#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujd s SER 2 N 0.00 -0.19 0.61 1.61 0.15 -1.26 -5.15 113.70 109.47 1ujd s SER 2 Ca 0.00 0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1ujd s SER 2 Cb 0.00 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1ujd s SER 2 CO 0.00 -0.09 0.00 -1.20 1.20 0.00 0.00 173.24 173.15 1ujd n SER 3 N 1.45 -8.05 0.00 5.45 7.64 -1.26 -4.97 113.62 113.88 1ujd n SER 3 Ca -0.09 1.63 0.00 0.00 1.01 0.00 0.00 58.87 61.42 1ujd n SER 3 Cb 0.57 -5.06 0.00 0.00 -1.01 0.00 0.00 64.21 58.71 1ujd n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 4 N -3.66 0.86 3.41 0.23 0.00 -1.26 -5.09 105.19 99.68 1ujd n GLY 4 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 1ujd n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujd s SER 5 N -1.00 2.93 0.47 1.61 0.15 -1.26 -5.15 113.70 111.44 1ujd s SER 5 Ca 0.00 -1.09 0.03 0.00 0.70 0.00 0.00 55.95 55.59 1ujd s SER 5 Cb 0.00 -0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.13 1ujd s SER 5 CO 0.00 -0.18 0.67 -0.44 1.20 0.00 0.00 173.24 174.49 1ujd s SER 6 N -3.42 5.62 0.00 5.45 0.01 -1.26 -5.03 113.70 115.08 1ujd s SER 6 Ca 0.27 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1ujd s SER 6 Cb -0.00 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 65.10 1ujd s SER 6 CO 0.11 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.53 1ujd n GLY 7 N -2.09 1.93 0.79 3.44 0.00 -1.26 -5.14 105.19 102.87 1ujd n GLY 7 Ca 0.04 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.06 1ujd n GLY 7 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1ujd n HIS 8 N 1.14 -2.19 -2.28 1.61 -0.00 -1.26 -4.94 115.22 107.31 1ujd n HIS 8 Ca 0.00 1.17 -0.33 0.00 0.46 0.00 0.00 57.72 59.02 1ujd n HIS 8 Cb 0.00 -2.22 -0.02 0.00 -0.12 0.00 0.00 29.99 27.63 1ujd n HIS 8 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 1ujd s TYR 9 N -3.06 3.17 -0.30 1.57 2.02 -1.26 -4.92 117.35 114.56 1ujd s TYR 9 Ca 0.00 1.51 0.25 0.00 -0.37 0.00 0.00 57.07 58.46 1ujd s TYR 9 Cb 0.00 -2.93 1.13 0.00 -0.40 0.00 0.00 41.96 39.76 1ujd s TYR 9 CO 0.00 -0.76 1.76 -0.84 -1.57 0.00 0.00 175.55 174.14 1ujd h ILE 10 N 0.83 0.00 -2.05 2.71 -0.00 -2.06 -3.43 117.51 113.52 1ujd h ILE 10 Ca -0.47 -0.22 -0.52 0.00 -0.00 0.00 0.00 64.86 63.65 1ujd h ILE 10 Cb 1.21 0.94 -0.06 0.00 -0.00 0.00 0.00 36.82 38.91 1ujd h ILE 10 CO 0.59 0.00 -0.53 0.72 -0.00 0.00 0.00 178.15 178.93 1ujd s PHE 11 N -3.44 2.89 -0.15 0.16 -0.71 -1.26 -5.08 117.98 110.39 1ujd s PHE 11 Ca 0.02 -0.24 -0.29 0.00 -1.04 0.00 0.00 56.93 55.38 1ujd s PHE 11 Cb 0.09 -1.50 -0.02 0.00 -1.21 0.00 0.00 43.02 40.38 1ujd s PHE 11 CO 0.38 0.42 1.26 -1.25 -1.34 0.00 0.00 175.22 174.69 1ujd s PRO 12 N -3.85 4.25 0.27 1.99 0.04 -1.26 -5.00 135.00 131.44 1ujd s PRO 12 Ca 0.35 1.68 0.02 0.00 0.04 0.00 0.00 61.00 63.09 1ujd s PRO 12 Cb -0.06 -3.74 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 1ujd s PRO 12 CO 0.24 -0.67 0.15 -3.38 0.04 0.00 0.00 177.00 173.38 1ujd s HIS 13 N 3.32 1.47 -0.11 0.56 -3.43 -1.26 -0.34 115.29 115.50 1ujd s HIS 13 Ca 0.55 -1.38 -0.07 0.00 -0.80 0.00 0.00 55.06 53.37 1ujd s HIS 13 Cb -0.22 -0.75 0.04 0.00 -1.43 0.00 0.00 32.58 30.22 1ujd s HIS 13 CO 0.16 -0.57 0.27 0.00 -2.00 0.00 0.00 174.74 172.59 1ujd s ALA 14 N -3.79 -0.64 -0.64 -1.38 0.00 -1.26 -4.88 121.76 109.18 1ujd s ALA 14 Ca 0.38 0.98 -0.10 0.00 0.00 0.00 0.00 51.96 53.22 1ujd s ALA 14 Cb 0.06 -0.60 0.17 0.00 0.00 0.00 0.00 23.12 22.74 1ujd s ALA 14 CO 0.16 -0.18 0.53 1.03 0.00 0.00 0.00 175.76 177.30 1ujd s ARG 15 N 0.94 2.93 -0.20 0.00 0.52 -1.26 -3.46 118.95 118.42 1ujd s ARG 15 Ca -0.07 -2.22 -0.05 0.00 -0.52 0.00 0.00 55.73 52.88 1ujd s ARG 15 Cb -0.08 -4.08 -0.02 0.00 0.52 0.00 0.00 34.95 31.29 1ujd s ARG 15 CO -0.06 -1.23 -0.01 0.42 0.02 0.00 0.00 175.30 174.43 1ujd s ILE 16 N 0.57 3.82 -0.18 1.52 1.09 -1.22 -5.00 121.20 121.81 1ujd s ILE 16 Ca 0.13 -0.36 -0.21 0.00 -1.10 0.00 0.00 60.65 59.11 1ujd s ILE 16 Cb -0.19 -2.72 -0.03 0.00 -1.06 0.00 0.00 42.46 38.46 1ujd s ILE 16 CO -0.04 0.43 0.61 -1.59 -0.10 0.00 0.00 174.94 174.25 1ujd s LYS 17 N 1.01 4.24 -0.21 2.79 0.00 -1.26 -2.80 119.74 123.52 1ujd s LYS 17 Ca 0.01 0.60 -0.26 0.00 0.00 0.00 0.00 55.97 56.33 1ujd s LYS 17 Cb -0.14 -3.55 -0.01 0.00 0.00 0.00 0.00 37.83 34.13 1ujd s LYS 17 CO 0.01 -0.17 0.88 0.42 0.00 0.00 0.00 175.35 176.50 1ujd s ILE 18 N 1.66 4.82 -0.17 3.79 1.01 0.29 -4.90 121.20 127.70 1ujd s ILE 18 Ca 0.29 1.71 -0.03 0.00 0.00 0.00 0.00 60.65 62.62 1ujd s ILE 18 Cb -0.16 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.12 1ujd s ILE 18 CO 0.11 -0.05 -0.05 0.42 0.00 0.00 0.00 174.94 175.36 1ujd s THR 19 N 2.61 3.62 -0.74 2.92 -4.23 -1.26 -0.47 115.64 118.08 1ujd s THR 19 Ca 0.39 -0.44 -0.26 0.00 -1.18 0.00 0.00 61.69 60.20 1ujd s THR 19 Cb -0.16 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 1ujd s THR 19 CO 0.09 0.47 1.89 -0.60 -0.54 0.00 0.00 174.62 175.94 1ujd s ARG 20 N 0.70 2.60 -0.01 3.99 3.52 -1.26 -4.74 118.95 123.75 1ujd s ARG 20 Ca -0.03 0.20 -0.29 0.00 -0.13 0.00 0.00 55.73 55.48 1ujd s ARG 20 Cb -0.15 -4.69 0.10 0.00 -1.56 0.00 0.00 34.95 28.66 1ujd s ARG 20 CO 0.02 -3.01 0.92 -0.51 -0.81 0.00 0.00 175.30 171.91 1ujd s ASP 21 N 8.03 -0.33 -0.14 -2.12 1.01 -1.26 -4.95 116.67 116.91 1ujd s ASP 21 Ca 0.68 -0.03 -0.32 0.00 0.71 0.00 0.00 52.55 53.60 1ujd s ASP 21 Cb -0.10 0.37 0.13 0.00 1.01 0.00 0.00 42.92 44.33 1ujd s ASP 21 CO 0.11 -0.60 1.08 -0.44 0.21 0.00 0.00 175.17 175.53 1ujd s SER 22 N -2.49 -0.25 0.09 0.27 0.01 -1.26 -4.76 113.70 105.31 1ujd s SER 22 Ca 0.06 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1ujd s SER 22 Cb -0.01 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.46 1ujd s SER 22 CO -0.08 -0.34 0.00 1.17 0.41 0.00 0.00 173.24 174.40 1ujd n LYS 23 N 0.14 0.00 -1.85 12.44 3.00 -1.26 -4.95 118.16 125.68 1ujd n LYS 23 Ca -0.05 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.85 1ujd n LYS 23 Cb 0.59 -0.02 -0.03 0.00 0.00 0.00 0.00 35.03 35.57 1ujd n LYS 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1ujd s ASP 24 N -5.01 5.53 -0.14 3.14 2.15 -1.26 -3.96 116.67 117.12 1ujd s ASP 24 Ca 0.00 1.32 -0.04 0.00 0.43 0.00 0.00 52.55 54.26 1ujd s ASP 24 Cb 0.00 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 1ujd s ASP 24 CO 0.00 -1.99 0.08 1.57 -0.17 0.00 0.00 175.17 174.66 1ujd n HIS 25 N 11.61 -2.49 -1.63 -5.34 -0.00 -1.26 -4.67 115.22 111.44 1ujd n HIS 25 Ca 0.26 1.30 -0.54 0.00 0.46 0.00 0.00 57.72 59.20 1ujd n HIS 25 Cb 0.48 -2.73 -0.07 0.00 -0.12 0.00 0.00 29.99 27.56 1ujd n HIS 25 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 1ujd n THR 26 N 1.54 0.35 -0.33 3.57 -1.04 -1.25 -4.77 114.28 112.35 1ujd n THR 26 Ca -0.13 -0.12 0.26 0.00 -2.04 0.00 0.00 64.05 62.02 1ujd n THR 26 Cb 0.31 -1.48 0.48 0.00 -1.82 0.00 0.00 70.33 67.82 1ujd n THR 26 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1ujd h VAL 27 N 5.79 0.06 -3.43 12.58 3.04 -1.92 -3.46 116.25 128.90 1ujd h VAL 27 Ca -0.42 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 1ujd h VAL 27 Cb 1.31 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 1ujd h VAL 27 CO 0.98 0.01 -0.53 -0.24 -1.01 0.00 0.00 177.57 176.78 1ujd n SER 28 N -5.29 -5.21 -3.10 3.17 2.88 -1.26 -4.80 113.62 100.00 1ujd n SER 28 Ca 0.33 0.90 -0.00 0.00 -1.33 0.00 0.00 58.87 58.76 1ujd n SER 28 Cb 1.09 -3.11 -0.00 0.00 -0.75 0.00 0.00 64.21 61.44 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 0.90 -0.49 0.00 0.46 0.00 -1.26 -5.01 105.19 99.79 1ujd n GLY 29 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 1.66 0.00 -2.17 1.61 2.85 -1.26 -5.16 115.26 112.79 1ujd n ASN 30 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1ujd n ASN 30 Cb 0.32 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.34 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 -0.06 0.36 8.20 0.00 -1.26 -4.77 105.19 107.66 1ujd n GLY 31 Ca 0.00 -1.33 0.18 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.43 0.99 4.07 -1.97 -3.40 115.31 111.57 1ujd h LEU 32 Ca 0.00 0.00 -0.43 0.00 0.08 0.00 0.00 57.88 57.53 1ujd h LEU 32 Cb 0.00 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.76 1ujd h LEU 32 CO 0.00 0.00 -0.88 0.61 -1.08 0.00 0.00 178.44 177.09 1ujd n GLY 33 N -1.38 -1.11 3.05 0.83 0.00 -1.26 -3.29 105.19 102.02 1ujd n GLY 33 Ca 0.03 0.49 -0.23 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.24 1.02 -0.31 -0.61 2.07 -1.26 -3.18 121.20 115.68 1ujd s ILE 34 Ca 0.25 -0.49 -0.02 0.00 -1.41 0.00 0.00 60.65 58.98 1ujd s ILE 34 Cb -0.11 -0.90 0.06 0.00 0.13 0.00 0.00 42.46 41.64 1ujd s ILE 34 CO 0.88 0.31 0.03 -0.13 -1.91 0.00 0.00 174.94 174.12 1ujd s ARG 35 N 0.18 2.39 -0.23 3.50 1.81 -0.19 -4.99 118.95 121.41 1ujd s ARG 35 Ca -0.04 -1.32 -0.03 0.00 -1.72 0.00 0.00 55.73 52.62 1ujd s ARG 35 Cb -0.10 -3.24 0.00 0.00 -0.45 0.00 0.00 34.95 31.17 1ujd s ARG 35 CO 0.01 -0.67 -0.05 0.42 -0.68 0.00 0.00 175.30 174.34 1ujd s ILE 36 N 1.25 3.23 -0.31 1.52 1.01 -1.26 0.18 121.20 126.81 1ujd s ILE 36 Ca -0.04 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 59.76 1ujd s ILE 36 Cb -0.20 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 1ujd s ILE 36 CO -0.01 0.35 0.58 -0.69 0.00 0.00 0.00 174.94 175.17 1ujd s VAL 37 N 1.44 4.97 0.60 2.92 1.01 -0.49 -4.78 120.40 126.07 1ujd s VAL 37 Ca 0.04 0.70 0.01 0.00 0.00 0.00 0.00 61.98 62.73 1ujd s VAL 37 Cb -0.15 -3.97 0.12 0.00 0.00 0.00 0.00 36.38 32.38 1ujd s VAL 37 CO -0.04 -0.14 0.82 0.61 0.00 0.00 0.00 175.10 176.35 1ujd n GLY 38 N 4.54 0.80 3.90 4.51 0.00 -1.26 -1.95 105.19 115.74 1ujd n GLY 38 Ca -0.02 -2.04 -0.25 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.38 -0.26 3.32 -0.02 0.00 0.20 -3.68 105.19 103.35 1ujd n GLY 39 Ca 0.14 0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.99 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 -6.43 2.35 0.31 1.61 2.47 -0.77 -4.83 119.74 114.45 1ujd s LYS 40 Ca 0.08 -0.89 -0.29 0.00 -1.56 0.00 0.00 55.97 53.31 1ujd s LYS 40 Cb -0.04 -2.14 -0.10 0.00 -1.46 0.00 0.00 37.83 34.09 1ujd s LYS 40 CO 0.87 0.49 1.38 -2.00 0.16 0.00 0.00 175.35 176.25 1ujd s GLU 41 N -0.44 4.29 -0.20 4.03 2.56 -1.26 -1.02 118.70 126.66 1ujd s GLU 41 Ca 0.05 2.29 -0.05 0.00 0.00 0.00 0.00 54.97 57.26 1ujd s GLU 41 Cb -0.12 -3.07 -0.02 0.00 2.00 0.00 0.00 34.13 32.92 1ujd s GLU 41 CO 0.01 -0.32 -0.00 0.42 -0.56 0.00 0.00 175.26 174.81 1ujd s ILE 42 N -0.74 3.91 -1.22 -3.70 1.01 -0.45 -4.92 121.20 115.10 1ujd s ILE 42 Ca 0.53 -0.33 -0.20 0.00 0.00 0.00 0.00 60.65 60.66 1ujd s ILE 42 Cb -0.41 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 1ujd s ILE 42 CO 0.51 0.43 1.88 -0.81 0.00 0.00 0.00 174.94 176.95 1ujd n PRO 43 N 4.31 2.36 0.00 2.79 -0.04 -1.26 -3.77 135.00 139.38 1ujd n PRO 43 Ca -0.17 -2.75 0.00 0.00 -0.04 0.00 0.00 63.50 60.54 1ujd n PRO 43 Cb 0.52 -3.51 0.00 0.00 -0.04 0.00 0.00 33.50 30.46 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 5.34 0.38 1.84 0.55 0.00 -1.26 -4.91 105.19 107.13 1ujd n GLY 44 Ca 0.48 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.02 -3.84 1.61 -0.00 -1.25 -5.00 115.22 106.73 1ujd n HIS 45 Ca 0.00 -0.16 -0.36 0.00 -0.00 0.00 0.00 57.72 57.20 1ujd n HIS 45 Cb 0.00 0.72 0.03 0.00 -0.00 0.00 0.00 29.99 30.73 1ujd n HIS 45 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1ujd n SER 46 N -0.15 -4.88 -3.74 0.41 7.64 -1.26 -2.18 113.62 109.46 1ujd n SER 46 Ca -0.09 -1.09 -0.25 0.00 1.01 0.00 0.00 58.87 58.44 1ujd n SER 46 Cb 0.53 -2.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.25 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 -1.86 -1.14 3.45 0.23 0.00 -1.26 -4.94 105.19 99.67 1ujd n GLY 47 Ca -0.13 0.52 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 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 -5.05 2.10 -0.10 1.61 2.56 -0.93 -4.98 118.70 113.91 1ujd s GLU 48 Ca 0.06 -0.96 -0.08 0.00 0.00 0.00 0.00 54.97 54.00 1ujd s GLU 48 Cb -0.03 -2.19 -0.04 0.00 2.00 0.00 0.00 34.13 33.86 1ujd s GLU 48 CO 0.82 0.55 0.18 0.96 -0.56 0.00 0.00 175.26 177.21 1ujd s ILE 49 N -0.89 5.45 0.00 -3.70 -4.36 -1.26 -1.34 121.20 115.10 1ujd s ILE 49 Ca 0.14 0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.80 1ujd s ILE 49 Cb -0.10 -3.44 0.00 0.00 1.25 0.00 0.00 42.46 40.16 1ujd s ILE 49 CO 0.04 0.60 0.00 0.61 0.24 0.00 0.00 174.94 176.43 1ujd n GLY 50 N 1.90 4.67 3.19 6.27 0.00 -0.19 0.40 105.19 121.44 1ujd n GLY 50 Ca -0.19 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.55 1.07 -0.22 4.61 0.00 -1.15 0.59 121.76 125.10 1ujd s ALA 51 Ca 0.00 -1.46 -0.27 0.00 0.00 0.00 0.00 51.96 50.22 1ujd s ALA 51 Cb 0.00 0.47 0.11 0.00 0.00 0.00 0.00 23.12 23.71 1ujd s ALA 51 CO 0.00 -0.33 0.96 1.52 0.00 0.00 0.00 175.76 177.91 1ujd s TYR 52 N -3.75 -0.48 0.11 0.00 1.13 -0.82 0.67 117.35 114.21 1ujd s TYR 52 Ca 0.19 1.05 -0.34 0.00 -1.41 0.00 0.00 57.07 56.57 1ujd s TYR 52 Cb 0.06 0.39 -0.13 0.00 -1.10 0.00 0.00 41.96 41.18 1ujd s TYR 52 CO -0.00 -0.31 1.67 -0.89 -2.51 0.00 0.00 175.55 173.50 1ujd n ILE 53 N 1.67 0.14 -0.07 -3.49 5.41 0.31 -1.40 119.36 121.92 1ujd n ILE 53 Ca -0.12 -0.03 -0.16 0.00 1.00 0.00 0.00 62.75 63.44 1ujd n ILE 53 Cb 0.57 -1.68 -0.05 0.00 -0.71 0.00 0.00 39.64 37.77 1ujd n ILE 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ujd n ALA 54 N 4.24 1.95 -2.47 -1.39 0.00 0.47 -1.23 120.51 122.08 1ujd n ALA 54 Ca 0.18 -0.62 -0.26 0.00 0.00 0.00 0.00 53.44 52.75 1ujd n ALA 54 Cb 0.30 0.27 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 1ujd n ALA 54 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ujd s LYS 55 N -2.32 1.47 -0.50 0.00 -0.14 -0.94 -4.78 119.74 112.54 1ujd s LYS 55 Ca -0.22 -0.75 0.04 0.00 -1.36 0.00 0.00 55.97 53.68 1ujd s LYS 55 Cb 0.08 -1.47 0.17 0.00 -1.68 0.00 0.00 37.83 34.93 1ujd s LYS 55 CO 0.28 0.39 0.38 0.42 -0.76 0.00 0.00 175.35 176.06 1ujd s ILE 56 N -0.56 1.13 0.77 2.17 1.01 -1.26 -1.03 121.20 123.43 1ujd s ILE 56 Ca 0.07 -3.09 -0.16 0.00 0.00 0.00 0.00 60.65 57.47 1ujd s ILE 56 Cb -0.08 -1.77 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 1ujd s ILE 56 CO 0.00 -1.14 0.50 0.18 0.00 0.00 0.00 174.94 174.47 1ujd n LEU 57 N 2.66 0.59 -4.78 2.97 4.32 -1.19 -4.91 117.00 116.66 1ujd n LEU 57 Ca 0.25 0.54 -0.37 0.00 -0.02 0.00 0.00 56.01 56.41 1ujd n LEU 57 Cb 0.43 -1.21 -0.04 0.00 -1.62 0.00 0.00 43.42 40.98 1ujd n LEU 57 CO 0.15 -3.23 0.74 -2.16 -1.22 0.00 0.00 177.39 171.67 1ujd s PRO 58 N -2.91 4.22 0.00 3.23 0.04 -1.26 -3.35 135.00 134.96 1ujd s PRO 58 Ca 0.64 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1ujd s PRO 58 Cb -0.32 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1ujd s PRO 58 CO 0.60 -0.10 0.00 0.41 0.04 0.00 0.00 177.00 177.95 1ujd n GLY 59 N 0.45 2.33 2.96 0.56 0.00 -1.26 -4.98 105.19 105.25 1ujd n GLY 59 Ca 0.04 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 -2.10 0.32 -0.02 0.00 -1.21 -4.39 105.19 97.79 1ujd n GLY 60 Ca 0.00 0.11 0.17 0.00 0.00 0.00 0.00 46.02 46.30 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 0.51 0.00 0.29 1.61 0.02 -1.77 0.42 113.55 114.64 1ujd h SER 61 Ca -0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 1ujd h SER 61 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1ujd h SER 61 CO 0.45 0.00 -0.14 0.00 -1.14 0.00 0.00 176.83 176.00 1ujd h ALA 62 N 1.84 -0.39 -0.00 3.77 0.00 -1.86 -3.11 119.26 119.51 1ujd h ALA 62 Ca 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1ujd h ALA 62 Cb 0.32 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1ujd h ALA 62 CO -0.00 -0.46 -0.27 1.49 0.00 0.00 0.00 179.25 180.00 1ujd h GLU 63 N -0.90 0.01 -0.08 0.00 4.81 -1.60 -3.08 114.58 113.74 1ujd h GLU 63 Ca -0.04 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1ujd h GLU 63 Cb 0.51 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1ujd h GLU 63 CO 0.06 0.28 -0.49 1.96 -0.73 0.00 0.00 179.01 180.10 1ujd h GLN 64 N 0.01 -0.56 -0.99 1.92 4.20 -0.17 0.20 115.11 119.71 1ujd h GLN 64 Ca -0.00 0.04 0.25 0.00 0.06 0.00 0.00 58.65 59.00 1ujd h GLN 64 Cb 0.49 0.13 -0.13 0.00 0.30 0.00 0.00 27.48 28.27 1ujd h GLN 64 CO 0.04 -0.38 0.56 1.79 -0.67 0.00 0.00 178.83 180.17 1ujd h THR 65 N -0.59 0.49 -0.52 -0.54 1.35 -1.47 -3.45 112.91 108.19 1ujd h THR 65 Ca 0.04 -0.18 -0.06 0.00 -0.55 0.00 0.00 66.41 65.66 1ujd h THR 65 Cb 0.68 -0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.02 1ujd h THR 65 CO -0.39 0.09 -0.08 0.61 -0.25 0.00 0.00 175.52 175.51 1ujd n GLY 66 N -1.31 0.27 0.18 5.82 0.00 0.06 -4.92 105.19 105.28 1ujd n GLY 66 Ca 0.27 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 1ujd n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ujd n LYS 67 N -1.29 0.08 -1.45 1.61 4.76 -1.26 -5.04 118.16 115.57 1ujd n LYS 67 Ca -0.03 0.02 -0.32 0.00 -2.87 0.00 0.00 58.31 55.10 1ujd n LYS 67 Cb 0.53 -0.98 0.08 0.00 -1.84 0.00 0.00 35.03 32.81 1ujd n LYS 67 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ujd s LEU 68 N -5.36 3.20 -0.20 -0.35 2.01 -1.26 -5.06 118.68 111.66 1ujd s LEU 68 Ca -0.04 1.99 -0.27 0.00 0.01 0.00 0.00 54.13 55.81 1ujd s LEU 68 Cb 0.01 -4.55 0.08 0.00 0.01 0.00 0.00 46.19 41.74 1ujd s LEU 68 CO 0.07 -1.97 0.75 -0.04 1.01 0.00 0.00 176.35 176.17 1ujd s MET 69 N -4.42 0.86 0.59 1.70 -1.94 -1.26 -4.90 119.30 109.93 1ujd s MET 69 Ca 0.66 0.70 -0.18 0.00 -1.71 0.00 0.00 55.69 55.16 1ujd s MET 69 Cb -0.20 0.42 -0.07 0.00 2.01 0.00 0.00 34.83 36.98 1ujd s MET 69 CO 0.49 -0.17 0.64 0.39 -0.01 0.00 0.00 175.02 176.36 1ujd n GLU 70 N 2.02 0.58 -0.51 2.03 4.71 -1.26 -2.01 120.64 126.20 1ujd n GLU 70 Ca -0.15 0.23 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 1ujd n GLU 70 Cb 0.56 -1.84 0.00 0.00 -1.01 0.00 0.00 31.44 29.15 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 1.64 1.19 3.65 0.62 0.00 -0.36 -4.99 105.19 106.94 1ujd n GLY 71 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.30 4.23 -0.04 1.61 -1.94 -0.85 -3.35 119.30 118.66 1ujd s MET 72 Ca 0.00 1.06 -0.30 0.00 -1.71 0.00 0.00 55.69 54.74 1ujd s MET 72 Cb 0.00 -3.62 -0.03 0.00 2.01 0.00 0.00 34.83 33.18 1ujd s MET 72 CO 0.00 -0.49 1.15 -1.14 -0.01 0.00 0.00 175.02 174.53 1ujd s GLN 73 N 2.72 4.39 -0.47 2.03 0.74 -1.26 0.11 119.66 127.92 1ujd s GLN 73 Ca 0.38 1.62 -0.24 0.00 0.05 0.00 0.00 55.36 57.17 1ujd s GLN 73 Cb -0.16 -3.52 0.03 0.00 1.10 0.00 0.00 33.01 30.46 1ujd s GLN 73 CO 0.09 -0.37 0.86 0.08 -0.55 0.00 0.00 175.29 175.40 1ujd s VAL 74 N 1.94 4.54 -0.06 1.34 1.01 0.21 -2.45 120.40 126.92 1ujd s VAL 74 Ca 0.55 0.53 -0.10 0.00 0.00 0.00 0.00 61.98 62.95 1ujd s VAL 74 Cb -0.24 -4.40 -0.06 0.00 0.00 0.00 0.00 36.38 31.68 1ujd s VAL 74 CO 0.23 -0.82 0.42 -0.07 0.00 0.00 0.00 175.10 174.85 1ujd h LEU 75 N 10.43 -0.27 -8.47 3.92 3.38 0.17 -3.36 115.31 121.12 1ujd h LEU 75 Ca -0.25 -0.04 -0.40 0.00 0.09 0.00 0.00 57.88 57.29 1ujd h LEU 75 Cb 1.08 0.07 -0.20 0.00 0.09 0.00 0.00 40.66 41.70 1ujd h LEU 75 CO 1.01 0.21 -0.77 -1.61 0.09 0.00 0.00 178.44 177.37 1ujd s GLU 76 N -2.67 0.88 -0.20 1.13 2.02 -1.03 -1.08 118.70 117.76 1ujd s GLU 76 Ca -0.06 -1.06 -0.04 0.00 0.02 0.00 0.00 54.97 53.83 1ujd s GLU 76 Cb 0.00 -0.80 0.07 0.00 0.10 0.00 0.00 34.13 33.50 1ujd s GLU 76 CO 0.18 0.17 0.09 -0.46 0.02 0.00 0.00 175.26 175.25 1ujd s TRP 77 N -1.67 0.45 -1.59 1.61 -0.11 0.55 0.18 118.94 118.36 1ujd s TRP 77 Ca 0.02 -0.58 -0.01 0.00 1.22 0.00 0.00 56.10 56.76 1ujd s TRP 77 Cb -0.08 -0.84 0.00 0.00 -1.50 0.00 0.00 33.47 31.06 1ujd s TRP 77 CO 0.02 -0.60 0.07 0.09 -4.62 0.00 0.00 176.95 171.91 1ujd n ASN 78 N 5.21 -5.49 0.00 5.86 3.02 0.21 -2.38 115.26 121.68 1ujd n ASN 78 Ca -0.07 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1ujd n ASN 78 Cb 0.47 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.13 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 -1.07 2.72 3.68 7.41 0.00 -1.26 -4.97 105.19 111.70 1ujd n GLY 79 Ca -0.21 -0.65 -0.45 0.00 0.00 0.00 0.00 46.02 44.71 1ujd n GLY 79 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ujd n ILE 80 N 0.00 0.49 -2.52 -0.61 -0.00 -1.00 -4.90 119.36 110.81 1ujd n ILE 80 Ca 0.00 -0.09 -0.37 0.00 -0.00 0.00 0.00 62.75 62.29 1ujd n ILE 80 Cb 0.00 -2.02 -0.04 0.00 -0.00 0.00 0.00 39.64 37.58 1ujd n ILE 80 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1ujd s PRO 81 N 3.37 4.20 -0.31 0.38 0.04 -1.26 -0.33 135.00 141.09 1ujd s PRO 81 Ca 0.87 1.55 0.09 0.00 0.04 0.00 0.00 61.00 63.55 1ujd s PRO 81 Cb -0.56 -2.60 0.56 0.00 0.04 0.00 0.00 34.50 31.93 1ujd s PRO 81 CO 0.43 -0.12 1.58 1.28 0.04 0.00 0.00 177.00 180.21 1ujd n LEU 82 N 0.04 4.76 -4.75 -3.56 4.77 -0.24 -4.89 117.00 113.13 1ujd n LEU 82 Ca 0.04 -3.62 -0.36 0.00 -0.03 0.00 0.00 56.01 52.04 1ujd n LEU 82 Cb 0.49 -0.68 -0.08 0.00 -2.33 0.00 0.00 43.42 40.82 1ujd n LEU 82 CO 0.46 1.12 -0.25 -0.89 -1.33 0.00 0.00 177.39 176.50 1ujd s THR 83 N -3.20 4.80 -0.93 -5.08 2.01 -1.26 -2.94 115.64 109.04 1ujd s THR 83 Ca 0.48 -0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.38 1ujd s THR 83 Cb 0.42 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1ujd s THR 83 CO 0.04 0.60 0.53 -0.24 -0.69 0.00 0.00 174.62 174.87 1ujd n SER 84 N 2.17 -4.58 -1.83 3.53 2.88 0.16 -4.98 113.62 110.98 1ujd n SER 84 Ca -0.19 -0.25 -0.02 0.00 -1.33 0.00 0.00 58.87 57.08 1ujd n SER 84 Cb 0.54 -3.33 -0.00 0.00 -0.75 0.00 0.00 64.21 60.66 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 -3.03 1.27 -4.32 -1.46 4.76 -1.26 -5.05 118.16 109.07 1ujd n LYS 85 Ca -0.04 -0.24 -0.17 0.00 -2.87 0.00 0.00 58.31 54.99 1ujd n LYS 85 Cb 0.56 0.11 -0.10 0.00 -1.84 0.00 0.00 35.03 33.76 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 -1.45 1.47 0.23 -0.18 -4.23 -1.26 -3.07 115.64 107.15 1ujd s THR 86 Ca 0.01 -2.14 -0.15 0.00 -1.18 0.00 0.00 61.69 58.23 1ujd s THR 86 Cb 0.00 -2.07 0.28 0.00 1.34 0.00 0.00 72.50 72.05 1ujd s THR 86 CO 0.01 -0.58 1.57 0.22 -0.54 0.00 0.00 174.62 175.30 1ujd h TYR 87 N 2.58 -0.77 0.00 3.99 5.03 -1.88 0.28 116.97 126.21 1ujd h TYR 87 Ca -0.38 0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.02 1ujd h TYR 87 Cb 1.21 0.46 0.00 0.00 1.55 0.00 0.00 36.73 39.96 1ujd h TYR 87 CO 0.68 -0.39 0.00 0.39 -1.32 0.00 0.00 178.16 177.52 1ujd n GLU 88 N -5.50 0.00 -0.21 1.82 1.02 -1.26 -0.87 120.64 115.63 1ujd n GLU 88 Ca 0.10 0.56 -0.06 0.00 -0.02 0.00 0.00 57.16 57.74 1ujd n GLU 88 Cb 0.41 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.31 1ujd n GLU 88 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ujd n GLU 89 N -2.08 -0.22 -0.32 3.49 1.02 -0.88 -0.84 120.64 120.81 1ujd n GLU 89 Ca 0.00 1.26 -0.09 0.00 -0.02 0.00 0.00 57.16 58.30 1ujd n GLU 89 Cb 0.00 -1.86 -0.08 0.00 -0.02 0.00 0.00 31.44 29.48 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 -0.96 2.62 2.07 -0.47 0.11 116.25 119.62 1ujd h VAL 90 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 1ujd h VAL 90 Cb 0.21 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.86 1ujd h VAL 90 CO -0.48 0.00 -0.56 1.67 0.02 0.00 0.00 177.57 178.22 1ujd n GLN 91 N -4.85 -0.42 -0.25 1.57 7.27 -0.02 0.60 117.38 121.28 1ujd n GLN 91 Ca 0.01 1.45 0.00 0.00 0.07 0.00 0.00 57.00 58.53 1ujd n GLN 91 Cb 0.22 -2.13 0.07 0.00 2.41 0.00 0.00 30.24 30.82 1ujd n GLN 91 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1ujd h SER 92 N 0.00 -0.77 -1.00 1.69 0.87 0.48 2.73 113.55 117.54 1ujd h SER 92 Ca 0.16 0.23 0.13 0.00 -1.23 0.00 0.00 61.79 61.07 1ujd h SER 92 Cb 0.39 0.48 -0.09 0.00 -0.44 0.00 0.00 62.40 62.75 1ujd h SER 92 CO -0.90 -0.25 0.63 0.40 -0.53 0.00 0.00 176.83 176.18 1ujd h ILE 93 N -0.02 0.90 0.07 2.23 2.04 0.13 -3.00 117.51 119.86 1ujd h ILE 93 Ca 0.34 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ujd h ILE 93 Cb 0.55 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1ujd h ILE 93 CO -0.76 0.18 -0.03 0.40 0.00 0.00 0.00 178.15 177.94 1ujd h ILE 94 N 0.97 0.00 -3.02 -0.67 2.04 0.31 -3.46 117.51 113.68 1ujd h ILE 94 Ca 0.50 -0.58 -0.56 0.00 1.00 0.00 0.00 64.86 65.22 1ujd h ILE 94 Cb 0.53 0.00 0.20 0.00 -0.74 0.00 0.00 36.82 36.80 1ujd h ILE 94 CO -0.27 0.00 -0.63 -0.24 0.00 0.00 0.00 178.15 177.01 1ujd n SER 95 N -3.86 -1.99 -1.98 1.72 2.88 0.83 -4.50 113.62 106.72 1ujd n SER 95 Ca -0.01 0.52 -0.02 0.00 -1.33 0.00 0.00 58.87 58.03 1ujd n SER 95 Cb 0.04 -1.14 -0.02 0.00 -0.75 0.00 0.00 64.21 62.34 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 -0.36 -2.43 -3.57 -1.46 7.27 -1.26 -4.77 117.38 110.80 1ujd n GLN 96 Ca 0.08 2.06 -0.08 0.00 0.07 0.00 0.00 57.00 59.13 1ujd n GLN 96 Cb 0.51 -3.00 -0.02 0.00 2.41 0.00 0.00 30.24 30.13 1ujd n GLN 96 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 1ujd s GLN 97 N -0.93 1.06 -0.04 3.69 0.00 -1.26 -5.02 119.66 117.16 1ujd s GLN 97 Ca -0.12 -0.46 -0.16 0.00 -0.00 0.00 0.00 55.36 54.62 1ujd s GLN 97 Cb 0.01 0.44 -0.10 0.00 0.00 0.00 0.00 33.01 33.36 1ujd s GLN 97 CO 0.33 -0.47 0.67 1.03 0.00 0.00 0.00 175.29 176.84 1ujd h SER 98 N 2.00 -0.37 0.00 12.60 0.87 -1.99 -3.49 113.55 123.17 1ujd h SER 98 Ca -0.25 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1ujd h SER 98 Cb 1.25 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 1ujd h SER 98 CO 0.30 0.09 0.00 0.61 -0.53 0.00 0.00 176.83 177.31 1ujd n GLY 99 N 0.50 -1.83 3.59 5.77 0.00 -1.26 -5.11 105.19 106.85 1ujd n GLY 99 Ca -0.07 0.66 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 1ujd n GLY 99 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ujd s GLU 100 N 0.00 -0.15 -0.26 1.61 1.03 -1.26 -4.55 118.70 115.11 1ujd s GLU 100 Ca 0.00 0.69 -0.34 0.00 0.03 0.00 0.00 54.97 55.35 1ujd s GLU 100 Cb 0.00 -1.65 0.17 0.00 -0.80 0.00 0.00 34.13 31.84 1ujd s GLU 100 CO 0.00 -3.17 1.32 0.00 -1.33 0.00 0.00 175.26 172.08 1ujd s ALA 101 N -2.73 -2.13 -0.12 -0.84 0.00 0.38 -4.98 121.76 111.34 1ujd s ALA 101 Ca 0.67 1.84 -0.06 0.00 0.00 0.00 0.00 51.96 54.40 1ujd s ALA 101 Cb -0.21 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1ujd s ALA 101 CO 0.61 -0.41 0.12 -2.00 0.00 0.00 0.00 175.76 174.07 1ujd s GLU 102 N -1.63 3.45 -0.10 0.00 2.12 -1.26 0.11 118.70 121.38 1ujd s GLU 102 Ca 0.10 -0.18 0.00 0.00 0.36 0.00 0.00 54.97 55.24 1ujd s GLU 102 Cb -0.01 -3.15 0.02 0.00 0.26 0.00 0.00 34.13 31.25 1ujd s GLU 102 CO -0.05 0.71 -0.08 -1.50 -0.54 0.00 0.00 175.26 173.80 1ujd s ILE 103 N -0.85 0.98 -0.37 -3.70 2.07 -1.12 0.63 121.20 118.84 1ujd s ILE 103 Ca 0.14 -0.29 -0.11 0.00 -1.41 0.00 0.00 60.65 58.98 1ujd s ILE 103 Cb -0.12 -0.99 0.03 0.00 0.13 0.00 0.00 42.46 41.51 1ujd s ILE 103 CO 0.03 0.35 0.20 0.00 -1.91 0.00 0.00 174.94 173.62 1ujd n VAL 105 N 4.99 0.00 -3.63 0.00 0.24 -1.23 0.19 118.33 118.90 1ujd n VAL 105 Ca -0.12 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 61.96 1ujd n VAL 105 Cb 0.46 -0.73 -0.17 0.00 -1.47 0.00 0.00 33.84 31.93 1ujd n VAL 105 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1ujd s ARG 106 N -1.89 0.02 0.00 7.34 3.52 -1.03 -4.01 118.95 122.90 1ujd s ARG 106 Ca 0.00 0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.79 1ujd s ARG 106 Cb 0.00 -1.10 -0.00 0.00 -1.56 0.00 0.00 34.95 32.29 1ujd s ARG 106 CO 0.00 -0.50 1.01 -0.07 -0.81 0.00 0.00 175.30 174.93 1ujd h LEU 107 N 8.41 -0.03 -9.13 -0.88 3.38 -1.02 -3.40 115.31 112.64 1ujd h LEU 107 Ca -0.14 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.35 1ujd h LEU 107 Cb 1.14 0.01 0.25 0.00 0.09 0.00 0.00 40.66 42.15 1ujd h LEU 107 CO 0.22 -0.02 -2.41 -0.67 0.09 0.00 0.00 178.44 175.65 1ujd n ASP 108 N -2.15 -2.91 -0.09 -0.43 2.03 -1.20 -4.69 116.55 107.10 1ujd n ASP 108 Ca -0.00 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1ujd n ASP 108 Cb 0.01 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 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 2.48 0.00 0.00 -2.67 7.99 -1.26 -4.96 117.00 118.58 1ujd n LEU 109 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 1ujd n LEU 109 Cb 0.73 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 44.04 1ujd n LEU 109 CO 0.45 -0.15 0.00 0.59 -1.51 0.00 0.00 177.39 176.77 1ujd n ASN 110 N 0.29 0.00 -4.71 -1.43 3.02 -1.26 -5.12 115.26 106.05 1ujd n ASN 110 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1ujd n ASN 110 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1ujd n ASN 110 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1ujd s MET 111 N 0.00 4.57 -0.11 3.52 -1.94 -1.21 -4.50 119.30 119.63 1ujd s MET 111 Ca 0.00 1.43 -0.05 0.00 -1.71 0.00 0.00 55.69 55.36 1ujd s MET 111 Cb 0.00 -3.45 0.02 0.00 2.01 0.00 0.00 34.83 33.41 1ujd s MET 111 CO 0.00 -0.03 0.10 0.45 -0.01 0.00 0.00 175.02 175.53 1ujd n SER 112 N 3.81 -4.59 -4.20 3.03 2.88 -1.26 -4.60 113.62 108.69 1ujd n SER 112 Ca 0.06 1.11 -0.34 0.00 -1.33 0.00 0.00 58.87 58.37 1ujd n SER 112 Cb 0.51 -3.42 -0.14 0.00 -0.75 0.00 0.00 64.21 60.41 1ujd n SER 112 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujd s GLY 113 N -0.52 1.61 -0.32 0.46 0.00 -1.26 -4.88 107.32 102.41 1ujd s GLY 113 Ca -0.12 -1.42 -0.29 0.00 0.00 0.00 0.00 44.72 42.89 1ujd s GLY 113 CO 0.40 0.49 1.36 2.56 0.00 0.00 0.00 173.10 177.91 1ujd s PRO 114 N 1.33 3.81 0.04 2.90 0.04 -1.26 -5.01 135.00 136.85 1ujd s PRO 114 Ca 0.01 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.26 1ujd s PRO 114 Cb -0.16 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 1ujd s PRO 114 CO -0.05 -1.26 0.09 0.45 0.04 0.00 0.00 177.00 176.27 1ujd s SER 115 N 3.24 5.68 0.44 6.66 0.15 -1.26 -5.11 113.70 123.50 1ujd s SER 115 Ca 0.59 0.10 -0.07 0.00 0.70 0.00 0.00 55.95 57.27 1ujd s SER 115 Cb -0.17 -1.60 -0.05 0.00 -1.71 0.00 0.00 66.02 62.49 1ujd s SER 115 CO 0.26 0.22 0.75 -0.55 1.20 0.00 0.00 173.24 175.13 1ujd s SER 116 N -2.08 6.36 0.00 5.45 0.15 -1.26 -5.34 113.70 116.98 1ujd s SER 116 Ca 0.27 0.96 0.00 0.00 0.70 0.00 0.00 55.95 57.88 1ujd s SER 116 Cb -0.12 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1ujd s SER 116 CO 0.19 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.76