#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5d s SER 2 N 0.00 5.89 0.39 1.61 0.15 -1.26 -5.07 113.70 115.41 1x5d s SER 2 Ca 0.00 -1.41 0.08 0.00 0.70 0.00 0.00 55.95 55.32 1x5d s SER 2 Cb 0.00 -2.09 -0.05 0.00 -1.71 0.00 0.00 66.02 62.17 1x5d s SER 2 CO 0.00 -0.59 0.12 -0.55 1.20 0.00 0.00 173.24 173.42 1x5d s SER 3 N 2.35 4.35 0.00 5.45 0.15 -1.26 -5.00 113.70 119.74 1x5d s SER 3 Ca 0.03 -1.05 0.00 0.00 0.70 0.00 0.00 55.95 55.64 1x5d s SER 3 Cb -0.24 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 1x5d s SER 3 CO 0.04 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.66 1x5d n GLY 4 N -1.14 -0.28 2.18 9.45 0.00 -1.26 -4.95 105.19 109.20 1x5d n GLY 4 Ca -0.02 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1x5d n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5d n SER 5 N -0.62 6.80 -4.17 1.61 3.41 -1.26 -4.90 113.62 114.49 1x5d n SER 5 Ca 0.00 -3.29 -0.11 0.00 -0.26 0.00 0.00 58.87 55.20 1x5d n SER 5 Cb 0.00 -1.08 -0.10 0.00 -0.26 0.00 0.00 64.21 62.77 1x5d n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5d s SER 6 N -0.27 0.18 0.00 4.04 0.01 -1.26 -5.16 113.70 111.24 1x5d s SER 6 Ca 0.46 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1x5d s SER 6 Cb 0.34 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.94 1x5d s SER 6 CO -0.08 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.35 1x5d n GLY 7 N -0.23 -2.23 0.56 3.44 0.00 -1.26 -4.87 105.19 100.59 1x5d n GLY 7 Ca -0.00 -0.36 0.07 0.00 0.00 0.00 0.00 46.02 45.72 1x5d n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5d n ASP 8 N 0.00 3.11 -4.77 1.61 8.00 -1.26 -4.92 116.55 118.32 1x5d n ASP 8 Ca 0.00 -2.65 -0.39 0.00 0.71 0.00 0.00 54.79 52.46 1x5d n ASP 8 Cb 0.00 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 40.71 1x5d n ASP 8 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1x5d s VAL 9 N -2.15 2.86 -0.09 2.53 1.01 -1.26 -4.82 120.40 118.48 1x5d s VAL 9 Ca 0.30 0.78 0.01 0.00 0.00 0.00 0.00 61.98 63.07 1x5d s VAL 9 Cb 0.23 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1x5d s VAL 9 CO 0.08 0.11 -0.12 -0.63 0.00 0.00 0.00 175.10 174.54 1x5d s ILE 10 N -1.29 3.18 -0.19 2.22 1.01 -1.13 -4.84 121.20 120.17 1x5d s ILE 10 Ca 0.55 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 60.43 1x5d s ILE 10 Cb -0.35 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 1x5d s ILE 10 CO 0.45 0.56 0.24 -0.70 0.00 0.00 0.00 174.94 175.50 1x5d s GLU 11 N -0.28 4.20 0.36 2.79 2.12 -1.26 -0.20 118.70 126.42 1x5d s GLU 11 Ca 0.02 -0.03 0.09 0.00 0.36 0.00 0.00 54.97 55.41 1x5d s GLU 11 Cb -0.13 -3.46 -0.07 0.00 0.26 0.00 0.00 34.13 30.74 1x5d s GLU 11 CO 0.03 0.19 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.36 1x5d s LEU 12 N 0.65 2.78 0.27 2.70 1.43 -1.19 -4.92 118.68 120.41 1x5d s LEU 12 Ca 0.13 -1.23 0.05 0.00 -1.03 0.00 0.00 54.13 52.05 1x5d s LEU 12 Cb -0.13 -1.00 -0.06 0.00 0.03 0.00 0.00 46.19 45.04 1x5d s LEU 12 CO 0.03 -0.26 -0.00 -0.89 0.23 0.00 0.00 176.35 175.45 1x5d s THR 13 N -2.63 1.28 0.42 5.49 2.01 -1.25 -4.79 115.64 116.18 1x5d s THR 13 Ca 0.33 -2.05 0.24 0.00 0.31 0.00 0.00 61.69 60.52 1x5d s THR 13 Cb 0.04 -2.51 0.44 0.00 0.01 0.00 0.00 72.50 70.48 1x5d s THR 13 CO 0.17 -0.23 1.71 -2.24 -0.69 0.00 0.00 174.62 173.35 1x5d h ASP 14 N 2.31 0.34 0.00 3.53 2.03 -1.99 1.28 116.42 123.92 1x5d h ASP 14 Ca -0.40 0.10 -0.36 0.00 -0.73 0.00 0.00 57.03 55.64 1x5d h ASP 14 Cb 1.23 0.06 -0.07 0.00 -0.83 0.00 0.00 39.33 39.72 1x5d h ASP 14 CO 0.67 -0.03 -2.37 -0.67 -1.03 0.00 0.00 179.24 175.81 1x5d n ASP 15 N -4.63 0.39 -0.91 4.15 -0.08 -1.26 -4.27 116.55 109.94 1x5d n ASP 15 Ca 0.30 -0.02 0.04 0.00 -1.51 0.00 0.00 54.79 53.60 1x5d n ASP 15 Cb 1.12 0.79 0.17 0.00 2.34 0.00 0.00 41.12 45.53 1x5d n ASP 15 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1x5d n SER 16 N -2.81 2.56 -0.08 1.67 2.88 -0.20 -3.57 113.62 114.07 1x5d n SER 16 Ca -0.34 -2.23 -0.07 0.00 -1.33 0.00 0.00 58.87 54.90 1x5d n SER 16 Cb 1.12 -0.42 -0.13 0.00 -0.75 0.00 0.00 64.21 64.03 1x5d n SER 16 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1x5d n PHE 17 N 0.39 0.00 -0.04 0.66 -0.00 0.42 -3.81 117.46 115.09 1x5d n PHE 17 Ca 0.12 0.00 -0.22 0.00 -0.00 0.00 0.00 57.45 57.36 1x5d n PHE 17 Cb 0.50 -0.79 -0.13 0.00 -0.00 0.00 0.00 39.48 39.06 1x5d n PHE 17 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 1x5d h ASP 18 N 0.00 0.24 0.44 -2.13 3.32 -1.78 -2.91 116.42 113.61 1x5d h ASP 18 Ca -0.42 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 55.87 1x5d h ASP 18 Cb 1.94 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 41.41 1x5d h ASP 18 CO 0.02 1.68 0.00 2.29 -1.72 0.00 0.00 179.24 181.52 1x5d n LYS 19 N -3.93 0.20 -0.09 3.56 2.85 -1.23 0.10 118.16 119.62 1x5d n LYS 19 Ca -0.31 0.13 -0.10 0.00 -1.05 0.00 0.00 58.31 56.97 1x5d n LYS 19 Cb 0.88 -1.50 -0.12 0.00 -0.65 0.00 0.00 35.03 33.64 1x5d n LYS 19 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1x5d n ASN 20 N -1.35 1.29 -0.10 -5.58 3.02 -1.26 -4.15 115.26 107.14 1x5d n ASN 20 Ca 0.08 -0.03 -0.14 0.00 -0.03 0.00 0.00 54.58 54.45 1x5d n ASN 20 Cb 0.17 0.54 -0.05 0.00 -0.61 0.00 0.00 39.78 39.83 1x5d n ASN 20 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1x5d n VAL 21 N -2.78 1.51 -0.09 2.41 0.31 -1.10 -4.24 118.33 114.35 1x5d n VAL 21 Ca -0.31 0.01 0.03 0.00 -0.01 0.00 0.00 64.34 64.06 1x5d n VAL 21 Cb 1.01 -2.23 0.35 0.00 -0.91 0.00 0.00 33.84 32.06 1x5d n VAL 21 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1x5d h LEU 22 N -1.00 0.63 0.00 7.52 3.38 -0.53 0.78 115.31 126.09 1x5d h LEU 22 Ca -0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1x5d h LEU 22 Cb 1.15 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1x5d h LEU 22 CO -0.11 0.45 0.00 -0.67 0.09 0.00 0.00 178.44 178.20 1x5d n ASP 23 N -4.45 0.00 -4.21 -0.43 2.03 -0.98 -4.69 116.55 103.81 1x5d n ASP 23 Ca 0.05 -0.73 -0.25 0.00 0.52 0.00 0.00 54.79 54.38 1x5d n ASP 23 Cb 0.06 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.31 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 -1.96 2.27 -0.33 1.67 0.15 0.27 -4.99 113.70 110.78 1x5d s SER 24 Ca 0.32 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.58 1x5d s SER 24 Cb 0.14 -0.22 0.47 0.00 -1.71 0.00 0.00 66.02 64.70 1x5d s SER 24 CO 0.24 0.19 1.67 -1.84 1.20 0.00 0.00 173.24 174.70 1x5d n GLU 25 N 2.28 1.90 -4.39 5.44 0.28 -1.26 -4.81 120.64 120.08 1x5d n GLU 25 Ca -0.16 -2.15 -0.25 0.00 -0.16 0.00 0.00 57.16 54.44 1x5d n GLU 25 Cb 0.53 -1.84 -0.10 0.00 1.43 0.00 0.00 31.44 31.47 1x5d n GLU 25 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1x5d s ASP 26 N -0.64 3.89 -0.05 -1.84 1.11 -1.26 -4.83 116.67 113.06 1x5d s ASP 26 Ca 0.41 -0.83 -0.30 0.00 0.18 0.00 0.00 52.55 52.01 1x5d s ASP 26 Cb 0.34 -0.49 -0.04 0.00 1.07 0.00 0.00 42.92 43.80 1x5d s ASP 26 CO 0.08 0.06 1.38 -0.69 1.18 0.00 0.00 175.17 177.18 1x5d s VAL 27 N -2.15 3.88 -0.29 -1.27 1.01 -1.24 -4.67 120.40 115.66 1x5d s VAL 27 Ca 0.27 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.42 1x5d s VAL 27 Cb -0.07 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.59 1x5d s VAL 27 CO 0.15 -0.04 -0.00 0.26 0.00 0.00 0.00 175.10 175.47 1x5d s TRP 28 N 2.84 3.22 -0.69 5.22 0.52 -1.17 -0.55 118.94 128.34 1x5d s TRP 28 Ca 0.62 -1.75 -0.22 0.00 0.02 0.00 0.00 56.10 54.77 1x5d s TRP 28 Cb -0.29 -2.11 0.07 0.00 -1.15 0.00 0.00 33.47 29.99 1x5d s TRP 28 CO 0.24 -0.78 0.99 -1.64 0.02 0.00 0.00 176.95 175.78 1x5d s MET 29 N 1.29 3.16 -0.26 4.98 -1.94 0.44 -3.07 119.30 123.89 1x5d s MET 29 Ca -0.04 -0.91 -0.20 0.00 -1.71 0.00 0.00 55.69 52.83 1x5d s MET 29 Cb -0.19 -4.30 -0.02 0.00 2.01 0.00 0.00 34.83 32.33 1x5d s MET 29 CO -0.01 -1.82 0.63 0.08 -0.01 0.00 0.00 175.02 173.88 1x5d s VAL 30 N 3.98 4.98 -0.33 -6.03 1.01 -0.86 -0.26 120.40 122.90 1x5d s VAL 30 Ca 0.23 1.11 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 1x5d s VAL 30 Cb -0.16 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 32.36 1x5d s VAL 30 CO 0.08 0.02 0.05 -0.70 0.00 0.00 0.00 175.10 174.55 1x5d s GLU 31 N 2.51 2.22 0.15 2.72 -6.30 0.26 -1.53 118.70 118.73 1x5d s GLU 31 Ca 0.26 -1.47 -0.30 0.00 -2.50 0.00 0.00 54.97 50.96 1x5d s GLU 31 Cb -0.15 -3.27 -0.07 0.00 0.00 0.00 0.00 34.13 30.64 1x5d s GLU 31 CO 0.09 -0.76 1.04 -0.06 0.02 0.00 0.00 175.26 175.58 1x5d s PHE 32 N 1.18 3.70 0.13 5.30 0.40 0.22 -2.51 117.98 126.40 1x5d s PHE 32 Ca -0.00 1.69 -0.05 0.00 -0.60 0.00 0.00 56.93 57.97 1x5d s PHE 32 Cb -0.20 -3.17 -0.02 0.00 0.51 0.00 0.00 43.02 40.13 1x5d s PHE 32 CO -0.03 -0.23 0.16 1.52 0.70 0.00 0.00 175.22 177.34 1x5d s TYR 33 N -0.19 0.54 -0.03 0.36 -0.85 -0.71 -1.54 117.35 114.93 1x5d s TYR 33 Ca 0.48 -0.93 0.06 0.00 -0.52 0.00 0.00 57.07 56.16 1x5d s TYR 33 Cb -0.27 -0.24 -0.01 0.00 0.38 0.00 0.00 41.96 41.82 1x5d s TYR 33 CO 0.33 -0.59 -0.23 0.00 -1.52 0.00 0.00 175.55 173.54 1x5d s ALA 34 N -3.98 1.94 -1.20 9.51 0.00 -1.26 -3.27 121.76 123.50 1x5d s ALA 34 Ca 0.17 -0.97 0.15 0.00 0.00 0.00 0.00 51.96 51.30 1x5d s ALA 34 Cb 0.05 -0.54 0.68 0.00 0.00 0.00 0.00 23.12 23.31 1x5d s ALA 34 CO -0.02 0.43 1.43 -0.35 0.00 0.00 0.00 175.76 177.26 1x5d n PRO 35 N 2.71 0.10 -0.08 0.00 -0.04 -1.26 -2.18 135.00 134.25 1x5d n PRO 35 Ca -0.16 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.60 1x5d n PRO 35 Cb 0.52 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.62 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 -1.40 0.00 -4.16 0.54 4.27 -1.26 -4.99 117.44 110.44 1x5d n TRP 36 Ca 0.05 -0.97 -0.34 0.00 -3.89 0.00 0.00 57.50 52.36 1x5d n TRP 36 Cb 0.14 -0.15 -0.15 0.00 -1.36 0.00 0.00 31.31 29.80 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 7.82 0.66 1.16 0.00 0.00 -1.94 -2.31 103.07 108.46 1x5d h GLY 38 Ca -0.41 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.31 1x5d h GLY 38 CO 0.61 0.55 0.41 0.45 0.00 0.00 0.00 176.54 178.56 1x5d h HIS 39 N 0.35 0.00 0.01 5.60 3.86 -1.95 -0.91 115.15 122.11 1x5d h HIS 39 Ca 0.06 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.89 1x5d h HIS 39 Cb 0.69 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.11 1x5d h HIS 39 CO 0.06 0.00 -2.13 0.00 0.86 0.00 0.00 177.93 176.73 1x5d h LYS 41 N -0.70 0.17 0.00 0.00 2.10 -0.62 1.03 116.57 118.55 1x5d h LYS 41 Ca -0.56 -0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 57.95 1x5d h LYS 41 Cb 1.63 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 32.90 1x5d h LYS 41 CO -0.25 0.11 -0.63 -0.91 -2.00 0.00 0.00 179.45 175.77 1x5d h ASN 42 N 0.18 0.00 1.53 7.07 2.35 -1.62 -3.13 115.58 121.96 1x5d h ASN 42 Ca 0.58 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.33 1x5d h ASN 42 Cb 1.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.29 1x5d h ASN 42 CO -0.15 0.63 -0.47 0.25 -1.65 0.00 0.00 177.43 176.03 1x5d h LEU 43 N 0.00 0.00 -0.94 1.61 5.85 0.82 -3.37 115.31 119.28 1x5d h LEU 43 Ca -0.01 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.81 1x5d h LEU 43 Cb 1.32 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.23 1x5d h LEU 43 CO 0.08 0.00 -0.51 1.21 -0.34 0.00 0.00 178.44 178.89 1x5d n GLU 44 N -2.90 -0.37 0.10 1.25 2.13 0.43 0.26 120.64 121.55 1x5d n GLU 44 Ca 0.02 1.42 -0.02 0.00 0.66 0.00 0.00 57.16 59.24 1x5d n GLU 44 Cb 0.54 -2.09 0.21 0.00 0.27 0.00 0.00 31.44 30.36 1x5d n GLU 44 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1x5d h PRO 45 N 0.00 0.20 0.00 5.31 0.13 -1.78 -1.89 132.00 133.97 1x5d h PRO 45 Ca 0.19 -0.11 -0.06 0.00 -0.87 0.00 0.00 66.00 65.16 1x5d h PRO 45 Cb 0.43 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1x5d h PRO 45 CO -0.89 0.63 -0.28 0.93 -0.23 0.00 0.00 178.00 178.16 1x5d h GLU 46 N 0.17 0.00 0.16 0.86 5.08 -0.45 -2.66 114.58 117.73 1x5d h GLU 46 Ca 0.01 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.02 1x5d h GLU 46 Cb 0.89 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1x5d h GLU 46 CO 0.07 0.28 -1.83 2.35 -1.00 0.00 0.00 179.01 178.88 1x5d h TRP 47 N 0.00 0.60 0.56 4.33 2.91 0.02 -2.06 115.95 122.31 1x5d h TRP 47 Ca -0.00 -0.44 -0.02 0.00 1.13 0.00 0.00 58.89 59.56 1x5d h TRP 47 Cb 0.56 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 29.17 1x5d h TRP 47 CO 0.00 1.68 -0.47 0.00 -1.03 0.00 0.00 178.44 178.62 1x5d h ALA 48 N 0.15 -1.17 -0.16 2.65 0.00 -1.23 -1.88 119.26 117.63 1x5d h ALA 48 Ca -0.37 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.40 1x5d h ALA 48 Cb 2.07 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 20.46 1x5d h ALA 48 CO 0.14 -1.17 -0.26 0.00 0.00 0.00 0.00 179.25 177.96 1x5d h ALA 49 N -1.06 -0.24 -0.70 0.00 0.00 -1.67 -2.28 119.26 113.31 1x5d h ALA 49 Ca -0.07 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1x5d h ALA 49 Cb 0.84 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 19.02 1x5d h ALA 49 CO -0.01 -0.72 -0.30 0.00 0.00 0.00 0.00 179.25 178.22 1x5d h ALA 50 N 0.62 0.16 -1.17 0.00 0.00 -1.58 0.64 119.26 117.93 1x5d h ALA 50 Ca 0.11 0.22 0.33 0.00 0.00 0.00 0.00 54.91 55.57 1x5d h ALA 50 Cb 0.48 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1x5d h ALA 50 CO -0.34 -0.58 0.79 0.00 0.00 0.00 0.00 179.25 179.12 1x5d h ALA 51 N 1.29 2.73 0.10 0.00 0.00 -0.74 0.68 119.26 123.32 1x5d h ALA 51 Ca 0.29 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 1x5d h ALA 51 Cb 0.56 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1x5d h ALA 51 CO -0.75 -1.14 -0.60 1.03 0.00 0.00 0.00 179.25 177.78 1x5d h SER 52 N 0.17 0.32 0.63 0.00 0.87 0.29 -2.08 113.55 113.75 1x5d h SER 52 Ca 0.62 -0.96 -0.02 0.00 -1.23 0.00 0.00 61.79 60.20 1x5d h SER 52 Cb 2.03 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.89 1x5d h SER 52 CO -0.17 1.29 -0.07 -0.08 -0.53 0.00 0.00 176.83 177.26 1x5d h GLU 53 N -0.56 0.00 0.12 2.24 4.57 0.61 -1.51 114.58 120.04 1x5d h GLU 53 Ca -0.11 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.79 1x5d h GLU 53 Cb 1.45 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.04 1x5d h GLU 53 CO 0.10 0.07 -1.46 0.28 -1.18 0.00 0.00 179.01 176.83 1x5d h VAL 54 N 0.00 1.00 0.00 0.32 2.07 0.20 -3.04 116.25 116.80 1x5d h VAL 54 Ca -0.00 -2.40 -0.02 0.00 0.82 0.00 0.00 66.70 65.10 1x5d h VAL 54 Cb 0.41 2.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1x5d h VAL 54 CO 0.01 0.71 -0.08 0.07 0.02 0.00 0.00 177.57 178.30 1x5d h LYS 55 N -0.28 0.00 0.20 1.57 2.10 -1.22 0.22 116.57 119.16 1x5d h LYS 55 Ca -0.31 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.02 1x5d h LYS 55 Cb 1.78 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 33.13 1x5d h LYS 55 CO 0.06 0.08 -1.51 1.05 -2.00 0.00 0.00 179.45 177.13 1x5d h GLU 56 N 0.00 0.43 0.11 0.07 4.11 -1.40 0.96 114.58 118.86 1x5d h GLU 56 Ca -0.00 -0.73 -0.20 0.00 0.07 0.00 0.00 59.36 58.50 1x5d h GLU 56 Cb 0.51 0.27 0.02 0.00 0.50 0.00 0.00 28.75 30.05 1x5d h GLU 56 CO 0.01 1.35 -0.85 1.96 0.07 0.00 0.00 179.01 181.55 1x5d h GLN 57 N 0.02 0.38 -0.09 1.06 4.20 -1.40 -3.22 115.11 116.06 1x5d h GLN 57 Ca -0.29 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 57.87 1x5d h GLN 57 Cb 2.04 0.19 0.00 0.00 0.30 0.00 0.00 27.48 30.01 1x5d h GLN 57 CO 0.20 1.23 0.00 0.25 -0.67 0.00 0.00 178.83 179.84 1x5d n THR 58 N -4.09 0.12 -2.07 -0.54 -2.24 0.76 -4.85 114.28 101.36 1x5d n THR 58 Ca -0.13 -0.12 -0.17 0.00 -2.27 0.00 0.00 64.05 61.36 1x5d n THR 58 Cb 0.82 0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 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 -0.24 -1.71 -0.10 -0.78 4.76 -1.08 0.07 118.16 119.08 1x5d n LYS 59 Ca 0.03 0.91 0.00 0.00 -2.87 0.00 0.00 58.31 56.38 1x5d n LYS 59 Cb 0.08 -5.42 0.00 0.00 -1.84 0.00 0.00 35.03 27.84 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 -0.69 1.15 0.18 0.72 0.00 0.33 -4.96 105.19 101.91 1x5d n GLY 60 Ca -0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 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 3.38 -0.30 -6.24 1.61 1.63 -0.63 -3.36 116.57 112.66 1x5d h LYS 61 Ca 0.00 0.02 -0.57 0.00 -0.85 0.00 0.00 60.65 59.25 1x5d h LYS 61 Cb 0.00 0.07 -0.09 0.00 -0.60 0.00 0.00 32.23 31.60 1x5d h LYS 61 CO 0.00 -0.20 0.82 0.08 -3.45 0.00 0.00 179.45 176.70 1x5d s VAL 62 N -4.03 4.12 0.31 2.00 1.01 -1.26 -3.73 120.40 118.82 1x5d s VAL 62 Ca -0.06 0.56 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 1x5d s VAL 62 Cb 0.02 -4.69 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 1x5d s VAL 62 CO 0.22 -1.34 0.59 -0.54 0.00 0.00 0.00 175.10 174.03 1x5d s LYS 63 N 4.66 3.64 -0.10 2.72 1.02 0.29 -4.24 119.74 127.74 1x5d s LYS 63 Ca 0.36 0.06 0.04 0.00 0.02 0.00 0.00 55.97 56.45 1x5d s LYS 63 Cb -0.10 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.61 1x5d s LYS 63 CO 0.21 0.17 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.08 1x5d s LEU 64 N -3.64 2.02 0.14 3.17 1.02 -1.26 -0.42 118.68 119.70 1x5d s LEU 64 Ca 0.45 -0.52 0.01 0.00 0.02 0.00 0.00 54.13 54.09 1x5d s LEU 64 Cb -0.11 -1.32 -0.04 0.00 0.02 0.00 0.00 46.19 44.74 1x5d s LEU 64 CO 0.31 0.14 -0.01 0.00 0.02 0.00 0.00 176.35 176.80 1x5d s ALA 65 N 0.41 1.15 0.35 4.21 0.00 0.65 -2.81 121.76 125.71 1x5d s ALA 65 Ca -0.18 -1.49 0.06 0.00 0.00 0.00 0.00 51.96 50.35 1x5d s ALA 65 Cb -0.18 0.45 -0.07 0.00 0.00 0.00 0.00 23.12 23.33 1x5d s ALA 65 CO 0.08 -0.31 0.02 0.00 0.00 0.00 0.00 175.76 175.54 1x5d s ALA 66 N -3.70 2.68 -0.20 0.00 0.00 0.72 -0.57 121.76 120.68 1x5d s ALA 66 Ca 0.20 -2.13 -0.18 0.00 0.00 0.00 0.00 51.96 49.85 1x5d s ALA 66 Cb 0.06 0.38 0.05 0.00 0.00 0.00 0.00 23.12 23.61 1x5d s ALA 66 CO 0.01 -0.19 0.52 0.08 0.00 0.00 0.00 175.76 176.18 1x5d s VAL 67 N -3.01 -0.00 -0.63 0.00 1.01 -1.04 -3.15 120.40 113.57 1x5d s VAL 67 Ca 0.35 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 62.12 1x5d s VAL 67 Cb 0.08 -0.73 0.09 0.00 0.00 0.00 0.00 36.38 35.82 1x5d s VAL 67 CO 0.16 0.00 0.85 -1.81 0.00 0.00 0.00 175.10 174.30 1x5d s ASP 68 N 0.31 6.18 0.54 3.32 1.11 -1.26 -1.74 116.67 125.13 1x5d s ASP 68 Ca -0.00 -1.20 0.24 0.00 0.18 0.00 0.00 52.55 51.77 1x5d s ASP 68 Cb -0.04 -2.37 1.33 0.00 1.07 0.00 0.00 42.92 42.92 1x5d s ASP 68 CO 0.00 -1.29 1.72 0.00 1.18 0.00 0.00 175.17 176.78 1x5d h ALA 69 N 9.39 1.26 0.00 5.23 0.00 -1.80 0.41 119.26 133.75 1x5d h ALA 69 Ca -0.28 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 1x5d h ALA 69 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1x5d h ALA 69 CO 1.15 -0.26 -0.43 1.79 0.00 0.00 0.00 179.25 181.49 1x5d h THR 70 N 0.00 1.06 0.00 0.00 1.35 -1.90 -3.30 112.91 110.12 1x5d h THR 70 Ca 0.00 -1.63 -0.17 0.00 -0.55 0.00 0.00 66.41 64.06 1x5d h THR 70 Cb 0.59 1.95 -0.03 0.00 -1.73 0.00 0.00 68.15 68.92 1x5d h THR 70 CO 0.00 0.42 -1.67 0.52 -0.25 0.00 0.00 175.52 174.54 1x5d n VAL 71 N -3.66 0.63 -2.93 6.82 0.31 0.11 -4.91 118.33 114.69 1x5d n VAL 71 Ca -0.01 -0.41 -0.43 0.00 -0.01 0.00 0.00 64.34 63.48 1x5d n VAL 71 Cb 0.52 -0.64 -0.05 0.00 -0.91 0.00 0.00 33.84 32.76 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 -4.15 6.35 -0.13 4.52 0.01 0.60 -4.83 114.94 117.31 1x5d s ASN 72 Ca -0.05 -0.35 0.07 0.00 -0.71 0.00 0.00 52.86 51.82 1x5d s ASN 72 Cb 0.03 -2.39 -0.13 0.00 0.41 0.00 0.00 41.25 39.17 1x5d s ASN 72 CO 0.42 -1.06 -0.02 0.00 -1.51 0.00 0.00 177.10 174.93 1x5d n GLN 73 N 6.99 1.52 -0.38 -0.60 1.13 -1.26 -3.78 117.38 121.00 1x5d n GLN 73 Ca 0.01 0.03 -0.01 0.00 -1.94 0.00 0.00 57.00 55.08 1x5d n GLN 73 Cb 0.47 -1.30 0.13 0.00 0.11 0.00 0.00 30.24 29.65 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 1.22 0.00 5.09 2.07 -1.96 -1.54 116.25 121.13 1x5d h VAL 74 Ca -0.32 -0.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 1x5d h VAL 74 Cb 1.65 -0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1x5d h VAL 74 CO -0.01 0.24 -0.51 -0.07 0.02 0.00 0.00 177.57 177.24 1x5d h LEU 75 N 1.32 0.00 -1.72 2.57 3.38 -1.92 -3.07 115.31 115.87 1x5d h LEU 75 Ca 0.39 -0.34 0.30 0.00 0.09 0.00 0.00 57.88 58.31 1x5d h LEU 75 Cb -0.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1x5d h LEU 75 CO -0.10 0.96 0.93 0.00 0.09 0.00 0.00 178.44 180.32 1x5d h ALA 76 N -0.66 2.91 0.19 1.53 0.00 -1.65 0.53 119.26 122.11 1x5d h ALA 76 Ca -0.10 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.42 1x5d h ALA 76 Cb 0.72 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1x5d h ALA 76 CO -0.06 -1.47 -1.73 1.03 0.00 0.00 0.00 179.25 177.03 1x5d h SER 77 N 0.00 0.62 -0.43 0.00 0.87 -1.40 0.65 113.55 113.86 1x5d h SER 77 Ca 0.49 -0.91 0.07 0.00 -1.23 0.00 0.00 61.79 60.22 1x5d h SER 77 Cb 2.35 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 64.04 1x5d h SER 77 CO -0.01 1.77 0.07 -0.09 -0.53 0.00 0.00 176.83 178.04 1x5d h ARG 78 N 0.11 0.19 0.00 2.24 2.43 0.14 -2.98 114.38 116.51 1x5d h ARG 78 Ca -0.33 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.77 1x5d h ARG 78 Cb 2.10 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.60 1x5d h ARG 78 CO 0.18 0.13 -2.04 0.66 -1.51 0.00 0.00 179.97 177.39 1x5d n TYR 79 N -5.12 0.00 -1.90 2.20 4.02 -0.88 -5.01 117.16 110.47 1x5d n TYR 79 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1x5d n TYR 79 Cb 0.21 -0.57 0.00 0.00 -0.02 0.00 0.00 39.34 38.96 1x5d n TYR 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x5d n GLY 80 N 1.36 0.97 3.57 2.72 0.00 0.15 -4.97 105.19 108.99 1x5d n GLY 80 Ca -0.08 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.76 3.22 0.00 -0.61 -1.09 0.18 -4.64 121.20 115.49 1x5d s ILE 81 Ca 0.00 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 1x5d s ILE 81 Cb 0.00 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1x5d s ILE 81 CO 0.00 -0.33 0.00 -2.11 -1.23 0.00 0.00 174.94 171.27 1x5d n ARG 82 N 8.84 1.99 -3.24 2.79 1.85 -1.26 -4.88 116.66 122.75 1x5d n ARG 82 Ca 0.28 0.00 -0.46 0.00 -1.00 0.00 0.00 57.85 56.67 1x5d n ARG 82 Cb 0.50 -0.76 -0.03 0.00 -1.05 0.00 0.00 32.46 31.12 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 -2.11 2.30 0.24 2.89 0.00 -1.26 -5.05 107.32 104.34 1x5d s GLY 83 Ca 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 44.72 41.78 1x5d s GLY 83 CO 0.00 1.39 0.48 -1.36 0.00 0.00 0.00 173.10 173.61 1x5d s PHE 84 N 1.20 3.48 0.63 1.90 0.08 -1.26 -3.99 117.98 120.01 1x5d s PHE 84 Ca 0.15 0.53 -0.16 0.00 0.12 0.00 0.00 56.93 57.57 1x5d s PHE 84 Cb -0.16 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.26 1x5d s PHE 84 CO -0.04 0.28 1.12 -1.25 -0.10 0.00 0.00 175.22 175.22 1x5d s PRO 85 N -3.35 2.95 -0.08 0.24 0.04 -1.26 -4.83 135.00 128.72 1x5d s PRO 85 Ca 0.42 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1x5d s PRO 85 Cb -0.11 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.49 1x5d s PRO 85 CO 0.29 -1.14 -0.05 0.99 0.04 0.00 0.00 177.00 177.13 1x5d s THR 86 N -2.18 0.73 -0.08 1.26 2.01 -0.59 -4.99 115.64 111.81 1x5d s THR 86 Ca 0.69 -0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.56 1x5d s THR 86 Cb -0.21 -0.78 -0.01 0.00 0.01 0.00 0.00 72.50 71.51 1x5d s THR 86 CO 0.37 0.30 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.79 1x5d s ILE 87 N 1.43 2.59 -0.01 1.82 1.01 -1.26 0.69 121.20 127.47 1x5d s ILE 87 Ca -0.02 -0.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.77 1x5d s ILE 87 Cb -0.13 -2.01 0.01 0.00 0.01 0.00 0.00 42.46 40.34 1x5d s ILE 87 CO -0.04 0.56 0.02 -0.54 0.00 0.00 0.00 174.94 174.94 1x5d s LYS 88 N -0.12 -0.01 -0.16 2.79 -0.14 -0.59 -1.70 119.74 119.82 1x5d s LYS 88 Ca -0.03 0.08 -0.08 0.00 -1.36 0.00 0.00 55.97 54.58 1x5d s LYS 88 Cb -0.14 -0.09 -0.04 0.00 -1.68 0.00 0.00 37.83 35.88 1x5d s LYS 88 CO 0.04 -0.06 0.10 0.42 -0.76 0.00 0.00 175.35 175.09 1x5d s ILE 89 N 0.41 5.18 -0.23 2.17 1.09 -0.42 -2.02 121.20 127.39 1x5d s ILE 89 Ca -0.03 0.10 0.01 0.00 -1.10 0.00 0.00 60.65 59.63 1x5d s ILE 89 Cb -0.05 -3.31 0.04 0.00 -1.06 0.00 0.00 42.46 38.08 1x5d s ILE 89 CO -0.01 0.52 -0.13 -0.36 -0.10 0.00 0.00 174.94 174.86 1x5d s PHE 90 N -0.19 3.06 -0.27 3.97 0.40 -1.18 0.09 117.98 123.86 1x5d s PHE 90 Ca 0.09 -1.93 -0.05 0.00 -0.60 0.00 0.00 56.93 54.44 1x5d s PHE 90 Cb -0.12 -1.96 0.01 0.00 0.51 0.00 0.00 43.02 41.47 1x5d s PHE 90 CO 0.01 -0.82 0.02 -0.65 0.70 0.00 0.00 175.22 174.48 1x5d s GLN 91 N 1.21 3.08 -0.23 0.44 -0.21 -1.26 -3.02 119.66 119.67 1x5d s GLN 91 Ca -0.02 -0.84 -0.31 0.00 0.02 0.00 0.00 55.36 54.21 1x5d s GLN 91 Cb -0.17 -3.21 -0.08 0.00 1.00 0.00 0.00 33.01 30.55 1x5d s GLN 91 CO -0.08 -0.39 2.17 1.17 -2.12 0.00 0.00 175.29 176.05 1x5d n LYS 92 N 4.80 1.79 0.00 2.91 3.00 -1.26 -2.19 118.16 127.21 1x5d n LYS 92 Ca -0.16 0.52 0.00 0.00 -0.00 0.00 0.00 58.31 58.67 1x5d n LYS 92 Cb 0.48 -2.95 0.00 0.00 0.00 0.00 0.00 35.03 32.56 1x5d n LYS 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1x5d n GLY 93 N 5.80 3.79 3.62 3.14 0.00 -1.26 -5.04 105.19 115.23 1x5d n GLY 93 Ca 0.32 -0.87 -0.28 0.00 0.00 0.00 0.00 46.02 45.18 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 1.96 0.78 1.61 2.02 -0.93 -5.13 118.70 119.02 1x5d s GLU 94 Ca 0.00 -2.13 -0.14 0.00 0.02 0.00 0.00 54.97 52.72 1x5d s GLU 94 Cb 0.00 -1.54 0.07 0.00 0.10 0.00 0.00 34.13 32.76 1x5d s GLU 94 CO 0.00 -0.11 1.20 -1.54 0.02 0.00 0.00 175.26 174.83 1x5d s SER 95 N -3.71 3.80 1.16 -0.19 1.04 -1.26 -4.42 113.70 110.12 1x5d s SER 95 Ca 0.31 2.35 -0.18 0.00 0.48 0.00 0.00 55.95 58.91 1x5d s SER 95 Cb 0.09 -2.59 0.27 0.00 0.10 0.00 0.00 66.02 63.89 1x5d s SER 95 CO 0.16 -2.53 1.11 -2.16 0.98 0.00 0.00 173.24 170.79 1x5d s PRO 96 N -4.08 -0.92 0.16 4.02 0.04 -1.26 -4.60 135.00 128.35 1x5d s PRO 96 Ca 0.73 0.04 0.05 0.00 0.04 0.00 0.00 61.00 61.86 1x5d s PRO 96 Cb -0.29 -1.62 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1x5d s PRO 96 CO 0.49 -3.53 -0.10 0.08 0.04 0.00 0.00 177.00 173.98 1x5d s VAL 97 N -3.00 1.20 -0.33 -0.36 1.01 0.11 -4.97 120.40 114.07 1x5d s VAL 97 Ca 0.70 -2.07 -0.00 0.00 0.00 0.00 0.00 61.98 60.60 1x5d s VAL 97 Cb -0.12 -1.91 0.08 0.00 0.00 0.00 0.00 36.38 34.43 1x5d s VAL 97 CO 0.56 -0.70 0.04 1.51 0.00 0.00 0.00 175.10 176.52 1x5d s ASP 98 N -3.19 4.89 -0.07 3.32 -4.77 -1.26 -1.30 116.67 114.29 1x5d s ASP 98 Ca 0.18 -1.64 -0.30 0.00 -3.30 0.00 0.00 52.55 47.50 1x5d s ASP 98 Cb 0.03 -1.70 -0.02 0.00 -1.09 0.00 0.00 42.92 40.14 1x5d s ASP 98 CO 0.02 -0.34 1.01 -0.47 0.70 0.00 0.00 175.17 176.09 1x5d s TYR 99 N 1.14 3.53 -0.47 2.11 6.14 -0.69 -4.98 117.35 124.13 1x5d s TYR 99 Ca 0.00 1.60 0.08 0.00 0.64 0.00 0.00 57.07 59.39 1x5d s TYR 99 Cb -0.20 -3.19 0.26 0.00 0.42 0.00 0.00 41.96 39.25 1x5d s TYR 99 CO -0.04 -0.25 0.61 -0.25 0.64 0.00 0.00 175.55 176.26 1x5d n ASP 100 N 4.73 1.38 0.00 4.32 9.92 -1.26 -4.22 116.55 131.42 1x5d n ASP 100 Ca 0.08 -2.96 0.00 0.00 -0.53 0.00 0.00 54.79 51.39 1x5d n ASP 100 Cb 0.49 -0.65 0.00 0.00 -0.64 0.00 0.00 41.12 40.32 1x5d n ASP 100 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x5d n GLY 101 N 1.14 5.53 0.00 0.44 0.00 -1.26 -5.00 105.19 106.05 1x5d n GLY 101 Ca 0.24 -1.73 0.05 0.00 0.00 0.00 0.00 46.02 44.58 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 4.04 -0.99 1.80 -0.02 0.00 -1.26 -4.85 105.19 103.91 1x5d n GLY 102 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1x5d n GLY 102 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1x5d n ARG 103 N -0.64 -2.09 -3.69 1.61 0.00 -1.26 -4.84 116.66 105.74 1x5d n ARG 103 Ca 0.07 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.55 1x5d n ARG 103 Cb 0.03 -4.04 -0.07 0.00 -0.00 0.00 0.00 32.46 28.38 1x5d n ARG 103 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1x5d s THR 104 N -1.50 5.34 0.44 8.89 -4.23 -1.26 -4.50 115.64 118.82 1x5d s THR 104 Ca 0.00 0.43 0.36 0.00 -1.18 0.00 0.00 61.69 61.31 1x5d s THR 104 Cb 0.00 -3.54 0.55 0.00 1.34 0.00 0.00 72.50 70.85 1x5d s THR 104 CO 0.00 0.53 1.40 -2.11 -0.54 0.00 0.00 174.62 173.90 1x5d n ARG 105 N 2.56 -0.02 -0.07 3.99 1.85 -0.77 0.21 116.66 124.40 1x5d n ARG 105 Ca -0.16 1.06 -0.13 0.00 -1.00 0.00 0.00 57.85 57.62 1x5d n ARG 105 Cb 0.53 -2.23 -0.06 0.00 -1.05 0.00 0.00 32.46 29.65 1x5d n ARG 105 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1x5d h SER 106 N 0.00 0.50 0.02 2.89 0.02 -1.92 -2.28 113.55 112.77 1x5d h SER 106 Ca 0.82 -0.46 -0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1x5d h SER 106 Cb 2.93 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 65.33 1x5d h SER 106 CO -0.24 0.85 -0.01 0.44 -1.14 0.00 0.00 176.83 176.74 1x5d h ASP 107 N 0.15 -0.02 -0.71 3.07 5.19 0.20 -2.85 116.42 121.44 1x5d h ASP 107 Ca 0.04 -0.72 0.16 0.00 -0.62 0.00 0.00 57.03 55.88 1x5d h ASP 107 Cb 0.70 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.10 1x5d h ASP 107 CO 0.04 0.81 0.10 0.40 -3.12 0.00 0.00 179.24 177.47 1x5d h ILE 108 N -0.95 0.47 -0.27 0.35 2.04 -0.30 -0.59 117.51 118.25 1x5d h ILE 108 Ca -0.00 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1x5d h ILE 108 Cb 0.74 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1x5d h ILE 108 CO 0.00 0.03 0.06 0.58 0.00 0.00 0.00 178.15 178.83 1x5d h VAL 109 N 0.19 1.22 -0.24 1.67 2.07 -1.53 -0.42 116.25 119.21 1x5d h VAL 109 Ca 0.39 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 67.27 1x5d h VAL 109 Cb 0.67 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1x5d h VAL 109 CO -0.55 0.23 0.24 -1.28 0.02 0.00 0.00 177.57 176.23 1x5d h SER 110 N 0.26 0.00 0.00 0.57 0.87 -0.91 -2.60 113.55 111.74 1x5d h SER 110 Ca 0.08 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1x5d h SER 110 Cb 0.29 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1x5d h SER 110 CO 0.00 0.00 -0.35 -0.09 -0.53 0.00 0.00 176.83 175.86 1x5d h ARG 111 N 0.00 0.00 -0.90 2.24 9.65 -0.77 -3.35 114.38 121.25 1x5d h ARG 111 Ca 0.12 0.00 0.33 0.00 -1.10 0.00 0.00 59.98 59.32 1x5d h ARG 111 Cb 0.59 0.00 -0.16 0.00 -1.39 0.00 0.00 29.97 29.00 1x5d h ARG 111 CO -0.00 0.15 0.31 0.00 2.80 0.00 0.00 179.97 183.23 1x5d n ALA 112 N -3.22 0.75 -0.09 2.80 0.00 -0.21 0.13 120.51 120.67 1x5d n ALA 112 Ca -0.07 0.94 -0.07 0.00 0.00 0.00 0.00 53.44 54.24 1x5d n ALA 112 Cb 0.21 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1x5d n ALA 112 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1x5d h LEU 113 N 0.00 0.16 -0.84 0.00 3.38 -1.63 -0.86 115.31 115.51 1x5d h LEU 113 Ca 0.68 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.89 1x5d h LEU 113 Cb 1.69 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.29 1x5d h LEU 113 CO -0.75 0.13 0.05 -0.78 0.09 0.00 0.00 178.44 177.17 1x5d h ASP 114 N 0.27 -0.33 -0.08 -0.43 1.82 0.92 -0.15 116.42 118.45 1x5d h ASP 114 Ca 0.14 0.22 -0.08 0.00 -0.39 0.00 0.00 57.03 56.92 1x5d h ASP 114 Cb 0.09 0.37 0.00 0.00 0.68 0.00 0.00 39.33 40.48 1x5d h ASP 114 CO -0.13 -0.22 -0.26 -0.07 -1.61 0.00 0.00 179.24 176.95 1x5d h LEU 115 N 0.10 0.37 -0.97 2.28 3.38 -1.38 -3.28 115.31 115.81 1x5d h LEU 115 Ca 0.48 -0.62 0.13 0.00 0.09 0.00 0.00 57.88 57.97 1x5d h LEU 115 Cb 0.91 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.41 1x5d h LEU 115 CO -0.74 0.92 -0.43 0.33 0.09 0.00 0.00 178.44 178.61 1x5d n PHE 116 N -4.48 -0.11 -0.32 1.13 7.35 -0.12 0.10 117.46 121.02 1x5d n PHE 116 Ca -0.08 1.20 0.06 0.00 -0.76 0.00 0.00 57.45 57.87 1x5d n PHE 116 Cb 0.46 -0.78 0.22 0.00 0.35 0.00 0.00 39.48 39.73 1x5d n PHE 116 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1x5d h SER 117 N 0.00 0.75 0.51 -2.13 4.64 -1.50 0.50 113.55 116.32 1x5d h SER 117 Ca 0.28 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.64 1x5d h SER 117 Cb 0.53 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1x5d h SER 117 CO -0.95 0.38 -0.29 0.44 -0.87 0.00 0.00 176.83 175.55 1x5d h ASP 118 N 0.83 -0.71 0.00 4.97 3.32 0.63 -3.39 116.42 122.07 1x5d h ASP 118 Ca 0.47 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.55 1x5d h ASP 118 Cb 0.52 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1x5d h ASP 118 CO -0.29 -0.46 0.00 0.59 -1.72 0.00 0.00 179.24 177.36 1x5d n ASN 119 N -4.15 0.00 -4.76 6.45 3.02 -0.53 -4.88 115.26 110.41 1x5d n ASN 119 Ca -0.09 0.38 -0.34 0.00 -0.03 0.00 0.00 54.58 54.50 1x5d n ASN 119 Cb 0.30 -0.25 0.05 0.00 -0.61 0.00 0.00 39.78 39.27 1x5d n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5d s ALA 120 N -3.24 2.42 0.62 5.41 0.00 0.17 -5.00 121.76 122.15 1x5d s ALA 120 Ca 0.00 0.67 -0.16 0.00 0.00 0.00 0.00 51.96 52.47 1x5d s ALA 120 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1x5d s ALA 120 CO 0.00 -1.34 1.12 -1.25 0.00 0.00 0.00 175.76 174.29 1x5d s PRO 121 N -3.92 2.97 0.64 0.00 0.04 -1.26 -3.81 135.00 129.66 1x5d s PRO 121 Ca 0.70 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 63.04 1x5d s PRO 121 Cb -0.23 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1x5d s PRO 121 CO 0.40 -1.13 1.11 -1.25 0.04 0.00 0.00 177.00 176.17 1x5d s PRO 122 N -3.86 2.87 1.19 0.56 0.04 -1.26 -4.81 135.00 129.73 1x5d s PRO 122 Ca 0.69 1.42 -0.20 0.00 0.04 0.00 0.00 61.00 62.95 1x5d s PRO 122 Cb -0.21 -1.96 0.29 0.00 0.04 0.00 0.00 34.50 32.66 1x5d s PRO 122 CO 0.37 -1.20 1.06 -0.35 0.04 0.00 0.00 177.00 176.92 1x5d n PRO 123 N -2.27 -3.07 -4.08 0.56 -0.04 -1.26 -4.12 135.00 120.72 1x5d n PRO 123 Ca 0.11 -1.69 -0.31 0.00 -0.04 0.00 0.00 63.50 61.57 1x5d n PRO 123 Cb 0.52 -1.58 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 1x5d n PRO 123 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x5d n GLU 124 N -4.72 -0.78 -0.56 0.54 0.28 -1.26 -4.90 120.64 109.24 1x5d n GLU 124 Ca 0.15 0.05 -0.16 0.00 -0.16 0.00 0.00 57.16 57.04 1x5d n GLU 124 Cb 0.57 -2.83 0.13 0.00 1.43 0.00 0.00 31.44 30.73 1x5d n GLU 124 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 1x5d n LEU 125 N -4.25 0.00 -3.94 -1.84 -0.00 -1.26 -5.03 117.00 100.68 1x5d n LEU 125 Ca -0.24 -0.61 -0.31 0.00 -0.00 0.00 0.00 56.01 54.86 1x5d n LEU 125 Cb 0.58 -0.52 -0.15 0.00 -0.00 0.00 0.00 43.42 43.33 1x5d n LEU 125 CO 0.72 -1.60 -0.30 -0.22 -0.00 0.00 0.00 177.39 176.00 1x5d s LEU 126 N 0.00 4.14 -0.04 1.47 1.98 -1.26 -4.96 118.68 120.00 1x5d s LEU 126 Ca 0.37 -2.26 -0.22 0.00 -2.89 0.00 0.00 54.13 49.12 1x5d s LEU 126 Cb -0.04 -1.47 -0.28 0.00 0.66 0.00 0.00 46.19 45.06 1x5d s LEU 126 CO 0.28 -0.35 0.94 1.05 -1.89 0.00 0.00 176.35 176.39 1x5d h GLU 127 N 7.42 0.29 -6.03 1.98 4.11 -2.04 -3.46 114.58 116.86 1x5d h GLU 127 Ca -0.06 -0.42 -0.81 0.00 0.07 0.00 0.00 59.36 58.14 1x5d h GLU 127 Cb 0.99 0.15 0.04 0.00 0.50 0.00 0.00 28.75 30.42 1x5d h GLU 127 CO 0.54 1.16 0.33 0.45 0.07 0.00 0.00 179.01 181.56 1x5d n SER 128 N -4.22 0.61 -4.47 3.06 2.88 -1.26 -4.74 113.62 105.48 1x5d n SER 128 Ca -0.12 1.16 -0.48 0.00 -1.33 0.00 0.00 58.87 58.10 1x5d n SER 128 Cb 0.73 -0.94 -0.03 0.00 -0.75 0.00 0.00 64.21 63.22 1x5d n SER 128 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5d n GLY 129 N 2.50 -1.13 0.22 0.46 0.00 -1.26 -4.87 105.19 101.12 1x5d n GLY 129 Ca 0.24 0.39 -0.07 0.00 0.00 0.00 0.00 46.02 46.57 1x5d n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5d h PRO 130 N 1.60 0.55 -6.83 1.61 0.13 -1.93 -3.45 132.00 123.68 1x5d h PRO 130 Ca -0.34 -0.29 -0.45 0.00 -0.87 0.00 0.00 66.00 64.05 1x5d h PRO 130 Cb 1.41 0.01 0.04 0.00 0.13 0.00 0.00 31.00 32.59 1x5d h PRO 130 CO 0.60 0.88 -0.02 -1.54 -0.23 0.00 0.00 178.00 177.68 1x5d s SER 131 N -6.86 5.49 -0.17 1.44 1.04 -1.26 -5.04 113.70 108.33 1x5d s SER 131 Ca -0.07 0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.44 1x5d s SER 131 Cb 0.12 -1.21 -0.22 0.00 0.10 0.00 0.00 66.02 64.80 1x5d s SER 131 CO 0.82 -0.99 0.23 -1.20 0.98 0.00 0.00 173.24 173.08 1x5d n SER 132 N -2.30 2.03 0.00 7.02 7.64 -1.26 -5.18 113.62 121.57 1x5d n SER 132 Ca 0.05 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1x5d n SER 132 Cb 0.59 -0.85 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1x5d n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64