#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 6.33 -1.09 1.61 1.04 -1.26 -4.94 113.70 115.39 1x5d s SER 2 Ca 0.00 1.64 -0.08 0.00 0.48 0.00 0.00 55.95 57.99 1x5d s SER 2 Cb 0.00 -2.53 0.27 0.00 0.10 0.00 0.00 66.02 63.86 1x5d s SER 2 CO 0.00 -1.30 1.08 -0.94 0.98 0.00 0.00 173.24 173.06 1x5d s SER 3 N 4.47 7.20 0.00 7.02 1.04 -1.26 -4.89 113.70 127.28 1x5d s SER 3 Ca 0.73 -3.61 0.00 0.00 0.48 0.00 0.00 55.95 53.55 1x5d s SER 3 Cb -0.26 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1x5d s SER 3 CO 0.30 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1x5d n GLY 4 N 2.67 4.07 0.25 7.32 0.00 -1.26 -4.73 105.19 113.50 1x5d n GLY 4 Ca 0.24 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 1x5d n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x5d h SER 5 N 0.00 -0.46 -0.02 1.61 0.02 -1.98 -3.34 113.55 109.38 1x5d h SER 5 Ca 0.00 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1x5d h SER 5 Cb 0.00 0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 1x5d h SER 5 CO 0.00 -0.03 0.01 0.28 -1.14 0.00 0.00 176.83 175.95 1x5d h SER 6 N -1.08 0.03 0.00 3.07 0.02 -1.98 -3.49 113.55 110.12 1x5d h SER 6 Ca -0.06 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1x5d h SER 6 Cb 0.50 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1x5d h SER 6 CO 0.09 0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 1x5d n GLY 7 N -0.93 -0.89 1.21 -3.77 0.00 -1.25 -4.73 105.19 94.82 1x5d n GLY 7 Ca -0.07 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 3.49 -4.75 1.61 2.03 -1.26 -4.28 116.55 113.39 1x5d n ASP 8 Ca 0.00 -2.40 -0.41 0.00 0.52 0.00 0.00 54.79 52.50 1x5d n ASP 8 Cb 0.00 -0.52 -0.02 0.00 -0.72 0.00 0.00 41.12 39.86 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 -1.87 2.16 -0.08 5.18 1.01 -1.26 -4.89 120.40 120.65 1x5d s VAL 9 Ca 0.33 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.41 1x5d s VAL 9 Cb 0.23 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1x5d s VAL 9 CO 0.13 0.02 0.09 -0.63 0.00 0.00 0.00 175.10 174.71 1x5d s ILE 10 N 0.08 4.99 -0.26 2.22 1.01 -1.22 -4.95 121.20 123.06 1x5d s ILE 10 Ca 0.63 -0.06 -0.12 0.00 0.00 0.00 0.00 60.65 61.10 1x5d s ILE 10 Cb -0.47 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1x5d s ILE 10 CO 0.46 0.55 0.23 -0.70 0.00 0.00 0.00 174.94 175.48 1x5d s GLU 11 N -1.15 4.00 0.42 2.79 2.12 -1.26 -1.37 118.70 124.25 1x5d s GLU 11 Ca 0.16 -0.22 0.07 0.00 0.36 0.00 0.00 54.97 55.34 1x5d s GLU 11 Cb -0.12 -3.62 -0.07 0.00 0.26 0.00 0.00 34.13 30.58 1x5d s GLU 11 CO 0.06 -0.13 0.06 -0.51 -0.54 0.00 0.00 175.26 174.20 1x5d s LEU 12 N 1.62 2.89 0.00 2.70 1.43 -1.23 -5.03 118.68 121.07 1x5d s LEU 12 Ca 0.09 -1.32 0.03 0.00 -1.03 0.00 0.00 54.13 51.90 1x5d s LEU 12 Cb -0.15 -1.03 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 1x5d s LEU 12 CO 0.09 -0.52 0.09 0.35 0.23 0.00 0.00 176.35 176.60 1x5d n THR 13 N -1.07 0.00 0.26 5.49 -2.24 -1.26 -4.80 114.28 110.65 1x5d n THR 13 Ca -0.05 -1.76 0.12 0.00 -2.27 0.00 0.00 64.05 60.09 1x5d n THR 13 Cb 0.66 0.59 0.70 0.00 -2.10 0.00 0.00 70.33 70.18 1x5d n THR 13 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1x5d h ASP 14 N 1.15 0.00 0.00 3.42 3.04 -1.98 0.17 116.42 122.23 1x5d h ASP 14 Ca -0.25 0.00 -0.34 0.00 -3.24 0.00 0.00 57.03 53.20 1x5d h ASP 14 Cb 0.91 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.14 1x5d h ASP 14 CO 0.40 0.13 -2.15 -0.67 -2.04 0.00 0.00 179.24 174.91 1x5d n ASP 15 N -3.66 1.55 0.29 4.15 -0.08 -1.26 -4.50 116.55 113.04 1x5d n ASP 15 Ca -0.02 0.22 0.16 0.00 -1.51 0.00 0.00 54.79 53.64 1x5d n ASP 15 Cb 0.25 -0.58 0.88 0.00 2.34 0.00 0.00 41.12 44.01 1x5d n ASP 15 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1x5d h SER 16 N -0.67 0.00 -0.34 1.67 0.02 -1.95 -1.99 113.55 110.29 1x5d h SER 16 Ca -0.52 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.53 1x5d h SER 16 Cb 1.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 1x5d h SER 16 CO -0.30 0.05 0.24 0.15 -1.14 0.00 0.00 176.83 175.84 1x5d h PHE 17 N 0.00 0.00 0.06 3.45 3.04 -1.18 0.34 116.94 122.66 1x5d h PHE 17 Ca -0.00 0.00 -0.35 0.00 3.98 0.00 0.00 57.97 61.60 1x5d h PHE 17 Cb 0.17 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 38.65 1x5d h PHE 17 CO 0.00 0.00 -2.01 -0.40 -2.02 0.00 0.00 178.31 173.88 1x5d n ASP 18 N -4.43 2.03 0.08 0.41 5.75 -0.77 -2.76 116.55 116.86 1x5d n ASP 18 Ca 0.05 0.19 0.07 0.00 -0.01 0.00 0.00 54.79 55.10 1x5d n ASP 18 Cb 0.42 -0.79 0.36 0.00 -1.03 0.00 0.00 41.12 40.08 1x5d n ASP 18 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1x5d n LYS 19 N -3.70 0.09 -0.11 0.11 -0.00 -1.00 -0.08 118.16 113.47 1x5d n LYS 19 Ca -0.37 0.49 -0.18 0.00 -0.00 0.00 0.00 58.31 58.25 1x5d n LYS 19 Cb 0.95 -1.74 -0.10 0.00 -0.00 0.00 0.00 35.03 34.14 1x5d n LYS 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1x5d n ASN 20 N -1.92 2.13 -0.03 -5.58 3.02 0.08 -4.16 115.26 108.80 1x5d n ASN 20 Ca 0.01 -0.02 -0.01 0.00 -0.03 0.00 0.00 54.58 54.52 1x5d n ASN 20 Cb 0.09 -0.43 -0.00 0.00 -0.61 0.00 0.00 39.78 38.82 1x5d n ASN 20 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1x5d h VAL 21 N -0.21 0.00 -0.71 2.41 2.07 -1.31 -3.22 116.25 115.28 1x5d h VAL 21 Ca -0.52 -0.53 0.10 0.00 0.82 0.00 0.00 66.70 66.57 1x5d h VAL 21 Cb 1.70 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 1x5d h VAL 21 CO -0.15 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.71 1x5d h LEU 22 N -0.53 0.41 0.00 2.57 3.38 -0.69 0.45 115.31 120.89 1x5d h LEU 22 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1x5d h LEU 22 Cb 0.15 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1x5d h LEU 22 CO 0.00 0.22 0.00 -0.67 0.09 0.00 0.00 178.44 178.08 1x5d n ASP 23 N -4.90 0.00 -3.89 -0.43 -0.08 -0.69 -4.54 116.55 102.01 1x5d n ASP 23 Ca 0.11 -1.11 -0.28 0.00 -1.51 0.00 0.00 54.79 52.00 1x5d n ASP 23 Cb 0.30 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.60 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 -1.64 2.90 0.31 1.67 0.15 0.16 -4.94 113.70 112.31 1x5d s SER 24 Ca 0.19 -0.70 0.21 0.00 0.70 0.00 0.00 55.95 56.35 1x5d s SER 24 Cb 0.09 -0.93 1.14 0.00 -1.71 0.00 0.00 66.02 64.61 1x5d s SER 24 CO 0.14 -0.19 1.65 -0.62 1.20 0.00 0.00 173.24 175.43 1x5d n GLU 25 N 4.86 0.14 -2.24 5.44 1.02 -1.26 -4.66 120.64 123.94 1x5d n GLU 25 Ca -0.12 0.62 -0.33 0.00 -0.02 0.00 0.00 57.16 57.31 1x5d n GLU 25 Cb 0.47 -1.95 -0.01 0.00 -0.02 0.00 0.00 31.44 29.94 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 -4.03 6.14 0.19 1.62 1.01 -1.26 -4.57 116.67 115.77 1x5d s ASP 26 Ca -0.02 1.76 -0.30 0.00 0.71 0.00 0.00 52.55 54.70 1x5d s ASP 26 Cb 0.06 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.38 1x5d s ASP 26 CO 0.21 -0.92 1.16 -0.69 0.21 0.00 0.00 175.17 175.15 1x5d s VAL 27 N -2.43 3.65 -0.21 -1.27 1.01 -1.25 -4.79 120.40 115.11 1x5d s VAL 27 Ca 0.63 1.41 0.01 0.00 0.00 0.00 0.00 61.98 64.03 1x5d s VAL 27 Cb -0.14 -3.90 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1x5d s VAL 27 CO 0.32 0.24 -0.12 0.26 0.00 0.00 0.00 175.10 175.80 1x5d s TRP 28 N -0.18 2.63 -0.51 5.22 0.52 -1.16 -1.52 118.94 123.93 1x5d s TRP 28 Ca 0.51 -1.74 -0.22 0.00 0.02 0.00 0.00 56.10 54.68 1x5d s TRP 28 Cb -0.32 -1.74 0.04 0.00 -1.15 0.00 0.00 33.47 30.31 1x5d s TRP 28 CO 0.37 -0.78 0.77 -1.64 0.02 0.00 0.00 176.95 175.69 1x5d s MET 29 N 1.32 3.25 -0.08 4.98 -1.94 -0.41 -3.10 119.30 123.33 1x5d s MET 29 Ca -0.02 -0.51 -0.19 0.00 -1.71 0.00 0.00 55.69 53.26 1x5d s MET 29 Cb -0.16 -4.05 -0.04 0.00 2.01 0.00 0.00 34.83 32.58 1x5d s MET 29 CO -0.08 -1.30 0.52 0.08 -0.01 0.00 0.00 175.02 174.22 1x5d s VAL 30 N 3.26 5.10 -0.28 -6.03 1.01 -0.60 -0.14 120.40 122.72 1x5d s VAL 30 Ca 0.23 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1x5d s VAL 30 Cb -0.15 -3.86 0.08 0.00 0.00 0.00 0.00 36.38 32.45 1x5d s VAL 30 CO 0.17 0.36 0.04 -0.70 0.00 0.00 0.00 175.10 174.96 1x5d s GLU 31 N 0.34 1.11 -0.06 2.72 2.56 -0.79 -0.83 118.70 123.75 1x5d s GLU 31 Ca 0.28 -1.12 -0.30 0.00 0.00 0.00 0.00 54.97 53.83 1x5d s GLU 31 Cb -0.16 -2.40 -0.02 0.00 2.00 0.00 0.00 34.13 33.54 1x5d s GLU 31 CO 0.13 -0.82 1.04 -0.06 -0.56 0.00 0.00 175.26 174.98 1x5d s PHE 32 N 1.45 3.50 0.17 5.30 0.40 0.19 -1.90 117.98 127.10 1x5d s PHE 32 Ca 0.04 1.55 -0.01 0.00 -0.60 0.00 0.00 56.93 57.92 1x5d s PHE 32 Cb -0.18 -3.22 -0.04 0.00 0.51 0.00 0.00 43.02 40.09 1x5d s PHE 32 CO -0.14 -0.39 0.09 1.52 0.70 0.00 0.00 175.22 177.00 1x5d s TYR 33 N 1.71 1.06 -0.05 0.36 -0.85 -0.70 -1.10 117.35 117.79 1x5d s TYR 33 Ca 0.51 -1.28 0.06 0.00 -0.52 0.00 0.00 57.07 55.83 1x5d s TYR 33 Cb -0.21 -0.56 -0.01 0.00 0.38 0.00 0.00 41.96 41.57 1x5d s TYR 33 CO 0.22 -0.54 -0.22 0.00 -1.52 0.00 0.00 175.55 173.49 1x5d s ALA 34 N -4.05 1.90 -1.69 9.51 0.00 -1.26 -3.41 121.76 122.76 1x5d s ALA 34 Ca 0.32 -0.91 0.15 0.00 0.00 0.00 0.00 51.96 51.52 1x5d s ALA 34 Cb 0.07 -0.59 0.83 0.00 0.00 0.00 0.00 23.12 23.43 1x5d s ALA 34 CO 0.07 0.37 1.38 -0.35 0.00 0.00 0.00 175.76 177.23 1x5d n PRO 35 N 2.98 0.34 0.00 0.00 -0.04 -1.26 -2.00 135.00 135.02 1x5d n PRO 35 Ca -0.17 0.08 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 -1.15 0.00 -3.04 0.54 4.27 -1.26 -4.97 117.44 111.83 1x5d n TRP 36 Ca 0.09 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.28 1x5d n TRP 36 Cb 0.09 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 29.98 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 9.82 -0.45 -0.43 0.00 0.00 -1.93 -0.63 103.07 109.44 1x5d h GLY 38 Ca -0.25 0.33 0.30 0.00 0.00 0.00 0.00 47.33 47.71 1x5d h GLY 38 CO 0.91 -0.22 0.58 0.45 0.00 0.00 0.00 176.54 178.27 1x5d h HIS 39 N -0.44 0.94 -0.18 5.60 3.86 -1.95 0.34 115.15 123.32 1x5d h HIS 39 Ca 0.05 0.04 -0.20 0.00 -1.16 0.00 0.00 60.37 59.10 1x5d h HIS 39 Cb 0.50 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 28.73 1x5d h HIS 39 CO -0.29 -0.11 -0.65 0.00 0.86 0.00 0.00 177.93 177.73 1x5d h LYS 41 N 0.49 0.56 0.00 0.00 1.57 0.12 0.46 116.57 119.76 1x5d h LYS 41 Ca -0.03 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1x5d h LYS 41 Cb 1.28 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1x5d h LYS 41 CO 0.14 0.37 -0.33 -0.97 -0.57 0.00 0.00 179.45 178.08 1x5d h ASN 42 N 0.57 0.00 1.17 0.86 -1.24 -1.37 -3.01 115.58 112.57 1x5d h ASN 42 Ca 0.49 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.37 1x5d h ASN 42 Cb 0.99 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.02 1x5d h ASN 42 CO -0.24 0.33 -0.87 0.25 -1.29 0.00 0.00 177.43 175.62 1x5d h LEU 43 N 0.00 0.00 -0.83 0.34 5.85 -0.18 -3.36 115.31 117.13 1x5d h LEU 43 Ca -0.00 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.80 1x5d h LEU 43 Cb 0.93 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.86 1x5d h LEU 43 CO 0.04 0.54 -0.45 1.21 -0.34 0.00 0.00 178.44 179.45 1x5d n GLU 44 N -3.10 -0.32 0.05 1.25 2.13 0.14 0.49 120.64 121.28 1x5d n GLU 44 Ca -0.02 1.25 -0.05 0.00 0.66 0.00 0.00 57.16 59.00 1x5d n GLU 44 Cb 0.78 -1.85 0.15 0.00 0.27 0.00 0.00 31.44 30.79 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 0.39 -0.06 5.31 0.13 -1.77 -2.15 132.00 133.85 1x5d h PRO 45 Ca 0.17 -0.20 -0.05 0.00 -0.87 0.00 0.00 66.00 65.04 1x5d h PRO 45 Cb 0.38 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 1x5d h PRO 45 CO -0.79 0.76 -0.21 0.93 -0.23 0.00 0.00 178.00 178.47 1x5d h GLU 46 N 0.32 0.10 0.06 0.86 5.08 -0.10 -2.64 114.58 118.26 1x5d h GLU 46 Ca 0.02 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1x5d h GLU 46 Cb 0.91 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1x5d h GLU 46 CO 0.08 0.31 -1.42 2.35 -1.00 0.00 0.00 179.01 179.32 1x5d h TRP 47 N 0.10 0.25 0.68 4.33 2.91 0.08 -2.89 115.95 121.40 1x5d h TRP 47 Ca 0.02 -0.18 -0.03 0.00 1.13 0.00 0.00 58.89 59.83 1x5d h TRP 47 Cb 0.42 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.06 1x5d h TRP 47 CO 0.00 1.21 -0.37 0.00 -1.03 0.00 0.00 178.44 178.25 1x5d h ALA 48 N 0.72 -0.98 0.08 2.65 0.00 -1.07 -2.46 119.26 118.20 1x5d h ALA 48 Ca -0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1x5d h ALA 48 Cb 1.95 0.43 0.00 0.00 0.00 0.00 0.00 17.79 20.17 1x5d h ALA 48 CO 0.14 -1.06 -0.04 0.00 0.00 0.00 0.00 179.25 178.29 1x5d h ALA 49 N -0.69 -0.11 -0.89 0.00 0.00 -1.64 -2.84 119.26 113.09 1x5d h ALA 49 Ca -0.09 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.01 1x5d h ALA 49 Cb 0.77 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 18.44 1x5d h ALA 49 CO 0.12 -0.56 -0.06 0.00 0.00 0.00 0.00 179.25 178.75 1x5d h ALA 50 N 0.80 0.87 -0.81 0.00 0.00 -1.51 0.63 119.26 119.24 1x5d h ALA 50 Ca -0.01 0.31 0.09 0.00 0.00 0.00 0.00 54.91 55.30 1x5d h ALA 50 Cb 0.09 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1x5d h ALA 50 CO 0.02 -0.46 0.46 0.00 0.00 0.00 0.00 179.25 179.27 1x5d h ALA 51 N 1.87 1.14 -0.18 0.00 0.00 -1.19 0.33 119.26 121.22 1x5d h ALA 51 Ca 0.49 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.23 1x5d h ALA 51 Cb 0.89 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1x5d h ALA 51 CO -0.84 0.11 -0.66 0.77 0.00 0.00 0.00 179.25 178.62 1x5d h SER 52 N 0.79 0.81 0.93 0.00 0.02 0.13 -1.55 113.55 114.67 1x5d h SER 52 Ca 0.38 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1x5d h SER 52 Cb 0.33 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1x5d h SER 52 CO -0.23 1.26 0.00 1.21 -1.14 0.00 0.00 176.83 177.92 1x5d n GLU 53 N -3.94 0.11 -0.07 3.45 2.13 0.78 -2.06 120.64 121.05 1x5d n GLU 53 Ca -0.05 0.22 -0.22 0.00 0.66 0.00 0.00 57.16 57.76 1x5d n GLU 53 Cb 0.68 -1.66 -0.12 0.00 0.27 0.00 0.00 31.44 30.60 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 -1.86 1.63 0.19 6.31 0.31 0.11 -3.69 118.33 121.32 1x5d n VAL 54 Ca 0.05 -0.45 0.06 0.00 -0.01 0.00 0.00 64.34 63.99 1x5d n VAL 54 Cb 0.29 -1.77 0.37 0.00 -0.91 0.00 0.00 33.84 31.83 1x5d n VAL 54 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1x5d h LYS 55 N -0.36 0.00 0.00 5.55 2.10 -1.30 0.34 116.57 122.91 1x5d h LYS 55 Ca -0.48 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.07 1x5d h LYS 55 Cb 1.77 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.09 1x5d h LYS 55 CO -0.09 0.35 -0.48 1.05 -2.00 0.00 0.00 179.45 178.28 1x5d h GLU 56 N 0.00 0.00 0.03 0.07 4.11 -1.59 0.52 114.58 117.72 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 0.83 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 1x5d h GLU 56 CO 0.05 0.48 -2.26 1.04 0.07 0.00 0.00 179.01 178.38 1x5d n GLN 57 N -3.32 0.68 -0.02 1.06 6.02 -1.06 -4.21 117.38 116.54 1x5d n GLN 57 Ca 0.01 0.16 0.13 0.00 -0.01 0.00 0.00 57.00 57.30 1x5d n GLN 57 Cb 0.67 -1.60 0.59 0.00 1.02 0.00 0.00 30.24 30.92 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 -3.20 0.05 -3.21 5.09 -2.24 0.12 -4.91 114.28 105.97 1x5d n THR 58 Ca -0.37 -0.19 -0.21 0.00 -2.27 0.00 0.00 64.05 61.02 1x5d n THR 58 Cb 1.04 0.15 0.05 0.00 -2.10 0.00 0.00 70.33 69.48 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 -5.78 0.00 -0.78 4.01 -0.61 -1.52 118.16 113.31 1x5d n LYS 59 Ca 0.19 0.77 0.00 0.00 -0.51 0.00 0.00 58.31 58.76 1x5d n LYS 59 Cb 0.26 -5.47 0.00 0.00 -0.51 0.00 0.00 35.03 29.31 1x5d n LYS 59 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x5d n GLY 60 N -1.65 2.84 0.06 0.72 0.00 0.17 -4.91 105.19 102.42 1x5d n GLY 60 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 1.84 -0.08 -5.89 1.61 3.11 -1.54 -3.39 116.57 112.23 1x5d h LYS 61 Ca 0.00 0.01 -0.59 0.00 -2.81 0.00 0.00 60.65 57.26 1x5d h LYS 61 Cb 0.00 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 31.17 1x5d h LYS 61 CO 0.00 -0.05 0.45 0.08 -2.81 0.00 0.00 179.45 177.12 1x5d s VAL 62 N -3.32 4.85 0.26 2.00 1.01 -1.26 -3.91 120.40 120.03 1x5d s VAL 62 Ca -0.02 1.63 0.08 0.00 0.00 0.00 0.00 61.98 63.67 1x5d s VAL 62 Cb 0.01 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1x5d s VAL 62 CO 0.07 -0.03 0.10 -0.54 0.00 0.00 0.00 175.10 174.70 1x5d s LYS 63 N 2.51 2.63 -0.09 2.72 1.02 -0.58 -4.05 119.74 123.90 1x5d s LYS 63 Ca 0.37 -1.22 0.02 0.00 0.02 0.00 0.00 55.97 55.16 1x5d s LYS 63 Cb -0.16 -2.38 0.01 0.00 -0.52 0.00 0.00 37.83 34.79 1x5d s LYS 63 CO 0.10 0.39 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.26 1x5d s LEU 64 N -3.74 1.69 0.28 3.17 1.02 -1.26 -1.28 118.68 118.55 1x5d s LEU 64 Ca 0.32 -0.38 0.05 0.00 0.02 0.00 0.00 54.13 54.15 1x5d s LEU 64 Cb -0.07 -0.99 -0.06 0.00 0.02 0.00 0.00 46.19 45.09 1x5d s LEU 64 CO 0.22 0.03 -0.03 0.00 0.02 0.00 0.00 176.35 176.59 1x5d s ALA 65 N 0.85 2.24 0.09 4.21 0.00 0.80 -3.44 121.76 126.51 1x5d s ALA 65 Ca -0.10 -1.90 0.06 0.00 0.00 0.00 0.00 51.96 50.01 1x5d s ALA 65 Cb -0.15 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 1x5d s ALA 65 CO 0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 175.76 175.48 1x5d s ALA 66 N -3.14 1.32 0.07 0.00 0.00 -0.47 -1.89 121.76 117.66 1x5d s ALA 66 Ca 0.30 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1x5d s ALA 66 Cb 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1x5d s ALA 66 CO 0.12 0.16 -0.09 0.08 0.00 0.00 0.00 175.76 176.03 1x5d s VAL 67 N -1.55 0.73 -0.55 0.00 1.01 -0.80 -3.50 120.40 115.75 1x5d s VAL 67 Ca 0.02 -1.43 -0.09 0.00 0.00 0.00 0.00 61.98 60.48 1x5d s VAL 67 Cb -0.08 -1.08 0.14 0.00 0.00 0.00 0.00 36.38 35.36 1x5d s VAL 67 CO 0.03 -0.52 0.43 -1.81 0.00 0.00 0.00 175.10 173.22 1x5d s ASP 68 N -2.14 5.81 0.42 3.32 1.01 -1.26 -1.72 116.67 122.11 1x5d s ASP 68 Ca -0.01 -2.16 0.17 0.00 0.71 0.00 0.00 52.55 51.27 1x5d s ASP 68 Cb -0.05 -2.03 0.93 0.00 1.01 0.00 0.00 42.92 42.79 1x5d s ASP 68 CO -0.01 -0.64 1.45 0.00 0.21 0.00 0.00 175.17 176.19 1x5d h ALA 69 N 8.17 1.25 -0.05 5.23 0.00 -1.80 0.45 119.26 132.52 1x5d h ALA 69 Ca -0.14 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1x5d h ALA 69 Cb 1.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1x5d h ALA 69 CO 0.83 -0.25 -0.65 1.79 0.00 0.00 0.00 179.25 180.97 1x5d h THR 70 N 0.00 1.41 0.00 0.00 1.35 -1.91 -3.32 112.91 110.44 1x5d h THR 70 Ca 0.00 -2.12 -0.25 0.00 -0.55 0.00 0.00 66.41 63.50 1x5d h THR 70 Cb 0.65 2.10 -0.05 0.00 -1.73 0.00 0.00 68.15 69.13 1x5d h THR 70 CO 0.00 0.62 -1.96 0.52 -0.25 0.00 0.00 175.52 174.45 1x5d n VAL 71 N -3.82 0.93 -2.95 6.82 0.31 0.13 -4.90 118.33 114.84 1x5d n VAL 71 Ca -0.02 -0.59 -0.43 0.00 -0.01 0.00 0.00 64.34 63.28 1x5d n VAL 71 Cb 0.65 -0.58 -0.05 0.00 -0.91 0.00 0.00 33.84 32.95 1x5d n VAL 71 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1x5d s ASN 72 N -4.70 6.44 -0.10 4.52 0.01 0.65 -4.85 114.94 116.91 1x5d s ASN 72 Ca -0.07 -0.03 0.08 0.00 -0.71 0.00 0.00 52.86 52.13 1x5d s ASN 72 Cb 0.05 -2.39 -0.11 0.00 0.41 0.00 0.00 41.25 39.20 1x5d s ASN 72 CO 0.59 -0.91 0.02 0.00 -1.51 0.00 0.00 177.10 175.28 1x5d n GLN 73 N 6.74 2.16 -0.35 -0.60 1.13 -1.26 -3.94 117.38 121.27 1x5d n GLN 73 Ca 0.03 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.08 1x5d n GLN 73 Cb 0.48 -1.25 0.15 0.00 0.11 0.00 0.00 30.24 29.73 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 1.23 0.00 5.09 2.07 -1.92 -1.21 116.25 121.50 1x5d h VAL 74 Ca -0.26 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1x5d h VAL 74 Cb 1.57 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1x5d h VAL 74 CO 0.01 0.23 -0.41 -0.07 0.02 0.00 0.00 177.57 177.35 1x5d h LEU 75 N 1.27 0.00 -1.71 2.57 3.38 -1.87 -2.77 115.31 116.18 1x5d h LEU 75 Ca 0.36 -0.29 0.24 0.00 0.09 0.00 0.00 57.88 58.28 1x5d h LEU 75 Cb -0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1x5d h LEU 75 CO -0.09 0.87 0.81 0.00 0.09 0.00 0.00 178.44 180.13 1x5d h ALA 76 N -0.71 2.68 0.05 1.53 0.00 -1.68 0.59 119.26 121.72 1x5d h ALA 76 Ca -0.07 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.49 1x5d h ALA 76 Cb 0.61 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1x5d h ALA 76 CO -0.04 -1.25 -1.79 1.03 0.00 0.00 0.00 179.25 177.19 1x5d h SER 77 N 0.00 0.17 -0.58 0.00 0.87 -1.34 0.67 113.55 113.34 1x5d h SER 77 Ca 0.40 -0.38 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 1x5d h SER 77 Cb 2.02 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 63.90 1x5d h SER 77 CO -0.00 1.34 0.21 -0.09 -0.53 0.00 0.00 176.83 177.75 1x5d h ARG 78 N 0.03 0.89 0.00 2.24 2.43 0.42 -3.24 114.38 117.15 1x5d h ARG 78 Ca -0.33 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1x5d h ARG 78 Cb 2.02 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.43 1x5d h ARG 78 CO 0.09 0.78 -1.70 0.66 -1.51 0.00 0.00 179.97 178.30 1x5d n TYR 79 N -4.45 0.00 -1.76 2.20 4.02 -0.41 -5.02 117.16 111.75 1x5d n TYR 79 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 1x5d n TYR 79 Cb 0.19 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.15 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 1.58 0.70 3.55 2.72 0.00 0.85 -4.99 105.19 109.60 1x5d n GLY 80 Ca -0.03 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 1x5d n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5d s ILE 81 N -2.67 3.58 0.00 -0.61 -1.09 0.20 -4.64 121.20 115.96 1x5d s ILE 81 Ca 0.00 0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.78 1x5d s ILE 81 Cb 0.00 -4.47 0.00 0.00 -1.58 0.00 0.00 42.46 36.41 1x5d s ILE 81 CO 0.00 -1.40 0.00 0.54 -1.23 0.00 0.00 174.94 172.85 1x5d n ARG 82 N 9.22 2.47 -3.20 2.79 1.74 -1.26 -4.82 116.66 123.61 1x5d n ARG 82 Ca 0.11 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.73 1x5d n ARG 82 Cb 0.50 -0.83 -0.03 0.00 -1.02 0.00 0.00 32.46 31.08 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 -2.05 2.17 0.18 -0.13 0.00 -1.26 -5.04 107.32 101.19 1x5d s GLY 83 Ca 0.00 -2.75 -0.01 0.00 0.00 0.00 0.00 44.72 41.96 1x5d s GLY 83 CO 0.00 1.45 0.36 -1.36 0.00 0.00 0.00 173.10 173.55 1x5d s PHE 84 N 1.58 3.49 0.64 1.90 0.08 -1.26 -3.96 117.98 120.45 1x5d s PHE 84 Ca 0.15 0.32 -0.16 0.00 0.12 0.00 0.00 56.93 57.36 1x5d s PHE 84 Cb -0.18 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 1x5d s PHE 84 CO -0.02 0.42 1.11 -1.25 -0.10 0.00 0.00 175.22 175.38 1x5d s PRO 85 N -3.21 2.90 -0.09 0.24 0.04 -1.26 -4.89 135.00 128.73 1x5d s PRO 85 Ca 0.38 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.84 1x5d s PRO 85 Cb -0.11 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.50 1x5d s PRO 85 CO 0.28 -1.18 -0.02 0.99 0.04 0.00 0.00 177.00 177.12 1x5d s THR 86 N -2.24 0.60 -0.16 1.26 2.01 -0.26 -4.98 115.64 111.87 1x5d s THR 86 Ca 0.68 -0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.61 1x5d s THR 86 Cb -0.21 -0.73 -0.01 0.00 0.01 0.00 0.00 72.50 71.56 1x5d s THR 86 CO 0.39 0.27 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.86 1x5d s ILE 87 N 1.88 3.22 0.00 1.82 1.01 -1.26 0.57 121.20 128.44 1x5d s ILE 87 Ca 0.05 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1x5d s ILE 87 Cb -0.13 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 39.94 1x5d s ILE 87 CO -0.06 0.49 -0.08 -0.54 0.00 0.00 0.00 174.94 174.75 1x5d s LYS 88 N 0.70 0.59 -0.10 2.79 -0.14 -0.01 -2.21 119.74 121.36 1x5d s LYS 88 Ca -0.05 -0.36 -0.03 0.00 -1.36 0.00 0.00 55.97 54.17 1x5d s LYS 88 Cb -0.15 -0.54 -0.03 0.00 -1.68 0.00 0.00 37.83 35.42 1x5d s LYS 88 CO 0.02 0.14 0.03 0.42 -0.76 0.00 0.00 175.35 175.21 1x5d s ILE 89 N -0.38 4.57 -0.07 2.17 1.09 -0.95 -1.55 121.20 126.09 1x5d s ILE 89 Ca 0.01 -0.14 0.02 0.00 -1.10 0.00 0.00 60.65 59.44 1x5d s ILE 89 Cb -0.04 -2.95 0.01 0.00 -1.06 0.00 0.00 42.46 38.43 1x5d s ILE 89 CO -0.00 0.60 -0.11 -0.36 -0.10 0.00 0.00 174.94 174.96 1x5d s PHE 90 N -0.82 1.41 -0.04 3.97 0.40 -1.18 -0.85 117.98 120.87 1x5d s PHE 90 Ca 0.13 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 55.96 1x5d s PHE 90 Cb -0.12 -1.05 0.01 0.00 0.51 0.00 0.00 43.02 42.38 1x5d s PHE 90 CO 0.03 -0.28 -0.09 -0.65 0.70 0.00 0.00 175.22 174.92 1x5d s GLN 91 N 0.72 1.16 0.47 0.44 1.11 -1.26 -3.00 119.66 119.30 1x5d s GLN 91 Ca -0.14 -0.31 -0.24 0.00 0.01 0.00 0.00 55.36 54.68 1x5d s GLN 91 Cb -0.16 -1.05 -0.07 0.00 -1.01 0.00 0.00 33.01 30.73 1x5d s GLN 91 CO 0.03 0.06 1.39 0.21 0.01 0.00 0.00 175.29 177.00 1x5d s LYS 92 N 0.43 3.56 0.00 2.91 2.20 -1.26 -2.67 119.74 124.91 1x5d s LYS 92 Ca -0.08 2.34 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 1x5d s LYS 92 Cb -0.12 -2.55 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 1x5d s LYS 92 CO 0.01 -0.89 0.00 0.41 -0.36 0.00 0.00 175.35 174.53 1x5d n GLY 93 N 0.62 2.07 3.59 5.54 0.00 -1.26 -4.96 105.19 110.80 1x5d n GLY 93 Ca 0.06 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 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 2.02 0.55 1.61 0.41 -1.09 -5.13 118.70 117.07 1x5d s GLU 94 Ca 0.00 -1.70 -0.17 0.00 -0.41 0.00 0.00 54.97 52.69 1x5d s GLU 94 Cb 0.00 -1.93 -0.06 0.00 -1.78 0.00 0.00 34.13 30.37 1x5d s GLU 94 CO 0.00 0.23 1.05 -1.54 -0.49 0.00 0.00 175.26 174.50 1x5d s SER 95 N -3.65 6.03 0.84 -0.19 1.04 -1.26 -4.29 113.70 112.21 1x5d s SER 95 Ca 0.33 1.84 -0.11 0.00 0.48 0.00 0.00 55.95 58.48 1x5d s SER 95 Cb -0.02 -2.54 0.10 0.00 0.10 0.00 0.00 66.02 63.65 1x5d s SER 95 CO 0.18 -1.00 1.09 -2.16 0.98 0.00 0.00 173.24 172.34 1x5d s PRO 96 N -3.80 1.70 0.29 4.02 0.04 -1.26 -4.66 135.00 131.33 1x5d s PRO 96 Ca 0.64 0.97 0.02 0.00 0.04 0.00 0.00 61.00 62.68 1x5d s PRO 96 Cb -0.16 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 1x5d s PRO 96 CO 0.31 -1.98 0.07 1.33 0.04 0.00 0.00 177.00 176.77 1x5d n VAL 97 N -3.73 0.00 -3.93 -0.36 0.24 -0.03 -4.98 118.33 105.54 1x5d n VAL 97 Ca 0.08 -1.60 -0.35 0.00 -2.04 0.00 0.00 64.34 60.43 1x5d n VAL 97 Cb 0.54 0.50 -0.14 0.00 -1.47 0.00 0.00 33.84 33.27 1x5d n VAL 97 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1x5d s ASP 98 N -2.74 4.26 0.72 -1.34 -4.77 -1.26 -2.23 116.67 109.31 1x5d s ASP 98 Ca 0.10 -0.62 -0.17 0.00 -3.30 0.00 0.00 52.55 48.56 1x5d s ASP 98 Cb 0.00 -1.70 -0.07 0.00 -1.09 0.00 0.00 42.92 40.07 1x5d s ASP 98 CO 0.07 -0.07 0.29 0.00 0.70 0.00 0.00 175.17 176.15 1x5d n TYR 99 N 4.74 -1.59 0.05 2.11 9.36 -0.94 -4.91 117.16 125.98 1x5d n TYR 99 Ca -0.17 0.33 -0.04 0.00 3.32 0.00 0.00 57.90 61.33 1x5d n TYR 99 Cb 0.49 -1.83 -0.03 0.00 -0.63 0.00 0.00 39.34 37.35 1x5d n TYR 99 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 1x5d h ASP 100 N -0.39 -0.39 0.00 2.98 3.58 -1.99 -3.47 116.42 116.74 1x5d h ASP 100 Ca -0.45 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.04 1x5d h ASP 100 Cb 1.36 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.55 1x5d h ASP 100 CO 0.40 -0.15 0.00 0.61 -2.88 0.00 0.00 179.24 177.22 1x5d n GLY 101 N -1.13 0.00 3.55 -0.78 0.00 -1.26 -5.09 105.19 100.48 1x5d n GLY 101 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.26 -0.10 -0.02 0.00 -1.26 -4.80 107.32 100.87 1x5d s GLY 102 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 44.72 44.26 1x5d s GLY 102 CO 0.00 3.89 1.75 -0.96 0.00 0.00 0.00 173.10 177.78 1x5d n ARG 103 N 9.02 1.26 -4.89 2.90 1.85 -1.26 -3.20 116.66 122.34 1x5d n ARG 103 Ca 0.34 -0.54 -0.28 0.00 -1.00 0.00 0.00 57.85 56.37 1x5d n ARG 103 Cb 0.51 -1.21 -0.17 0.00 -1.05 0.00 0.00 32.46 30.55 1x5d n ARG 103 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1x5d s THR 104 N -0.74 1.56 0.37 8.89 -4.23 -1.26 -4.80 115.64 115.43 1x5d s THR 104 Ca 0.11 -0.75 0.27 0.00 -1.18 0.00 0.00 61.69 60.14 1x5d s THR 104 Cb 0.08 -1.36 0.42 0.00 1.34 0.00 0.00 72.50 72.98 1x5d s THR 104 CO 0.00 0.45 1.32 -2.11 -0.54 0.00 0.00 174.62 173.74 1x5d n ARG 105 N 3.50 -0.03 0.10 3.99 1.85 -1.10 0.13 116.66 125.10 1x5d n ARG 105 Ca -0.20 1.06 -0.13 0.00 -1.00 0.00 0.00 57.85 57.58 1x5d n ARG 105 Cb 0.52 -2.09 -0.08 0.00 -1.05 0.00 0.00 32.46 29.77 1x5d n ARG 105 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1x5d h SER 106 N 0.00 -0.16 0.09 2.89 4.64 -1.93 -1.36 113.55 117.72 1x5d h SER 106 Ca 0.74 -0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.95 1x5d h SER 106 Cb 2.38 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 64.51 1x5d h SER 106 CO -0.40 0.00 -0.04 0.44 -0.87 0.00 0.00 176.83 175.96 1x5d h ASP 107 N -0.32 -0.10 -0.74 4.97 5.19 0.87 -1.43 116.42 124.86 1x5d h ASP 107 Ca -0.02 -0.49 0.16 0.00 -0.62 0.00 0.00 57.03 56.06 1x5d h ASP 107 Cb 0.26 0.03 -0.13 0.00 0.18 0.00 0.00 39.33 39.66 1x5d h ASP 107 CO 0.03 0.52 -0.06 0.40 -3.12 0.00 0.00 179.24 177.01 1x5d h ILE 108 N -0.81 0.32 -0.14 0.35 2.04 -0.51 -0.16 117.51 118.60 1x5d h ILE 108 Ca -0.01 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 1x5d h ILE 108 Cb 0.59 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1x5d h ILE 108 CO 0.02 0.01 -0.21 0.58 0.00 0.00 0.00 178.15 178.55 1x5d h VAL 109 N 0.06 1.36 -0.89 1.67 2.07 -1.33 -2.64 116.25 116.56 1x5d h VAL 109 Ca 0.39 -1.44 0.25 0.00 0.82 0.00 0.00 66.70 66.71 1x5d h VAL 109 Cb 0.65 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 1x5d h VAL 109 CO -0.69 0.43 0.63 -1.28 0.02 0.00 0.00 177.57 176.67 1x5d h SER 110 N 0.01 0.08 0.03 0.57 0.87 -0.02 -1.91 113.55 113.18 1x5d h SER 110 Ca 0.01 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1x5d h SER 110 Cb 0.78 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1x5d h SER 110 CO 0.05 0.03 -0.01 -0.09 -0.53 0.00 0.00 176.83 176.27 1x5d h ARG 111 N 0.08 -0.04 -1.47 2.24 9.65 -0.99 -3.28 114.38 120.57 1x5d h ARG 111 Ca 0.43 0.00 0.47 0.00 -1.10 0.00 0.00 59.98 59.79 1x5d h ARG 111 Cb 1.59 0.01 -0.12 0.00 -1.39 0.00 0.00 29.97 30.06 1x5d h ARG 111 CO -0.04 0.43 0.98 0.00 2.80 0.00 0.00 179.97 184.13 1x5d h ALA 112 N -0.50 3.01 -0.37 2.80 0.00 -0.99 1.45 119.26 124.66 1x5d h ALA 112 Ca -0.00 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1x5d h ALA 112 Cb 0.49 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1x5d h ALA 112 CO 0.01 -1.63 -0.36 -0.07 0.00 0.00 0.00 179.25 177.20 1x5d h LEU 113 N 0.04 0.90 -1.96 0.00 3.38 -1.54 -1.29 115.31 114.84 1x5d h LEU 113 Ca 0.85 -0.39 0.19 0.00 0.09 0.00 0.00 57.88 58.62 1x5d h LEU 113 Cb 2.88 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 43.35 1x5d h LEU 113 CO -0.33 1.16 0.55 -0.78 0.09 0.00 0.00 178.44 179.13 1x5d h ASP 114 N 0.70 0.00 0.05 -0.43 1.82 0.20 0.12 116.42 118.87 1x5d h ASP 114 Ca 0.07 0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 56.33 1x5d h ASP 114 Cb 0.92 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.89 1x5d h ASP 114 CO 0.09 0.00 -2.24 0.18 -1.61 0.00 0.00 179.24 175.65 1x5d n LEU 115 N -4.03 2.70 -0.03 2.28 4.77 -1.09 -4.28 117.00 117.32 1x5d n LEU 115 Ca 0.13 0.06 0.14 0.00 -0.03 0.00 0.00 56.01 56.31 1x5d n LEU 115 Cb 0.80 -0.98 0.56 0.00 -2.33 0.00 0.00 43.42 41.47 1x5d n LEU 115 CO 0.34 0.84 1.18 0.15 -1.33 0.00 0.00 177.39 178.56 1x5d h PHE 116 N -0.12 0.29 0.00 -1.77 3.57 -0.27 0.32 116.94 118.95 1x5d h PHE 116 Ca -0.52 0.01 0.00 0.00 3.53 0.00 0.00 57.97 60.99 1x5d h PHE 116 Cb 1.89 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.53 1x5d h PHE 116 CO 0.04 0.14 0.00 0.43 -2.23 0.00 0.00 178.31 176.69 1x5d n SER 117 N -4.45 0.27 -0.13 0.41 7.64 -0.06 -1.48 113.62 115.82 1x5d n SER 117 Ca 0.09 0.57 -0.23 0.00 1.01 0.00 0.00 58.87 60.31 1x5d n SER 117 Cb 0.41 -0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 62.87 1x5d n SER 117 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x5d n ASP 118 N -1.81 1.98 0.00 6.43 2.03 0.11 -4.58 116.55 120.70 1x5d n ASP 118 Ca 0.02 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.41 1x5d n ASP 118 Cb 0.17 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 1x5d n ASP 118 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1x5d n ASN 119 N -3.68 0.00 -4.86 1.67 3.02 -0.82 -4.92 115.26 105.67 1x5d n ASN 119 Ca -0.48 0.38 -0.31 0.00 -0.03 0.00 0.00 54.58 54.14 1x5d n ASN 119 Cb 0.95 -0.34 0.04 0.00 -0.61 0.00 0.00 39.78 39.81 1x5d n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5d s ALA 120 N -3.26 2.88 -0.09 5.41 0.00 -0.55 -4.99 121.76 121.16 1x5d s ALA 120 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.52 1x5d s ALA 120 Cb 0.00 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1x5d s ALA 120 CO 0.00 -1.03 1.52 -1.25 0.00 0.00 0.00 175.76 175.01 1x5d s PRO 121 N -5.21 4.20 0.48 0.00 0.04 -1.26 -4.37 135.00 128.89 1x5d s PRO 121 Ca 0.57 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 63.41 1x5d s PRO 121 Cb -0.12 -3.90 -0.07 0.00 0.04 0.00 0.00 34.50 30.45 1x5d s PRO 121 CO 0.54 -0.79 1.15 -1.25 0.04 0.00 0.00 177.00 176.69 1x5d s PRO 122 N 3.82 3.66 -0.96 0.56 0.04 -1.26 -4.92 135.00 135.94 1x5d s PRO 122 Ca 0.67 1.73 -0.24 0.00 0.04 0.00 0.00 61.00 63.20 1x5d s PRO 122 Cb -0.30 -2.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 1x5d s PRO 122 CO 0.25 -0.62 1.95 -1.25 0.04 0.00 0.00 177.00 177.36 1x5d s PRO 123 N -2.85 2.54 0.16 0.56 0.04 -1.26 -4.94 135.00 129.25 1x5d s PRO 123 Ca 0.66 -0.47 -0.31 0.00 0.04 0.00 0.00 61.00 60.91 1x5d s PRO 123 Cb -0.27 -5.10 -0.11 0.00 0.04 0.00 0.00 34.50 29.06 1x5d s PRO 123 CO 0.33 -3.51 1.76 -2.00 0.04 0.00 0.00 177.00 173.62 1x5d s GLU 124 N 6.90 4.14 -0.23 4.56 2.12 -1.26 -4.98 118.70 129.95 1x5d s GLU 124 Ca 0.70 2.57 -0.17 0.00 0.36 0.00 0.00 54.97 58.43 1x5d s GLU 124 Cb -0.05 -3.36 0.06 0.00 0.26 0.00 0.00 34.13 31.04 1x5d s GLU 124 CO 0.02 -0.79 0.59 -0.51 -0.54 0.00 0.00 175.26 174.03 1x5d s LEU 125 N 2.03 -0.45 -0.39 2.70 1.43 -1.26 -5.13 118.68 117.61 1x5d s LEU 125 Ca 0.78 1.24 -0.02 0.00 -1.03 0.00 0.00 54.13 55.10 1x5d s LEU 125 Cb -0.47 2.02 0.10 0.00 0.03 0.00 0.00 46.19 47.88 1x5d s LEU 125 CO 0.34 -0.22 0.16 -0.22 0.23 0.00 0.00 176.35 176.65 1x5d s LEU 126 N 0.92 5.05 -0.22 1.79 0.20 -1.26 -5.06 118.68 120.11 1x5d s LEU 126 Ca -0.05 -1.97 -0.16 0.00 0.69 0.00 0.00 54.13 52.64 1x5d s LEU 126 Cb -0.05 -1.79 0.06 0.00 -0.43 0.00 0.00 46.19 43.98 1x5d s LEU 126 CO -0.08 -0.49 0.55 -1.61 -0.29 0.00 0.00 176.35 174.43 1x5d s GLU 127 N 1.12 0.60 -0.16 1.98 2.02 -1.26 -5.17 118.70 117.83 1x5d s GLU 127 Ca 0.07 0.90 -0.20 0.00 0.02 0.00 0.00 54.97 55.76 1x5d s GLU 127 Cb -0.22 0.18 0.05 0.00 0.10 0.00 0.00 34.13 34.24 1x5d s GLU 127 CO -0.04 -0.12 0.54 0.45 0.02 0.00 0.00 175.26 176.11 1x5d s SER 128 N 0.95 -0.54 0.28 -0.19 0.15 -1.26 -5.13 113.70 107.96 1x5d s SER 128 Ca -0.05 0.93 0.00 0.00 0.70 0.00 0.00 55.95 57.53 1x5d s SER 128 Cb -0.05 0.94 0.00 0.00 -1.71 0.00 0.00 66.02 65.20 1x5d s SER 128 CO -0.08 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1x5d n GLY 129 N 2.32 -3.40 3.77 9.45 0.00 -1.26 -4.92 105.19 111.15 1x5d n GLY 129 Ca -0.15 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.67 3.55 0.20 1.61 0.04 -1.26 -5.06 135.00 129.41 1x5d s PRO 130 Ca 0.00 1.69 0.03 0.00 0.04 0.00 0.00 61.00 62.76 1x5d s PRO 130 Cb 0.00 -2.20 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 1x5d s PRO 130 CO 0.00 -0.70 -0.02 -1.12 0.04 0.00 0.00 177.00 175.20 1x5d s SER 131 N -1.57 1.62 -0.28 6.66 0.01 -1.26 -5.16 113.70 113.72 1x5d s SER 131 Ca 0.68 -1.17 -0.19 0.00 1.31 0.00 0.00 55.95 56.58 1x5d s SER 131 Cb -0.26 0.04 0.10 0.00 0.21 0.00 0.00 66.02 66.11 1x5d s SER 131 CO 0.31 -0.50 0.79 -0.55 0.41 0.00 0.00 173.24 173.69 1x5d s SER 132 N -3.24 -0.77 0.00 2.44 0.15 -1.26 -5.28 113.70 105.74 1x5d s SER 132 Ca 0.25 1.29 0.27 0.00 0.70 0.00 0.00 55.95 58.47 1x5d s SER 132 Cb 0.05 1.32 0.90 0.00 -1.71 0.00 0.00 66.02 66.58 1x5d s SER 132 CO 0.06 -0.21 1.66 0.61 1.20 0.00 0.00 173.24 176.56