#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 -0.09 0.77 1.61 0.01 -1.26 -5.17 113.70 109.57 1x5d s SER 2 Ca 0.00 -0.52 -0.11 0.00 1.31 0.00 0.00 55.95 56.63 1x5d s SER 2 Cb 0.00 0.44 0.07 0.00 0.21 0.00 0.00 66.02 66.74 1x5d s SER 2 CO 0.00 -0.85 1.13 -0.55 0.41 0.00 0.00 173.24 173.38 1x5d s SER 3 N -2.86 4.70 -0.00 2.44 0.15 -1.26 -4.89 113.70 111.99 1x5d s SER 3 Ca 0.07 0.75 -0.00 0.00 0.70 0.00 0.00 55.95 57.46 1x5d s SER 3 Cb 0.03 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.02 1x5d s SER 3 CO -0.09 -1.76 0.00 0.61 1.20 0.00 0.00 173.24 173.21 1x5d n GLY 4 N -3.18 -2.97 3.31 9.45 0.00 -1.26 -5.12 105.19 105.42 1x5d n GLY 4 Ca 0.08 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 1x5d n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5d s SER 5 N -0.03 -0.13 -0.11 1.61 0.01 -1.26 -5.03 113.70 108.77 1x5d s SER 5 Ca -0.00 -0.46 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 1x5d s SER 5 Cb 0.00 0.45 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 1x5d s SER 5 CO 0.01 -0.85 0.04 -0.44 0.41 0.00 0.00 173.24 172.42 1x5d s SER 6 N -2.84 5.58 0.07 2.44 0.01 -1.26 -4.98 113.70 112.73 1x5d s SER 6 Ca 0.05 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.54 1x5d s SER 6 Cb 0.02 -1.69 0.00 0.00 0.21 0.00 0.00 66.02 64.56 1x5d s SER 6 CO -0.10 0.36 0.00 0.61 0.41 0.00 0.00 173.24 174.53 1x5d n GLY 7 N 2.25 1.86 1.23 3.44 0.00 -1.26 -1.03 105.19 111.68 1x5d n GLY 7 Ca -0.19 0.58 0.04 0.00 0.00 0.00 0.00 46.02 46.45 1x5d n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x5d n ASP 8 N 4.23 1.43 -4.75 1.61 2.03 -1.22 -5.06 116.55 114.81 1x5d n ASP 8 Ca 0.00 -2.79 -0.39 0.00 0.52 0.00 0.00 54.79 52.13 1x5d n ASP 8 Cb 0.00 -0.40 -0.06 0.00 -0.72 0.00 0.00 41.12 39.95 1x5d n ASP 8 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1x5d s VAL 9 N -1.57 4.95 0.08 5.18 0.11 -0.20 -4.75 120.40 124.21 1x5d s VAL 9 Ca 0.36 1.24 -0.20 0.00 -2.93 0.00 0.00 61.98 60.45 1x5d s VAL 9 Cb 0.38 -3.93 -0.07 0.00 -1.53 0.00 0.00 36.38 31.23 1x5d s VAL 9 CO -0.12 0.39 0.60 -0.63 -3.33 0.00 0.00 175.10 172.02 1x5d s ILE 10 N -0.01 4.70 -0.23 7.04 1.01 -0.75 -4.50 121.20 128.45 1x5d s ILE 10 Ca 0.31 1.30 -0.12 0.00 0.00 0.00 0.00 60.65 62.14 1x5d s ILE 10 Cb -0.18 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 1x5d s ILE 10 CO 0.17 0.54 0.23 -0.70 0.00 0.00 0.00 174.94 175.17 1x5d s GLU 11 N -1.03 4.08 0.33 2.79 2.12 -1.26 0.19 118.70 125.94 1x5d s GLU 11 Ca 0.30 -0.15 0.09 0.00 0.36 0.00 0.00 54.97 55.58 1x5d s GLU 11 Cb -0.20 -3.55 -0.06 0.00 0.26 0.00 0.00 34.13 30.58 1x5d s GLU 11 CO 0.20 0.00 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.36 1x5d s LEU 12 N 1.21 2.85 0.42 2.70 1.43 -0.96 -4.70 118.68 121.62 1x5d s LEU 12 Ca 0.11 -1.07 0.04 0.00 -1.03 0.00 0.00 54.13 52.17 1x5d s LEU 12 Cb -0.14 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 1x5d s LEU 12 CO 0.06 -0.19 0.13 0.42 0.23 0.00 0.00 176.35 177.00 1x5d s THR 13 N -2.55 0.58 0.53 5.49 -4.23 -1.25 -4.61 115.64 109.61 1x5d s THR 13 Ca 0.33 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.11 1x5d s THR 13 Cb 0.00 -2.32 0.42 0.00 1.34 0.00 0.00 72.50 71.94 1x5d s THR 13 CO 0.18 0.00 1.97 -2.24 -0.54 0.00 0.00 174.62 173.99 1x5d h ASP 14 N 1.75 0.00 0.00 3.99 2.03 -1.97 0.68 116.42 122.91 1x5d h ASP 14 Ca -0.35 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 55.65 1x5d h ASP 14 Cb 1.28 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.72 1x5d h ASP 14 CO 0.56 0.00 -2.14 -0.90 -1.03 0.00 0.00 179.24 175.74 1x5d n ASP 15 N -4.35 1.07 -1.21 4.15 5.75 -1.26 -4.37 116.55 116.34 1x5d n ASP 15 Ca 0.12 -0.01 0.05 0.00 -0.01 0.00 0.00 54.79 54.94 1x5d n ASP 15 Cb 0.70 0.79 0.24 0.00 -1.03 0.00 0.00 41.12 41.82 1x5d n ASP 15 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1x5d n SER 16 N -2.66 3.50 -0.13 -1.12 7.64 -0.80 -3.64 113.62 116.42 1x5d n SER 16 Ca -0.28 -2.40 -0.26 0.00 1.01 0.00 0.00 58.87 56.94 1x5d n SER 16 Cb 1.02 -0.52 -0.11 0.00 -1.01 0.00 0.00 64.21 63.59 1x5d n SER 16 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1x5d n PHE 17 N 0.53 0.23 -0.07 1.43 -0.00 0.23 -3.82 117.46 116.00 1x5d n PHE 17 Ca 0.17 0.09 -0.11 0.00 -0.00 0.00 0.00 57.45 57.59 1x5d n PHE 17 Cb 0.70 -1.03 -0.09 0.00 -0.00 0.00 0.00 39.48 39.06 1x5d n PHE 17 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.76 177.14 1x5d h ASP 18 N -0.79 0.00 0.00 -2.13 3.04 -1.79 -2.13 116.42 112.61 1x5d h ASP 18 Ca -0.61 -0.69 0.00 0.00 -3.24 0.00 0.00 57.03 52.49 1x5d h ASP 18 Cb 1.63 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.92 1x5d h ASP 18 CO -0.31 0.92 0.10 0.07 -2.04 0.00 0.00 179.24 177.98 1x5d h LYS 19 N -1.00 0.00 0.00 4.15 2.10 -1.84 0.85 116.57 120.84 1x5d h LYS 19 Ca -0.03 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.54 1x5d h LYS 19 Cb 0.78 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.10 1x5d h LYS 19 CO -0.02 0.00 -1.95 0.09 -2.00 0.00 0.00 179.45 175.57 1x5d n ASN 20 N -2.23 0.64 -0.05 7.07 3.02 -1.24 -4.11 115.26 118.37 1x5d n ASN 20 Ca -0.01 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.49 1x5d n ASN 20 Cb 0.13 1.65 -0.02 0.00 -0.61 0.00 0.00 39.78 40.94 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 -2.28 0.98 0.08 2.41 0.31 0.53 -4.36 118.33 115.99 1x5d n VAL 21 Ca -0.09 0.26 0.17 0.00 -0.01 0.00 0.00 64.34 64.67 1x5d n VAL 21 Cb 0.63 -1.97 0.70 0.00 -0.91 0.00 0.00 33.84 32.28 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 -0.57 0.00 -0.23 7.52 3.38 0.35 0.45 115.31 126.21 1x5d h LEU 22 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x5d h LEU 22 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1x5d h LEU 22 CO 0.00 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.86 1x5d n ASP 23 N -4.33 0.33 -4.11 -0.43 2.03 -1.14 -4.78 116.55 104.12 1x5d n ASP 23 Ca 0.06 -1.92 -0.18 0.00 0.52 0.00 0.00 54.79 53.27 1x5d n ASP 23 Cb 0.48 -0.04 -0.13 0.00 -0.72 0.00 0.00 41.12 40.71 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 -1.09 1.39 -0.33 1.67 0.15 0.16 -4.99 113.70 110.67 1x5d s SER 24 Ca 0.08 -0.46 0.06 0.00 0.70 0.00 0.00 55.95 56.34 1x5d s SER 24 Cb 0.04 -0.07 0.63 0.00 -1.71 0.00 0.00 66.02 64.91 1x5d s SER 24 CO 0.06 -0.02 1.72 -0.62 1.20 0.00 0.00 173.24 175.58 1x5d n GLU 25 N 1.85 2.90 -4.42 5.44 1.02 -1.26 -4.67 120.64 121.50 1x5d n GLU 25 Ca -0.19 -2.66 -0.25 0.00 -0.02 0.00 0.00 57.16 54.05 1x5d n GLU 25 Cb 0.55 -2.07 -0.10 0.00 -0.02 0.00 0.00 31.44 29.79 1x5d n GLU 25 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x5d s ASP 26 N -0.88 3.72 -0.02 1.62 1.01 -1.26 -4.78 116.67 116.08 1x5d s ASP 26 Ca 0.49 -0.91 -0.30 0.00 0.71 0.00 0.00 52.55 52.54 1x5d s ASP 26 Cb 0.40 -0.39 -0.05 0.00 1.01 0.00 0.00 42.92 43.89 1x5d s ASP 26 CO 0.11 0.06 1.40 -0.69 0.21 0.00 0.00 175.17 176.26 1x5d s VAL 27 N -2.21 3.78 -0.29 -1.27 1.01 -1.26 -4.61 120.40 115.55 1x5d s VAL 27 Ca 0.27 1.13 -0.02 0.00 0.00 0.00 0.00 61.98 63.36 1x5d s VAL 27 Cb -0.06 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.63 1x5d s VAL 27 CO 0.14 -0.02 -0.01 0.26 0.00 0.00 0.00 175.10 175.48 1x5d s TRP 28 N 2.64 3.20 -0.64 5.22 0.52 -0.89 -0.66 118.94 128.34 1x5d s TRP 28 Ca 0.63 -1.71 -0.23 0.00 0.02 0.00 0.00 56.10 54.82 1x5d s TRP 28 Cb -0.30 -2.11 0.07 0.00 -1.15 0.00 0.00 33.47 29.97 1x5d s TRP 28 CO 0.25 -0.77 0.96 -1.64 0.02 0.00 0.00 176.95 175.77 1x5d s MET 29 N 1.29 3.14 -0.27 4.98 -1.94 0.55 -2.58 119.30 124.47 1x5d s MET 29 Ca -0.03 -0.76 -0.19 0.00 -1.71 0.00 0.00 55.69 52.99 1x5d s MET 29 Cb -0.19 -4.20 -0.02 0.00 2.01 0.00 0.00 34.83 32.43 1x5d s MET 29 CO -0.01 -1.77 0.59 0.08 -0.01 0.00 0.00 175.02 173.90 1x5d s VAL 30 N 4.03 5.00 -0.20 -6.03 1.01 -0.36 -0.16 120.40 123.69 1x5d s VAL 30 Ca 0.23 0.97 0.01 0.00 0.00 0.00 0.00 61.98 63.19 1x5d s VAL 30 Cb -0.16 -3.91 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1x5d s VAL 30 CO 0.11 0.00 -0.17 -0.70 0.00 0.00 0.00 175.10 174.35 1x5d s GLU 31 N 2.46 2.82 -0.07 2.72 -6.30 -0.38 -0.72 118.70 119.23 1x5d s GLU 31 Ca 0.24 -0.95 -0.17 0.00 -2.50 0.00 0.00 54.97 51.59 1x5d s GLU 31 Cb -0.15 -2.67 -0.05 0.00 0.00 0.00 0.00 34.13 31.26 1x5d s GLU 31 CO 0.09 -0.30 0.45 -0.06 0.02 0.00 0.00 175.26 175.46 1x5d s PHE 32 N 1.25 3.60 0.24 5.30 0.40 0.39 -0.24 117.98 128.93 1x5d s PHE 32 Ca 0.02 0.92 0.01 0.00 -0.60 0.00 0.00 56.93 57.28 1x5d s PHE 32 Cb -0.15 -2.45 -0.03 0.00 0.51 0.00 0.00 43.02 40.90 1x5d s PHE 32 CO -0.11 0.36 0.20 1.52 0.70 0.00 0.00 175.22 177.89 1x5d s TYR 33 N -0.06 1.29 -0.07 0.36 -0.85 -0.56 -0.33 117.35 117.14 1x5d s TYR 33 Ca 0.25 -1.43 0.05 0.00 -0.52 0.00 0.00 57.07 55.41 1x5d s TYR 33 Cb -0.16 -0.56 -0.00 0.00 0.38 0.00 0.00 41.96 41.62 1x5d s TYR 33 CO 0.11 -0.73 -0.21 0.00 -1.52 0.00 0.00 175.55 173.20 1x5d s ALA 34 N -3.93 1.89 -1.66 9.51 0.00 -1.26 -3.15 121.76 123.17 1x5d s ALA 34 Ca 0.39 -0.86 0.15 0.00 0.00 0.00 0.00 51.96 51.64 1x5d s ALA 34 Cb 0.05 -0.66 0.82 0.00 0.00 0.00 0.00 23.12 23.34 1x5d s ALA 34 CO 0.16 0.31 1.38 -0.35 0.00 0.00 0.00 175.76 177.27 1x5d n PRO 35 N 3.26 0.32 0.00 0.00 -0.04 -1.26 -2.05 135.00 135.23 1x5d n PRO 35 Ca -0.19 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 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 -1.17 0.00 -3.22 0.54 4.27 -1.26 -4.99 117.44 111.61 1x5d n TRP 36 Ca 0.09 -0.06 -0.42 0.00 -3.89 0.00 0.00 57.50 53.22 1x5d n TRP 36 Cb 0.09 -0.01 -0.08 0.00 -1.36 0.00 0.00 31.31 29.96 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 9.29 -1.11 -0.85 0.00 0.00 -1.94 -0.25 103.07 108.21 1x5d h GLY 38 Ca -0.26 0.59 0.40 0.00 0.00 0.00 0.00 47.33 48.05 1x5d h GLY 38 CO 0.82 -0.30 0.90 0.45 0.00 0.00 0.00 176.54 178.41 1x5d h HIS 39 N -0.81 0.35 -0.01 5.60 3.86 -1.95 0.41 115.15 122.61 1x5d h HIS 39 Ca -0.02 0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 1x5d h HIS 39 Cb 0.78 -0.09 0.01 0.00 1.06 0.00 0.00 27.41 29.17 1x5d h HIS 39 CO -0.37 -0.07 -0.53 0.00 0.86 0.00 0.00 177.93 177.83 1x5d h LYS 41 N -0.17 0.45 0.00 0.00 1.57 0.15 0.62 116.57 119.19 1x5d h LYS 41 Ca -0.06 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1x5d h LYS 41 Cb 1.24 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1x5d h LYS 41 CO 0.10 0.30 -0.24 -0.91 -0.57 0.00 0.00 179.45 178.13 1x5d h ASN 42 N 0.47 0.00 0.70 0.86 2.35 -1.43 -2.91 115.58 115.61 1x5d h ASN 42 Ca 0.50 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 56.04 1x5d h ASN 42 Cb 1.15 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.49 1x5d h ASN 42 CO -0.22 0.24 -1.43 0.25 -1.65 0.00 0.00 177.43 174.63 1x5d h LEU 43 N 0.00 0.00 -0.84 1.61 5.85 0.06 -3.37 115.31 118.62 1x5d h LEU 43 Ca -0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.81 1x5d h LEU 43 Cb 0.70 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.62 1x5d h LEU 43 CO 0.03 0.71 -0.45 1.21 -0.34 0.00 0.00 178.44 179.61 1x5d n GLU 44 N -2.97 -0.32 0.16 1.25 2.13 0.35 0.94 120.64 122.18 1x5d n GLU 44 Ca -0.11 1.28 0.01 0.00 0.66 0.00 0.00 57.16 59.00 1x5d n GLU 44 Cb 0.90 -1.89 0.27 0.00 0.27 0.00 0.00 31.44 30.99 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 0.00 -0.15 5.31 0.13 -1.75 -2.46 132.00 133.08 1x5d h PRO 45 Ca 0.18 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.21 1x5d h PRO 45 Cb 0.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 1x5d h PRO 45 CO -0.81 0.49 -0.34 0.93 -0.23 0.00 0.00 178.00 178.05 1x5d h GLU 46 N 0.00 0.31 0.19 0.86 4.39 0.41 -2.32 114.58 118.42 1x5d h GLU 46 Ca -0.00 -0.13 -0.30 0.00 0.34 0.00 0.00 59.36 59.27 1x5d h GLU 46 Cb 0.86 -0.01 0.03 0.00 -0.10 0.00 0.00 28.75 29.53 1x5d h GLU 46 CO 0.06 0.61 -1.29 2.35 -1.16 0.00 0.00 179.01 179.59 1x5d h TRP 47 N 0.27 0.93 -0.12 4.33 2.91 -0.08 -2.75 115.95 121.43 1x5d h TRP 47 Ca 0.03 -0.64 0.01 0.00 1.13 0.00 0.00 58.89 59.42 1x5d h TRP 47 Cb 0.72 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 29.31 1x5d h TRP 47 CO 0.02 1.49 0.04 0.00 -1.03 0.00 0.00 178.44 178.95 1x5d h ALA 48 N 0.18 0.13 -0.36 2.65 0.00 -1.37 -1.83 119.26 118.66 1x5d h ALA 48 Ca -0.22 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1x5d h ALA 48 Cb 1.99 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1x5d h ALA 48 CO 0.24 -0.42 0.09 0.00 0.00 0.00 0.00 179.25 179.17 1x5d h ALA 49 N 1.07 0.47 -0.80 0.00 0.00 -1.54 -2.95 119.26 115.52 1x5d h ALA 49 Ca 0.05 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 54.91 1x5d h ALA 49 Cb 0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 1x5d h ALA 49 CO -0.05 0.13 0.40 0.00 0.00 0.00 0.00 179.25 179.73 1x5d h ALA 50 N 0.94 1.16 -0.50 0.00 0.00 -1.28 -0.92 119.26 118.66 1x5d h ALA 50 Ca 0.11 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.19 1x5d h ALA 50 Cb 0.29 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1x5d h ALA 50 CO -0.00 -0.07 0.06 0.00 0.00 0.00 0.00 179.25 179.24 1x5d h ALA 51 N 1.51 0.52 -0.53 0.00 0.00 -1.16 0.45 119.26 120.06 1x5d h ALA 51 Ca 0.42 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.33 1x5d h ALA 51 Cb 0.54 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1x5d h ALA 51 CO -0.33 -0.35 -0.14 1.03 0.00 0.00 0.00 179.25 179.47 1x5d h SER 52 N 0.18 1.04 0.90 0.00 0.87 -1.28 -0.50 113.55 114.76 1x5d h SER 52 Ca 0.25 -0.36 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1x5d h SER 52 Cb 0.36 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1x5d h SER 52 CO -0.37 1.16 0.00 1.21 -0.53 0.00 0.00 176.83 178.30 1x5d n GLU 53 N -4.14 0.20 -0.04 2.24 2.13 -0.45 -1.99 120.64 118.59 1x5d n GLU 53 Ca 0.01 0.35 -0.21 0.00 0.66 0.00 0.00 57.16 57.97 1x5d n GLU 53 Cb 0.42 -1.83 -0.13 0.00 0.27 0.00 0.00 31.44 30.17 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 -2.19 1.69 0.26 6.31 0.31 0.15 -3.66 118.33 121.20 1x5d n VAL 54 Ca 0.03 -0.56 0.15 0.00 -0.01 0.00 0.00 64.34 63.96 1x5d n VAL 54 Cb 0.28 -1.72 0.53 0.00 -0.91 0.00 0.00 33.84 32.02 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 -0.10 0.00 0.00 5.55 2.10 -1.05 0.31 116.57 123.37 1x5d h LYS 55 Ca -0.46 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.00 1x5d h LYS 55 Cb 1.91 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.21 1x5d h LYS 55 CO 0.00 0.03 -0.98 1.05 -2.00 0.00 0.00 179.45 177.55 1x5d h GLU 56 N 0.00 0.00 0.03 0.07 4.11 -1.56 0.59 114.58 117.82 1x5d h GLU 56 Ca -0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 59.06 1x5d h GLU 56 Cb 0.66 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 1x5d h GLU 56 CO 0.00 0.79 -2.24 1.04 0.07 0.00 0.00 179.01 178.67 1x5d n GLN 57 N -3.26 0.68 -0.26 1.06 6.02 -1.10 -4.19 117.38 116.32 1x5d n GLN 57 Ca -0.02 0.16 0.02 0.00 -0.01 0.00 0.00 57.00 57.15 1x5d n GLN 57 Cb 0.90 -1.60 0.11 0.00 1.02 0.00 0.00 30.24 30.67 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 -3.18 0.83 -2.12 5.09 -2.24 0.11 -4.84 114.28 107.93 1x5d n THR 58 Ca -0.36 -0.41 -0.12 0.00 -2.27 0.00 0.00 64.05 60.89 1x5d n THR 58 Cb 1.05 -0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 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 0.17 -1.96 -1.34 -0.78 4.76 -1.19 0.65 118.16 118.48 1x5d n LYS 59 Ca 0.08 0.61 -0.02 0.00 -2.87 0.00 0.00 58.31 56.12 1x5d n LYS 59 Cb 0.54 -5.10 -0.01 0.00 -1.84 0.00 0.00 35.03 28.62 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 -0.62 0.44 0.03 0.72 0.00 0.21 -4.97 105.19 100.99 1x5d n GLY 60 Ca -0.13 -0.96 -0.01 0.00 0.00 0.00 0.00 46.02 44.91 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 0.00 0.00 -6.49 1.61 1.63 -0.04 -3.44 116.57 109.84 1x5d h LYS 61 Ca -0.03 0.00 -0.56 0.00 -0.85 0.00 0.00 60.65 59.20 1x5d h LYS 61 Cb 0.38 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.96 1x5d h LYS 61 CO 0.05 0.00 1.10 0.08 -3.45 0.00 0.00 179.45 177.22 1x5d s VAL 62 N -1.47 3.84 -0.06 2.00 1.01 -1.26 -4.10 120.40 120.36 1x5d s VAL 62 Ca -0.04 0.83 -0.13 0.00 0.00 0.00 0.00 61.98 62.64 1x5d s VAL 62 Cb 0.01 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1x5d s VAL 62 CO 0.06 -0.80 0.33 -0.54 0.00 0.00 0.00 175.10 174.15 1x5d s LYS 63 N 5.12 3.89 -0.22 2.72 1.02 0.17 -4.29 119.74 128.15 1x5d s LYS 63 Ca 0.62 0.23 -0.07 0.00 0.02 0.00 0.00 55.97 56.77 1x5d s LYS 63 Cb -0.14 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 1x5d s LYS 63 CO 0.32 0.60 0.05 -0.51 -0.92 0.00 0.00 175.35 174.88 1x5d s LEU 64 N -0.70 3.45 0.19 3.17 1.02 -1.26 -0.33 118.68 124.23 1x5d s LEU 64 Ca 0.20 -0.15 0.08 0.00 0.02 0.00 0.00 54.13 54.29 1x5d s LEU 64 Cb -0.15 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.12 1x5d s LEU 64 CO 0.09 0.04 -0.16 0.00 0.02 0.00 0.00 176.35 176.35 1x5d s ALA 65 N 1.16 2.02 0.19 4.21 0.00 0.77 -1.82 121.76 128.30 1x5d s ALA 65 Ca 0.04 -1.61 0.11 0.00 0.00 0.00 0.00 51.96 50.50 1x5d s ALA 65 Cb -0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1x5d s ALA 65 CO 0.03 0.12 -0.23 0.00 0.00 0.00 0.00 175.76 175.68 1x5d s ALA 66 N -2.66 2.42 0.03 0.00 0.00 0.13 -1.25 121.76 120.43 1x5d s ALA 66 Ca 0.20 -1.61 0.02 0.00 0.00 0.00 0.00 51.96 50.57 1x5d s ALA 66 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1x5d s ALA 66 CO 0.07 0.39 -0.06 0.08 0.00 0.00 0.00 175.76 176.24 1x5d s VAL 67 N -1.74 0.42 -0.53 0.00 1.01 0.67 -2.26 120.40 117.96 1x5d s VAL 67 Ca 0.20 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.10 1x5d s VAL 67 Cb -0.08 -0.49 0.13 0.00 0.00 0.00 0.00 36.38 35.94 1x5d s VAL 67 CO 0.09 -0.35 0.48 -1.81 0.00 0.00 0.00 175.10 173.52 1x5d s ASP 68 N -1.36 6.12 0.31 3.32 1.01 -1.26 -1.49 116.67 123.31 1x5d s ASP 68 Ca -0.10 -1.83 0.19 0.00 0.71 0.00 0.00 52.55 51.52 1x5d s ASP 68 Cb -0.09 -2.18 1.01 0.00 1.01 0.00 0.00 42.92 42.67 1x5d s ASP 68 CO 0.00 -0.83 1.54 0.00 0.21 0.00 0.00 175.17 176.10 1x5d n ALA 69 N 5.16 0.94 0.18 5.23 0.00 -1.19 -0.48 120.51 130.35 1x5d n ALA 69 Ca -0.12 0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.54 1x5d n ALA 69 Cb 0.40 -1.17 0.33 0.00 0.00 0.00 0.00 19.45 19.01 1x5d n ALA 69 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1x5d h THR 70 N 0.00 0.99 0.00 0.00 1.35 -1.91 -3.34 112.91 110.01 1x5d h THR 70 Ca 0.00 -1.55 -0.13 0.00 -0.55 0.00 0.00 66.41 64.19 1x5d h THR 70 Cb 0.15 1.91 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 1x5d h THR 70 CO 0.00 0.39 -1.48 0.55 -0.25 0.00 0.00 175.52 174.74 1x5d n VAL 71 N -3.63 0.48 -2.41 6.82 3.14 0.06 -4.94 118.33 117.85 1x5d n VAL 71 Ca -0.01 -0.24 -0.42 0.00 -2.96 0.00 0.00 64.34 60.72 1x5d n VAL 71 Cb 0.50 -0.81 -0.02 0.00 -1.06 0.00 0.00 33.84 32.45 1x5d n VAL 71 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1x5d s ASN 72 N -4.36 6.22 -0.14 6.55 0.01 0.37 -4.80 114.94 118.78 1x5d s ASN 72 Ca -0.08 0.40 0.12 0.00 -0.71 0.00 0.00 52.86 52.58 1x5d s ASN 72 Cb 0.03 -2.55 -0.17 0.00 0.41 0.00 0.00 41.25 38.97 1x5d s ASN 72 CO 0.24 -1.61 0.04 0.00 -1.51 0.00 0.00 177.10 174.25 1x5d n GLN 73 N 8.48 1.71 -0.27 -0.60 1.13 -1.26 -3.72 117.38 122.85 1x5d n GLN 73 Ca 0.13 -0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1x5d n GLN 73 Cb 0.49 -1.35 0.20 0.00 0.11 0.00 0.00 30.24 29.69 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 1.21 0.00 5.09 2.07 -1.94 -2.08 116.25 120.60 1x5d h VAL 74 Ca -0.37 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1x5d h VAL 74 Cb 1.83 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1x5d h VAL 74 CO 0.02 0.21 -0.57 -0.07 0.02 0.00 0.00 177.57 177.17 1x5d h LEU 75 N 1.13 0.00 -1.00 2.57 3.38 -1.91 -2.88 115.31 116.60 1x5d h LEU 75 Ca 0.30 -0.20 0.34 0.00 0.09 0.00 0.00 57.88 58.42 1x5d h LEU 75 Cb -0.13 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 40.44 1x5d h LEU 75 CO -0.07 0.91 0.28 0.00 0.09 0.00 0.00 178.44 179.65 1x5d h ALA 76 N -0.80 1.66 0.19 1.53 0.00 -1.64 0.59 119.26 120.78 1x5d h ALA 76 Ca -0.09 0.31 -0.32 0.00 0.00 0.00 0.00 54.91 54.81 1x5d h ALA 76 Cb 0.65 0.47 0.03 0.00 0.00 0.00 0.00 17.79 18.95 1x5d h ALA 76 CO -0.05 -0.76 -1.36 0.77 0.00 0.00 0.00 179.25 177.84 1x5d h SER 77 N 0.01 0.86 -0.60 0.00 0.02 -1.54 0.84 113.55 113.14 1x5d h SER 77 Ca 0.72 -0.86 0.12 0.00 -0.84 0.00 0.00 61.79 60.93 1x5d h SER 77 Cb 1.73 -0.28 -0.12 0.00 0.14 0.00 0.00 62.40 63.88 1x5d h SER 77 CO -0.85 1.66 -0.24 -0.09 -1.14 0.00 0.00 176.83 176.17 1x5d h ARG 78 N 0.21 -0.08 0.00 3.45 2.43 0.38 -2.61 114.38 118.16 1x5d h ARG 78 Ca -0.22 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 1x5d h ARG 78 Cb 2.04 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.61 1x5d h ARG 78 CO 0.26 -0.05 -1.99 0.66 -1.51 0.00 0.00 179.97 177.33 1x5d n TYR 79 N -5.44 0.00 -1.59 2.20 4.02 -0.70 -5.03 117.16 110.63 1x5d n TYR 79 Ca 0.06 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1x5d n TYR 79 Cb 0.34 -0.53 0.00 0.00 -0.02 0.00 0.00 39.34 39.14 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 1.37 0.84 0.00 2.72 0.00 0.26 -5.03 105.19 105.34 1x5d n GLY 80 Ca -0.07 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1x5d n GLY 80 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x5d n ILE 81 N -1.44 0.00 -1.92 -0.61 2.08 0.88 -4.75 119.36 113.61 1x5d n ILE 81 Ca -0.00 1.34 0.00 0.00 0.56 0.00 0.00 62.75 64.65 1x5d n ILE 81 Cb 0.50 -2.32 0.00 0.00 -0.75 0.00 0.00 39.64 37.07 1x5d n ILE 81 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1x5d n ARG 82 N -1.53 -2.26 -3.14 0.38 1.74 -1.26 -4.74 116.66 105.85 1x5d n ARG 82 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 1x5d n ARG 82 Cb 0.00 -4.10 -0.01 0.00 -1.02 0.00 0.00 32.46 27.33 1x5d n ARG 82 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1x5d s GLY 83 N -1.58 -1.21 0.17 -0.13 0.00 -1.26 -5.15 107.32 98.15 1x5d s GLY 83 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 44.72 44.81 1x5d s GLY 83 CO 0.00 3.63 0.24 -1.36 0.00 0.00 0.00 173.10 175.60 1x5d s PHE 84 N 1.66 3.35 0.92 1.90 0.08 -1.26 -4.16 117.98 120.47 1x5d s PHE 84 Ca 0.19 0.05 -0.12 0.00 0.12 0.00 0.00 56.93 57.17 1x5d s PHE 84 Cb -0.04 -1.60 0.14 0.00 -0.57 0.00 0.00 43.02 40.96 1x5d s PHE 84 CO -0.07 0.51 1.09 -1.25 -0.10 0.00 0.00 175.22 175.41 1x5d s PRO 85 N -3.27 1.09 -0.02 0.24 0.04 -1.26 -4.87 135.00 126.95 1x5d s PRO 85 Ca 0.33 0.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.11 1x5d s PRO 85 Cb -0.10 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1x5d s PRO 85 CO 0.27 -2.34 0.07 0.99 0.04 0.00 0.00 177.00 176.03 1x5d s THR 86 N -2.94 0.02 -0.07 1.26 2.01 0.55 -4.98 115.64 111.49 1x5d s THR 86 Ca 0.64 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 62.44 1x5d s THR 86 Cb -0.18 -0.17 0.03 0.00 0.01 0.00 0.00 72.50 72.18 1x5d s THR 86 CO 0.57 -0.11 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.74 1x5d s ILE 87 N -0.31 0.55 0.05 1.82 1.01 -1.26 -0.46 121.20 122.61 1x5d s ILE 87 Ca -0.04 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.63 1x5d s ILE 87 Cb -0.03 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 1x5d s ILE 87 CO 0.00 0.27 -0.13 -0.54 0.00 0.00 0.00 174.94 174.55 1x5d s LYS 88 N 1.61 0.78 -0.06 2.79 -0.14 0.10 -1.80 119.74 123.02 1x5d s LYS 88 Ca 0.00 -0.84 0.03 0.00 -1.36 0.00 0.00 55.97 53.81 1x5d s LYS 88 Cb -0.13 -0.75 -0.02 0.00 -1.68 0.00 0.00 37.83 35.25 1x5d s LYS 88 CO -0.04 0.17 -0.14 0.42 -0.76 0.00 0.00 175.35 174.99 1x5d s ILE 89 N -1.13 3.03 -0.10 2.17 1.09 -1.09 -1.22 121.20 123.95 1x5d s ILE 89 Ca -0.02 -0.72 0.00 0.00 -1.10 0.00 0.00 60.65 58.81 1x5d s ILE 89 Cb -0.09 -2.20 0.02 0.00 -1.06 0.00 0.00 42.46 39.13 1x5d s ILE 89 CO 0.02 0.58 -0.08 -0.36 -0.10 0.00 0.00 174.94 175.00 1x5d s PHE 90 N -0.52 1.38 0.23 3.97 0.40 -1.06 -1.46 117.98 120.91 1x5d s PHE 90 Ca 0.07 -0.62 0.10 0.00 -0.60 0.00 0.00 56.93 55.87 1x5d s PHE 90 Cb -0.12 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 1x5d s PHE 90 CO 0.01 -0.43 -0.07 -0.65 0.70 0.00 0.00 175.22 174.78 1x5d s GLN 91 N 1.45 2.11 -0.53 0.44 1.11 -1.26 -2.10 119.66 120.88 1x5d s GLN 91 Ca -0.00 -1.40 -0.26 0.00 0.01 0.00 0.00 55.36 53.70 1x5d s GLN 91 Cb -0.13 -2.11 0.03 0.00 -1.01 0.00 0.00 33.01 29.79 1x5d s GLN 91 CO -0.05 0.39 1.05 0.21 0.01 0.00 0.00 175.29 176.90 1x5d s LYS 92 N -3.28 3.49 0.00 2.91 2.47 -1.26 -3.82 119.74 120.25 1x5d s LYS 92 Ca 0.28 0.12 0.00 0.00 -1.56 0.00 0.00 55.97 54.82 1x5d s LYS 92 Cb -0.07 -3.99 0.00 0.00 -1.46 0.00 0.00 37.83 32.31 1x5d s LYS 92 CO 0.17 -1.48 0.00 0.41 0.16 0.00 0.00 175.35 174.61 1x5d n GLY 93 N 5.02 3.30 4.00 5.54 0.00 -1.26 -5.05 105.19 116.74 1x5d n GLY 93 Ca 0.06 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.86 1x5d n GLY 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5d s GLU 94 N 0.00 2.70 0.42 1.61 -1.05 -1.25 -4.79 118.70 116.34 1x5d s GLU 94 Ca 0.00 -1.35 -0.15 0.00 -0.15 0.00 0.00 54.97 53.32 1x5d s GLU 94 Cb 0.00 -2.69 -0.08 0.00 -0.44 0.00 0.00 34.13 30.92 1x5d s GLU 94 CO 0.00 -0.36 0.84 -1.54 0.95 0.00 0.00 175.26 175.15 1x5d s SER 95 N -4.38 6.67 0.52 0.83 1.04 -1.26 -4.37 113.70 112.75 1x5d s SER 95 Ca 0.55 1.36 -0.20 0.00 0.48 0.00 0.00 55.95 58.14 1x5d s SER 95 Cb -0.08 -2.42 -0.06 0.00 0.10 0.00 0.00 66.02 63.56 1x5d s SER 95 CO 0.33 -0.39 1.14 -2.16 0.98 0.00 0.00 173.24 173.14 1x5d s PRO 96 N -3.58 3.47 0.47 4.02 0.04 -1.26 -4.69 135.00 133.48 1x5d s PRO 96 Ca 0.56 1.66 0.07 0.00 0.04 0.00 0.00 61.00 63.32 1x5d s PRO 96 Cb -0.10 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1x5d s PRO 96 CO 0.25 -0.76 0.39 0.14 0.04 0.00 0.00 177.00 177.06 1x5d s VAL 97 N -1.71 2.21 -0.37 -0.36 -7.23 -0.53 -4.94 120.40 107.47 1x5d s VAL 97 Ca 0.70 -1.42 -0.03 0.00 -1.81 0.00 0.00 61.98 59.43 1x5d s VAL 97 Cb -0.25 -2.63 0.09 0.00 0.56 0.00 0.00 36.38 34.14 1x5d s VAL 97 CO 0.29 0.00 0.14 -1.81 -0.31 0.00 0.00 175.10 173.40 1x5d s ASP 98 N -4.19 5.15 -0.25 4.85 1.11 -1.26 -2.69 116.67 119.38 1x5d s ASP 98 Ca 0.43 -1.76 -0.29 0.00 0.18 0.00 0.00 52.55 51.11 1x5d s ASP 98 Cb -0.02 -1.79 -0.03 0.00 1.07 0.00 0.00 42.92 42.15 1x5d s ASP 98 CO 0.25 -0.44 1.83 -0.47 1.18 0.00 0.00 175.17 177.53 1x5d s TYR 99 N 1.18 1.74 -0.43 4.23 6.14 -0.74 -4.94 117.35 124.52 1x5d s TYR 99 Ca 0.04 0.51 0.03 0.00 0.64 0.00 0.00 57.07 58.29 1x5d s TYR 99 Cb -0.22 -4.06 0.13 0.00 0.42 0.00 0.00 41.96 38.23 1x5d s TYR 99 CO -0.03 -3.33 0.20 -0.51 0.64 0.00 0.00 175.55 172.52 1x5d s ASP 100 N 5.85 4.02 0.00 4.32 1.01 -1.26 -4.52 116.67 126.09 1x5d s ASP 100 Ca 0.82 -2.56 0.00 0.00 0.71 0.00 0.00 52.55 51.52 1x5d s ASP 100 Cb -0.26 -1.26 0.00 0.00 1.01 0.00 0.00 42.92 42.41 1x5d s ASP 100 CO 0.33 -0.29 0.00 0.61 0.21 0.00 0.00 175.17 176.03 1x5d n GLY 101 N 3.66 1.62 3.70 0.21 0.00 -1.26 -5.13 105.19 108.00 1x5d n GLY 101 Ca 0.06 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1x5d n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x5d s GLY 102 N 0.00 1.84 -0.17 -0.02 0.00 -1.26 -4.89 107.32 102.82 1x5d s GLY 102 Ca 0.00 1.04 0.07 0.00 0.00 0.00 0.00 44.72 45.83 1x5d s GLY 102 CO 0.00 2.52 1.31 -0.96 0.00 0.00 0.00 173.10 175.97 1x5d n ARG 103 N 4.86 3.00 -3.84 2.90 -4.01 -1.26 -3.94 116.66 114.37 1x5d n ARG 103 Ca 0.13 -1.86 -0.36 0.00 -1.04 0.00 0.00 57.85 54.72 1x5d n ARG 103 Cb 0.42 -1.91 -0.07 0.00 -3.04 0.00 0.00 32.46 27.87 1x5d n ARG 103 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 1x5d s THR 104 N -2.03 5.44 0.30 8.89 -4.23 -1.26 -4.80 115.64 117.95 1x5d s THR 104 Ca 0.33 0.19 0.14 0.00 -1.18 0.00 0.00 61.69 61.16 1x5d s THR 104 Cb 0.26 -3.41 0.31 0.00 1.34 0.00 0.00 72.50 70.99 1x5d s THR 104 CO 0.09 0.56 1.31 -2.11 -0.54 0.00 0.00 174.62 173.93 1x5d n ARG 105 N 2.51 -0.05 0.07 3.99 1.85 -1.21 0.18 116.66 124.00 1x5d n ARG 105 Ca -0.19 1.17 -0.15 0.00 -1.00 0.00 0.00 57.85 57.69 1x5d n ARG 105 Cb 0.54 -2.05 -0.09 0.00 -1.05 0.00 0.00 32.46 29.81 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 -1.51 0.20 2.89 0.02 -1.93 0.50 113.55 113.71 1x5d h SER 106 Ca 0.66 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.77 1x5d h SER 106 Cb 1.67 0.57 0.00 0.00 0.14 0.00 0.00 62.40 64.79 1x5d h SER 106 CO -0.68 -0.52 -0.10 0.44 -1.14 0.00 0.00 176.83 174.84 1x5d h ASP 107 N -0.67 -0.23 -0.98 3.07 5.19 -0.54 -1.91 116.42 120.35 1x5d h ASP 107 Ca 0.02 -0.28 0.34 0.00 -0.62 0.00 0.00 57.03 56.49 1x5d h ASP 107 Cb 0.72 0.06 -0.17 0.00 0.18 0.00 0.00 39.33 40.12 1x5d h ASP 107 CO -0.33 0.20 0.43 0.40 -3.12 0.00 0.00 179.24 176.83 1x5d h ILE 108 N -0.72 0.13 -0.01 0.35 2.04 -0.90 0.20 117.51 118.60 1x5d h ILE 108 Ca -0.03 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 1x5d h ILE 108 Cb 0.50 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1x5d h ILE 108 CO 0.05 0.02 -0.17 0.58 0.00 0.00 0.00 178.15 178.62 1x5d h VAL 109 N 0.12 1.54 -1.03 1.67 2.07 -0.87 -2.88 116.25 116.87 1x5d h VAL 109 Ca 0.74 -1.83 0.26 0.00 0.82 0.00 0.00 66.70 66.69 1x5d h VAL 109 Cb 1.77 2.69 -0.09 0.00 -1.52 0.00 0.00 31.29 34.14 1x5d h VAL 109 CO -0.73 0.50 0.66 -1.28 0.02 0.00 0.00 177.57 176.73 1x5d h SER 110 N -0.53 0.47 0.12 0.57 0.87 0.17 -1.22 113.55 113.99 1x5d h SER 110 Ca -0.02 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 1x5d h SER 110 Cb 0.90 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1x5d h SER 110 CO 0.03 0.10 -0.06 -0.09 -0.53 0.00 0.00 176.83 176.29 1x5d h ARG 111 N 0.42 -0.15 -1.03 2.24 9.65 -1.15 -3.19 114.38 121.16 1x5d h ARG 111 Ca 0.59 0.01 0.32 0.00 -1.10 0.00 0.00 59.98 59.80 1x5d h ARG 111 Cb 1.45 0.03 -0.14 0.00 -1.39 0.00 0.00 29.97 29.93 1x5d h ARG 111 CO -0.30 0.33 0.61 0.00 2.80 0.00 0.00 179.97 183.41 1x5d h ALA 112 N -0.09 2.03 0.16 2.80 0.00 -1.02 0.10 119.26 123.24 1x5d h ALA 112 Ca -0.02 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1x5d h ALA 112 Cb 0.55 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1x5d h ALA 112 CO 0.03 -0.61 -0.08 -0.07 0.00 0.00 0.00 179.25 178.52 1x5d h LEU 113 N 0.34 -0.18 -0.95 0.00 3.38 -1.40 0.12 115.31 116.62 1x5d h LEU 113 Ca 0.72 -0.04 0.28 0.00 0.09 0.00 0.00 57.88 58.94 1x5d h LEU 113 Cb 1.69 0.05 -0.17 0.00 0.09 0.00 0.00 40.66 42.32 1x5d h LEU 113 CO -0.55 -0.08 0.18 -0.78 0.09 0.00 0.00 178.44 177.30 1x5d h ASP 114 N -0.26 -0.19 0.11 -0.43 1.82 -0.78 0.13 116.42 116.83 1x5d h ASP 114 Ca -0.02 0.25 -0.19 0.00 -0.39 0.00 0.00 57.03 56.68 1x5d h ASP 114 Cb 0.20 0.38 0.02 0.00 0.68 0.00 0.00 39.33 40.61 1x5d h ASP 114 CO 0.04 -0.30 -0.81 -0.07 -1.61 0.00 0.00 179.24 176.48 1x5d h LEU 115 N 0.07 0.51 -0.99 2.28 3.38 -1.40 -3.25 115.31 115.91 1x5d h LEU 115 Ca 0.62 -0.91 0.32 0.00 0.09 0.00 0.00 57.88 58.01 1x5d h LEU 115 Cb 1.36 -0.16 -0.15 0.00 0.09 0.00 0.00 40.66 41.80 1x5d h LEU 115 CO -0.81 1.38 0.54 0.15 0.09 0.00 0.00 178.44 179.79 1x5d h PHE 116 N -0.27 0.89 -0.20 1.13 3.57 0.19 0.78 116.94 123.03 1x5d h PHE 116 Ca -0.13 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.25 1x5d h PHE 116 Cb 1.60 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 1x5d h PHE 116 CO 0.18 -0.19 -0.51 0.66 -2.23 0.00 0.00 178.31 176.23 1x5d h SER 117 N 0.31 0.61 0.40 0.41 4.64 -1.31 0.57 113.55 119.19 1x5d h SER 117 Ca 0.72 -0.31 -0.02 0.00 -0.47 0.00 0.00 61.79 61.71 1x5d h SER 117 Cb 1.64 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1x5d h SER 117 CO -0.61 1.01 -0.19 0.44 -0.87 0.00 0.00 176.83 176.61 1x5d h ASP 118 N 0.44 -0.45 0.00 4.97 3.32 0.51 -3.39 116.42 121.82 1x5d h ASP 118 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1x5d h ASP 118 Cb 1.04 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1x5d h ASP 118 CO 0.10 -0.31 -0.23 -0.55 -1.72 0.00 0.00 179.24 176.53 1x5d h ASN 119 N -0.56 0.00 -3.77 6.45 7.08 -1.34 -3.45 115.58 120.00 1x5d h ASN 119 Ca -0.05 0.00 -0.56 0.00 -3.08 0.00 0.00 56.30 52.61 1x5d h ASN 119 Cb 0.42 0.00 0.17 0.00 -2.08 0.00 0.00 38.32 36.84 1x5d h ASN 119 CO 0.09 0.37 0.14 0.00 -2.08 0.00 0.00 177.43 175.95 1x5d n ALA 120 N -2.90 -0.04 -2.09 4.14 0.00 0.20 -4.87 120.51 114.95 1x5d n ALA 120 Ca -0.03 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 1x5d n ALA 120 Cb 0.12 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 1x5d n ALA 120 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x5d s PRO 121 N -3.24 3.43 0.80 0.00 0.04 -1.26 -4.33 135.00 130.45 1x5d s PRO 121 Ca 0.75 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 1x5d s PRO 121 Cb -0.36 -4.14 0.08 0.00 0.04 0.00 0.00 34.50 30.11 1x5d s PRO 121 CO 0.49 -1.74 1.09 -1.25 0.04 0.00 0.00 177.00 175.63 1x5d s PRO 122 N 5.41 2.00 0.33 0.56 0.04 -1.26 -5.01 135.00 137.07 1x5d s PRO 122 Ca 0.75 1.08 -0.06 0.00 0.04 0.00 0.00 61.00 62.82 1x5d s PRO 122 Cb -0.21 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.54 1x5d s PRO 122 CO 0.33 -1.80 0.30 -0.35 0.04 0.00 0.00 177.00 175.52 1x5d n PRO 123 N -3.62 -1.60 -1.57 0.56 -0.04 -1.26 -4.79 135.00 122.68 1x5d n PRO 123 Ca 0.09 -0.48 -0.29 0.00 -0.04 0.00 0.00 63.50 62.78 1x5d n PRO 123 Cb 0.54 -0.45 -0.09 0.00 -0.04 0.00 0.00 33.50 33.46 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 -2.42 0.95 -4.11 0.54 0.28 -1.26 -4.84 120.64 109.79 1x5d n GLU 124 Ca 0.04 -1.96 -0.12 0.00 -0.16 0.00 0.00 57.16 54.96 1x5d n GLU 124 Cb 0.16 -3.50 -0.11 0.00 1.43 0.00 0.00 31.44 29.42 1x5d n GLU 124 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1x5d s LEU 125 N 9.84 2.37 0.12 -1.84 1.43 -1.26 -5.11 118.68 124.23 1x5d s LEU 125 Ca 0.71 -0.75 -0.22 0.00 -1.03 0.00 0.00 54.13 52.83 1x5d s LEU 125 Cb 0.03 -0.11 -0.13 0.00 0.03 0.00 0.00 46.19 46.01 1x5d s LEU 125 CO 0.18 -0.33 0.46 0.18 0.23 0.00 0.00 176.35 177.07 1x5d n LEU 126 N 0.80 -0.74 -4.72 1.79 4.77 -1.26 -4.54 117.00 113.09 1x5d n LEU 126 Ca -0.18 0.84 -0.67 0.00 -0.03 0.00 0.00 56.01 55.97 1x5d n LEU 126 Cb 0.57 -0.69 -0.10 0.00 -2.33 0.00 0.00 43.42 40.87 1x5d n LEU 126 CO 0.25 -2.05 1.19 -0.62 -1.33 0.00 0.00 177.39 174.83 1x5d n GLU 127 N 0.81 0.10 -2.82 3.23 1.02 -1.26 -4.88 120.64 116.84 1x5d n GLU 127 Ca 0.14 0.04 -0.35 0.00 -0.02 0.00 0.00 57.16 56.97 1x5d n GLU 127 Cb 0.16 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 29.96 1x5d n GLU 127 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1x5d s SER 128 N 3.19 7.11 -0.52 1.62 0.01 -1.26 -5.02 113.70 118.83 1x5d s SER 128 Ca 1.05 1.73 -0.17 0.00 1.31 0.00 0.00 55.95 59.87 1x5d s SER 128 Cb -1.46 -2.55 0.08 0.00 0.21 0.00 0.00 66.02 62.30 1x5d s SER 128 CO 0.80 -0.22 0.54 -0.83 0.41 0.00 0.00 173.24 173.93 1x5d s GLY 129 N -1.93 1.92 0.38 3.44 0.00 -1.26 -5.06 107.32 104.81 1x5d s GLY 129 Ca 0.56 -2.10 -0.06 0.00 0.00 0.00 0.00 44.72 43.12 1x5d s GLY 129 CO 0.18 1.30 0.34 -1.55 0.00 0.00 0.00 173.10 173.36 1x5d n PRO 130 N 5.70 -1.68 -3.74 2.90 -0.04 -1.26 -4.99 135.00 131.89 1x5d n PRO 130 Ca -0.10 -0.54 -0.13 0.00 -0.04 0.00 0.00 63.50 62.68 1x5d n PRO 130 Cb 0.43 -0.50 -0.09 0.00 -0.04 0.00 0.00 33.50 33.30 1x5d n PRO 130 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x5d s SER 131 N -2.41 -0.29 -0.33 3.54 1.04 -1.26 -5.13 113.70 108.85 1x5d s SER 131 Ca 0.22 0.36 0.03 0.00 0.48 0.00 0.00 55.95 57.04 1x5d s SER 131 Cb -0.02 0.49 0.09 0.00 0.10 0.00 0.00 66.02 66.68 1x5d s SER 131 CO 0.17 -0.34 0.04 -0.44 0.98 0.00 0.00 173.24 173.64 1x5d s SER 132 N -0.78 4.75 0.00 7.02 0.01 -1.26 -5.09 113.70 118.36 1x5d s SER 132 Ca -0.09 -2.04 0.15 0.00 1.31 0.00 0.00 55.95 55.28 1x5d s SER 132 Cb -0.04 -1.63 0.88 0.00 0.21 0.00 0.00 66.02 65.44 1x5d s SER 132 CO 0.03 -0.36 1.30 0.61 0.41 0.00 0.00 173.24 175.23