#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujd s SER 2 N 0.00 2.06 -0.16 1.61 0.01 -1.26 -4.99 113.70 110.97 1ujd s SER 2 Ca 0.00 -1.08 -0.03 0.00 1.31 0.00 0.00 55.95 56.14 1ujd s SER 2 Cb 0.00 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.20 1ujd s SER 2 CO 0.00 -0.34 0.06 -0.24 0.41 0.00 0.00 173.24 173.13 1ujd n SER 3 N -0.33 -3.85 0.00 2.44 2.88 -1.26 -5.09 113.62 108.42 1ujd n SER 3 Ca -0.08 0.87 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 1ujd n SER 3 Cb 0.62 -3.69 0.00 0.00 -0.75 0.00 0.00 64.21 60.39 1ujd n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujd n GLY 4 N 0.68 2.03 3.18 0.46 0.00 -1.26 -5.17 105.19 105.11 1ujd n GLY 4 Ca -0.11 0.35 0.05 0.00 0.00 0.00 0.00 46.02 46.31 1ujd n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujd s SER 5 N 0.00 -0.26 -0.17 1.61 0.01 -1.26 -5.15 113.70 108.49 1ujd s SER 5 Ca 0.00 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.47 1ujd s SER 5 Cb 0.00 1.23 0.04 0.00 0.21 0.00 0.00 66.02 67.50 1ujd s SER 5 CO 0.00 -0.05 -0.09 -0.44 0.41 0.00 0.00 173.24 173.08 1ujd s SER 6 N 2.75 2.95 0.08 2.44 0.01 -1.26 -5.10 113.70 115.58 1ujd s SER 6 Ca -0.04 -0.68 -0.37 0.00 1.31 0.00 0.00 55.95 56.17 1ujd s SER 6 Cb -0.07 -1.06 -0.17 0.00 0.21 0.00 0.00 66.02 64.93 1ujd s SER 6 CO -0.11 -0.15 1.26 0.61 0.41 0.00 0.00 173.24 175.26 1ujd n GLY 7 N 4.80 0.25 3.14 3.44 0.00 -1.26 -4.95 105.19 110.61 1ujd n GLY 7 Ca -0.14 0.69 -0.32 0.00 0.00 0.00 0.00 46.02 46.25 1ujd n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ujd s HIS 8 N 0.29 2.55 1.49 1.61 2.46 -1.26 -5.12 115.29 117.31 1ujd s HIS 8 Ca 0.84 -1.32 -0.25 0.00 0.47 0.00 0.00 55.06 54.80 1ujd s HIS 8 Cb -0.99 -1.76 0.39 0.00 -0.13 0.00 0.00 32.58 30.09 1ujd s HIS 8 CO 0.49 -0.63 0.88 0.66 -2.47 0.00 0.00 174.74 173.68 1ujd n TYR 9 N 4.21 -3.84 0.92 3.88 4.01 -1.26 -4.92 117.16 120.17 1ujd n TYR 9 Ca -0.20 -0.83 0.12 0.00 -0.16 0.00 0.00 57.90 56.83 1ujd n TYR 9 Cb 0.51 -1.27 0.24 0.00 -0.31 0.00 0.00 39.34 38.51 1ujd n TYR 9 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 1ujd n ILE 10 N -5.88 0.06 -4.47 -0.72 -0.00 -1.26 -4.90 119.36 102.19 1ujd n ILE 10 Ca 0.14 -0.05 -0.25 0.00 -0.00 0.00 0.00 62.75 62.59 1ujd n ILE 10 Cb 0.61 0.17 -0.10 0.00 -0.00 0.00 0.00 39.64 40.32 1ujd n ILE 10 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 1ujd s PHE 11 N -3.03 2.39 -0.17 4.28 -0.12 -1.26 -5.10 117.98 114.98 1ujd s PHE 11 Ca 0.10 -0.40 -0.29 0.00 -0.05 0.00 0.00 56.93 56.29 1ujd s PHE 11 Cb 0.17 -1.21 -0.01 0.00 -0.63 0.00 0.00 43.02 41.33 1ujd s PHE 11 CO 0.70 0.63 1.28 -1.25 -0.05 0.00 0.00 175.22 176.54 1ujd s PRO 12 N -3.58 4.22 0.14 1.99 0.04 -1.26 -5.00 135.00 131.55 1ujd s PRO 12 Ca 0.32 1.67 -0.00 0.00 0.04 0.00 0.00 61.00 63.02 1ujd s PRO 12 Cb -0.02 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 1ujd s PRO 12 CO 0.16 -0.73 0.05 -3.38 0.04 0.00 0.00 177.00 173.14 1ujd s HIS 13 N 3.56 0.96 0.10 0.56 -3.43 -1.26 -0.37 115.29 115.40 1ujd s HIS 13 Ca 0.55 -1.19 0.09 0.00 -0.80 0.00 0.00 55.06 53.71 1ujd s HIS 13 Cb -0.22 -0.54 -0.03 0.00 -1.43 0.00 0.00 32.58 30.36 1ujd s HIS 13 CO 0.15 -0.45 -0.22 0.00 -2.00 0.00 0.00 174.74 172.22 1ujd s ALA 14 N -3.96 1.91 -0.50 -1.38 0.00 -0.26 -4.77 121.76 112.79 1ujd s ALA 14 Ca 0.25 -1.26 0.03 0.00 0.00 0.00 0.00 51.96 50.98 1ujd s ALA 14 Cb 0.07 -0.29 0.15 0.00 0.00 0.00 0.00 23.12 23.06 1ujd s ALA 14 CO 0.03 0.40 0.33 1.03 0.00 0.00 0.00 175.76 177.55 1ujd s ARG 15 N -1.83 1.48 0.14 0.00 0.52 -1.26 -2.43 118.95 115.56 1ujd s ARG 15 Ca 0.08 -2.36 0.04 0.00 -0.52 0.00 0.00 55.73 52.97 1ujd s ARG 15 Cb -0.10 -2.36 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 1ujd s ARG 15 CO 0.04 -1.25 0.15 0.42 0.02 0.00 0.00 175.30 174.68 1ujd s ILE 16 N -0.17 4.65 0.27 1.52 1.09 -1.18 -4.97 121.20 122.41 1ujd s ILE 16 Ca 0.23 -0.95 0.10 0.00 -1.10 0.00 0.00 60.65 58.93 1ujd s ILE 16 Cb -0.12 -3.35 -0.04 0.00 -1.06 0.00 0.00 42.46 37.88 1ujd s ILE 16 CO -0.09 -0.06 -0.01 -1.59 -0.10 0.00 0.00 174.94 173.09 1ujd s LYS 17 N -2.99 2.26 -0.24 2.79 -2.85 -1.26 -2.20 119.74 115.26 1ujd s LYS 17 Ca 0.31 -1.45 -0.01 0.00 -1.00 0.00 0.00 55.97 53.82 1ujd s LYS 17 Cb -0.11 -2.13 0.03 0.00 -2.06 0.00 0.00 37.83 33.56 1ujd s LYS 17 CO 0.24 0.35 -0.09 0.42 0.10 0.00 0.00 175.35 176.37 1ujd s ILE 18 N -2.34 2.71 0.06 3.79 1.01 0.99 -4.92 121.20 122.49 1ujd s ILE 18 Ca 0.32 -1.05 -0.25 0.00 0.00 0.00 0.00 60.65 59.67 1ujd s ILE 18 Cb -0.06 -2.36 -0.06 0.00 0.01 0.00 0.00 42.46 39.99 1ujd s ILE 18 CO 0.20 0.24 0.75 0.42 0.00 0.00 0.00 174.94 176.54 1ujd s THR 19 N 1.30 4.70 -0.74 2.92 -4.23 -1.26 -1.65 115.64 116.68 1ujd s THR 19 Ca 0.00 1.60 -0.26 0.00 -1.18 0.00 0.00 61.69 61.85 1ujd s THR 19 Cb -0.16 -4.10 0.01 0.00 1.34 0.00 0.00 72.50 69.59 1ujd s THR 19 CO -0.06 0.39 1.55 -0.60 -0.54 0.00 0.00 174.62 175.37 1ujd s ARG 20 N -0.22 2.99 -0.88 3.99 6.06 -1.26 -3.97 118.95 125.66 1ujd s ARG 20 Ca 0.37 -0.05 -0.05 0.00 -2.50 0.00 0.00 55.73 53.50 1ujd s ARG 20 Cb -0.21 -4.46 -0.00 0.00 0.06 0.00 0.00 34.95 30.34 1ujd s ARG 20 CO 0.23 -2.46 0.69 -3.47 -2.50 0.00 0.00 175.30 167.79 1ujd n ASP 21 N 10.87 -6.11 0.00 -2.12 -0.08 -1.26 -2.85 116.55 115.00 1ujd n ASP 21 Ca 0.15 -0.64 0.00 0.00 -1.51 0.00 0.00 54.79 52.79 1ujd n ASP 21 Cb 0.50 -3.51 0.00 0.00 2.34 0.00 0.00 41.12 40.45 1ujd n ASP 21 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1ujd n SER 22 N -2.33 0.00 0.00 1.67 2.88 -1.25 -3.47 113.62 111.12 1ujd n SER 22 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1ujd n SER 22 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 1ujd n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ujd n LYS 23 N 0.00 0.00 0.00 -1.46 5.02 -1.13 -4.83 118.16 115.76 1ujd n LYS 23 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ujd n LYS 23 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1ujd n LYS 23 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1ujd n ASP 24 N 0.00 0.00 0.00 4.39 5.68 -1.18 -5.09 116.55 120.35 1ujd n ASP 24 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1ujd n ASP 24 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1ujd n ASP 24 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 1ujd n HIS 25 N -0.23 0.00 -3.65 2.11 8.25 -1.26 -4.69 115.22 115.75 1ujd n HIS 25 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1ujd n HIS 25 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1ujd n HIS 25 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ujd s THR 26 N -2.00 -0.00 0.23 1.59 2.01 -1.26 -5.10 115.64 111.11 1ujd s THR 26 Ca 0.00 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1ujd s THR 26 Cb 0.00 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.59 1ujd s THR 26 CO 0.00 0.01 0.00 0.52 -0.69 0.00 0.00 174.62 174.46 1ujd n VAL 27 N 4.12-11.37 -1.70 3.82 0.31 -1.26 -4.95 118.33 107.30 1ujd n VAL 27 Ca -0.20 3.07 0.00 0.00 -0.01 0.00 0.00 64.34 67.21 1ujd n VAL 27 Cb 0.58 -4.92 0.00 0.00 -0.91 0.00 0.00 33.84 28.59 1ujd n VAL 27 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1ujd n SER 28 N 1.51 -8.23 0.00 4.52 7.64 -1.26 -5.07 113.62 112.73 1ujd n SER 28 Ca 0.00 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1ujd n SER 28 Cb 0.00 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 58.89 1ujd n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 29 N 0.89 -1.97 2.77 0.23 0.00 -1.26 -5.08 105.19 100.77 1ujd n GLY 29 Ca 0.00 0.93 -0.17 0.00 0.00 0.00 0.00 46.02 46.78 1ujd n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ujd s ASN 30 N 0.00 1.30 0.00 1.61 -0.87 -1.26 -4.52 114.94 111.20 1ujd s ASN 30 Ca 0.00 -0.26 0.00 0.00 -1.57 0.00 0.00 52.86 51.03 1ujd s ASN 30 Cb 0.00 0.50 0.00 0.00 -0.02 0.00 0.00 41.25 41.73 1ujd s ASN 30 CO 0.00 -0.33 0.00 0.61 -2.57 0.00 0.00 177.10 174.81 1ujd n GLY 31 N 5.32 -0.84 5.00 0.66 0.00 -1.26 -4.96 105.19 109.12 1ujd n GLY 31 Ca -0.05 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1ujd n GLY 31 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ujd n LEU 32 N 0.00 0.00 0.00 0.99 4.77 -1.26 -3.99 117.00 117.51 1ujd n LEU 32 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ujd n LEU 32 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ujd n LEU 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1ujd n GLY 33 N 0.00 0.36 3.39 -0.72 0.00 -1.26 -3.04 105.19 103.92 1ujd n GLY 33 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 1ujd n GLY 33 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1ujd s ILE 34 N 0.00 -0.01 -0.23 -0.61 2.07 -1.26 -3.86 121.20 117.30 1ujd s ILE 34 Ca 0.00 0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.31 1ujd s ILE 34 Cb 0.00 -0.72 0.05 0.00 0.13 0.00 0.00 42.46 41.92 1ujd s ILE 34 CO 0.00 0.02 -0.12 -0.13 -1.91 0.00 0.00 174.94 172.80 1ujd s ARG 35 N 1.14 2.25 -0.05 3.50 1.81 -0.82 -5.03 118.95 121.75 1ujd s ARG 35 Ca -0.07 -1.09 0.03 0.00 -1.72 0.00 0.00 55.73 52.88 1ujd s ARG 35 Cb -0.06 -2.68 0.00 0.00 -0.45 0.00 0.00 34.95 31.76 1ujd s ARG 35 CO -0.11 -0.48 -0.14 0.42 -0.68 0.00 0.00 175.30 174.31 1ujd s ILE 36 N 1.24 1.25 -0.29 1.52 1.01 -1.26 0.19 121.20 124.86 1ujd s ILE 36 Ca -0.04 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 1ujd s ILE 36 Cb -0.18 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 1ujd s ILE 36 CO -0.07 0.37 0.12 -0.69 0.00 0.00 0.00 174.94 174.67 1ujd s VAL 37 N 0.25 4.45 0.51 2.92 1.01 -0.85 -4.64 120.40 124.05 1ujd s VAL 37 Ca -0.07 -0.35 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1ujd s VAL 37 Cb -0.12 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.06 1ujd s VAL 37 CO 0.03 0.16 0.75 -0.83 0.00 0.00 0.00 175.10 175.20 1ujd s GLY 38 N 1.60 1.66 -0.02 4.51 0.00 -1.26 -2.70 107.32 111.11 1ujd s GLY 38 Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1ujd s GLY 38 CO 0.05 -0.87 0.00 0.61 0.00 0.00 0.00 173.10 172.89 1ujd n GLY 39 N -2.26 0.43 3.83 0.20 0.00 -0.49 -2.25 105.19 104.66 1ujd n GLY 39 Ca 0.04 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1ujd n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ujd s LYS 40 N -0.42 4.10 0.12 1.61 2.47 -0.23 -4.69 119.74 122.69 1ujd s LYS 40 Ca 0.00 0.68 -0.30 0.00 -1.56 0.00 0.00 55.97 54.79 1ujd s LYS 40 Cb 0.00 -2.80 -0.06 0.00 -1.46 0.00 0.00 37.83 33.51 1ujd s LYS 40 CO 0.00 0.37 1.14 -2.00 0.16 0.00 0.00 175.35 175.02 1ujd s GLU 41 N -2.21 4.51 0.09 4.03 2.12 -1.26 0.08 118.70 126.07 1ujd s GLU 41 Ca 0.44 1.73 -0.19 0.00 0.36 0.00 0.00 54.97 57.30 1ujd s GLU 41 Cb -0.15 -3.32 -0.07 0.00 0.26 0.00 0.00 34.13 30.86 1ujd s GLU 41 CO 0.20 -0.09 0.59 0.42 -0.54 0.00 0.00 175.26 175.84 1ujd s ILE 42 N 0.42 4.71 -0.05 -3.70 1.01 -0.73 -4.91 121.20 117.96 1ujd s ILE 42 Ca 0.54 1.22 -0.07 0.00 0.00 0.00 0.00 60.65 62.34 1ujd s ILE 42 Cb -0.29 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1ujd s ILE 42 CO 0.32 0.51 0.36 1.55 0.00 0.00 0.00 174.94 177.68 1ujd h PRO 43 N 4.39 -0.25 -0.09 2.79 0.13 -1.91 -3.38 132.00 133.69 1ujd h PRO 43 Ca -0.49 0.02 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1ujd h PRO 43 Cb 1.21 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1ujd h PRO 43 CO 0.64 -0.17 -0.07 0.78 -0.23 0.00 0.00 178.00 178.96 1ujd h GLY 44 N -0.83 -2.27 -1.99 1.56 0.00 -1.95 -3.41 103.07 94.18 1ujd h GLY 44 Ca -0.03 1.02 -0.49 0.00 0.00 0.00 0.00 47.33 47.83 1ujd h GLY 44 CO 0.04 -0.83 -1.92 1.42 0.00 0.00 0.00 176.54 175.25 1ujd n HIS 45 N -3.16 -1.94 -0.06 5.60 8.25 -1.26 -4.93 115.22 117.72 1ujd n HIS 45 Ca -0.00 0.37 -0.17 0.00 -0.26 0.00 0.00 57.72 57.66 1ujd n HIS 45 Cb 0.03 -1.48 -0.13 0.00 1.12 0.00 0.00 29.99 29.54 1ujd n HIS 45 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ujd h SER 46 N -1.38 0.06 -0.81 0.41 0.87 -1.85 -3.46 113.55 107.39 1ujd h SER 46 Ca -0.45 -0.88 -0.00 0.00 -1.23 0.00 0.00 61.79 59.24 1ujd h SER 46 Cb 1.36 -0.02 -0.19 0.00 -0.44 0.00 0.00 62.40 63.11 1ujd h SER 46 CO 0.28 1.18 -0.35 -0.83 -0.53 0.00 0.00 176.83 176.57 1ujd s GLY 47 N -4.43 -1.31 -0.09 5.77 0.00 -1.26 -5.06 107.32 100.95 1ujd s GLY 47 Ca -0.21 0.61 -0.28 0.00 0.00 0.00 0.00 44.72 44.84 1ujd s GLY 47 CO 0.68 3.82 0.65 1.85 0.00 0.00 0.00 173.10 180.11 1ujd s GLU 48 N 2.03 0.98 0.09 2.90 2.56 -1.26 -5.08 118.70 120.91 1ujd s GLU 48 Ca 0.15 0.36 -0.03 0.00 0.00 0.00 0.00 54.97 55.46 1ujd s GLU 48 Cb -0.03 0.46 -0.05 0.00 2.00 0.00 0.00 34.13 36.51 1ujd s GLU 48 CO -0.11 -0.27 0.29 0.96 -0.56 0.00 0.00 175.26 175.56 1ujd s ILE 49 N -0.90 5.28 0.00 -3.70 -4.36 -1.26 -1.78 121.20 114.48 1ujd s ILE 49 Ca -0.09 -0.16 0.00 0.00 -0.26 0.00 0.00 60.65 60.14 1ujd s ILE 49 Cb -0.01 -3.62 0.00 0.00 1.25 0.00 0.00 42.46 40.07 1ujd s ILE 49 CO 0.08 0.11 0.00 0.61 0.24 0.00 0.00 174.94 175.98 1ujd n GLY 50 N 0.25 2.06 3.43 6.27 0.00 0.11 -1.57 105.19 115.73 1ujd n GLY 50 Ca -0.04 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 1ujd n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujd s ALA 51 N -1.00 2.51 -0.11 4.61 0.00 -1.26 -1.07 121.76 125.44 1ujd s ALA 51 Ca 0.00 -1.48 -0.16 0.00 0.00 0.00 0.00 51.96 50.32 1ujd s ALA 51 Cb 0.00 -0.44 0.04 0.00 0.00 0.00 0.00 23.12 22.71 1ujd s ALA 51 CO 0.00 0.52 0.40 1.52 0.00 0.00 0.00 175.76 178.21 1ujd s TYR 52 N -1.25 -0.39 -0.01 0.00 1.13 -1.10 0.73 117.35 116.47 1ujd s TYR 52 Ca 0.17 0.87 -0.32 0.00 -1.41 0.00 0.00 57.07 56.38 1ujd s TYR 52 Cb -0.10 0.16 -0.10 0.00 -1.10 0.00 0.00 41.96 40.82 1ujd s TYR 52 CO 0.08 -0.29 1.94 -0.89 -2.51 0.00 0.00 175.55 173.88 1ujd n ILE 53 N 2.27 0.71 -0.10 -3.49 5.41 0.10 -2.01 119.36 122.24 1ujd n ILE 53 Ca -0.16 -0.13 -0.19 0.00 1.00 0.00 0.00 62.75 63.28 1ujd n ILE 53 Cb 0.57 -2.16 -0.09 0.00 -0.71 0.00 0.00 39.64 37.25 1ujd n ILE 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ujd n ALA 54 N 7.22 0.75 -2.94 -1.39 0.00 0.50 -1.32 120.51 123.34 1ujd n ALA 54 Ca 0.21 -0.53 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 1ujd n ALA 54 Cb 0.37 -0.38 -0.13 0.00 0.00 0.00 0.00 19.45 19.31 1ujd n ALA 54 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ujd s LYS 55 N -2.36 0.08 -0.26 0.00 2.47 -1.12 -4.69 119.74 113.86 1ujd s LYS 55 Ca -0.27 0.05 -0.02 0.00 -1.56 0.00 0.00 55.97 54.17 1ujd s LYS 55 Cb 0.06 0.04 0.02 0.00 -1.46 0.00 0.00 37.83 36.49 1ujd s LYS 55 CO 0.50 -0.01 -0.04 0.42 0.16 0.00 0.00 175.35 176.39 1ujd s ILE 56 N -0.04 3.05 0.87 5.43 1.01 -1.26 -1.95 121.20 128.32 1ujd s ILE 56 Ca -0.01 -1.00 -0.17 0.00 0.00 0.00 0.00 60.65 59.48 1ujd s ILE 56 Cb -0.01 -2.57 -0.14 0.00 0.01 0.00 0.00 42.46 39.75 1ujd s ILE 56 CO 0.00 0.16 -0.58 0.18 0.00 0.00 0.00 174.94 174.70 1ujd n LEU 57 N 4.70 -5.15 -4.60 2.97 4.77 -1.25 -4.75 117.00 113.68 1ujd n LEU 57 Ca -0.16 0.31 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 1ujd n LEU 57 Cb 0.47 -0.81 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1ujd n LEU 57 CO 0.27 -5.61 1.25 -2.16 -1.33 0.00 0.00 177.39 169.81 1ujd s PRO 58 N -1.82 3.51 -1.89 3.23 0.04 -1.26 -3.20 135.00 133.61 1ujd s PRO 58 Ca 0.45 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1ujd s PRO 58 Cb -0.26 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1ujd s PRO 58 CO 0.78 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1ujd n GLY 59 N 5.13 1.39 0.00 0.56 0.00 -1.26 -4.94 105.19 106.07 1ujd n GLY 59 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ujd n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ujd n GLY 60 N -0.44 -3.23 0.17 -0.02 0.00 -1.19 -4.35 105.19 96.13 1ujd n GLY 60 Ca -0.19 -1.09 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 1ujd n GLY 60 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ujd h SER 61 N 0.00 0.81 0.20 1.61 0.02 -1.76 -0.68 113.55 113.75 1ujd h SER 61 Ca 0.00 -0.81 -0.16 0.00 -0.84 0.00 0.00 61.79 59.98 1ujd h SER 61 Cb 0.00 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1ujd h SER 61 CO 0.00 1.52 -0.62 0.00 -1.14 0.00 0.00 176.83 176.59 1ujd h ALA 62 N 0.30 0.72 -0.01 3.77 0.00 -1.81 -2.96 119.26 119.27 1ujd h ALA 62 Ca -0.16 -0.55 -0.15 0.00 0.00 0.00 0.00 54.91 54.05 1ujd h ALA 62 Cb 1.76 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1ujd h ALA 62 CO 0.21 0.72 -0.70 1.49 0.00 0.00 0.00 179.25 180.97 1ujd h GLU 63 N 0.30 0.04 -0.29 0.00 4.81 -1.80 -3.23 114.58 114.40 1ujd h GLU 63 Ca -0.01 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1ujd h GLU 63 Cb 1.16 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.48 1ujd h GLU 63 CO 0.11 0.72 -0.15 1.96 -0.73 0.00 0.00 179.01 180.92 1ujd h GLN 64 N 0.03 -0.11 -0.57 1.92 4.20 -0.94 -1.86 115.11 117.78 1ujd h GLN 64 Ca -0.01 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.81 1ujd h GLN 64 Cb 1.24 0.03 -0.11 0.00 0.30 0.00 0.00 27.48 28.93 1ujd h GLN 64 CO 0.09 -0.07 -0.30 1.79 -0.67 0.00 0.00 178.83 179.67 1ujd h THR 65 N -0.11 0.22 0.00 -0.54 1.35 -1.58 -3.45 112.91 108.79 1ujd h THR 65 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.01 1ujd h THR 65 Cb 0.35 0.22 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1ujd h THR 65 CO -0.37 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.51 1ujd n GLY 66 N -1.43 2.69 0.03 5.82 0.00 -0.70 -4.77 105.19 106.82 1ujd n GLY 66 Ca 0.04 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1ujd n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ujd n LYS 67 N 0.00 0.03 -3.35 1.61 4.76 -1.26 -4.68 118.16 115.28 1ujd n LYS 67 Ca 0.00 0.33 -0.21 0.00 -2.87 0.00 0.00 58.31 55.56 1ujd n LYS 67 Cb 0.00 -1.57 -0.00 0.00 -1.84 0.00 0.00 35.03 31.62 1ujd n LYS 67 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ujd s LEU 68 N -3.28 3.90 -0.17 -0.35 2.01 -1.26 -5.08 118.68 114.46 1ujd s LEU 68 Ca 0.05 0.06 -0.31 0.00 0.01 0.00 0.00 54.13 53.94 1ujd s LEU 68 Cb 0.08 -2.95 0.14 0.00 0.01 0.00 0.00 46.19 43.47 1ujd s LEU 68 CO 0.24 -0.48 1.11 -0.04 1.01 0.00 0.00 176.35 178.19 1ujd s MET 69 N -4.30 0.44 0.77 1.70 -1.94 -1.26 -4.98 119.30 109.74 1ujd s MET 69 Ca 0.45 -0.02 -0.12 0.00 -1.71 0.00 0.00 55.69 54.28 1ujd s MET 69 Cb -0.10 0.21 0.06 0.00 2.01 0.00 0.00 34.83 37.01 1ujd s MET 69 CO 0.34 -0.16 1.13 -1.21 -0.01 0.00 0.00 175.02 175.10 1ujd s GLU 70 N -1.76 2.07 0.00 2.03 2.02 -1.26 -3.06 118.70 118.75 1ujd s GLU 70 Ca 0.04 1.40 0.00 0.00 0.02 0.00 0.00 54.97 56.44 1ujd s GLU 70 Cb -0.01 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.36 1ujd s GLU 70 CO -0.04 -1.81 0.00 0.41 0.02 0.00 0.00 175.26 173.84 1ujd n GLY 71 N -0.47 1.86 3.76 -1.39 0.00 -0.44 -4.91 105.19 103.60 1ujd n GLY 71 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1ujd n GLY 71 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ujd s MET 72 N -0.19 4.75 -0.34 1.61 -1.94 -1.17 -0.13 119.30 121.88 1ujd s MET 72 Ca 0.00 1.58 -0.20 0.00 -1.71 0.00 0.00 55.69 55.36 1ujd s MET 72 Cb 0.00 -3.19 -0.00 0.00 2.01 0.00 0.00 34.83 33.65 1ujd s MET 72 CO 0.00 0.38 0.59 -1.14 -0.01 0.00 0.00 175.02 174.85 1ujd s GLN 73 N -1.38 3.72 -0.41 2.03 0.74 -1.26 0.03 119.66 123.13 1ujd s GLN 73 Ca 0.43 0.04 -0.29 0.00 0.05 0.00 0.00 55.36 55.60 1ujd s GLN 73 Cb -0.27 -3.79 0.01 0.00 1.10 0.00 0.00 33.01 30.06 1ujd s GLN 73 CO 0.34 -0.67 1.39 0.08 -0.55 0.00 0.00 175.29 175.89 1ujd s VAL 74 N 2.58 3.93 -0.07 1.34 1.01 0.22 -2.96 120.40 126.46 1ujd s VAL 74 Ca 0.23 0.96 -0.12 0.00 0.00 0.00 0.00 61.98 63.05 1ujd s VAL 74 Cb -0.15 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 31.92 1ujd s VAL 74 CO 0.14 -0.75 0.46 -0.07 0.00 0.00 0.00 175.10 174.87 1ujd h LEU 75 N 12.06 -0.19 -8.26 3.92 3.38 0.17 -3.36 115.31 123.04 1ujd h LEU 75 Ca -0.27 -0.16 -0.21 0.00 0.09 0.00 0.00 57.88 57.33 1ujd h LEU 75 Cb 1.10 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 41.73 1ujd h LEU 75 CO 1.09 0.35 -0.70 -1.61 0.09 0.00 0.00 178.44 177.65 1ujd s GLU 76 N -2.59 0.63 -0.16 1.13 2.02 -0.98 -2.42 118.70 116.34 1ujd s GLU 76 Ca -0.07 -1.06 -0.03 0.00 0.02 0.00 0.00 54.97 53.83 1ujd s GLU 76 Cb 0.00 -0.10 0.05 0.00 0.10 0.00 0.00 34.13 34.18 1ujd s GLU 76 CO 0.24 -0.02 0.05 -0.46 0.02 0.00 0.00 175.26 175.09 1ujd s TRP 77 N -2.79 0.67 -1.48 1.61 -0.11 0.91 0.14 118.94 117.90 1ujd s TRP 77 Ca 0.01 -0.52 -0.06 0.00 1.22 0.00 0.00 56.10 56.75 1ujd s TRP 77 Cb -0.00 -0.86 0.02 0.00 -1.50 0.00 0.00 33.47 31.13 1ujd s TRP 77 CO -0.04 -0.51 0.54 0.09 -4.62 0.00 0.00 176.95 172.41 1ujd n ASN 78 N 5.15 -5.44 0.00 5.86 3.02 0.24 -1.43 115.26 122.66 1ujd n ASN 78 Ca -0.08 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 1ujd n ASN 78 Cb 0.48 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 1ujd n ASN 78 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ujd n GLY 79 N -1.40 2.35 3.66 7.41 0.00 -1.26 -4.99 105.19 110.97 1ujd n GLY 79 Ca -0.09 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 1ujd n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ujd s ILE 80 N -0.24 3.05 0.33 -0.61 1.09 -0.51 -4.93 121.20 119.38 1ujd s ILE 80 Ca 0.00 0.06 -0.27 0.00 -1.10 0.00 0.00 60.65 59.34 1ujd s ILE 80 Cb 0.00 -3.04 -0.09 0.00 -1.06 0.00 0.00 42.46 38.27 1ujd s ILE 80 CO 0.00 -0.01 1.07 -2.16 -0.10 0.00 0.00 174.94 173.74 1ujd s PRO 81 N 4.55 4.45 0.00 2.79 0.04 -1.26 -0.06 135.00 145.51 1ujd s PRO 81 Ca 0.88 1.67 0.22 0.00 0.04 0.00 0.00 61.00 63.81 1ujd s PRO 81 Cb -0.42 -2.93 -0.22 0.00 0.04 0.00 0.00 34.50 30.98 1ujd s PRO 81 CO 0.41 0.08 0.75 1.28 0.04 0.00 0.00 177.00 179.56 1ujd n LEU 82 N 0.68 0.51 -4.70 -3.56 4.77 -1.01 -4.89 117.00 108.80 1ujd n LEU 82 Ca 0.01 -0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.38 1ujd n LEU 82 Cb 0.47 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 1ujd n LEU 82 CO 0.50 0.10 1.12 -0.89 -1.33 0.00 0.00 177.39 176.89 1ujd s THR 83 N -3.26 3.43 0.00 -5.08 2.01 -1.25 -2.48 115.64 109.01 1ujd s THR 83 Ca 0.00 0.94 0.00 0.00 0.31 0.00 0.00 61.69 62.94 1ujd s THR 83 Cb 0.15 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 69.05 1ujd s THR 83 CO 0.87 0.03 0.00 -0.24 -0.69 0.00 0.00 174.62 174.59 1ujd n SER 84 N 4.76 -1.15 -3.04 3.53 2.88 -0.61 -5.00 113.62 114.98 1ujd n SER 84 Ca 0.13 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.52 1ujd n SER 84 Cb 0.43 -0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 63.38 1ujd n SER 84 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ujd n LYS 85 N -0.88 1.10 -4.41 -1.46 4.76 -1.04 -5.08 118.16 111.14 1ujd n LYS 85 Ca 0.00 -1.81 -0.24 0.00 -2.87 0.00 0.00 58.31 53.39 1ujd n LYS 85 Cb 0.47 0.70 -0.11 0.00 -1.84 0.00 0.00 35.03 34.26 1ujd n LYS 85 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ujd s THR 86 N -2.10 2.22 0.10 -0.18 -4.23 -1.26 -3.20 115.64 106.98 1ujd s THR 86 Ca 0.05 -2.12 -0.19 0.00 -1.18 0.00 0.00 61.69 58.24 1ujd s THR 86 Cb 0.00 -2.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 1ujd s THR 86 CO 0.03 -0.28 1.29 0.00 -0.54 0.00 0.00 174.62 175.13 1ujd n TYR 87 N -0.02 -0.27 -0.05 3.99 4.19 -0.95 -0.65 117.16 123.40 1ujd n TYR 87 Ca -0.10 0.77 -0.05 0.00 3.31 0.00 0.00 57.90 61.83 1ujd n TYR 87 Cb 0.58 -0.54 -0.04 0.00 0.49 0.00 0.00 39.34 39.83 1ujd n TYR 87 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 1ujd h GLU 88 N 0.00 -0.14 0.00 2.98 4.39 -1.97 0.33 114.58 120.17 1ujd h GLU 88 Ca 0.10 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1ujd h GLU 88 Cb 0.25 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1ujd h GLU 88 CO -0.58 -0.09 0.00 0.39 -1.16 0.00 0.00 179.01 177.57 1ujd n GLU 89 N -3.68 0.00 -0.25 2.33 1.02 -0.59 0.18 120.64 119.65 1ujd n GLU 89 Ca -0.01 0.94 -0.08 0.00 -0.02 0.00 0.00 57.16 57.99 1ujd n GLU 89 Cb 0.12 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 30.04 1ujd n GLU 89 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ujd h VAL 90 N 0.00 0.00 -0.75 2.62 2.07 -0.63 0.98 116.25 120.54 1ujd h VAL 90 Ca 0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 1ujd h VAL 90 Cb 0.00 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.64 1ujd h VAL 90 CO 0.00 0.00 -0.01 -0.61 0.02 0.00 0.00 177.57 176.97 1ujd h GLN 91 N -0.04 0.09 -0.54 1.57 4.15 0.82 1.17 115.11 122.32 1ujd h GLN 91 Ca 0.10 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 1ujd h GLN 91 Cb 0.29 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1ujd h GLN 91 CO -0.59 0.06 0.31 1.03 -1.93 0.00 0.00 178.83 177.71 1ujd h SER 92 N 0.09 0.65 0.38 -0.69 0.87 0.67 1.46 113.55 116.98 1ujd h SER 92 Ca 0.41 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 1ujd h SER 92 Cb 0.71 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1ujd h SER 92 CO -0.67 0.52 -0.18 0.40 -0.53 0.00 0.00 176.83 176.37 1ujd h ILE 93 N 0.75 0.00 -0.60 2.23 2.04 0.80 -3.24 117.51 119.48 1ujd h ILE 93 Ca 0.19 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.52 1ujd h ILE 93 Cb 0.00 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.05 1ujd h ILE 93 CO -0.03 0.00 0.40 0.16 0.00 0.00 0.00 178.15 178.67 1ujd h ILE 94 N -1.12 0.96 -3.37 -0.67 3.07 0.11 -3.42 117.51 113.06 1ujd h ILE 94 Ca -0.05 -0.18 -0.45 0.00 1.55 0.00 0.00 64.86 65.73 1ujd h ILE 94 Cb 0.39 0.40 0.15 0.00 -0.27 0.00 0.00 36.82 37.49 1ujd h ILE 94 CO 0.08 0.09 0.35 -0.44 -1.05 0.00 0.00 178.15 177.19 1ujd s SER 95 N -6.31 3.19 -1.17 2.16 0.01 0.50 -4.45 113.70 107.62 1ujd s SER 95 Ca -0.08 -0.02 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 1ujd s SER 95 Cb 0.19 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.43 1ujd s SER 95 CO 0.75 -2.66 0.72 0.00 0.41 0.00 0.00 173.24 172.46 1ujd n GLN 96 N -3.60 -0.61 -4.75 12.44 6.02 -1.26 -4.82 117.38 120.79 1ujd n GLN 96 Ca 0.17 0.23 -0.26 0.00 -0.01 0.00 0.00 57.00 57.13 1ujd n GLN 96 Cb 0.60 -3.04 -0.16 0.00 1.02 0.00 0.00 30.24 28.65 1ujd n GLN 96 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1ujd s GLN 97 N -6.84 1.78 -0.07 -1.09 2.00 -1.26 -5.01 119.66 109.17 1ujd s GLN 97 Ca 0.47 -0.55 -0.04 0.00 -2.00 0.00 0.00 55.36 53.25 1ujd s GLN 97 Cb -0.23 -1.51 -0.04 0.00 0.80 0.00 0.00 33.01 32.04 1ujd s GLN 97 CO 0.93 0.17 0.10 0.45 -0.50 0.00 0.00 175.29 176.44 1ujd s SER 98 N 0.25 5.93 0.37 6.67 0.15 -1.26 -4.49 113.70 121.31 1ujd s SER 98 Ca -0.08 0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1ujd s SER 98 Cb -0.13 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1ujd s SER 98 CO 0.03 0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.43 1ujd n GLY 99 N 1.68 -2.42 3.02 9.45 0.00 -1.26 -4.84 105.19 110.83 1ujd n GLY 99 Ca -0.17 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.30 1ujd n GLY 99 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ujd n GLU 100 N -3.87 -0.02 -4.01 1.61 0.00 -1.26 -4.85 120.64 108.24 1ujd n GLU 100 Ca -0.03 -0.00 -0.10 0.00 0.00 0.00 0.00 57.16 57.03 1ujd n GLU 100 Cb 0.53 -1.04 -0.11 0.00 0.00 0.00 0.00 31.44 30.81 1ujd n GLU 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ujd s ALA 101 N -2.02 0.28 -0.11 -1.84 0.00 -0.66 -4.95 121.76 112.46 1ujd s ALA 101 Ca 0.41 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 1ujd s ALA 101 Cb -0.18 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1ujd s ALA 101 CO 0.82 -0.15 -0.00 -1.21 0.00 0.00 0.00 175.76 175.22 1ujd s GLU 102 N -1.76 3.26 -0.02 0.00 2.02 -1.26 -0.01 118.70 120.93 1ujd s GLU 102 Ca -0.12 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.48 1ujd s GLU 102 Cb -0.08 -2.87 -0.01 0.00 0.10 0.00 0.00 34.13 31.28 1ujd s GLU 102 CO -0.02 0.54 -0.14 -1.50 0.02 0.00 0.00 175.26 174.16 1ujd s ILE 103 N -0.44 1.14 -0.28 -1.63 2.07 -0.93 0.83 121.20 121.96 1ujd s ILE 103 Ca 0.08 -0.60 0.02 0.00 -1.41 0.00 0.00 60.65 58.73 1ujd s ILE 103 Cb -0.12 -0.96 0.06 0.00 0.13 0.00 0.00 42.46 41.57 1ujd s ILE 103 CO 0.02 0.33 -0.07 0.00 -1.91 0.00 0.00 174.94 173.31 1ujd s VAL 105 N 1.13 2.53 0.09 0.00 -7.23 -1.02 0.18 120.40 116.09 1ujd s VAL 105 Ca -0.07 -2.19 -0.17 0.00 -1.81 0.00 0.00 61.98 57.74 1ujd s VAL 105 Cb -0.20 -2.58 -0.07 0.00 0.56 0.00 0.00 36.38 34.09 1ujd s VAL 105 CO -0.04 -0.29 0.54 -0.60 -0.31 0.00 0.00 175.10 174.40 1ujd s ARG 106 N -3.61 4.07 -0.02 4.82 3.52 -1.16 -1.11 118.95 125.47 1ujd s ARG 106 Ca 0.32 0.59 -0.14 0.00 -0.13 0.00 0.00 55.73 56.38 1ujd s ARG 106 Cb -0.02 -3.11 -0.08 0.00 -1.56 0.00 0.00 34.95 30.19 1ujd s ARG 106 CO 0.17 0.58 0.64 -0.07 -0.81 0.00 0.00 175.30 175.81 1ujd h LEU 107 N 4.17 -0.41 -7.89 -0.88 3.38 -1.01 -3.39 115.31 109.28 1ujd h LEU 107 Ca -0.49 0.01 -0.73 0.00 0.09 0.00 0.00 57.88 56.76 1ujd h LEU 107 Cb 1.21 0.11 -0.21 0.00 0.09 0.00 0.00 40.66 41.85 1ujd h LEU 107 CO 0.64 -0.07 0.61 -0.62 0.09 0.00 0.00 178.44 179.10 1ujd s ASP 108 N -4.44 6.74 -0.30 -0.43 2.15 -1.24 -4.89 116.67 114.25 1ujd s ASP 108 Ca -0.07 -2.41 -0.17 0.00 0.43 0.00 0.00 52.55 50.33 1ujd s ASP 108 Cb 0.01 -2.33 0.19 0.00 -0.30 0.00 0.00 42.92 40.49 1ujd s ASP 108 CO 0.21 -0.84 1.22 -0.22 -0.17 0.00 0.00 175.17 175.38 1ujd s LEU 109 N 1.58 -0.15 0.00 -1.34 1.98 -1.26 -5.01 118.68 114.48 1ujd s LEU 109 Ca 0.28 0.22 0.03 0.00 -2.89 0.00 0.00 54.13 51.78 1ujd s LEU 109 Cb -0.07 1.19 -0.01 0.00 0.66 0.00 0.00 46.19 47.97 1ujd s LEU 109 CO -0.09 -0.03 -0.09 0.20 -1.89 0.00 0.00 176.35 174.45 1ujd s ASN 110 N 1.63 1.07 -0.05 3.68 -0.87 -1.26 -4.48 114.94 114.66 1ujd s ASN 110 Ca -0.04 -0.21 -0.06 0.00 -1.57 0.00 0.00 52.86 50.97 1ujd s ASN 110 Cb -0.02 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.25 41.09 1ujd s ASN 110 CO -0.14 0.08 -0.12 0.23 -2.57 0.00 0.00 177.10 174.58 1ujd n MET 111 N 2.68 0.19 -1.26 -0.60 2.81 0.81 -4.85 117.12 116.90 1ujd n MET 111 Ca -0.14 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.82 1ujd n MET 111 Cb 0.57 -0.75 0.00 0.00 -0.71 0.00 0.00 33.22 32.32 1ujd n MET 111 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1ujd n SER 112 N -3.36 -6.77 -4.79 7.83 2.88 -1.26 -4.94 113.62 103.20 1ujd n SER 112 Ca -0.05 0.88 -0.38 0.00 -1.33 0.00 0.00 58.87 57.98 1ujd n SER 112 Cb 0.18 -3.04 -0.06 0.00 -0.75 0.00 0.00 64.21 60.54 1ujd n SER 112 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujd s GLY 113 N -1.41 2.81 -0.82 0.46 0.00 -1.26 -4.98 107.32 102.12 1ujd s GLY 113 Ca 0.00 0.30 -0.25 0.00 0.00 0.00 0.00 44.72 44.76 1ujd s GLY 113 CO 0.00 0.75 1.62 2.56 0.00 0.00 0.00 173.10 178.04 1ujd s PRO 114 N -1.43 3.00 -0.27 2.90 0.04 -1.26 -4.89 135.00 133.09 1ujd s PRO 114 Ca 0.38 -0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.05 1ujd s PRO 114 Cb -0.21 -4.73 0.11 0.00 0.04 0.00 0.00 34.50 29.70 1ujd s PRO 114 CO 0.24 -2.60 0.61 0.45 0.04 0.00 0.00 177.00 175.74 1ujd s SER 115 N 6.14 -0.92 -0.21 6.66 0.15 -1.26 -5.14 113.70 119.12 1ujd s SER 115 Ca 0.54 1.43 0.01 0.00 0.70 0.00 0.00 55.95 58.63 1ujd s SER 115 Cb -0.07 1.82 0.03 0.00 -1.71 0.00 0.00 66.02 66.09 1ujd s SER 115 CO 0.06 -0.23 -0.14 -0.55 1.20 0.00 0.00 173.24 173.58 1ujd s SER 116 N 2.43 3.73 0.00 5.45 0.15 -1.26 -5.26 113.70 118.94 1ujd s SER 116 Ca -0.07 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.72 1ujd s SER 116 Cb -0.10 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 1ujd s SER 116 CO -0.18 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.80