#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5d n SER 2 N 0.00 0.57 -0.06 1.61 2.88 -1.26 -4.79 113.62 112.58 1x5d n SER 2 Ca 0.00 0.40 -0.06 0.00 -1.33 0.00 0.00 58.87 57.89 1x5d n SER 2 Cb 0.00 -0.93 -0.02 0.00 -0.75 0.00 0.00 64.21 62.51 1x5d n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x5d n SER 3 N 9.20 1.45 -0.16 -3.46 7.64 -1.26 -5.13 113.62 121.90 1x5d n SER 3 Ca 0.60 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.84 1x5d n SER 3 Cb 0.01 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1x5d n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5d n GLY 4 N 1.53 -1.77 0.02 0.23 0.00 -1.26 -4.98 105.19 98.96 1x5d n GLY 4 Ca -0.09 -1.02 0.02 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.17 1.94 -3.15 1.61 3.41 -1.26 -4.96 113.62 111.03 1x5d n SER 5 Ca 0.00 -2.13 0.05 0.00 -0.26 0.00 0.00 58.87 56.53 1x5d n SER 5 Cb 0.00 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 1x5d n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x5d s SER 6 N -1.26 -0.40 1.32 4.04 1.04 -1.26 -5.10 113.70 112.07 1x5d s SER 6 Ca 0.05 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1x5d s SER 6 Cb 0.05 1.34 0.00 0.00 0.10 0.00 0.00 66.02 67.50 1x5d s SER 6 CO 0.00 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.76 1x5d n GLY 7 N 5.47 3.43 0.05 7.32 0.00 -1.26 -1.59 105.19 118.61 1x5d n GLY 7 Ca -0.07 0.24 0.01 0.00 0.00 0.00 0.00 46.02 46.20 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 6.85 2.08 -4.66 1.61 2.03 -1.26 -4.99 116.55 118.20 1x5d n ASP 8 Ca 0.00 -2.03 -0.42 0.00 0.52 0.00 0.00 54.79 52.86 1x5d n ASP 8 Cb 0.00 -0.03 -0.03 0.00 -0.72 0.00 0.00 41.12 40.34 1x5d n ASP 8 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1x5d s VAL 9 N -1.05 3.12 0.01 5.18 1.01 -0.62 -4.80 120.40 123.25 1x5d s VAL 9 Ca 0.02 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 1x5d s VAL 9 Cb 0.02 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 1x5d s VAL 9 CO 0.01 -0.02 0.43 -0.63 0.00 0.00 0.00 175.10 174.90 1x5d s ILE 10 N 4.20 4.99 -0.18 2.22 1.01 -1.08 -4.52 121.20 127.85 1x5d s ILE 10 Ca 0.84 0.89 -0.13 0.00 0.00 0.00 0.00 60.65 62.26 1x5d s ILE 10 Cb -0.41 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1x5d s ILE 10 CO 0.38 0.57 0.24 -0.70 0.00 0.00 0.00 174.94 175.43 1x5d s GLU 11 N -1.02 4.22 0.27 2.79 2.12 -1.26 -0.28 118.70 125.53 1x5d s GLU 11 Ca 0.24 -0.02 0.09 0.00 0.36 0.00 0.00 54.97 55.64 1x5d s GLU 11 Cb -0.17 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 1x5d s GLU 11 CO 0.14 0.22 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.45 1x5d s LEU 12 N 0.55 2.57 0.50 2.70 1.43 -1.22 -4.99 118.68 120.22 1x5d s LEU 12 Ca 0.13 -1.11 0.02 0.00 -1.03 0.00 0.00 54.13 52.14 1x5d s LEU 12 Cb -0.13 -0.81 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 1x5d s LEU 12 CO 0.02 -0.19 0.04 0.42 0.23 0.00 0.00 176.35 176.87 1x5d s THR 13 N -2.83 1.29 0.48 5.49 -4.23 -1.26 -4.77 115.64 109.81 1x5d s THR 13 Ca 0.28 -1.95 0.40 0.00 -1.18 0.00 0.00 61.69 59.24 1x5d s THR 13 Cb 0.00 -2.24 0.42 0.00 1.34 0.00 0.00 72.50 72.03 1x5d s THR 13 CO 0.12 0.00 2.24 -2.24 -0.54 0.00 0.00 174.62 174.20 1x5d h ASP 14 N 1.33 0.00 0.00 3.99 2.03 -1.98 0.08 116.42 121.87 1x5d h ASP 14 Ca -0.43 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 55.57 1x5d h ASP 14 Cb 1.31 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.76 1x5d h ASP 14 CO 0.73 0.01 -1.99 0.47 -1.03 0.00 0.00 179.24 177.43 1x5d n ASP 15 N -3.15 1.27 0.29 4.15 8.00 -1.26 -4.54 116.55 121.31 1x5d n ASP 15 Ca -0.02 0.21 0.14 0.00 0.71 0.00 0.00 54.79 55.84 1x5d n ASP 15 Cb 0.15 -0.52 0.88 0.00 -0.02 0.00 0.00 41.12 41.61 1x5d n ASP 15 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1x5d h SER 16 N -0.63 0.00 0.00 -2.24 0.02 -1.94 -0.99 113.55 107.77 1x5d h SER 16 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1x5d h SER 16 Cb 1.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1x5d h SER 16 CO -0.27 0.01 0.05 0.15 -1.14 0.00 0.00 176.83 175.63 1x5d h PHE 17 N 0.00 0.00 0.00 3.45 3.04 -1.21 0.99 116.94 123.21 1x5d h PHE 17 Ca -0.00 0.00 -0.25 0.00 3.98 0.00 0.00 57.97 61.70 1x5d h PHE 17 Cb 0.03 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.50 1x5d h PHE 17 CO 0.00 0.00 -1.35 -0.40 -2.02 0.00 0.00 178.31 174.54 1x5d n ASP 18 N -2.38 1.87 0.00 0.41 5.68 -0.38 -2.61 116.55 119.14 1x5d n ASP 18 Ca -0.02 0.41 0.10 0.00 -0.50 0.00 0.00 54.79 54.79 1x5d n ASP 18 Cb 0.09 -0.96 0.50 0.00 -1.14 0.00 0.00 41.12 39.61 1x5d n ASP 18 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1x5d n LYS 19 N -4.42 0.24 -0.08 0.11 2.85 -0.88 -0.27 118.16 115.71 1x5d n LYS 19 Ca -0.34 0.10 -0.09 0.00 -1.05 0.00 0.00 58.31 56.94 1x5d n LYS 19 Cb 0.70 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 33.45 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 -1.33 1.12 -0.04 -5.58 3.02 0.29 -4.29 115.26 108.45 1x5d n ASN 20 Ca 0.09 -0.02 -0.05 0.00 -0.03 0.00 0.00 54.58 54.57 1x5d n ASN 20 Cb 0.18 0.74 -0.02 0.00 -0.61 0.00 0.00 39.78 40.07 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 -2.68 1.05 0.45 2.41 0.31 -1.07 -4.26 118.33 114.54 1x5d n VAL 21 Ca -0.28 0.25 -0.18 0.00 -0.01 0.00 0.00 64.34 64.12 1x5d n VAL 21 Cb 1.02 -1.95 -0.08 0.00 -0.91 0.00 0.00 33.84 31.92 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 -0.55 -0.97 -1.00 7.52 3.38 -0.78 -2.07 115.31 120.84 1x5d h LEU 22 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1x5d h LEU 22 Cb 0.55 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1x5d h LEU 22 CO 0.00 -0.69 0.13 -0.67 0.09 0.00 0.00 178.44 177.30 1x5d n ASP 23 N -5.14 0.39 -4.79 -0.43 -0.08 0.52 -4.45 116.55 102.57 1x5d n ASP 23 Ca -0.14 0.63 -0.36 0.00 -1.51 0.00 0.00 54.79 53.40 1x5d n ASP 23 Cb 0.45 -0.64 -0.07 0.00 2.34 0.00 0.00 41.12 43.20 1x5d n ASP 23 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1x5d s SER 24 N -3.60 6.34 -0.20 1.67 0.15 -0.78 -4.97 113.70 112.31 1x5d s SER 24 Ca -0.02 0.40 0.04 0.00 0.70 0.00 0.00 55.95 57.07 1x5d s SER 24 Cb 0.04 -2.11 0.38 0.00 -1.71 0.00 0.00 66.02 62.62 1x5d s SER 24 CO 0.14 0.25 1.39 -1.84 1.20 0.00 0.00 173.24 174.38 1x5d n GLU 25 N 2.92 2.08 -4.38 5.44 0.28 -1.26 -4.58 120.64 121.14 1x5d n GLU 25 Ca -0.16 -1.61 -0.22 0.00 -0.16 0.00 0.00 57.16 55.01 1x5d n GLU 25 Cb 0.53 -1.71 -0.11 0.00 1.43 0.00 0.00 31.44 31.59 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 -0.27 2.95 0.00 -1.84 1.01 -1.26 -4.82 116.67 112.43 1x5d s ASP 26 Ca 0.30 -0.96 -0.30 0.00 0.71 0.00 0.00 52.55 52.29 1x5d s ASP 26 Cb 0.24 -0.20 -0.05 0.00 1.01 0.00 0.00 42.92 43.92 1x5d s ASP 26 CO 0.07 -0.05 1.38 -0.69 0.21 0.00 0.00 175.17 176.09 1x5d s VAL 27 N -2.46 3.74 -0.21 -1.27 1.01 -1.25 -4.64 120.40 115.31 1x5d s VAL 27 Ca 0.22 1.13 -0.00 0.00 0.00 0.00 0.00 61.98 63.33 1x5d s VAL 27 Cb -0.04 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1x5d s VAL 27 CO 0.09 0.00 -0.12 0.26 0.00 0.00 0.00 175.10 175.33 1x5d s TRP 28 N 2.28 2.94 -0.37 5.22 0.52 -1.08 -0.72 118.94 127.73 1x5d s TRP 28 Ca 0.63 -1.57 -0.21 0.00 0.02 0.00 0.00 56.10 54.97 1x5d s TRP 28 Cb -0.31 -1.99 0.01 0.00 -1.15 0.00 0.00 33.47 30.02 1x5d s TRP 28 CO 0.26 -0.75 0.65 -1.64 0.02 0.00 0.00 176.95 175.50 1x5d s MET 29 N 1.31 3.61 -0.37 4.98 -1.94 -0.06 -2.73 119.30 124.09 1x5d s MET 29 Ca 0.02 -0.00 -0.13 0.00 -1.71 0.00 0.00 55.69 53.87 1x5d s MET 29 Cb -0.15 -3.84 0.01 0.00 2.01 0.00 0.00 34.83 32.87 1x5d s MET 29 CO -0.08 -0.81 0.24 0.08 -0.01 0.00 0.00 175.02 174.44 1x5d s VAL 30 N 2.78 4.93 -0.63 -6.03 1.01 -0.75 -0.64 120.40 121.08 1x5d s VAL 30 Ca 0.25 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1x5d s VAL 30 Cb -0.14 -3.69 0.16 0.00 0.00 0.00 0.00 36.38 32.72 1x5d s VAL 30 CO 0.16 -0.19 0.48 -0.70 0.00 0.00 0.00 175.10 174.86 1x5d s GLU 31 N 1.63 2.76 -0.07 2.72 -6.30 -1.12 -1.44 118.70 116.87 1x5d s GLU 31 Ca 0.04 -2.30 -0.29 0.00 -2.50 0.00 0.00 54.97 49.92 1x5d s GLU 31 Cb -0.19 -3.93 -0.07 0.00 0.00 0.00 0.00 34.13 29.94 1x5d s GLU 31 CO 0.08 -1.20 1.92 -0.06 0.02 0.00 0.00 175.26 176.02 1x5d s PHE 32 N 0.38 1.49 0.29 5.30 0.40 0.28 -3.58 117.98 122.54 1x5d s PHE 32 Ca 0.14 0.01 0.07 0.00 -0.60 0.00 0.00 56.93 56.55 1x5d s PHE 32 Cb -0.19 -4.09 -0.06 0.00 0.51 0.00 0.00 43.02 39.19 1x5d s PHE 32 CO -0.04 -4.59 -0.07 1.52 0.70 0.00 0.00 175.22 172.74 1x5d s TYR 33 N 5.35 2.03 -0.05 0.36 -0.85 -0.79 -1.26 117.35 122.14 1x5d s TYR 33 Ca 0.86 -0.66 0.05 0.00 -0.52 0.00 0.00 57.07 56.81 1x5d s TYR 33 Cb -0.36 -1.15 -0.01 0.00 0.38 0.00 0.00 41.96 40.82 1x5d s TYR 33 CO 0.36 0.34 -0.21 0.00 -1.52 0.00 0.00 175.55 174.53 1x5d s ALA 34 N -2.93 1.82 -0.97 9.51 0.00 -1.26 -3.16 121.76 124.77 1x5d s ALA 34 Ca 0.30 -0.85 0.15 0.00 0.00 0.00 0.00 51.96 51.55 1x5d s ALA 34 Cb 0.03 -0.59 0.63 0.00 0.00 0.00 0.00 23.12 23.19 1x5d s ALA 34 CO 0.13 0.34 1.47 -0.35 0.00 0.00 0.00 175.76 177.34 1x5d n PRO 35 N 3.08 0.01 -0.05 0.00 -0.04 -1.26 -2.21 135.00 134.53 1x5d n PRO 35 Ca -0.18 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.62 1x5d n PRO 35 Cb 0.52 -1.52 0.10 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.55 0.00 -3.92 0.54 4.27 -1.26 -4.97 117.44 110.55 1x5d n TRP 36 Ca 0.03 -0.85 -0.35 0.00 -3.89 0.00 0.00 57.50 52.44 1x5d n TRP 36 Cb 0.17 -0.12 -0.14 0.00 -1.36 0.00 0.00 31.31 29.86 1x5d n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5d h GLY 38 N 8.04 -0.29 -0.73 0.00 0.00 -1.93 -1.58 103.07 106.58 1x5d h GLY 38 Ca -0.30 0.46 0.12 0.00 0.00 0.00 0.00 47.33 47.61 1x5d h GLY 38 CO 0.57 -0.20 -0.27 1.42 0.00 0.00 0.00 176.54 178.06 1x5d n HIS 39 N -5.42 0.07 0.17 5.60 8.25 -1.26 0.37 115.22 122.99 1x5d n HIS 39 Ca 0.02 0.90 -0.15 0.00 -0.26 0.00 0.00 57.72 58.23 1x5d n HIS 39 Cb 0.35 -0.80 -0.07 0.00 1.12 0.00 0.00 29.99 30.58 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 -0.67 0.14 0.00 0.00 1.57 0.01 1.86 116.57 119.48 1x5d h LYS 41 Ca 0.00 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1x5d h LYS 41 Cb 0.65 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1x5d h LYS 41 CO -0.15 0.09 -0.41 -0.91 -0.57 0.00 0.00 179.45 177.51 1x5d h ASN 42 N 0.15 0.00 1.18 0.86 4.21 -0.63 -3.01 115.58 118.34 1x5d h ASN 42 Ca 0.67 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.18 1x5d h ASN 42 Cb 1.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.73 1x5d h ASN 42 CO -0.73 0.41 -0.55 0.25 -1.29 0.00 0.00 177.43 175.52 1x5d h LEU 43 N 0.00 0.00 -0.79 1.61 5.85 0.42 -3.37 115.31 119.03 1x5d h LEU 43 Ca -0.00 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.72 1x5d h LEU 43 Cb 1.06 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.98 1x5d h LEU 43 CO 0.05 0.04 -0.52 -0.08 -0.34 0.00 0.00 178.44 177.60 1x5d h GLU 44 N 0.00 -0.13 -0.35 1.25 4.81 0.73 0.46 114.58 121.36 1x5d h GLU 44 Ca 0.00 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 1x5d h GLU 44 Cb 0.87 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1x5d h GLU 44 CO 0.00 -0.08 -0.34 -1.00 -0.73 0.00 0.00 179.01 176.85 1x5d h PRO 45 N -0.13 0.85 -0.29 0.92 0.13 -1.77 -0.44 132.00 131.26 1x5d h PRO 45 Ca 0.18 -0.45 0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1x5d h PRO 45 Cb 0.51 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 1x5d h PRO 45 CO -0.82 1.09 0.20 0.93 -0.23 0.00 0.00 178.00 179.16 1x5d h GLU 46 N 0.64 0.21 0.12 0.86 4.39 -1.39 -0.89 114.58 118.52 1x5d h GLU 46 Ca 0.06 -0.01 -0.34 0.00 0.34 0.00 0.00 59.36 59.40 1x5d h GLU 46 Cb 0.93 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1x5d h GLU 46 CO 0.09 0.14 -1.81 2.35 -1.16 0.00 0.00 179.01 178.61 1x5d h TRP 47 N 0.21 0.46 -0.59 4.33 2.91 -0.03 -2.56 115.95 120.69 1x5d h TRP 47 Ca 0.12 -0.34 0.01 0.00 1.13 0.00 0.00 58.89 59.82 1x5d h TRP 47 Cb 0.23 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.83 1x5d h TRP 47 CO -0.00 1.57 0.38 0.00 -1.03 0.00 0.00 178.44 179.36 1x5d h ALA 48 N 0.30 0.76 -0.13 2.65 0.00 -0.56 -1.69 119.26 120.60 1x5d h ALA 48 Ca -0.35 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1x5d h ALA 48 Cb 2.04 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1x5d h ALA 48 CO 0.12 0.15 -0.07 0.00 0.00 0.00 0.00 179.25 179.45 1x5d h ALA 49 N 1.24 0.18 -0.90 0.00 0.00 -1.34 -3.13 119.26 115.30 1x5d h ALA 49 Ca 0.23 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1x5d h ALA 49 Cb -0.04 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 1x5d h ALA 49 CO -0.07 -0.03 0.51 0.00 0.00 0.00 0.00 179.25 179.66 1x5d h ALA 50 N 0.65 1.38 -0.68 0.00 0.00 -1.48 0.19 119.26 119.31 1x5d h ALA 50 Ca 0.03 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1x5d h ALA 50 Cb 0.54 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1x5d h ALA 50 CO 0.02 -0.00 0.40 0.00 0.00 0.00 0.00 179.25 179.67 1x5d h ALA 51 N 1.56 0.91 0.00 0.00 0.00 -1.26 0.92 119.26 121.38 1x5d h ALA 51 Ca 0.48 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.23 1x5d h ALA 51 Cb 0.63 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1x5d h ALA 51 CO -0.33 0.11 -0.77 0.77 0.00 0.00 0.00 179.25 179.03 1x5d h SER 52 N 0.75 0.00 1.58 0.00 0.02 -1.12 -1.56 113.55 113.21 1x5d h SER 52 Ca 0.29 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1x5d h SER 52 Cb 0.13 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1x5d h SER 52 CO -0.16 0.77 -0.43 -0.08 -1.14 0.00 0.00 176.83 175.79 1x5d h GLU 53 N 0.00 0.00 0.16 3.45 4.57 0.10 -2.81 114.58 120.06 1x5d h GLU 53 Ca -0.01 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.84 1x5d h GLU 53 Cb 1.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 1x5d h GLU 53 CO 0.10 0.30 -1.69 0.28 -1.18 0.00 0.00 179.01 176.82 1x5d h VAL 54 N 0.00 0.93 0.00 0.32 2.07 0.90 -3.03 116.25 117.43 1x5d h VAL 54 Ca -0.01 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.04 1x5d h VAL 54 Cb 1.26 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 33.75 1x5d h VAL 54 CO 0.04 0.82 0.00 0.07 0.02 0.00 0.00 177.57 178.52 1x5d h LYS 55 N -0.01 0.00 0.00 1.57 2.10 -1.39 0.24 116.57 119.09 1x5d h LYS 55 Ca -0.34 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.07 1x5d h LYS 55 Cb 2.00 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.29 1x5d h LYS 55 CO 0.14 0.00 -1.41 1.05 -2.00 0.00 0.00 179.45 177.22 1x5d h GLU 56 N 0.00 0.00 0.05 0.07 4.11 -1.61 0.27 114.58 117.47 1x5d h GLU 56 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.11 1x5d h GLU 56 Cb 0.65 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1x5d h GLU 56 CO 0.00 0.57 -1.75 1.04 0.07 0.00 0.00 179.01 178.93 1x5d n GLN 57 N -3.09 0.65 0.00 1.06 6.02 -1.13 -4.06 117.38 116.82 1x5d n GLN 57 Ca -0.10 0.40 0.03 0.00 -0.01 0.00 0.00 57.00 57.31 1x5d n GLN 57 Cb 0.97 -1.69 0.16 0.00 1.02 0.00 0.00 30.24 30.69 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 -3.97 0.00 -2.03 5.09 -2.24 0.84 -4.83 114.28 107.13 1x5d n THR 58 Ca -0.35 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.23 1x5d n THR 58 Cb 0.86 -0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.89 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 -0.60 -1.50 -0.07 -0.78 4.76 -1.20 -0.86 118.16 117.91 1x5d n LYS 59 Ca 0.04 1.07 0.00 0.00 -2.87 0.00 0.00 58.31 56.55 1x5d n LYS 59 Cb 0.02 -5.56 0.00 0.00 -1.84 0.00 0.00 35.03 27.65 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 -0.80 1.35 0.01 0.72 0.00 0.96 -4.96 105.19 102.46 1x5d n GLY 60 Ca -0.22 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 3.17 -0.02 -6.51 1.61 1.63 -1.28 -3.38 116.57 111.80 1x5d h LYS 61 Ca 0.00 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.25 1x5d h LYS 61 Cb 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 31.57 1x5d h LYS 61 CO 0.00 -0.01 1.03 0.08 -3.45 0.00 0.00 179.45 177.10 1x5d s VAL 62 N -3.06 3.92 0.10 2.00 1.01 -1.26 -3.86 120.40 119.25 1x5d s VAL 62 Ca -0.00 0.81 -0.08 0.00 0.00 0.00 0.00 61.98 62.71 1x5d s VAL 62 Cb 0.00 -4.59 -0.06 0.00 0.00 0.00 0.00 36.38 31.73 1x5d s VAL 62 CO 0.01 -1.25 0.38 -0.54 0.00 0.00 0.00 175.10 173.70 1x5d s LYS 63 N 5.18 3.69 -0.16 2.72 1.02 0.11 -4.16 119.74 128.13 1x5d s LYS 63 Ca 0.47 0.05 -0.02 0.00 0.02 0.00 0.00 55.97 56.50 1x5d s LYS 63 Cb -0.09 -2.94 -0.01 0.00 -0.52 0.00 0.00 37.83 34.26 1x5d s LYS 63 CO 0.25 0.53 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.61 1x5d s LEU 64 N -2.19 2.83 0.35 3.17 1.02 -1.26 -0.88 118.68 121.72 1x5d s LEU 64 Ca 0.36 -0.33 0.04 0.00 0.02 0.00 0.00 54.13 54.22 1x5d s LEU 64 Cb -0.13 -1.67 -0.05 0.00 0.02 0.00 0.00 46.19 44.35 1x5d s LEU 64 CO 0.20 0.11 0.07 0.00 0.02 0.00 0.00 176.35 176.74 1x5d s ALA 65 N 0.72 2.59 0.01 4.21 0.00 0.19 -2.63 121.76 126.85 1x5d s ALA 65 Ca -0.04 -1.83 0.02 0.00 0.00 0.00 0.00 51.96 50.10 1x5d s ALA 65 Cb -0.15 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 1x5d s ALA 65 CO 0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 175.76 175.42 1x5d s ALA 66 N -3.23 0.52 0.10 0.00 0.00 0.61 -2.81 121.76 116.94 1x5d s ALA 66 Ca 0.33 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 51.97 1x5d s ALA 66 Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 1x5d s ALA 66 CO 0.15 0.09 -0.14 0.08 0.00 0.00 0.00 175.76 175.94 1x5d s VAL 67 N -0.41 1.23 -0.42 0.00 1.01 -1.23 -3.44 120.40 117.14 1x5d s VAL 67 Ca -0.00 -1.51 -0.16 0.00 0.00 0.00 0.00 61.98 60.31 1x5d s VAL 67 Cb -0.04 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1x5d s VAL 67 CO -0.00 -0.31 0.35 -1.81 0.00 0.00 0.00 175.10 173.33 1x5d s ASP 68 N -2.07 6.14 0.00 3.32 1.11 -1.26 -1.88 116.67 122.02 1x5d s ASP 68 Ca 0.03 -0.84 0.13 0.00 0.18 0.00 0.00 52.55 52.05 1x5d s ASP 68 Cb -0.08 -2.18 0.72 0.00 1.07 0.00 0.00 42.92 42.46 1x5d s ASP 68 CO 0.03 -0.50 1.27 0.00 1.18 0.00 0.00 175.17 177.14 1x5d n ALA 69 N 5.30 1.88 0.04 5.23 0.00 -1.19 -0.40 120.51 131.37 1x5d n ALA 69 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1x5d n ALA 69 Cb 0.47 -1.21 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 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 0.53 0.00 0.00 1.35 -1.91 -3.39 112.91 109.49 1x5d h THR 70 Ca 0.00 -2.02 -0.08 0.00 -0.55 0.00 0.00 66.41 63.77 1x5d h THR 70 Cb 0.06 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 1x5d h THR 70 CO 0.00 0.30 -1.44 0.55 -0.25 0.00 0.00 175.52 174.68 1x5d n VAL 71 N -2.92 0.29 -3.23 6.82 3.14 -0.81 -4.94 118.33 116.69 1x5d n VAL 71 Ca -0.09 -0.26 -0.42 0.00 -2.96 0.00 0.00 64.34 60.61 1x5d n VAL 71 Cb 0.83 -0.33 -0.08 0.00 -1.06 0.00 0.00 33.84 33.21 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 -3.48 6.27 -0.11 6.55 0.01 0.46 -4.87 114.94 119.77 1x5d s ASN 72 Ca -0.03 -0.35 0.03 0.00 -0.71 0.00 0.00 52.86 51.79 1x5d s ASN 72 Cb 0.03 -2.27 -0.09 0.00 0.41 0.00 0.00 41.25 39.34 1x5d s ASN 72 CO 0.31 -0.61 -0.07 0.00 -1.51 0.00 0.00 177.10 175.23 1x5d n GLN 73 N 5.85 0.88 -0.29 -0.60 1.13 -1.26 -3.95 117.38 119.14 1x5d n GLN 73 Ca -0.05 0.05 0.09 0.00 -1.94 0.00 0.00 57.00 55.15 1x5d n GLN 73 Cb 0.48 -1.23 0.24 0.00 0.11 0.00 0.00 30.24 29.84 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 0.64 0.00 5.09 2.07 -1.92 0.11 116.25 122.23 1x5d h VAL 74 Ca -0.26 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1x5d h VAL 74 Cb 1.44 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1x5d h VAL 74 CO -0.03 0.09 -0.52 -0.07 0.02 0.00 0.00 177.57 177.07 1x5d h LEU 75 N 0.52 0.00 -0.89 2.57 3.38 -1.87 -2.72 115.31 116.31 1x5d h LEU 75 Ca 0.48 -0.80 0.23 0.00 0.09 0.00 0.00 57.88 57.89 1x5d h LEU 75 Cb 0.77 -0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.39 1x5d h LEU 75 CO -0.42 1.20 0.33 0.00 0.09 0.00 0.00 178.44 179.64 1x5d h ALA 76 N -0.20 1.38 0.01 1.53 0.00 -1.62 -0.67 119.26 119.70 1x5d h ALA 76 Ca -0.14 0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1x5d h ALA 76 Cb 1.13 0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.15 1x5d h ALA 76 CO -0.09 -0.41 -0.54 1.03 0.00 0.00 0.00 179.25 179.24 1x5d h SER 77 N 0.31 0.46 -0.88 0.00 0.87 -0.94 2.05 113.55 115.41 1x5d h SER 77 Ca 0.56 -0.78 0.19 0.00 -1.23 0.00 0.00 61.79 60.53 1x5d h SER 77 Cb 1.11 -0.14 -0.17 0.00 -0.44 0.00 0.00 62.40 62.77 1x5d h SER 77 CO -0.59 1.19 -0.14 -0.09 -0.53 0.00 0.00 176.83 176.67 1x5d h ARG 78 N -0.22 0.02 0.00 2.24 2.43 -0.80 -2.20 114.38 115.85 1x5d h ARG 78 Ca -0.07 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 1x5d h ARG 78 Cb 1.28 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1x5d h ARG 78 CO 0.11 0.01 -1.75 0.66 -1.51 0.00 0.00 179.97 177.49 1x5d n TYR 79 N -5.52 0.00 -1.07 2.20 4.02 -0.83 -5.07 117.16 110.89 1x5d n TYR 79 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.04 1x5d n TYR 79 Cb 0.51 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 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 1.72 -0.80 3.15 2.72 0.00 0.62 -5.06 105.19 107.54 1x5d n GLY 80 Ca -0.06 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.51 3.25 0.00 -0.61 -1.09 0.29 -4.85 121.20 117.69 1x5d s ILE 81 Ca 0.00 -1.79 0.00 0.00 -2.23 0.00 0.00 60.65 56.63 1x5d s ILE 81 Cb 0.00 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 1x5d s ILE 81 CO 0.00 -0.49 0.00 -2.11 -1.23 0.00 0.00 174.94 171.11 1x5d n ARG 82 N 4.62 3.46 -3.72 2.79 1.85 -1.26 -4.90 116.66 119.50 1x5d n ARG 82 Ca -0.06 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.42 1x5d n ARG 82 Cb 0.42 -0.59 -0.10 0.00 -1.05 0.00 0.00 32.46 31.14 1x5d n ARG 82 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1x5d s GLY 83 N -1.05 2.21 0.17 2.89 0.00 -1.26 -5.08 107.32 105.20 1x5d s GLY 83 Ca 0.00 -2.84 0.01 0.00 0.00 0.00 0.00 44.72 41.89 1x5d s GLY 83 CO 0.00 1.07 0.33 -1.36 0.00 0.00 0.00 173.10 173.13 1x5d s PHE 84 N 0.66 3.48 0.64 1.90 0.08 -1.26 -3.98 117.98 119.50 1x5d s PHE 84 Ca 0.12 0.20 -0.16 0.00 0.12 0.00 0.00 56.93 57.20 1x5d s PHE 84 Cb -0.22 -1.73 -0.01 0.00 -0.57 0.00 0.00 43.02 40.49 1x5d s PHE 84 CO -0.04 0.46 1.11 -1.25 -0.10 0.00 0.00 175.22 175.41 1x5d s PRO 85 N -3.28 2.92 -0.11 0.24 0.04 -1.26 -4.95 135.00 128.60 1x5d s PRO 85 Ca 0.36 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 1x5d s PRO 85 Cb -0.11 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.50 1x5d s PRO 85 CO 0.29 -1.17 0.00 0.99 0.04 0.00 0.00 177.00 177.16 1x5d s THR 86 N -2.23 0.46 -0.15 1.26 2.01 -0.39 -4.96 115.64 111.65 1x5d s THR 86 Ca 0.68 -0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.56 1x5d s THR 86 Cb -0.21 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.57 1x5d s THR 86 CO 0.39 0.14 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.79 1x5d s ILE 87 N 1.92 3.87 -0.03 1.82 1.01 -1.25 0.10 121.20 128.64 1x5d s ILE 87 Ca 0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 60.65 60.29 1x5d s ILE 87 Cb -0.14 -2.68 0.02 0.00 0.01 0.00 0.00 42.46 39.67 1x5d s ILE 87 CO -0.06 0.51 0.07 -0.54 0.00 0.00 0.00 174.94 174.92 1x5d s LYS 88 N 0.22 0.06 0.07 2.79 -0.14 -0.52 -1.61 119.74 120.60 1x5d s LYS 88 Ca -0.03 0.16 -0.11 0.00 -1.36 0.00 0.00 55.97 54.63 1x5d s LYS 88 Cb -0.14 -0.05 -0.06 0.00 -1.68 0.00 0.00 37.83 35.90 1x5d s LYS 88 CO 0.03 -0.07 0.42 0.42 -0.76 0.00 0.00 175.35 175.39 1x5d s ILE 89 N 0.43 5.05 -0.09 2.17 1.09 -1.14 -1.82 121.20 126.90 1x5d s ILE 89 Ca -0.03 0.58 -0.01 0.00 -1.10 0.00 0.00 60.65 60.09 1x5d s ILE 89 Cb -0.05 -3.67 0.03 0.00 -1.06 0.00 0.00 42.46 37.71 1x5d s ILE 89 CO -0.02 0.34 -0.05 -0.36 -0.10 0.00 0.00 174.94 174.76 1x5d s PHE 90 N -1.34 1.13 0.17 3.97 0.40 -1.11 -1.02 117.98 120.19 1x5d s PHE 90 Ca 0.32 -0.49 0.06 0.00 -0.60 0.00 0.00 56.93 56.22 1x5d s PHE 90 Cb -0.15 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 42.31 1x5d s PHE 90 CO 0.17 -0.42 0.05 -0.65 0.70 0.00 0.00 175.22 175.08 1x5d s GLN 91 N 1.74 2.61 -0.59 0.44 -0.21 -1.26 -2.62 119.66 119.76 1x5d s GLN 91 Ca 0.04 -1.01 -0.26 0.00 0.02 0.00 0.00 55.36 54.14 1x5d s GLN 91 Cb -0.13 -2.47 -0.03 0.00 1.00 0.00 0.00 33.01 31.38 1x5d s GLN 91 CO -0.06 0.47 1.98 0.21 -2.12 0.00 0.00 175.29 175.76 1x5d s LYS 92 N -3.00 2.51 0.00 2.91 2.47 -1.26 -3.25 119.74 120.11 1x5d s LYS 92 Ca 0.29 0.76 0.00 0.00 -1.56 0.00 0.00 55.97 55.45 1x5d s LYS 92 Cb -0.10 -4.45 0.00 0.00 -1.46 0.00 0.00 37.83 31.83 1x5d s LYS 92 CO 0.21 -2.87 0.00 0.41 0.16 0.00 0.00 175.35 173.25 1x5d n GLY 93 N 5.79 2.27 3.62 5.54 0.00 -1.26 -5.01 105.19 116.14 1x5d n GLY 93 Ca 0.24 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.11 0.25 1.61 2.02 -1.20 -5.01 118.70 116.26 1x5d s GLU 94 Ca 0.00 0.53 -0.21 0.00 0.02 0.00 0.00 54.97 55.31 1x5d s GLU 94 Cb 0.00 -1.67 -0.09 0.00 0.10 0.00 0.00 34.13 32.47 1x5d s GLU 94 CO 0.00 -3.10 0.77 0.45 0.02 0.00 0.00 175.26 173.41 1x5d s SER 95 N -3.25 7.12 0.79 -0.19 0.15 -1.26 -4.37 113.70 112.69 1x5d s SER 95 Ca 0.66 1.51 -0.11 0.00 0.70 0.00 0.00 55.95 58.72 1x5d s SER 95 Cb -0.20 -2.45 0.07 0.00 -1.71 0.00 0.00 66.02 61.73 1x5d s SER 95 CO 0.59 0.01 1.09 -2.16 1.20 0.00 0.00 173.24 173.97 1x5d s PRO 96 N -2.01 2.08 0.37 5.44 0.04 -1.26 -4.59 135.00 135.07 1x5d s PRO 96 Ca 0.45 1.11 0.08 0.00 0.04 0.00 0.00 61.00 62.67 1x5d s PRO 96 Cb -0.17 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1x5d s PRO 96 CO 0.21 -1.75 0.20 0.08 0.04 0.00 0.00 177.00 175.78 1x5d s VAL 97 N -2.91 2.85 -0.68 -0.36 1.01 -0.19 -4.92 120.40 115.21 1x5d s VAL 97 Ca 0.62 -1.62 0.05 0.00 0.00 0.00 0.00 61.98 61.03 1x5d s VAL 97 Cb -0.17 -3.00 0.16 0.00 0.00 0.00 0.00 36.38 33.37 1x5d s VAL 97 CO 0.56 -0.11 0.46 -1.81 0.00 0.00 0.00 175.10 174.20 1x5d s ASP 98 N -3.91 4.77 -0.36 3.32 1.11 -1.26 -2.87 116.67 117.47 1x5d s ASP 98 Ca 0.40 -3.70 -0.29 0.00 0.18 0.00 0.00 52.55 49.15 1x5d s ASP 98 Cb -0.01 -1.65 -0.01 0.00 1.07 0.00 0.00 42.92 42.32 1x5d s ASP 98 CO 0.24 -0.11 1.62 -0.47 1.18 0.00 0.00 175.17 177.62 1x5d s TYR 99 N -1.24 2.09 -0.25 4.23 6.14 -0.63 -4.84 117.35 122.85 1x5d s TYR 99 Ca 0.23 0.64 0.18 0.00 0.64 0.00 0.00 57.07 58.77 1x5d s TYR 99 Cb -0.09 -4.21 0.49 0.00 0.42 0.00 0.00 41.96 38.58 1x5d s TYR 99 CO -0.13 -2.52 1.14 -0.40 0.64 0.00 0.00 175.55 174.27 1x5d n ASP 100 N 9.53 2.45 0.00 4.32 5.75 -1.26 -3.79 116.55 133.55 1x5d n ASP 100 Ca 0.20 -2.55 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 1x5d n ASP 100 Cb 0.47 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1x5d n ASP 100 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x5d n GLY 101 N -0.57 4.30 3.52 6.12 0.00 -1.26 -5.04 105.19 112.25 1x5d n GLY 101 Ca 0.17 -1.74 -0.58 0.00 0.00 0.00 0.00 46.02 43.87 1x5d n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5d n GLY 102 N 5.00 -0.13 2.55 -0.02 0.00 -1.26 -4.85 105.19 106.48 1x5d n GLY 102 Ca 0.00 0.75 -0.35 0.00 0.00 0.00 0.00 46.02 46.42 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 1.72 2.89 -4.24 1.61 0.63 -1.26 -4.26 116.66 113.76 1x5d n ARG 103 Ca 0.20 -3.61 -0.17 0.00 -0.92 0.00 0.00 57.85 53.35 1x5d n ARG 103 Cb 0.10 -2.28 -0.11 0.00 0.45 0.00 0.00 32.46 30.62 1x5d n ARG 103 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1x5d s THR 104 N -4.99 1.29 0.48 5.15 2.01 -1.26 -4.91 115.64 113.41 1x5d s THR 104 Ca 0.56 -1.78 0.24 0.00 0.31 0.00 0.00 61.69 61.03 1x5d s THR 104 Cb 0.46 -1.58 0.42 0.00 0.01 0.00 0.00 72.50 71.81 1x5d s THR 104 CO -0.19 -0.48 1.89 0.08 -0.69 0.00 0.00 174.62 175.22 1x5d h ARG 105 N 3.38 0.19 0.68 4.92 0.11 -1.80 0.77 114.38 122.63 1x5d h ARG 105 Ca -0.39 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 59.65 1x5d h ARG 105 Cb 1.20 -0.04 0.01 0.00 1.11 0.00 0.00 29.97 32.24 1x5d h ARG 105 CO 0.53 0.13 -0.33 0.77 0.10 0.00 0.00 179.97 181.17 1x5d h SER 106 N 0.20 -0.77 0.62 0.08 0.02 -1.96 -1.54 113.55 110.20 1x5d h SER 106 Ca 0.42 0.03 -0.03 0.00 -0.84 0.00 0.00 61.79 61.37 1x5d h SER 106 Cb 1.34 0.20 0.01 0.00 0.14 0.00 0.00 62.40 64.09 1x5d h SER 106 CO -0.09 -0.51 -0.30 0.44 -1.14 0.00 0.00 176.83 175.24 1x5d h ASP 107 N -1.00 -0.70 -0.95 3.07 3.32 -1.73 -0.79 116.42 117.63 1x5d h ASP 107 Ca -0.09 -0.00 0.29 0.00 0.02 0.00 0.00 57.03 57.25 1x5d h ASP 107 Cb 0.70 0.18 -0.15 0.00 0.22 0.00 0.00 39.33 40.28 1x5d h ASP 107 CO 0.15 -0.45 0.37 0.40 -1.72 0.00 0.00 179.24 178.00 1x5d h ILE 108 N -0.91 0.24 0.05 0.35 2.04 -0.96 0.39 117.51 118.71 1x5d h ILE 108 Ca -0.08 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1x5d h ILE 108 Cb 0.66 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1x5d h ILE 108 CO 0.14 0.04 -0.02 0.58 0.00 0.00 0.00 178.15 178.88 1x5d h VAL 109 N 0.21 1.27 -0.86 1.67 2.07 -1.06 -2.95 116.25 116.60 1x5d h VAL 109 Ca 0.66 -1.13 0.22 0.00 0.82 0.00 0.00 66.70 67.27 1x5d h VAL 109 Cb 1.47 2.00 -0.15 0.00 -1.52 0.00 0.00 31.29 33.09 1x5d h VAL 109 CO -0.68 0.28 0.11 -1.28 0.02 0.00 0.00 177.57 176.02 1x5d h SER 110 N -0.58 -0.23 0.73 0.57 0.87 0.56 -1.67 113.55 113.80 1x5d h SER 110 Ca -0.01 0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 1x5d h SER 110 Cb 0.51 0.35 0.01 0.00 -0.44 0.00 0.00 62.40 62.82 1x5d h SER 110 CO 0.01 -0.21 -0.35 -0.09 -0.53 0.00 0.00 176.83 175.66 1x5d h ARG 111 N 0.12 -0.95 -0.97 2.24 9.65 -1.34 -2.79 114.38 120.34 1x5d h ARG 111 Ca 0.52 0.06 0.36 0.00 -1.10 0.00 0.00 59.98 59.82 1x5d h ARG 111 Cb 1.01 0.22 -0.12 0.00 -1.39 0.00 0.00 29.97 29.68 1x5d h ARG 111 CO -0.72 -0.63 0.60 0.00 2.80 0.00 0.00 179.97 182.01 1x5d n ALA 112 N -2.55 0.98 -0.04 2.80 0.00 -0.67 0.19 120.51 121.23 1x5d n ALA 112 Ca -0.12 0.72 -0.13 0.00 0.00 0.00 0.00 53.44 53.90 1x5d n ALA 112 Cb 0.39 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 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 0.21 -1.37 0.00 3.38 -1.21 -0.05 115.31 116.27 1x5d h LEU 113 Ca 0.68 -0.48 0.30 0.00 0.09 0.00 0.00 57.88 58.47 1x5d h LEU 113 Cb 2.06 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 42.65 1x5d h LEU 113 CO -0.44 0.65 0.70 -0.78 0.09 0.00 0.00 178.44 178.66 1x5d h ASP 114 N -0.22 0.40 0.07 -0.43 1.82 0.24 0.24 116.42 118.53 1x5d h ASP 114 Ca 0.01 0.10 -0.21 0.00 -0.39 0.00 0.00 57.03 56.54 1x5d h ASP 114 Cb 0.59 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 1x5d h ASP 114 CO 0.02 0.03 -1.09 -0.07 -1.61 0.00 0.00 179.24 176.52 1x5d h LEU 115 N 0.33 0.23 -0.22 2.28 3.38 -1.40 -3.39 115.31 116.52 1x5d h LEU 115 Ca 0.64 -0.80 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1x5d h LEU 115 Cb 1.73 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 42.33 1x5d h LEU 115 CO -0.32 1.46 -0.40 0.15 0.09 0.00 0.00 178.44 179.42 1x5d h PHE 116 N -0.60 -1.14 -0.85 1.13 3.57 0.28 0.26 116.94 119.61 1x5d h PHE 116 Ca -0.25 0.05 0.32 0.00 3.53 0.00 0.00 57.97 61.63 1x5d h PHE 116 Cb 1.51 0.53 -0.12 0.00 2.79 0.00 0.00 35.95 40.66 1x5d h PHE 116 CO 0.15 -0.45 0.50 0.45 -2.23 0.00 0.00 178.31 176.73 1x5d n SER 117 N -5.43 0.21 -0.06 0.41 2.88 -0.05 -0.57 113.62 111.01 1x5d n SER 117 Ca -0.03 1.12 -0.05 0.00 -1.33 0.00 0.00 58.87 58.59 1x5d n SER 117 Cb 0.35 -0.55 -0.02 0.00 -0.75 0.00 0.00 64.21 63.25 1x5d n SER 117 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1x5d n ASP 118 N -4.43 1.53 -0.02 -3.46 -0.08 -0.17 -4.65 116.55 105.26 1x5d n ASP 118 Ca 0.28 0.48 -0.01 0.00 -1.51 0.00 0.00 54.79 54.03 1x5d n ASP 118 Cb 1.03 -0.77 -0.01 0.00 2.34 0.00 0.00 41.12 43.70 1x5d n ASP 118 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1x5d h ASN 119 N -0.83 -0.17 -1.95 1.67 2.35 0.60 -3.42 115.58 113.83 1x5d h ASN 119 Ca 0.00 0.02 -0.48 0.00 -0.55 0.00 0.00 56.30 55.29 1x5d h ASN 119 Cb 0.55 0.07 0.24 0.00 0.05 0.00 0.00 38.32 39.23 1x5d h ASN 119 CO 0.00 -0.03 -1.68 0.00 -1.65 0.00 0.00 177.43 174.07 1x5d n ALA 120 N -2.87 -4.71 -1.77 -0.83 0.00 0.27 -4.90 120.51 105.70 1x5d n ALA 120 Ca -0.00 -1.20 -0.36 0.00 0.00 0.00 0.00 53.44 51.88 1x5d n ALA 120 Cb 0.03 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -2.83 3.54 0.97 0.00 0.04 -1.26 -4.91 135.00 130.55 1x5d s PRO 121 Ca 0.48 1.68 -0.12 0.00 0.04 0.00 0.00 61.00 63.08 1x5d s PRO 121 Cb -0.06 -2.19 0.17 0.00 0.04 0.00 0.00 34.50 32.47 1x5d s PRO 121 CO 0.68 -0.71 1.09 -1.25 0.04 0.00 0.00 177.00 176.85 1x5d s PRO 122 N -3.02 0.62 0.00 0.56 0.04 -1.26 -5.03 135.00 126.92 1x5d s PRO 122 Ca 0.69 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1x5d s PRO 122 Cb -0.26 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1x5d s PRO 122 CO 0.30 -2.62 0.00 -0.35 0.04 0.00 0.00 177.00 174.37 1x5d n PRO 123 N -4.11 -0.08 -1.30 0.56 -0.04 -1.26 -4.95 135.00 123.82 1x5d n PRO 123 Ca 0.06 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 1x5d n PRO 123 Cb 0.57 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.15 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 -0.81 2.53 -3.58 0.54 4.07 -1.26 -4.96 120.64 117.18 1x5d n GLU 124 Ca 0.00 -3.33 -0.08 0.00 -0.06 0.00 0.00 57.16 53.69 1x5d n GLU 124 Cb 0.00 -2.16 -0.02 0.00 -0.06 0.00 0.00 31.44 29.20 1x5d n GLU 124 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 1x5d s LEU 125 N -3.54 -0.36 -0.12 4.31 -0.00 -1.26 -5.14 118.68 112.57 1x5d s LEU 125 Ca 0.57 -0.15 -0.25 0.00 -0.00 0.00 0.00 54.13 54.30 1x5d s LEU 125 Cb 0.47 2.25 -0.02 0.00 -0.00 0.00 0.00 46.19 48.88 1x5d s LEU 125 CO 0.03 -0.83 0.78 -0.76 -0.00 0.00 0.00 176.35 175.57 1x5d s LEU 126 N -2.69 4.24 0.14 1.48 1.43 -1.26 -4.89 118.68 117.12 1x5d s LEU 126 Ca 0.06 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 1x5d s LEU 126 Cb -0.02 -3.18 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1x5d s LEU 126 CO -0.06 -0.28 0.00 1.21 0.23 0.00 0.00 176.35 177.45 1x5d n GLU 127 N 4.60 0.00 -4.12 1.70 4.07 -1.26 -5.11 120.64 120.51 1x5d n GLU 127 Ca 0.02 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.97 1x5d n GLU 127 Cb 0.50 -0.24 -0.13 0.00 -0.06 0.00 0.00 31.44 31.51 1x5d n GLU 127 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1x5d s SER 128 N -5.33 0.79 -0.64 4.31 0.15 -1.26 -5.06 113.70 106.66 1x5d s SER 128 Ca 0.00 -0.34 -0.28 0.00 0.70 0.00 0.00 55.95 56.03 1x5d s SER 128 Cb 0.00 -0.02 -0.16 0.00 -1.71 0.00 0.00 66.02 64.13 1x5d s SER 128 CO 0.00 -0.07 1.95 0.61 1.20 0.00 0.00 173.24 176.93 1x5d n GLY 129 N 2.15 -0.29 3.59 9.45 0.00 -1.26 -4.87 105.19 113.97 1x5d n GLY 129 Ca -0.18 0.89 -0.30 0.00 0.00 0.00 0.00 46.02 46.43 1x5d n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5d s PRO 130 N 6.19 -1.20 0.06 1.61 0.04 -1.26 -5.09 135.00 135.34 1x5d s PRO 130 Ca 1.02 -0.06 0.02 0.00 0.04 0.00 0.00 61.00 62.01 1x5d s PRO 130 Cb -1.05 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.86 1x5d s PRO 130 CO 0.43 -3.70 -0.06 0.45 0.04 0.00 0.00 177.00 174.16 1x5d s SER 131 N -3.89 0.83 0.42 6.66 0.15 -1.26 -5.17 113.70 111.44 1x5d s SER 131 Ca 0.71 -0.71 0.03 0.00 0.70 0.00 0.00 55.95 56.68 1x5d s SER 131 Cb -0.10 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 64.26 1x5d s SER 131 CO 0.56 -0.33 0.09 -0.44 1.20 0.00 0.00 173.24 174.33 1x5d s SER 132 N -2.10 3.05 0.00 5.45 0.01 -1.26 -5.12 113.70 113.72 1x5d s SER 132 Ca -0.03 -1.64 0.01 0.00 1.31 0.00 0.00 55.95 55.60 1x5d s SER 132 Cb -0.04 0.44 0.01 0.00 0.21 0.00 0.00 66.02 66.64 1x5d s SER 132 CO -0.02 -0.88 0.54 0.61 0.41 0.00 0.00 173.24 173.90