#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujd h SER 2 N 0.00 -0.38 0.00 1.61 0.02 -2.13 -3.44 113.55 109.23 1ujd h SER 2 Ca 0.00 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 1ujd h SER 2 Cb 0.00 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1ujd h SER 2 CO 0.00 0.07 -0.85 -0.24 -1.14 0.00 0.00 176.83 174.67 1ujd n SER 3 N -5.08 1.04 0.00 3.07 2.88 -1.26 -5.15 113.62 109.12 1ujd n SER 3 Ca -0.07 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1ujd n SER 3 Cb 0.21 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 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 2.66 3.87 3.82 0.46 0.00 -1.26 -5.14 105.19 109.61 1ujd n GLY 4 Ca -0.10 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 44.14 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 5.14 -0.14 1.61 0.01 -1.26 -5.14 113.70 113.92 1ujd s SER 5 Ca 0.00 -0.56 -0.13 0.00 1.31 0.00 0.00 55.95 56.57 1ujd s SER 5 Cb 0.00 -0.93 0.04 0.00 0.21 0.00 0.00 66.02 65.34 1ujd s SER 5 CO 0.00 -0.32 0.38 -0.55 0.41 0.00 0.00 173.24 173.15 1ujd s SER 6 N -3.95 -0.39 0.89 2.44 0.15 -1.26 -5.17 113.70 106.42 1ujd s SER 6 Ca 0.40 0.76 -0.12 0.00 0.70 0.00 0.00 55.95 57.68 1ujd s SER 6 Cb -0.05 0.77 0.18 0.00 -1.71 0.00 0.00 66.02 65.20 1ujd s SER 6 CO 0.25 -0.13 1.23 -0.83 1.20 0.00 0.00 173.24 174.97 1ujd s GLY 7 N 0.21 1.77 -0.27 9.45 0.00 -1.26 -5.11 107.32 112.11 1ujd s GLY 7 Ca -0.00 -1.32 -0.18 0.00 0.00 0.00 0.00 44.72 43.22 1ujd s GLY 7 CO 0.00 -0.61 0.69 -1.58 0.00 0.00 0.00 173.10 171.60 1ujd s HIS 8 N -3.69 -0.98 1.00 1.90 2.46 -1.26 -5.16 115.29 109.57 1ujd s HIS 8 Ca 0.72 2.05 -0.12 0.00 0.47 0.00 0.00 55.06 58.18 1ujd s HIS 8 Cb -0.04 0.53 0.19 0.00 -0.13 0.00 0.00 32.58 33.13 1ujd s HIS 8 CO 0.51 -0.48 1.08 0.71 -2.47 0.00 0.00 174.74 174.09 1ujd s TYR 9 N 1.29 1.73 0.26 3.88 2.02 -1.26 -4.91 117.35 120.36 1ujd s TYR 9 Ca -0.07 1.40 0.21 0.00 -0.37 0.00 0.00 57.07 58.24 1ujd s TYR 9 Cb -0.05 -3.19 0.91 0.00 -0.40 0.00 0.00 41.96 39.23 1ujd s TYR 9 CO -0.14 -3.09 1.85 -0.84 -1.57 0.00 0.00 175.55 171.76 1ujd h ILE 10 N -2.06 0.81 -2.10 2.71 3.07 -2.04 -3.44 117.51 114.46 1ujd h ILE 10 Ca -0.52 -1.17 -0.45 0.00 1.55 0.00 0.00 64.86 64.26 1ujd h ILE 10 Cb 1.30 1.72 -0.00 0.00 -0.27 0.00 0.00 36.82 39.57 1ujd h ILE 10 CO 0.49 0.28 -0.37 0.72 -1.05 0.00 0.00 178.15 178.22 1ujd s PHE 11 N -3.85 3.32 -0.22 0.16 -0.71 -1.26 -5.05 117.98 110.36 1ujd s PHE 11 Ca -0.01 -0.06 -0.29 0.00 -1.04 0.00 0.00 56.93 55.53 1ujd s PHE 11 Cb 0.12 -1.79 -0.01 0.00 -1.21 0.00 0.00 43.02 40.13 1ujd s PHE 11 CO 0.66 0.21 1.31 -1.25 -1.34 0.00 0.00 175.22 174.81 1ujd s PRO 12 N -4.10 4.07 0.26 1.99 0.04 -1.26 -4.99 135.00 131.01 1ujd s PRO 12 Ca 0.39 1.50 0.01 0.00 0.04 0.00 0.00 61.00 62.94 1ujd s PRO 12 Cb -0.09 -3.83 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 1ujd s PRO 12 CO 0.31 -0.92 0.22 -3.38 0.04 0.00 0.00 177.00 173.27 1ujd s HIS 13 N 3.98 1.30 -0.09 0.56 -3.43 -1.26 0.29 115.29 116.63 1ujd s HIS 13 Ca 0.57 -1.43 -0.13 0.00 -0.80 0.00 0.00 55.06 53.27 1ujd s HIS 13 Cb -0.20 -0.53 0.03 0.00 -1.43 0.00 0.00 32.58 30.45 1ujd s HIS 13 CO 0.19 -0.77 0.34 0.00 -2.00 0.00 0.00 174.74 172.50 1ujd s ALA 14 N -3.84 -0.85 -0.42 -1.38 0.00 -1.08 -4.84 121.76 109.35 1ujd s ALA 14 Ca 0.38 0.76 -0.05 0.00 0.00 0.00 0.00 51.96 53.05 1ujd s ALA 14 Cb 0.04 -0.34 0.10 0.00 0.00 0.00 0.00 23.12 22.93 1ujd s ALA 14 CO 0.18 -0.20 0.24 1.03 0.00 0.00 0.00 175.76 177.00 1ujd s ARG 15 N -0.36 2.22 -0.29 0.00 0.52 -1.26 -3.47 118.95 116.32 1ujd s ARG 15 Ca -0.05 -1.73 0.01 0.00 -0.52 0.00 0.00 55.73 53.44 1ujd s ARG 15 Cb -0.03 -3.67 0.06 0.00 0.52 0.00 0.00 34.95 31.82 1ujd s ARG 15 CO 0.02 -1.06 -0.04 0.42 0.02 0.00 0.00 175.30 174.65 1ujd s ILE 16 N 1.24 2.59 -0.07 1.52 1.09 -1.23 -5.01 121.20 121.33 1ujd s ILE 16 Ca 0.06 -1.56 -0.25 0.00 -1.10 0.00 0.00 60.65 57.80 1ujd s ILE 16 Cb -0.24 -2.53 -0.03 0.00 -1.06 0.00 0.00 42.46 38.61 1ujd s ILE 16 CO -0.02 -0.10 0.79 -0.75 -0.10 0.00 0.00 174.94 174.75 1ujd s LYS 17 N 1.16 4.44 -0.17 2.79 2.36 -1.26 -3.80 119.74 125.26 1ujd s LYS 17 Ca -0.06 1.03 -0.29 0.00 -2.55 0.00 0.00 55.97 54.10 1ujd s LYS 17 Cb -0.20 -3.47 -0.01 0.00 -1.05 0.00 0.00 37.83 33.10 1ujd s LYS 17 CO -0.03 -0.03 1.18 0.42 1.55 0.00 0.00 175.35 178.43 1ujd s ILE 18 N 1.09 4.42 -0.13 5.43 1.01 -0.22 -4.88 121.20 127.92 1ujd s ILE 18 Ca 0.41 1.72 -0.05 0.00 0.00 0.00 0.00 60.65 62.74 1ujd s ILE 18 Cb -0.18 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 1ujd s ILE 18 CO 0.19 -0.13 0.03 0.42 0.00 0.00 0.00 174.94 175.46 1ujd s THR 19 N 3.20 4.57 -0.09 2.92 -4.23 -1.26 -1.37 115.64 119.37 1ujd s THR 19 Ca 0.51 -0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 60.87 1ujd s THR 19 Cb -0.20 -2.99 -0.03 0.00 1.34 0.00 0.00 72.50 70.62 1ujd s THR 19 CO 0.13 0.54 0.01 -0.13 -0.54 0.00 0.00 174.62 174.63 1ujd s ARG 20 N -0.30 3.07 1.09 3.99 0.52 -1.26 -4.91 118.95 121.13 1ujd s ARG 20 Ca 0.08 -0.39 -0.20 0.00 -0.52 0.00 0.00 55.73 54.69 1ujd s ARG 20 Cb -0.12 -2.83 0.04 0.00 0.52 0.00 0.00 34.95 32.56 1ujd s ARG 20 CO 0.02 0.68 -0.33 -0.25 0.02 0.00 0.00 175.30 175.43 1ujd n ASP 21 N 2.23 -2.56 -4.51 0.23 9.92 -1.26 -4.54 116.55 116.06 1ujd n ASP 21 Ca -0.19 -0.13 -0.41 0.00 -0.53 0.00 0.00 54.79 53.54 1ujd n ASP 21 Cb 0.54 -0.83 -0.09 0.00 -0.64 0.00 0.00 41.12 40.09 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 -0.48 1.32 -4.54 -2.24 2.88 -1.26 -4.89 113.62 104.42 1ujd n SER 22 Ca 0.00 -0.06 -0.25 0.00 -1.33 0.00 0.00 58.87 57.23 1ujd n SER 22 Cb 0.63 -1.23 -0.09 0.00 -0.75 0.00 0.00 64.21 62.77 1ujd n SER 22 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1ujd s LYS 23 N 8.33 1.92 0.61 -1.46 2.47 -1.26 -5.10 119.74 125.25 1ujd s LYS 23 Ca 1.17 -1.51 -0.18 0.00 -1.56 0.00 0.00 55.97 53.90 1ujd s LYS 23 Cb -0.78 -1.98 -0.09 0.00 -1.46 0.00 0.00 37.83 33.51 1ujd s LYS 23 CO 0.40 0.38 0.33 -3.47 0.16 0.00 0.00 175.35 173.15 1ujd n ASP 24 N -0.40 -1.83 0.12 1.43 -0.08 -1.26 -4.92 116.55 109.61 1ujd n ASP 24 Ca -0.08 0.66 -0.05 0.00 -1.51 0.00 0.00 54.79 53.82 1ujd n ASP 24 Cb 0.58 -1.10 -0.02 0.00 2.34 0.00 0.00 41.12 42.92 1ujd n ASP 24 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1ujd h HIS 25 N 0.00 -0.29 -2.38 -0.67 -0.00 -1.98 -3.40 115.15 106.43 1ujd h HIS 25 Ca -0.45 -0.01 -0.51 0.00 -0.00 0.00 0.00 60.37 59.41 1ujd h HIS 25 Cb 1.39 0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 28.87 1ujd h HIS 25 CO 0.30 -0.18 -0.47 -0.08 -0.00 0.00 0.00 177.93 177.50 1ujd s THR 26 N -3.26 5.11 0.00 6.26 -1.32 -1.26 -4.66 115.64 116.50 1ujd s THR 26 Ca -0.05 -0.94 0.00 0.00 -1.21 0.00 0.00 61.69 59.50 1ujd s THR 26 Cb 0.00 -3.70 0.00 0.00 -1.51 0.00 0.00 72.50 67.29 1ujd s THR 26 CO 0.14 -0.22 0.00 0.52 -2.21 0.00 0.00 174.62 172.85 1ujd n VAL 27 N -0.95 0.00 0.00 5.08 0.31 -1.26 -4.80 118.33 116.71 1ujd n VAL 27 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1ujd n VAL 27 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 1ujd n VAL 27 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1ujd n SER 28 N 1.93 0.00 -2.34 4.52 2.88 -1.26 -4.73 113.62 114.61 1ujd n SER 28 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1ujd n SER 28 Cb 0.00 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1ujd n SER 28 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujd n GLY 29 N 0.00 -4.09 0.58 0.46 0.00 -1.26 -4.79 105.19 96.08 1ujd n GLY 29 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 0.68 0.00 -1.28 1.61 2.85 -1.26 -5.09 115.26 112.77 1ujd n ASN 30 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 1ujd n ASN 30 Cb 0.12 0.14 0.00 0.00 1.24 0.00 0.00 39.78 41.28 1ujd n ASN 30 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ujd n GLY 31 N -1.12 -4.53 0.00 8.20 0.00 -1.26 -4.86 105.19 101.62 1ujd n GLY 31 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.70 0.00 0.00 0.99 4.32 -1.26 -4.96 117.00 116.79 1ujd n LEU 32 Ca 0.00 0.94 0.00 0.00 -0.02 0.00 0.00 56.01 56.93 1ujd n LEU 32 Cb 0.00 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.36 1ujd n LEU 32 CO 0.00 -0.44 0.00 0.61 -1.22 0.00 0.00 177.39 176.34 1ujd n GLY 33 N -0.98 1.01 3.49 -0.72 0.00 -1.26 -4.56 105.19 102.18 1ujd n GLY 33 Ca 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.24 -0.30 -0.61 2.07 -1.26 -3.60 121.20 117.26 1ujd s ILE 34 Ca 0.00 0.05 -0.05 0.00 -1.41 0.00 0.00 60.65 59.24 1ujd s ILE 34 Cb 0.00 -0.85 0.03 0.00 0.13 0.00 0.00 42.46 41.77 1ujd s ILE 34 CO 0.00 0.02 0.05 -0.13 -1.91 0.00 0.00 174.94 172.97 1ujd s ARG 35 N 1.88 2.81 -0.11 3.50 1.81 -1.11 -4.93 118.95 122.80 1ujd s ARG 35 Ca -0.08 -1.03 0.03 0.00 -1.72 0.00 0.00 55.73 52.93 1ujd s ARG 35 Cb -0.08 -3.30 0.00 0.00 -0.45 0.00 0.00 34.95 31.12 1ujd s ARG 35 CO -0.17 -0.53 -0.23 0.42 -0.68 0.00 0.00 175.30 174.12 1ujd s ILE 36 N 1.41 2.02 -0.31 1.52 1.01 -1.26 0.14 121.20 125.72 1ujd s ILE 36 Ca -0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 1ujd s ILE 36 Cb -0.18 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 1ujd s ILE 36 CO 0.01 0.55 0.22 -0.69 0.00 0.00 0.00 174.94 175.02 1ujd s VAL 37 N 0.53 5.28 0.16 2.92 1.01 -0.04 -4.76 120.40 125.51 1ujd s VAL 37 Ca -0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.78 1ujd s VAL 37 Cb -0.17 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1ujd s VAL 37 CO 0.05 0.11 0.22 0.61 0.00 0.00 0.00 175.10 176.08 1ujd n GLY 38 N 5.08 0.30 2.24 4.51 0.00 -1.26 -1.93 105.19 114.13 1ujd n GLY 38 Ca -0.13 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 1ujd n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ujd n GLY 39 N 3.41 1.20 3.85 -0.02 0.00 -1.09 -3.72 105.19 108.82 1ujd n GLY 39 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.98 3.97 0.00 1.61 2.47 0.18 -4.81 119.74 120.18 1ujd s LYS 40 Ca 0.00 0.49 -0.30 0.00 -1.56 0.00 0.00 55.97 54.60 1ujd s LYS 40 Cb 0.00 -2.87 -0.04 0.00 -1.46 0.00 0.00 37.83 33.46 1ujd s LYS 40 CO 0.00 0.44 1.19 -2.00 0.16 0.00 0.00 175.35 175.13 1ujd s GLU 41 N -2.13 4.40 0.35 4.03 2.12 -1.26 0.19 118.70 126.40 1ujd s GLU 41 Ca 0.40 1.70 -0.27 0.00 0.36 0.00 0.00 54.97 57.17 1ujd s GLU 41 Cb -0.14 -3.46 -0.09 0.00 0.26 0.00 0.00 34.13 30.70 1ujd s GLU 41 CO 0.19 -0.33 1.14 0.42 -0.54 0.00 0.00 175.26 176.15 1ujd s ILE 42 N 1.60 3.30 -0.93 -3.70 1.01 -1.26 -4.88 121.20 116.35 1ujd s ILE 42 Ca 0.57 1.18 -0.07 0.00 0.00 0.00 0.00 60.65 62.33 1ujd s ILE 42 Cb -0.27 -3.70 -0.10 0.00 0.01 0.00 0.00 42.46 38.40 1ujd s ILE 42 CO 0.26 0.18 2.57 -0.81 0.00 0.00 0.00 174.94 177.14 1ujd n PRO 43 N 0.54 2.47 0.00 2.79 -0.04 -1.26 -4.18 135.00 135.32 1ujd n PRO 43 Ca 0.02 -1.53 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 1ujd n PRO 43 Cb 0.46 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 3.43 1.70 3.49 0.55 0.00 -1.26 -4.94 105.19 108.16 1ujd n GLY 44 Ca 0.53 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1ujd n GLY 44 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ujd n HIS 45 N 0.00 -2.03 -2.37 1.61 1.44 -1.26 -5.06 115.22 107.54 1ujd n HIS 45 Ca 0.00 -1.94 -0.36 0.00 -2.01 0.00 0.00 57.72 53.41 1ujd n HIS 45 Cb 0.00 0.78 0.02 0.00 0.12 0.00 0.00 29.99 30.90 1ujd n HIS 45 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1ujd n SER 46 N -1.55 6.50 -1.96 4.39 7.64 -1.26 -4.83 113.62 122.54 1ujd n SER 46 Ca -0.06 -3.75 -0.01 0.00 1.01 0.00 0.00 58.87 56.06 1ujd n SER 46 Cb 0.57 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1ujd n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 47 N -0.36 -0.66 0.00 0.23 0.00 -1.26 -5.09 105.19 98.05 1ujd n GLY 47 Ca 0.46 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1ujd n GLY 47 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ujd n GLU 48 N -1.03 0.48 -3.59 1.61 4.07 -1.26 -5.13 120.64 115.78 1ujd n GLU 48 Ca 0.01 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.13 1ujd n GLU 48 Cb 0.41 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.73 1ujd n GLU 48 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 1ujd s ILE 49 N 0.48 -0.02 0.00 6.31 -4.36 -1.26 -4.61 121.20 117.74 1ujd s ILE 49 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.39 1ujd s ILE 49 Cb 0.00 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.71 1ujd s ILE 49 CO 0.00 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.79 1ujd n GLY 50 N 3.41 4.28 3.39 6.27 0.00 0.13 0.14 105.19 122.81 1ujd n GLY 50 Ca -0.16 -1.90 -0.29 0.00 0.00 0.00 0.00 46.02 43.67 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 -2.00 2.40 0.04 4.61 0.00 -1.16 -0.65 121.76 125.00 1ujd s ALA 51 Ca 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 51.96 50.52 1ujd s ALA 51 Cb 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1ujd s ALA 51 CO 0.00 0.55 0.02 1.52 0.00 0.00 0.00 175.76 177.85 1ujd s TYR 52 N -1.02 0.34 -0.14 0.00 1.13 -0.81 0.18 117.35 117.02 1ujd s TYR 52 Ca 0.14 -0.74 -0.29 0.00 -1.41 0.00 0.00 57.07 54.77 1ujd s TYR 52 Cb -0.10 -0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 40.47 1ujd s TYR 52 CO 0.06 -0.34 1.67 0.42 -2.51 0.00 0.00 175.55 174.85 1ujd s ILE 53 N -2.91 3.60 -0.12 -3.49 1.01 -1.04 -0.86 121.20 117.38 1ujd s ILE 53 Ca -0.02 0.70 -0.19 0.00 0.00 0.00 0.00 60.65 61.13 1ujd s ILE 53 Cb 0.01 -3.55 -0.17 0.00 0.01 0.00 0.00 42.46 38.76 1ujd s ILE 53 CO -0.06 -0.17 0.52 0.00 0.00 0.00 0.00 174.94 175.23 1ujd h ALA 54 N 10.44 -0.01 -2.50 9.38 0.00 0.89 0.44 119.26 137.91 1ujd h ALA 54 Ca -0.37 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.13 1ujd h ALA 54 Cb 1.17 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 1ujd h ALA 54 CO 0.98 -0.01 -0.15 0.21 0.00 0.00 0.00 179.25 180.27 1ujd s LYS 55 N -2.06 0.56 -0.98 0.00 2.47 -1.18 -4.72 119.74 113.82 1ujd s LYS 55 Ca -0.12 0.77 -0.23 0.00 -1.56 0.00 0.00 55.97 54.82 1ujd s LYS 55 Cb -0.02 0.20 0.03 0.00 -1.46 0.00 0.00 37.83 36.59 1ujd s LYS 55 CO 0.45 -0.10 1.53 0.42 0.16 0.00 0.00 175.35 177.81 1ujd s ILE 56 N 0.65 3.83 0.25 5.43 1.01 -1.26 -2.73 121.20 128.38 1ujd s ILE 56 Ca -0.03 -0.63 -0.23 0.00 0.00 0.00 0.00 60.65 59.76 1ujd s ILE 56 Cb -0.05 -4.87 -0.15 0.00 0.01 0.00 0.00 42.46 37.41 1ujd s ILE 56 CO -0.04 -1.76 0.32 0.18 0.00 0.00 0.00 174.94 173.64 1ujd n LEU 57 N 9.81 -1.71 -4.55 2.97 7.99 -1.24 -4.73 117.00 125.53 1ujd n LEU 57 Ca 0.33 0.92 -0.40 0.00 -0.01 0.00 0.00 56.01 56.85 1ujd n LEU 57 Cb 0.50 -0.84 -0.03 0.00 -0.11 0.00 0.00 43.42 42.94 1ujd n LEU 57 CO 0.65 -3.16 1.38 -2.16 -1.51 0.00 0.00 177.39 172.60 1ujd s PRO 58 N -0.91 2.92 0.29 3.23 0.04 -1.26 -4.47 135.00 134.84 1ujd s PRO 58 Ca 0.57 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1ujd s PRO 58 Cb -0.75 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 29.48 1ujd s PRO 58 CO 0.54 -2.44 0.00 0.41 0.04 0.00 0.00 177.00 175.54 1ujd n GLY 59 N 5.58 -0.84 0.00 0.56 0.00 -1.26 -5.05 105.19 104.17 1ujd n GLY 59 Ca 0.12 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 0.45 1.04 0.07 -0.02 0.00 -1.26 -5.02 105.19 100.43 1ujd n GLY 60 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 0.14 1.61 0.02 -1.90 -3.18 113.55 110.24 1ujd h SER 61 Ca 0.00 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1ujd h SER 61 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ujd h SER 61 CO 0.00 0.86 -1.54 0.00 -1.14 0.00 0.00 176.83 175.01 1ujd n ALA 62 N -2.89 3.34 0.35 3.77 0.00 -1.26 -4.03 120.51 119.78 1ujd n ALA 62 Ca -0.09 -0.50 0.12 0.00 0.00 0.00 0.00 53.44 52.97 1ujd n ALA 62 Cb 0.31 -0.81 0.26 0.00 0.00 0.00 0.00 19.45 19.21 1ujd n ALA 62 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ujd h GLU 63 N 0.00 0.00 0.04 0.00 4.57 -1.86 -3.30 114.58 114.03 1ujd h GLU 63 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ujd h GLU 63 Cb 0.84 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1ujd h GLU 63 CO 0.00 0.00 -0.02 1.96 -1.18 0.00 0.00 179.01 179.77 1ujd h GLN 64 N 0.00 -0.05 -0.89 1.92 1.08 -1.69 -3.31 115.11 112.18 1ujd h GLN 64 Ca 0.00 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.35 1ujd h GLN 64 Cb 0.90 0.01 -0.15 0.00 -0.05 0.00 0.00 27.48 28.19 1ujd h GLN 64 CO 0.00 0.62 -0.32 0.25 -0.95 0.00 0.00 178.83 178.44 1ujd n THR 65 N -4.75 -0.45 0.00 -0.54 -2.24 -1.24 -4.75 114.28 100.31 1ujd n THR 65 Ca -0.08 2.06 0.00 0.00 -2.27 0.00 0.00 64.05 63.76 1ujd n THR 65 Cb 0.34 -2.76 0.00 0.00 -2.10 0.00 0.00 70.33 65.81 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 -1.45 1.76 0.17 3.38 0.00 -1.25 -4.70 105.19 103.10 1ujd n GLY 66 Ca 0.10 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.93 1ujd n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujd h LYS 67 N 0.00 0.00 -6.55 1.61 1.57 -1.89 -3.41 116.57 107.90 1ujd h LYS 67 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1ujd h LYS 67 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1ujd h LYS 67 CO 0.00 0.00 0.07 -0.51 -0.57 0.00 0.00 179.45 178.44 1ujd s LEU 68 N -4.64 4.29 -0.07 2.94 2.01 -1.26 -5.08 118.68 116.87 1ujd s LEU 68 Ca -0.02 1.33 -0.20 0.00 0.01 0.00 0.00 54.13 55.25 1ujd s LEU 68 Cb 0.07 -3.61 0.04 0.00 0.01 0.00 0.00 46.19 42.70 1ujd s LEU 68 CO 0.24 0.00 0.47 -0.04 1.01 0.00 0.00 176.35 178.03 1ujd s MET 69 N -2.15 0.75 0.59 1.70 -1.94 -1.26 -5.04 119.30 111.96 1ujd s MET 69 Ca 0.44 0.18 -0.19 0.00 -1.71 0.00 0.00 55.69 54.40 1ujd s MET 69 Cb -0.15 0.35 -0.03 0.00 2.01 0.00 0.00 34.83 37.01 1ujd s MET 69 CO 0.20 -0.19 1.27 -1.21 -0.01 0.00 0.00 175.02 175.07 1ujd s GLU 70 N -0.85 2.91 0.00 2.03 2.02 -1.26 -2.40 118.70 121.15 1ujd s GLU 70 Ca -0.09 1.99 0.00 0.00 0.02 0.00 0.00 54.97 56.89 1ujd s GLU 70 Cb -0.03 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.20 1ujd s GLU 70 CO 0.05 -1.30 0.00 0.41 0.02 0.00 0.00 175.26 174.44 1ujd n GLY 71 N 0.68 1.94 3.66 -1.39 0.00 0.16 -4.81 105.19 105.42 1ujd n GLY 71 Ca 0.13 0.00 -0.42 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 -0.35 4.14 -0.53 1.61 -1.94 -1.01 0.76 119.30 121.98 1ujd s MET 72 Ca 0.00 2.45 -0.27 0.00 -1.71 0.00 0.00 55.69 56.16 1ujd s MET 72 Cb 0.00 -4.10 -0.04 0.00 2.01 0.00 0.00 34.83 32.70 1ujd s MET 72 CO 0.00 -0.94 2.03 -1.14 -0.01 0.00 0.00 175.02 174.96 1ujd s GLN 73 N 4.35 2.56 -0.36 2.03 0.74 -1.26 -2.51 119.66 125.21 1ujd s GLN 73 Ca 0.83 0.99 -0.29 0.00 0.05 0.00 0.00 55.36 56.94 1ujd s GLN 73 Cb -0.39 -4.43 -0.00 0.00 1.10 0.00 0.00 33.01 29.29 1ujd s GLN 73 CO 0.37 -2.79 1.55 0.08 -0.55 0.00 0.00 175.29 173.95 1ujd s VAL 74 N 9.78 3.76 -0.07 1.34 1.01 0.47 -3.75 120.40 132.95 1ujd s VAL 74 Ca 0.79 0.79 -0.20 0.00 0.00 0.00 0.00 61.98 63.36 1ujd s VAL 74 Cb -0.16 -3.98 -0.15 0.00 0.00 0.00 0.00 36.38 32.09 1ujd s VAL 74 CO 0.24 -0.59 0.77 -0.07 0.00 0.00 0.00 175.10 175.45 1ujd h LEU 75 N 12.54 -0.14 -8.21 3.92 3.38 -1.61 -3.33 115.31 121.86 1ujd h LEU 75 Ca -0.30 -0.40 -0.12 0.00 0.09 0.00 0.00 57.88 57.15 1ujd h LEU 75 Cb 1.13 0.04 -0.15 0.00 0.09 0.00 0.00 40.66 41.76 1ujd h LEU 75 CO 1.06 0.47 -0.66 -1.61 0.09 0.00 0.00 178.44 177.78 1ujd s GLU 76 N -3.08 0.62 -0.07 1.13 2.02 -1.25 -2.20 118.70 115.87 1ujd s GLU 76 Ca -0.12 -1.19 -0.03 0.00 0.02 0.00 0.00 54.97 53.65 1ujd s GLU 76 Cb -0.00 0.21 0.04 0.00 0.10 0.00 0.00 34.13 34.48 1ujd s GLU 76 CO 0.46 -0.12 0.07 -0.46 0.02 0.00 0.00 175.26 175.23 1ujd s TRP 77 N -3.86 0.08 -1.80 1.61 -0.11 0.23 -1.86 118.94 113.22 1ujd s TRP 77 Ca 0.06 0.15 0.00 0.00 1.22 0.00 0.00 56.10 57.54 1ujd s TRP 77 Cb 0.07 -0.52 0.00 0.00 -1.50 0.00 0.00 33.47 31.53 1ujd s TRP 77 CO -0.10 -0.26 0.00 0.09 -4.62 0.00 0.00 176.95 172.07 1ujd n ASN 78 N 5.30 -5.91 0.00 5.86 3.02 0.26 -1.60 115.26 122.18 1ujd n ASN 78 Ca -0.04 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 1ujd n ASN 78 Cb 0.50 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.74 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 -1.00 2.53 3.70 7.41 0.00 -1.26 -4.94 105.19 111.63 1ujd n GLY 79 Ca -0.25 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.51 3.29 0.62 -0.61 1.09 -0.63 -4.93 121.20 119.53 1ujd s ILE 80 Ca 0.00 0.82 -0.14 0.00 -1.10 0.00 0.00 60.65 60.23 1ujd s ILE 80 Cb 0.00 -3.53 -0.02 0.00 -1.06 0.00 0.00 42.46 37.85 1ujd s ILE 80 CO 0.00 0.03 1.05 -2.16 -0.10 0.00 0.00 174.94 173.76 1ujd s PRO 81 N 1.92 3.24 -0.23 2.79 0.04 -1.26 0.75 135.00 142.25 1ujd s PRO 81 Ca 0.67 1.09 0.11 0.00 0.04 0.00 0.00 61.00 62.91 1ujd s PRO 81 Cb -0.37 -2.03 0.44 0.00 0.04 0.00 0.00 34.50 32.59 1ujd s PRO 81 CO 0.30 -0.86 1.20 1.28 0.04 0.00 0.00 177.00 178.95 1ujd n LEU 82 N -2.40 3.43 -4.73 -3.56 4.77 -0.93 -4.82 117.00 108.75 1ujd n LEU 82 Ca 0.08 -4.06 -0.35 0.00 -0.03 0.00 0.00 56.01 51.65 1ujd n LEU 82 Cb 0.53 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1ujd n LEU 82 CO 0.50 1.61 -0.27 -0.89 -1.33 0.00 0.00 177.39 177.01 1ujd s THR 83 N -3.61 4.67 -1.13 -5.08 2.01 -1.26 -2.99 115.64 108.26 1ujd s THR 83 Ca 0.42 -0.11 -0.07 0.00 0.31 0.00 0.00 61.69 62.25 1ujd s THR 83 Cb 0.38 -3.00 0.01 0.00 0.01 0.00 0.00 72.50 69.91 1ujd s THR 83 CO -0.03 0.60 0.88 -0.24 -0.69 0.00 0.00 174.62 175.14 1ujd n SER 84 N 2.18 -5.52 -2.36 3.53 2.88 0.38 -4.99 113.62 109.72 1ujd n SER 84 Ca -0.19 -0.40 -0.07 0.00 -1.33 0.00 0.00 58.87 56.88 1ujd n SER 84 Cb 0.54 -4.17 -0.02 0.00 -0.75 0.00 0.00 64.21 59.82 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 -4.02 1.30 -4.28 -1.46 4.76 -1.26 -5.04 118.16 108.17 1ujd n LYS 85 Ca -0.01 -0.87 -0.21 0.00 -2.87 0.00 0.00 58.31 54.36 1ujd n LYS 85 Cb 0.56 0.34 -0.12 0.00 -1.84 0.00 0.00 35.03 33.97 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 -1.66 1.59 0.20 -0.18 -4.23 -1.26 -2.91 115.64 107.19 1ujd s THR 86 Ca 0.02 -1.72 -0.15 0.00 -1.18 0.00 0.00 61.69 58.66 1ujd s THR 86 Cb 0.00 -1.62 0.21 0.00 1.34 0.00 0.00 72.50 72.42 1ujd s THR 86 CO 0.02 -0.28 1.32 0.00 -0.54 0.00 0.00 174.62 175.14 1ujd n TYR 87 N 0.62 0.03 0.00 3.99 4.19 -1.24 -0.43 117.16 124.32 1ujd n TYR 87 Ca -0.16 1.05 0.00 0.00 3.31 0.00 0.00 57.90 62.10 1ujd n TYR 87 Cb 0.56 -0.82 0.00 0.00 0.49 0.00 0.00 39.34 39.57 1ujd n TYR 87 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1ujd n GLU 88 N -5.26 0.00 -0.15 2.98 -0.58 -1.26 -0.66 120.64 115.71 1ujd n GLU 88 Ca 0.09 0.54 -0.04 0.00 -0.42 0.00 0.00 57.16 57.32 1ujd n GLU 88 Cb 0.34 -1.39 -0.04 0.00 -0.57 0.00 0.00 31.44 29.79 1ujd n GLU 88 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ujd n GLU 89 N -1.93 -0.16 -0.37 3.49 1.02 -0.56 -0.41 120.64 121.72 1ujd n GLU 89 Ca 0.00 1.07 -0.10 0.00 -0.02 0.00 0.00 57.16 58.11 1ujd n GLU 89 Cb 0.00 -1.59 -0.09 0.00 -0.02 0.00 0.00 31.44 29.74 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 -0.92 2.62 2.07 -0.73 1.08 116.25 120.37 1ujd h VAL 90 Ca 0.06 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.84 1ujd h VAL 90 Cb 0.15 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.78 1ujd h VAL 90 CO -0.34 0.00 0.35 -0.61 0.02 0.00 0.00 177.57 176.98 1ujd h GLN 91 N -0.03 0.25 -0.49 1.57 4.15 0.16 1.45 115.11 122.17 1ujd h GLN 91 Ca 0.14 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1ujd h GLN 91 Cb 0.39 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1ujd h GLN 91 CO -0.84 0.16 0.24 1.03 -1.93 0.00 0.00 178.83 177.49 1ujd h SER 92 N 0.25 0.61 -0.06 -0.69 0.87 0.38 1.98 113.55 116.90 1ujd h SER 92 Ca 0.61 -0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.96 1ujd h SER 92 Cb 1.28 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1ujd h SER 92 CO -0.64 0.52 -0.52 0.40 -0.53 0.00 0.00 176.83 176.07 1ujd h ILE 93 N 0.68 1.31 0.00 2.23 2.04 0.39 -3.36 117.51 120.81 1ujd h ILE 93 Ca 0.17 -1.74 0.00 0.00 1.00 0.00 0.00 64.86 64.29 1ujd h ILE 93 Cb 0.07 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1ujd h ILE 93 CO -0.02 0.55 -0.00 0.40 0.00 0.00 0.00 178.15 179.07 1ujd h ILE 94 N 0.49 0.00 -2.10 -0.67 2.04 0.28 -3.47 117.51 114.07 1ujd h ILE 94 Ca 0.02 -0.01 -0.56 0.00 1.00 0.00 0.00 64.86 65.31 1ujd h ILE 94 Cb 1.07 0.00 0.23 0.00 -0.74 0.00 0.00 36.82 37.38 1ujd h ILE 94 CO 0.10 0.00 -1.64 -1.54 0.00 0.00 0.00 178.15 175.07 1ujd n SER 95 N -2.07 -5.30 -2.09 1.72 3.41 0.66 -4.15 113.62 105.80 1ujd n SER 95 Ca -0.00 0.28 -0.02 0.00 -0.26 0.00 0.00 58.87 58.87 1ujd n SER 95 Cb 0.00 -0.81 0.01 0.00 -0.26 0.00 0.00 64.21 63.15 1ujd n SER 95 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1ujd n GLN 96 N 2.02 -0.61 -4.43 4.33 -0.06 -1.26 -4.79 117.38 112.58 1ujd n GLN 96 Ca 0.01 0.66 -0.21 0.00 -2.00 0.00 0.00 57.00 55.45 1ujd n GLN 96 Cb 0.54 -3.06 -0.10 0.00 -4.06 0.00 0.00 30.24 23.55 1ujd n GLN 96 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1ujd s GLN 97 N -3.19 1.58 -0.29 3.69 0.00 -1.26 -5.10 119.66 115.09 1ujd s GLN 97 Ca 0.06 -1.84 0.05 0.00 -0.00 0.00 0.00 55.36 53.63 1ujd s GLN 97 Cb -0.01 -0.97 0.18 0.00 0.00 0.00 0.00 33.01 32.22 1ujd s GLN 97 CO 0.27 -0.08 0.52 -1.54 0.00 0.00 0.00 175.29 174.46 1ujd s SER 98 N -3.45 -0.85 0.00 12.60 1.04 -1.26 -4.86 113.70 116.92 1ujd s SER 98 Ca 0.32 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.71 1ujd s SER 98 Cb 0.06 1.67 0.00 0.00 0.10 0.00 0.00 66.02 67.86 1ujd s SER 98 CO 0.13 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.64 1ujd n GLY 99 N 5.38 0.25 1.82 7.32 0.00 -1.26 -5.00 105.19 113.70 1ujd n GLY 99 Ca 0.03 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.05 1ujd n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ujd n GLU 100 N 0.00 -3.45 -3.39 1.61 4.71 -1.26 -4.69 120.64 114.18 1ujd n GLU 100 Ca 0.00 -0.85 0.02 0.00 -0.01 0.00 0.00 57.16 56.32 1ujd n GLU 100 Cb 0.00 -1.05 -0.05 0.00 -1.01 0.00 0.00 31.44 29.33 1ujd n GLU 100 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ujd s ALA 101 N -2.20 -2.86 0.30 0.62 0.00 -0.47 -4.97 121.76 112.18 1ujd s ALA 101 Ca 0.38 1.97 -0.28 0.00 0.00 0.00 0.00 51.96 54.03 1ujd s ALA 101 Cb -0.06 -2.09 -0.09 0.00 0.00 0.00 0.00 23.12 20.88 1ujd s ALA 101 CO 0.32 -0.79 0.99 -2.00 0.00 0.00 0.00 175.76 174.28 1ujd s GLU 102 N 1.96 4.62 0.04 0.00 2.12 -1.26 -1.05 118.70 125.13 1ujd s GLU 102 Ca -0.03 1.50 0.00 0.00 0.36 0.00 0.00 54.97 56.80 1ujd s GLU 102 Cb -0.03 -2.99 -0.03 0.00 0.26 0.00 0.00 34.13 31.34 1ujd s GLU 102 CO -0.16 0.28 -0.04 -1.50 -0.54 0.00 0.00 175.26 173.30 1ujd s ILE 103 N -1.39 0.29 -0.06 -3.70 1.10 -1.25 0.90 121.20 117.09 1ujd s ILE 103 Ca 0.47 -1.29 0.00 0.00 -0.51 0.00 0.00 60.65 59.33 1ujd s ILE 103 Cb -0.24 -0.81 0.02 0.00 0.15 0.00 0.00 42.46 41.58 1ujd s ILE 103 CO 0.30 -0.64 -0.04 0.00 -2.11 0.00 0.00 174.94 172.45 1ujd s VAL 105 N 1.31 0.50 -0.22 0.00 -7.23 -1.23 -1.82 120.40 111.72 1ujd s VAL 105 Ca -0.05 -0.78 -0.19 0.00 -1.81 0.00 0.00 61.98 59.15 1ujd s VAL 105 Cb -0.14 -0.52 -0.03 0.00 0.56 0.00 0.00 36.38 36.25 1ujd s VAL 105 CO -0.02 -0.20 0.55 -0.60 -0.31 0.00 0.00 175.10 174.51 1ujd s ARG 106 N -1.07 4.16 0.07 4.82 3.52 -1.25 -2.63 118.95 126.57 1ujd s ARG 106 Ca -0.06 0.44 -0.18 0.00 -0.13 0.00 0.00 55.73 55.80 1ujd s ARG 106 Cb -0.07 -3.60 -0.06 0.00 -1.56 0.00 0.00 34.95 29.66 1ujd s ARG 106 CO 0.00 -0.24 1.30 -0.07 -0.81 0.00 0.00 175.30 175.48 1ujd h LEU 107 N 8.29 -1.01-10.46 -0.88 3.38 -0.49 -3.42 115.31 110.73 1ujd h LEU 107 Ca -0.31 0.13 -0.43 0.00 0.09 0.00 0.00 57.88 57.36 1ujd h LEU 107 Cb 1.15 0.41 0.17 0.00 0.09 0.00 0.00 40.66 42.48 1ujd h LEU 107 CO 0.74 -0.23 0.20 -0.62 0.09 0.00 0.00 178.44 178.63 1ujd s ASP 108 N -3.96 1.85 0.43 -0.43 2.15 -1.25 -4.86 116.67 110.60 1ujd s ASP 108 Ca -0.08 0.72 0.00 0.00 0.43 0.00 0.00 52.55 53.62 1ujd s ASP 108 Cb 0.04 -1.06 0.00 0.00 -0.30 0.00 0.00 42.92 41.60 1ujd s ASP 108 CO 0.33 -3.56 0.00 -0.11 -0.17 0.00 0.00 175.17 171.66 1ujd n LEU 109 N -4.40 -3.00 -3.68 -1.34 7.94 -1.26 -4.91 117.00 106.35 1ujd n LEU 109 Ca 0.11 2.72 -0.10 0.00 -1.11 0.00 0.00 56.01 57.64 1ujd n LEU 109 Cb 0.59 -2.52 -0.09 0.00 0.53 0.00 0.00 43.42 41.92 1ujd n LEU 109 CO 0.49 0.17 0.17 0.21 -1.11 0.00 0.00 177.39 177.32 1ujd s ASN 110 N -2.92 -0.66 -0.20 1.96 3.84 -1.26 -4.65 114.94 111.05 1ujd s ASN 110 Ca 0.00 1.12 -0.29 0.00 0.21 0.00 0.00 52.86 53.90 1ujd s ASN 110 Cb 0.00 1.01 -0.01 0.00 -0.55 0.00 0.00 41.25 41.70 1ujd s ASN 110 CO 0.00 -0.21 1.28 -0.04 -2.79 0.00 0.00 177.10 175.35 1ujd s MET 111 N 1.35 4.14 -0.48 0.43 -1.94 0.23 -4.89 119.30 118.15 1ujd s MET 111 Ca -0.09 1.56 -0.45 0.00 -1.71 0.00 0.00 55.69 55.01 1ujd s MET 111 Cb -0.07 -3.80 -0.19 0.00 2.01 0.00 0.00 34.83 32.78 1ujd s MET 111 CO -0.14 -0.83 1.88 0.43 -0.01 0.00 0.00 175.02 176.36 1ujd n SER 112 N 6.92 1.13 -4.60 3.03 7.64 -1.26 -4.38 113.62 122.10 1ujd n SER 112 Ca 0.14 0.92 -0.42 0.00 1.01 0.00 0.00 58.87 60.51 1ujd n SER 112 Cb 0.45 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 1ujd n SER 112 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 113 N 5.70 -0.28 3.80 0.23 0.00 -1.26 -4.96 105.19 108.43 1ujd n GLY 113 Ca 0.42 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.83 2.10 -0.02 1.61 0.04 -1.26 -5.08 135.00 130.56 1ujd s PRO 114 Ca 0.61 0.64 -0.02 0.00 0.04 0.00 0.00 61.00 62.27 1ujd s PRO 114 Cb -0.61 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1ujd s PRO 114 CO 0.58 -1.61 0.06 0.45 0.04 0.00 0.00 177.00 176.52 1ujd s SER 115 N -3.90 -0.05 -0.21 6.66 0.15 -1.26 -5.14 113.70 109.95 1ujd s SER 115 Ca 0.61 0.09 -0.01 0.00 0.70 0.00 0.00 55.95 57.34 1ujd s SER 115 Cb -0.14 0.12 0.01 0.00 -1.71 0.00 0.00 66.02 64.30 1ujd s SER 115 CO 0.54 -0.04 -0.12 -0.44 1.20 0.00 0.00 173.24 174.38 1ujd s SER 116 N -0.05 3.75 0.00 5.45 0.01 -1.26 -5.34 113.70 116.26 1ujd s SER 116 Ca -0.01 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.65 1ujd s SER 116 Cb -0.01 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.62 1ujd s SER 116 CO 0.00 -0.03 0.45 0.61 0.41 0.00 0.00 173.24 174.68