1uew s SER 107 CO 0.00 -0.20 1.59 1.55 1.20 0.00 0.00 173.24 177.37 1uew h PRO 108 N 5.38 0.00 -2.32 5.44 0.13 -2.02 -3.42 132.00 135.19 1uew h PRO 108 Ca -0.29 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.45 1uew h PRO 108 Cb 1.19 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.96 1uew h PRO 108 CO 0.11 0.36 -0.68 -1.12 -0.23 0.00 0.00 178.00 176.43 1uew s SER 109 N -6.35 2.19 -0.63 1.44 0.01 -1.26 -5.08 113.70 104.02 1uew s SER 109 Ca 0.03 -1.00 0.01 0.00 1.31 0.00 0.00 55.95 56.31 1uew s SER 109 Cb 0.08 0.25 0.16 0.00 0.21 0.00 0.00 66.02 66.72 1uew s SER 109 CO 0.70 -0.39 0.42 -0.83 0.41 0.00 0.00 173.24 173.55 1uew s GLY 110 N 2.19 2.63 0.21 3.44 0.00 -1.26 -5.10 107.32 109.43 1uew s GLY 110 Ca 0.10 -3.44 -0.30 0.00 0.00 0.00 0.00 44.72 41.08 1uew s GLY 110 CO -0.31 1.07 1.16 2.56 0.00 0.00 0.00 173.10 177.58 1uew s PRO 111 N -0.55 4.54 0.16 2.90 0.04 -1.26 -5.06 135.00 135.77 1uew s PRO 111 Ca 0.20 1.84 0.07 0.00 0.04 0.00 0.00 61.00 63.14 1uew s PRO 111 Cb -0.18 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1uew s PRO 111 CO -0.05 0.01 -0.15 0.45 0.04 0.00 0.00 177.00 177.30 1uew s SER 112 N -0.17 2.29 0.36 6.66 0.15 -1.26 -5.16 113.70 116.57 1uew s SER 112 Ca 0.50 -0.91 -0.17 0.00 0.70 0.00 0.00 55.95 56.07 1uew s SER 112 Cb -0.32 -0.10 0.05 0.00 -1.71 0.00 0.00 66.02 63.94 1uew s SER 112 CO 0.38 -0.15 0.77 -0.55 1.20 0.00 0.00 173.24 174.89 1uew s SER 113 N -2.85 -0.06 0.00 5.45 0.15 -1.26 -5.35 113.70 109.79 1uew s SER 113 Ca 0.15 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1uew s SER 113 Cb -0.03 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.10 1uew s SER 113 CO 0.05 -1.61 0.00 0.61 1.20 0.00 0.00 173.24 173.49