#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 4.34 -0.21 1.61 0.15 -1.26 -5.11 113.70 113.22 1ujd s SER 2 Ca 0.00 -0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.43 1ujd s SER 2 Cb 0.00 -0.92 0.04 0.00 -1.71 0.00 0.00 66.02 63.43 1ujd s SER 2 CO 0.00 0.28 -0.16 -0.44 1.20 0.00 0.00 173.24 174.12 1ujd s SER 3 N -1.40 3.66 0.03 5.45 0.01 -1.26 -4.97 113.70 115.22 1ujd s SER 3 Ca 0.16 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1ujd s SER 3 Cb -0.11 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.63 1ujd s SER 3 CO 0.07 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.24 1ujd n GLY 4 N 4.55 -3.79 3.32 3.44 0.00 -1.26 -5.10 105.19 106.36 1ujd n GLY 4 Ca -0.18 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.24 -1.00 -0.38 1.61 0.01 -1.26 -5.03 113.70 107.41 1ujd s SER 5 Ca 0.00 0.93 -0.17 0.00 1.31 0.00 0.00 55.95 58.02 1ujd s SER 5 Cb 0.00 1.96 0.02 0.00 0.21 0.00 0.00 66.02 68.21 1ujd s SER 5 CO 0.00 -0.19 0.46 -1.20 0.41 0.00 0.00 173.24 172.72 1ujd n SER 6 N 5.35 -7.34 0.00 2.44 7.64 -1.26 -4.98 113.62 115.48 1ujd n SER 6 Ca -0.06 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.35 1ujd n SER 6 Cb 0.51 -4.29 0.00 0.00 -1.01 0.00 0.00 64.21 59.42 1ujd n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujd n GLY 7 N 0.02 -1.63 1.13 0.23 0.00 -1.26 -5.09 105.19 98.59 1ujd n GLY 7 Ca 0.04 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.21 -4.08 1.61 -0.00 -1.26 -5.10 115.22 106.18 1ujd n HIS 8 Ca 0.00 0.04 -0.13 0.00 -0.00 0.00 0.00 57.72 57.62 1ujd n HIS 8 Cb 0.00 0.05 -0.05 0.00 -0.00 0.00 0.00 29.99 29.99 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 0.94 -1.08 -1.40 2.02 -1.26 -5.02 117.35 109.55 1ujd s TYR 9 Ca 0.00 -1.20 0.27 0.00 -0.37 0.00 0.00 57.07 55.78 1ujd s TYR 9 Cb 0.00 -0.06 0.94 0.00 -0.40 0.00 0.00 41.96 42.44 1ujd s TYR 9 CO 0.00 -1.08 1.71 0.44 -1.57 0.00 0.00 175.55 175.05 1ujd n ILE 10 N -0.51 0.00 -4.21 2.71 -5.35 -1.26 -4.85 119.36 105.89 1ujd n ILE 10 Ca 0.00 -0.01 -0.23 0.00 -0.27 0.00 0.00 62.75 62.25 1ujd n ILE 10 Cb 0.62 -0.14 -0.07 0.00 -1.74 0.00 0.00 39.64 38.31 1ujd n ILE 10 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1ujd s PHE 11 N -2.93 2.75 -0.14 4.28 -0.12 -1.26 -5.09 117.98 115.47 1ujd s PHE 11 Ca 0.15 -0.26 -0.29 0.00 -0.05 0.00 0.00 56.93 56.47 1ujd s PHE 11 Cb 0.19 -1.37 -0.02 0.00 -0.63 0.00 0.00 43.02 41.19 1ujd s PHE 11 CO 0.59 0.51 1.26 -1.25 -0.05 0.00 0.00 175.22 176.29 1ujd s PRO 12 N -3.75 4.25 0.18 1.99 0.04 -1.26 -4.98 135.00 131.47 1ujd s PRO 12 Ca 0.34 1.68 0.03 0.00 0.04 0.00 0.00 61.00 63.09 1ujd s PRO 12 Cb -0.05 -3.73 -0.05 0.00 0.04 0.00 0.00 34.50 30.71 1ujd s PRO 12 CO 0.21 -0.66 -0.03 -3.38 0.04 0.00 0.00 177.00 173.18 1ujd s HIS 13 N 3.28 1.34 -0.28 0.56 -3.43 -1.26 0.57 115.29 116.07 1ujd s HIS 13 Ca 0.55 -0.90 -0.01 0.00 -0.80 0.00 0.00 55.06 53.90 1ujd s HIS 13 Cb -0.23 -0.74 0.09 0.00 -1.43 0.00 0.00 32.58 30.27 1ujd s HIS 13 CO 0.16 -0.06 0.07 0.00 -2.00 0.00 0.00 174.74 172.92 1ujd s ALA 14 N -3.47 1.48 -0.81 -1.38 0.00 -1.11 -4.80 121.76 111.67 1ujd s ALA 14 Ca 0.23 -1.45 -0.23 0.00 0.00 0.00 0.00 51.96 50.51 1ujd s ALA 14 Cb 0.05 -1.52 0.07 0.00 0.00 0.00 0.00 23.12 21.72 1ujd s ALA 14 CO 0.04 -1.52 1.16 1.03 0.00 0.00 0.00 175.76 176.47 1ujd s ARG 15 N 1.64 3.34 -0.02 0.00 0.52 -1.26 -4.22 118.95 118.95 1ujd s ARG 15 Ca 0.06 -1.01 0.04 0.00 -0.52 0.00 0.00 55.73 54.30 1ujd s ARG 15 Cb -0.17 -4.61 -0.01 0.00 0.52 0.00 0.00 34.95 30.68 1ujd s ARG 15 CO -0.20 -1.95 -0.13 0.42 0.02 0.00 0.00 175.30 173.46 1ujd s ILE 16 N 4.22 1.08 0.90 1.52 1.01 -1.24 -5.04 121.20 123.65 1ujd s ILE 16 Ca 0.32 -0.56 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 1ujd s ILE 16 Cb -0.09 -0.92 0.16 0.00 0.01 0.00 0.00 42.46 41.63 1ujd s ILE 16 CO 0.02 0.31 1.26 -1.59 0.00 0.00 0.00 174.94 174.94 1ujd s LYS 17 N -0.17 1.05 -0.08 2.79 -2.85 -1.26 -3.21 119.74 116.01 1ujd s LYS 17 Ca 0.02 -0.33 0.01 0.00 -1.00 0.00 0.00 55.97 54.67 1ujd s LYS 17 Cb -0.07 -1.91 0.02 0.00 -2.06 0.00 0.00 37.83 33.81 1ujd s LYS 17 CO 0.00 -2.13 -0.07 0.42 0.10 0.00 0.00 175.35 173.66 1ujd s ILE 18 N -3.75 0.89 0.09 3.79 1.01 0.29 -4.87 121.20 118.64 1ujd s ILE 18 Ca 0.70 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 61.15 1ujd s ILE 18 Cb -0.06 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 1ujd s ILE 18 CO 0.51 0.32 -0.07 0.42 0.00 0.00 0.00 174.94 176.13 1ujd s THR 19 N 1.29 3.58 -0.08 2.92 -4.23 -1.26 -0.69 115.64 117.17 1ujd s THR 19 Ca -0.04 -1.13 -0.07 0.00 -1.18 0.00 0.00 61.69 59.27 1ujd s THR 19 Cb -0.14 -2.67 -0.02 0.00 1.34 0.00 0.00 72.50 71.01 1ujd s THR 19 CO -0.03 0.15 -0.15 -1.14 -0.54 0.00 0.00 174.62 172.91 1ujd n ARG 20 N 0.77 0.24 -2.28 3.99 3.00 -1.26 -4.84 116.66 116.28 1ujd n ARG 20 Ca -0.13 0.16 -0.03 0.00 -0.00 0.00 0.00 57.85 57.85 1ujd n ARG 20 Cb 0.52 -0.99 -0.02 0.00 0.00 0.00 0.00 32.46 31.97 1ujd n ARG 20 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1ujd n ASP 21 N -3.40 -2.34 -4.04 6.15 -0.08 -1.26 -5.07 116.55 106.51 1ujd n ASP 21 Ca -0.06 0.95 -0.27 0.00 -1.51 0.00 0.00 54.79 53.90 1ujd n ASP 21 Cb 0.22 -3.96 -0.08 0.00 2.34 0.00 0.00 41.12 39.64 1ujd n ASP 21 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1ujd s SER 22 N -0.65 2.98 -0.09 1.67 0.15 -1.26 -5.10 113.70 111.39 1ujd s SER 22 Ca -0.14 -1.75 -0.12 0.00 0.70 0.00 0.00 55.95 54.64 1ujd s SER 22 Cb 0.01 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.91 1ujd s SER 22 CO 0.55 -1.00 -0.24 0.29 1.20 0.00 0.00 173.24 174.04 1ujd n LYS 23 N -0.98 0.36 -0.95 5.44 4.01 -1.26 -5.01 118.16 119.76 1ujd n LYS 23 Ca -0.07 0.14 -0.33 0.00 -0.51 0.00 0.00 58.31 57.54 1ujd n LYS 23 Cb 0.65 -1.13 0.13 0.00 -0.51 0.00 0.00 35.03 34.16 1ujd n LYS 23 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 1ujd n ASP 24 N -4.15 0.07 -0.04 4.39 8.00 -1.26 -4.98 116.55 118.58 1ujd n ASP 24 Ca -0.10 0.50 -0.01 0.00 0.71 0.00 0.00 54.79 55.89 1ujd n ASP 24 Cb 0.36 -1.42 -0.00 0.00 -0.02 0.00 0.00 41.12 40.04 1ujd n ASP 24 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 1ujd h HIS 25 N -1.23 0.00 0.00 1.24 3.86 -1.95 -3.47 115.15 113.60 1ujd h HIS 25 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1ujd h HIS 25 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 1ujd h HIS 25 CO 0.45 0.00 -0.19 2.41 0.86 0.00 0.00 177.93 181.45 1ujd n THR 26 N -3.85 0.72 -1.50 2.45 -1.04 -1.26 -5.06 114.28 104.75 1ujd n THR 26 Ca -0.02 0.24 -0.47 0.00 -2.04 0.00 0.00 64.05 61.76 1ujd n THR 26 Cb 0.06 -1.33 -0.03 0.00 -1.82 0.00 0.00 70.33 67.21 1ujd n THR 26 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1ujd n VAL 27 N -3.35 1.76 -2.60 12.58 0.24 -1.26 -3.95 118.33 121.75 1ujd n VAL 27 Ca 0.00 -0.44 -0.04 0.00 -2.04 0.00 0.00 64.34 61.82 1ujd n VAL 27 Cb 0.10 -0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 31.96 1ujd n VAL 27 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ujd n SER 28 N 1.68 -2.71 -3.79 -1.34 7.64 -1.26 -4.79 113.62 109.06 1ujd n SER 28 Ca 0.15 1.39 -0.26 0.00 1.01 0.00 0.00 58.87 61.16 1ujd n SER 28 Cb 0.27 -4.75 -0.17 0.00 -1.01 0.00 0.00 64.21 58.55 1ujd n SER 28 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujd s GLY 29 N -0.56 0.67 -0.13 0.23 0.00 -1.25 -4.86 107.32 101.42 1ujd s GLY 29 Ca -0.20 -0.48 -0.19 0.00 0.00 0.00 0.00 44.72 43.84 1ujd s GLY 29 CO 0.55 1.17 0.49 -0.57 0.00 0.00 0.00 173.10 174.74 1ujd h ASN 30 N 8.25 0.00 -5.00 1.64 -0.73 -1.95 -3.51 115.58 114.28 1ujd h ASN 30 Ca -0.20 -0.64 0.00 0.00 1.87 0.00 0.00 56.30 57.33 1ujd h ASN 30 Cb 1.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.71 1ujd h ASN 30 CO 0.32 0.85 0.00 0.61 -0.37 0.00 0.00 177.43 178.84 1ujd n GLY 31 N 1.66 1.88 0.22 1.57 0.00 -1.26 -4.75 105.19 104.51 1ujd n GLY 31 Ca -0.07 -2.06 -0.04 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.57 -0.47 0.99 3.38 -1.95 -3.45 115.31 113.24 1ujd h LEU 32 Ca 0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ujd h LEU 32 Cb 0.00 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ujd h LEU 32 CO 0.00 -0.20 0.00 0.61 0.09 0.00 0.00 178.44 178.94 1ujd n GLY 33 N -1.37 0.83 3.03 0.83 0.00 -1.26 0.82 105.19 108.08 1ujd n GLY 33 Ca 0.03 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.01 -0.02 -0.27 -0.61 2.07 -1.26 -3.47 121.20 115.62 1ujd s ILE 34 Ca 0.00 0.07 -0.04 0.00 -1.41 0.00 0.00 60.65 59.27 1ujd s ILE 34 Cb 0.00 -0.29 0.02 0.00 0.13 0.00 0.00 42.46 42.32 1ujd s ILE 34 CO 0.00 0.03 0.01 -0.13 -1.91 0.00 0.00 174.94 172.93 1ujd s ARG 35 N 0.58 2.94 -0.09 3.50 0.52 -1.14 -4.98 118.95 120.27 1ujd s ARG 35 Ca -0.04 -0.93 0.04 0.00 -0.52 0.00 0.00 55.73 54.28 1ujd s ARG 35 Cb -0.05 -3.17 0.00 0.00 0.52 0.00 0.00 34.95 32.25 1ujd s ARG 35 CO -0.03 -0.42 -0.23 0.42 0.02 0.00 0.00 175.30 175.06 1ujd s ILE 36 N 1.40 1.95 -0.10 1.52 1.01 -1.26 0.11 121.20 125.84 1ujd s ILE 36 Ca 0.01 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.72 1ujd s ILE 36 Cb -0.17 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 1ujd s ILE 36 CO -0.01 0.54 -0.18 -0.69 0.00 0.00 0.00 174.94 174.59 1ujd s VAL 37 N 0.32 2.63 0.56 2.92 1.01 0.28 -4.84 120.40 123.29 1ujd s VAL 37 Ca -0.17 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.03 1ujd s VAL 37 Cb -0.17 -2.05 0.10 0.00 0.00 0.00 0.00 36.38 34.26 1ujd s VAL 37 CO 0.08 0.55 0.77 0.61 0.00 0.00 0.00 175.10 177.11 1ujd n GLY 38 N 3.23 1.42 3.72 4.51 0.00 -1.26 -1.85 105.19 114.96 1ujd n GLY 38 Ca -0.18 -2.13 -0.22 0.00 0.00 0.00 0.00 46.02 43.49 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 -1.37 -0.33 3.21 -0.02 0.00 -0.35 -3.93 105.19 102.41 1ujd n GLY 39 Ca 0.14 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 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 -6.00 2.57 0.10 1.61 2.20 -0.83 -4.85 119.74 114.54 1ujd s LYS 40 Ca 0.03 -0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 54.51 1ujd s LYS 40 Cb -0.01 -2.07 -0.09 0.00 -1.51 0.00 0.00 37.83 34.15 1ujd s LYS 40 CO 0.82 0.26 1.58 -2.00 -0.36 0.00 0.00 175.35 175.65 1ujd s GLU 41 N 0.12 4.22 0.14 4.03 2.12 -1.26 -0.95 118.70 127.12 1ujd s GLU 41 Ca -0.10 2.29 -0.22 0.00 0.36 0.00 0.00 54.97 57.30 1ujd s GLU 41 Cb -0.15 -3.41 -0.08 0.00 0.26 0.00 0.00 34.13 30.75 1ujd s GLU 41 CO 0.05 -0.65 0.69 0.42 -0.54 0.00 0.00 175.26 175.23 1ujd s ILE 42 N 1.96 4.54 -0.03 -3.70 1.01 -0.37 -4.95 121.20 119.67 1ujd s ILE 42 Ca 0.71 1.45 -0.23 0.00 0.00 0.00 0.00 60.65 62.58 1ujd s ILE 42 Cb -0.40 -4.00 -0.22 0.00 0.01 0.00 0.00 42.46 37.84 1ujd s ILE 42 CO 0.31 0.49 1.08 1.55 0.00 0.00 0.00 174.94 178.37 1ujd h PRO 43 N 4.26 0.24 0.05 2.79 0.13 -1.91 -3.37 132.00 134.19 1ujd h PRO 43 Ca -0.48 -0.23 -0.00 0.00 -0.87 0.00 0.00 66.00 64.41 1ujd h PRO 43 Cb 1.21 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ujd h PRO 43 CO 0.65 0.93 -0.04 0.78 -0.23 0.00 0.00 178.00 180.09 1ujd h GLY 44 N -0.36 -0.55 -2.26 1.56 0.00 -1.94 -3.44 103.07 96.08 1ujd h GLY 44 Ca -0.03 0.24 -0.51 0.00 0.00 0.00 0.00 47.33 47.02 1ujd h GLY 44 CO 0.06 -0.20 -1.83 1.42 0.00 0.00 0.00 176.54 175.99 1ujd n HIS 45 N -2.44 -2.73 0.00 5.60 8.25 -1.26 -4.89 115.22 117.75 1ujd n HIS 45 Ca -0.01 0.27 -0.18 0.00 -0.26 0.00 0.00 57.72 57.54 1ujd n HIS 45 Cb 0.04 -1.49 -0.11 0.00 1.12 0.00 0.00 29.99 29.55 1ujd n HIS 45 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 1ujd h SER 46 N -1.26 0.58 -0.32 0.41 0.02 -1.86 -3.45 113.55 107.67 1ujd h SER 46 Ca -0.44 -0.75 0.03 0.00 -0.84 0.00 0.00 61.79 59.80 1ujd h SER 46 Cb 1.34 -0.18 -0.16 0.00 0.14 0.00 0.00 62.40 63.54 1ujd h SER 46 CO 0.27 1.25 -0.17 -0.83 -1.14 0.00 0.00 176.83 176.20 1ujd s GLY 47 N -4.09 -1.70 -0.03 -3.77 0.00 -1.26 -5.07 107.32 91.40 1ujd s GLY 47 Ca -0.13 0.71 -0.20 0.00 0.00 0.00 0.00 44.72 45.10 1ujd s GLY 47 CO 0.83 4.21 0.42 1.85 0.00 0.00 0.00 173.10 180.42 1ujd s GLU 48 N 1.35 0.79 0.22 2.90 2.56 -1.26 -5.06 118.70 120.20 1ujd s GLU 48 Ca 0.21 -0.05 0.03 0.00 0.00 0.00 0.00 54.97 55.16 1ujd s GLU 48 Cb 0.07 0.36 -0.03 0.00 2.00 0.00 0.00 34.13 36.53 1ujd s GLU 48 CO -0.11 -0.23 0.37 0.96 -0.56 0.00 0.00 175.26 175.68 1ujd s ILE 49 N -1.28 5.25 0.00 -3.70 -4.36 -1.26 -1.23 121.20 114.62 1ujd s ILE 49 Ca -0.13 -0.78 0.00 0.00 -0.26 0.00 0.00 60.65 59.49 1ujd s ILE 49 Cb -0.04 -3.82 0.00 0.00 1.25 0.00 0.00 42.46 39.86 1ujd s ILE 49 CO 0.06 -0.28 0.00 0.61 0.24 0.00 0.00 174.94 175.57 1ujd n GLY 50 N -1.14 2.96 3.29 6.27 0.00 -0.12 0.22 105.19 116.66 1ujd n GLY 50 Ca -0.07 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.00 2.02 0.14 4.61 0.00 -1.22 -1.21 121.76 125.10 1ujd s ALA 51 Ca 0.00 -1.09 -0.13 0.00 0.00 0.00 0.00 51.96 50.74 1ujd s ALA 51 Cb 0.00 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.66 1ujd s ALA 51 CO 0.00 0.49 0.34 1.52 0.00 0.00 0.00 175.76 178.11 1ujd s TYR 52 N -0.65 0.05 -0.47 0.00 1.13 -0.77 0.59 117.35 117.23 1ujd s TYR 52 Ca 0.10 -0.41 -0.29 0.00 -1.41 0.00 0.00 57.07 55.06 1ujd s TYR 52 Cb -0.09 0.12 0.01 0.00 -1.10 0.00 0.00 41.96 40.91 1ujd s TYR 52 CO 0.00 -0.70 1.37 0.42 -2.51 0.00 0.00 175.55 174.13 1ujd s ILE 53 N -3.87 3.91 0.06 -3.49 1.01 -1.00 -0.56 121.20 117.27 1ujd s ILE 53 Ca 0.08 0.89 -0.30 0.00 0.00 0.00 0.00 60.65 61.32 1ujd s ILE 53 Cb 0.02 -4.34 -0.18 0.00 0.01 0.00 0.00 42.46 37.98 1ujd s ILE 53 CO -0.07 -0.92 1.58 0.00 0.00 0.00 0.00 174.94 175.53 1ujd h ALA 54 N 10.59 -0.71 -2.35 9.38 0.00 0.43 -1.73 119.26 134.88 1ujd h ALA 54 Ca -0.27 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1ujd h ALA 54 Cb 1.09 0.27 -0.24 0.00 0.00 0.00 0.00 17.79 18.92 1ujd h ALA 54 CO 1.12 -0.87 -0.12 0.21 0.00 0.00 0.00 179.25 179.58 1ujd s LYS 55 N -5.85 0.57 -0.40 0.00 2.47 -1.19 -4.45 119.74 110.88 1ujd s LYS 55 Ca -0.16 0.94 -0.26 0.00 -1.56 0.00 0.00 55.97 54.93 1ujd s LYS 55 Cb 0.04 0.12 0.02 0.00 -1.46 0.00 0.00 37.83 36.55 1ujd s LYS 55 CO 0.61 -0.13 0.93 0.42 0.16 0.00 0.00 175.35 177.34 1ujd s ILE 56 N 1.19 4.54 1.00 5.43 1.01 -1.26 -2.90 121.20 130.21 1ujd s ILE 56 Ca -0.07 1.06 -0.19 0.00 0.00 0.00 0.00 60.65 61.45 1ujd s ILE 56 Cb -0.06 -4.37 -0.13 0.00 0.01 0.00 0.00 42.46 37.91 1ujd s ILE 56 CO -0.12 -0.64 -0.83 0.18 0.00 0.00 0.00 174.94 173.54 1ujd n LEU 57 N 6.93 -4.43 -4.55 2.97 4.77 -1.23 -4.72 117.00 116.74 1ujd n LEU 57 Ca 0.07 0.13 -0.39 0.00 -0.03 0.00 0.00 56.01 55.79 1ujd n LEU 57 Cb 0.48 -0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 1ujd n LEU 57 CO 0.60 -4.72 1.39 -2.16 -1.33 0.00 0.00 177.39 171.17 1ujd s PRO 58 N -2.26 2.92 -0.72 3.23 0.04 -1.26 -3.12 135.00 133.84 1ujd s PRO 58 Ca 0.42 0.12 -0.03 0.00 0.04 0.00 0.00 61.00 61.55 1ujd s PRO 58 Cb -0.11 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 30.10 1ujd s PRO 58 CO 0.76 -2.46 0.36 0.41 0.04 0.00 0.00 177.00 176.12 1ujd n GLY 59 N 5.61 0.14 0.00 0.56 0.00 -1.26 -5.03 105.19 105.22 1ujd n GLY 59 Ca 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.14 -1.45 0.07 -0.02 0.00 -1.18 -4.70 105.19 96.76 1ujd n GLY 60 Ca -0.04 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.66 1.61 0.02 0.33 -2.21 113.55 112.63 1ujd h SER 61 Ca 0.00 -0.94 0.08 0.00 -0.84 0.00 0.00 61.79 60.09 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 0.96 0.33 0.00 -1.14 0.00 0.00 176.83 176.99 1ujd h ALA 62 N -0.03 0.89 -0.04 3.77 0.00 -1.79 0.93 119.26 123.00 1ujd h ALA 62 Ca -0.00 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1ujd h ALA 62 Cb 0.94 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1ujd h ALA 62 CO 0.00 -0.04 -0.35 1.49 0.00 0.00 0.00 179.25 180.35 1ujd h GLU 63 N 0.59 0.07 0.76 0.00 4.81 -1.80 -3.12 114.58 115.90 1ujd h GLU 63 Ca 0.32 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1ujd h GLU 63 Cb 0.29 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1ujd h GLU 63 CO -0.23 0.41 -0.39 1.96 -0.73 0.00 0.00 179.01 180.02 1ujd h GLN 64 N 0.06 -1.02 -0.90 1.92 4.20 -0.18 -2.86 115.11 116.33 1ujd h GLN 64 Ca 0.01 0.07 0.18 0.00 0.06 0.00 0.00 58.65 58.96 1ujd h GLN 64 Cb 0.65 0.23 -0.17 0.00 0.30 0.00 0.00 27.48 28.49 1ujd h GLN 64 CO 0.05 -0.68 -0.24 1.79 -0.67 0.00 0.00 178.83 179.08 1ujd h THR 65 N -1.06 0.10 0.00 -0.54 1.35 -1.29 -3.45 112.91 108.01 1ujd h THR 65 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1ujd h THR 65 Cb 0.83 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 1ujd h THR 65 CO 0.15 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.03 1ujd n GLY 66 N -1.57 0.95 0.54 5.82 0.00 -1.08 -4.95 105.19 104.91 1ujd n GLY 66 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.08 0.00 -1.84 1.61 4.76 -1.26 -5.05 118.16 114.30 1ujd n LYS 67 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 1ujd n LYS 67 Cb 0.00 -0.63 -0.01 0.00 -1.84 0.00 0.00 35.03 32.55 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 -4.87 4.34 0.32 -0.35 1.43 -1.23 -5.01 118.68 113.32 1ujd s LEU 68 Ca 0.00 2.96 0.04 0.00 -1.03 0.00 0.00 54.13 56.10 1ujd s LEU 68 Cb 0.00 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1ujd s LEU 68 CO 0.00 -0.84 0.16 -0.04 0.23 0.00 0.00 176.35 175.86 1ujd s MET 69 N -1.50 1.65 0.77 1.70 -1.94 -1.26 -4.53 119.30 114.19 1ujd s MET 69 Ca 0.56 -1.95 -0.12 0.00 -1.71 0.00 0.00 55.69 52.47 1ujd s MET 69 Cb -0.46 -0.16 0.05 0.00 2.01 0.00 0.00 34.83 36.27 1ujd s MET 69 CO 0.57 -0.46 1.12 -1.21 -0.01 0.00 0.00 175.02 175.03 1ujd s GLU 70 N -3.78 2.30 -1.66 2.03 2.02 -1.26 -3.95 118.70 114.40 1ujd s GLU 70 Ca 0.34 0.40 -0.10 0.00 0.02 0.00 0.00 54.97 55.64 1ujd s GLU 70 Cb 0.05 -1.96 0.10 0.00 0.10 0.00 0.00 34.13 32.41 1ujd s GLU 70 CO 0.18 -1.42 0.36 0.41 0.02 0.00 0.00 175.26 174.81 1ujd n GLY 71 N -2.79 -0.27 3.47 -1.39 0.00 -0.65 -4.75 105.19 98.82 1ujd n GLY 71 Ca 0.07 0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 -7.17 3.34 -0.25 1.61 -1.94 -1.25 0.35 119.30 113.98 1ujd s MET 72 Ca 0.37 -0.73 -0.28 0.00 -1.71 0.00 0.00 55.69 53.34 1ujd s MET 72 Cb -0.21 -3.69 -0.05 0.00 2.01 0.00 0.00 34.83 32.88 1ujd s MET 72 CO 0.98 -0.46 2.25 0.94 -0.01 0.00 0.00 175.02 178.72 1ujd n GLN 73 N 5.04 1.83 -2.75 2.03 7.27 -1.26 -2.37 117.38 127.17 1ujd n GLN 73 Ca -0.13 0.46 -0.43 0.00 0.07 0.00 0.00 57.00 56.97 1ujd n GLN 73 Cb 0.49 -3.25 -0.03 0.00 2.41 0.00 0.00 30.24 29.86 1ujd n GLN 73 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1ujd s VAL 74 N 8.80 4.36 -0.06 1.69 1.01 0.20 -2.54 120.40 133.86 1ujd s VAL 74 Ca 1.01 0.83 -0.13 0.00 0.00 0.00 0.00 61.98 63.69 1ujd s VAL 74 Cb -0.33 -4.51 -0.09 0.00 0.00 0.00 0.00 36.38 31.46 1ujd s VAL 74 CO 0.34 -0.94 0.54 -0.07 0.00 0.00 0.00 175.10 174.97 1ujd h LEU 75 N 10.87 -0.26 -8.17 3.92 3.38 -0.77 -3.35 115.31 120.93 1ujd h LEU 75 Ca -0.24 -0.12 -0.27 0.00 0.09 0.00 0.00 57.88 57.34 1ujd h LEU 75 Cb 1.07 0.07 -0.21 0.00 0.09 0.00 0.00 40.66 41.68 1ujd h LEU 75 CO 1.07 0.24 -0.73 -1.61 0.09 0.00 0.00 178.44 177.50 1ujd s GLU 76 N -2.85 0.53 -0.08 1.13 2.02 -1.14 -3.64 118.70 114.66 1ujd s GLU 76 Ca -0.08 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.15 1ujd s GLU 76 Cb 0.00 -0.29 0.02 0.00 0.10 0.00 0.00 34.13 33.97 1ujd s GLU 76 CO 0.26 0.05 -0.09 -0.46 0.02 0.00 0.00 175.26 175.04 1ujd s TRP 77 N -1.42 1.35 -1.25 1.61 -0.11 0.14 -0.76 118.94 118.51 1ujd s TRP 77 Ca -0.10 -0.58 -0.01 0.00 1.22 0.00 0.00 56.10 56.64 1ujd s TRP 77 Cb -0.10 -1.09 0.00 0.00 -1.50 0.00 0.00 33.47 30.79 1ujd s TRP 77 CO 0.00 -0.38 0.05 0.09 -4.62 0.00 0.00 176.95 172.09 1ujd n ASN 78 N 4.41 -4.45 0.00 5.86 3.02 0.12 -0.47 115.26 123.76 1ujd n ASN 78 Ca -0.18 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1ujd n ASN 78 Cb 0.51 -3.74 0.00 0.00 -0.61 0.00 0.00 39.78 35.94 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 -0.90 1.94 3.69 7.41 0.00 -1.26 -4.93 105.19 111.13 1ujd n GLY 79 Ca -0.16 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.49 3.58 0.28 -0.61 1.09 0.38 -4.95 121.20 120.48 1ujd s ILE 80 Ca 0.00 0.99 -0.29 0.00 -1.10 0.00 0.00 60.65 60.24 1ujd s ILE 80 Cb 0.00 -3.63 -0.09 0.00 -1.06 0.00 0.00 42.46 37.67 1ujd s ILE 80 CO 0.00 0.00 1.08 -2.16 -0.10 0.00 0.00 174.94 173.76 1ujd s PRO 81 N 2.37 4.66 -0.12 2.79 0.04 -1.26 -0.68 135.00 142.80 1ujd s PRO 81 Ca 0.65 1.77 0.15 0.00 0.04 0.00 0.00 61.00 63.61 1ujd s PRO 81 Cb -0.33 -3.19 0.27 0.00 0.04 0.00 0.00 34.50 31.29 1ujd s PRO 81 CO 0.28 0.24 1.14 1.47 0.04 0.00 0.00 177.00 180.17 1ujd n LEU 82 N 1.21 1.98 -4.83 -3.56 -0.00 -1.24 -4.92 117.00 105.65 1ujd n LEU 82 Ca -0.01 -2.84 -0.36 0.00 -0.00 0.00 0.00 56.01 52.80 1ujd n LEU 82 Cb 0.45 -0.36 -0.06 0.00 -0.00 0.00 0.00 43.42 43.45 1ujd n LEU 82 CO 0.53 0.74 0.35 -0.89 -0.00 0.00 0.00 177.39 178.11 1ujd s THR 83 N -2.37 4.68 -1.74 1.47 2.01 -1.26 -3.43 115.64 115.00 1ujd s THR 83 Ca 0.28 1.11 0.00 0.00 0.31 0.00 0.00 61.69 63.39 1ujd s THR 83 Cb 0.25 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.95 1ujd s THR 83 CO 0.00 0.23 0.00 -0.24 -0.69 0.00 0.00 174.62 173.92 1ujd n SER 84 N 0.78 -5.75 -2.67 3.53 2.88 0.13 -4.94 113.62 107.58 1ujd n SER 84 Ca -0.04 -0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.44 1ujd n SER 84 Cb 0.51 -4.78 -0.00 0.00 -0.75 0.00 0.00 64.21 59.19 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 -2.92 1.38 -4.31 -1.46 5.02 -1.25 -4.98 118.16 109.64 1ujd n LYS 85 Ca -0.24 -0.83 -0.27 0.00 -2.02 0.00 0.00 58.31 54.95 1ujd n LYS 85 Cb 0.68 0.12 -0.10 0.00 -0.02 0.00 0.00 35.03 35.71 1ujd n LYS 85 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1ujd s THR 86 N -0.80 3.06 0.11 -0.18 -4.23 -1.26 -2.76 115.64 109.58 1ujd s THR 86 Ca 0.06 -1.70 -0.21 0.00 -1.18 0.00 0.00 61.69 58.66 1ujd s THR 86 Cb -0.00 -2.51 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 1ujd s THR 86 CO 0.04 -0.10 1.25 0.00 -0.54 0.00 0.00 174.62 175.27 1ujd n TYR 87 N 0.11 -0.30 -0.00 3.99 4.19 -1.25 -0.78 117.16 123.11 1ujd n TYR 87 Ca -0.11 0.86 -0.05 0.00 3.31 0.00 0.00 57.90 61.91 1ujd n TYR 87 Cb 0.55 -0.54 -0.04 0.00 0.49 0.00 0.00 39.34 39.81 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 -0.20 0.00 2.98 5.08 -1.96 0.18 114.58 120.65 1ujd h GLU 88 Ca 0.11 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1ujd h GLU 88 Cb 0.28 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ujd h GLU 88 CO -0.65 -0.13 0.00 0.39 -1.00 0.00 0.00 179.01 177.61 1ujd n GLU 89 N -3.59 0.00 -0.34 2.33 1.02 -0.43 -0.20 120.64 119.43 1ujd n GLU 89 Ca -0.02 0.80 -0.09 0.00 -0.02 0.00 0.00 57.16 57.82 1ujd n GLU 89 Cb 0.14 -1.26 -0.08 0.00 -0.02 0.00 0.00 31.44 30.22 1ujd n GLU 89 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ujd n VAL 90 N -2.39 -0.55 -0.23 2.62 0.31 0.04 -0.91 118.33 117.22 1ujd n VAL 90 Ca 0.00 2.24 -0.06 0.00 -0.01 0.00 0.00 64.34 66.51 1ujd n VAL 90 Cb 0.00 -2.79 -0.05 0.00 -0.91 0.00 0.00 33.84 30.09 1ujd n VAL 90 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1ujd n GLN 91 N -4.82 -0.24 -0.33 5.55 0.00 0.60 0.22 117.38 118.36 1ujd n GLN 91 Ca 0.02 1.24 0.02 0.00 -0.00 0.00 0.00 57.00 58.28 1ujd n GLN 91 Cb 0.21 -1.84 0.09 0.00 0.00 0.00 0.00 30.24 28.70 1ujd n GLN 91 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 1ujd h SER 92 N 0.00 -1.06 -0.91 1.69 0.02 0.13 2.75 113.55 116.17 1ujd h SER 92 Ca 0.09 0.28 0.12 0.00 -0.84 0.00 0.00 61.79 61.44 1ujd h SER 92 Cb 0.22 0.63 -0.09 0.00 0.14 0.00 0.00 62.40 63.31 1ujd h SER 92 CO -0.51 -0.30 0.54 0.40 -1.14 0.00 0.00 176.83 175.81 1ujd h ILE 93 N -0.02 0.85 0.11 3.27 2.04 0.10 -2.99 117.51 120.87 1ujd h ILE 93 Ca 0.39 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1ujd h ILE 93 Cb 0.64 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1ujd h ILE 93 CO -0.93 0.15 -0.05 0.40 0.00 0.00 0.00 178.15 177.72 1ujd h ILE 94 N 0.83 0.00 -1.97 -0.67 2.04 0.47 -3.43 117.51 114.78 1ujd h ILE 94 Ca 0.47 -0.55 -0.41 0.00 1.00 0.00 0.00 64.86 65.37 1ujd h ILE 94 Cb 0.52 0.00 0.21 0.00 -0.74 0.00 0.00 36.82 36.82 1ujd h ILE 94 CO -0.29 0.00 -1.21 -0.24 0.00 0.00 0.00 178.15 176.41 1ujd n SER 95 N -3.91 -2.62 0.00 1.72 2.88 0.80 -2.88 113.62 109.62 1ujd n SER 95 Ca -0.02 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1ujd n SER 95 Cb 0.06 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 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 -1.18 0.00 -1.64 -1.46 6.02 -1.26 -4.79 117.38 113.07 1ujd n GLN 96 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.84 1ujd n GLN 96 Cb 0.59 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.74 1ujd n GLN 96 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1ujd s GLN 97 N 0.00 1.33 0.76 -1.09 2.00 -1.14 -4.89 119.66 116.63 1ujd s GLN 97 Ca 0.00 -0.37 -0.12 0.00 -2.00 0.00 0.00 55.36 52.87 1ujd s GLN 97 Cb 0.00 -4.98 0.05 0.00 0.80 0.00 0.00 33.01 28.88 1ujd s GLN 97 CO 0.00 -5.26 1.12 -1.12 -0.50 0.00 0.00 175.29 169.53 1ujd s SER 98 N 8.67 4.92 0.06 6.67 0.01 -1.26 -4.91 113.70 127.86 1ujd s SER 98 Ca 0.82 1.05 0.00 0.00 1.31 0.00 0.00 55.95 59.12 1ujd s SER 98 Cb -0.06 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.44 1ujd s SER 98 CO 0.16 -1.67 0.00 0.61 0.41 0.00 0.00 173.24 172.75 1ujd n GLY 99 N -2.91 -1.91 3.26 3.44 0.00 -1.26 -4.90 105.19 100.90 1ujd n GLY 99 Ca 0.07 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 1ujd n GLY 99 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ujd n GLU 100 N -0.10 -1.70 -3.63 1.61 0.28 -1.26 -4.82 120.64 111.02 1ujd n GLU 100 Ca 0.00 -0.48 -0.03 0.00 -0.16 0.00 0.00 57.16 56.49 1ujd n GLU 100 Cb 0.00 -1.69 -0.03 0.00 1.43 0.00 0.00 31.44 31.16 1ujd n GLU 100 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ujd s ALA 101 N -2.22 -2.14 0.16 -1.84 0.00 0.13 -4.98 121.76 110.88 1ujd s ALA 101 Ca 0.55 1.83 -0.05 0.00 0.00 0.00 0.00 51.96 54.29 1ujd s ALA 101 Cb -0.11 -0.67 -0.06 0.00 0.00 0.00 0.00 23.12 22.29 1ujd s ALA 101 CO 0.65 -0.46 0.40 -2.00 0.00 0.00 0.00 175.76 174.35 1ujd s GLU 102 N -1.81 3.63 0.03 0.00 2.12 -1.26 0.11 118.70 121.51 1ujd s GLU 102 Ca 0.10 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.36 1ujd s GLU 102 Cb -0.01 -2.82 -0.02 0.00 0.26 0.00 0.00 34.13 31.54 1ujd s GLU 102 CO -0.04 0.43 -0.04 -1.50 -0.54 0.00 0.00 175.26 173.57 1ujd s ILE 103 N -1.72 0.18 -0.27 -3.70 1.10 -1.20 0.16 121.20 115.76 1ujd s ILE 103 Ca 0.42 -1.00 -0.02 0.00 -0.51 0.00 0.00 60.65 59.53 1ujd s ILE 103 Cb -0.12 -0.40 0.09 0.00 0.15 0.00 0.00 42.46 42.18 1ujd s ILE 103 CO 0.25 -0.52 0.09 0.00 -2.11 0.00 0.00 174.94 172.65 1ujd s VAL 105 N 1.81 2.16 0.01 0.00 -7.23 -1.26 -0.14 120.40 115.75 1ujd s VAL 105 Ca 0.07 -1.78 -0.27 0.00 -1.81 0.00 0.00 61.98 58.19 1ujd s VAL 105 Cb -0.17 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 1ujd s VAL 105 CO -0.24 0.01 0.83 -0.60 -0.31 0.00 0.00 175.10 174.79 1ujd s ARG 106 N -2.18 4.52 0.05 4.82 3.52 -1.05 -2.77 118.95 125.86 1ujd s ARG 106 Ca 0.14 1.16 -0.33 0.00 -0.13 0.00 0.00 55.73 56.56 1ujd s ARG 106 Cb -0.09 -3.41 -0.19 0.00 -1.56 0.00 0.00 34.95 29.69 1ujd s ARG 106 CO 0.06 0.12 1.47 -0.07 -0.81 0.00 0.00 175.30 176.08 1ujd h LEU 107 N 6.26 -0.93-10.13 -0.88 3.38 -0.18 -3.43 115.31 109.41 1ujd h LEU 107 Ca -0.42 0.02 -0.46 0.00 0.09 0.00 0.00 57.88 57.10 1ujd h LEU 107 Cb 1.21 0.24 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 1ujd h LEU 107 CO 0.73 -0.62 0.31 -1.81 0.09 0.00 0.00 178.44 177.14 1ujd s ASP 108 N -4.27 6.74 0.00 -0.43 1.11 -1.22 -4.88 116.67 113.72 1ujd s ASP 108 Ca -0.18 1.54 0.00 0.00 0.18 0.00 0.00 52.55 54.09 1ujd s ASP 108 Cb 0.02 -2.49 0.00 0.00 1.07 0.00 0.00 42.92 41.53 1ujd s ASP 108 CO 0.57 -0.45 0.00 -0.11 1.18 0.00 0.00 175.17 176.36 1ujd n LEU 109 N -1.10 -0.76 -3.82 1.23 7.94 -1.26 -4.95 117.00 114.27 1ujd n LEU 109 Ca 0.06 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.84 1ujd n LEU 109 Cb 0.54 0.63 -0.10 0.00 0.53 0.00 0.00 43.42 45.02 1ujd n LEU 109 CO 0.43 0.00 -0.11 0.20 -1.11 0.00 0.00 177.39 176.80 1ujd s ASN 110 N -1.13 -0.11 -0.61 1.96 -0.87 -1.26 -4.62 114.94 108.30 1ujd s ASN 110 Ca 0.00 0.08 -0.16 0.00 -1.57 0.00 0.00 52.86 51.20 1ujd s ASN 110 Cb 0.00 0.31 0.14 0.00 -0.02 0.00 0.00 41.25 41.69 1ujd s ASN 110 CO 0.00 -0.30 0.59 -0.04 -2.57 0.00 0.00 177.10 174.79 1ujd s MET 111 N -0.89 3.13 -0.14 -0.60 -1.94 0.16 -4.91 119.30 114.10 1ujd s MET 111 Ca -0.10 -1.81 -0.41 0.00 -1.71 0.00 0.00 55.69 51.67 1ujd s MET 111 Cb -0.05 -4.33 -0.18 0.00 2.01 0.00 0.00 34.83 32.27 1ujd s MET 111 CO 0.02 -1.36 1.39 0.45 -0.01 0.00 0.00 175.02 175.51 1ujd n SER 112 N 5.16 1.17 -4.30 3.03 2.88 -1.26 -4.36 113.62 115.93 1ujd n SER 112 Ca -0.07 1.14 -0.16 0.00 -1.33 0.00 0.00 58.87 58.45 1ujd n SER 112 Cb 0.42 -1.03 -0.10 0.00 -0.75 0.00 0.00 64.21 62.75 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 1.48 1.54 -0.22 0.46 0.00 -1.26 -5.07 107.32 104.24 1ujd s GLY 113 Ca 0.94 -1.76 -0.29 0.00 0.00 0.00 0.00 44.72 43.61 1ujd s GLY 113 CO 0.61 -1.60 1.31 2.56 0.00 0.00 0.00 173.10 175.98 1ujd s PRO 114 N -3.94 4.07 0.17 2.90 0.04 -1.26 -5.00 135.00 131.98 1ujd s PRO 114 Ca 0.31 1.51 0.01 0.00 0.04 0.00 0.00 61.00 62.86 1ujd s PRO 114 Cb 0.07 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 1ujd s PRO 114 CO 0.09 -0.92 0.03 -1.54 0.04 0.00 0.00 177.00 174.71 1ujd s SER 115 N 2.48 0.93 0.04 6.66 1.04 -1.26 -5.05 113.70 118.54 1ujd s SER 115 Ca 0.57 -1.21 -0.28 0.00 0.48 0.00 0.00 55.95 55.50 1ujd s SER 115 Cb -0.20 0.18 0.09 0.00 0.10 0.00 0.00 66.02 66.19 1ujd s SER 115 CO 0.19 -0.64 1.04 -0.55 0.98 0.00 0.00 173.24 174.26 1ujd s SER 116 N -3.15 -0.20 0.00 7.02 0.15 -1.26 -5.32 113.70 110.94 1ujd s SER 116 Ca 0.26 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1ujd s SER 116 Cb 0.07 0.35 0.00 0.00 -1.71 0.00 0.00 66.02 64.73 1ujd s SER 116 CO 0.05 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.47