#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujd n SER 2 N 0.00 -2.15 -4.96 1.61 7.64 -1.26 -5.14 113.62 109.37 1ujd n SER 2 Ca 0.00 0.65 -0.19 0.00 1.01 0.00 0.00 58.87 60.34 1ujd n SER 2 Cb 0.00 2.12 -0.01 0.00 -1.01 0.00 0.00 64.21 65.31 1ujd n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ujd s SER 3 N -3.40 5.52 0.00 6.43 0.01 -1.26 -5.13 113.70 115.88 1ujd s SER 3 Ca 0.00 -0.47 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1ujd s SER 3 Cb 0.00 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.45 1ujd s SER 3 CO 0.00 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.63 1ujd n GLY 4 N -1.68 2.39 3.18 3.44 0.00 -1.26 -5.16 105.19 106.10 1ujd n GLY 4 Ca 0.04 -1.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 1ujd n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujd s SER 5 N -0.70 0.26 0.11 1.61 1.04 -1.26 -5.18 113.70 109.59 1ujd s SER 5 Ca 0.00 -0.97 -0.05 0.00 0.48 0.00 0.00 55.95 55.41 1ujd s SER 5 Cb 0.00 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.40 1ujd s SER 5 CO 0.00 -0.73 0.13 -0.55 0.98 0.00 0.00 173.24 173.07 1ujd s SER 6 N -2.96 0.23 0.00 7.02 0.15 -1.26 -5.14 113.70 111.74 1ujd s SER 6 Ca 0.14 -0.95 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1ujd s SER 6 Cb 0.06 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1ujd s SER 6 CO -0.04 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.26 1ujd n GLY 7 N -0.08 3.52 0.00 9.45 0.00 -1.26 -5.14 105.19 111.69 1ujd n GLY 7 Ca -0.10 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.89 0.00 -4.41 1.61 -0.00 -1.26 -5.14 115.22 105.13 1ujd n HIS 8 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 1ujd n HIS 8 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 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 0.00 2.83 0.57 -1.40 2.02 -1.26 -4.99 117.35 115.12 1ujd s TYR 9 Ca 0.00 -0.08 0.26 0.00 -0.37 0.00 0.00 57.07 56.88 1ujd s TYR 9 Cb 0.00 -1.55 1.55 0.00 -0.40 0.00 0.00 41.96 41.56 1ujd s TYR 9 CO 0.00 0.38 2.09 -0.84 -1.57 0.00 0.00 175.55 175.61 1ujd h ILE 10 N 3.60 0.60 -2.14 2.71 3.07 -2.04 -3.42 117.51 119.90 1ujd h ILE 10 Ca -0.48 0.00 -0.54 0.00 1.55 0.00 0.00 64.86 65.38 1ujd h ILE 10 Cb 1.17 0.84 -0.08 0.00 -0.27 0.00 0.00 36.82 38.48 1ujd h ILE 10 CO 0.53 0.00 -0.60 0.72 -1.05 0.00 0.00 178.15 177.75 1ujd s PHE 11 N -4.78 2.78 -0.17 0.16 -0.12 -1.26 -5.08 117.98 109.51 1ujd s PHE 11 Ca -0.05 -0.23 -0.29 0.00 -0.05 0.00 0.00 56.93 56.31 1ujd s PHE 11 Cb 0.16 -1.32 -0.01 0.00 -0.63 0.00 0.00 43.02 41.22 1ujd s PHE 11 CO 0.60 0.55 1.28 -1.25 -0.05 0.00 0.00 175.22 176.35 1ujd s PRO 12 N -3.74 4.21 0.20 1.99 0.04 -1.26 -4.97 135.00 131.46 1ujd s PRO 12 Ca 0.33 1.65 -0.02 0.00 0.04 0.00 0.00 61.00 62.99 1ujd s PRO 12 Cb -0.06 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.66 1ujd s PRO 12 CO 0.21 -0.74 0.17 -3.38 0.04 0.00 0.00 177.00 173.30 1ujd s HIS 13 N 3.59 1.03 -0.03 0.56 -3.43 -1.26 0.13 115.29 115.88 1ujd s HIS 13 Ca 0.55 -1.28 -0.02 0.00 -0.80 0.00 0.00 55.06 53.52 1ujd s HIS 13 Cb -0.22 -0.46 0.02 0.00 -1.43 0.00 0.00 32.58 30.49 1ujd s HIS 13 CO 0.16 -0.67 0.07 0.00 -2.00 0.00 0.00 174.74 172.30 1ujd s ALA 14 N -4.13 -0.12 -0.67 -1.38 0.00 -0.94 -4.83 121.76 109.69 1ujd s ALA 14 Ca 0.35 0.30 -0.07 0.00 0.00 0.00 0.00 51.96 52.54 1ujd s ALA 14 Cb 0.06 -0.20 0.17 0.00 0.00 0.00 0.00 23.12 23.15 1ujd s ALA 14 CO 0.10 -0.07 0.53 1.03 0.00 0.00 0.00 175.76 177.35 1ujd s ARG 15 N 0.50 2.88 0.18 0.00 0.52 -1.26 -3.42 118.95 118.35 1ujd s ARG 15 Ca -0.04 -2.42 0.05 0.00 -0.52 0.00 0.00 55.73 52.79 1ujd s ARG 15 Cb -0.06 -3.97 -0.04 0.00 0.52 0.00 0.00 34.95 31.41 1ujd s ARG 15 CO -0.02 -1.21 0.21 0.42 0.02 0.00 0.00 175.30 174.72 1ujd s ILE 16 N 0.17 4.81 0.30 1.52 1.09 -1.20 -4.98 121.20 122.89 1ujd s ILE 16 Ca 0.16 -1.00 0.07 0.00 -1.10 0.00 0.00 60.65 58.78 1ujd s ILE 16 Cb -0.18 -3.50 -0.03 0.00 -1.06 0.00 0.00 42.46 37.70 1ujd s ILE 16 CO -0.05 -0.16 0.30 -1.59 -0.10 0.00 0.00 174.94 173.34 1ujd s LYS 17 N -3.33 2.93 -0.10 2.79 -2.85 -1.26 -2.30 119.74 115.63 1ujd s LYS 17 Ca 0.33 -1.11 0.00 0.00 -1.00 0.00 0.00 55.97 54.19 1ujd s LYS 17 Cb -0.10 -2.61 0.02 0.00 -2.06 0.00 0.00 37.83 33.09 1ujd s LYS 17 CO 0.26 0.23 -0.09 0.42 0.10 0.00 0.00 175.35 176.26 1ujd s ILE 18 N -2.19 1.06 -0.06 3.79 1.01 0.18 -4.95 121.20 120.04 1ujd s ILE 18 Ca 0.38 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1ujd s ILE 18 Cb -0.07 -1.04 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 1ujd s ILE 18 CO 0.27 0.36 -0.01 0.42 0.00 0.00 0.00 174.94 175.99 1ujd s THR 19 N 1.38 4.19 0.03 2.92 -4.23 -1.26 -0.67 115.64 117.99 1ujd s THR 19 Ca -0.01 -0.38 -0.24 0.00 -1.18 0.00 0.00 61.69 59.88 1ujd s THR 19 Cb -0.14 -2.79 -0.13 0.00 1.34 0.00 0.00 72.50 70.79 1ujd s THR 19 CO -0.05 0.54 1.21 -0.09 -0.54 0.00 0.00 174.62 175.69 1ujd h ARG 20 N 4.92 -0.82 -5.59 3.99 2.43 -1.93 -3.42 114.38 113.97 1ujd h ARG 20 Ca -0.50 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 1ujd h ARG 20 Cb 1.18 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1ujd h ARG 20 CO 0.55 -0.54 -0.96 -3.47 -1.51 0.00 0.00 179.97 174.04 1ujd n ASP 21 N -4.57 -7.48 -4.30 -3.80 2.03 -1.26 -4.78 116.55 92.38 1ujd n ASP 21 Ca -0.11 0.96 -0.19 0.00 0.52 0.00 0.00 54.79 55.97 1ujd n ASP 21 Cb 0.33 -4.08 -0.11 0.00 -0.72 0.00 0.00 41.12 36.55 1ujd n ASP 21 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ujd s SER 22 N -1.55 2.39 -0.36 1.67 1.04 -1.26 -5.04 113.70 110.58 1ujd s SER 22 Ca 0.05 -0.88 -0.00 0.00 0.48 0.00 0.00 55.95 55.59 1ujd s SER 22 Cb -0.01 -0.12 0.09 0.00 0.10 0.00 0.00 66.02 66.09 1ujd s SER 22 CO 0.57 -0.11 0.10 -0.75 0.98 0.00 0.00 173.24 174.03 1ujd s LYS 23 N -2.96 1.97 -0.16 4.02 2.36 -1.26 -4.88 119.74 118.82 1ujd s LYS 23 Ca 0.15 -1.69 -0.09 0.00 -2.55 0.00 0.00 55.97 51.79 1ujd s LYS 23 Cb -0.04 -3.36 0.03 0.00 -1.05 0.00 0.00 37.83 33.42 1ujd s LYS 23 CO 0.05 -0.91 0.18 -0.25 1.55 0.00 0.00 175.35 175.97 1ujd n ASP 24 N 4.50 -2.58 -3.46 1.43 8.00 -1.26 -5.06 116.55 118.13 1ujd n ASP 24 Ca -0.04 1.27 0.01 0.00 0.71 0.00 0.00 54.79 56.75 1ujd n ASP 24 Cb 0.42 -4.54 -0.05 0.00 -0.02 0.00 0.00 41.12 36.93 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 -0.67 -0.47 1.28 1.24 2.46 -1.26 -5.17 115.29 112.70 1ujd s HIS 25 Ca -0.20 0.85 -0.19 0.00 0.47 0.00 0.00 55.06 55.98 1ujd s HIS 25 Cb 0.01 0.28 0.30 0.00 -0.13 0.00 0.00 32.58 33.04 1ujd s HIS 25 CO 0.64 -0.23 0.68 -2.37 -2.47 0.00 0.00 174.74 170.99 1ujd n THR 26 N 4.34 0.00 -4.01 0.89 5.66 -1.26 -4.99 114.28 114.92 1ujd n THR 26 Ca -0.12 -0.01 -0.31 0.00 -3.05 0.00 0.00 64.05 60.56 1ujd n THR 26 Cb 0.55 -0.78 -0.15 0.00 -1.55 0.00 0.00 70.33 68.40 1ujd n THR 26 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1ujd s VAL 27 N -2.09 2.07 -0.45 1.08 -7.23 -1.26 -4.99 120.40 107.53 1ujd s VAL 27 Ca 0.53 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1ujd s VAL 27 Cb -0.10 -2.41 0.19 0.00 0.56 0.00 0.00 36.38 34.63 1ujd s VAL 27 CO 0.45 -0.39 0.83 -0.55 -0.31 0.00 0.00 175.10 175.13 1ujd s SER 28 N 1.06 -1.10 0.00 4.85 0.15 -1.26 -5.13 113.70 112.27 1ujd s SER 28 Ca 0.03 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.50 1ujd s SER 28 Cb -0.19 1.44 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 1ujd s SER 28 CO -0.08 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1ujd n GLY 29 N 3.07 -0.01 5.00 9.45 0.00 -1.26 -4.92 105.19 116.52 1ujd n GLY 29 Ca 0.15 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 1.93 0.00 0.00 1.61 2.85 -1.26 -4.89 115.26 115.51 1ujd n ASN 30 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1ujd n ASN 30 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 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 0.00 1.16 0.07 8.20 0.00 -1.26 -4.01 105.19 109.35 1ujd n GLY 31 Ca 0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 1ujd n GLY 31 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ujd h LEU 32 N 0.00 0.00 0.00 0.99 -0.00 -1.90 -3.48 115.31 110.92 1ujd h LEU 32 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1ujd h LEU 32 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1ujd h LEU 32 CO 0.00 0.86 0.00 0.61 -0.00 0.00 0.00 178.44 179.91 1ujd n GLY 33 N 1.63 0.76 2.87 0.83 0.00 -1.26 -4.53 105.19 105.50 1ujd n GLY 33 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.29 0.37 -0.46 -0.61 2.07 -1.26 -2.65 121.20 117.37 1ujd s ILE 34 Ca 0.00 -0.05 -0.14 0.00 -1.41 0.00 0.00 60.65 59.05 1ujd s ILE 34 Cb 0.00 -0.42 0.07 0.00 0.13 0.00 0.00 42.46 42.25 1ujd s ILE 34 CO 0.00 0.18 0.36 -0.13 -1.91 0.00 0.00 174.94 173.44 1ujd s ARG 35 N 0.81 2.90 -0.24 3.50 0.52 -1.17 -4.91 118.95 120.36 1ujd s ARG 35 Ca -0.10 -1.37 -0.06 0.00 -0.52 0.00 0.00 55.73 53.69 1ujd s ARG 35 Cb -0.13 -4.05 -0.02 0.00 0.52 0.00 0.00 34.95 31.27 1ujd s ARG 35 CO -0.01 -1.01 0.02 0.42 0.02 0.00 0.00 175.30 174.75 1ujd s ILE 36 N 1.60 3.95 0.00 1.52 1.01 -1.26 -1.91 121.20 126.10 1ujd s ILE 36 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1ujd s ILE 36 Cb -0.24 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1ujd s ILE 36 CO 0.06 0.37 0.00 1.33 0.00 0.00 0.00 174.94 176.70 1ujd n VAL 37 N 4.84 0.00 0.00 2.92 0.24 -1.19 -4.34 118.33 120.81 1ujd n VAL 37 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1ujd n VAL 37 Cb 0.51 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 32.03 1ujd n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ujd n GLY 38 N 3.48 1.96 2.97 7.63 0.00 -1.25 -4.45 105.19 115.52 1ujd n GLY 38 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.46 0.41 3.73 -0.02 0.00 0.19 0.05 105.19 109.08 1ujd n GLY 39 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.68 4.49 0.57 1.61 2.36 -0.17 -4.56 119.74 123.36 1ujd s LYS 40 Ca 0.00 1.06 -0.18 0.00 -2.55 0.00 0.00 55.97 54.31 1ujd s LYS 40 Cb 0.00 -3.41 -0.14 0.00 -1.05 0.00 0.00 37.83 33.23 1ujd s LYS 40 CO 0.00 0.14 -0.12 -1.91 1.55 0.00 0.00 175.35 175.01 1ujd n GLU 41 N 3.38 0.06 -4.80 4.03 2.13 -1.26 -0.75 120.64 123.42 1ujd n GLU 41 Ca -0.00 0.02 -0.33 0.00 0.66 0.00 0.00 57.16 57.51 1ujd n GLU 41 Cb 0.51 -1.09 -0.12 0.00 0.27 0.00 0.00 31.44 31.00 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 -1.97 3.25 0.23 6.31 1.01 0.40 -4.62 121.20 125.81 1ujd s ILE 42 Ca 0.56 -0.67 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 1ujd s ILE 42 Cb -0.45 -2.29 -0.09 0.00 0.01 0.00 0.00 42.46 39.64 1ujd s ILE 42 CO 0.67 0.58 1.10 -2.16 0.00 0.00 0.00 174.94 175.13 1ujd s PRO 43 N -0.80 4.62 0.00 2.79 0.04 -1.26 -3.82 135.00 136.57 1ujd s PRO 43 Ca 0.12 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1ujd s PRO 43 Cb -0.11 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1ujd s PRO 43 CO 0.01 0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.60 1ujd n GLY 44 N 1.66 1.32 3.33 0.56 0.00 -1.26 -4.93 105.19 105.87 1ujd n GLY 44 Ca 0.01 -0.01 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -1.56 -2.35 1.61 8.25 -1.25 -4.73 115.22 115.19 1ujd n HIS 45 Ca 0.00 0.73 -0.37 0.00 -0.26 0.00 0.00 57.72 57.83 1ujd n HIS 45 Cb 0.00 -1.84 -0.04 0.00 1.12 0.00 0.00 29.99 29.23 1ujd n HIS 45 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ujd s SER 46 N -1.00 5.92 -0.53 0.41 0.01 -1.26 -4.35 113.70 112.90 1ujd s SER 46 Ca 0.61 -0.87 -0.25 0.00 1.31 0.00 0.00 55.95 56.75 1ujd s SER 46 Cb -0.73 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 62.98 1ujd s SER 46 CO 0.61 -2.02 0.60 0.61 0.41 0.00 0.00 173.24 173.45 1ujd n GLY 47 N 6.51 -0.26 3.08 3.44 0.00 -1.26 -4.98 105.19 111.71 1ujd n GLY 47 Ca 0.29 0.92 -0.11 0.00 0.00 0.00 0.00 46.02 47.12 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 -3.06 0.42 -0.01 1.61 2.56 -1.26 -5.07 118.70 113.89 1ujd s GLU 48 Ca 0.25 -0.36 0.01 0.00 0.00 0.00 0.00 54.97 54.86 1ujd s GLU 48 Cb -0.03 0.17 -0.04 0.00 2.00 0.00 0.00 34.13 36.24 1ujd s GLU 48 CO 0.82 -0.09 0.03 0.96 -0.56 0.00 0.00 175.26 176.42 1ujd s ILE 49 N -1.23 4.38 0.00 -3.70 -4.36 -1.26 -0.45 121.20 114.58 1ujd s ILE 49 Ca -0.13 -0.51 0.00 0.00 -0.26 0.00 0.00 60.65 59.75 1ujd s ILE 49 Cb -0.07 -2.97 0.00 0.00 1.25 0.00 0.00 42.46 40.67 1ujd s ILE 49 CO 0.01 0.38 0.00 0.61 0.24 0.00 0.00 174.94 176.18 1ujd n GLY 50 N 1.37 4.18 3.07 6.27 0.00 0.07 -2.72 105.19 117.43 1ujd n GLY 50 Ca -0.14 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.50 1.11 0.01 4.61 0.00 -1.25 0.52 121.76 125.26 1ujd s ALA 51 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.49 1ujd s ALA 51 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 1ujd s ALA 51 CO 0.00 0.22 -0.11 1.52 0.00 0.00 0.00 175.76 177.40 1ujd s TYR 52 N -0.04 0.94 -0.31 0.00 1.13 -1.26 0.19 117.35 118.00 1ujd s TYR 52 Ca -0.00 -0.25 -0.32 0.00 -1.41 0.00 0.00 57.07 55.09 1ujd s TYR 52 Cb -0.08 -0.58 -0.09 0.00 -1.10 0.00 0.00 41.96 40.11 1ujd s TYR 52 CO 0.00 -0.01 2.22 -0.89 -2.51 0.00 0.00 175.55 174.37 1ujd n ILE 53 N 2.41 0.24 0.12 -3.49 5.41 0.49 -3.14 119.36 121.39 1ujd n ILE 53 Ca -0.16 -0.37 -0.11 0.00 1.00 0.00 0.00 62.75 63.12 1ujd n ILE 53 Cb 0.56 -2.07 -0.07 0.00 -0.71 0.00 0.00 39.64 37.35 1ujd n ILE 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ujd h ALA 54 N 13.86 -0.36 -1.75 -1.39 0.00 -1.73 -2.97 119.26 124.92 1ujd h ALA 54 Ca -0.33 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.46 1ujd h ALA 54 Cb 1.28 0.14 -0.24 0.00 0.00 0.00 0.00 17.79 18.97 1ujd h ALA 54 CO 1.00 -0.42 0.20 0.21 0.00 0.00 0.00 179.25 180.24 1ujd s LYS 55 N -3.70 0.54 -1.23 0.00 2.47 -1.22 -4.82 119.74 111.78 1ujd s LYS 55 Ca -0.12 0.95 -0.20 0.00 -1.56 0.00 0.00 55.97 55.04 1ujd s LYS 55 Cb 0.01 0.14 0.01 0.00 -1.46 0.00 0.00 37.83 36.53 1ujd s LYS 55 CO 0.43 -0.12 1.79 0.42 0.16 0.00 0.00 175.35 178.04 1ujd s ILE 56 N 1.56 3.88 0.64 5.43 1.01 -1.26 -3.07 121.20 129.39 1ujd s ILE 56 Ca -0.09 -1.44 -0.18 0.00 0.00 0.00 0.00 60.65 58.94 1ujd s ILE 56 Cb -0.05 -4.93 -0.15 0.00 0.01 0.00 0.00 42.46 37.35 1ujd s ILE 56 CO -0.17 -1.62 -0.30 0.18 0.00 0.00 0.00 174.94 173.02 1ujd n LEU 57 N 10.71 -4.24 -4.55 2.97 4.32 -1.09 -4.72 117.00 120.40 1ujd n LEU 57 Ca 0.46 0.53 -0.38 0.00 -0.02 0.00 0.00 56.01 56.60 1ujd n LEU 57 Cb 0.47 -0.83 -0.03 0.00 -1.62 0.00 0.00 43.42 41.40 1ujd n LEU 57 CO 0.72 -5.11 1.39 -2.16 -1.22 0.00 0.00 177.39 171.02 1ujd s PRO 58 N -1.30 2.98 0.18 3.23 0.04 -1.26 -4.53 135.00 134.34 1ujd s PRO 58 Ca 0.52 -0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1ujd s PRO 58 Cb -0.41 -4.63 0.00 0.00 0.04 0.00 0.00 34.50 29.50 1ujd s PRO 58 CO 0.71 -2.56 0.00 0.41 0.04 0.00 0.00 177.00 175.59 1ujd n GLY 59 N 6.04 -0.18 0.00 0.56 0.00 -1.26 -5.05 105.19 105.29 1ujd n GLY 59 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 2.06 1.04 0.07 -0.02 0.00 -1.26 -5.01 105.19 102.08 1ujd n GLY 60 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.09 1.61 0.02 -1.82 -3.28 113.55 110.17 1ujd h SER 61 Ca 0.00 -0.45 -0.34 0.00 -0.84 0.00 0.00 61.79 60.16 1ujd h SER 61 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 1ujd h SER 61 CO 0.00 0.92 -2.25 0.00 -1.14 0.00 0.00 176.83 174.36 1ujd n ALA 62 N -2.99 1.56 0.30 3.77 0.00 -1.26 -4.07 120.51 117.82 1ujd n ALA 62 Ca -0.11 -1.20 0.17 0.00 0.00 0.00 0.00 53.44 52.30 1ujd n ALA 62 Cb 0.35 -0.32 0.80 0.00 0.00 0.00 0.00 19.45 20.28 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 0.00 0.00 4.57 -1.87 -2.94 114.58 114.34 1ujd h GLU 63 Ca -0.48 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1ujd h GLU 63 Cb 2.15 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.74 1ujd h GLU 63 CO 0.04 0.00 -0.01 1.96 -1.18 0.00 0.00 179.01 179.82 1ujd h GLN 64 N 0.00 0.00 -0.85 1.92 4.20 -1.71 -3.33 115.11 115.33 1ujd h GLN 64 Ca 0.00 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.90 1ujd h GLN 64 Cb 0.28 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.90 1ujd h GLN 64 CO 0.00 0.58 -0.13 0.25 -0.67 0.00 0.00 178.83 178.85 1ujd n THR 65 N -4.68 -0.36 0.00 -0.54 -2.24 -1.11 -4.74 114.28 100.61 1ujd n THR 65 Ca -0.06 1.93 0.00 0.00 -2.27 0.00 0.00 64.05 63.65 1ujd n THR 65 Cb 0.28 -2.72 0.00 0.00 -2.10 0.00 0.00 70.33 65.79 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 -1.50 1.80 0.31 3.38 0.00 -1.22 -4.71 105.19 103.25 1ujd n GLY 66 Ca 0.16 -0.33 0.21 0.00 0.00 0.00 0.00 46.02 46.06 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 -5.51 1.61 3.64 -1.86 -3.38 116.57 111.07 1ujd h LYS 67 Ca 0.00 0.00 -0.60 0.00 -1.27 0.00 0.00 60.65 58.78 1ujd h LYS 67 Cb 0.00 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.71 1ujd h LYS 67 CO 0.00 0.00 0.05 -0.51 -2.27 0.00 0.00 179.45 176.72 1ujd s LEU 68 N -5.83 4.10 -0.01 5.20 2.01 -1.26 -5.05 118.68 117.84 1ujd s LEU 68 Ca -0.04 0.68 0.00 0.00 0.01 0.00 0.00 54.13 54.78 1ujd s LEU 68 Cb 0.12 -2.77 0.01 0.00 0.01 0.00 0.00 46.19 43.56 1ujd s LEU 68 CO 0.37 -0.27 -0.01 -0.04 1.01 0.00 0.00 176.35 177.41 1ujd s MET 69 N 2.07 0.17 0.86 1.70 -1.94 -1.26 -4.90 119.30 116.01 1ujd s MET 69 Ca 0.25 -0.00 -0.16 0.00 -1.71 0.00 0.00 55.69 54.07 1ujd s MET 69 Cb -0.16 -0.24 -0.06 0.00 2.01 0.00 0.00 34.83 36.38 1ujd s MET 69 CO 0.09 -0.03 -0.02 0.39 -0.01 0.00 0.00 175.02 175.44 1ujd n GLU 70 N 3.45 -0.02 -0.46 2.03 1.02 -1.26 -2.09 120.64 123.31 1ujd n GLU 70 Ca -0.18 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1ujd n GLU 70 Cb 0.56 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 1ujd n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ujd n GLY 71 N 2.31 1.93 3.70 0.62 0.00 -1.12 -4.85 105.19 107.77 1ujd n GLY 71 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.05 4.45 -0.49 1.61 -1.94 -0.89 0.18 119.30 122.17 1ujd s MET 72 Ca 0.00 1.25 -0.29 0.00 -1.71 0.00 0.00 55.69 54.94 1ujd s MET 72 Cb 0.00 -3.50 0.03 0.00 2.01 0.00 0.00 34.83 33.36 1ujd s MET 72 CO 0.00 -0.16 1.19 -1.14 -0.01 0.00 0.00 175.02 174.90 1ujd s GLN 73 N 1.49 3.66 -0.10 2.03 0.74 -1.26 -0.38 119.66 125.84 1ujd s GLN 73 Ca 0.46 0.56 -0.30 0.00 0.05 0.00 0.00 55.36 56.14 1ujd s GLN 73 Cb -0.19 -3.95 -0.04 0.00 1.10 0.00 0.00 33.01 29.94 1ujd s GLN 73 CO 0.20 -1.47 1.43 0.08 -0.55 0.00 0.00 175.29 174.98 1ujd s VAL 74 N 4.72 3.94 -0.10 1.34 1.01 0.50 -3.55 120.40 128.26 1ujd s VAL 74 Ca 0.49 1.16 -0.19 0.00 0.00 0.00 0.00 61.98 63.45 1ujd s VAL 74 Cb -0.08 -3.75 -0.16 0.00 0.00 0.00 0.00 36.38 32.39 1ujd s VAL 74 CO 0.31 -0.09 0.62 -0.07 0.00 0.00 0.00 175.10 175.88 1ujd h LEU 75 N 9.71 -0.07 -8.01 3.92 3.38 0.12 -3.33 115.31 121.03 1ujd h LEU 75 Ca -0.33 -0.51 -0.11 0.00 0.09 0.00 0.00 57.88 57.02 1ujd h LEU 75 Cb 1.14 0.02 -0.16 0.00 0.09 0.00 0.00 40.66 41.75 1ujd h LEU 75 CO 0.95 0.64 -0.55 -1.61 0.09 0.00 0.00 178.44 177.96 1ujd s GLU 76 N -2.52 0.65 -0.03 1.13 2.02 -1.17 -3.90 118.70 114.88 1ujd s GLU 76 Ca -0.12 -0.98 0.02 0.00 0.02 0.00 0.00 54.97 53.91 1ujd s GLU 76 Cb -0.01 0.25 0.01 0.00 0.10 0.00 0.00 34.13 34.48 1ujd s GLU 76 CO 0.44 -0.16 -0.06 -0.46 0.02 0.00 0.00 175.26 175.04 1ujd s TRP 77 N -3.39 0.76 -0.33 1.61 -0.11 0.41 -1.35 118.94 116.53 1ujd s TRP 77 Ca 0.02 -0.19 0.00 0.00 1.22 0.00 0.00 56.10 57.15 1ujd s TRP 77 Cb 0.04 -0.59 0.00 0.00 -1.50 0.00 0.00 33.47 31.41 1ujd s TRP 77 CO -0.08 -0.12 0.00 0.27 -4.62 0.00 0.00 176.95 172.40 1ujd n ASN 78 N 3.54 -1.80 0.00 5.86 0.23 0.51 0.21 115.26 123.81 1ujd n ASN 78 Ca -0.20 0.37 0.00 0.00 -0.53 0.00 0.00 54.58 54.22 1ujd n ASN 78 Cb 0.53 -1.67 0.00 0.00 -2.08 0.00 0.00 39.78 36.56 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 -0.54 2.37 3.70 4.83 0.00 -1.26 -4.88 105.19 109.41 1ujd n GLY 79 Ca -0.04 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.94 3.39 0.49 -0.61 1.01 0.56 -4.97 121.20 120.12 1ujd s ILE 80 Ca 0.00 0.90 -0.20 0.00 0.00 0.00 0.00 60.65 61.34 1ujd s ILE 80 Cb 0.00 -3.57 -0.08 0.00 0.01 0.00 0.00 42.46 38.81 1ujd s ILE 80 CO 0.00 0.03 1.04 -2.16 0.00 0.00 0.00 174.94 173.85 1ujd s PRO 81 N 1.91 3.79 -0.05 2.79 0.04 -1.26 -0.45 135.00 141.77 1ujd s PRO 81 Ca 0.66 1.36 0.09 0.00 0.04 0.00 0.00 61.00 63.15 1ujd s PRO 81 Cb -0.35 -2.09 -0.13 0.00 0.04 0.00 0.00 34.50 31.96 1ujd s PRO 81 CO 0.29 -0.44 0.12 1.28 0.04 0.00 0.00 177.00 178.30 1ujd n LEU 82 N -0.98 0.00 -4.76 -3.56 4.77 -1.25 -4.89 117.00 106.33 1ujd n LEU 82 Ca 0.09 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.69 1ujd n LEU 82 Cb 0.52 0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.75 1ujd n LEU 82 CO 0.40 0.12 0.98 -0.89 -1.33 0.00 0.00 177.39 176.66 1ujd s THR 83 N -2.45 2.30 -0.87 -5.08 2.01 -1.26 -2.50 115.64 107.79 1ujd s THR 83 Ca -0.04 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.20 1ujd s THR 83 Cb 0.04 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1ujd s THR 83 CO 0.39 0.01 0.00 -0.24 -0.69 0.00 0.00 174.62 174.10 1ujd n SER 84 N -0.55 -3.41 -2.53 3.53 2.88 -1.10 -5.01 113.62 107.43 1ujd n SER 84 Ca 0.07 -0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.50 1ujd n SER 84 Cb 0.44 -2.65 -0.03 0.00 -0.75 0.00 0.00 64.21 61.22 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 -1.99 0.74 -4.70 -1.46 4.76 -1.04 -5.07 118.16 109.41 1ujd n LYS 85 Ca -0.12 -1.56 -0.31 0.00 -2.87 0.00 0.00 58.31 53.45 1ujd n LYS 85 Cb 0.58 0.87 -0.13 0.00 -1.84 0.00 0.00 35.03 34.52 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 -2.25 2.89 0.19 -0.18 -4.23 -1.26 -3.13 115.64 107.67 1ujd s THR 86 Ca 0.10 -1.08 -0.17 0.00 -1.18 0.00 0.00 61.69 59.37 1ujd s THR 86 Cb 0.00 -2.20 0.18 0.00 1.34 0.00 0.00 72.50 71.82 1ujd s THR 86 CO 0.07 0.39 1.36 0.00 -0.54 0.00 0.00 174.62 175.89 1ujd n TYR 87 N 1.69 -0.02 0.13 3.99 4.19 0.11 0.49 117.16 127.73 1ujd n TYR 87 Ca -0.16 1.08 -0.14 0.00 3.31 0.00 0.00 57.90 61.99 1ujd n TYR 87 Cb 0.52 -0.80 -0.07 0.00 0.49 0.00 0.00 39.34 39.48 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 -0.62 0.21 2.98 5.08 -1.96 0.41 114.58 120.69 1ujd h GLU 88 Ca 0.29 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1ujd h GLU 88 Cb 0.50 0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1ujd h GLU 88 CO -0.86 -0.41 -0.48 0.93 -1.00 0.00 0.00 179.01 177.18 1ujd h GLU 89 N -0.64 -0.75 -0.53 2.33 3.07 -0.77 -1.86 114.58 115.42 1ujd h GLU 89 Ca 0.02 0.05 0.11 0.00 -0.50 0.00 0.00 59.36 59.04 1ujd h GLU 89 Cb 0.66 0.17 -0.11 0.00 -0.84 0.00 0.00 28.75 28.63 1ujd h GLU 89 CO -0.21 -0.50 -0.23 0.28 -1.40 0.00 0.00 179.01 176.95 1ujd h VAL 90 N -0.78 0.31 -0.92 3.13 2.07 0.28 0.31 116.25 120.66 1ujd h VAL 90 Ca -0.01 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.77 1ujd h VAL 90 Cb 0.76 0.31 -0.15 0.00 -1.52 0.00 0.00 31.29 30.69 1ujd h VAL 90 CO -0.22 0.00 0.28 -0.61 0.02 0.00 0.00 177.57 177.04 1ujd h GLN 91 N -0.11 0.18 -0.38 1.57 4.15 0.51 1.67 115.11 122.70 1ujd h GLN 91 Ca 0.24 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.63 1ujd h GLN 91 Cb 0.49 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1ujd h GLN 91 CO -0.60 0.12 0.13 1.03 -1.93 0.00 0.00 178.83 177.58 1ujd h SER 92 N 0.19 0.50 0.06 -0.69 0.87 0.37 2.08 113.55 116.93 1ujd h SER 92 Ca 0.60 -0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 61.00 1ujd h SER 92 Cb 1.27 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 1ujd h SER 92 CO -0.69 0.47 -0.34 0.40 -0.53 0.00 0.00 176.83 176.15 1ujd h ILE 93 N 0.55 1.29 0.00 2.23 2.04 0.30 -3.18 117.51 120.73 1ujd h ILE 93 Ca 0.13 -1.40 -0.04 0.00 1.00 0.00 0.00 64.86 64.54 1ujd h ILE 93 Cb 0.14 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1ujd h ILE 93 CO -0.01 0.43 -0.40 0.40 0.00 0.00 0.00 178.15 178.58 1ujd h ILE 94 N 0.34 0.50 0.00 -0.67 1.08 0.26 -3.37 117.51 115.65 1ujd h ILE 94 Ca 0.04 -1.47 -0.40 0.00 -0.39 0.00 0.00 64.86 62.64 1ujd h ILE 94 Cb 0.76 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1ujd h ILE 94 CO 0.06 0.17 2.18 -0.24 -0.69 0.00 0.00 178.15 179.63 1ujd n SER 95 N -4.63 5.89 -2.66 1.72 2.88 0.69 -4.16 113.62 113.35 1ujd n SER 95 Ca -0.10 -2.38 -0.03 0.00 -1.33 0.00 0.00 58.87 55.04 1ujd n SER 95 Cb 0.30 -1.24 0.03 0.00 -0.75 0.00 0.00 64.21 62.55 1ujd n SER 95 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1ujd s GLN 96 N 2.44 0.09 0.38 -1.46 2.00 -1.20 -4.76 119.66 117.15 1ujd s GLN 96 Ca 0.53 -0.08 0.06 0.00 -2.00 0.00 0.00 55.36 53.87 1ujd s GLN 96 Cb 0.17 -0.00 -0.02 0.00 0.80 0.00 0.00 33.01 33.95 1ujd s GLN 96 CO -0.03 -0.11 0.23 1.04 -0.50 0.00 0.00 175.29 175.92 1ujd n GLN 97 N 2.66 0.48 -2.99 1.67 1.13 -1.26 -4.88 117.38 114.19 1ujd n GLN 97 Ca 0.10 -3.50 -0.23 0.00 -1.94 0.00 0.00 57.00 51.43 1ujd n GLN 97 Cb 0.66 2.46 -0.03 0.00 0.11 0.00 0.00 30.24 33.44 1ujd n GLN 97 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1ujd n SER 98 N -1.59 3.20 0.00 1.08 3.41 -1.26 -5.01 113.62 113.44 1ujd n SER 98 Ca 0.02 -3.43 0.00 0.00 -0.26 0.00 0.00 58.87 55.20 1ujd n SER 98 Cb 0.63 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1ujd n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujd n GLY 99 N -0.08 1.00 1.96 5.00 0.00 -1.26 -4.96 105.19 106.85 1ujd n GLY 99 Ca 0.29 -0.81 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.73 -3.64 1.61 1.02 -1.26 -4.45 120.64 110.19 1ujd n GLU 100 Ca 0.00 -0.90 -0.02 0.00 -0.02 0.00 0.00 57.16 56.22 1ujd n GLU 100 Cb 0.00 -1.16 -0.04 0.00 -0.02 0.00 0.00 31.44 30.22 1ujd n GLU 100 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ujd s ALA 101 N -2.11 -2.13 -0.07 0.62 0.00 0.15 -4.96 121.76 113.26 1ujd s ALA 101 Ca 0.41 1.89 0.02 0.00 0.00 0.00 0.00 51.96 54.28 1ujd s ALA 101 Cb -0.07 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1ujd s ALA 101 CO 0.34 -0.28 -0.10 -2.00 0.00 0.00 0.00 175.76 173.73 1ujd s GLU 102 N -1.15 2.75 0.11 0.00 2.12 -1.26 0.51 118.70 121.78 1ujd s GLU 102 Ca 0.09 -0.61 0.08 0.00 0.36 0.00 0.00 54.97 54.90 1ujd s GLU 102 Cb -0.01 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 1ujd s GLU 102 CO -0.07 0.60 -0.21 -1.50 -0.54 0.00 0.00 175.26 173.54 1ujd s ILE 103 N -0.65 1.76 -0.41 -3.70 2.07 -0.97 0.19 121.20 119.50 1ujd s ILE 103 Ca 0.10 -1.61 0.01 0.00 -1.41 0.00 0.00 60.65 57.74 1ujd s ILE 103 Cb -0.11 -1.63 0.14 0.00 0.13 0.00 0.00 42.46 40.99 1ujd s ILE 103 CO 0.01 -0.09 0.24 0.00 -1.91 0.00 0.00 174.94 173.20 1ujd s VAL 105 N 0.59 4.81 -0.17 0.00 -7.23 -1.22 0.15 120.40 117.33 1ujd s VAL 105 Ca 0.19 -1.01 -0.10 0.00 -1.81 0.00 0.00 61.98 59.25 1ujd s VAL 105 Cb -0.21 -3.50 -0.05 0.00 0.56 0.00 0.00 36.38 33.18 1ujd s VAL 105 CO -0.02 -0.17 0.15 -0.60 -0.31 0.00 0.00 175.10 174.16 1ujd s ARG 106 N -3.37 3.96 0.00 4.82 3.52 -1.23 -2.22 118.95 124.44 1ujd s ARG 106 Ca 0.33 -0.15 -0.01 0.00 -0.13 0.00 0.00 55.73 55.76 1ujd s ARG 106 Cb -0.10 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.94 1ujd s ARG 106 CO 0.26 0.45 1.02 -0.07 -0.81 0.00 0.00 175.30 176.15 1ujd h LEU 107 N 6.12 -0.05 -8.63 -0.88 3.38 0.79 -3.38 115.31 112.67 1ujd h LEU 107 Ca -0.45 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 56.99 1ujd h LEU 107 Cb 1.18 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1ujd h LEU 107 CO 0.70 -0.03 1.33 -1.81 0.09 0.00 0.00 178.44 178.72 1ujd s ASP 108 N -2.18 5.48 0.00 -0.43 1.11 -1.23 -4.82 116.67 114.60 1ujd s ASP 108 Ca -0.01 0.71 0.00 0.00 0.18 0.00 0.00 52.55 53.43 1ujd s ASP 108 Cb 0.00 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.46 1ujd s ASP 108 CO 0.02 -2.14 0.00 0.18 1.18 0.00 0.00 175.17 174.41 1ujd n LEU 109 N 11.93 0.00 -3.15 1.23 4.77 -1.26 -4.95 117.00 125.58 1ujd n LEU 109 Ca 0.22 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.25 1ujd n LEU 109 Cb 0.50 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1ujd n LEU 109 CO 0.70 0.00 0.61 0.21 -1.33 0.00 0.00 177.39 177.58 1ujd s ASN 110 N 0.00 -0.36 -0.37 -1.43 3.84 -1.24 -4.80 114.94 110.57 1ujd s ASN 110 Ca 0.00 0.18 -0.27 0.00 0.21 0.00 0.00 52.86 52.98 1ujd s ASN 110 Cb 0.00 1.29 0.02 0.00 -0.55 0.00 0.00 41.25 42.00 1ujd s ASN 110 CO 0.00 -0.07 0.98 -0.04 -2.79 0.00 0.00 177.10 175.18 1ujd s MET 111 N 2.96 3.87 0.43 0.43 -1.94 0.47 -5.00 119.30 120.53 1ujd s MET 111 Ca 0.04 0.68 -0.26 0.00 -1.71 0.00 0.00 55.69 54.43 1ujd s MET 111 Cb -0.08 -3.80 -0.09 0.00 2.01 0.00 0.00 34.83 32.87 1ujd s MET 111 CO -0.13 -0.99 1.45 0.45 -0.01 0.00 0.00 175.02 175.79 1ujd s SER 112 N 1.90 5.98 0.06 3.03 0.15 -1.26 -4.54 113.70 119.02 1ujd s SER 112 Ca 0.41 2.97 -0.07 0.00 0.70 0.00 0.00 55.95 59.96 1ujd s SER 112 Cb -0.11 -2.66 -0.01 0.00 -1.71 0.00 0.00 66.02 61.53 1ujd s SER 112 CO 0.19 -1.11 0.13 -0.83 1.20 0.00 0.00 173.24 172.82 1ujd s GLY 113 N -0.40 0.17 1.09 9.45 0.00 -1.26 -5.10 107.32 111.27 1ujd s GLY 113 Ca 0.59 -0.66 -0.18 0.00 0.00 0.00 0.00 44.72 44.47 1ujd s GLY 113 CO 0.58 -0.82 1.22 2.56 0.00 0.00 0.00 173.10 176.65 1ujd s PRO 114 N -3.40 -0.38 0.05 2.90 0.04 -1.26 -5.05 135.00 127.90 1ujd s PRO 114 Ca 0.02 -0.28 -0.10 0.00 0.04 0.00 0.00 61.00 60.67 1ujd s PRO 114 Cb 0.03 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.80 1ujd s PRO 114 CO -0.08 -3.12 0.38 -1.12 0.04 0.00 0.00 177.00 173.10 1ujd s SER 115 N -4.43 6.64 -0.63 6.66 0.01 -1.26 -5.03 113.70 115.66 1ujd s SER 115 Ca 0.73 0.78 -0.28 0.00 1.31 0.00 0.00 55.95 58.50 1ujd s SER 115 Cb -0.06 -2.18 0.03 0.00 0.21 0.00 0.00 66.02 64.02 1ujd s SER 115 CO 0.55 0.21 1.26 -0.55 0.41 0.00 0.00 173.24 175.12 1ujd s SER 116 N -1.62 6.29 0.00 2.44 0.15 -1.26 -5.37 113.70 114.33 1ujd s SER 116 Ca 0.30 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1ujd s SER 116 Cb -0.14 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 1ujd s SER 116 CO 0.17 -1.64 0.00 0.61 1.20 0.00 0.00 173.24 173.57