#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 0.00 -4.40 1.61 7.64 -1.26 -5.12 113.62 112.09 1ujd n SER 2 Ca 0.00 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.44 1ujd n SER 2 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.00 6.19 0.00 6.43 0.01 -1.26 -4.84 113.70 120.24 1ujd s SER 3 Ca 0.00 -1.21 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1ujd s SER 3 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1ujd s SER 3 CO 0.00 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.42 1ujd n GLY 4 N 5.21 3.12 3.66 3.44 0.00 -1.26 -5.10 105.19 114.26 1ujd n GLY 4 Ca -0.10 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 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 6.57 -0.68 1.61 0.01 -1.26 -5.02 113.70 114.93 1ujd s SER 5 Ca 0.00 0.69 -0.18 0.00 1.31 0.00 0.00 55.95 57.77 1ujd s SER 5 Cb 0.00 -2.30 0.13 0.00 0.21 0.00 0.00 66.02 64.07 1ujd s SER 5 CO 0.00 -0.18 0.76 -0.94 0.41 0.00 0.00 173.24 173.29 1ujd s SER 6 N 1.15 6.36 -0.41 2.44 1.04 -1.26 -4.98 113.70 118.04 1ujd s SER 6 Ca 0.24 -1.80 0.03 0.00 0.48 0.00 0.00 55.95 54.90 1ujd s SER 6 Cb -0.15 -2.29 0.12 0.00 0.10 0.00 0.00 66.02 63.79 1ujd s SER 6 CO 0.10 -0.98 0.16 -0.83 0.98 0.00 0.00 173.24 172.66 1ujd s GLY 7 N 3.35 1.90 -0.26 7.32 0.00 -1.26 -5.06 107.32 113.31 1ujd s GLY 7 Ca 0.15 -2.64 -0.17 0.00 0.00 0.00 0.00 44.72 42.07 1ujd s GLY 7 CO 0.01 1.19 0.65 -1.58 0.00 0.00 0.00 173.10 173.36 1ujd s HIS 8 N 0.54 -0.93 1.15 1.90 2.46 -1.26 -5.16 115.29 113.98 1ujd s HIS 8 Ca 0.14 1.94 -0.13 0.00 0.47 0.00 0.00 55.06 57.49 1ujd s HIS 8 Cb -0.22 0.50 0.27 0.00 -0.13 0.00 0.00 32.58 33.00 1ujd s HIS 8 CO -0.07 -0.47 0.99 0.66 -2.47 0.00 0.00 174.74 173.39 1ujd n TYR 9 N 3.96 -1.05 0.23 3.88 4.01 -1.26 -4.90 117.16 122.04 1ujd n TYR 9 Ca -0.19 -0.08 0.13 0.00 -0.16 0.00 0.00 57.90 57.59 1ujd n TYR 9 Cb 0.58 -1.73 0.29 0.00 -0.31 0.00 0.00 39.34 38.17 1ujd n TYR 9 CO 0.00 0.00 0.00 -0.84 -0.46 0.00 0.00 176.86 175.56 1ujd h ILE 10 N -2.59 0.04 -2.08 -0.72 3.07 -2.05 -3.45 117.51 109.73 1ujd h ILE 10 Ca -0.59 -0.93 -0.46 0.00 1.55 0.00 0.00 64.86 64.42 1ujd h ILE 10 Cb 1.33 1.90 -0.01 0.00 -0.27 0.00 0.00 36.82 39.76 1ujd h ILE 10 CO 0.48 0.02 -0.43 0.72 -1.05 0.00 0.00 178.15 177.89 1ujd s PHE 11 N -3.32 3.29 -0.19 0.16 -0.12 -1.26 -5.06 117.98 111.48 1ujd s PHE 11 Ca 0.05 -0.10 -0.29 0.00 -0.05 0.00 0.00 56.93 56.55 1ujd s PHE 11 Cb 0.06 -1.65 -0.01 0.00 -0.63 0.00 0.00 43.02 40.79 1ujd s PHE 11 CO 0.64 0.34 1.29 -1.25 -0.05 0.00 0.00 175.22 176.19 1ujd s PRO 12 N -4.00 4.17 0.25 1.99 0.04 -1.26 -4.99 135.00 131.20 1ujd s PRO 12 Ca 0.37 1.61 0.05 0.00 0.04 0.00 0.00 61.00 63.06 1ujd s PRO 12 Cb -0.09 -3.80 -0.05 0.00 0.04 0.00 0.00 34.50 30.60 1ujd s PRO 12 CO 0.29 -0.79 -0.02 -3.38 0.04 0.00 0.00 177.00 173.14 1ujd s HIS 13 N 3.70 1.71 -0.28 0.56 -3.43 -1.26 0.00 115.29 116.29 1ujd s HIS 13 Ca 0.56 -0.85 0.00 0.00 -0.80 0.00 0.00 55.06 53.97 1ujd s HIS 13 Cb -0.21 -1.00 0.08 0.00 -1.43 0.00 0.00 32.58 30.03 1ujd s HIS 13 CO 0.17 0.07 0.03 0.00 -2.00 0.00 0.00 174.74 173.01 1ujd s ALA 14 N -3.28 1.88 -0.76 -1.38 0.00 -0.19 -4.70 121.76 113.32 1ujd s ALA 14 Ca 0.29 -1.64 -0.18 0.00 0.00 0.00 0.00 51.96 50.43 1ujd s ALA 14 Cb 0.05 -1.58 0.13 0.00 0.00 0.00 0.00 23.12 21.72 1ujd s ALA 14 CO 0.10 -1.47 0.90 1.03 0.00 0.00 0.00 175.76 176.32 1ujd s ARG 15 N 1.43 3.35 0.30 0.00 0.52 -1.26 -3.37 118.95 119.92 1ujd s ARG 15 Ca 0.04 -1.62 0.08 0.00 -0.52 0.00 0.00 55.73 53.71 1ujd s ARG 15 Cb -0.18 -4.53 -0.04 0.00 0.52 0.00 0.00 34.95 30.73 1ujd s ARG 15 CO -0.14 -1.62 0.15 0.42 0.02 0.00 0.00 175.30 174.13 1ujd s ILE 16 N 2.43 3.57 0.43 1.52 1.09 -1.18 -5.01 121.20 124.06 1ujd s ILE 16 Ca 0.22 -1.61 0.07 0.00 -1.10 0.00 0.00 60.65 58.23 1ujd s ILE 16 Cb -0.14 -3.09 -0.02 0.00 -1.06 0.00 0.00 42.46 38.15 1ujd s ILE 16 CO -0.02 -0.27 0.33 -1.59 -0.10 0.00 0.00 174.94 173.30 1ujd s LYS 17 N -3.83 2.42 -0.18 2.79 -2.85 -1.26 -2.06 119.74 114.76 1ujd s LYS 17 Ca 0.36 -1.68 0.01 0.00 -1.00 0.00 0.00 55.97 53.65 1ujd s LYS 17 Cb -0.05 -2.24 0.03 0.00 -2.06 0.00 0.00 37.83 33.51 1ujd s LYS 17 CO 0.23 -0.23 -0.12 0.42 0.10 0.00 0.00 175.35 175.75 1ujd s ILE 18 N -2.55 1.64 0.01 3.79 -1.09 -1.02 -4.87 121.20 117.13 1ujd s ILE 18 Ca 0.45 -0.87 0.07 0.00 -2.23 0.00 0.00 60.65 58.08 1ujd s ILE 18 Cb -0.01 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.20 1ujd s ILE 18 CO 0.26 0.30 -0.22 0.42 -1.23 0.00 0.00 174.94 174.47 1ujd s THR 19 N 1.42 2.49 -0.22 2.92 -4.23 -1.26 -2.86 115.64 113.90 1ujd s THR 19 Ca 0.01 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 1ujd s THR 19 Cb -0.15 -1.97 0.05 0.00 1.34 0.00 0.00 72.50 71.77 1ujd s THR 19 CO -0.09 0.44 -0.11 -0.60 -0.54 0.00 0.00 174.62 173.72 1ujd s ARG 20 N -1.07 2.17 -0.42 3.99 3.00 -1.26 -4.65 118.95 120.70 1ujd s ARG 20 Ca 0.12 -1.00 -0.19 0.00 -1.00 0.00 0.00 55.73 53.66 1ujd s ARG 20 Cb -0.10 -2.59 0.02 0.00 0.00 0.00 0.00 34.95 32.28 1ujd s ARG 20 CO 0.02 -0.46 0.55 0.34 0.00 0.00 0.00 175.30 175.76 1ujd s ASP 21 N 1.30 6.27 0.10 -2.12 2.15 -1.26 -4.99 116.67 118.13 1ujd s ASP 21 Ca -0.03 -0.44 -0.26 0.00 0.43 0.00 0.00 52.55 52.25 1ujd s ASP 21 Cb -0.17 -2.28 0.08 0.00 -0.30 0.00 0.00 42.92 40.25 1ujd s ASP 21 CO -0.08 -0.68 1.09 -0.55 -0.17 0.00 0.00 175.17 174.78 1ujd s SER 22 N 1.91 -0.10 0.53 -0.34 0.15 -1.26 -5.17 113.70 109.41 1ujd s SER 22 Ca 0.18 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.46 1ujd s SER 22 Cb -0.15 0.38 0.02 0.00 -1.71 0.00 0.00 66.02 64.55 1ujd s SER 22 CO 0.16 -0.71 0.78 -0.75 1.20 0.00 0.00 173.24 173.92 1ujd s LYS 23 N -2.80 2.80 -0.61 5.44 2.20 -1.26 -5.03 119.74 120.48 1ujd s LYS 23 Ca 0.15 -0.45 -0.21 0.00 -0.36 0.00 0.00 55.97 55.10 1ujd s LYS 23 Cb 0.00 -2.44 0.08 0.00 -1.51 0.00 0.00 37.83 33.96 1ujd s LYS 23 CO 0.01 -0.58 0.84 -0.51 -0.36 0.00 0.00 175.35 174.75 1ujd s ASP 24 N -4.32 6.20 -0.54 1.43 1.01 -1.26 -4.93 116.67 114.25 1ujd s ASP 24 Ca 0.53 -1.07 0.05 0.00 0.71 0.00 0.00 52.55 52.76 1ujd s ASP 24 Cb -0.10 -2.37 0.17 0.00 1.01 0.00 0.00 42.92 41.63 1ujd s ASP 24 CO 0.40 -1.26 0.42 1.57 0.21 0.00 0.00 175.17 176.51 1ujd n HIS 25 N 7.07 0.95 -0.60 4.23 -0.00 -1.26 -5.10 115.22 120.51 1ujd n HIS 25 Ca -0.06 -3.76 0.00 0.00 0.46 0.00 0.00 57.72 54.37 1ujd n HIS 25 Cb 0.45 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 30.17 1ujd n HIS 25 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1ujd n THR 26 N 2.39 0.00 -3.64 3.57 -2.24 -1.26 -4.29 114.28 108.81 1ujd n THR 26 Ca 0.26 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.64 1ujd n THR 26 Cb 0.42 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.55 1ujd n THR 26 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ujd s VAL 27 N 0.00 4.14 -0.20 2.28 1.01 -1.26 -4.93 120.40 121.44 1ujd s VAL 27 Ca 0.00 -1.30 -0.15 0.00 0.00 0.00 0.00 61.98 60.53 1ujd s VAL 27 Cb 0.00 -3.47 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 1ujd s VAL 27 CO 0.00 -0.41 -0.15 -0.24 0.00 0.00 0.00 175.10 174.31 1ujd n SER 28 N 4.89 1.88 0.00 3.32 2.88 -1.26 -5.12 113.62 120.21 1ujd n SER 28 Ca -0.10 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1ujd n SER 28 Cb 0.44 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 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 1.46 -0.93 2.70 0.46 0.00 -1.26 -5.12 105.19 102.49 1ujd n GLY 29 Ca -0.26 -1.50 -0.03 0.00 0.00 0.00 0.00 46.02 44.24 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 3.00 -4.63 -4.39 1.61 4.13 -1.26 -4.93 115.26 108.80 1ujd n ASN 30 Ca 0.00 1.35 -0.45 0.00 1.68 0.00 0.00 54.58 57.17 1ujd n ASN 30 Cb 0.00 -5.08 -0.07 0.00 -1.54 0.00 0.00 39.78 33.09 1ujd n ASN 30 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1ujd s GLY 31 N -1.15 2.02 0.00 7.41 0.00 -1.26 -4.76 107.32 109.58 1ujd s GLY 31 Ca -0.13 -2.12 0.00 0.00 0.00 0.00 0.00 44.72 42.48 1ujd s GLY 31 CO 0.74 1.12 0.00 1.04 0.00 0.00 0.00 173.10 176.00 1ujd n LEU 32 N 5.33 0.00 0.00 0.66 4.77 -1.26 -4.35 117.00 122.15 1ujd n LEU 32 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1ujd n LEU 32 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1ujd n LEU 32 CO 0.49 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1ujd n GLY 33 N 0.00 0.78 3.43 -0.72 0.00 -1.26 -0.58 105.19 106.84 1ujd n GLY 33 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.08 -0.01 -0.30 -0.61 2.07 -1.26 -3.17 121.20 117.85 1ujd s ILE 34 Ca 0.00 0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.30 1ujd s ILE 34 Cb 0.00 -0.76 0.08 0.00 0.13 0.00 0.00 42.46 41.91 1ujd s ILE 34 CO 0.00 0.01 -0.03 -0.13 -1.91 0.00 0.00 174.94 172.88 1ujd s ARG 35 N 0.91 1.98 -0.22 3.50 1.81 0.73 -4.92 118.95 122.74 1ujd s ARG 35 Ca -0.05 -1.55 -0.05 0.00 -1.72 0.00 0.00 55.73 52.37 1ujd s ARG 35 Cb -0.05 -3.05 -0.02 0.00 -0.45 0.00 0.00 34.95 31.38 1ujd s ARG 35 CO -0.08 -0.72 -0.01 0.42 -0.68 0.00 0.00 175.30 174.23 1ujd s ILE 36 N 1.04 3.68 -0.22 1.52 1.01 -1.26 0.12 121.20 127.09 1ujd s ILE 36 Ca -0.01 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.14 1ujd s ILE 36 Cb -0.20 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.54 1ujd s ILE 36 CO -0.06 0.41 0.14 -0.69 0.00 0.00 0.00 174.94 174.75 1ujd s VAL 37 N 1.36 5.36 0.00 2.92 1.01 -0.23 -4.76 120.40 126.06 1ujd s VAL 37 Ca 0.04 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1ujd s VAL 37 Cb -0.14 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1ujd s VAL 37 CO -0.00 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.09 1ujd n GLY 38 N 3.96 1.20 4.34 4.51 0.00 -1.26 -1.76 105.19 116.17 1ujd n GLY 38 Ca -0.15 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 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 5.00 -0.20 3.24 -0.02 0.00 -1.03 -4.30 105.19 107.87 1ujd n GLY 39 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -7.27 2.29 0.58 1.61 2.47 -0.62 -4.85 119.74 113.94 1ujd s LYS 40 Ca 0.22 -0.83 -0.20 0.00 -1.56 0.00 0.00 55.97 53.60 1ujd s LYS 40 Cb -0.13 -1.98 -0.04 0.00 -1.46 0.00 0.00 37.83 34.22 1ujd s LYS 40 CO 1.00 0.37 1.24 0.39 0.16 0.00 0.00 175.35 178.51 1ujd n GLU 41 N 2.92 1.35 -3.88 4.03 1.02 -1.26 0.77 120.64 125.59 1ujd n GLU 41 Ca -0.17 0.51 -0.35 0.00 -0.02 0.00 0.00 57.16 57.12 1ujd n GLU 41 Cb 0.52 -2.45 -0.14 0.00 -0.02 0.00 0.00 31.44 29.35 1ujd n GLU 41 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ujd s ILE 42 N -1.36 3.50 -1.11 -3.67 1.01 -0.21 -4.75 121.20 114.61 1ujd s ILE 42 Ca 0.75 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 60.76 1ujd s ILE 42 Cb -0.41 -2.61 -0.06 0.00 0.01 0.00 0.00 42.46 39.39 1ujd s ILE 42 CO 0.47 0.40 2.06 -0.81 0.00 0.00 0.00 174.94 177.06 1ujd n PRO 43 N 4.81 2.17 0.00 2.79 -0.04 -1.26 -3.10 135.00 140.37 1ujd n PRO 43 Ca -0.18 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 1ujd n PRO 43 Cb 0.51 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 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 4.41 0.00 3.45 0.55 0.00 -1.26 -4.97 105.19 107.37 1ujd n GLY 44 Ca 0.51 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.38 1ujd n GLY 44 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ujd s HIS 45 N 0.00 -0.58 -1.06 1.61 5.04 -1.18 -5.06 115.29 114.05 1ujd s HIS 45 Ca 0.00 0.61 -0.22 0.00 -1.54 0.00 0.00 55.06 53.90 1ujd s HIS 45 Cb 0.00 0.51 -0.11 0.00 0.04 0.00 0.00 32.58 33.02 1ujd s HIS 45 CO 0.00 -0.77 1.92 0.45 -2.34 0.00 0.00 174.74 174.01 1ujd n SER 46 N 0.07 2.94 -3.65 9.88 2.88 -1.26 -4.18 113.62 120.29 1ujd n SER 46 Ca -0.18 -2.70 -0.24 0.00 -1.33 0.00 0.00 58.87 54.43 1ujd n SER 46 Cb 0.62 -1.56 0.01 0.00 -0.75 0.00 0.00 64.21 62.54 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 5.42 -1.18 3.17 0.46 0.00 -1.26 -4.99 105.19 106.82 1ujd n GLY 47 Ca 0.46 0.51 -0.22 0.00 0.00 0.00 0.00 46.02 46.77 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 -5.06 1.14 0.24 1.61 2.56 -1.26 -5.05 118.70 112.87 1ujd s GLU 48 Ca 0.16 -0.77 0.05 0.00 0.00 0.00 0.00 54.97 54.42 1ujd s GLU 48 Cb -0.07 -1.18 -0.03 0.00 2.00 0.00 0.00 34.13 34.85 1ujd s GLU 48 CO 0.87 0.30 0.32 0.96 -0.56 0.00 0.00 175.26 177.15 1ujd s ILE 49 N -0.72 5.10 0.00 -3.70 -4.36 -1.26 -1.04 121.20 115.22 1ujd s ILE 49 Ca 0.04 -1.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.39 1ujd s ILE 49 Cb -0.08 -3.76 0.00 0.00 1.25 0.00 0.00 42.46 39.87 1ujd s ILE 49 CO 0.01 -0.32 0.00 0.61 0.24 0.00 0.00 174.94 175.48 1ujd n GLY 50 N -1.30 2.33 3.29 6.27 0.00 0.23 -0.04 105.19 115.97 1ujd n GLY 50 Ca -0.09 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.03 2.15 0.08 4.61 0.00 -1.24 -1.59 121.76 124.75 1ujd s ALA 51 Ca 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 1ujd s ALA 51 Cb 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1ujd s ALA 51 CO 0.00 0.47 0.04 1.52 0.00 0.00 0.00 175.76 177.79 1ujd s TYR 52 N -0.39 0.55 -0.52 0.00 1.13 -0.72 -0.40 117.35 116.99 1ujd s TYR 52 Ca 0.03 -1.02 -0.27 0.00 -1.41 0.00 0.00 57.07 54.40 1ujd s TYR 52 Cb -0.12 -0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 40.38 1ujd s TYR 52 CO 0.01 -0.46 1.83 0.42 -2.51 0.00 0.00 175.55 174.84 1ujd s ILE 53 N -3.95 3.42 -0.05 -3.49 1.01 -0.32 -1.07 121.20 116.74 1ujd s ILE 53 Ca 0.12 0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.92 1ujd s ILE 53 Cb 0.07 -3.86 -0.11 0.00 0.01 0.00 0.00 42.46 38.57 1ujd s ILE 53 CO -0.07 -0.75 0.66 0.00 0.00 0.00 0.00 174.94 174.78 1ujd h ALA 54 N 14.22 -0.32 -3.30 9.38 0.00 0.57 0.24 119.26 140.05 1ujd h ALA 54 Ca -0.28 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 1ujd h ALA 54 Cb 1.16 0.13 -0.24 0.00 0.00 0.00 0.00 17.79 18.83 1ujd h ALA 54 CO 1.16 -0.34 -0.68 0.21 0.00 0.00 0.00 179.25 179.60 1ujd s LYS 55 N -3.11 0.18 -0.37 0.00 2.47 -0.84 -4.51 119.74 113.56 1ujd s LYS 55 Ca -0.09 -0.28 -0.06 0.00 -1.56 0.00 0.00 55.97 53.98 1ujd s LYS 55 Cb 0.00 0.07 0.07 0.00 -1.46 0.00 0.00 37.83 36.51 1ujd s LYS 55 CO 0.32 -0.03 0.15 0.42 0.16 0.00 0.00 175.35 176.37 1ujd s ILE 56 N -0.73 3.66 0.55 5.43 1.01 -1.26 -0.19 121.20 129.66 1ujd s ILE 56 Ca -0.08 -1.46 -0.18 0.00 0.00 0.00 0.00 60.65 58.93 1ujd s ILE 56 Cb -0.05 -3.22 -0.15 0.00 0.01 0.00 0.00 42.46 39.05 1ujd s ILE 56 CO -0.00 -0.38 -0.15 0.18 0.00 0.00 0.00 174.94 174.59 1ujd n LEU 57 N 4.76 -3.67 -4.80 2.97 7.99 -1.19 -4.87 117.00 118.20 1ujd n LEU 57 Ca -0.10 0.62 -0.34 0.00 -0.01 0.00 0.00 56.01 56.18 1ujd n LEU 57 Cb 0.43 -0.86 -0.04 0.00 -0.11 0.00 0.00 43.42 42.85 1ujd n LEU 57 CO 0.33 -4.82 0.72 -2.16 -1.51 0.00 0.00 177.39 169.95 1ujd s PRO 58 N -1.14 3.85 -0.06 3.23 0.04 -1.26 -3.33 135.00 136.34 1ujd s PRO 58 Ca 0.56 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1ujd s PRO 58 Cb -0.47 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1ujd s PRO 58 CO 0.67 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.73 1ujd n GLY 59 N -0.17 -0.48 1.15 0.56 0.00 -1.26 -4.87 105.19 100.11 1ujd n GLY 59 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.50 -0.38 0.08 -0.02 0.00 -1.21 -4.97 105.19 98.19 1ujd n GLY 60 Ca -0.01 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.37 -0.05 -0.11 1.61 0.02 -1.06 -2.91 113.55 110.69 1ujd h SER 61 Ca -0.11 -0.47 0.03 0.00 -0.84 0.00 0.00 61.79 60.39 1ujd h SER 61 Cb 0.36 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 1ujd h SER 61 CO 0.10 0.66 0.17 0.00 -1.14 0.00 0.00 176.83 176.61 1ujd h ALA 62 N -0.45 1.58 0.00 3.77 0.00 -1.77 0.82 119.26 123.21 1ujd h ALA 62 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ujd h ALA 62 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ujd h ALA 62 CO 0.01 -0.22 -0.06 1.49 0.00 0.00 0.00 179.25 180.47 1ujd h GLU 63 N 0.00 0.00 0.12 0.00 4.81 -1.80 -3.29 114.58 114.43 1ujd h GLU 63 Ca 0.05 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.09 1ujd h GLU 63 Cb 0.38 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.78 1ujd h GLU 63 CO -0.00 0.00 -0.87 -0.56 -0.73 0.00 0.00 179.01 176.85 1ujd h GLN 64 N 0.00 0.26 -0.94 1.92 3.07 0.86 -3.31 115.11 116.97 1ujd h GLN 64 Ca 0.00 -0.44 0.39 0.00 0.09 0.00 0.00 58.65 58.70 1ujd h GLN 64 Cb 0.90 0.16 -0.17 0.00 0.08 0.00 0.00 27.48 28.45 1ujd h GLN 64 CO 0.00 1.21 0.51 0.25 0.09 0.00 0.00 178.83 180.89 1ujd n THR 65 N -4.13 -0.39 0.00 1.86 -2.24 -0.87 -4.73 114.28 103.77 1ujd n THR 65 Ca -0.16 1.91 0.00 0.00 -2.27 0.00 0.00 64.05 63.52 1ujd n THR 65 Cb 0.81 -3.10 0.00 0.00 -2.10 0.00 0.00 70.33 65.94 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 -1.24 1.79 0.21 3.38 0.00 -1.25 -4.74 105.19 103.34 1ujd n GLY 66 Ca 0.36 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.49 -6.03 1.61 1.57 -1.87 -3.43 116.57 107.93 1ujd h LYS 67 Ca 0.00 0.03 -0.81 0.00 -1.87 0.00 0.00 60.65 58.01 1ujd h LYS 67 Cb 0.00 0.11 0.04 0.00 0.08 0.00 0.00 32.23 32.46 1ujd h LYS 67 CO 0.00 -0.33 0.32 1.28 -0.57 0.00 0.00 179.45 180.15 1ujd n LEU 68 N -3.86 0.60 -3.93 2.94 7.99 -1.26 -4.94 117.00 114.54 1ujd n LEU 68 Ca -0.06 1.16 -0.13 0.00 -0.01 0.00 0.00 56.01 56.96 1ujd n LEU 68 Cb 0.20 -0.94 -0.14 0.00 -0.11 0.00 0.00 43.42 42.43 1ujd n LEU 68 CO 0.15 -1.45 -0.38 -0.04 -1.51 0.00 0.00 177.39 174.16 1ujd s MET 69 N 1.11 0.24 0.42 3.23 -1.94 -1.26 -4.88 119.30 116.21 1ujd s MET 69 Ca 0.95 -0.18 -0.25 0.00 -1.71 0.00 0.00 55.69 54.50 1ujd s MET 69 Cb -1.31 -0.18 -0.10 0.00 2.01 0.00 0.00 34.83 35.25 1ujd s MET 69 CO 0.64 0.05 1.06 0.39 -0.01 0.00 0.00 175.02 177.14 1ujd n GLU 70 N 2.79 1.45 0.00 2.03 4.71 -1.26 -1.58 120.64 128.78 1ujd n GLU 70 Ca -0.14 0.52 0.00 0.00 -0.01 0.00 0.00 57.16 57.53 1ujd n GLU 70 Cb 0.58 -2.09 0.00 0.00 -1.01 0.00 0.00 31.44 28.92 1ujd n GLU 70 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ujd n GLY 71 N 1.12 2.88 3.64 0.62 0.00 0.84 -4.67 105.19 109.64 1ujd n GLY 71 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 1ujd n GLY 71 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ujd n MET 72 N -0.17 1.75 -3.01 1.61 2.81 -0.61 -2.09 117.12 117.40 1ujd n MET 72 Ca 0.00 0.61 -0.40 0.00 -1.81 0.00 0.00 57.70 56.10 1ujd n MET 72 Cb 0.00 -2.10 -0.05 0.00 -0.71 0.00 0.00 33.22 30.36 1ujd n MET 72 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1ujd s GLN 73 N -1.62 4.36 -0.41 0.03 0.74 -1.26 -1.18 119.66 120.32 1ujd s GLN 73 Ca 0.58 0.87 -0.15 0.00 0.05 0.00 0.00 55.36 56.71 1ujd s GLN 73 Cb -0.64 -3.51 0.02 0.00 1.10 0.00 0.00 33.01 29.99 1ujd s GLN 73 CO 0.60 -0.10 0.30 0.08 -0.55 0.00 0.00 175.29 175.63 1ujd s VAL 74 N 1.37 5.22 -0.02 1.34 1.01 0.46 -1.04 120.40 128.73 1ujd s VAL 74 Ca 0.36 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 1ujd s VAL 74 Cb -0.17 -3.92 -0.17 0.00 0.00 0.00 0.00 36.38 32.12 1ujd s VAL 74 CO 0.15 -0.33 1.07 -0.07 0.00 0.00 0.00 175.10 175.93 1ujd h LEU 75 N 8.63 -0.23 -8.71 3.92 3.38 -0.83 -3.35 115.31 118.11 1ujd h LEU 75 Ca -0.27 -0.30 -0.29 0.00 0.09 0.00 0.00 57.88 57.11 1ujd h LEU 75 Cb 1.12 0.06 -0.15 0.00 0.09 0.00 0.00 40.66 41.78 1ujd h LEU 75 CO 0.74 0.24 -0.64 -1.61 0.09 0.00 0.00 178.44 177.26 1ujd s GLU 76 N -4.03 1.21 -0.10 1.13 2.02 -0.63 -3.49 118.70 114.81 1ujd s GLU 76 Ca -0.14 -1.62 -0.04 0.00 0.02 0.00 0.00 54.97 53.19 1ujd s GLU 76 Cb 0.01 -0.16 0.05 0.00 0.10 0.00 0.00 34.13 34.14 1ujd s GLU 76 CO 0.53 -0.23 0.22 -0.46 0.02 0.00 0.00 175.26 175.34 1ujd s TRP 77 N -3.78 -0.31 -1.39 1.61 -0.11 0.00 -0.37 118.94 114.59 1ujd s TRP 77 Ca 0.30 0.78 -0.04 0.00 1.22 0.00 0.00 56.10 58.37 1ujd s TRP 77 Cb 0.07 -0.07 0.02 0.00 -1.50 0.00 0.00 33.47 31.99 1ujd s TRP 77 CO 0.08 -0.28 0.34 0.09 -4.62 0.00 0.00 176.95 172.56 1ujd n ASN 78 N 4.90 -4.85 0.00 5.86 4.13 0.52 -1.07 115.26 124.74 1ujd n ASN 78 Ca -0.14 -0.16 0.00 0.00 1.68 0.00 0.00 54.58 55.97 1ujd n ASN 78 Cb 0.51 -4.00 0.00 0.00 -1.54 0.00 0.00 39.78 34.75 1ujd n ASN 78 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ujd n GLY 79 N -1.17 1.75 3.68 7.41 0.00 -1.26 -4.96 105.19 110.63 1ujd n GLY 79 Ca -0.11 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.22 3.48 0.33 -0.61 1.09 -0.23 -4.96 121.20 120.07 1ujd s ILE 80 Ca 0.00 0.79 -0.27 0.00 -1.10 0.00 0.00 60.65 60.07 1ujd s ILE 80 Cb 0.00 -3.51 -0.09 0.00 -1.06 0.00 0.00 42.46 37.80 1ujd s ILE 80 CO 0.00 -0.03 1.07 -2.16 -0.10 0.00 0.00 174.94 173.72 1ujd s PRO 81 N 3.03 4.45 -0.10 2.79 0.04 -1.26 -0.82 135.00 143.13 1ujd s PRO 81 Ca 0.70 1.67 0.15 0.00 0.04 0.00 0.00 61.00 63.55 1ujd s PRO 81 Cb -0.34 -2.92 0.22 0.00 0.04 0.00 0.00 34.50 31.50 1ujd s PRO 81 CO 0.29 0.08 1.11 1.47 0.04 0.00 0.00 177.00 179.99 1ujd n LEU 82 N 0.68 1.86 -4.82 -3.56 -0.00 -1.23 -4.91 117.00 105.03 1ujd n LEU 82 Ca 0.01 -2.63 -0.37 0.00 -0.00 0.00 0.00 56.01 53.02 1ujd n LEU 82 Cb 0.47 -0.33 -0.06 0.00 -0.00 0.00 0.00 43.42 43.50 1ujd n LEU 82 CO 0.50 0.61 0.34 -0.89 -0.00 0.00 0.00 177.39 177.95 1ujd s THR 83 N -2.25 4.67 -1.50 1.47 2.01 -1.25 -3.59 115.64 115.20 1ujd s THR 83 Ca 0.25 1.19 -0.00 0.00 0.31 0.00 0.00 61.69 63.44 1ujd s THR 83 Cb 0.22 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1ujd s THR 83 CO 0.02 0.35 0.01 -0.24 -0.69 0.00 0.00 174.62 174.08 1ujd n SER 84 N 1.13 -5.16 -0.14 3.53 2.88 0.95 -4.94 113.62 111.87 1ujd n SER 84 Ca -0.06 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1ujd n SER 84 Cb 0.51 -4.23 0.00 0.00 -0.75 0.00 0.00 64.21 59.74 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 -2.71 3.51 -4.32 -1.46 4.76 -1.25 -4.99 118.16 111.70 1ujd n LYS 85 Ca -0.21 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 54.98 1ujd n LYS 85 Cb 0.66 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.72 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 1.24 1.88 0.23 -0.18 -4.23 -1.26 -3.14 115.64 110.17 1ujd s THR 86 Ca 0.00 -1.66 -0.17 0.00 -1.18 0.00 0.00 61.69 58.68 1ujd s THR 86 Cb 0.00 -1.72 0.24 0.00 1.34 0.00 0.00 72.50 72.37 1ujd s THR 86 CO 0.00 -0.06 1.51 0.00 -0.54 0.00 0.00 174.62 175.53 1ujd n TYR 87 N 0.91 0.04 0.20 3.99 4.19 -1.26 -0.10 117.16 125.14 1ujd n TYR 87 Ca -0.18 1.20 -0.10 0.00 3.31 0.00 0.00 57.90 62.13 1ujd n TYR 87 Cb 0.54 -0.87 -0.05 0.00 0.49 0.00 0.00 39.34 39.45 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 -0.57 -0.23 2.98 5.08 -1.96 -0.68 114.58 119.20 1ujd h GLU 88 Ca 0.34 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.76 1ujd h GLU 88 Cb 0.59 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 1ujd h GLU 88 CO -0.97 -0.38 -0.17 0.93 -1.00 0.00 0.00 179.01 177.42 1ujd h GLU 89 N -0.59 -0.04 -1.00 2.33 5.08 -1.59 0.29 114.58 119.06 1ujd h GLU 89 Ca -0.05 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1ujd h GLU 89 Cb 0.49 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.62 1ujd h GLU 89 CO 0.03 -0.02 -0.55 0.28 -1.00 0.00 0.00 179.01 177.74 1ujd n VAL 90 N -3.60 -0.65 -0.11 3.13 0.31 0.86 -0.36 118.33 117.92 1ujd n VAL 90 Ca 0.00 2.40 -0.13 0.00 -0.01 0.00 0.00 64.34 66.60 1ujd n VAL 90 Cb 0.08 -2.99 -0.08 0.00 -0.91 0.00 0.00 33.84 29.93 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 -0.40 -0.95 5.55 -0.00 0.52 0.27 115.11 120.10 1ujd h GLN 91 Ca 0.19 0.03 0.30 0.00 -0.00 0.00 0.00 58.65 59.16 1ujd h GLN 91 Cb 0.44 0.09 -0.16 0.00 0.00 0.00 0.00 27.48 27.85 1ujd h GLN 91 CO -0.94 -0.27 0.34 1.03 0.00 0.00 0.00 178.83 178.98 1ujd h SER 92 N -0.42 0.10 -0.69 -0.69 0.87 0.24 2.57 113.55 115.55 1ujd h SER 92 Ca 0.08 0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.81 1ujd h SER 92 Cb 0.61 0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.82 1ujd h SER 92 CO -0.56 -0.24 0.21 0.40 -0.53 0.00 0.00 176.83 176.11 1ujd h ILE 93 N 0.17 1.26 0.02 2.23 2.04 0.11 -3.31 117.51 120.02 1ujd h ILE 93 Ca 0.66 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1ujd h ILE 93 Cb 1.48 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1ujd h ILE 93 CO -0.71 0.35 -0.01 0.40 0.00 0.00 0.00 178.15 178.18 1ujd h ILE 94 N 1.01 0.00 -6.92 -0.67 2.04 0.43 -3.46 117.51 109.93 1ujd h ILE 94 Ca 0.22 -0.15 -0.55 0.00 1.00 0.00 0.00 64.86 65.38 1ujd h ILE 94 Cb 0.31 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 1ujd h ILE 94 CO -0.01 0.00 -0.99 -0.24 0.00 0.00 0.00 178.15 176.92 1ujd n SER 95 N -2.48 -4.02 -3.57 1.72 2.88 0.74 -0.91 113.62 107.99 1ujd n SER 95 Ca -0.00 -1.16 -0.17 0.00 -1.33 0.00 0.00 58.87 56.21 1ujd n SER 95 Cb 0.01 -1.49 0.01 0.00 -0.75 0.00 0.00 64.21 61.98 1ujd n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ujd n GLN 96 N -4.26 -0.68 -1.53 -1.46 10.64 -1.26 -4.46 117.38 114.37 1ujd n GLN 96 Ca -0.16 -0.05 -0.64 0.00 -1.83 0.00 0.00 57.00 54.32 1ujd n GLN 96 Cb 0.56 -0.66 -0.11 0.00 -0.86 0.00 0.00 30.24 29.18 1ujd n GLN 96 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1ujd n GLN 97 N -2.21 0.05 -1.63 2.61 1.13 -0.08 -4.78 117.38 112.47 1ujd n GLN 97 Ca -0.08 0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.58 1ujd n GLN 97 Cb 0.26 -1.53 0.01 0.00 0.11 0.00 0.00 30.24 29.09 1ujd n GLN 97 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ujd n SER 98 N 5.63 1.51 -0.20 1.08 2.88 -1.26 -4.65 113.62 118.61 1ujd n SER 98 Ca 0.41 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 59.02 1ujd n SER 98 Cb -0.04 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.04 1ujd n SER 98 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujd n GLY 99 N 1.12 0.38 3.61 0.46 0.00 -1.26 -4.74 105.19 104.76 1ujd n GLY 99 Ca 0.09 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.83 1ujd n GLY 99 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ujd n GLU 100 N -0.39 0.95 -3.64 1.61 2.13 -1.26 -4.95 120.64 115.09 1ujd n GLU 100 Ca 0.00 0.37 -0.12 0.00 0.66 0.00 0.00 57.16 58.07 1ujd n GLU 100 Cb 0.00 -2.15 -0.12 0.00 0.27 0.00 0.00 31.44 29.44 1ujd n GLU 100 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ujd s ALA 101 N -1.49 -0.75 0.17 4.31 0.00 -1.13 -4.97 121.76 117.89 1ujd s ALA 101 Ca 0.74 1.07 -0.30 0.00 0.00 0.00 0.00 51.96 53.47 1ujd s ALA 101 Cb -0.43 -1.16 -0.07 0.00 0.00 0.00 0.00 23.12 21.46 1ujd s ALA 101 CO 0.48 -0.73 1.07 -1.21 0.00 0.00 0.00 175.76 175.37 1ujd s GLU 102 N 2.48 4.62 -0.04 0.00 2.02 -1.26 -2.42 118.70 124.10 1ujd s GLU 102 Ca 0.01 1.67 0.06 0.00 0.02 0.00 0.00 54.97 56.74 1ujd s GLU 102 Cb -0.12 -3.29 -0.01 0.00 0.10 0.00 0.00 34.13 30.80 1ujd s GLU 102 CO -0.10 0.11 -0.23 -1.50 0.02 0.00 0.00 175.26 173.56 1ujd s ILE 103 N -0.26 1.87 -0.32 -1.63 2.07 -0.88 0.19 121.20 122.26 1ujd s ILE 103 Ca 0.49 -0.99 0.00 0.00 -1.41 0.00 0.00 60.65 58.74 1ujd s ILE 103 Cb -0.28 -1.57 0.07 0.00 0.13 0.00 0.00 42.46 40.80 1ujd s ILE 103 CO 0.34 0.53 0.02 0.00 -1.91 0.00 0.00 174.94 173.92 1ujd s VAL 105 N 1.14 2.07 0.08 0.00 0.11 -1.22 -0.24 120.40 122.34 1ujd s VAL 105 Ca -0.01 -2.23 -0.03 0.00 -2.93 0.00 0.00 61.98 56.78 1ujd s VAL 105 Cb -0.20 -2.45 -0.05 0.00 -1.53 0.00 0.00 36.38 32.16 1ujd s VAL 105 CO -0.04 -0.32 0.28 -0.60 -3.33 0.00 0.00 175.10 171.09 1ujd s ARG 106 N -3.62 3.52 -0.00 1.54 3.52 -0.21 -1.02 118.95 122.67 1ujd s ARG 106 Ca 0.30 -0.26 -0.00 0.00 -0.13 0.00 0.00 55.73 55.64 1ujd s ARG 106 Cb 0.01 -2.98 -0.00 0.00 -1.56 0.00 0.00 34.95 30.42 1ujd s ARG 106 CO 0.14 0.56 0.08 -0.07 -0.81 0.00 0.00 175.30 175.20 1ujd h LEU 107 N 3.13 -0.00 0.00 -0.88 3.38 -0.70 -3.41 115.31 116.82 1ujd h LEU 107 Ca -0.46 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.25 1ujd h LEU 107 Cb 1.17 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.06 1ujd h LEU 107 CO 0.73 0.00 0.01 -0.67 0.09 0.00 0.00 178.44 178.61 1ujd n ASP 108 N -2.03 -2.37 0.00 -0.43 2.03 -1.23 -4.16 116.55 108.36 1ujd n ASP 108 Ca -0.00 -0.83 0.00 0.00 0.52 0.00 0.00 54.79 54.48 1ujd n ASP 108 Cb 0.00 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 1ujd n ASP 108 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1ujd n LEU 109 N 0.00 0.00 -3.08 -2.67 0.00 -1.26 -4.84 117.00 105.15 1ujd n LEU 109 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 56.01 56.11 1ujd n LEU 109 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 43.42 43.82 1ujd n LEU 109 CO 0.27 0.00 -0.44 -3.20 0.00 0.00 0.00 177.39 174.03 1ujd n ASN 110 N 3.22 -6.75 -0.28 1.96 2.85 -1.26 -4.65 115.26 110.36 1ujd n ASN 110 Ca 0.00 0.67 0.26 0.00 -0.11 0.00 0.00 54.58 55.40 1ujd n ASN 110 Cb 0.00 -2.28 0.47 0.00 1.24 0.00 0.00 39.78 39.22 1ujd n ASN 110 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 1ujd n MET 111 N 1.38 -0.05 -2.82 1.20 2.81 -0.97 -4.84 117.12 113.83 1ujd n MET 111 Ca -0.01 1.21 -0.03 0.00 -1.81 0.00 0.00 57.70 57.06 1ujd n MET 111 Cb 0.36 -2.14 -0.03 0.00 -0.71 0.00 0.00 33.22 30.71 1ujd n MET 111 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1ujd n SER 112 N -5.00 -3.75 -1.58 7.83 2.88 -0.89 -5.01 113.62 108.11 1ujd n SER 112 Ca 0.31 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 59.02 1ujd n SER 112 Cb 1.05 -3.61 0.00 0.00 -0.75 0.00 0.00 64.21 60.90 1ujd n SER 112 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujd n GLY 113 N 2.05 3.98 3.77 0.46 0.00 -1.26 -5.00 105.19 109.18 1ujd n GLY 113 Ca -0.23 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.34 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 -1.23 -0.16 0.39 1.61 0.04 -1.26 -4.89 135.00 129.51 1ujd s PRO 114 Ca 0.00 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.84 1ujd s PRO 114 Cb 0.00 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1ujd s PRO 114 CO 0.00 -2.98 0.00 0.45 0.04 0.00 0.00 177.00 174.51 1ujd n SER 115 N -4.22 -3.05 -4.18 6.66 2.88 -1.26 -4.93 113.62 105.53 1ujd n SER 115 Ca 0.14 0.74 -0.11 0.00 -1.33 0.00 0.00 58.87 58.31 1ujd n SER 115 Cb 0.59 2.91 -0.10 0.00 -0.75 0.00 0.00 64.21 66.87 1ujd n SER 115 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1ujd s SER 116 N -2.68 0.20 0.00 -3.46 0.01 -1.26 -5.20 113.70 101.31 1ujd s SER 116 Ca 0.00 -1.32 0.00 0.00 1.31 0.00 0.00 55.95 55.94 1ujd s SER 116 Cb 0.00 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1ujd s SER 116 CO 0.00 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.45