#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 6.18 0.62 1.61 0.01 -1.26 -5.00 113.70 115.86 1x5d s SER 2 Ca 0.00 0.95 -0.09 0.00 1.31 0.00 0.00 55.95 58.13 1x5d s SER 2 Cb 0.00 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.69 1x5d s SER 2 CO 0.00 -1.54 0.97 -0.44 0.41 0.00 0.00 173.24 172.64 1x5d s SER 3 N 4.67 5.78 0.00 2.44 0.01 -1.26 -4.82 113.70 120.51 1x5d s SER 3 Ca 0.67 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.95 1x5d s SER 3 Cb -0.16 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.06 1x5d s SER 3 CO 0.33 -1.04 0.00 0.61 0.41 0.00 0.00 173.24 173.55 1x5d n GLY 4 N -2.70 1.01 1.98 3.44 0.00 -1.14 -4.66 105.19 103.13 1x5d n GLY 4 Ca 0.05 -1.56 -0.24 0.00 0.00 0.00 0.00 46.02 44.27 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 0.00 5.16 -3.17 1.61 3.41 -1.25 -4.85 113.62 114.52 1x5d n SER 5 Ca 0.00 -3.76 0.05 0.00 -0.26 0.00 0.00 58.87 54.90 1x5d n SER 5 Cb 0.00 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 63.47 1x5d n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x5d s SER 6 N -3.27 -0.43 0.00 4.04 0.15 -1.25 -5.09 113.70 107.84 1x5d s SER 6 Ca 0.52 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1x5d s SER 6 Cb 0.42 1.38 0.00 0.00 -1.71 0.00 0.00 66.02 66.11 1x5d s SER 6 CO 0.03 -0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1x5d n GLY 7 N 5.38 2.47 0.13 9.45 0.00 -1.26 -0.32 105.19 121.04 1x5d n GLY 7 Ca -0.07 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1x5d n GLY 7 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1x5d h ASP 8 N 0.00 0.00 -2.21 1.61 3.58 -1.96 -3.44 116.42 114.00 1x5d h ASP 8 Ca 0.00 -0.05 -0.58 0.00 0.42 0.00 0.00 57.03 56.82 1x5d h ASP 8 Cb 0.00 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.08 1x5d h ASP 8 CO 0.00 0.02 1.10 0.52 -2.88 0.00 0.00 179.24 178.01 1x5d n VAL 9 N -2.51 0.53 -3.63 2.25 0.31 0.56 -4.70 118.33 111.14 1x5d n VAL 9 Ca 0.04 -0.10 -0.31 0.00 -0.01 0.00 0.00 64.34 63.97 1x5d n VAL 9 Cb 0.47 -1.99 -0.04 0.00 -0.91 0.00 0.00 33.84 31.37 1x5d n VAL 9 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1x5d s ILE 10 N 3.60 5.14 -0.17 2.52 1.01 -1.10 -2.89 121.20 129.31 1x5d s ILE 10 Ca 0.88 0.03 -0.04 0.00 0.00 0.00 0.00 60.65 61.52 1x5d s ILE 10 Cb -0.59 -3.64 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 1x5d s ILE 10 CO 0.45 -0.02 -0.03 -0.70 0.00 0.00 0.00 174.94 174.64 1x5d s GLU 11 N -2.80 3.62 0.44 2.79 2.12 -1.26 -1.51 118.70 122.10 1x5d s GLU 11 Ca 0.41 -0.54 0.06 0.00 0.36 0.00 0.00 54.97 55.26 1x5d s GLU 11 Cb -0.12 -2.94 -0.06 0.00 0.26 0.00 0.00 34.13 31.27 1x5d s GLU 11 CO 0.25 0.15 0.02 -0.51 -0.54 0.00 0.00 175.26 174.63 1x5d s LEU 12 N 0.60 2.74 0.00 2.70 1.43 -1.21 -4.85 118.68 120.08 1x5d s LEU 12 Ca -0.03 -1.43 0.04 0.00 -1.03 0.00 0.00 54.13 51.68 1x5d s LEU 12 Cb -0.14 -0.88 -0.01 0.00 0.03 0.00 0.00 46.19 45.18 1x5d s LEU 12 CO 0.02 -0.55 0.13 0.35 0.23 0.00 0.00 176.35 176.53 1x5d n THR 13 N -1.05 0.00 0.17 5.49 -2.24 -1.26 -4.81 114.28 110.57 1x5d n THR 13 Ca -0.08 -1.75 0.10 0.00 -2.27 0.00 0.00 64.05 60.05 1x5d n THR 13 Cb 0.67 0.69 0.63 0.00 -2.10 0.00 0.00 70.33 70.22 1x5d n THR 13 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1x5d h ASP 14 N 1.27 0.05 0.00 3.42 5.19 -1.98 0.33 116.42 124.70 1x5d h ASP 14 Ca -0.22 -0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 55.80 1x5d h ASP 14 Cb 0.88 -0.01 -0.06 0.00 0.18 0.00 0.00 39.33 40.32 1x5d h ASP 14 CO 0.34 0.03 -2.38 -0.67 -3.12 0.00 0.00 179.24 173.44 1x5d n ASP 15 N -4.50 1.94 0.19 6.45 2.03 -1.26 -4.46 116.55 116.93 1x5d n ASP 15 Ca 0.01 0.13 0.06 0.00 0.52 0.00 0.00 54.79 55.50 1x5d n ASP 15 Cb 0.21 -0.59 0.53 0.00 -0.72 0.00 0.00 41.12 40.56 1x5d n ASP 15 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1x5d h SER 16 N -0.53 0.11 -1.01 1.67 0.02 -1.92 -2.41 113.55 109.48 1x5d h SER 16 Ca -0.59 -0.01 0.28 0.00 -0.84 0.00 0.00 61.79 60.63 1x5d h SER 16 Cb 1.66 -0.03 -0.13 0.00 0.14 0.00 0.00 62.40 64.04 1x5d h SER 16 CO -0.26 0.16 0.59 0.15 -1.14 0.00 0.00 176.83 176.33 1x5d h PHE 17 N 0.12 0.97 0.08 3.45 3.04 -0.55 0.98 116.94 125.03 1x5d h PHE 17 Ca 0.03 0.04 -0.27 0.00 3.98 0.00 0.00 57.97 61.75 1x5d h PHE 17 Cb 0.13 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.35 1x5d h PHE 17 CO 0.00 -0.03 -1.43 0.38 -2.02 0.00 0.00 178.31 175.21 1x5d h ASP 18 N 0.48 0.28 0.21 0.41 3.04 -1.69 -2.25 116.42 116.89 1x5d h ASP 18 Ca 0.68 -0.79 0.00 0.00 -3.24 0.00 0.00 57.03 53.68 1x5d h ASP 18 Cb 1.42 -0.09 0.00 0.00 -1.04 0.00 0.00 39.33 39.62 1x5d h ASP 18 CO -0.52 1.61 0.00 0.11 -2.04 0.00 0.00 179.24 178.40 1x5d h LYS 19 N -0.44 0.00 0.00 4.15 1.57 -0.98 0.78 116.57 121.65 1x5d h LYS 19 Ca -0.33 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.38 1x5d h LYS 19 Cb 1.67 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 1x5d h LYS 19 CO -0.01 0.00 -1.88 0.09 -0.57 0.00 0.00 179.45 177.09 1x5d n ASN 20 N -2.82 1.01 -0.04 0.86 3.02 0.33 -4.10 115.26 113.52 1x5d n ASN 20 Ca -0.02 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.49 1x5d n ASN 20 Cb 0.11 1.57 -0.01 0.00 -0.61 0.00 0.00 39.78 40.83 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 -2.23 0.77 0.00 2.41 0.31 -0.65 -4.36 118.33 114.58 1x5d n VAL 21 Ca -0.09 0.30 0.08 0.00 -0.01 0.00 0.00 64.34 64.62 1x5d n VAL 21 Cb 0.60 -1.89 0.49 0.00 -0.91 0.00 0.00 33.84 32.13 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 -0.48 0.35 0.00 7.52 3.38 0.35 0.18 115.31 126.62 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 0.48 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1x5d h LEU 22 CO 0.00 0.24 0.00 -0.67 0.09 0.00 0.00 178.44 178.10 1x5d n ASP 23 N -4.48 0.00 -3.92 -0.43 2.03 -0.76 -4.61 116.55 104.38 1x5d n ASP 23 Ca 0.05 -0.47 -0.20 0.00 0.52 0.00 0.00 54.79 54.69 1x5d n ASP 23 Cb 0.20 -0.06 -0.16 0.00 -0.72 0.00 0.00 41.12 40.38 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 -2.11 0.99 0.00 1.67 0.15 0.63 -5.00 113.70 110.03 1x5d s SER 24 Ca 0.26 -0.14 0.16 0.00 0.70 0.00 0.00 55.95 56.93 1x5d s SER 24 Cb 0.13 -0.42 0.98 0.00 -1.71 0.00 0.00 66.02 65.00 1x5d s SER 24 CO 0.23 -0.02 1.55 -0.62 1.20 0.00 0.00 173.24 175.58 1x5d n GLU 25 N 3.81 0.88 -2.82 5.44 4.71 -1.26 -4.81 120.64 126.58 1x5d n GLU 25 Ca -0.23 0.00 -0.28 0.00 -0.01 0.00 0.00 57.16 56.64 1x5d n GLU 25 Cb 0.52 -1.29 -0.01 0.00 -1.01 0.00 0.00 31.44 29.64 1x5d n GLU 25 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1x5d s ASP 26 N -1.64 6.36 -0.01 1.62 1.01 -1.26 -4.69 116.67 118.06 1x5d s ASP 26 Ca 0.25 0.93 -0.30 0.00 0.71 0.00 0.00 52.55 54.14 1x5d s ASP 26 Cb 0.11 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.76 1x5d s ASP 26 CO 0.19 -0.47 1.19 -0.69 0.21 0.00 0.00 175.17 175.60 1x5d s VAL 27 N -2.54 4.21 -0.28 -1.27 1.01 -1.26 -4.78 120.40 115.50 1x5d s VAL 27 Ca 0.48 1.56 -0.01 0.00 0.00 0.00 0.00 61.98 64.01 1x5d s VAL 27 Cb -0.10 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.32 1x5d s VAL 27 CO 0.39 0.05 -0.03 0.26 0.00 0.00 0.00 175.10 175.77 1x5d s TRP 28 N 1.71 3.22 -0.48 5.22 0.52 -1.22 -0.78 118.94 127.13 1x5d s TRP 28 Ca 0.57 -1.90 -0.24 0.00 0.02 0.00 0.00 56.10 54.54 1x5d s TRP 28 Cb -0.26 -2.06 0.03 0.00 -1.15 0.00 0.00 33.47 30.03 1x5d s TRP 28 CO 0.25 -0.81 0.89 -1.64 0.02 0.00 0.00 176.95 175.67 1x5d s MET 29 N 1.24 3.44 -0.19 4.98 -1.94 0.45 -3.26 119.30 124.02 1x5d s MET 29 Ca -0.05 -0.03 -0.16 0.00 -1.71 0.00 0.00 55.69 53.74 1x5d s MET 29 Cb -0.19 -3.96 -0.04 0.00 2.01 0.00 0.00 34.83 32.65 1x5d s MET 29 CO -0.02 -1.26 0.42 0.08 -0.01 0.00 0.00 175.02 174.22 1x5d s VAL 30 N 3.67 5.19 -0.34 -6.03 1.01 -0.20 -0.25 120.40 123.45 1x5d s VAL 30 Ca 0.33 0.77 0.02 0.00 0.00 0.00 0.00 61.98 63.10 1x5d s VAL 30 Cb -0.11 -3.75 0.10 0.00 0.00 0.00 0.00 36.38 32.62 1x5d s VAL 30 CO 0.23 0.26 0.08 -0.70 0.00 0.00 0.00 175.10 174.97 1x5d s GLU 31 N 1.23 1.22 0.06 2.72 2.56 -0.68 -0.25 118.70 125.56 1x5d s GLU 31 Ca 0.20 -1.62 -0.30 0.00 0.00 0.00 0.00 54.97 53.25 1x5d s GLU 31 Cb -0.15 -2.77 -0.05 0.00 2.00 0.00 0.00 34.13 33.16 1x5d s GLU 31 CO 0.08 -0.97 1.17 -0.06 -0.56 0.00 0.00 175.26 174.93 1x5d s PHE 32 N 1.10 3.47 0.24 5.30 0.40 -0.19 -2.72 117.98 125.58 1x5d s PHE 32 Ca 0.11 1.36 0.01 0.00 -0.60 0.00 0.00 56.93 57.80 1x5d s PHE 32 Cb -0.19 -3.38 -0.05 0.00 0.51 0.00 0.00 43.02 39.91 1x5d s PHE 32 CO -0.14 -1.11 0.09 1.52 0.70 0.00 0.00 175.22 176.28 1x5d s TYR 33 N 1.02 1.43 -0.07 0.36 -0.85 -0.70 -1.15 117.35 117.38 1x5d s TYR 33 Ca 0.58 -1.20 0.04 0.00 -0.52 0.00 0.00 57.07 55.96 1x5d s TYR 33 Cb -0.28 -0.81 -0.00 0.00 0.38 0.00 0.00 41.96 41.24 1x5d s TYR 33 CO 0.29 -0.38 -0.20 0.00 -1.52 0.00 0.00 175.55 173.73 1x5d s ALA 34 N -3.83 1.84 -0.61 9.51 0.00 -1.26 -3.41 121.76 123.99 1x5d s ALA 34 Ca 0.37 -0.82 0.21 0.00 0.00 0.00 0.00 51.96 51.72 1x5d s ALA 34 Cb 0.08 -0.65 0.89 0.00 0.00 0.00 0.00 23.12 23.43 1x5d s ALA 34 CO 0.12 0.29 1.64 -0.35 0.00 0.00 0.00 175.76 177.46 1x5d n PRO 35 N 3.33 0.14 -0.22 0.00 -0.04 -1.26 -2.23 135.00 134.73 1x5d n PRO 35 Ca -0.19 0.38 0.07 0.00 -0.04 0.00 0.00 63.50 63.73 1x5d n PRO 35 Cb 0.52 -1.78 0.17 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.05 0.42 -4.12 0.54 4.27 -1.26 -4.96 117.44 110.29 1x5d n TRP 36 Ca 0.02 -0.81 -0.33 0.00 -3.89 0.00 0.00 57.50 52.49 1x5d n TRP 36 Cb 0.21 -0.18 -0.16 0.00 -1.36 0.00 0.00 31.31 29.82 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 7.92 -0.42 -0.87 0.00 0.00 -1.93 -1.55 103.07 106.22 1x5d h GLY 38 Ca -0.44 0.42 0.24 0.00 0.00 0.00 0.00 47.33 47.55 1x5d h GLY 38 CO 0.63 -0.21 0.01 1.42 0.00 0.00 0.00 176.54 178.38 1x5d n HIS 39 N -5.41 0.55 0.08 5.60 8.25 -1.26 0.80 115.22 123.82 1x5d n HIS 39 Ca -0.02 1.05 -0.12 0.00 -0.26 0.00 0.00 57.72 58.37 1x5d n HIS 39 Cb 0.33 -1.15 -0.06 0.00 1.12 0.00 0.00 29.99 30.23 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 -0.19 0.09 0.00 0.00 6.56 0.51 0.88 116.57 124.41 1x5d h LYS 41 Ca 0.01 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1x5d h LYS 41 Cb 0.20 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 1x5d h LYS 41 CO -0.05 0.06 0.00 0.09 -2.06 0.00 0.00 179.45 177.49 1x5d n ASN 42 N -5.30 0.56 0.04 0.86 3.02 -0.82 -1.89 115.26 111.72 1x5d n ASN 42 Ca 0.08 0.66 0.09 0.00 -0.03 0.00 0.00 54.58 55.38 1x5d n ASN 42 Cb 0.34 -0.77 -0.09 0.00 -0.61 0.00 0.00 39.78 38.66 1x5d n ASN 42 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1x5d n LEU 43 N -2.14 0.46 -0.10 3.41 7.94 0.27 -4.09 117.00 122.75 1x5d n LEU 43 Ca 0.02 0.18 -0.13 0.00 -1.11 0.00 0.00 56.01 54.96 1x5d n LEU 43 Cb 0.19 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.05 1x5d n LEU 43 CO 0.17 -0.05 0.52 -0.08 -1.11 0.00 0.00 177.39 176.84 1x5d h GLU 44 N 0.00 -0.42 0.00 1.96 4.81 0.12 0.50 114.58 121.54 1x5d h GLU 44 Ca -0.04 0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 1x5d h GLU 44 Cb 1.10 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1x5d h GLU 44 CO 0.01 -0.28 -0.45 -1.00 -0.73 0.00 0.00 179.01 176.56 1x5d h PRO 45 N -0.44 0.00 -0.12 0.92 0.13 -1.77 -0.31 132.00 130.41 1x5d h PRO 45 Ca 0.08 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.08 1x5d h PRO 45 Cb 0.62 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.74 1x5d h PRO 45 CO -0.54 0.45 -0.48 0.93 -0.23 0.00 0.00 178.00 178.12 1x5d h GLU 46 N 0.00 0.32 0.13 0.86 4.39 -1.36 -2.80 114.58 116.11 1x5d h GLU 46 Ca -0.00 -0.18 -0.30 0.00 0.34 0.00 0.00 59.36 59.22 1x5d h GLU 46 Cb 0.83 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1x5d h GLU 46 CO 0.06 0.74 -1.53 2.35 -1.16 0.00 0.00 179.01 179.46 1x5d h TRP 47 N 0.25 0.50 -0.76 4.33 2.91 0.10 -2.97 115.95 120.31 1x5d h TRP 47 Ca 0.01 -0.36 0.13 0.00 1.13 0.00 0.00 58.89 59.80 1x5d h TRP 47 Cb 0.95 -0.02 -0.09 0.00 -0.51 0.00 0.00 29.16 29.49 1x5d h TRP 47 CO 0.02 1.60 0.35 0.00 -1.03 0.00 0.00 178.44 179.38 1x5d h ALA 48 N -0.01 1.09 0.03 2.65 0.00 -1.10 -1.12 119.26 120.80 1x5d h ALA 48 Ca -0.32 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1x5d h ALA 48 Cb 1.85 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1x5d h ALA 48 CO 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 179.25 179.18 1x5d h ALA 49 N 1.52 -0.04 -0.81 0.00 0.00 -1.65 -3.27 119.26 115.01 1x5d h ALA 49 Ca 0.41 -0.32 0.19 0.00 0.00 0.00 0.00 54.91 55.19 1x5d h ALA 49 Cb 0.56 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.23 1x5d h ALA 49 CO -0.36 -0.18 0.05 0.00 0.00 0.00 0.00 179.25 178.76 1x5d h ALA 50 N 0.19 0.91 -0.50 0.00 0.00 -1.31 0.17 119.26 118.72 1x5d h ALA 50 Ca -0.00 0.25 0.09 0.00 0.00 0.00 0.00 54.91 55.25 1x5d h ALA 50 Cb 0.65 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 1x5d h ALA 50 CO 0.01 -0.44 0.04 0.00 0.00 0.00 0.00 179.25 178.86 1x5d h ALA 51 N 1.75 0.51 -0.37 0.00 0.00 -1.29 0.92 119.26 120.78 1x5d h ALA 51 Ca 0.46 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.41 1x5d h ALA 51 Cb 0.84 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1x5d h ALA 51 CO -0.69 -0.36 -0.12 0.77 0.00 0.00 0.00 179.25 178.85 1x5d h SER 52 N 0.16 0.75 0.67 0.00 0.02 -0.84 0.16 113.55 114.47 1x5d h SER 52 Ca 0.25 -0.38 -0.05 0.00 -0.84 0.00 0.00 61.79 60.78 1x5d h SER 52 Cb 0.37 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1x5d h SER 52 CO -0.38 0.96 -0.23 -0.08 -1.14 0.00 0.00 176.83 175.96 1x5d h GLU 53 N 0.54 0.00 0.12 3.45 4.57 -0.08 -1.04 114.58 122.15 1x5d h GLU 53 Ca 0.09 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.01 1x5d h GLU 53 Cb 0.64 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1x5d h GLU 53 CO 0.04 0.23 -1.29 0.28 -1.18 0.00 0.00 179.01 177.10 1x5d h VAL 54 N 0.00 1.13 0.00 0.32 2.07 0.11 -3.12 116.25 116.77 1x5d h VAL 54 Ca -0.00 -2.43 -0.04 0.00 0.82 0.00 0.00 66.70 65.04 1x5d h VAL 54 Cb 0.63 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1x5d h VAL 54 CO 0.03 0.70 -0.20 0.07 0.02 0.00 0.00 177.57 178.20 1x5d h LYS 55 N -0.32 0.00 0.01 1.57 2.10 -0.62 0.27 116.57 119.59 1x5d h LYS 55 Ca -0.27 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.17 1x5d h LYS 55 Cb 1.74 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.04 1x5d h LYS 55 CO 0.08 0.20 -1.01 1.05 -2.00 0.00 0.00 179.45 177.77 1x5d h GLU 56 N 0.00 0.03 0.13 0.07 4.11 -1.30 0.61 114.58 118.23 1x5d h GLU 56 Ca -0.00 -0.05 -0.36 0.00 0.07 0.00 0.00 59.36 59.02 1x5d h GLU 56 Cb 0.64 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1x5d h GLU 56 CO 0.03 1.01 -1.95 1.96 0.07 0.00 0.00 179.01 180.12 1x5d h GLN 57 N 0.01 0.27 -0.86 1.06 4.20 -1.42 -3.34 115.11 115.02 1x5d h GLN 57 Ca -0.02 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.23 1x5d h GLN 57 Cb 1.76 0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.71 1x5d h GLN 57 CO 0.14 1.19 0.00 0.25 -0.67 0.00 0.00 178.83 179.73 1x5d n THR 58 N -3.47 0.32 -1.96 -0.54 -2.24 0.94 -4.82 114.28 102.50 1x5d n THR 58 Ca -0.30 -0.17 -0.12 0.00 -2.27 0.00 0.00 64.05 61.19 1x5d n THR 58 Cb 1.05 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 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 0.05 -1.82 -0.89 -0.78 4.76 -1.18 0.75 118.16 119.05 1x5d n LYS 59 Ca 0.03 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 1x5d n LYS 59 Cb 0.34 -5.06 0.00 0.00 -1.84 0.00 0.00 35.03 28.47 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 -0.54 0.53 0.01 0.72 0.00 0.21 -4.99 105.19 101.12 1x5d n GLY 60 Ca -0.13 -0.86 -0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -6.30 1.61 1.63 0.09 -3.44 116.57 110.15 1x5d h LYS 61 Ca 0.00 0.00 -0.54 0.00 -0.85 0.00 0.00 60.65 59.26 1x5d h LYS 61 Cb 0.09 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.66 1x5d h LYS 61 CO 0.00 0.00 1.16 0.08 -3.45 0.00 0.00 179.45 177.24 1x5d s VAL 62 N -1.16 3.67 0.23 2.00 1.01 -1.26 -4.01 120.40 120.88 1x5d s VAL 62 Ca -0.02 0.53 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 1x5d s VAL 62 Cb 0.00 -4.35 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 1x5d s VAL 62 CO 0.02 -1.16 0.50 -0.54 0.00 0.00 0.00 175.10 173.93 1x5d s LYS 63 N 5.87 3.70 -0.13 2.72 1.02 0.04 -4.19 119.74 128.77 1x5d s LYS 63 Ca 0.55 0.08 0.02 0.00 0.02 0.00 0.00 55.97 56.64 1x5d s LYS 63 Cb -0.11 -2.70 -0.00 0.00 -0.52 0.00 0.00 37.83 34.49 1x5d s LYS 63 CO 0.23 0.33 -0.19 -0.51 -0.92 0.00 0.00 175.35 174.29 1x5d s LEU 64 N -3.02 2.35 0.32 3.17 1.02 -1.26 -0.41 118.68 120.85 1x5d s LEU 64 Ca 0.44 -0.48 0.03 0.00 0.02 0.00 0.00 54.13 54.15 1x5d s LEU 64 Cb -0.11 -1.50 -0.06 0.00 0.02 0.00 0.00 46.19 44.53 1x5d s LEU 64 CO 0.25 0.13 0.07 0.00 0.02 0.00 0.00 176.35 176.82 1x5d s ALA 65 N 0.52 2.32 0.13 4.21 0.00 0.65 -2.73 121.76 126.86 1x5d s ALA 65 Ca -0.12 -1.99 0.05 0.00 0.00 0.00 0.00 51.96 49.90 1x5d s ALA 65 Cb -0.16 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1x5d s ALA 65 CO 0.05 -0.33 -0.12 0.00 0.00 0.00 0.00 175.76 175.35 1x5d s ALA 66 N -3.35 1.46 -0.04 0.00 0.00 -0.57 -1.69 121.76 117.57 1x5d s ALA 66 Ca 0.36 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 1x5d s ALA 66 Cb 0.08 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1x5d s ALA 66 CO 0.15 0.02 0.11 0.08 0.00 0.00 0.00 175.76 176.12 1x5d s VAL 67 N -2.60 -0.00 -0.66 0.00 1.01 -1.10 -3.34 120.40 113.71 1x5d s VAL 67 Ca 0.12 0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 1x5d s VAL 67 Cb -0.02 -0.17 0.08 0.00 0.00 0.00 0.00 36.38 36.27 1x5d s VAL 67 CO 0.02 0.00 0.91 -1.81 0.00 0.00 0.00 175.10 174.22 1x5d s ASP 68 N 0.12 6.20 0.35 3.32 1.11 -1.26 -1.73 116.67 124.77 1x5d s ASP 68 Ca -0.00 -1.15 0.18 0.00 0.18 0.00 0.00 52.55 51.75 1x5d s ASP 68 Cb -0.01 -2.39 0.95 0.00 1.07 0.00 0.00 42.92 42.54 1x5d s ASP 68 CO -0.00 -1.35 1.48 0.00 1.18 0.00 0.00 175.17 176.48 1x5d h ALA 69 N 9.44 1.13 0.00 5.23 0.00 -1.82 0.42 119.26 133.66 1x5d h ALA 69 Ca -0.27 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1x5d h ALA 69 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1x5d h ALA 69 CO 1.16 -0.13 -0.46 1.79 0.00 0.00 0.00 179.25 181.61 1x5d h THR 70 N 0.00 0.83 0.00 0.00 1.35 -1.90 -3.36 112.91 109.84 1x5d h THR 70 Ca 0.00 -2.02 -0.23 0.00 -0.55 0.00 0.00 66.41 63.60 1x5d h THR 70 Cb 0.37 2.30 -0.04 0.00 -1.73 0.00 0.00 68.15 69.05 1x5d h THR 70 CO 0.00 0.45 -1.87 0.52 -0.25 0.00 0.00 175.52 174.37 1x5d n VAL 71 N -3.28 0.88 -2.64 6.82 0.31 0.12 -4.91 118.33 115.62 1x5d n VAL 71 Ca 0.02 -0.39 -0.43 0.00 -0.01 0.00 0.00 64.34 63.53 1x5d n VAL 71 Cb 0.68 -0.94 -0.03 0.00 -0.91 0.00 0.00 33.84 32.64 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 -5.22 6.52 -0.17 4.52 0.01 0.58 -4.83 114.94 116.35 1x5d s ASN 72 Ca -0.17 0.21 0.05 0.00 -0.71 0.00 0.00 52.86 52.24 1x5d s ASN 72 Cb 0.05 -2.53 -0.14 0.00 0.41 0.00 0.00 41.25 39.04 1x5d s ASN 72 CO 0.40 -1.31 -0.10 0.00 -1.51 0.00 0.00 177.10 174.58 1x5d n GLN 73 N 7.96 0.82 -0.30 -0.60 1.13 -1.26 -3.77 117.38 121.36 1x5d n GLN 73 Ca 0.09 0.07 0.01 0.00 -1.94 0.00 0.00 57.00 55.23 1x5d n GLN 73 Cb 0.49 -1.36 0.14 0.00 0.11 0.00 0.00 30.24 29.62 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 1.00 0.00 5.09 2.07 -1.94 -1.09 116.25 121.38 1x5d h VAL 74 Ca -0.40 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1x5d h VAL 74 Cb 1.70 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1x5d h VAL 74 CO -0.04 0.16 -0.06 -0.07 0.02 0.00 0.00 177.57 177.59 1x5d h LEU 75 N 0.90 0.00 -0.99 2.57 3.38 -1.88 -2.60 115.31 116.68 1x5d h LEU 75 Ca 0.37 -0.20 0.35 0.00 0.09 0.00 0.00 57.88 58.50 1x5d h LEU 75 Cb 0.22 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.80 1x5d h LEU 75 CO -0.19 0.63 0.42 0.00 0.09 0.00 0.00 178.44 179.38 1x5d h ALA 76 N -0.80 1.85 -0.02 1.53 0.00 -1.64 0.41 119.26 120.58 1x5d h ALA 76 Ca -0.01 0.26 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 1x5d h ALA 76 Cb 0.25 0.35 0.01 0.00 0.00 0.00 0.00 17.79 18.40 1x5d h ALA 76 CO -0.00 -0.76 -0.57 0.77 0.00 0.00 0.00 179.25 178.68 1x5d h SER 77 N 0.09 0.53 -0.53 0.00 0.02 -1.32 1.61 113.55 113.94 1x5d h SER 77 Ca 0.75 -0.74 0.10 0.00 -0.84 0.00 0.00 61.79 61.06 1x5d h SER 77 Cb 1.83 -0.16 -0.11 0.00 0.14 0.00 0.00 62.40 64.10 1x5d h SER 77 CO -0.76 1.20 -0.32 -0.09 -1.14 0.00 0.00 176.83 175.72 1x5d h ARG 78 N -0.09 -0.18 0.00 3.45 2.43 0.19 -2.47 114.38 117.71 1x5d h ARG 78 Ca -0.07 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 1x5d h ARG 78 Cb 1.27 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 1x5d h ARG 78 CO 0.11 -0.12 -1.73 0.66 -1.51 0.00 0.00 179.97 177.39 1x5d n TYR 79 N -5.43 0.33 -1.48 2.20 4.02 -0.70 -5.04 117.16 111.06 1x5d n TYR 79 Ca 0.03 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1x5d n TYR 79 Cb 0.35 -0.71 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 1.29 -0.57 3.35 2.72 0.00 0.49 -5.03 105.19 107.45 1x5d n GLY 80 Ca -0.06 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.55 4.90 -0.11 -0.61 -1.09 0.19 -4.87 121.20 118.06 1x5d s ILE 81 Ca 0.00 -1.17 0.14 0.00 -2.23 0.00 0.00 60.65 57.39 1x5d s ILE 81 Cb 0.00 -3.95 0.29 0.00 -1.58 0.00 0.00 42.46 37.23 1x5d s ILE 81 CO 0.00 -0.55 1.14 0.54 -1.23 0.00 0.00 174.94 174.84 1x5d n ARG 82 N 5.11 0.94 -3.26 2.79 5.12 -1.26 -4.93 116.66 121.17 1x5d n ARG 82 Ca -0.12 -2.41 -0.05 0.00 -1.93 0.00 0.00 57.85 53.35 1x5d n ARG 82 Cb 0.43 -1.12 -0.03 0.00 -1.16 0.00 0.00 32.46 30.58 1x5d n ARG 82 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1x5d s GLY 83 N -2.50 -0.86 0.27 -0.13 0.00 -1.26 -5.15 107.32 97.70 1x5d s GLY 83 Ca 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 44.72 44.81 1x5d s GLY 83 CO -0.03 3.36 0.52 -1.36 0.00 0.00 0.00 173.10 175.58 1x5d s PHE 84 N 1.74 3.48 0.84 1.90 0.08 -1.26 -4.17 117.98 120.59 1x5d s PHE 84 Ca 0.16 0.56 -0.11 0.00 0.12 0.00 0.00 56.93 57.66 1x5d s PHE 84 Cb -0.08 -2.04 0.10 0.00 -0.57 0.00 0.00 43.02 40.43 1x5d s PHE 84 CO -0.06 0.21 1.09 -1.25 -0.10 0.00 0.00 175.22 175.11 1x5d s PRO 85 N -3.55 1.68 -0.23 0.24 0.04 -1.26 -4.91 135.00 127.00 1x5d s PRO 85 Ca 0.42 0.97 -0.04 0.00 0.04 0.00 0.00 61.00 62.39 1x5d s PRO 85 Cb -0.11 -1.85 0.08 0.00 0.04 0.00 0.00 34.50 32.67 1x5d s PRO 85 CO 0.30 -1.99 0.10 0.99 0.04 0.00 0.00 177.00 176.45 1x5d s THR 86 N -2.92 0.03 -0.28 1.26 2.01 -0.30 -4.95 115.64 110.48 1x5d s THR 86 Ca 0.62 -0.53 -0.16 0.00 0.31 0.00 0.00 61.69 61.94 1x5d s THR 86 Cb -0.18 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.45 1x5d s THR 86 CO 0.57 -0.49 0.41 -0.63 -0.69 0.00 0.00 174.62 173.78 1x5d s ILE 87 N 2.07 5.14 0.05 1.82 1.01 -1.26 -1.02 121.20 129.01 1x5d s ILE 87 Ca 0.05 0.54 0.06 0.00 0.00 0.00 0.00 60.65 61.30 1x5d s ILE 87 Cb -0.16 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 1x5d s ILE 87 CO -0.22 0.08 -0.17 -0.54 0.00 0.00 0.00 174.94 174.09 1x5d s LYS 88 N 2.14 1.05 -0.07 2.79 -0.14 0.65 -1.60 119.74 124.56 1x5d s LYS 88 Ca 0.16 -0.89 0.02 0.00 -1.36 0.00 0.00 55.97 53.90 1x5d s LYS 88 Cb -0.16 -1.12 -0.02 0.00 -1.68 0.00 0.00 37.83 34.85 1x5d s LYS 88 CO 0.10 0.27 -0.13 0.42 -0.76 0.00 0.00 175.35 175.25 1x5d s ILE 89 N -0.95 3.11 -0.15 2.17 1.09 -1.21 -1.04 121.20 124.23 1x5d s ILE 89 Ca 0.03 -0.69 0.01 0.00 -1.10 0.00 0.00 60.65 58.90 1x5d s ILE 89 Cb -0.09 -2.24 0.02 0.00 -1.06 0.00 0.00 42.46 39.09 1x5d s ILE 89 CO 0.02 0.57 -0.16 -0.36 -0.10 0.00 0.00 174.94 174.92 1x5d s PHE 90 N -0.44 2.29 -0.17 3.97 0.40 -1.20 -1.69 117.98 121.14 1x5d s PHE 90 Ca 0.06 -1.28 0.01 0.00 -0.60 0.00 0.00 56.93 55.11 1x5d s PHE 90 Cb -0.12 -1.65 0.01 0.00 0.51 0.00 0.00 43.02 41.77 1x5d s PHE 90 CO 0.02 -0.67 -0.17 -0.65 0.70 0.00 0.00 175.22 174.44 1x5d s GLN 91 N 1.37 3.10 0.20 0.44 -0.21 -1.26 -3.37 119.66 119.92 1x5d s GLN 91 Ca 0.03 -0.79 -0.31 0.00 0.02 0.00 0.00 55.36 54.31 1x5d s GLN 91 Cb -0.13 -2.61 -0.16 0.00 1.00 0.00 0.00 33.01 31.11 1x5d s GLN 91 CO -0.10 -0.10 0.97 1.17 -2.12 0.00 0.00 175.29 175.11 1x5d n LYS 92 N 4.36 0.89 0.00 2.91 3.00 -1.26 -1.06 118.16 127.00 1x5d n LYS 92 Ca -0.20 0.31 0.00 0.00 -0.00 0.00 0.00 58.31 58.42 1x5d n LYS 92 Cb 0.51 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 33.87 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 1.74 1.66 3.96 3.14 0.00 -1.26 -4.95 105.19 109.48 1x5d n GLY 93 Ca 0.14 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 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 3.39 0.62 1.61 0.41 -0.22 -5.10 118.70 119.40 1x5d s GLU 94 Ca 0.00 -0.53 -0.11 0.00 -0.41 0.00 0.00 54.97 53.91 1x5d s GLU 94 Cb 0.00 -2.73 -0.04 0.00 -1.78 0.00 0.00 34.13 29.58 1x5d s GLU 94 CO 0.00 0.17 1.03 -1.12 -0.49 0.00 0.00 175.26 174.85 1x5d s SER 95 N -4.05 6.22 0.69 -0.19 0.01 -1.26 -4.23 113.70 110.88 1x5d s SER 95 Ca 0.40 1.44 -0.14 0.00 1.31 0.00 0.00 55.95 58.96 1x5d s SER 95 Cb -0.09 -2.47 0.02 0.00 0.21 0.00 0.00 66.02 63.68 1x5d s SER 95 CO 0.34 -0.88 1.10 -2.16 0.41 0.00 0.00 173.24 172.05 1x5d s PRO 96 N -5.11 2.63 0.47 12.44 0.04 -1.26 -4.56 135.00 139.66 1x5d s PRO 96 Ca 0.55 1.32 0.03 0.00 0.04 0.00 0.00 61.00 62.94 1x5d s PRO 96 Cb -0.11 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1x5d s PRO 96 CO 0.53 -1.37 0.02 0.14 0.04 0.00 0.00 177.00 176.36 1x5d s VAL 97 N -2.51 1.22 -0.31 -0.36 -7.23 -0.68 -4.99 120.40 105.54 1x5d s VAL 97 Ca 0.65 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1x5d s VAL 97 Cb -0.19 -2.35 0.07 0.00 0.56 0.00 0.00 36.38 34.47 1x5d s VAL 97 CO 0.46 0.00 0.01 -1.81 -0.31 0.00 0.00 175.10 173.45 1x5d s ASP 98 N -3.80 4.81 0.21 4.85 1.11 -1.26 -3.34 116.67 119.26 1x5d s ASP 98 Ca 0.14 -1.60 -0.30 0.00 0.18 0.00 0.00 52.55 50.97 1x5d s ASP 98 Cb 0.03 -1.67 -0.08 0.00 1.07 0.00 0.00 42.92 42.27 1x5d s ASP 98 CO 0.07 -0.31 1.08 -0.47 1.18 0.00 0.00 175.17 176.73 1x5d s TYR 99 N 1.13 3.63 -0.46 4.23 5.04 -0.63 -4.99 117.35 125.29 1x5d s TYR 99 Ca -0.01 1.66 0.08 0.00 -2.44 0.00 0.00 57.07 56.36 1x5d s TYR 99 Cb -0.20 -3.25 0.28 0.00 0.35 0.00 0.00 41.96 39.14 1x5d s TYR 99 CO -0.04 -0.48 0.67 -0.25 -1.34 0.00 0.00 175.55 174.10 1x5d n ASP 100 N 1.98 1.59 -0.95 4.32 8.00 -1.26 -4.56 116.55 125.67 1x5d n ASP 100 Ca 0.01 -3.04 0.00 0.00 0.71 0.00 0.00 54.79 52.47 1x5d n ASP 100 Cb 0.46 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1x5d n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x5d n GLY 101 N 0.84 1.46 1.38 0.44 0.00 -1.26 -5.01 105.19 103.05 1x5d n GLY 101 Ca 0.25 -1.80 -0.04 0.00 0.00 0.00 0.00 46.02 44.42 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 4.44 3.89 -0.02 0.00 -1.26 -4.93 105.19 112.31 1x5d n GLY 102 Ca 0.00 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.58 1x5d n GLY 102 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x5d n ARG 103 N -0.83 -3.78 -4.19 1.61 0.63 -1.26 -4.94 116.66 103.89 1x5d n ARG 103 Ca 0.35 0.45 -0.19 0.00 -0.92 0.00 0.00 57.85 57.55 1x5d n ARG 103 Cb 1.15 -5.22 -0.16 0.00 0.45 0.00 0.00 32.46 28.69 1x5d n ARG 103 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1x5d s THR 104 N -3.17 0.53 0.41 5.15 -4.23 -1.26 -4.85 115.64 108.22 1x5d s THR 104 Ca 0.63 -0.18 0.26 0.00 -1.18 0.00 0.00 61.69 61.22 1x5d s THR 104 Cb -0.33 -0.52 0.44 0.00 1.34 0.00 0.00 72.50 73.43 1x5d s THR 104 CO 0.77 0.20 1.64 0.08 -0.54 0.00 0.00 174.62 176.77 1x5d h ARG 105 N 6.76 0.14 -0.58 3.99 0.11 -1.90 0.70 114.38 123.60 1x5d h ARG 105 Ca -0.36 -0.01 0.05 0.00 0.10 0.00 0.00 59.98 59.77 1x5d h ARG 105 Cb 1.16 -0.03 -0.05 0.00 1.11 0.00 0.00 29.97 32.16 1x5d h ARG 105 CO 0.48 0.09 0.31 0.77 0.10 0.00 0.00 179.97 181.73 1x5d h SER 106 N 0.15 0.45 0.00 0.08 0.02 -1.95 0.50 113.55 112.79 1x5d h SER 106 Ca 0.78 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.73 1x5d h SER 106 Cb 2.29 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 64.77 1x5d h SER 106 CO -0.46 0.30 -0.17 0.44 -1.14 0.00 0.00 176.83 175.80 1x5d h ASP 107 N 0.59 0.00 -0.80 3.07 3.32 -0.15 -2.42 116.42 120.03 1x5d h ASP 107 Ca 0.26 -0.84 0.18 0.00 0.02 0.00 0.00 57.03 56.65 1x5d h ASP 107 Cb 0.16 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.59 1x5d h ASP 107 CO -0.17 1.02 0.23 0.40 -1.72 0.00 0.00 179.24 179.00 1x5d h ILE 108 N -1.00 0.47 -0.06 0.35 2.04 -0.67 -1.21 117.51 117.43 1x5d h ILE 108 Ca -0.04 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 1x5d h ILE 108 Cb 0.95 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1x5d h ILE 108 CO -0.03 0.05 -0.33 0.58 0.00 0.00 0.00 178.15 178.43 1x5d h VAL 109 N 0.29 1.44 -0.04 1.67 2.07 -1.03 -2.32 116.25 118.33 1x5d h VAL 109 Ca 0.47 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 66.24 1x5d h VAL 109 Cb 0.84 2.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1x5d h VAL 109 CO -0.54 0.50 0.42 -1.28 0.02 0.00 0.00 177.57 176.69 1x5d h SER 110 N -0.19 0.00 0.00 0.57 0.87 -0.74 -1.93 113.55 112.14 1x5d h SER 110 Ca -0.02 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.36 1x5d h SER 110 Cb 0.99 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.92 1x5d h SER 110 CO 0.07 0.00 -1.26 -1.14 -0.53 0.00 0.00 176.83 173.96 1x5d n ARG 111 N -2.92 0.53 -0.46 2.24 3.00 -0.62 -4.26 116.66 114.17 1x5d n ARG 111 Ca -0.01 0.43 0.42 0.00 -0.00 0.00 0.00 57.85 58.69 1x5d n ARG 111 Cb 0.47 -1.62 0.75 0.00 0.00 0.00 0.00 32.46 32.06 1x5d n ARG 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x5d h ALA 112 N -0.84 3.38 -0.42 5.13 0.00 -0.79 0.66 119.26 126.38 1x5d h ALA 112 Ca -0.26 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 1x5d h ALA 112 Cb 1.08 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1x5d h ALA 112 CO -0.16 -1.87 0.09 -0.07 0.00 0.00 0.00 179.25 177.24 1x5d h LEU 113 N 0.00 0.66 -0.82 0.00 3.38 -1.59 0.35 115.31 117.29 1x5d h LEU 113 Ca 0.70 -0.25 0.12 0.00 0.09 0.00 0.00 57.88 58.54 1x5d h LEU 113 Cb 2.92 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 43.41 1x5d h LEU 113 CO -0.01 0.74 0.44 -0.78 0.09 0.00 0.00 178.44 178.92 1x5d h ASP 114 N 0.55 0.57 0.00 -0.43 3.58 0.16 -2.07 116.42 118.79 1x5d h ASP 114 Ca 0.13 0.07 -0.24 0.00 0.42 0.00 0.00 57.03 57.41 1x5d h ASP 114 Cb 0.35 -0.03 0.02 0.00 1.72 0.00 0.00 39.33 41.38 1x5d h ASP 114 CO 0.00 0.29 -0.93 -0.07 -2.88 0.00 0.00 179.24 175.66 1x5d h LEU 115 N 0.69 0.81 -0.89 2.28 3.38 -1.48 -3.32 115.31 116.77 1x5d h LEU 115 Ca 0.42 -0.75 0.11 0.00 0.09 0.00 0.00 57.88 57.75 1x5d h LEU 115 Cb 0.50 -0.25 -0.12 0.00 0.09 0.00 0.00 40.66 40.87 1x5d h LEU 115 CO -0.30 1.45 -0.44 0.33 0.09 0.00 0.00 178.44 179.57 1x5d n PHE 116 N -3.96 -0.19 0.15 1.13 7.35 0.09 -0.46 117.46 121.57 1x5d n PHE 116 Ca -0.11 1.11 -0.14 0.00 -0.76 0.00 0.00 57.45 57.55 1x5d n PHE 116 Cb 0.83 -0.70 -0.06 0.00 0.35 0.00 0.00 39.48 39.90 1x5d n PHE 116 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1x5d h SER 117 N 0.00 -0.85 -0.98 -2.13 0.87 -1.64 0.84 113.55 109.65 1x5d h SER 117 Ca 0.22 0.09 0.30 0.00 -1.23 0.00 0.00 61.79 61.18 1x5d h SER 117 Cb 0.45 0.31 -0.18 0.00 -0.44 0.00 0.00 62.40 62.54 1x5d h SER 117 CO -0.86 -0.41 0.14 0.47 -0.53 0.00 0.00 176.83 175.64 1x5d n ASP 118 N -5.41 -0.01 0.00 6.23 8.00 0.39 -3.27 116.55 122.48 1x5d n ASP 118 Ca -0.08 1.66 0.00 0.00 0.71 0.00 0.00 54.79 57.09 1x5d n ASP 118 Cb 0.32 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 1x5d n ASP 118 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1x5d n ASN 119 N -5.42 0.00 -4.53 -2.24 3.02 -0.75 -4.97 115.26 100.37 1x5d n ASN 119 Ca 0.26 0.11 -0.35 0.00 -0.03 0.00 0.00 54.58 54.57 1x5d n ASN 119 Cb 0.88 -0.25 0.09 0.00 -0.61 0.00 0.00 39.78 39.88 1x5d n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5d n ALA 120 N -1.67 -1.07 -2.20 5.41 0.00 0.29 -4.90 120.51 116.37 1x5d n ALA 120 Ca 0.00 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1x5d n ALA 120 Cb 0.00 -1.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.45 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 -3.16 4.33 0.93 0.00 0.04 -1.26 -4.42 135.00 131.47 1x5d s PRO 121 Ca 0.68 2.04 -0.12 0.00 0.04 0.00 0.00 61.00 63.64 1x5d s PRO 121 Cb -0.33 -3.26 0.15 0.00 0.04 0.00 0.00 34.50 31.10 1x5d s PRO 121 CO 0.56 -0.41 1.09 -1.25 0.04 0.00 0.00 177.00 177.03 1x5d s PRO 122 N 1.08 0.94 0.00 0.56 0.04 -1.26 -4.99 135.00 131.37 1x5d s PRO 122 Ca 0.64 0.71 0.00 0.00 0.04 0.00 0.00 61.00 62.38 1x5d s PRO 122 Cb -0.36 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1x5d s PRO 122 CO 0.30 -2.43 0.00 -0.35 0.04 0.00 0.00 177.00 174.57 1x5d n PRO 123 N -3.99 0.22 -1.04 0.56 -0.04 -1.26 -4.93 135.00 124.51 1x5d n PRO 123 Ca 0.06 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.18 1x5d n PRO 123 Cb 0.56 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.04 1x5d n PRO 123 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1x5d n GLU 124 N -0.58 0.00 -0.21 0.54 4.07 -1.26 -4.78 120.64 118.42 1x5d n GLU 124 Ca 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 57.16 57.12 1x5d n GLU 124 Cb 0.00 -0.92 0.11 0.00 -0.06 0.00 0.00 31.44 30.56 1x5d n GLU 124 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1x5d n LEU 125 N 2.77 1.97 -2.47 4.31 0.00 -1.26 -4.12 117.00 118.19 1x5d n LEU 125 Ca 0.03 -0.99 -0.35 0.00 0.00 0.00 0.00 56.01 54.69 1x5d n LEU 125 Cb 0.48 -0.43 0.06 0.00 0.00 0.00 0.00 43.42 43.53 1x5d n LEU 125 CO 0.49 0.33 1.36 0.18 0.00 0.00 0.00 177.39 179.75 1x5d n LEU 126 N 0.15 7.39 -3.53 -1.96 4.32 -1.26 -4.93 117.00 117.18 1x5d n LEU 126 Ca 0.07 -4.49 -0.18 0.00 -0.02 0.00 0.00 56.01 51.39 1x5d n LEU 126 Cb 0.42 -0.94 -0.06 0.00 -1.62 0.00 0.00 43.42 41.21 1x5d n LEU 126 CO 0.08 1.61 0.42 -0.70 -1.22 0.00 0.00 177.39 177.58 1x5d s GLU 127 N -3.87 1.04 -0.32 3.23 2.56 -1.26 -5.11 118.70 114.97 1x5d s GLU 127 Ca 0.60 0.23 -0.37 0.00 0.00 0.00 0.00 54.97 55.43 1x5d s GLU 127 Cb 0.48 0.49 -0.13 0.00 2.00 0.00 0.00 34.13 36.97 1x5d s GLU 127 CO -0.12 -0.32 2.07 0.43 -0.56 0.00 0.00 175.26 176.76 1x5d n SER 128 N 0.92 2.24 0.00 -1.70 7.64 -1.26 -4.60 113.62 116.87 1x5d n SER 128 Ca -0.19 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1x5d n SER 128 Cb 0.57 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1x5d n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5d n GLY 129 N 5.94 -0.99 0.00 0.23 0.00 -1.26 -5.01 105.19 104.09 1x5d n GLY 129 Ca 0.37 0.34 0.06 0.00 0.00 0.00 0.00 46.02 46.79 1x5d n GLY 129 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5d n PRO 130 N 0.00 0.49 -3.29 1.61 -0.04 -1.26 -4.84 135.00 127.68 1x5d n PRO 130 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 1x5d n PRO 130 Cb 0.00 -1.35 0.07 0.00 -0.04 0.00 0.00 33.50 32.18 1x5d n PRO 130 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x5d n SER 131 N -0.85 -3.13 -3.15 3.54 7.64 -1.26 -5.01 113.62 111.40 1x5d n SER 131 Ca 0.08 -0.51 -0.11 0.00 1.01 0.00 0.00 58.87 59.34 1x5d n SER 131 Cb 0.04 -4.44 -0.01 0.00 -1.01 0.00 0.00 64.21 58.79 1x5d n SER 131 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x5d s SER 132 N -3.90 0.38 0.00 6.43 0.15 -1.26 -5.20 113.70 110.30 1x5d s SER 132 Ca 0.15 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.54 1x5d s SER 132 Cb -0.07 0.76 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1x5d s SER 132 CO 0.62 -1.49 0.00 0.61 1.20 0.00 0.00 173.24 174.19