#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 -0.28 0.24 1.61 0.15 -1.26 -5.17 113.70 108.99 1ujd s SER 2 Ca 0.00 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1ujd s SER 2 Cb 0.00 0.30 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1ujd s SER 2 CO 0.00 -0.48 0.43 -0.94 1.20 0.00 0.00 173.24 173.44 1ujd s SER 3 N -2.38 6.36 0.00 5.45 1.04 -1.26 -5.06 113.70 117.85 1ujd s SER 3 Ca 0.07 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1ujd s SER 3 Cb -0.01 -2.00 0.00 0.00 0.10 0.00 0.00 66.02 64.11 1ujd s SER 3 CO -0.07 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.65 1ujd n GLY 4 N -1.00 4.68 0.22 7.32 0.00 -1.26 -5.02 105.19 110.13 1ujd n GLY 4 Ca -0.05 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 1ujd n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ujd h SER 5 N 0.00 -0.40 -5.14 1.61 0.02 -2.09 -3.49 113.55 104.06 1ujd h SER 5 Ca 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1ujd h SER 5 Cb 0.00 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1ujd h SER 5 CO 0.00 0.03 -1.12 -0.24 -1.14 0.00 0.00 176.83 174.35 1ujd n SER 6 N -5.12 -6.46 -4.67 3.07 2.88 -1.26 -4.95 113.62 97.11 1ujd n SER 6 Ca -0.09 1.41 -0.39 0.00 -1.33 0.00 0.00 58.87 58.47 1ujd n SER 6 Cb 0.27 -5.28 -0.07 0.00 -0.75 0.00 0.00 64.21 58.39 1ujd n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujd s GLY 7 N -1.43 2.12 -0.21 0.46 0.00 -1.26 -5.04 107.32 101.95 1ujd s GLY 7 Ca -0.06 -0.38 -0.17 0.00 0.00 0.00 0.00 44.72 44.12 1ujd s GLY 7 CO 0.78 1.03 0.55 -1.58 0.00 0.00 0.00 173.10 173.88 1ujd s HIS 8 N 1.48 -0.69 1.05 1.90 2.46 -1.26 -5.17 115.29 115.05 1ujd s HIS 8 Ca 0.24 1.57 -0.17 0.00 0.47 0.00 0.00 55.06 57.17 1ujd s HIS 8 Cb -0.15 0.30 0.23 0.00 -0.13 0.00 0.00 32.58 32.83 1ujd s HIS 8 CO 0.10 -0.35 1.25 0.71 -2.47 0.00 0.00 174.74 173.98 1ujd s TYR 9 N 0.76 1.21 -0.75 3.88 2.02 -1.26 -4.95 117.35 118.26 1ujd s TYR 9 Ca -0.04 0.38 0.26 0.00 -0.37 0.00 0.00 57.07 57.30 1ujd s TYR 9 Cb -0.05 -3.89 0.85 0.00 -0.40 0.00 0.00 41.96 38.47 1ujd s TYR 9 CO -0.06 -3.08 1.79 0.44 -1.57 0.00 0.00 175.55 173.08 1ujd n ILE 10 N -4.11 0.54 -4.21 2.71 -5.35 -1.26 -4.82 119.36 102.87 1ujd n ILE 10 Ca 0.15 -0.25 -0.23 0.00 -0.27 0.00 0.00 62.75 62.15 1ujd n ILE 10 Cb 0.59 -0.59 -0.07 0.00 -1.74 0.00 0.00 39.64 37.84 1ujd n ILE 10 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1ujd s PHE 11 N -3.09 2.75 -0.22 4.28 -0.71 -1.26 -5.08 117.98 114.64 1ujd s PHE 11 Ca 0.11 -0.26 -0.29 0.00 -1.04 0.00 0.00 56.93 55.44 1ujd s PHE 11 Cb 0.13 -1.37 -0.01 0.00 -1.21 0.00 0.00 43.02 40.56 1ujd s PHE 11 CO 0.59 0.51 1.31 -1.25 -1.34 0.00 0.00 175.22 175.03 1ujd s PRO 12 N -3.75 4.08 0.19 1.99 0.04 -1.26 -4.99 135.00 131.28 1ujd s PRO 12 Ca 0.34 1.50 -0.00 0.00 0.04 0.00 0.00 61.00 62.88 1ujd s PRO 12 Cb -0.05 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 1ujd s PRO 12 CO 0.21 -0.91 0.09 -3.38 0.04 0.00 0.00 177.00 173.05 1ujd s HIS 13 N 3.97 1.15 -0.11 0.56 -3.43 -1.26 0.28 115.29 116.45 1ujd s HIS 13 Ca 0.57 -1.25 -0.09 0.00 -0.80 0.00 0.00 55.06 53.48 1ujd s HIS 13 Cb -0.20 -0.62 0.03 0.00 -1.43 0.00 0.00 32.58 30.36 1ujd s HIS 13 CO 0.19 -0.49 0.28 0.00 -2.00 0.00 0.00 174.74 172.72 1ujd s ALA 14 N -3.99 -0.69 -0.47 -1.38 0.00 -1.09 -4.86 121.76 109.29 1ujd s ALA 14 Ca 0.33 0.81 -0.09 0.00 0.00 0.00 0.00 51.96 53.01 1ujd s ALA 14 Cb 0.07 -0.48 0.12 0.00 0.00 0.00 0.00 23.12 22.83 1ujd s ALA 14 CO 0.08 -0.14 0.34 1.03 0.00 0.00 0.00 175.76 177.07 1ujd s ARG 15 N 0.23 2.49 -0.31 0.00 0.52 -1.26 -3.34 118.95 117.27 1ujd s ARG 15 Ca -0.01 -1.74 -0.03 0.00 -0.52 0.00 0.00 55.73 53.44 1ujd s ARG 15 Cb -0.03 -3.91 0.05 0.00 0.52 0.00 0.00 34.95 31.58 1ujd s ARG 15 CO -0.00 -1.17 0.03 0.42 0.02 0.00 0.00 175.30 174.60 1ujd s ILE 16 N 1.37 3.21 0.01 1.52 1.09 -1.20 -5.00 121.20 122.19 1ujd s ILE 16 Ca 0.05 -1.34 -0.25 0.00 -1.10 0.00 0.00 60.65 58.02 1ujd s ILE 16 Cb -0.26 -2.85 -0.05 0.00 -1.06 0.00 0.00 42.46 38.25 1ujd s ILE 16 CO -0.00 -0.14 0.77 -1.59 -0.10 0.00 0.00 174.94 173.87 1ujd s LYS 17 N 1.29 4.48 -0.20 2.79 0.00 -1.26 -3.86 119.74 122.98 1ujd s LYS 17 Ca -0.04 1.04 -0.29 0.00 0.00 0.00 0.00 55.97 56.68 1ujd s LYS 17 Cb -0.20 -3.40 0.00 0.00 0.00 0.00 0.00 37.83 34.23 1ujd s LYS 17 CO -0.00 0.18 1.11 0.42 0.00 0.00 0.00 175.35 177.05 1ujd s ILE 18 N 0.32 4.56 0.10 3.79 1.01 0.33 -4.93 121.20 126.38 1ujd s ILE 18 Ca 0.40 1.88 0.05 0.00 0.00 0.00 0.00 60.65 62.98 1ujd s ILE 18 Cb -0.20 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 1ujd s ILE 18 CO 0.22 -0.15 -0.00 0.42 0.00 0.00 0.00 174.94 175.43 1ujd s THR 19 N 3.19 3.98 -0.10 2.92 -4.23 -1.26 -2.17 115.64 117.97 1ujd s THR 19 Ca 0.48 -1.04 -0.25 0.00 -1.18 0.00 0.00 61.69 59.70 1ujd s THR 19 Cb -0.17 -2.91 -0.21 0.00 1.34 0.00 0.00 72.50 70.54 1ujd s THR 19 CO 0.10 0.09 0.83 -0.09 -0.54 0.00 0.00 174.62 175.01 1ujd h ARG 20 N 3.36 -0.03 0.00 3.99 2.43 -1.95 -3.46 114.38 118.71 1ujd h ARG 20 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1ujd h ARG 20 Cb 1.17 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1ujd h ARG 20 CO 0.59 0.71 0.00 -0.25 -1.51 0.00 0.00 179.97 179.51 1ujd n ASP 21 N -4.72 0.00 -2.80 -3.80 9.92 -1.26 -4.90 116.55 108.99 1ujd n ASP 21 Ca -0.09 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.17 1ujd n ASP 21 Cb 0.37 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.84 1ujd n ASP 21 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1ujd n SER 22 N -0.75 -7.13 0.00 -2.24 2.88 -1.26 -3.67 113.62 101.44 1ujd n SER 22 Ca 0.00 1.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1ujd n SER 22 Cb 0.00 -4.63 0.00 0.00 -0.75 0.00 0.00 64.21 58.83 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 0.93 0.00 -1.69 -1.46 5.02 -1.26 -4.83 118.16 114.87 1ujd n LYS 23 Ca -0.04 0.00 -0.53 0.00 -2.02 0.00 0.00 58.31 55.72 1ujd n LYS 23 Cb 0.14 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.09 1ujd n LYS 23 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1ujd n ASP 24 N 2.56 2.79 -4.35 4.39 8.00 -1.24 -4.87 116.55 123.82 1ujd n ASP 24 Ca 0.00 1.04 -0.45 0.00 0.71 0.00 0.00 54.79 56.09 1ujd n ASP 24 Cb 0.00 -1.25 -0.00 0.00 -0.02 0.00 0.00 41.12 39.85 1ujd n ASP 24 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1ujd s HIS 25 N 3.35 4.20 -0.45 1.24 2.46 -1.26 -4.61 115.29 120.22 1ujd s HIS 25 Ca 0.94 -2.64 0.02 0.00 0.47 0.00 0.00 55.06 53.86 1ujd s HIS 25 Cb -0.89 -3.89 0.15 0.00 -0.13 0.00 0.00 32.58 27.82 1ujd s HIS 25 CO 0.57 -1.00 0.28 0.95 -2.47 0.00 0.00 174.74 173.07 1ujd s THR 26 N -0.97 1.14 -0.13 0.89 -4.23 -1.26 -5.09 115.64 105.98 1ujd s THR 26 Ca 0.32 -2.60 -0.00 0.00 -1.18 0.00 0.00 61.69 58.23 1ujd s THR 26 Cb -0.09 -1.79 -0.01 0.00 1.34 0.00 0.00 72.50 71.94 1ujd s THR 26 CO -0.07 -0.98 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.20 1ujd s VAL 27 N 0.24 3.03 0.32 2.29 1.01 -1.26 -4.92 120.40 121.10 1ujd s VAL 27 Ca 0.21 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1ujd s VAL 27 Cb -0.17 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1ujd s VAL 27 CO -0.05 0.52 0.00 -1.54 0.00 0.00 0.00 175.10 174.03 1ujd n SER 28 N 3.55 -2.19 0.00 3.32 3.41 -1.26 -5.13 113.62 115.32 1ujd n SER 28 Ca -0.18 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1ujd n SER 28 Cb 0.53 2.17 0.00 0.00 -0.26 0.00 0.00 64.21 66.65 1ujd n SER 28 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujd n GLY 29 N -0.42 0.58 2.04 5.00 0.00 -1.26 -5.09 105.19 106.03 1ujd n GLY 29 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1ujd n GLY 29 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ujd n ASN 30 N 0.00 -0.66 -0.43 1.61 5.15 -1.26 -5.17 115.26 114.50 1ujd n ASN 30 Ca 0.00 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.13 1ujd n ASN 30 Cb 0.00 1.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.25 1ujd n ASN 30 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ujd n GLY 31 N -1.27 -1.38 3.81 8.20 0.00 -1.26 -4.82 105.19 108.48 1ujd n GLY 31 Ca 0.00 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1ujd n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ujd s LEU 32 N 0.00 3.69 -0.29 0.99 1.02 -1.26 -4.50 118.68 118.33 1ujd s LEU 32 Ca 0.00 1.81 0.04 0.00 0.02 0.00 0.00 54.13 56.00 1ujd s LEU 32 Cb 0.00 -4.54 0.18 0.00 0.02 0.00 0.00 46.19 41.85 1ujd s LEU 32 CO 0.00 -0.85 0.49 -0.83 0.02 0.00 0.00 176.35 175.18 1ujd s GLY 33 N -2.46 -0.89 -0.12 -3.19 0.00 -1.26 -5.01 107.32 94.39 1ujd s GLY 33 Ca 0.64 0.66 -0.11 0.00 0.00 0.00 0.00 44.72 45.91 1ujd s GLY 33 CO 0.27 3.33 0.32 -1.50 0.00 0.00 0.00 173.10 175.53 1ujd s ILE 34 N 2.68 -0.00 -0.35 0.90 2.07 -1.26 -3.49 121.20 121.74 1ujd s ILE 34 Ca 0.10 0.02 -0.03 0.00 -1.41 0.00 0.00 60.65 59.33 1ujd s ILE 34 Cb -0.11 -0.46 0.07 0.00 0.13 0.00 0.00 42.46 42.09 1ujd s ILE 34 CO -0.28 0.01 0.10 -0.13 -1.91 0.00 0.00 174.94 172.73 1ujd s ARG 35 N 0.34 2.27 -0.24 3.50 0.52 0.09 -5.01 118.95 120.42 1ujd s ARG 35 Ca -0.01 -1.50 -0.04 0.00 -0.52 0.00 0.00 55.73 53.66 1ujd s ARG 35 Cb -0.03 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 32.04 1ujd s ARG 35 CO -0.01 -0.82 -0.03 0.42 0.02 0.00 0.00 175.30 174.88 1ujd s ILE 36 N 1.23 3.35 -0.04 1.52 1.01 -1.26 0.19 121.20 127.20 1ujd s ILE 36 Ca 0.01 -0.65 -0.19 0.00 0.00 0.00 0.00 60.65 59.82 1ujd s ILE 36 Cb -0.21 -2.60 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 1ujd s ILE 36 CO -0.02 0.31 0.54 -0.69 0.00 0.00 0.00 174.94 175.09 1ujd s VAL 37 N 1.45 5.00 0.47 2.92 1.01 0.06 -4.65 120.40 126.66 1ujd s VAL 37 Ca 0.04 1.13 0.08 0.00 0.00 0.00 0.00 61.98 63.22 1ujd s VAL 37 Cb -0.15 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.37 1ujd s VAL 37 CO -0.03 0.40 0.51 -0.83 0.00 0.00 0.00 175.10 175.16 1ujd s GLY 38 N -0.03 2.05 -0.92 4.51 0.00 -1.26 -1.41 107.32 110.25 1ujd s GLY 38 Ca 0.29 -1.79 -0.04 0.00 0.00 0.00 0.00 44.72 43.18 1ujd s GLY 38 CO 0.15 -1.68 0.80 0.61 0.00 0.00 0.00 173.10 172.97 1ujd n GLY 39 N -1.79 -0.11 3.24 0.20 0.00 -0.49 -3.38 105.19 102.86 1ujd n GLY 39 Ca 0.06 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.65 2.48 0.21 1.61 2.47 -0.45 -4.81 119.74 115.60 1ujd s LYS 40 Ca 0.29 -0.85 -0.31 0.00 -1.56 0.00 0.00 55.97 53.54 1ujd s LYS 40 Cb -0.13 -2.08 -0.11 0.00 -1.46 0.00 0.00 37.83 34.06 1ujd s LYS 40 CO 0.51 0.34 1.58 -1.21 0.16 0.00 0.00 175.35 176.73 1ujd s GLU 41 N -0.07 4.19 -0.39 4.03 2.02 -1.26 0.30 118.70 127.51 1ujd s GLU 41 Ca -0.05 2.44 -0.20 0.00 0.02 0.00 0.00 54.97 57.18 1ujd s GLU 41 Cb -0.14 -3.11 0.01 0.00 0.10 0.00 0.00 34.13 31.00 1ujd s GLU 41 CO 0.04 -0.60 0.59 0.42 0.02 0.00 0.00 175.26 175.73 1ujd s ILE 42 N 0.72 4.91 -1.22 -1.63 1.01 0.21 -4.89 121.20 120.32 1ujd s ILE 42 Ca 0.68 0.24 -0.08 0.00 0.00 0.00 0.00 60.65 61.49 1ujd s ILE 42 Cb -0.45 -4.10 -0.07 0.00 0.01 0.00 0.00 42.46 37.85 1ujd s ILE 42 CO 0.37 -0.42 2.46 -0.81 0.00 0.00 0.00 174.94 176.54 1ujd n PRO 43 N 6.02 2.76 0.00 2.79 -0.04 -1.26 -2.80 135.00 142.47 1ujd n PRO 43 Ca -0.03 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.64 1ujd n PRO 43 Cb 0.48 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 1ujd n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ujd n GLY 44 N 3.71 0.03 2.33 0.55 0.00 -1.26 -4.92 105.19 105.62 1ujd n GLY 44 Ca 0.59 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 46.30 1ujd n GLY 44 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ujd n HIS 45 N -1.24 1.37 0.00 1.61 8.25 -1.12 -4.87 115.22 119.22 1ujd n HIS 45 Ca 0.00 -2.07 0.00 0.00 -0.26 0.00 0.00 57.72 55.39 1ujd n HIS 45 Cb 0.00 -1.63 0.00 0.00 1.12 0.00 0.00 29.99 29.48 1ujd n HIS 45 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ujd n SER 46 N 1.76 0.00 -2.68 0.41 2.88 -1.26 -2.62 113.62 112.10 1ujd n SER 46 Ca 0.52 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 58.01 1ujd n SER 46 Cb 0.58 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 64.11 1ujd n SER 46 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujd n GLY 47 N 0.00 -0.19 3.65 0.46 0.00 -1.26 -4.91 105.19 102.94 1ujd n GLY 47 Ca 0.00 0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1ujd n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ujd s GLU 48 N 0.13 2.49 0.51 1.61 2.56 -1.08 -4.88 118.70 120.04 1ujd s GLU 48 Ca 0.17 -0.83 -0.12 0.00 0.00 0.00 0.00 54.97 54.19 1ujd s GLU 48 Cb 0.26 -2.50 -0.06 0.00 2.00 0.00 0.00 34.13 33.83 1ujd s GLU 48 CO -0.09 0.55 0.91 0.96 -0.56 0.00 0.00 175.26 177.03 1ujd s ILE 49 N -1.21 4.71 0.00 -3.70 -4.36 -1.26 0.67 121.20 116.06 1ujd s ILE 49 Ca 0.23 0.80 0.00 0.00 -0.26 0.00 0.00 60.65 61.41 1ujd s ILE 49 Cb -0.11 -3.79 0.00 0.00 1.25 0.00 0.00 42.46 39.81 1ujd s ILE 49 CO 0.15 -0.80 0.00 0.61 0.24 0.00 0.00 174.94 175.14 1ujd n GLY 50 N -1.93 1.55 3.39 6.27 0.00 0.15 -0.40 105.19 114.21 1ujd n GLY 50 Ca 0.04 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 2.38 0.11 4.61 0.00 -1.25 -1.34 121.76 125.27 1ujd s ALA 51 Ca 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 51.96 50.55 1ujd s ALA 51 Cb 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1ujd s ALA 51 CO 0.00 0.55 0.30 1.52 0.00 0.00 0.00 175.76 178.12 1ujd s TYR 52 N -0.89 -0.01 -0.06 0.00 1.13 -0.50 -1.53 117.35 115.48 1ujd s TYR 52 Ca 0.13 -0.36 -0.30 0.00 -1.41 0.00 0.00 57.07 55.13 1ujd s TYR 52 Cb -0.10 0.10 -0.06 0.00 -1.10 0.00 0.00 41.96 40.80 1ujd s TYR 52 CO 0.04 -0.63 1.71 0.42 -2.51 0.00 0.00 175.55 174.58 1ujd s ILE 53 N -3.84 3.50 -0.23 -3.49 1.01 -0.94 -0.76 121.20 116.46 1ujd s ILE 53 Ca 0.04 0.60 -0.16 0.00 0.00 0.00 0.00 60.65 61.14 1ujd s ILE 53 Cb 0.03 -3.41 -0.12 0.00 0.01 0.00 0.00 42.46 38.97 1ujd s ILE 53 CO -0.11 -0.07 -0.20 0.00 0.00 0.00 0.00 174.94 174.56 1ujd n ALA 54 N 7.44 0.98 -2.72 9.38 0.00 0.50 -2.07 120.51 134.01 1ujd n ALA 54 Ca 0.18 -0.84 -0.17 0.00 0.00 0.00 0.00 53.44 52.61 1ujd n ALA 54 Cb 0.43 -0.07 -0.14 0.00 0.00 0.00 0.00 19.45 19.67 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 -2.52 0.64 -0.30 0.00 2.47 -0.73 -4.71 119.74 114.60 1ujd s LYS 55 Ca -0.33 -0.42 0.02 0.00 -1.56 0.00 0.00 55.97 53.68 1ujd s LYS 55 Cb 0.10 -0.59 0.07 0.00 -1.46 0.00 0.00 37.83 35.95 1ujd s LYS 55 CO 0.48 0.15 -0.02 0.42 0.16 0.00 0.00 175.35 176.55 1ujd s ILE 56 N -0.47 2.49 0.66 5.43 1.01 -1.26 -0.73 121.20 128.34 1ujd s ILE 56 Ca 0.01 -1.79 -0.18 0.00 0.00 0.00 0.00 60.65 58.69 1ujd s ILE 56 Cb -0.05 -2.57 -0.15 0.00 0.01 0.00 0.00 42.46 39.70 1ujd s ILE 56 CO 0.00 -0.25 -0.30 0.18 0.00 0.00 0.00 174.94 174.57 1ujd n LEU 57 N 4.45 -4.19 -4.76 2.97 4.32 -1.23 -4.85 117.00 113.71 1ujd n LEU 57 Ca -0.08 0.51 -0.40 0.00 -0.02 0.00 0.00 56.01 56.02 1ujd n LEU 57 Cb 0.42 -0.84 -0.04 0.00 -1.62 0.00 0.00 43.42 41.34 1ujd n LEU 57 CO 0.24 -5.10 0.77 -2.16 -1.22 0.00 0.00 177.39 169.92 1ujd s PRO 58 N -1.39 4.64 -1.36 3.23 0.04 -1.26 -3.67 135.00 135.24 1ujd s PRO 58 Ca 0.52 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 63.31 1ujd s PRO 58 Cb -0.39 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1ujd s PRO 58 CO 0.71 0.23 0.01 0.41 0.04 0.00 0.00 177.00 178.40 1ujd n GLY 59 N 1.18 -0.12 1.52 0.56 0.00 -1.26 -4.91 105.19 102.16 1ujd n GLY 59 Ca -0.01 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.39 1.66 0.19 -0.02 0.00 -1.24 -4.94 105.19 98.46 1ujd n GLY 60 Ca -0.29 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.02 0.64 -0.17 1.61 0.02 -1.86 -1.04 113.55 112.73 1ujd h SER 61 Ca -0.11 -0.44 -0.15 0.00 -0.84 0.00 0.00 61.79 60.24 1ujd h SER 61 Cb 0.48 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1ujd h SER 61 CO 0.15 1.21 -0.49 0.00 -1.14 0.00 0.00 176.83 176.56 1ujd h ALA 62 N 0.77 0.29 0.00 3.77 0.00 -1.93 -2.89 119.26 119.27 1ujd h ALA 62 Ca -0.05 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 1ujd h ALA 62 Cb 1.41 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1ujd h ALA 62 CO 0.15 0.46 -0.03 1.49 0.00 0.00 0.00 179.25 181.32 1ujd h GLU 63 N 0.31 0.00 0.29 0.00 4.57 -1.81 -3.07 114.58 114.86 1ujd h GLU 63 Ca -0.01 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1ujd h GLU 63 Cb 1.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1ujd h GLU 63 CO 0.11 0.03 -0.14 1.96 -1.18 0.00 0.00 179.01 179.79 1ujd h GLN 64 N 0.00 -0.37 -0.94 1.92 4.20 -0.97 -2.99 115.11 115.96 1ujd h GLN 64 Ca -0.00 0.03 0.30 0.00 0.06 0.00 0.00 58.65 59.03 1ujd h GLN 64 Cb 0.50 0.08 -0.17 0.00 0.30 0.00 0.00 27.48 28.19 1ujd h GLN 64 CO 0.00 -0.09 0.16 0.25 -0.67 0.00 0.00 178.83 178.48 1ujd n THR 65 N -5.15 -0.39 0.00 -0.54 -2.24 -1.16 -4.75 114.28 100.05 1ujd n THR 65 Ca -0.10 2.02 0.00 0.00 -2.27 0.00 0.00 64.05 63.70 1ujd n THR 65 Cb 0.24 -3.04 0.00 0.00 -2.10 0.00 0.00 70.33 65.43 1ujd n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ujd n GLY 66 N -1.41 1.97 0.18 3.38 0.00 -1.13 -4.70 105.19 103.49 1ujd n GLY 66 Ca 0.26 -0.40 0.14 0.00 0.00 0.00 0.00 46.02 46.02 1ujd n GLY 66 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ujd h LYS 67 N 0.00 0.00 -6.17 1.61 3.64 -1.87 -3.42 116.57 110.36 1ujd h LYS 67 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 1ujd h LYS 67 Cb 0.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1ujd h LYS 67 CO 0.00 0.00 -0.10 -0.51 -2.27 0.00 0.00 179.45 176.57 1ujd s LEU 68 N -4.97 4.48 0.07 5.20 2.01 -1.26 -5.07 118.68 119.15 1ujd s LEU 68 Ca 0.02 1.13 -0.23 0.00 0.01 0.00 0.00 54.13 55.06 1ujd s LEU 68 Cb 0.09 -2.84 0.06 0.00 0.01 0.00 0.00 46.19 43.51 1ujd s LEU 68 CO 0.39 0.27 0.55 -0.04 1.01 0.00 0.00 176.35 178.53 1ujd s MET 69 N -1.22 1.11 0.64 1.70 -1.94 -1.26 -4.86 119.30 113.47 1ujd s MET 69 Ca 0.28 -0.28 -0.18 0.00 -1.71 0.00 0.00 55.69 53.81 1ujd s MET 69 Cb -0.18 0.51 -0.01 0.00 2.01 0.00 0.00 34.83 37.16 1ujd s MET 69 CO 0.17 -0.42 1.24 -1.21 -0.01 0.00 0.00 175.02 174.79 1ujd s GLU 70 N -2.77 2.63 0.00 2.03 8.01 -1.26 -2.58 118.70 124.75 1ujd s GLU 70 Ca -0.03 1.91 0.00 0.00 0.01 0.00 0.00 54.97 56.85 1ujd s GLU 70 Cb -0.00 -1.87 0.00 0.00 -4.31 0.00 0.00 34.13 27.94 1ujd s GLU 70 CO -0.04 -1.50 0.00 0.41 0.01 0.00 0.00 175.26 174.14 1ujd n GLY 71 N 0.63 3.06 3.67 -1.39 0.00 -0.88 -4.93 105.19 105.36 1ujd n GLY 71 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.31 4.15 0.08 1.61 -1.94 -1.06 0.62 119.30 122.44 1ujd s MET 72 Ca 0.00 2.56 -0.31 0.00 -1.71 0.00 0.00 55.69 56.23 1ujd s MET 72 Cb 0.00 -3.93 -0.07 0.00 2.01 0.00 0.00 34.83 32.84 1ujd s MET 72 CO 0.00 -0.90 1.35 -1.14 -0.01 0.00 0.00 175.02 174.32 1ujd s GLN 73 N 3.76 4.34 -0.43 2.03 0.74 -1.26 -2.21 119.66 126.63 1ujd s GLN 73 Ca 0.84 1.98 -0.19 0.00 0.05 0.00 0.00 55.36 58.04 1ujd s GLN 73 Cb -0.43 -3.34 0.02 0.00 1.10 0.00 0.00 33.01 30.37 1ujd s GLN 73 CO 0.38 -0.42 0.56 0.08 -0.55 0.00 0.00 175.29 175.34 1ujd s VAL 74 N 1.36 4.93 -0.04 1.34 1.01 -0.58 -3.44 120.40 124.98 1ujd s VAL 74 Ca 0.63 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 1ujd s VAL 74 Cb -0.34 -4.14 -0.19 0.00 0.00 0.00 0.00 36.38 31.70 1ujd s VAL 74 CO 0.29 -0.53 1.09 -0.07 0.00 0.00 0.00 175.10 175.88 1ujd h LEU 75 N 9.45 -0.09 -7.71 3.92 3.38 -0.73 -3.38 115.31 120.15 1ujd h LEU 75 Ca -0.26 -0.46 -0.14 0.00 0.09 0.00 0.00 57.88 57.11 1ujd h LEU 75 Cb 1.10 0.02 -0.21 0.00 0.09 0.00 0.00 40.66 41.67 1ujd h LEU 75 CO 0.86 0.45 -0.46 -1.61 0.09 0.00 0.00 178.44 177.77 1ujd s GLU 76 N -3.84 0.50 -0.07 1.13 2.02 -1.24 -4.31 118.70 112.90 1ujd s GLU 76 Ca -0.15 -0.35 0.05 0.00 0.02 0.00 0.00 54.97 54.53 1ujd s GLU 76 Cb 0.01 0.21 -0.00 0.00 0.10 0.00 0.00 34.13 34.45 1ujd s GLU 76 CO 0.60 -0.12 -0.21 -0.46 0.02 0.00 0.00 175.26 175.09 1ujd s TRP 77 N -1.33 2.17 -0.35 1.61 -0.11 -0.23 -1.66 118.94 119.03 1ujd s TRP 77 Ca -0.14 -0.74 0.00 0.00 1.22 0.00 0.00 56.10 56.44 1ujd s TRP 77 Cb -0.07 -1.45 0.00 0.00 -1.50 0.00 0.00 33.47 30.45 1ujd s TRP 77 CO 0.02 -0.27 0.00 0.27 -4.62 0.00 0.00 176.95 172.35 1ujd n ASN 78 N 3.26 -1.83 0.00 5.86 0.23 0.49 0.20 115.26 123.47 1ujd n ASN 78 Ca -0.19 0.36 0.00 0.00 -0.53 0.00 0.00 54.58 54.23 1ujd n ASN 78 Cb 0.52 -1.70 0.00 0.00 -2.08 0.00 0.00 39.78 36.52 1ujd n ASN 78 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ujd n GLY 79 N -0.53 2.35 3.68 4.83 0.00 -1.26 -4.83 105.19 109.43 1ujd n GLY 79 Ca -0.05 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.90 3.25 -0.71 -0.61 1.01 0.53 -4.90 121.20 118.86 1ujd s ILE 80 Ca 0.00 0.57 -0.26 0.00 0.00 0.00 0.00 60.65 60.95 1ujd s ILE 80 Cb 0.00 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1ujd s ILE 80 CO 0.00 -0.02 1.58 -2.16 0.00 0.00 0.00 174.94 174.34 1ujd s PRO 81 N 3.16 2.93 0.00 2.79 0.04 -1.26 -1.06 135.00 141.60 1ujd s PRO 81 Ca 0.74 0.06 0.15 0.00 0.04 0.00 0.00 61.00 61.99 1ujd s PRO 81 Cb -0.37 -4.41 0.77 0.00 0.04 0.00 0.00 34.50 30.53 1ujd s PRO 81 CO 0.32 -2.48 1.51 1.47 0.04 0.00 0.00 177.00 177.86 1ujd n LEU 82 N 11.09 0.51 -4.79 -3.56 -0.00 -1.26 -4.85 117.00 114.15 1ujd n LEU 82 Ca 0.15 -0.22 -0.36 0.00 -0.00 0.00 0.00 56.01 55.57 1ujd n LEU 82 Cb 0.50 -0.04 -0.05 0.00 -0.00 0.00 0.00 43.42 43.83 1ujd n LEU 82 CO 0.70 0.11 0.69 -0.89 -0.00 0.00 0.00 177.39 178.00 1ujd s THR 83 N -1.92 4.03 -1.41 1.47 2.01 -1.26 -3.39 115.64 115.18 1ujd s THR 83 Ca 0.23 1.56 -0.01 0.00 0.31 0.00 0.00 61.69 63.79 1ujd s THR 83 Cb 0.11 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.81 1ujd s THR 83 CO 0.18 0.02 0.13 -0.24 -0.69 0.00 0.00 174.62 174.02 1ujd n SER 84 N 0.12 -5.09 0.00 3.53 2.88 0.46 -4.93 113.62 110.60 1ujd n SER 84 Ca 0.04 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1ujd n SER 84 Cb 0.50 -4.11 0.00 0.00 -0.75 0.00 0.00 64.21 59.85 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 -2.84 3.89 -4.16 -1.46 4.76 -1.22 -4.99 118.16 112.14 1ujd n LYS 85 Ca -0.17 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.09 1ujd n LYS 85 Cb 0.64 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.71 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 1.88 1.04 0.33 -0.18 -4.23 -1.26 -3.79 115.64 109.43 1ujd s THR 86 Ca 0.00 -1.27 0.10 0.00 -1.18 0.00 0.00 61.69 59.33 1ujd s THR 86 Cb 0.00 -1.02 0.39 0.00 1.34 0.00 0.00 72.50 73.21 1ujd s THR 86 CO 0.00 -0.24 1.56 0.00 -0.54 0.00 0.00 174.62 175.40 1ujd n TYR 87 N 1.31 0.86 0.09 3.99 9.36 -1.22 -0.79 117.16 130.76 1ujd n TYR 87 Ca -0.21 1.18 -0.04 0.00 3.32 0.00 0.00 57.90 62.15 1ujd n TYR 87 Cb 0.54 -1.38 -0.02 0.00 -0.63 0.00 0.00 39.34 37.85 1ujd n TYR 87 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1ujd h GLU 88 N 0.00 -0.23 -0.32 2.98 5.08 -1.96 -2.27 114.58 117.87 1ujd h GLU 88 Ca 0.70 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 59.11 1ujd h GLU 88 Cb 1.66 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.92 1ujd h GLU 88 CO -0.86 -0.15 -0.19 0.39 -1.00 0.00 0.00 179.01 177.20 1ujd n GLU 89 N -2.81 -0.14 -0.28 2.33 1.02 -0.36 -0.63 120.64 119.77 1ujd n GLU 89 Ca -0.03 1.11 -0.07 0.00 -0.02 0.00 0.00 57.16 58.14 1ujd n GLU 89 Cb 0.09 -1.65 -0.07 0.00 -0.02 0.00 0.00 31.44 29.80 1ujd n GLU 89 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ujd n VAL 90 N -3.70 -0.45 -0.18 2.62 0.31 0.03 -0.29 118.33 116.66 1ujd n VAL 90 Ca 0.01 2.09 -0.07 0.00 -0.01 0.00 0.00 64.34 66.36 1ujd n VAL 90 Cb 0.08 -2.63 -0.06 0.00 -0.91 0.00 0.00 33.84 30.32 1ujd n VAL 90 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1ujd h GLN 91 N 0.00 -0.08 -0.92 5.55 -0.00 -0.39 0.61 115.11 119.88 1ujd h GLN 91 Ca 0.11 0.01 0.27 0.00 -0.00 0.00 0.00 58.65 59.03 1ujd h GLN 91 Cb 0.27 0.02 -0.15 0.00 0.00 0.00 0.00 27.48 27.62 1ujd h GLN 91 CO -0.63 -0.05 0.27 1.03 0.00 0.00 0.00 178.83 179.45 1ujd h SER 92 N -0.08 0.01 -0.68 -0.69 0.87 0.88 2.37 113.55 116.23 1ujd h SER 92 Ca 0.07 0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 1ujd h SER 92 Cb 0.27 0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 1ujd h SER 92 CO -0.47 -0.21 0.33 0.40 -0.53 0.00 0.00 176.83 176.35 1ujd h ILE 93 N 0.17 1.23 0.06 2.23 2.04 0.31 -3.29 117.51 120.25 1ujd h ILE 93 Ca 0.61 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1ujd h ILE 93 Cb 1.30 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1ujd h ILE 93 CO -0.70 0.27 -0.03 0.40 0.00 0.00 0.00 178.15 178.08 1ujd h ILE 94 N 0.95 0.00 -0.19 -0.67 2.04 0.60 -3.40 117.51 116.85 1ujd h ILE 94 Ca 0.23 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1ujd h ILE 94 Cb 0.12 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 1ujd h ILE 94 CO -0.03 0.00 0.06 -0.55 0.00 0.00 0.00 178.15 177.63 1ujd s SER 95 N -3.48 3.57 0.00 1.72 0.15 0.70 -2.44 113.70 113.92 1ujd s SER 95 Ca -0.01 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.96 1ujd s SER 95 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1ujd s SER 95 CO 0.04 -4.51 0.00 1.67 1.20 0.00 0.00 173.24 171.64 1ujd n GLN 96 N 8.37 0.00 -0.46 5.44 7.27 -1.26 -4.65 117.38 132.09 1ujd n GLN 96 Ca 0.43 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 57.21 1ujd n GLN 96 Cb 0.46 0.00 0.24 0.00 2.41 0.00 0.00 30.24 33.35 1ujd n GLN 96 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1ujd n GLN 97 N -1.72 -2.88 -3.53 3.69 1.13 -1.02 -5.06 117.38 107.99 1ujd n GLN 97 Ca 0.00 -0.83 -0.18 0.00 -1.94 0.00 0.00 57.00 54.05 1ujd n GLN 97 Cb 0.00 -1.93 -0.06 0.00 0.11 0.00 0.00 30.24 28.35 1ujd n GLN 97 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ujd s SER 98 N -2.36 -0.66 0.00 1.08 0.15 -1.26 -5.02 113.70 105.63 1ujd s SER 98 Ca 0.63 0.76 0.00 0.00 0.70 0.00 0.00 55.95 58.04 1ujd s SER 98 Cb -0.18 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1ujd s SER 98 CO 0.61 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1ujd n GLY 99 N 1.02 2.26 3.00 9.45 0.00 -1.26 -4.82 105.19 114.84 1ujd n GLY 99 Ca -0.19 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 1ujd n GLY 99 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ujd s GLU 100 N 0.00 0.34 0.01 1.61 1.03 -1.26 -3.41 118.70 117.02 1ujd s GLU 100 Ca 0.00 -0.57 -0.01 0.00 0.03 0.00 0.00 54.97 54.43 1ujd s GLU 100 Cb 0.00 0.13 -0.01 0.00 -0.80 0.00 0.00 34.13 33.45 1ujd s GLU 100 CO 0.00 -0.06 -0.00 0.00 -1.33 0.00 0.00 175.26 173.87 1ujd s ALA 101 N -1.44 0.03 0.26 -0.84 0.00 -0.92 -4.98 121.76 113.87 1ujd s ALA 101 Ca -0.16 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.45 1ujd s ALA 101 Cb -0.10 0.07 -0.06 0.00 0.00 0.00 0.00 23.12 23.03 1ujd s ALA 101 CO -0.01 -0.09 0.55 -2.00 0.00 0.00 0.00 175.76 174.22 1ujd s GLU 102 N -0.78 3.72 -0.00 0.00 2.12 -1.26 -0.51 118.70 121.98 1ujd s GLU 102 Ca -0.09 0.15 -0.13 0.00 0.36 0.00 0.00 54.97 55.26 1ujd s GLU 102 Cb -0.05 -2.64 0.02 0.00 0.26 0.00 0.00 34.13 31.71 1ujd s GLU 102 CO -0.00 0.26 0.26 -1.50 -0.54 0.00 0.00 175.26 173.74 1ujd s ILE 103 N -1.96 0.07 -0.20 -3.70 1.10 -1.25 0.19 121.20 115.45 1ujd s ILE 103 Ca 0.46 -0.57 -0.03 0.00 -0.51 0.00 0.00 60.65 60.01 1ujd s ILE 103 Cb -0.11 -0.62 0.06 0.00 0.15 0.00 0.00 42.46 41.95 1ujd s ILE 103 CO 0.26 -0.31 0.03 0.00 -2.11 0.00 0.00 174.94 172.81 1ujd s VAL 105 N 1.83 2.63 -0.20 0.00 -7.23 -1.21 -0.09 120.40 116.12 1ujd s VAL 105 Ca -0.01 -1.21 -0.22 0.00 -1.81 0.00 0.00 61.98 58.72 1ujd s VAL 105 Cb -0.17 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 1ujd s VAL 105 CO -0.08 0.36 0.70 -0.60 -0.31 0.00 0.00 175.10 175.17 1ujd s ARG 106 N -1.34 4.22 0.10 4.82 3.52 -1.22 -2.68 118.95 126.36 1ujd s ARG 106 Ca 0.14 0.75 -0.27 0.00 -0.13 0.00 0.00 55.73 56.22 1ujd s ARG 106 Cb -0.10 -3.59 -0.10 0.00 -1.56 0.00 0.00 34.95 29.60 1ujd s ARG 106 CO 0.04 -0.31 1.44 -0.07 -0.81 0.00 0.00 175.30 175.60 1ujd h LEU 107 N 8.40 -1.43-10.43 -0.88 3.38 -0.51 -3.42 115.31 110.43 1ujd h LEU 107 Ca -0.29 0.17 -0.43 0.00 0.09 0.00 0.00 57.88 57.42 1ujd h LEU 107 Cb 1.13 0.57 0.17 0.00 0.09 0.00 0.00 40.66 42.62 1ujd h LEU 107 CO 0.80 -0.37 0.20 -0.62 0.09 0.00 0.00 178.44 178.53 1ujd s ASP 108 N -4.46 1.97 0.19 -0.43 2.15 -1.24 -4.89 116.67 109.95 1ujd s ASP 108 Ca -0.12 0.82 0.00 0.00 0.43 0.00 0.00 52.55 53.68 1ujd s ASP 108 Cb 0.06 -1.23 0.00 0.00 -0.30 0.00 0.00 42.92 41.45 1ujd s ASP 108 CO 0.49 -3.49 0.00 -0.11 -0.17 0.00 0.00 175.17 171.89 1ujd n LEU 109 N -4.37 -0.35 0.00 -1.34 0.00 -1.26 -4.93 117.00 104.75 1ujd n LEU 109 Ca 0.10 0.79 0.00 0.00 0.00 0.00 0.00 56.01 56.89 1ujd n LEU 109 Cb 0.59 -1.91 0.00 0.00 0.00 0.00 0.00 43.42 42.10 1ujd n LEU 109 CO 0.51 -1.35 0.00 -3.20 0.00 0.00 0.00 177.39 173.35 1ujd n ASN 110 N -3.01 0.00 -4.75 1.96 5.15 -1.26 -4.90 115.26 108.45 1ujd n ASN 110 Ca -0.01 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.56 1ujd n ASN 110 Cb 0.28 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.48 1ujd n ASN 110 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1ujd s MET 111 N 0.00 4.72 0.24 1.20 -1.94 0.20 -4.99 119.30 118.73 1ujd s MET 111 Ca 0.00 1.63 -0.30 0.00 -1.71 0.00 0.00 55.69 55.31 1ujd s MET 111 Cb 0.00 -3.26 -0.09 0.00 2.01 0.00 0.00 34.83 33.49 1ujd s MET 111 CO 0.00 0.30 1.00 0.45 -0.01 0.00 0.00 175.02 176.76 1ujd s SER 112 N -0.72 7.49 0.00 3.03 0.15 -1.26 -4.31 113.70 118.08 1ujd s SER 112 Ca 0.45 2.05 0.00 0.00 0.70 0.00 0.00 55.95 59.15 1ujd s SER 112 Cb -0.28 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.41 1ujd s SER 112 CO 0.35 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.42 1ujd n GLY 113 N 1.48 3.34 3.80 9.45 0.00 -1.26 -5.03 105.19 116.97 1ujd n GLY 113 Ca -0.01 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1ujd n GLY 113 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujd s PRO 114 N -1.25 3.82 -0.01 1.61 0.04 -1.26 -4.97 135.00 132.98 1ujd s PRO 114 Ca 0.00 1.37 0.12 0.00 0.04 0.00 0.00 61.00 62.53 1ujd s PRO 114 Cb 0.00 -2.12 -0.17 0.00 0.04 0.00 0.00 34.50 32.25 1ujd s PRO 114 CO 0.00 -0.42 0.36 -1.13 0.04 0.00 0.00 177.00 175.86 1ujd n SER 115 N -0.91 1.55 -3.73 6.66 3.41 -1.26 -5.04 113.62 114.29 1ujd n SER 115 Ca 0.09 -0.31 -0.06 0.00 -0.26 0.00 0.00 58.87 58.33 1ujd n SER 115 Cb 0.52 1.34 -0.02 0.00 -0.26 0.00 0.00 64.21 65.80 1ujd n SER 115 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ujd s SER 116 N -2.92 -0.27 0.00 4.04 0.01 -1.26 -5.29 113.70 108.01 1ujd s SER 116 Ca -0.01 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.86 1ujd s SER 116 Cb 0.08 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1ujd s SER 116 CO 0.51 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.73