#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 2.35 -0.44 1.61 0.01 -1.26 -5.07 113.70 110.91 1ujd s SER 2 Ca 0.00 -0.39 0.06 0.00 1.31 0.00 0.00 55.95 56.93 1ujd s SER 2 Cb 0.00 -0.79 0.21 0.00 0.21 0.00 0.00 66.02 65.65 1ujd s SER 2 CO 0.00 0.15 0.54 -0.24 0.41 0.00 0.00 173.24 174.10 1ujd n SER 3 N 3.29 -1.24 0.00 2.44 2.88 -1.26 -5.01 113.62 114.72 1ujd n SER 3 Ca -0.19 -2.70 0.00 0.00 -1.33 0.00 0.00 58.87 54.65 1ujd n SER 3 Cb 0.53 0.22 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 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 2.29 -0.38 3.69 0.46 0.00 -1.26 -5.12 105.19 104.87 1ujd n GLY 4 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.37 -0.18 -0.29 1.61 0.01 -1.26 -5.17 113.70 106.04 1ujd s SER 5 Ca 0.00 -0.75 -0.16 0.00 1.31 0.00 0.00 55.95 56.35 1ujd s SER 5 Cb 0.00 0.64 0.15 0.00 0.21 0.00 0.00 66.02 67.02 1ujd s SER 5 CO 0.00 -1.21 0.98 -0.55 0.41 0.00 0.00 173.24 172.87 1ujd s SER 6 N -2.96 -0.51 0.00 2.44 0.15 -1.26 -5.18 113.70 106.38 1ujd s SER 6 Ca 0.16 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1ujd s SER 6 Cb -0.03 1.26 0.00 0.00 -1.71 0.00 0.00 66.02 65.55 1ujd s SER 6 CO 0.07 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1ujd n GLY 7 N 3.86 5.44 2.19 9.45 0.00 -1.26 -5.09 105.19 119.77 1ujd n GLY 7 Ca -0.17 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1ujd n GLY 7 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1ujd n HIS 8 N 0.00 -4.23 -3.65 1.61 -0.00 -1.26 -5.16 115.22 102.53 1ujd n HIS 8 Ca 0.00 1.31 -0.10 0.00 -0.00 0.00 0.00 57.72 58.93 1ujd n HIS 8 Cb 0.00 3.29 -0.05 0.00 -0.00 0.00 0.00 29.99 33.23 1ujd n HIS 8 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1ujd s TYR 9 N -2.00 -0.19 -0.98 -1.40 2.02 -1.26 -5.01 117.35 108.53 1ujd s TYR 9 Ca 0.00 -0.12 0.15 0.00 -0.37 0.00 0.00 57.07 56.74 1ujd s TYR 9 Cb 0.00 0.24 0.65 0.00 -0.40 0.00 0.00 41.96 42.45 1ujd s TYR 9 CO 0.00 -0.68 1.49 0.44 -1.57 0.00 0.00 175.55 175.22 1ujd n ILE 10 N -0.17 0.96 -4.34 2.71 -6.64 -1.26 -4.72 119.36 105.91 1ujd n ILE 10 Ca -0.16 0.24 -0.24 0.00 -1.77 0.00 0.00 62.75 60.82 1ujd n ILE 10 Cb 0.63 -0.99 -0.08 0.00 -1.44 0.00 0.00 39.64 37.76 1ujd n ILE 10 CO 0.00 0.00 0.00 0.72 -1.77 0.00 0.00 176.55 175.50 1ujd s PHE 11 N -3.01 2.55 -0.19 4.28 -0.12 -1.26 -5.09 117.98 115.14 1ujd s PHE 11 Ca 0.07 -0.38 -0.29 0.00 -0.05 0.00 0.00 56.93 56.28 1ujd s PHE 11 Cb 0.10 -1.37 -0.01 0.00 -0.63 0.00 0.00 43.02 41.11 1ujd s PHE 11 CO 0.28 0.54 1.29 -1.25 -0.05 0.00 0.00 175.22 176.02 1ujd s PRO 12 N -3.68 4.16 0.31 1.99 0.04 -1.26 -5.00 135.00 131.56 1ujd s PRO 12 Ca 0.34 1.60 0.03 0.00 0.04 0.00 0.00 61.00 63.01 1ujd s PRO 12 Cb -0.02 -3.80 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 1ujd s PRO 12 CO 0.19 -0.80 0.17 -3.38 0.04 0.00 0.00 177.00 173.21 1ujd s HIS 13 N 3.72 1.60 -0.02 0.56 -3.43 -1.26 -0.76 115.29 115.71 1ujd s HIS 13 Ca 0.56 -1.39 -0.18 0.00 -0.80 0.00 0.00 55.06 53.24 1ujd s HIS 13 Cb -0.21 -0.85 0.03 0.00 -1.43 0.00 0.00 32.58 30.13 1ujd s HIS 13 CO 0.17 -0.55 0.39 0.00 -2.00 0.00 0.00 174.74 172.76 1ujd s ALA 14 N -3.60 -1.00 -0.41 -1.38 0.00 -1.24 -4.89 121.76 109.24 1ujd s ALA 14 Ca 0.36 0.52 0.03 0.00 0.00 0.00 0.00 51.96 52.87 1ujd s ALA 14 Cb 0.05 0.08 0.12 0.00 0.00 0.00 0.00 23.12 23.37 1ujd s ALA 14 CO 0.18 -0.30 0.16 1.03 0.00 0.00 0.00 175.76 176.83 1ujd s ARG 15 N -1.40 1.50 -0.20 0.00 0.52 -1.26 -3.57 118.95 114.53 1ujd s ARG 15 Ca -0.12 -2.03 -0.01 0.00 -0.52 0.00 0.00 55.73 53.05 1ujd s ARG 15 Cb -0.04 -2.92 0.01 0.00 0.52 0.00 0.00 34.95 32.52 1ujd s ARG 15 CO 0.05 -1.04 -0.12 0.42 0.02 0.00 0.00 175.30 174.63 1ujd s ILE 16 N 0.53 2.68 -0.03 1.52 1.09 -1.23 -5.00 121.20 120.76 1ujd s ILE 16 Ca 0.14 -0.73 -0.21 0.00 -1.10 0.00 0.00 60.65 58.74 1ujd s ILE 16 Cb -0.22 -2.18 -0.05 0.00 -1.06 0.00 0.00 42.46 38.95 1ujd s ILE 16 CO -0.06 0.48 0.62 -1.59 -0.10 0.00 0.00 174.94 174.29 1ujd s LYS 17 N 1.38 4.37 -0.19 2.79 0.00 -1.26 -3.68 119.74 123.14 1ujd s LYS 17 Ca 0.05 0.77 -0.29 0.00 0.00 0.00 0.00 55.97 56.50 1ujd s LYS 17 Cb -0.14 -3.38 -0.01 0.00 0.00 0.00 0.00 37.83 34.31 1ujd s LYS 17 CO -0.08 0.26 1.19 0.42 0.00 0.00 0.00 175.35 177.14 1ujd s ILE 18 N 0.18 4.40 -0.13 3.79 1.01 0.72 -4.88 121.20 126.28 1ujd s ILE 18 Ca 0.33 1.68 -0.02 0.00 0.00 0.00 0.00 60.65 62.64 1ujd s ILE 18 Cb -0.18 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.16 1ujd s ILE 18 CO 0.17 -0.17 -0.08 0.42 0.00 0.00 0.00 174.94 175.28 1ujd s THR 19 N 3.45 3.52 -0.35 2.92 -4.23 -1.26 -1.65 115.64 118.04 1ujd s THR 19 Ca 0.51 -0.50 -0.17 0.00 -1.18 0.00 0.00 61.69 60.36 1ujd s THR 19 Cb -0.19 -2.51 -0.00 0.00 1.34 0.00 0.00 72.50 71.14 1ujd s THR 19 CO 0.12 0.52 0.46 -0.60 -0.54 0.00 0.00 174.62 174.58 1ujd s ARG 20 N 0.22 3.56 -0.30 3.99 6.06 -1.26 -4.98 118.95 126.24 1ujd s ARG 20 Ca -0.05 -0.29 -0.12 0.00 -2.50 0.00 0.00 55.73 52.76 1ujd s ARG 20 Cb -0.14 -3.82 0.18 0.00 0.06 0.00 0.00 34.95 31.22 1ujd s ARG 20 CO 0.04 -0.62 1.03 -0.51 -2.50 0.00 0.00 175.30 172.74 1ujd s ASP 21 N 1.76 -0.49 0.07 -2.12 1.11 -1.26 -4.97 116.67 110.78 1ujd s ASP 21 Ca 0.16 0.24 0.00 0.00 0.18 0.00 0.00 52.55 53.13 1ujd s ASP 21 Cb -0.16 1.38 0.00 0.00 1.07 0.00 0.00 42.92 45.21 1ujd s ASP 21 CO 0.13 -0.09 0.00 -0.24 1.18 0.00 0.00 175.17 176.15 1ujd n SER 22 N 5.40 -0.65 -4.04 0.27 2.88 -1.26 -5.15 113.62 111.07 1ujd n SER 22 Ca -0.03 0.26 -0.10 0.00 -1.33 0.00 0.00 58.87 57.67 1ujd n SER 22 Cb 0.54 0.84 -0.11 0.00 -0.75 0.00 0.00 64.21 64.73 1ujd n SER 22 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ujd s LYS 23 N -2.00 0.48 0.04 -1.46 1.02 -1.26 -5.16 119.74 111.39 1ujd s LYS 23 Ca 0.00 -0.84 -0.27 0.00 0.02 0.00 0.00 55.97 54.88 1ujd s LYS 23 Cb 0.00 -0.01 0.08 0.00 -0.52 0.00 0.00 37.83 37.37 1ujd s LYS 23 CO 0.00 -0.03 0.68 -0.51 -0.92 0.00 0.00 175.35 174.57 1ujd s ASP 24 N -1.93 -0.58 0.00 2.83 1.01 -1.26 -5.10 116.67 111.64 1ujd s ASP 24 Ca -0.07 0.33 0.00 0.00 0.71 0.00 0.00 52.55 53.52 1ujd s ASP 24 Cb -0.05 0.54 0.00 0.00 1.01 0.00 0.00 42.92 44.42 1ujd s ASP 24 CO -0.03 -0.75 0.00 1.57 0.21 0.00 0.00 175.17 176.18 1ujd n HIS 25 N 0.25 -1.01 0.00 4.23 -0.00 -1.26 -5.04 115.22 112.40 1ujd n HIS 25 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 1ujd n HIS 25 Cb 0.61 0.20 0.00 0.00 -0.00 0.00 0.00 29.99 30.80 1ujd n HIS 25 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1ujd n THR 26 N -1.61 0.00 -1.31 3.57 5.66 -1.26 -5.07 114.28 114.25 1ujd n THR 26 Ca 0.00 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.63 1ujd n THR 26 Cb 0.00 -0.73 0.04 0.00 -1.55 0.00 0.00 70.33 68.09 1ujd n THR 26 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1ujd n VAL 27 N -2.49 1.44 -2.80 1.08 3.14 -1.26 -4.98 118.33 112.45 1ujd n VAL 27 Ca 0.00 -0.46 0.00 0.00 -2.96 0.00 0.00 64.34 60.92 1ujd n VAL 27 Cb 0.35 -0.50 0.01 0.00 -1.06 0.00 0.00 33.84 32.64 1ujd n VAL 27 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1ujd s SER 28 N -1.23 -0.54 0.00 6.55 0.15 -1.26 -5.04 113.70 112.33 1ujd s SER 28 Ca 0.63 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.90 1ujd s SER 28 Cb -0.41 0.70 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1ujd s SER 28 CO 0.60 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.60 1ujd n GLY 29 N 3.50 4.31 2.72 9.45 0.00 -1.26 -5.10 105.19 118.80 1ujd n GLY 29 Ca 0.08 -0.86 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 1ujd n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ujd n ASN 30 N 0.00 -4.08 -2.71 1.61 4.13 -1.23 -5.04 115.26 107.95 1ujd n ASN 30 Ca 0.00 1.30 -0.04 0.00 1.68 0.00 0.00 54.58 57.52 1ujd n ASN 30 Cb 0.00 -4.79 0.03 0.00 -1.54 0.00 0.00 39.78 33.48 1ujd n ASN 30 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ujd n GLY 31 N 1.40 -1.06 0.07 7.41 0.00 -1.26 -5.07 105.19 106.68 1ujd n GLY 31 Ca -0.22 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 2.43 0.00 0.00 0.99 4.32 -1.26 -4.84 117.00 118.64 1ujd n LEU 32 Ca 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.11 1ujd n LEU 32 Cb 0.62 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.42 1ujd n LEU 32 CO -0.06 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 176.70 1ujd n GLY 33 N 2.69 0.44 3.49 -0.72 0.00 -1.26 -1.84 105.19 107.99 1ujd n GLY 33 Ca 0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.00 -0.27 -0.61 2.07 -1.26 -3.54 121.20 117.58 1ujd s ILE 34 Ca 0.00 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.26 1ujd s ILE 34 Cb 0.00 -0.83 0.05 0.00 0.13 0.00 0.00 42.46 41.82 1ujd s ILE 34 CO 0.00 0.01 -0.06 -0.13 -1.91 0.00 0.00 174.94 172.85 1ujd s ARG 35 N 0.82 2.38 -0.11 3.50 0.52 -0.26 -4.97 118.95 120.83 1ujd s ARG 35 Ca -0.04 -1.28 0.02 0.00 -0.52 0.00 0.00 55.73 53.92 1ujd s ARG 35 Cb -0.05 -3.02 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 1ujd s ARG 35 CO -0.07 -0.57 -0.19 0.42 0.02 0.00 0.00 175.30 174.91 1ujd s ILE 36 N 1.19 2.51 -0.22 1.52 1.01 -1.26 0.93 121.20 126.87 1ujd s ILE 36 Ca -0.06 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.66 1ujd s ILE 36 Cb -0.20 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1ujd s ILE 36 CO -0.03 0.55 0.04 -0.69 0.00 0.00 0.00 174.94 174.80 1ujd s VAL 37 N 0.29 4.19 0.72 2.92 1.01 0.20 -4.79 120.40 124.94 1ujd s VAL 37 Ca -0.14 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1ujd s VAL 37 Cb -0.17 -2.93 0.13 0.00 0.00 0.00 0.00 36.38 33.42 1ujd s VAL 37 CO 0.07 0.38 0.98 -0.83 0.00 0.00 0.00 175.10 175.71 1ujd s GLY 38 N 1.28 1.74 -1.32 4.51 0.00 -1.26 -1.39 107.32 110.88 1ujd s GLY 38 Ca 0.04 -1.90 -0.03 0.00 0.00 0.00 0.00 44.72 42.84 1ujd s GLY 38 CO 0.02 -1.31 0.83 0.61 0.00 0.00 0.00 173.10 173.26 1ujd n GLY 39 N -2.78 -0.35 3.10 0.20 0.00 0.13 -3.92 105.19 101.58 1ujd n GLY 39 Ca 0.16 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 -5.96 2.39 0.29 1.61 2.20 -1.07 -4.85 119.74 114.35 1ujd s LYS 40 Ca 0.13 -0.64 -0.29 0.00 -0.36 0.00 0.00 55.97 54.81 1ujd s LYS 40 Cb -0.06 -1.94 -0.13 0.00 -1.51 0.00 0.00 37.83 34.18 1ujd s LYS 40 CO 0.79 0.02 1.27 -1.91 -0.36 0.00 0.00 175.35 175.16 1ujd n GLU 41 N 3.94 1.89 -3.30 4.03 2.13 -1.26 -1.60 120.64 126.48 1ujd n GLU 41 Ca -0.20 0.67 -0.40 0.00 0.66 0.00 0.00 57.16 57.89 1ujd n GLU 41 Cb 0.52 -2.23 -0.08 0.00 0.27 0.00 0.00 31.44 29.91 1ujd n GLU 41 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1ujd s ILE 42 N -0.66 5.08 -1.15 6.31 1.01 0.18 -4.89 121.20 127.08 1ujd s ILE 42 Ca 0.62 0.48 -0.13 0.00 0.00 0.00 0.00 60.65 61.61 1ujd s ILE 42 Cb -0.64 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 37.91 1ujd s ILE 42 CO 0.57 -0.04 2.26 -0.81 0.00 0.00 0.00 174.94 176.91 1ujd n PRO 43 N 5.56 2.43 0.00 2.79 -0.04 -1.26 -3.09 135.00 141.38 1ujd n PRO 43 Ca -0.06 -2.00 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1ujd n PRO 43 Cb 0.50 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 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 4.03 -0.56 3.57 0.55 0.00 -1.26 -4.91 105.19 106.61 1ujd n GLY 44 Ca 0.55 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 46.32 1ujd n GLY 44 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ujd s HIS 45 N 0.00 0.64 -1.00 1.61 3.76 -1.18 -4.92 115.29 114.20 1ujd s HIS 45 Ca 0.00 0.60 -0.18 0.00 -0.15 0.00 0.00 55.06 55.33 1ujd s HIS 45 Cb 0.00 -3.35 0.14 0.00 1.11 0.00 0.00 32.58 30.47 1ujd s HIS 45 CO 0.00 -3.86 1.21 -1.12 -0.85 0.00 0.00 174.74 170.12 1ujd s SER 46 N -3.70 6.73 -0.67 1.40 0.01 -1.26 -4.60 113.70 111.62 1ujd s SER 46 Ca 0.70 -2.27 -0.14 0.00 1.31 0.00 0.00 55.95 55.55 1ujd s SER 46 Cb -0.12 -2.40 0.02 0.00 0.21 0.00 0.00 66.02 63.73 1ujd s SER 46 CO 0.57 -0.99 0.63 0.61 0.41 0.00 0.00 173.24 174.47 1ujd n GLY 47 N 5.18 -0.83 2.94 3.44 0.00 -1.26 -4.99 105.19 109.67 1ujd n GLY 47 Ca 0.27 0.82 -0.14 0.00 0.00 0.00 0.00 46.02 46.97 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 -3.75 0.30 -0.02 1.61 2.56 -1.26 -5.03 118.70 113.11 1ujd s GLU 48 Ca 0.14 -0.19 -0.05 0.00 0.00 0.00 0.00 54.97 54.87 1ujd s GLU 48 Cb -0.02 -0.26 -0.04 0.00 2.00 0.00 0.00 34.13 35.81 1ujd s GLU 48 CO 0.87 0.07 0.21 0.96 -0.56 0.00 0.00 175.26 176.80 1ujd s ILE 49 N -0.24 5.40 0.00 -3.70 -4.36 -1.26 -0.65 121.20 116.39 1ujd s ILE 49 Ca -0.00 0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.41 1ujd s ILE 49 Cb -0.02 -3.53 0.00 0.00 1.25 0.00 0.00 42.46 40.16 1ujd s ILE 49 CO -0.00 0.39 0.00 0.61 0.24 0.00 0.00 174.94 176.18 1ujd n GLY 50 N 1.17 4.73 2.94 6.27 0.00 -0.62 0.27 105.19 119.95 1ujd n GLY 50 Ca -0.12 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.54 0.22 -0.00 4.61 0.00 -1.10 0.23 121.76 124.18 1ujd s ALA 51 Ca 0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 1ujd s ALA 51 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 1ujd s ALA 51 CO 0.00 -0.01 0.09 1.52 0.00 0.00 0.00 175.76 177.36 1ujd s TYR 52 N -0.55 0.07 -0.33 0.00 1.13 -0.49 0.93 117.35 118.12 1ujd s TYR 52 Ca -0.04 -0.16 -0.28 0.00 -1.41 0.00 0.00 57.07 55.17 1ujd s TYR 52 Cb -0.04 -0.07 -0.02 0.00 -1.10 0.00 0.00 41.96 40.72 1ujd s TYR 52 CO -0.00 -0.22 1.89 0.42 -2.51 0.00 0.00 175.55 175.13 1ujd s ILE 53 N -1.14 3.38 -0.08 -3.49 1.01 -0.39 -0.63 121.20 119.86 1ujd s ILE 53 Ca -0.12 0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.74 1ujd s ILE 53 Cb -0.07 -3.54 -0.12 0.00 0.01 0.00 0.00 42.46 38.73 1ujd s ILE 53 CO 0.01 -0.37 0.57 0.00 0.00 0.00 0.00 174.94 175.15 1ujd h ALA 54 N 13.55 -0.15 -3.26 9.38 0.00 0.21 -2.41 119.26 136.59 1ujd h ALA 54 Ca -0.34 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.11 1ujd h ALA 54 Cb 1.18 0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.80 1ujd h ALA 54 CO 1.04 -0.18 -0.73 0.21 0.00 0.00 0.00 179.25 179.59 1ujd s LYS 55 N -2.62 0.43 -0.32 0.00 2.47 -1.02 -4.74 119.74 113.94 1ujd s LYS 55 Ca -0.10 -0.59 -0.01 0.00 -1.56 0.00 0.00 55.97 53.71 1ujd s LYS 55 Cb -0.00 -0.20 0.07 0.00 -1.46 0.00 0.00 37.83 36.24 1ujd s LYS 55 CO 0.35 0.03 0.03 0.42 0.16 0.00 0.00 175.35 176.34 1ujd s ILE 56 N -1.13 2.84 0.35 5.43 1.01 -1.26 -1.10 121.20 127.34 1ujd s ILE 56 Ca -0.09 -1.67 -0.23 0.00 0.00 0.00 0.00 60.65 58.66 1ujd s ILE 56 Cb -0.08 -2.75 -0.16 0.00 0.01 0.00 0.00 42.46 39.48 1ujd s ILE 56 CO -0.00 -0.27 0.19 0.18 0.00 0.00 0.00 174.94 175.05 1ujd n LEU 57 N 4.54 -2.47 -4.79 2.97 7.99 -1.23 -4.87 117.00 119.15 1ujd n LEU 57 Ca -0.09 0.89 -0.36 0.00 -0.01 0.00 0.00 56.01 56.44 1ujd n LEU 57 Cb 0.43 -0.90 -0.04 0.00 -0.11 0.00 0.00 43.42 42.80 1ujd n LEU 57 CO 0.26 -3.89 0.73 -2.16 -1.51 0.00 0.00 177.39 170.82 1ujd s PRO 58 N -1.00 4.03 -0.31 3.23 0.04 -1.26 -3.39 135.00 136.34 1ujd s PRO 58 Ca 0.60 1.46 -0.04 0.00 0.04 0.00 0.00 61.00 63.07 1ujd s PRO 58 Cb -0.71 -2.38 0.04 0.00 0.04 0.00 0.00 34.50 31.49 1ujd s PRO 58 CO 0.61 -0.25 0.10 0.41 0.04 0.00 0.00 177.00 177.91 1ujd n GLY 59 N 0.13 -0.42 0.42 0.56 0.00 -1.26 -4.85 105.19 99.77 1ujd n GLY 59 Ca 0.07 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.54 -0.18 0.15 -0.02 0.00 -1.22 -4.87 105.19 98.51 1ujd n GLY 60 Ca 0.02 -1.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.13 0.75 -0.41 1.61 0.02 -1.61 -1.04 113.55 112.75 1ujd h SER 61 Ca -0.04 -0.87 -0.11 0.00 -0.84 0.00 0.00 61.79 59.93 1ujd h SER 61 Cb 0.13 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1ujd h SER 61 CO 0.04 1.55 -0.15 0.00 -1.14 0.00 0.00 176.83 177.13 1ujd h ALA 62 N 0.21 0.85 0.00 3.77 0.00 -1.75 -2.56 119.26 119.79 1ujd h ALA 62 Ca -0.18 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 1ujd h ALA 62 Cb 1.86 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 1ujd h ALA 62 CO 0.22 0.64 -0.61 1.49 0.00 0.00 0.00 179.25 180.99 1ujd h GLU 63 N 0.79 0.00 0.01 0.00 4.57 -1.77 -3.22 114.58 114.96 1ujd h GLU 63 Ca 0.12 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1ujd h GLU 63 Cb 0.68 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.25 1ujd h GLU 63 CO 0.05 0.61 -0.13 1.96 -1.18 0.00 0.00 179.01 180.32 1ujd h GLN 64 N 0.00 -0.21 -1.00 1.92 4.20 -0.77 -2.60 115.11 116.66 1ujd h GLN 64 Ca -0.01 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.88 1ujd h GLN 64 Cb 1.15 0.05 -0.17 0.00 0.30 0.00 0.00 27.48 28.82 1ujd h GLN 64 CO 0.08 -0.14 -0.37 1.79 -0.67 0.00 0.00 178.83 179.52 1ujd h THR 65 N -0.22 0.00 0.00 -0.54 1.35 -1.53 -3.45 112.91 108.53 1ujd h THR 65 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.90 1ujd h THR 65 Cb 0.27 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.69 1ujd h THR 65 CO -0.12 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.76 1ujd n GLY 66 N -1.50 2.86 0.23 5.82 0.00 -0.98 -4.78 105.19 106.84 1ujd n GLY 66 Ca 0.11 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 -6.60 1.61 1.79 -1.87 -3.42 116.57 108.08 1ujd h LYS 67 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1ujd h LYS 67 Cb 0.00 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 1ujd h LYS 67 CO 0.00 0.22 0.23 -0.51 -1.08 0.00 0.00 179.45 178.31 1ujd s LEU 68 N -7.22 4.61 0.10 2.94 2.01 -1.26 -5.05 118.68 114.81 1ujd s LEU 68 Ca -0.01 1.74 -0.19 0.00 0.01 0.00 0.00 54.13 55.68 1ujd s LEU 68 Cb 0.12 -3.40 0.04 0.00 0.01 0.00 0.00 46.19 42.97 1ujd s LEU 68 CO 0.63 0.19 0.46 -0.04 1.01 0.00 0.00 176.35 178.61 1ujd s MET 69 N -1.16 1.07 0.51 1.70 -1.94 -1.26 -4.87 119.30 113.34 1ujd s MET 69 Ca 0.37 -0.50 -0.22 0.00 -1.71 0.00 0.00 55.69 53.63 1ujd s MET 69 Cb -0.24 0.48 -0.06 0.00 2.01 0.00 0.00 34.83 37.02 1ujd s MET 69 CO 0.28 -0.41 1.28 -1.21 -0.01 0.00 0.00 175.02 174.95 1ujd s GLU 70 N -3.25 3.41 0.00 2.03 8.01 -1.26 -2.84 118.70 124.81 1ujd s GLU 70 Ca -0.01 2.06 0.00 0.00 0.01 0.00 0.00 54.97 57.03 1ujd s GLU 70 Cb 0.00 -2.34 0.00 0.00 -4.31 0.00 0.00 34.13 27.49 1ujd s GLU 70 CO -0.08 -0.92 0.00 0.41 0.01 0.00 0.00 175.26 174.68 1ujd n GLY 71 N 0.61 0.75 3.66 -1.39 0.00 -0.91 -4.87 105.19 103.05 1ujd n GLY 71 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.50 4.22 -0.23 1.61 -1.94 -1.13 0.18 119.30 121.51 1ujd s MET 72 Ca 0.00 0.67 -0.29 0.00 -1.71 0.00 0.00 55.69 54.36 1ujd s MET 72 Cb 0.00 -3.58 -0.01 0.00 2.01 0.00 0.00 34.83 33.25 1ujd s MET 72 CO 0.00 -0.25 1.43 -1.14 -0.01 0.00 0.00 175.02 175.05 1ujd s GLN 73 N 1.93 3.94 -0.41 2.03 0.74 -1.26 -1.26 119.66 125.36 1ujd s GLN 73 Ca 0.30 1.52 -0.29 0.00 0.05 0.00 0.00 55.36 56.94 1ujd s GLN 73 Cb -0.16 -3.92 0.01 0.00 1.10 0.00 0.00 33.01 30.04 1ujd s GLN 73 CO 0.11 -1.10 1.46 0.08 -0.55 0.00 0.00 175.29 175.29 1ujd s VAL 74 N 4.50 3.85 -0.08 1.34 1.01 0.27 -2.41 120.40 128.87 1ujd s VAL 74 Ca 0.62 0.85 -0.08 0.00 0.00 0.00 0.00 61.98 63.38 1ujd s VAL 74 Cb -0.21 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 1ujd s VAL 74 CO 0.24 -0.75 0.30 -0.07 0.00 0.00 0.00 175.10 174.83 1ujd h LEU 75 N 12.44 -0.13 -8.07 3.92 3.38 0.13 -3.37 115.31 123.61 1ujd h LEU 75 Ca -0.28 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.39 1ujd h LEU 75 Cb 1.11 0.03 -0.20 0.00 0.09 0.00 0.00 40.66 41.70 1ujd h LEU 75 CO 1.09 0.41 -0.70 -1.61 0.09 0.00 0.00 178.44 177.71 1ujd s GLU 76 N -2.21 0.41 -0.13 1.13 2.02 -1.11 -2.59 118.70 116.22 1ujd s GLU 76 Ca -0.05 -0.77 -0.01 0.00 0.02 0.00 0.00 54.97 54.16 1ujd s GLU 76 Cb -0.00 0.07 0.04 0.00 0.10 0.00 0.00 34.13 34.34 1ujd s GLU 76 CO 0.16 -0.05 -0.03 -0.46 0.02 0.00 0.00 175.26 174.90 1ujd s TRP 77 N -2.01 1.30 -1.32 1.61 -0.11 0.23 -1.56 118.94 117.07 1ujd s TRP 77 Ca -0.10 -0.74 -0.09 0.00 1.22 0.00 0.00 56.10 56.40 1ujd s TRP 77 Cb -0.06 -1.13 0.06 0.00 -1.50 0.00 0.00 33.47 30.84 1ujd s TRP 77 CO -0.03 -0.52 0.50 0.09 -4.62 0.00 0.00 176.95 172.38 1ujd n ASN 78 N 4.98 -4.07 0.00 5.86 5.03 0.31 -0.32 115.26 127.05 1ujd n ASN 78 Ca -0.10 -0.37 0.00 0.00 0.87 0.00 0.00 54.58 54.97 1ujd n ASN 78 Cb 0.49 -3.35 0.00 0.00 -1.02 0.00 0.00 39.78 35.89 1ujd n ASN 78 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ujd n GLY 79 N -1.22 2.47 3.66 7.41 0.00 -1.26 -4.95 105.19 111.29 1ujd n GLY 79 Ca -0.03 -0.56 -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 -0.32 3.37 0.62 -0.61 1.09 0.57 -4.93 121.20 120.98 1ujd s ILE 80 Ca 0.00 0.45 -0.14 0.00 -1.10 0.00 0.00 60.65 59.86 1ujd s ILE 80 Cb 0.00 -3.30 -0.03 0.00 -1.06 0.00 0.00 42.46 38.07 1ujd s ILE 80 CO 0.00 -0.05 1.05 -2.16 -0.10 0.00 0.00 174.94 173.68 1ujd s PRO 81 N 4.28 3.27 -0.28 2.79 0.04 -1.26 0.74 135.00 144.57 1ujd s PRO 81 Ca 0.79 1.11 0.08 0.00 0.04 0.00 0.00 61.00 63.03 1ujd s PRO 81 Cb -0.36 -2.03 0.46 0.00 0.04 0.00 0.00 34.50 32.61 1ujd s PRO 81 CO 0.34 -0.85 1.19 1.28 0.04 0.00 0.00 177.00 179.00 1ujd n LEU 82 N -2.30 4.65 -4.57 -3.56 4.77 -1.07 -4.84 117.00 110.08 1ujd n LEU 82 Ca 0.08 -4.61 -0.35 0.00 -0.03 0.00 0.00 56.01 51.10 1ujd n LEU 82 Cb 0.53 -0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 41.21 1ujd n LEU 82 CO 0.50 2.02 -0.27 -0.89 -1.33 0.00 0.00 177.39 177.41 1ujd s THR 83 N -4.49 4.53 -0.80 -5.08 2.01 -1.26 -2.70 115.64 107.85 1ujd s THR 83 Ca 0.49 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 1ujd s THR 83 Cb 0.40 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1ujd s THR 83 CO 0.03 0.44 0.67 -0.24 -0.69 0.00 0.00 174.62 174.84 1ujd n SER 84 N 3.80 -2.70 -4.20 3.53 2.88 0.14 -4.99 113.62 112.09 1ujd n SER 84 Ca -0.17 -0.39 -0.27 0.00 -1.33 0.00 0.00 58.87 56.72 1ujd n SER 84 Cb 0.52 -3.46 -0.08 0.00 -0.75 0.00 0.00 64.21 60.44 1ujd n SER 84 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1ujd s LYS 85 N -5.11 2.00 0.14 -1.46 -0.14 -1.26 -5.05 119.74 108.86 1ujd s LYS 85 Ca 0.09 -2.23 0.08 0.00 -1.36 0.00 0.00 55.97 52.54 1ujd s LYS 85 Cb -0.04 -0.75 -0.04 0.00 -1.68 0.00 0.00 37.83 35.32 1ujd s LYS 85 CO 0.47 -0.48 -0.08 0.95 -0.76 0.00 0.00 175.35 175.46 1ujd s THR 86 N -3.14 3.39 0.17 2.17 -4.23 -1.26 -3.07 115.64 109.67 1ujd s THR 86 Ca 0.20 -1.43 -0.23 0.00 -1.18 0.00 0.00 61.69 59.05 1ujd s THR 86 Cb 0.02 -2.64 0.05 0.00 1.34 0.00 0.00 72.50 71.27 1ujd s THR 86 CO 0.13 -0.01 1.38 0.00 -0.54 0.00 0.00 174.62 175.57 1ujd n TYR 87 N 0.30 -0.22 0.08 3.99 4.19 -1.25 -0.50 117.16 123.75 1ujd n TYR 87 Ca -0.12 1.11 -0.07 0.00 3.31 0.00 0.00 57.90 62.13 1ujd n TYR 87 Cb 0.54 -0.68 -0.04 0.00 0.49 0.00 0.00 39.34 39.65 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 -0.33 -0.32 2.98 4.39 -1.95 0.11 114.58 119.46 1ujd h GLU 88 Ca 0.21 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.96 1ujd h GLU 88 Cb 0.43 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.12 1ujd h GLU 88 CO -0.86 -0.22 -0.19 0.39 -1.16 0.00 0.00 179.01 176.98 1ujd n GLU 89 N -3.60 -0.14 -0.26 2.33 1.02 -0.35 0.03 120.64 119.67 1ujd n GLU 89 Ca -0.04 1.12 -0.11 0.00 -0.02 0.00 0.00 57.16 58.12 1ujd n GLU 89 Cb 0.17 -1.67 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 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 0.02 -0.98 2.62 2.07 -0.70 0.84 116.25 120.12 1ujd h VAL 90 Ca 0.05 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.86 1ujd h VAL 90 Cb 0.13 0.02 -0.14 0.00 -1.52 0.00 0.00 31.29 29.78 1ujd h VAL 90 CO -0.30 0.00 0.53 -0.61 0.02 0.00 0.00 177.57 177.21 1ujd h GLN 91 N -0.20 0.37 -0.40 1.57 4.15 0.17 1.35 115.11 122.11 1ujd h GLN 91 Ca 0.15 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 1ujd h GLN 91 Cb 0.53 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1ujd h GLN 91 CO -0.75 0.25 -0.02 1.03 -1.93 0.00 0.00 178.83 177.40 1ujd h SER 92 N 0.38 0.63 -0.07 -0.69 0.87 0.45 2.08 113.55 117.20 1ujd h SER 92 Ca 0.68 -0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 61.00 1ujd h SER 92 Cb 1.46 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 1ujd h SER 92 CO -0.57 0.71 -0.27 0.40 -0.53 0.00 0.00 176.83 176.56 1ujd h ILE 93 N 0.62 1.27 0.00 2.23 2.04 0.37 -3.31 117.51 120.73 1ujd h ILE 93 Ca 0.12 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1ujd h ILE 93 Cb 0.42 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1ujd h ILE 93 CO 0.02 0.42 -0.19 0.40 0.00 0.00 0.00 178.15 178.79 1ujd h ILE 94 N 0.45 0.00 -0.94 -0.67 2.04 -0.25 -3.47 117.51 114.67 1ujd h ILE 94 Ca 0.06 -0.81 -0.66 0.00 1.00 0.00 0.00 64.86 64.46 1ujd h ILE 94 Cb 0.71 0.00 0.09 0.00 -0.74 0.00 0.00 36.82 36.88 1ujd h ILE 94 CO 0.05 0.00 -0.36 -0.24 0.00 0.00 0.00 178.15 177.60 1ujd n SER 95 N -4.21 -0.89 -1.84 1.72 2.88 0.70 -4.11 113.62 107.87 1ujd n SER 95 Ca -0.03 1.07 -0.01 0.00 -1.33 0.00 0.00 58.87 58.57 1ujd n SER 95 Cb 0.10 -0.88 -0.01 0.00 -0.75 0.00 0.00 64.21 62.67 1ujd n SER 95 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1ujd n GLN 96 N 1.05 -1.16 -4.13 -1.46 7.27 -1.26 -4.82 117.38 112.87 1ujd n GLN 96 Ca 0.17 1.25 -0.13 0.00 0.07 0.00 0.00 57.00 58.36 1ujd n GLN 96 Cb 0.20 -2.24 -0.11 0.00 2.41 0.00 0.00 30.24 30.49 1ujd n GLN 96 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1ujd s GLN 97 N -0.65 0.71 -0.06 3.69 2.00 -1.26 -5.06 119.66 119.05 1ujd s GLN 97 Ca -0.03 -1.02 0.04 0.00 -2.00 0.00 0.00 55.36 52.35 1ujd s GLN 97 Cb 0.00 -0.39 -0.00 0.00 0.80 0.00 0.00 33.01 33.42 1ujd s GLN 97 CO 0.23 0.06 -0.19 -1.12 -0.50 0.00 0.00 175.29 173.76 1ujd s SER 98 N -2.17 2.46 0.33 6.67 0.01 -1.26 -3.50 113.70 116.24 1ujd s SER 98 Ca 0.00 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1ujd s SER 98 Cb -0.05 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.40 1ujd s SER 98 CO -0.01 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.42 1ujd n GLY 99 N 3.22 1.59 3.49 3.44 0.00 -1.26 -4.62 105.19 111.05 1ujd n GLY 99 Ca -0.19 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.97 0.14 1.61 1.03 -1.26 -4.83 118.70 113.43 1ujd s GLU 100 Ca 0.00 -0.09 -0.24 0.00 0.03 0.00 0.00 54.97 54.67 1ujd s GLU 100 Cb 0.00 -1.51 0.07 0.00 -0.80 0.00 0.00 34.13 31.89 1ujd s GLU 100 CO 0.00 -4.20 0.70 0.00 -1.33 0.00 0.00 175.26 170.43 1ujd s ALA 101 N -2.80 -1.59 -0.09 -0.84 0.00 -0.66 -4.97 121.76 110.81 1ujd s ALA 101 Ca 0.71 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 53.12 1ujd s ALA 101 Cb -0.09 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1ujd s ALA 101 CO 0.56 -0.81 -0.05 -1.21 0.00 0.00 0.00 175.76 174.25 1ujd s GLU 102 N -3.62 3.00 0.07 0.00 8.01 -1.26 -0.20 118.70 124.69 1ujd s GLU 102 Ca 0.04 -0.52 0.02 0.00 0.01 0.00 0.00 54.97 54.52 1ujd s GLU 102 Cb -0.02 -2.70 -0.03 0.00 -4.31 0.00 0.00 34.13 27.07 1ujd s GLU 102 CO -0.08 0.58 -0.07 -1.50 0.01 0.00 0.00 175.26 174.19 1ujd s ILE 103 N -0.56 0.62 -0.09 -1.63 1.10 -1.24 0.11 121.20 119.51 1ujd s ILE 103 Ca 0.09 -1.44 -0.03 0.00 -0.51 0.00 0.00 60.65 58.75 1ujd s ILE 103 Cb -0.12 -1.07 0.04 0.00 0.15 0.00 0.00 42.46 41.47 1ujd s ILE 103 CO 0.02 -0.58 0.09 0.00 -2.11 0.00 0.00 174.94 172.36 1ujd s VAL 105 N 2.18 1.51 -0.23 0.00 -7.23 -1.23 0.16 120.40 115.56 1ujd s VAL 105 Ca 0.04 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.39 1ujd s VAL 105 Cb -0.13 -2.35 0.04 0.00 0.56 0.00 0.00 36.38 34.50 1ujd s VAL 105 CO -0.06 0.00 -0.12 -0.60 -0.31 0.00 0.00 175.10 174.01 1ujd s ARG 106 N -3.97 2.64 0.01 4.82 3.52 -1.01 -3.63 118.95 121.33 1ujd s ARG 106 Ca 0.20 -1.09 -0.04 0.00 -0.13 0.00 0.00 55.73 54.68 1ujd s ARG 106 Cb 0.02 -2.82 -0.02 0.00 -1.56 0.00 0.00 34.95 30.57 1ujd s ARG 106 CO 0.11 -0.41 1.06 -0.07 -0.81 0.00 0.00 175.30 175.18 1ujd h LEU 107 N 7.89 -0.15 0.00 -0.88 3.38 -1.29 -3.22 115.31 121.04 1ujd h LEU 107 Ca -0.31 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1ujd h LEU 107 Cb 1.09 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1ujd h LEU 107 CO 0.55 -0.07 0.00 -0.67 0.09 0.00 0.00 178.44 178.34 1ujd n ASP 108 N -2.63 0.00 -4.51 -0.43 2.03 -1.23 -4.42 116.55 105.36 1ujd n ASP 108 Ca -0.01 0.87 -0.57 0.00 0.52 0.00 0.00 54.79 55.61 1ujd n ASP 108 Cb 0.05 -0.37 -0.07 0.00 -0.72 0.00 0.00 41.12 40.00 1ujd n ASP 108 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ujd n LEU 109 N -2.45 0.21 -3.46 -2.67 7.99 -1.22 -4.93 117.00 110.47 1ujd n LEU 109 Ca 0.00 1.15 -0.21 0.00 -0.01 0.00 0.00 56.01 56.94 1ujd n LEU 109 Cb 0.00 -0.98 -0.12 0.00 -0.11 0.00 0.00 43.42 42.21 1ujd n LEU 109 CO 0.00 -1.84 -0.23 0.20 -1.51 0.00 0.00 177.39 174.01 1ujd s ASN 110 N -0.01 2.25 -1.23 -1.43 0.01 -1.25 -4.46 114.94 108.81 1ujd s ASN 110 Ca 0.87 -0.87 -0.11 0.00 -0.71 0.00 0.00 52.86 52.05 1ujd s ASN 110 Cb -1.18 0.21 0.18 0.00 0.41 0.00 0.00 41.25 40.87 1ujd s ASN 110 CO 0.55 -0.40 1.64 0.23 -1.51 0.00 0.00 177.10 177.61 1ujd n MET 111 N 5.29 3.56 -3.27 -0.60 2.81 0.48 -4.89 117.12 120.49 1ujd n MET 111 Ca -0.04 -3.75 -0.44 0.00 -1.81 0.00 0.00 57.70 51.65 1ujd n MET 111 Cb 0.45 -2.94 0.00 0.00 -0.71 0.00 0.00 33.22 30.02 1ujd n MET 111 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1ujd n SER 112 N 4.45 5.69 -4.28 7.83 7.64 -1.26 -4.04 113.62 129.65 1ujd n SER 112 Ca 0.37 -3.12 -0.34 0.00 1.01 0.00 0.00 58.87 56.78 1ujd n SER 112 Cb 0.39 -1.35 0.09 0.00 -1.01 0.00 0.00 64.21 62.33 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 2.36 -2.90 0.00 0.23 0.00 -1.26 -4.98 105.19 98.63 1ujd n GLY 113 Ca 0.24 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1ujd n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujd n PRO 114 N -0.15 -0.48 -3.42 1.61 -0.04 -1.26 -5.08 135.00 126.19 1ujd n PRO 114 Ca 0.04 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.30 1ujd n PRO 114 Cb 0.54 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.90 1ujd n PRO 114 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ujd s SER 115 N -1.25 1.94 0.35 3.54 0.01 -1.26 -5.08 113.70 111.96 1ujd s SER 115 Ca 0.00 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.07 1ujd s SER 115 Cb 0.00 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1ujd s SER 115 CO 0.00 -0.36 0.00 -1.20 0.41 0.00 0.00 173.24 172.09 1ujd n SER 116 N 4.90 -8.90 0.00 2.44 7.64 -1.26 -5.37 113.62 113.07 1ujd n SER 116 Ca 0.02 1.25 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1ujd n SER 116 Cb 0.44 -4.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 1ujd n SER 116 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64