#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5d n SER 2 N 0.00 3.50 -4.55 1.61 2.88 -1.26 -4.88 113.62 110.92 1x5d n SER 2 Ca 0.00 1.17 -0.39 0.00 -1.33 0.00 0.00 58.87 58.32 1x5d n SER 2 Cb 0.00 -1.55 -0.03 0.00 -0.75 0.00 0.00 64.21 61.87 1x5d n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x5d s SER 3 N 0.22 5.65 0.28 -3.46 0.01 -1.26 -4.86 113.70 110.28 1x5d s SER 3 Ca 0.61 -0.11 0.01 0.00 1.31 0.00 0.00 55.95 57.77 1x5d s SER 3 Cb -0.53 -2.54 0.65 0.00 0.21 0.00 0.00 66.02 63.81 1x5d s SER 3 CO 0.54 -2.16 1.66 1.23 0.41 0.00 0.00 173.24 174.92 1x5d h GLY 4 N 15.07 1.30 -6.42 3.44 0.00 -1.93 -3.45 103.07 111.09 1x5d h GLY 4 Ca -0.22 -0.05 -0.49 0.00 0.00 0.00 0.00 47.33 46.56 1x5d h GLY 4 CO 1.25 -0.31 -0.81 1.44 0.00 0.00 0.00 176.54 178.11 1x5d n SER 5 N -5.18 -3.01 0.00 0.19 7.64 -1.26 -4.84 113.62 107.15 1x5d n SER 5 Ca 0.20 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 59.19 1x5d n SER 5 Cb 0.62 -3.46 0.00 0.00 -1.01 0.00 0.00 64.21 60.36 1x5d n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5d n SER 6 N -2.85 1.00 0.00 6.43 3.41 -1.26 -5.12 113.62 115.22 1x5d n SER 6 Ca -0.07 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.37 1x5d n SER 6 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1x5d n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5d n GLY 7 N -0.09 0.41 0.36 5.00 0.00 -1.26 -4.03 105.19 105.58 1x5d n GLY 7 Ca 0.00 -1.43 0.17 0.00 0.00 0.00 0.00 46.02 44.77 1x5d n GLY 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x5d h ASP 8 N 3.48 0.00 -2.97 1.61 5.19 -1.96 -3.40 116.42 118.36 1x5d h ASP 8 Ca 0.00 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.87 1x5d h ASP 8 Cb 0.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 1x5d h ASP 8 CO 0.00 0.00 0.77 -0.69 -3.12 0.00 0.00 179.24 176.20 1x5d s VAL 9 N -4.31 3.59 -0.11 -1.35 1.01 -1.26 -4.77 120.40 113.20 1x5d s VAL 9 Ca -0.04 1.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.97 1x5d s VAL 9 Cb 0.11 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1x5d s VAL 9 CO 0.38 0.04 0.05 -0.63 0.00 0.00 0.00 175.10 174.95 1x5d s ILE 10 N 1.80 4.76 -0.16 2.22 1.01 -1.18 -4.52 121.20 125.12 1x5d s ILE 10 Ca 0.64 -0.07 -0.10 0.00 0.00 0.00 0.00 60.65 61.12 1x5d s ILE 10 Cb -0.33 -3.05 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 1x5d s ILE 10 CO 0.28 0.59 0.17 -0.70 0.00 0.00 0.00 174.94 175.28 1x5d s GLU 11 N -0.72 3.96 0.46 2.79 2.12 -1.26 -0.86 118.70 125.18 1x5d s GLU 11 Ca 0.12 -0.11 0.03 0.00 0.36 0.00 0.00 54.97 55.36 1x5d s GLU 11 Cb -0.12 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 1x5d s GLU 11 CO 0.03 0.46 0.04 -0.51 -0.54 0.00 0.00 175.26 174.73 1x5d s LEU 12 N -0.12 2.27 0.00 2.70 1.43 -1.12 -4.98 118.68 118.86 1x5d s LEU 12 Ca 0.12 -1.62 0.03 0.00 -1.03 0.00 0.00 54.13 51.63 1x5d s LEU 12 Cb -0.12 -0.56 -0.01 0.00 0.03 0.00 0.00 46.19 45.53 1x5d s LEU 12 CO 0.02 -0.82 0.09 0.35 0.23 0.00 0.00 176.35 176.22 1x5d n THR 13 N -1.11 0.00 0.30 5.49 -2.24 -1.26 -4.77 114.28 110.70 1x5d n THR 13 Ca -0.13 -1.40 0.16 0.00 -2.27 0.00 0.00 64.05 60.40 1x5d n THR 13 Cb 0.66 0.52 0.75 0.00 -2.10 0.00 0.00 70.33 70.16 1x5d n THR 13 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1x5d h ASP 14 N 0.97 0.00 0.00 3.42 3.04 -1.98 0.05 116.42 121.92 1x5d h ASP 14 Ca -0.18 0.00 -0.26 0.00 -3.24 0.00 0.00 57.03 53.34 1x5d h ASP 14 Cb 0.72 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.97 1x5d h ASP 14 CO 0.29 0.00 -1.88 0.47 -2.04 0.00 0.00 179.24 176.08 1x5d n ASP 15 N -2.71 1.11 -0.24 4.15 8.00 -1.26 -4.64 116.55 120.95 1x5d n ASP 15 Ca -0.00 0.19 -0.02 0.00 0.71 0.00 0.00 54.79 55.67 1x5d n ASP 15 Cb 0.18 -0.46 0.17 0.00 -0.02 0.00 0.00 41.12 40.99 1x5d n ASP 15 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1x5d h SER 16 N -0.56 0.94 -0.97 -2.24 0.02 -1.94 -2.65 113.55 106.15 1x5d h SER 16 Ca -0.40 -0.09 0.40 0.00 -0.84 0.00 0.00 61.79 60.86 1x5d h SER 16 Cb 1.35 -0.24 -0.16 0.00 0.14 0.00 0.00 62.40 63.49 1x5d h SER 16 CO -0.24 0.78 0.54 0.33 -1.14 0.00 0.00 176.83 177.09 1x5d n PHE 17 N -4.34 1.04 -0.02 3.45 -0.00 0.00 0.93 117.46 118.52 1x5d n PHE 17 Ca 0.07 1.04 -0.15 0.00 -0.00 0.00 0.00 57.45 58.41 1x5d n PHE 17 Cb 0.12 -1.45 -0.14 0.00 -0.00 0.00 0.00 39.48 38.00 1x5d n PHE 17 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1x5d n ASP 18 N -5.03 1.51 0.13 -2.13 5.68 -1.03 -2.48 116.55 113.19 1x5d n ASP 18 Ca 0.35 0.26 0.11 0.00 -0.50 0.00 0.00 54.79 55.01 1x5d n ASP 18 Cb 1.22 -0.42 0.50 0.00 -1.14 0.00 0.00 41.12 41.28 1x5d n ASP 18 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1x5d n LYS 19 N -3.26 0.17 -0.08 0.11 4.76 0.23 0.43 118.16 120.53 1x5d n LYS 19 Ca -0.27 0.46 -0.10 0.00 -2.87 0.00 0.00 58.31 55.54 1x5d n LYS 19 Cb 1.05 -1.87 -0.10 0.00 -1.84 0.00 0.00 35.03 32.27 1x5d n LYS 19 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1x5d n ASN 20 N -2.20 2.02 -0.08 4.39 3.02 0.27 -3.97 115.26 118.70 1x5d n ASN 20 Ca 0.01 -0.05 -0.12 0.00 -0.03 0.00 0.00 54.58 54.40 1x5d n ASN 20 Cb 0.18 0.30 -0.06 0.00 -0.61 0.00 0.00 39.78 39.58 1x5d n ASN 20 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1x5d h VAL 21 N 0.00 0.55 -0.50 2.41 2.07 -1.32 -3.26 116.25 116.20 1x5d h VAL 21 Ca -0.40 -1.60 -0.10 0.00 0.82 0.00 0.00 66.70 65.43 1x5d h VAL 21 Cb 1.76 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.73 1x5d h VAL 21 CO -0.02 0.19 -0.07 -0.07 0.02 0.00 0.00 177.57 177.62 1x5d h LEU 22 N -1.00 0.88 0.00 2.57 3.38 -0.23 -1.96 115.31 118.94 1x5d h LEU 22 Ca -0.13 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1x5d h LEU 22 Cb 0.79 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1x5d h LEU 22 CO -0.08 0.98 0.00 -0.67 0.09 0.00 0.00 178.44 178.76 1x5d n ASP 23 N -4.17 0.00 -3.87 -0.43 2.03 -0.96 -4.56 116.55 104.60 1x5d n ASP 23 Ca 0.02 -1.07 -0.28 0.00 0.52 0.00 0.00 54.79 53.98 1x5d n ASP 23 Cb 0.36 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.60 1x5d n ASP 23 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1x5d s SER 24 N -1.74 2.70 0.53 1.67 0.15 -0.74 -4.96 113.70 111.32 1x5d s SER 24 Ca 0.26 -0.61 0.36 0.00 0.70 0.00 0.00 55.95 56.66 1x5d s SER 24 Cb 0.12 -0.84 1.88 0.00 -1.71 0.00 0.00 66.02 65.47 1x5d s SER 24 CO 0.20 -0.19 2.09 -0.33 1.20 0.00 0.00 173.24 176.21 1x5d h GLU 25 N 8.15 0.00 -7.26 5.44 4.39 -1.80 -3.43 114.58 120.06 1x5d h GLU 25 Ca -0.23 0.00 -0.51 0.00 0.34 0.00 0.00 59.36 58.96 1x5d h GLU 25 Cb 1.11 0.00 0.10 0.00 -0.10 0.00 0.00 28.75 29.86 1x5d h GLU 25 CO 0.38 0.00 0.36 -0.51 -1.16 0.00 0.00 179.01 178.08 1x5d s ASP 26 N -4.83 5.21 0.26 1.42 1.11 -1.26 -4.44 116.67 114.14 1x5d s ASP 26 Ca -0.03 1.80 -0.30 0.00 0.18 0.00 0.00 52.55 54.21 1x5d s ASP 26 Cb 0.10 -2.52 -0.09 0.00 1.07 0.00 0.00 42.92 41.48 1x5d s ASP 26 CO 0.36 -1.56 1.12 -0.69 1.18 0.00 0.00 175.17 175.58 1x5d s VAL 27 N -2.70 3.50 -0.19 -1.27 1.01 -1.26 -4.73 120.40 114.76 1x5d s VAL 27 Ca 0.62 1.46 0.00 0.00 0.00 0.00 0.00 61.98 64.06 1x5d s VAL 27 Cb -0.17 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.33 1x5d s VAL 27 CO 0.48 0.32 -0.07 0.26 0.00 0.00 0.00 175.10 176.09 1x5d s TRP 28 N -0.94 2.10 -0.58 5.22 0.52 -1.18 -1.36 118.94 122.72 1x5d s TRP 28 Ca 0.46 -1.40 -0.21 0.00 0.02 0.00 0.00 56.10 54.98 1x5d s TRP 28 Cb -0.32 -1.49 0.07 0.00 -1.15 0.00 0.00 33.47 30.58 1x5d s TRP 28 CO 0.40 -0.69 0.80 -1.64 0.02 0.00 0.00 176.95 175.84 1x5d s MET 29 N 1.50 3.13 -0.10 4.98 -1.94 0.20 -3.08 119.30 123.99 1x5d s MET 29 Ca -0.01 -0.88 -0.18 0.00 -1.71 0.00 0.00 55.69 52.91 1x5d s MET 29 Cb -0.16 -4.18 -0.04 0.00 2.01 0.00 0.00 34.83 32.46 1x5d s MET 29 CO -0.08 -1.54 0.46 0.08 -0.01 0.00 0.00 175.02 173.93 1x5d s VAL 30 N 3.31 5.17 -0.45 -6.03 1.01 -0.88 -0.61 120.40 121.92 1x5d s VAL 30 Ca 0.19 0.92 0.03 0.00 0.00 0.00 0.00 61.98 63.12 1x5d s VAL 30 Cb -0.19 -3.80 0.13 0.00 0.00 0.00 0.00 36.38 32.53 1x5d s VAL 30 CO 0.11 0.36 0.22 -0.70 0.00 0.00 0.00 175.10 175.10 1x5d s GLU 31 N 0.38 1.52 0.10 2.72 -6.30 -0.95 -0.28 118.70 115.88 1x5d s GLU 31 Ca 0.25 -2.16 -0.31 0.00 -2.50 0.00 0.00 54.97 50.25 1x5d s GLU 31 Cb -0.15 -2.74 -0.10 0.00 0.00 0.00 0.00 34.13 31.14 1x5d s GLU 31 CO 0.10 -1.11 1.87 1.19 0.02 0.00 0.00 175.26 177.33 1x5d n PHE 32 N 3.52 2.60 -4.35 5.30 3.01 0.18 -3.59 117.46 124.12 1x5d n PHE 32 Ca 0.06 -0.20 -0.19 0.00 1.01 0.00 0.00 57.45 58.13 1x5d n PHE 32 Cb 0.35 -2.75 -0.09 0.00 -0.01 0.00 0.00 39.48 36.97 1x5d n PHE 32 CO 0.00 0.00 0.00 1.52 1.01 0.00 0.00 176.76 179.29 1x5d s TYR 33 N 3.14 1.62 -0.05 1.38 -0.85 -0.10 0.84 117.35 123.32 1x5d s TYR 33 Ca 0.84 -1.32 0.05 0.00 -0.52 0.00 0.00 57.07 56.12 1x5d s TYR 33 Cb -0.47 -0.91 -0.01 0.00 0.38 0.00 0.00 41.96 40.96 1x5d s TYR 33 CO 0.38 -0.45 -0.21 0.00 -1.52 0.00 0.00 175.55 173.75 1x5d s ALA 34 N -3.58 1.85 -1.39 9.51 0.00 -1.26 -2.83 121.76 124.05 1x5d s ALA 34 Ca 0.35 -0.87 0.15 0.00 0.00 0.00 0.00 51.96 51.58 1x5d s ALA 34 Cb 0.05 -0.59 0.73 0.00 0.00 0.00 0.00 23.12 23.31 1x5d s ALA 34 CO 0.17 0.35 1.41 -0.35 0.00 0.00 0.00 175.76 177.33 1x5d n PRO 35 N 3.04 0.19 0.00 0.00 -0.04 -1.26 -2.22 135.00 134.71 1x5d n PRO 35 Ca -0.18 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1x5d n PRO 35 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1x5d n PRO 35 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x5d n TRP 36 N -1.30 0.00 -3.22 0.54 4.27 -1.26 -5.02 117.44 111.44 1x5d n TRP 36 Ca 0.07 -0.07 -0.40 0.00 -3.89 0.00 0.00 57.50 53.21 1x5d n TRP 36 Cb 0.12 -0.01 -0.07 0.00 -1.36 0.00 0.00 31.31 29.99 1x5d n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5d h GLY 38 N 8.38 -1.11 -0.78 0.00 0.00 -1.95 -2.54 103.07 105.07 1x5d h GLY 38 Ca -0.31 0.51 0.22 0.00 0.00 0.00 0.00 47.33 47.75 1x5d h GLY 38 CO 0.73 -0.36 0.04 1.42 0.00 0.00 0.00 176.54 178.37 1x5d n HIS 39 N -5.54 0.52 0.21 5.60 8.25 -1.26 0.72 115.22 123.72 1x5d n HIS 39 Ca -0.12 0.94 -0.15 0.00 -0.26 0.00 0.00 57.72 58.13 1x5d n HIS 39 Cb 0.44 -1.10 -0.08 0.00 1.12 0.00 0.00 29.99 30.37 1x5d n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x5d h LYS 41 N -0.64 0.19 0.00 0.00 1.79 0.61 1.60 116.57 120.12 1x5d h LYS 41 Ca -0.05 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.24 1x5d h LYS 41 Cb 0.46 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 1x5d h LYS 41 CO 0.08 0.12 -0.80 -0.91 -1.08 0.00 0.00 179.45 176.86 1x5d h ASN 42 N 0.19 0.01 1.58 0.86 4.21 -1.11 -3.15 115.58 118.18 1x5d h ASN 42 Ca 0.76 -0.01 -0.07 0.00 1.21 0.00 0.00 56.30 58.20 1x5d h ASN 42 Cb 2.13 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 39.32 1x5d h ASN 42 CO -0.47 0.81 -0.43 0.25 -1.29 0.00 0.00 177.43 176.29 1x5d h LEU 43 N 0.00 0.00 -0.78 1.61 5.85 0.26 -3.36 115.31 118.89 1x5d h LEU 43 Ca -0.01 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.78 1x5d h LEU 43 Cb 1.42 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.35 1x5d h LEU 43 CO 0.11 0.31 -0.45 1.21 -0.34 0.00 0.00 178.44 179.27 1x5d n GLU 44 N -3.13 -0.33 -0.07 1.25 4.07 0.16 0.52 120.64 123.11 1x5d n GLU 44 Ca 0.02 1.18 -0.13 0.00 -0.06 0.00 0.00 57.16 58.17 1x5d n GLU 44 Cb 0.66 -1.74 -0.06 0.00 -0.06 0.00 0.00 31.44 30.24 1x5d n GLU 44 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1x5d h PRO 45 N 0.00 0.46 -0.43 5.31 0.13 -1.78 -0.93 132.00 134.75 1x5d h PRO 45 Ca 0.13 -0.24 0.13 0.00 -0.87 0.00 0.00 66.00 65.15 1x5d h PRO 45 Cb 0.33 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.45 1x5d h PRO 45 CO -0.74 0.81 0.35 0.93 -0.23 0.00 0.00 178.00 179.12 1x5d h GLU 46 N 0.12 0.00 0.11 0.86 3.07 -1.07 -1.24 114.58 116.43 1x5d h GLU 46 Ca 0.03 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.54 1x5d h GLU 46 Cb 0.73 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.62 1x5d h GLU 46 CO 0.05 0.00 -1.93 2.35 -1.40 0.00 0.00 179.01 178.08 1x5d h TRP 47 N 0.00 0.44 -0.58 4.33 2.91 0.17 -2.81 115.95 120.41 1x5d h TRP 47 Ca 0.21 -0.32 0.06 0.00 1.13 0.00 0.00 58.89 59.96 1x5d h TRP 47 Cb 0.89 -0.02 -0.05 0.00 -0.51 0.00 0.00 29.16 29.47 1x5d h TRP 47 CO 0.00 1.66 0.29 0.00 -1.03 0.00 0.00 178.44 179.36 1x5d h ALA 48 N 0.21 0.75 0.12 2.65 0.00 -0.09 -2.40 119.26 120.50 1x5d h ALA 48 Ca -0.39 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1x5d h ALA 48 Cb 2.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1x5d h ALA 48 CO 0.10 -0.06 -0.06 0.00 0.00 0.00 0.00 179.25 179.23 1x5d h ALA 49 N 1.32 -0.16 -0.79 0.00 0.00 -1.44 -3.22 119.26 114.97 1x5d h ALA 49 Ca 0.26 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1x5d h ALA 49 Cb 0.19 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 17.91 1x5d h ALA 49 CO -0.19 -0.40 -0.40 0.00 0.00 0.00 0.00 179.25 178.26 1x5d h ALA 50 N 0.28 -0.06 -0.62 0.00 0.00 -1.52 0.36 119.26 117.69 1x5d h ALA 50 Ca -0.02 0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.21 1x5d h ALA 50 Cb 0.43 0.97 -0.12 0.00 0.00 0.00 0.00 17.79 19.07 1x5d h ALA 50 CO 0.03 -0.71 -0.20 0.00 0.00 0.00 0.00 179.25 178.37 1x5d h ALA 51 N 1.03 0.32 -0.43 0.00 0.00 -1.47 1.28 119.26 119.98 1x5d h ALA 51 Ca 0.26 0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.30 1x5d h ALA 51 Cb 0.56 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1x5d h ALA 51 CO -0.83 -0.48 -0.13 1.03 0.00 0.00 0.00 179.25 178.83 1x5d h SER 52 N -0.04 0.79 1.19 0.00 0.87 -0.83 0.10 113.55 115.63 1x5d h SER 52 Ca 0.29 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1x5d h SER 52 Cb 0.49 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1x5d h SER 52 CO -0.66 0.93 0.00 1.21 -0.53 0.00 0.00 176.83 177.78 1x5d n GLU 53 N -4.15 0.21 -0.07 2.24 2.13 0.99 -2.43 120.64 119.55 1x5d n GLU 53 Ca 0.01 0.25 -0.22 0.00 0.66 0.00 0.00 57.16 57.86 1x5d n GLU 53 Cb 0.38 -1.78 -0.12 0.00 0.27 0.00 0.00 31.44 30.19 1x5d n GLU 53 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1x5d n VAL 54 N -2.14 1.62 0.34 6.31 0.31 0.41 -3.60 118.33 121.58 1x5d n VAL 54 Ca 0.05 -0.45 0.15 0.00 -0.01 0.00 0.00 64.34 64.08 1x5d n VAL 54 Cb 0.36 -1.76 0.58 0.00 -0.91 0.00 0.00 33.84 32.11 1x5d n VAL 54 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1x5d h LYS 55 N -0.36 0.00 0.03 5.55 2.10 -0.87 0.29 116.57 123.31 1x5d h LYS 55 Ca -0.49 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 57.89 1x5d h LYS 55 Cb 1.77 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.07 1x5d h LYS 55 CO -0.10 0.00 -1.49 1.05 -2.00 0.00 0.00 179.45 176.91 1x5d h GLU 56 N 0.00 0.07 0.10 0.07 4.11 -1.64 0.68 114.58 117.96 1x5d h GLU 56 Ca 0.00 -0.11 -0.36 0.00 0.07 0.00 0.00 59.36 58.96 1x5d h GLU 56 Cb 0.46 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1x5d h GLU 56 CO 0.00 0.80 -2.00 1.04 0.07 0.00 0.00 179.01 178.92 1x5d n GLN 57 N -3.24 0.74 -0.07 1.06 6.02 -1.06 -3.99 117.38 116.84 1x5d n GLN 57 Ca -0.13 0.26 0.01 0.00 -0.01 0.00 0.00 57.00 57.13 1x5d n GLN 57 Cb 1.02 -1.71 0.04 0.00 1.02 0.00 0.00 30.24 30.61 1x5d n GLN 57 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1x5d n THR 58 N -3.42 0.20 -2.01 5.09 -2.24 0.10 -4.83 114.28 107.17 1x5d n THR 58 Ca -0.31 -0.12 -0.18 0.00 -2.27 0.00 0.00 64.05 61.17 1x5d n THR 58 Cb 1.05 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 1x5d n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x5d n LYS 59 N -0.08 -1.66 -0.92 -0.78 4.76 -1.22 -0.32 118.16 117.93 1x5d n LYS 59 Ca 0.03 0.94 0.00 0.00 -2.87 0.00 0.00 58.31 56.41 1x5d n LYS 59 Cb 0.23 -5.44 0.00 0.00 -1.84 0.00 0.00 35.03 27.98 1x5d n LYS 59 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x5d n GLY 60 N -0.66 0.45 0.02 0.72 0.00 0.24 -4.98 105.19 100.97 1x5d n GLY 60 Ca -0.19 -0.88 -0.00 0.00 0.00 0.00 0.00 46.02 44.94 1x5d n GLY 60 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x5d h LYS 61 N 0.16 0.00 -6.23 1.61 1.63 -0.92 -3.45 116.57 109.37 1x5d h LYS 61 Ca 0.00 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 59.24 1x5d h LYS 61 Cb 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 1x5d h LYS 61 CO 0.00 0.00 0.98 0.08 -3.45 0.00 0.00 179.45 177.06 1x5d s VAL 62 N -1.24 4.06 0.19 2.00 1.01 -1.26 -4.14 120.40 121.02 1x5d s VAL 62 Ca -0.01 1.25 0.05 0.00 0.00 0.00 0.00 61.98 63.26 1x5d s VAL 62 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 1x5d s VAL 62 CO 0.02 -0.23 0.24 -0.54 0.00 0.00 0.00 175.10 174.59 1x5d s LYS 63 N 3.91 3.16 -0.14 2.72 1.02 -0.46 -4.13 119.74 125.82 1x5d s LYS 63 Ca 0.60 -0.81 0.00 0.00 0.02 0.00 0.00 55.97 55.78 1x5d s LYS 63 Cb -0.23 -2.76 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 1x5d s LYS 63 CO 0.21 0.46 -0.13 -0.51 -0.92 0.00 0.00 175.35 174.47 1x5d s LEU 64 N -3.48 1.56 0.43 3.17 1.02 -1.26 -0.62 118.68 119.49 1x5d s LEU 64 Ca 0.33 -0.44 0.03 0.00 0.02 0.00 0.00 54.13 54.08 1x5d s LEU 64 Cb -0.10 -1.09 -0.04 0.00 0.02 0.00 0.00 46.19 44.98 1x5d s LEU 64 CO 0.26 -0.07 0.05 0.00 0.02 0.00 0.00 176.35 176.62 1x5d s ALA 65 N 1.52 3.26 0.13 4.21 0.00 0.22 -3.13 121.76 127.97 1x5d s ALA 65 Ca 0.04 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1x5d s ALA 65 Cb -0.13 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 1x5d s ALA 65 CO -0.10 -0.19 0.01 0.00 0.00 0.00 0.00 175.76 175.48 1x5d s ALA 66 N -3.03 1.02 -0.07 0.00 0.00 -0.04 -2.25 121.76 117.39 1x5d s ALA 66 Ca 0.22 -1.46 -0.24 0.00 0.00 0.00 0.00 51.96 50.48 1x5d s ALA 66 Cb 0.05 0.56 0.05 0.00 0.00 0.00 0.00 23.12 23.78 1x5d s ALA 66 CO 0.11 -0.37 0.54 0.08 0.00 0.00 0.00 175.76 176.12 1x5d s VAL 67 N -3.82 0.02 -0.72 0.00 1.01 -1.24 -2.78 120.40 112.87 1x5d s VAL 67 Ca 0.20 -0.16 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 1x5d s VAL 67 Cb 0.07 -0.83 0.06 0.00 0.00 0.00 0.00 36.38 35.68 1x5d s VAL 67 CO 0.00 -0.09 1.10 1.51 0.00 0.00 0.00 175.10 177.62 1x5d s ASP 68 N -0.96 6.22 0.61 3.32 1.47 -1.26 -0.93 116.67 125.14 1x5d s ASP 68 Ca -0.10 -0.94 0.41 0.00 1.18 0.00 0.00 52.55 53.10 1x5d s ASP 68 Cb -0.02 -2.47 2.19 0.00 -0.34 0.00 0.00 42.92 42.28 1x5d s ASP 68 CO 0.06 -1.53 2.24 0.00 0.68 0.00 0.00 175.17 176.62 1x5d h ALA 69 N 9.66 1.00 0.00 2.11 0.00 -1.81 0.55 119.26 130.77 1x5d h ALA 69 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1x5d h ALA 69 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1x5d h ALA 69 CO 1.22 0.00 -0.57 0.00 0.00 0.00 0.00 179.25 179.90 1x5d h THR 70 N 0.00 0.00 0.00 0.00 1.03 -1.89 -3.35 112.91 108.70 1x5d h THR 70 Ca 0.00 -0.85 -0.14 0.00 -0.01 0.00 0.00 66.41 65.40 1x5d h THR 70 Cb 0.02 1.55 -0.03 0.00 -1.07 0.00 0.00 68.15 68.62 1x5d h THR 70 CO 0.00 0.00 -1.83 0.52 -0.01 0.00 0.00 175.52 174.20 1x5d n VAL 71 N -2.65 0.53 -3.25 0.00 0.31 0.22 -4.90 118.33 108.60 1x5d n VAL 71 Ca 0.02 -0.48 -0.42 0.00 -0.01 0.00 0.00 64.34 63.45 1x5d n VAL 71 Cb 0.51 -0.29 -0.08 0.00 -0.91 0.00 0.00 33.84 33.07 1x5d n VAL 71 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1x5d s ASN 72 N -4.27 6.26 -0.10 4.52 0.01 0.17 -4.89 114.94 116.64 1x5d s ASN 72 Ca -0.06 -0.39 0.17 0.00 -0.71 0.00 0.00 52.86 51.87 1x5d s ASN 72 Cb 0.06 -2.26 -0.25 0.00 0.41 0.00 0.00 41.25 39.22 1x5d s ASN 72 CO 0.59 -0.58 0.23 0.00 -1.51 0.00 0.00 177.10 175.83 1x5d n GLN 73 N 5.78 0.89 -0.04 -0.60 1.13 -1.26 -3.37 117.38 119.90 1x5d n GLN 73 Ca -0.05 -0.09 -0.05 0.00 -1.94 0.00 0.00 57.00 54.87 1x5d n GLN 73 Cb 0.48 -1.43 0.17 0.00 0.11 0.00 0.00 30.24 29.56 1x5d n GLN 73 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1x5d h VAL 74 N 0.00 1.26 0.00 5.09 2.07 -1.91 -1.92 116.25 120.85 1x5d h VAL 74 Ca -0.23 -1.19 -0.26 0.00 0.82 0.00 0.00 66.70 65.85 1x5d h VAL 74 Cb 1.43 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 1x5d h VAL 74 CO 0.01 0.39 -1.47 0.18 0.02 0.00 0.00 177.57 176.71 1x5d n LEU 75 N -4.15 1.88 -0.08 2.57 4.77 -1.26 -3.41 117.00 117.30 1x5d n LEU 75 Ca 0.01 0.42 0.25 0.00 -0.03 0.00 0.00 56.01 56.65 1x5d n LEU 75 Cb 0.38 -0.92 0.71 0.00 -2.33 0.00 0.00 43.42 41.26 1x5d n LEU 75 CO 0.42 0.27 1.22 0.00 -1.33 0.00 0.00 177.39 177.98 1x5d h ALA 76 N -0.65 2.65 0.00 -1.18 0.00 -1.65 0.42 119.26 118.84 1x5d h ALA 76 Ca -0.39 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1x5d h ALA 76 Cb 1.30 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1x5d h ALA 76 CO -0.24 -0.89 -0.86 1.03 0.00 0.00 0.00 179.25 178.29 1x5d h SER 77 N 0.00 0.00 0.32 0.00 0.87 -1.51 1.15 113.55 114.38 1x5d h SER 77 Ca 0.34 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.67 1x5d h SER 77 Cb 1.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1x5d h SER 77 CO -0.00 0.48 -0.93 -0.09 -0.53 0.00 0.00 176.83 175.76 1x5d h ARG 78 N 0.00 0.42 0.00 2.24 2.43 -0.25 -3.34 114.38 115.89 1x5d h ARG 78 Ca -0.06 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1x5d h ARG 78 Cb 1.42 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 1x5d h ARG 78 CO 0.05 1.10 -1.15 0.66 -1.51 0.00 0.00 179.97 179.13 1x5d n TYR 79 N -3.75 0.00 -1.66 2.20 4.01 -0.43 -5.07 117.16 112.46 1x5d n TYR 79 Ca -0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.67 1x5d n TYR 79 Cb 0.83 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 1x5d n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x5d n GLY 80 N 1.72 -0.65 3.39 2.72 0.00 0.36 -5.04 105.19 107.69 1x5d n GLY 80 Ca -0.01 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1x5d n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5d s ILE 81 N -1.71 4.22 0.00 -0.61 -1.09 0.80 -4.88 121.20 117.93 1x5d s ILE 81 Ca 0.02 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 1x5d s ILE 81 Cb -0.01 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.74 1x5d s ILE 81 CO 0.08 0.12 0.00 -2.11 -1.23 0.00 0.00 174.94 171.80 1x5d n ARG 82 N 4.91 2.40 -3.91 2.79 1.85 -1.26 -4.91 116.66 118.53 1x5d n ARG 82 Ca -0.15 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.35 1x5d n ARG 82 Cb 0.49 -0.81 -0.14 0.00 -1.05 0.00 0.00 32.46 30.95 1x5d n ARG 82 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1x5d s GLY 83 N -1.85 1.61 0.20 2.89 0.00 -1.26 -5.11 107.32 103.81 1x5d s GLY 83 Ca 0.00 -1.20 0.09 0.00 0.00 0.00 0.00 44.72 43.61 1x5d s GLY 83 CO 0.00 0.44 -0.08 -1.36 0.00 0.00 0.00 173.10 172.10 1x5d s PHE 84 N 1.46 2.63 0.94 1.90 0.08 -1.26 -4.15 117.98 119.58 1x5d s PHE 84 Ca 0.05 -0.23 -0.12 0.00 0.12 0.00 0.00 56.93 56.76 1x5d s PHE 84 Cb -0.14 -1.25 0.15 0.00 -0.57 0.00 0.00 43.02 41.21 1x5d s PHE 84 CO -0.03 0.55 1.09 -1.25 -0.10 0.00 0.00 175.22 175.48 1x5d s PRO 85 N -3.06 0.94 -0.22 0.24 0.04 -1.26 -4.83 135.00 126.85 1x5d s PRO 85 Ca 0.27 0.71 -0.04 0.00 0.04 0.00 0.00 61.00 61.97 1x5d s PRO 85 Cb -0.08 -1.78 0.09 0.00 0.04 0.00 0.00 34.50 32.77 1x5d s PRO 85 CO 0.16 -2.43 0.15 0.99 0.04 0.00 0.00 177.00 175.91 1x5d s THR 86 N -2.94 -0.16 -0.22 1.26 2.01 0.25 -4.94 115.64 110.88 1x5d s THR 86 Ca 0.64 -0.36 -0.16 0.00 0.31 0.00 0.00 61.69 62.12 1x5d s THR 86 Cb -0.18 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 1x5d s THR 86 CO 0.57 -0.42 0.42 -0.63 -0.69 0.00 0.00 174.62 173.87 1x5d s ILE 87 N 2.19 5.17 -0.02 1.82 1.01 -1.26 0.48 121.20 130.58 1x5d s ILE 87 Ca 0.06 0.72 0.01 0.00 0.00 0.00 0.00 60.65 61.44 1x5d s ILE 87 Cb -0.16 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.58 1x5d s ILE 87 CO -0.20 0.21 -0.04 -0.54 0.00 0.00 0.00 174.94 174.37 1x5d s LYS 88 N 1.57 0.55 0.23 2.79 -0.14 0.61 -1.52 119.74 123.84 1x5d s LYS 88 Ca 0.19 -0.10 -0.12 0.00 -1.36 0.00 0.00 55.97 54.59 1x5d s LYS 88 Cb -0.15 -0.59 -0.08 0.00 -1.68 0.00 0.00 37.83 35.33 1x5d s LYS 88 CO 0.08 -0.02 0.59 0.42 -0.76 0.00 0.00 175.35 175.67 1x5d s ILE 89 N 0.53 4.86 -0.02 2.17 1.09 -0.78 -2.07 121.20 126.98 1x5d s ILE 89 Ca -0.06 0.64 0.00 0.00 -1.10 0.00 0.00 60.65 60.14 1x5d s ILE 89 Cb -0.10 -3.64 0.02 0.00 -1.06 0.00 0.00 42.46 37.69 1x5d s ILE 89 CO -0.00 -0.04 -0.00 -0.36 -0.10 0.00 0.00 174.94 174.44 1x5d s PHE 90 N -1.79 0.27 0.03 3.97 0.40 -1.18 -2.37 117.98 117.31 1x5d s PHE 90 Ca 0.47 0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.87 1x5d s PHE 90 Cb -0.12 -0.34 -0.02 0.00 0.51 0.00 0.00 43.02 43.05 1x5d s PHE 90 CO 0.20 -0.10 -0.20 -0.65 0.70 0.00 0.00 175.22 175.17 1x5d s GLN 91 N 0.83 1.42 -0.44 0.44 -0.21 -1.26 -3.08 119.66 117.35 1x5d s GLN 91 Ca -0.08 -0.86 -0.27 0.00 0.02 0.00 0.00 55.36 54.16 1x5d s GLN 91 Cb -0.11 -1.48 -0.03 0.00 1.00 0.00 0.00 33.01 32.39 1x5d s GLN 91 CO -0.02 0.39 1.90 0.21 -2.12 0.00 0.00 175.29 175.65 1x5d s LYS 92 N -0.98 2.96 0.00 2.91 2.47 -1.26 -3.08 119.74 122.76 1x5d s LYS 92 Ca 0.07 1.17 0.00 0.00 -1.56 0.00 0.00 55.97 55.65 1x5d s LYS 92 Cb -0.08 -4.31 0.00 0.00 -1.46 0.00 0.00 37.83 31.98 1x5d s LYS 92 CO 0.01 -2.31 0.00 0.41 0.16 0.00 0.00 175.35 173.62 1x5d n GLY 93 N 5.59 2.99 3.76 5.54 0.00 -1.26 -5.04 105.19 116.77 1x5d n GLY 93 Ca 0.24 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 1x5d n GLY 93 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x5d s GLU 94 N 0.00 1.29 0.21 1.61 2.02 -1.18 -5.02 118.70 117.63 1x5d s GLU 94 Ca 0.00 0.54 -0.24 0.00 0.02 0.00 0.00 54.97 55.30 1x5d s GLU 94 Cb 0.00 -1.83 -0.08 0.00 0.10 0.00 0.00 34.13 32.31 1x5d s GLU 94 CO 0.00 -2.15 0.79 -1.54 0.02 0.00 0.00 175.26 172.38 1x5d s SER 95 N -3.76 7.28 0.56 -0.19 1.04 -1.26 -4.46 113.70 112.92 1x5d s SER 95 Ca 0.63 1.61 -0.19 0.00 0.48 0.00 0.00 55.95 58.48 1x5d s SER 95 Cb -0.16 -2.49 -0.05 0.00 0.10 0.00 0.00 66.02 63.42 1x5d s SER 95 CO 0.55 0.10 1.13 -2.16 0.98 0.00 0.00 173.24 173.84 1x5d s PRO 96 N -1.58 3.26 0.42 4.02 0.04 -1.26 -4.72 135.00 135.19 1x5d s PRO 96 Ca 0.41 1.58 0.04 0.00 0.04 0.00 0.00 61.00 63.06 1x5d s PRO 96 Cb -0.20 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1x5d s PRO 96 CO 0.24 -0.92 0.13 0.14 0.04 0.00 0.00 177.00 176.63 1x5d s VAL 97 N -1.86 0.58 -0.10 -0.36 -7.23 -1.00 -5.00 120.40 105.44 1x5d s VAL 97 Ca 0.72 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.92 1x5d s VAL 97 Cb -0.23 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 1x5d s VAL 97 CO 0.29 0.00 -0.19 1.51 -0.31 0.00 0.00 175.10 176.41 1x5d s ASP 98 N -3.64 3.57 0.00 4.85 -4.77 -1.26 -1.86 116.67 113.55 1x5d s ASP 98 Ca 0.21 -0.41 0.00 0.00 -3.30 0.00 0.00 52.55 49.05 1x5d s ASP 98 Cb 0.02 -1.31 0.00 0.00 -1.09 0.00 0.00 42.92 40.54 1x5d s ASP 98 CO 0.14 0.20 0.00 0.00 0.70 0.00 0.00 175.17 176.21 1x5d n TYR 99 N 3.27 0.00 -3.77 2.11 9.36 -0.58 -4.93 117.16 122.63 1x5d n TYR 99 Ca -0.18 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.81 1x5d n TYR 99 Cb 0.53 -0.26 0.02 0.00 -0.63 0.00 0.00 39.34 39.00 1x5d n TYR 99 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 1x5d n ASP 100 N -1.40 -1.39 0.00 2.98 2.03 -1.25 -4.99 116.55 112.53 1x5d n ASP 100 Ca 0.00 -0.89 0.00 0.00 0.52 0.00 0.00 54.79 54.42 1x5d n ASP 100 Cb 0.00 -3.71 0.00 0.00 -0.72 0.00 0.00 41.12 36.69 1x5d n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x5d n GLY 101 N -1.70 0.86 0.74 0.27 0.00 -1.26 -4.94 105.19 99.16 1x5d n GLY 101 Ca -0.28 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.56 1x5d n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5d n GLY 102 N 5.00 0.55 2.38 -0.02 0.00 -1.26 -4.94 105.19 106.90 1x5d n GLY 102 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 1x5d n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5d n ARG 103 N 0.81 -1.44 -4.78 1.61 1.74 -1.26 -4.99 116.66 108.35 1x5d n ARG 103 Ca 0.16 0.94 -0.26 0.00 -0.77 0.00 0.00 57.85 57.92 1x5d n ARG 103 Cb 0.49 -5.42 -0.16 0.00 -1.02 0.00 0.00 32.46 26.34 1x5d n ARG 103 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1x5d s THR 104 N -2.88 1.39 0.36 0.55 -4.23 -1.26 -4.84 115.64 104.73 1x5d s THR 104 Ca 0.00 -0.66 0.19 0.00 -1.18 0.00 0.00 61.69 60.04 1x5d s THR 104 Cb 0.00 -1.23 0.36 0.00 1.34 0.00 0.00 72.50 72.97 1x5d s THR 104 CO 0.00 0.41 1.58 0.08 -0.54 0.00 0.00 174.62 176.15 1x5d h ARG 105 N 6.62 0.02 -0.52 3.99 0.11 -1.86 0.88 114.38 123.61 1x5d h ARG 105 Ca -0.30 -0.00 0.08 0.00 0.10 0.00 0.00 59.98 59.87 1x5d h ARG 105 Cb 1.19 -0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.20 1x5d h ARG 105 CO 0.48 0.01 0.14 0.77 0.10 0.00 0.00 179.97 181.46 1x5d h SER 106 N 0.02 0.07 0.00 0.08 0.02 -1.95 0.86 113.55 112.64 1x5d h SER 106 Ca 0.82 0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 61.81 1x5d h SER 106 Cb 2.13 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 64.76 1x5d h SER 106 CO -0.78 0.06 -0.24 0.44 -1.14 0.00 0.00 176.83 175.18 1x5d h ASP 107 N 0.28 0.00 -0.96 3.07 3.32 0.14 -3.01 116.42 119.26 1x5d h ASP 107 Ca 0.26 -0.80 0.26 0.00 0.02 0.00 0.00 57.03 56.78 1x5d h ASP 107 Cb 0.33 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.75 1x5d h ASP 107 CO -0.31 1.04 0.49 0.40 -1.72 0.00 0.00 179.24 179.14 1x5d h ILE 108 N -1.00 0.41 -0.04 0.35 2.04 -0.32 -0.22 117.51 118.73 1x5d h ILE 108 Ca -0.06 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1x5d h ILE 108 Cb 0.95 -0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1x5d h ILE 108 CO -0.04 0.07 -0.07 0.58 0.00 0.00 0.00 178.15 178.70 1x5d h VAL 109 N 0.40 1.42 -0.83 1.67 2.07 -0.95 -2.91 116.25 117.12 1x5d h VAL 109 Ca 0.64 -1.34 0.19 0.00 0.82 0.00 0.00 66.70 67.01 1x5d h VAL 109 Cb 1.32 2.22 -0.15 0.00 -1.52 0.00 0.00 31.29 33.16 1x5d h VAL 109 CO -0.56 0.36 -0.06 -1.28 0.02 0.00 0.00 177.57 176.06 1x5d h SER 110 N -0.39 -0.51 0.59 0.57 0.87 -0.91 -0.98 113.55 112.78 1x5d h SER 110 Ca 0.00 0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1x5d h SER 110 Cb 0.62 0.43 0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1x5d h SER 110 CO 0.01 -0.24 -0.28 -0.09 -0.53 0.00 0.00 176.83 175.70 1x5d h ARG 111 N 0.05 -0.76 -1.24 2.24 9.65 -1.44 -2.72 114.38 120.17 1x5d h ARG 111 Ca 0.45 0.05 0.42 0.00 -1.10 0.00 0.00 59.98 59.80 1x5d h ARG 111 Cb 0.79 0.17 -0.14 0.00 -1.39 0.00 0.00 29.97 29.40 1x5d h ARG 111 CO -0.78 -0.45 0.77 0.00 2.80 0.00 0.00 179.97 182.31 1x5d h ALA 112 N -0.63 2.56 -0.35 2.80 0.00 -1.01 1.01 119.26 123.64 1x5d h ALA 112 Ca -0.08 0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1x5d h ALA 112 Cb 0.65 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1x5d h ALA 112 CO 0.13 -1.22 -0.38 -0.07 0.00 0.00 0.00 179.25 177.72 1x5d h LEU 113 N 0.10 0.93 -1.29 0.00 3.38 -1.06 0.67 115.31 118.04 1x5d h LEU 113 Ca 0.82 -0.48 0.16 0.00 0.09 0.00 0.00 57.88 58.47 1x5d h LEU 113 Cb 2.43 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 42.84 1x5d h LEU 113 CO -0.49 1.22 0.58 0.44 0.09 0.00 0.00 178.44 180.28 1x5d h ASP 114 N 0.67 0.63 0.28 -0.43 3.32 0.14 -1.91 116.42 119.11 1x5d h ASP 114 Ca 0.05 0.05 -0.34 0.00 0.02 0.00 0.00 57.03 56.81 1x5d h ASP 114 Cb 0.97 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1x5d h ASP 114 CO 0.09 0.30 -1.79 -0.07 -1.72 0.00 0.00 179.24 176.05 1x5d h LEU 115 N 0.66 0.37 -0.21 1.55 3.38 -1.37 -3.37 115.31 116.31 1x5d h LEU 115 Ca 0.46 -0.68 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1x5d h LEU 115 Cb 0.80 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 1x5d h LEU 115 CO -0.22 1.59 -0.51 0.15 0.09 0.00 0.00 178.44 179.55 1x5d h PHE 116 N 0.06 -1.53 -0.93 1.13 3.57 -0.09 0.12 116.94 119.27 1x5d h PHE 116 Ca -0.34 0.06 0.25 0.00 3.53 0.00 0.00 57.97 61.47 1x5d h PHE 116 Cb 2.04 0.69 -0.13 0.00 2.79 0.00 0.00 35.95 41.34 1x5d h PHE 116 CO 0.06 -0.49 0.43 1.03 -2.23 0.00 0.00 178.31 177.12 1x5d h SER 117 N -0.48 0.36 -0.45 0.41 0.87 -1.63 0.22 113.55 112.84 1x5d h SER 117 Ca 0.04 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1x5d h SER 117 Cb 0.60 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 1x5d h SER 117 CO -0.45 -0.05 0.23 0.44 -0.53 0.00 0.00 176.83 176.46 1x5d h ASP 118 N 0.37 0.58 -3.40 6.23 3.32 -1.20 -3.40 116.42 118.92 1x5d h ASP 118 Ca 0.61 -0.11 -0.55 0.00 0.02 0.00 0.00 57.03 57.00 1x5d h ASP 118 Cb 1.25 -0.15 -0.39 0.00 0.22 0.00 0.00 39.33 40.25 1x5d h ASP 118 CO -0.57 0.53 -0.77 0.54 -1.72 0.00 0.00 179.24 177.25 1x5d s ASN 119 N -5.80 3.32 -0.02 6.45 2.20 0.74 -5.11 114.94 116.72 1x5d s ASN 119 Ca -0.13 -1.00 -0.30 0.00 -0.94 0.00 0.00 52.86 50.48 1x5d s ASN 119 Cb 0.11 -0.82 0.12 0.00 -2.00 0.00 0.00 41.25 38.66 1x5d s ASN 119 CO 0.75 -0.29 1.24 0.00 -2.94 0.00 0.00 177.10 175.86 1x5d s ALA 120 N 1.68 -2.15 1.00 3.54 0.00 -1.15 -4.48 121.76 120.20 1x5d s ALA 120 Ca -0.02 0.76 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 1x5d s ALA 120 Cb -0.18 0.32 0.19 0.00 0.00 0.00 0.00 23.12 23.46 1x5d s ALA 120 CO -0.08 -0.99 1.09 -1.25 0.00 0.00 0.00 175.76 174.53 1x5d s PRO 121 N -2.52 0.40 -0.01 0.00 0.04 -1.26 -4.97 135.00 126.69 1x5d s PRO 121 Ca 0.13 0.52 -0.30 0.00 0.04 0.00 0.00 61.00 61.39 1x5d s PRO 121 Cb 0.03 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.78 1x5d s PRO 121 CO -0.03 -2.75 1.45 -1.25 0.04 0.00 0.00 177.00 174.46 1x5d s PRO 122 N -4.96 4.26 0.00 0.56 0.04 -1.26 -5.02 135.00 128.61 1x5d s PRO 122 Ca 0.65 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1x5d s PRO 122 Cb -0.19 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1x5d s PRO 122 CO 0.58 -0.63 0.00 -0.35 0.04 0.00 0.00 177.00 176.64 1x5d n PRO 123 N 5.64 -0.85 -3.61 0.56 -0.04 -1.26 -5.03 135.00 130.41 1x5d n PRO 123 Ca 0.14 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.25 1x5d n PRO 123 Cb 0.43 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.84 1x5d n PRO 123 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1x5d s GLU 124 N -2.73 3.73 -0.29 0.54 2.56 -1.26 -5.00 118.70 116.26 1x5d s GLU 124 Ca 0.00 0.15 -0.42 0.00 0.00 0.00 0.00 54.97 54.69 1x5d s GLU 124 Cb 0.00 -3.05 -0.18 0.00 2.00 0.00 0.00 34.13 32.90 1x5d s GLU 124 CO 0.00 0.60 1.57 1.28 -0.56 0.00 0.00 175.26 178.15 1x5d n LEU 125 N 1.10 1.59 -3.66 2.70 4.32 -1.26 -4.94 117.00 116.86 1x5d n LEU 125 Ca -0.10 1.13 -0.05 0.00 -0.02 0.00 0.00 56.01 56.97 1x5d n LEU 125 Cb 0.52 -1.03 -0.07 0.00 -1.62 0.00 0.00 43.42 41.23 1x5d n LEU 125 CO 0.41 -0.82 0.17 -0.22 -1.22 0.00 0.00 177.39 175.71 1x5d s LEU 126 N 2.58 -0.84 -0.14 2.23 1.98 -1.26 -5.14 118.68 118.09 1x5d s LEU 126 Ca 0.98 1.30 -0.00 0.00 -2.89 0.00 0.00 54.13 53.52 1x5d s LEU 126 Cb -1.24 1.90 0.03 0.00 0.66 0.00 0.00 46.19 47.54 1x5d s LEU 126 CO 0.68 -0.22 -0.10 -0.70 -1.89 0.00 0.00 176.35 174.12 1x5d s GLU 127 N 2.44 1.87 -0.04 1.98 -6.30 -1.26 -5.12 118.70 112.28 1x5d s GLU 127 Ca -0.06 -0.43 0.02 0.00 -2.50 0.00 0.00 54.97 52.01 1x5d s GLU 127 Cb -0.10 -1.88 0.01 0.00 0.00 0.00 0.00 34.13 32.15 1x5d s GLU 127 CO -0.16 -0.27 -0.09 0.45 0.02 0.00 0.00 175.26 175.20 1x5d s SER 128 N 1.59 1.28 0.00 -1.70 0.15 -1.26 -5.07 113.70 108.70 1x5d s SER 128 Ca 0.04 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1x5d s SER 128 Cb -0.13 -0.43 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 1x5d s SER 128 CO -0.09 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1x5d n GLY 129 N 3.50 0.87 3.68 9.45 0.00 -1.26 -5.17 105.19 116.26 1x5d n GLY 129 Ca -0.20 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1x5d n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5d s PRO 130 N 0.00 0.44 0.29 1.61 0.04 -1.26 -5.05 135.00 131.06 1x5d s PRO 130 Ca 0.00 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1x5d s PRO 130 Cb 0.00 -1.74 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 1x5d s PRO 130 CO 0.00 -2.73 0.48 -1.12 0.04 0.00 0.00 177.00 173.67 1x5d s SER 131 N -3.45 6.34 0.55 6.66 0.01 -1.26 -5.12 113.70 117.43 1x5d s SER 131 Ca 0.65 0.42 0.08 0.00 1.31 0.00 0.00 55.95 58.42 1x5d s SER 131 Cb -0.19 -2.02 0.09 0.00 0.21 0.00 0.00 66.02 64.12 1x5d s SER 131 CO 0.58 -0.19 0.75 -0.24 0.41 0.00 0.00 173.24 174.55 1x5d n SER 132 N -1.32 1.90 0.00 2.44 2.88 -1.26 -5.36 113.62 112.90 1x5d n SER 132 Ca -0.05 -2.40 0.00 0.00 -1.33 0.00 0.00 58.87 55.09 1x5d n SER 132 Cb 0.55 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1x5d n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42