#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 1.57 -4.67 1.61 2.88 -1.26 -5.01 113.62 108.74 1x5d n SER 2 Ca 0.00 0.25 -0.35 0.00 -1.33 0.00 0.00 58.87 57.44 1x5d n SER 2 Cb 0.00 -0.56 -0.09 0.00 -0.75 0.00 0.00 64.21 62.80 1x5d n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5d s SER 3 N -5.94 5.59 0.00 -3.46 1.04 -1.26 -4.97 113.70 104.69 1x5d s SER 3 Ca -0.16 0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1x5d s SER 3 Cb 0.02 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1x5d s SER 3 CO 0.24 0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.33 1x5d n GLY 4 N 2.95 0.91 3.38 7.32 0.00 -1.26 -5.13 105.19 113.36 1x5d n GLY 4 Ca -0.18 -1.41 0.02 0.00 0.00 0.00 0.00 46.02 44.45 1x5d n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5d s SER 5 N -0.33 -0.47 0.33 1.61 0.15 -1.26 -5.03 113.70 108.70 1x5d s SER 5 Ca 0.00 0.65 0.08 0.00 0.70 0.00 0.00 55.95 57.38 1x5d s SER 5 Cb 0.00 1.52 0.94 0.00 -1.71 0.00 0.00 66.02 66.77 1x5d s SER 5 CO 0.00 -0.09 1.56 -1.20 1.20 0.00 0.00 173.24 174.71 1x5d n SER 6 N 4.79 0.03 0.00 5.45 7.64 -1.26 -4.91 113.62 125.36 1x5d n SER 6 Ca -0.09 1.68 0.00 0.00 1.01 0.00 0.00 58.87 61.46 1x5d n SER 6 Cb 0.53 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1x5d n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5d n GLY 7 N -1.42 0.36 0.37 0.23 0.00 -1.26 -4.82 105.19 98.65 1x5d n GLY 7 Ca 0.28 -1.38 0.24 0.00 0.00 0.00 0.00 46.02 45.16 1x5d n GLY 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x5d h ASP 8 N 0.00 0.49 -3.93 1.61 3.32 -1.91 -3.40 116.42 112.60 1x5d h ASP 8 Ca 0.00 0.15 -0.53 0.00 0.02 0.00 0.00 57.03 56.68 1x5d h ASP 8 Cb 0.00 0.09 0.08 0.00 0.22 0.00 0.00 39.33 39.73 1x5d h ASP 8 CO 0.00 -0.06 0.65 -0.69 -1.72 0.00 0.00 179.24 177.42 1x5d s VAL 9 N -5.60 2.53 -0.16 -1.35 1.01 -1.26 -4.78 120.40 110.79 1x5d s VAL 9 Ca -0.10 0.49 -0.06 0.00 0.00 0.00 0.00 61.98 62.32 1x5d s VAL 9 Cb 0.29 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1x5d s VAL 9 CO 0.80 0.09 0.04 -0.63 0.00 0.00 0.00 175.10 175.40 1x5d s ILE 10 N -1.21 4.63 -0.33 2.22 1.01 -0.83 -4.75 121.20 121.95 1x5d s ILE 10 Ca 0.55 -0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.88 1x5d s ILE 10 Cb -0.40 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.01 1x5d s ILE 10 CO 0.52 0.49 0.72 -0.70 0.00 0.00 0.00 174.94 175.97 1x5d s GLU 11 N 0.12 3.85 0.23 2.79 2.12 -1.26 -1.25 118.70 125.29 1x5d s GLU 11 Ca 0.04 0.35 0.09 0.00 0.36 0.00 0.00 54.97 55.81 1x5d s GLU 11 Cb -0.12 -3.76 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 1x5d s GLU 11 CO 0.01 -0.70 -0.03 -0.51 -0.54 0.00 0.00 175.26 173.49 1x5d s LEU 12 N 2.85 3.14 0.00 2.70 1.43 -1.20 -5.01 118.68 122.59 1x5d s LEU 12 Ca 0.29 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 1x5d s LEU 12 Cb -0.14 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.38 1x5d s LEU 12 CO 0.14 0.04 0.15 0.35 0.23 0.00 0.00 176.35 177.26 1x5d n THR 13 N -0.55 0.00 1.91 5.49 -2.24 -1.26 -4.78 114.28 112.85 1x5d n THR 13 Ca -0.08 -1.19 0.12 0.00 -2.27 0.00 0.00 64.05 60.64 1x5d n THR 13 Cb 0.58 -0.09 0.70 0.00 -2.10 0.00 0.00 70.33 69.41 1x5d n THR 13 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1x5d n ASP 14 N -1.68 0.23 0.00 3.42 5.68 -1.26 -2.28 116.55 120.66 1x5d n ASP 14 Ca -0.04 -1.28 -0.02 0.00 -0.50 0.00 0.00 54.79 52.95 1x5d n ASP 14 Cb 0.33 -0.01 -0.01 0.00 -1.14 0.00 0.00 41.12 40.30 1x5d n ASP 14 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1x5d n ASP 15 N -0.72 0.36 0.25 -1.12 8.00 -1.26 -4.71 116.55 117.34 1x5d n ASP 15 Ca 0.18 0.05 0.14 0.00 0.71 0.00 0.00 54.79 55.87 1x5d n ASP 15 Cb 0.12 -0.12 0.57 0.00 -0.02 0.00 0.00 41.12 41.67 1x5d n ASP 15 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1x5d h SER 16 N -0.07 0.00 -1.13 -2.24 4.64 -1.97 -3.15 113.55 109.63 1x5d h SER 16 Ca -0.04 0.00 0.35 0.00 -0.47 0.00 0.00 61.79 61.63 1x5d h SER 16 Cb 0.84 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.80 1x5d h SER 16 CO -0.02 0.11 0.70 0.15 -0.87 0.00 0.00 176.83 176.90 1x5d h PHE 17 N 0.00 0.71 0.17 4.77 3.04 -1.74 0.91 116.94 124.80 1x5d h PHE 17 Ca -0.00 0.03 -0.30 0.00 3.98 0.00 0.00 57.97 61.68 1x5d h PHE 17 Cb 0.62 -0.19 0.01 0.00 2.56 0.00 0.00 35.95 38.96 1x5d h PHE 17 CO 0.00 -0.13 -1.47 0.38 -2.02 0.00 0.00 178.31 175.07 1x5d h ASP 18 N 0.25 0.55 0.52 0.41 3.04 -1.84 -1.97 116.42 117.39 1x5d h ASP 18 Ca 0.73 -0.91 0.00 0.00 -3.24 0.00 0.00 57.03 53.61 1x5d h ASP 18 Cb 1.98 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 40.09 1x5d h ASP 18 CO -0.46 1.67 0.00 0.29 -2.04 0.00 0.00 179.24 178.70 1x5d n LYS 19 N -3.80 0.06 -0.06 4.15 5.02 0.46 -0.08 118.16 123.91 1x5d n LYS 19 Ca -0.22 0.32 -0.04 0.00 -2.02 0.00 0.00 58.31 56.35 1x5d n LYS 19 Cb 0.99 -1.61 -0.11 0.00 -0.02 0.00 0.00 35.03 34.27 1x5d n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1x5d n ASN 20 N -1.72 1.51 -0.03 4.39 3.02 0.29 -4.26 115.26 118.47 1x5d n ASN 20 Ca 0.03 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.55 1x5d n ASN 20 Cb 0.17 1.02 -0.01 0.00 -0.61 0.00 0.00 39.78 40.36 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 -2.42 0.58 -0.37 2.41 0.31 -0.74 -4.08 118.33 114.02 1x5d n VAL 21 Ca -0.19 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1x5d n VAL 21 Cb 0.84 -1.76 0.15 0.00 -0.91 0.00 0.00 33.84 32.16 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 -0.35 1.10 0.00 7.52 3.38 -0.66 0.97 115.31 127.26 1x5d h LEU 22 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x5d h LEU 22 Cb 0.35 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1x5d h LEU 22 CO 0.00 0.75 0.00 0.47 0.09 0.00 0.00 178.44 179.75 1x5d n ASP 23 N -4.44 0.00 -4.00 -0.43 9.92 0.19 -4.68 116.55 113.10 1x5d n ASP 23 Ca 0.14 -1.47 -0.26 0.00 -0.53 0.00 0.00 54.79 52.66 1x5d n ASP 23 Cb 0.10 0.00 -0.17 0.00 -0.64 0.00 0.00 41.12 40.41 1x5d n ASP 23 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1x5d s SER 24 N -1.52 2.07 -0.11 -2.24 0.15 0.33 -4.91 113.70 107.48 1x5d s SER 24 Ca 0.24 -0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.55 1x5d s SER 24 Cb 0.11 -0.90 0.08 0.00 -1.71 0.00 0.00 66.02 63.60 1x5d s SER 24 CO 0.19 -0.02 1.90 -0.62 1.20 0.00 0.00 173.24 175.89 1x5d n GLU 25 N 4.25 1.28 -4.34 5.44 1.02 -1.26 -4.77 120.64 122.26 1x5d n GLU 25 Ca -0.19 -0.55 -0.20 0.00 -0.02 0.00 0.00 57.16 56.20 1x5d n GLU 25 Cb 0.51 -1.22 -0.10 0.00 -0.02 0.00 0.00 31.44 30.61 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 1.26 2.60 -0.04 1.62 1.11 -1.26 -4.92 116.67 117.04 1x5d s ASP 26 Ca 0.11 -0.95 -0.30 0.00 0.18 0.00 0.00 52.55 51.59 1x5d s ASP 26 Cb 0.09 -0.14 -0.05 0.00 1.07 0.00 0.00 42.92 43.89 1x5d s ASP 26 CO 0.00 -0.12 1.37 -0.69 1.18 0.00 0.00 175.17 176.92 1x5d s VAL 27 N -2.58 3.87 -0.25 -1.27 1.01 -1.25 -4.71 120.40 115.22 1x5d s VAL 27 Ca 0.19 1.20 0.01 0.00 0.00 0.00 0.00 61.98 63.38 1x5d s VAL 27 Cb -0.03 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.62 1x5d s VAL 27 CO 0.07 -0.03 -0.09 0.26 0.00 0.00 0.00 175.10 175.30 1x5d s TRP 28 N 2.70 3.14 -0.57 5.22 0.52 -1.20 -1.15 118.94 127.60 1x5d s TRP 28 Ca 0.62 -1.96 -0.22 0.00 0.02 0.00 0.00 56.10 54.57 1x5d s TRP 28 Cb -0.29 -1.99 0.06 0.00 -1.15 0.00 0.00 33.47 30.10 1x5d s TRP 28 CO 0.24 -0.82 0.83 -1.64 0.02 0.00 0.00 176.95 175.59 1x5d s MET 29 N 1.21 3.18 -0.31 4.98 -1.94 -0.23 -3.01 119.30 123.18 1x5d s MET 29 Ca -0.04 -0.70 -0.18 0.00 -1.71 0.00 0.00 55.69 53.06 1x5d s MET 29 Cb -0.18 -4.13 -0.02 0.00 2.01 0.00 0.00 34.83 32.51 1x5d s MET 29 CO -0.05 -1.50 0.51 0.08 -0.01 0.00 0.00 175.02 174.04 1x5d s VAL 30 N 3.48 5.04 -0.30 -6.03 1.01 -0.80 -0.63 120.40 122.17 1x5d s VAL 30 Ca 0.22 0.59 0.02 0.00 0.00 0.00 0.00 61.98 62.80 1x5d s VAL 30 Cb -0.17 -3.89 0.07 0.00 0.00 0.00 0.00 36.38 32.39 1x5d s VAL 30 CO 0.13 -0.07 -0.02 -0.70 0.00 0.00 0.00 175.10 174.44 1x5d s GLU 31 N 2.36 2.09 -0.13 2.72 2.12 -0.98 -1.09 118.70 125.78 1x5d s GLU 31 Ca 0.20 -1.50 -0.29 0.00 0.36 0.00 0.00 54.97 53.74 1x5d s GLU 31 Cb -0.15 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.12 1x5d s GLU 31 CO 0.11 -0.71 1.13 -0.06 -0.54 0.00 0.00 175.26 175.19 1x5d s PHE 32 N 1.09 3.22 0.24 5.30 0.40 0.03 -2.80 117.98 125.46 1x5d s PHE 32 Ca -0.02 1.31 0.06 0.00 -0.60 0.00 0.00 56.93 57.68 1x5d s PHE 32 Cb -0.20 -3.35 -0.05 0.00 0.51 0.00 0.00 43.02 39.93 1x5d s PHE 32 CO -0.05 -0.96 -0.07 1.52 0.70 0.00 0.00 175.22 176.36 1x5d s TYR 33 N 2.71 1.76 -0.09 0.36 -0.85 -0.91 -1.59 117.35 118.74 1x5d s TYR 33 Ca 0.51 -0.71 0.03 0.00 -0.52 0.00 0.00 57.07 56.38 1x5d s TYR 33 Cb -0.20 -0.96 0.01 0.00 0.38 0.00 0.00 41.96 41.19 1x5d s TYR 33 CO 0.16 0.22 -0.20 0.00 -1.52 0.00 0.00 175.55 174.21 1x5d s ALA 34 N -3.10 1.84 -1.57 9.51 0.00 -1.26 -3.61 121.76 123.56 1x5d s ALA 34 Ca 0.27 -0.77 0.15 0.00 0.00 0.00 0.00 51.96 51.60 1x5d s ALA 34 Cb 0.03 -0.73 0.79 0.00 0.00 0.00 0.00 23.12 23.21 1x5d s ALA 34 CO 0.09 0.21 1.39 -0.35 0.00 0.00 0.00 175.76 177.10 1x5d n PRO 35 N 3.66 0.28 -0.62 0.00 -0.04 -1.26 -2.27 135.00 134.75 1x5d n PRO 35 Ca -0.20 0.11 0.06 0.00 -0.04 0.00 0.00 63.50 63.43 1x5d n PRO 35 Cb 0.52 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.21 0.00 -3.96 0.54 4.27 -1.26 -4.99 117.44 110.82 1x5d n TRP 36 Ca 0.08 -1.09 -0.30 0.00 -3.89 0.00 0.00 57.50 52.30 1x5d n TRP 36 Cb 0.10 -0.19 -0.16 0.00 -1.36 0.00 0.00 31.31 29.70 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 8.01 -0.40 -1.43 0.00 0.00 -1.94 0.01 103.07 107.32 1x5d h GLY 38 Ca -0.26 0.16 0.42 0.00 0.00 0.00 0.00 47.33 47.64 1x5d h GLY 38 CO 0.45 -0.14 1.19 1.57 0.00 0.00 0.00 176.54 179.61 1x5d n HIS 39 N -2.88 0.00 0.04 5.60 -0.00 -1.26 0.24 115.22 116.96 1x5d n HIS 39 Ca -0.04 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.46 1x5d n HIS 39 Cb 0.12 -0.36 -0.14 0.00 -0.00 0.00 0.00 29.99 29.61 1x5d n HIS 39 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1x5d h LYS 41 N -0.13 0.43 0.00 0.00 2.10 0.50 0.63 116.57 120.10 1x5d h LYS 41 Ca -0.30 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.31 1x5d h LYS 41 Cb 1.90 -0.10 -0.00 0.00 -0.90 0.00 0.00 32.23 33.13 1x5d h LYS 41 CO 0.13 0.29 -0.07 -0.91 -2.00 0.00 0.00 179.45 176.88 1x5d h ASN 42 N 0.45 0.00 0.55 7.07 2.35 -1.55 -2.62 115.58 121.82 1x5d h ASN 42 Ca 0.48 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.95 1x5d h ASN 42 Cb 1.13 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.46 1x5d h ASN 42 CO -0.19 0.07 -1.60 0.25 -1.65 0.00 0.00 177.43 174.30 1x5d h LEU 43 N 0.00 0.05 -0.74 1.61 5.85 0.08 -3.36 115.31 118.81 1x5d h LEU 43 Ca -0.00 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.72 1x5d h LEU 43 Cb 0.41 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.33 1x5d h LEU 43 CO 0.01 1.08 -0.39 1.21 -0.34 0.00 0.00 178.44 180.01 1x5d n GLU 44 N -3.14 -0.27 -0.00 1.25 4.07 -0.66 0.78 120.64 122.66 1x5d n GLU 44 Ca -0.15 1.12 -0.08 0.00 -0.06 0.00 0.00 57.16 57.99 1x5d n GLU 44 Cb 1.03 -1.65 0.10 0.00 -0.06 0.00 0.00 31.44 30.86 1x5d n GLU 44 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1x5d h PRO 45 N 0.00 0.56 -0.18 5.31 0.13 -1.75 -2.20 132.00 133.88 1x5d h PRO 45 Ca 0.16 -0.30 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 1x5d h PRO 45 Cb 0.35 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 1x5d h PRO 45 CO -0.70 0.88 -0.00 0.93 -0.23 0.00 0.00 178.00 178.88 1x5d h GLU 46 N 0.46 0.25 0.16 0.86 4.39 0.23 -2.51 114.58 118.42 1x5d h GLU 46 Ca 0.03 -0.04 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 1x5d h GLU 46 Cb 0.93 -0.05 0.02 0.00 -0.10 0.00 0.00 28.75 29.56 1x5d h GLU 46 CO 0.08 0.28 -1.11 2.35 -1.16 0.00 0.00 179.01 179.45 1x5d h TRP 47 N 0.25 0.62 0.04 4.33 2.91 -0.12 -2.49 115.95 121.49 1x5d h TRP 47 Ca 0.06 -0.45 0.02 0.00 1.13 0.00 0.00 58.89 59.65 1x5d h TRP 47 Cb 0.18 -0.02 -0.05 0.00 -0.51 0.00 0.00 29.16 28.75 1x5d h TRP 47 CO 0.00 1.43 -0.46 0.00 -1.03 0.00 0.00 178.44 178.39 1x5d h ALA 48 N 0.07 -0.78 -0.08 2.65 0.00 -1.16 -1.84 119.26 118.12 1x5d h ALA 48 Ca -0.21 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.67 1x5d h ALA 48 Cb 1.79 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 20.33 1x5d h ALA 48 CO 0.16 -1.01 -0.23 0.00 0.00 0.00 0.00 179.25 178.16 1x5d h ALA 49 N -0.20 -0.25 -0.72 0.00 0.00 -1.62 -2.61 119.26 113.87 1x5d h ALA 49 Ca 0.03 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1x5d h ALA 49 Cb 0.69 0.44 -0.12 0.00 0.00 0.00 0.00 17.79 18.79 1x5d h ALA 49 CO -0.31 -0.71 -0.39 0.00 0.00 0.00 0.00 179.25 177.84 1x5d h ALA 50 N 0.59 -0.10 -0.95 0.00 0.00 -1.46 0.36 119.26 117.70 1x5d h ALA 50 Ca 0.08 0.18 0.28 0.00 0.00 0.00 0.00 54.91 55.45 1x5d h ALA 50 Cb 0.45 0.93 -0.15 0.00 0.00 0.00 0.00 17.79 19.03 1x5d h ALA 50 CO -0.26 -0.72 0.41 0.00 0.00 0.00 0.00 179.25 178.67 1x5d h ALA 51 N 0.96 1.63 -0.22 0.00 0.00 -0.95 1.40 119.26 122.08 1x5d h ALA 51 Ca 0.24 0.20 -0.21 0.00 0.00 0.00 0.00 54.91 55.15 1x5d h ALA 51 Cb 0.56 0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1x5d h ALA 51 CO -0.78 -0.51 -0.67 1.03 0.00 0.00 0.00 179.25 178.32 1x5d h SER 52 N 0.28 0.96 1.27 0.00 0.87 -0.29 -0.29 113.55 116.35 1x5d h SER 52 Ca 0.65 -0.57 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1x5d h SER 52 Cb 1.39 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1x5d h SER 52 CO -0.63 1.37 0.00 1.21 -0.53 0.00 0.00 176.83 178.26 1x5d n GLU 53 N -3.97 0.24 -0.05 2.24 2.13 0.11 -2.27 120.64 119.07 1x5d n GLU 53 Ca -0.06 0.26 -0.22 0.00 0.66 0.00 0.00 57.16 57.80 1x5d n GLU 53 Cb 0.69 -1.81 -0.13 0.00 0.27 0.00 0.00 31.44 30.46 1x5d n GLU 53 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1x5d n VAL 54 N -2.23 1.68 0.12 6.31 0.31 0.44 -3.61 118.33 121.35 1x5d n VAL 54 Ca 0.05 -0.50 -0.02 0.00 -0.01 0.00 0.00 64.34 63.86 1x5d n VAL 54 Cb 0.38 -1.76 0.22 0.00 -0.91 0.00 0.00 33.84 31.77 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 -0.22 0.15 -0.19 5.55 2.10 -1.10 0.26 116.57 123.12 1x5d h LYS 55 Ca -0.45 -0.08 -0.15 0.00 -2.00 0.00 0.00 60.65 57.97 1x5d h LYS 55 Cb 1.85 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.17 1x5d h LYS 55 CO -0.03 0.60 -0.52 1.05 -2.00 0.00 0.00 179.45 178.55 1x5d h GLU 56 N 0.12 0.55 0.12 0.07 4.11 -1.63 1.24 114.58 119.16 1x5d h GLU 56 Ca 0.01 -0.33 -0.24 0.00 0.07 0.00 0.00 59.36 58.86 1x5d h GLU 56 Cb 0.89 0.03 0.01 0.00 0.50 0.00 0.00 28.75 30.18 1x5d h GLU 56 CO 0.07 0.94 -1.19 1.96 0.07 0.00 0.00 179.01 180.85 1x5d h GLN 57 N 0.43 0.26 -0.30 1.06 4.20 -1.58 -3.30 115.11 115.88 1x5d h GLN 57 Ca 0.01 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1x5d h GLN 57 Cb 1.06 0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1x5d h GLN 57 CO 0.10 1.22 0.00 0.25 -0.67 0.00 0.00 178.83 179.72 1x5d n THR 58 N -4.00 0.03 -2.05 -0.54 -2.24 0.89 -4.83 114.28 101.53 1x5d n THR 58 Ca -0.21 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 1x5d n THR 58 Cb 0.87 -0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.32 -1.79 0.00 -0.78 4.76 -0.70 0.37 118.16 119.70 1x5d n LYS 59 Ca 0.00 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1x5d n LYS 59 Cb 0.09 -5.27 0.00 0.00 -1.84 0.00 0.00 35.03 28.01 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 -0.64 2.25 0.23 0.72 0.00 0.42 -4.95 105.19 103.22 1x5d n GLY 60 Ca -0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 2.73 -0.27 -6.50 1.61 1.63 -0.34 -3.36 116.57 112.08 1x5d h LYS 61 Ca 0.00 0.02 -0.57 0.00 -0.85 0.00 0.00 60.65 59.25 1x5d h LYS 61 Cb 0.00 0.06 -0.07 0.00 -0.60 0.00 0.00 32.23 31.62 1x5d h LYS 61 CO 0.00 -0.18 0.85 0.08 -3.45 0.00 0.00 179.45 176.75 1x5d s VAL 62 N -4.31 4.35 -0.01 2.00 1.01 -1.26 -3.89 120.40 118.28 1x5d s VAL 62 Ca -0.07 1.32 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 1x5d s VAL 62 Cb 0.03 -4.51 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1x5d s VAL 62 CO 0.30 -0.81 0.10 -0.54 0.00 0.00 0.00 175.10 174.15 1x5d s LYS 63 N 4.09 3.15 -0.20 2.72 1.02 -0.30 -4.08 119.74 126.14 1x5d s LYS 63 Ca 0.45 -0.43 -0.04 0.00 0.02 0.00 0.00 55.97 55.98 1x5d s LYS 63 Cb -0.09 -2.92 -0.01 0.00 -0.52 0.00 0.00 37.83 34.29 1x5d s LYS 63 CO 0.26 0.66 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.79 1x5d s LEU 64 N -1.70 2.98 0.30 3.17 1.02 -1.26 -1.06 118.68 122.12 1x5d s LEU 64 Ca 0.23 -0.32 0.09 0.00 0.02 0.00 0.00 54.13 54.15 1x5d s LEU 64 Cb -0.12 -1.74 -0.06 0.00 0.02 0.00 0.00 46.19 44.29 1x5d s LEU 64 CO 0.14 0.04 -0.11 0.00 0.02 0.00 0.00 176.35 176.43 1x5d s ALA 65 N 1.14 2.64 0.11 4.21 0.00 0.20 -1.96 121.76 128.09 1x5d s ALA 65 Ca 0.02 -1.95 0.06 0.00 0.00 0.00 0.00 51.96 50.09 1x5d s ALA 65 Cb -0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 1x5d s ALA 65 CO -0.00 0.07 -0.15 0.00 0.00 0.00 0.00 175.76 175.68 1x5d s ALA 66 N -2.75 1.46 0.00 0.00 0.00 -0.38 -2.31 121.76 117.78 1x5d s ALA 66 Ca 0.30 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1x5d s ALA 66 Cb 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 1x5d s ALA 66 CO 0.14 0.16 -0.00 0.08 0.00 0.00 0.00 175.76 176.13 1x5d s VAL 67 N -1.77 0.02 -0.75 0.00 1.01 -1.12 -3.26 120.40 114.52 1x5d s VAL 67 Ca 0.06 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 1x5d s VAL 67 Cb -0.07 -0.05 0.14 0.00 0.00 0.00 0.00 36.38 36.40 1x5d s VAL 67 CO 0.03 -0.07 0.87 -1.81 0.00 0.00 0.00 175.10 174.11 1x5d s ASP 68 N -0.22 6.45 0.51 3.32 1.11 -1.26 -2.15 116.67 124.43 1x5d s ASP 68 Ca -0.02 -1.87 0.18 0.00 0.18 0.00 0.00 52.55 51.01 1x5d s ASP 68 Cb -0.01 -2.32 0.97 0.00 1.07 0.00 0.00 42.92 42.62 1x5d s ASP 68 CO -0.00 -1.00 1.49 0.00 1.18 0.00 0.00 175.17 176.83 1x5d h ALA 69 N 8.80 1.37 -0.15 5.23 0.00 -1.79 0.47 119.26 133.18 1x5d h ALA 69 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1x5d h ALA 69 Cb 1.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1x5d h ALA 69 CO 1.03 -0.37 -0.34 1.79 0.00 0.00 0.00 179.25 181.36 1x5d h THR 70 N 0.00 1.28 0.00 0.00 1.35 -1.90 -3.33 112.91 110.32 1x5d h THR 70 Ca 0.00 -1.38 -0.20 0.00 -0.55 0.00 0.00 66.41 64.28 1x5d h THR 70 Cb 0.85 1.55 -0.04 0.00 -1.73 0.00 0.00 68.15 68.78 1x5d h THR 70 CO 0.00 0.42 -1.76 0.55 -0.25 0.00 0.00 175.52 174.48 1x5d n VAL 71 N -4.08 0.76 -2.62 6.82 3.14 0.13 -4.92 118.33 117.57 1x5d n VAL 71 Ca -0.01 -0.39 -0.43 0.00 -2.96 0.00 0.00 64.34 60.55 1x5d n VAL 71 Cb 0.44 -0.84 -0.02 0.00 -1.06 0.00 0.00 33.84 32.36 1x5d n VAL 71 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1x5d s ASN 72 N -4.78 6.56 -0.11 6.55 0.01 0.54 -4.81 114.94 118.89 1x5d s ASN 72 Ca -0.11 0.31 0.01 0.00 -0.71 0.00 0.00 52.86 52.36 1x5d s ASN 72 Cb 0.04 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 39.09 1x5d s ASN 72 CO 0.39 -1.30 -0.10 0.00 -1.51 0.00 0.00 177.10 174.58 1x5d n GLN 73 N 7.94 0.32 -0.34 -0.60 1.13 -1.26 -3.87 117.38 120.71 1x5d n GLN 73 Ca 0.10 0.06 0.16 0.00 -1.94 0.00 0.00 57.00 55.39 1x5d n GLN 73 Cb 0.49 -1.22 0.39 0.00 0.11 0.00 0.00 30.24 30.01 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 0.63 0.00 5.09 2.07 -1.90 0.36 116.25 122.50 1x5d h VAL 74 Ca -0.25 -0.21 -0.13 0.00 0.82 0.00 0.00 66.70 66.93 1x5d h VAL 74 Cb 1.38 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1x5d h VAL 74 CO -0.04 0.11 -0.89 -0.07 0.02 0.00 0.00 177.57 176.71 1x5d h LEU 75 N 0.62 0.00 -0.93 2.57 3.38 -1.87 -3.08 115.31 116.00 1x5d h LEU 75 Ca 0.59 -0.33 0.27 0.00 0.09 0.00 0.00 57.88 58.51 1x5d h LEU 75 Cb 1.11 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.70 1x5d h LEU 75 CO -0.37 1.17 0.23 0.00 0.09 0.00 0.00 178.44 179.56 1x5d h ALA 76 N -0.67 1.40 -0.07 1.53 0.00 -1.62 0.20 119.26 120.02 1x5d h ALA 76 Ca -0.20 0.26 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1x5d h ALA 76 Cb 0.95 0.40 0.01 0.00 0.00 0.00 0.00 17.79 19.15 1x5d h ALA 76 CO -0.12 -0.57 -0.58 1.03 0.00 0.00 0.00 179.25 179.01 1x5d h SER 77 N 0.12 0.63 -0.92 0.00 0.87 -1.11 1.02 113.55 114.16 1x5d h SER 77 Ca 0.62 -0.68 0.20 0.00 -1.23 0.00 0.00 61.79 60.70 1x5d h SER 77 Cb 1.33 -0.19 -0.17 0.00 -0.44 0.00 0.00 62.40 62.93 1x5d h SER 77 CO -0.75 1.21 -0.16 -0.09 -0.53 0.00 0.00 176.83 176.51 1x5d h ARG 78 N 0.10 0.01 0.00 2.24 2.43 -0.51 -1.25 114.38 117.39 1x5d h ARG 78 Ca -0.05 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 1x5d h ARG 78 Cb 1.24 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1x5d h ARG 78 CO 0.12 0.01 -2.00 0.66 -1.51 0.00 0.00 179.97 177.24 1x5d n TYR 79 N -5.55 0.00 -1.20 2.20 4.01 -0.95 -5.05 117.16 110.63 1x5d n TYR 79 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.90 1x5d n TYR 79 Cb 0.52 -0.56 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1x5d n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x5d n GLY 80 N 1.46 -0.17 3.34 2.72 0.00 0.30 -5.02 105.19 107.81 1x5d n GLY 80 Ca -0.09 -0.28 -0.45 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.21 5.05 -0.23 -0.61 -1.09 0.16 -4.86 121.20 117.42 1x5d s ILE 81 Ca 0.00 -1.34 0.12 0.00 -2.23 0.00 0.00 60.65 57.20 1x5d s ILE 81 Cb 0.00 -4.42 0.45 0.00 -1.58 0.00 0.00 42.46 36.90 1x5d s ILE 81 CO 0.00 -1.01 1.19 0.54 -1.23 0.00 0.00 174.94 174.44 1x5d n ARG 82 N 5.68 2.28 -2.97 2.79 1.74 -1.26 -4.91 116.66 120.01 1x5d n ARG 82 Ca -0.10 -3.56 0.01 0.00 -0.77 0.00 0.00 57.85 53.43 1x5d n ARG 82 Cb 0.42 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 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 -3.32 -1.42 0.29 -0.13 0.00 -1.26 -5.16 107.32 96.31 1x5d s GLY 83 Ca 0.42 0.63 -0.05 0.00 0.00 0.00 0.00 44.72 45.72 1x5d s GLY 83 CO -0.03 3.96 0.56 -1.36 0.00 0.00 0.00 173.10 176.23 1x5d s PHE 84 N 1.78 3.47 0.78 1.90 0.08 -1.26 -4.12 117.98 120.61 1x5d s PHE 84 Ca 0.17 0.67 -0.11 0.00 0.12 0.00 0.00 56.93 57.78 1x5d s PHE 84 Cb 0.00 -2.13 0.06 0.00 -0.57 0.00 0.00 43.02 40.38 1x5d s PHE 84 CO -0.10 0.17 1.09 -1.25 -0.10 0.00 0.00 175.22 175.03 1x5d s PRO 85 N -3.50 2.22 -0.22 0.24 0.04 -1.26 -4.81 135.00 127.72 1x5d s PRO 85 Ca 0.44 1.16 -0.05 0.00 0.04 0.00 0.00 61.00 62.60 1x5d s PRO 85 Cb -0.11 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.62 1x5d s PRO 85 CO 0.29 -1.66 0.10 0.99 0.04 0.00 0.00 177.00 176.76 1x5d s THR 86 N -2.90 -0.06 -0.32 1.26 2.01 -0.62 -4.97 115.64 110.03 1x5d s THR 86 Ca 0.61 -0.42 -0.14 0.00 0.31 0.00 0.00 61.69 62.06 1x5d s THR 86 Cb -0.17 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 1x5d s THR 86 CO 0.56 -0.46 0.30 -0.63 -0.69 0.00 0.00 174.62 173.70 1x5d s ILE 87 N 2.11 5.23 -0.07 1.82 1.01 -1.26 -0.79 121.20 129.25 1x5d s ILE 87 Ca 0.05 0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1x5d s ILE 87 Cb -0.16 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.60 1x5d s ILE 87 CO -0.20 0.02 -0.14 -0.54 0.00 0.00 0.00 174.94 174.08 1x5d s LYS 88 N 1.89 1.93 -0.06 2.79 -0.14 -0.25 -1.45 119.74 124.45 1x5d s LYS 88 Ca 0.10 -0.49 -0.12 0.00 -1.36 0.00 0.00 55.97 54.10 1x5d s LYS 88 Cb -0.17 -1.57 -0.05 0.00 -1.68 0.00 0.00 37.83 34.37 1x5d s LYS 88 CO 0.11 0.04 0.30 0.42 -0.76 0.00 0.00 175.35 175.46 1x5d s ILE 89 N 0.64 5.23 -0.11 2.17 1.09 -0.35 -1.90 121.20 127.97 1x5d s ILE 89 Ca -0.15 0.58 0.02 0.00 -1.10 0.00 0.00 60.65 60.00 1x5d s ILE 89 Cb -0.16 -3.59 0.01 0.00 -1.06 0.00 0.00 42.46 37.66 1x5d s ILE 89 CO 0.04 0.58 -0.15 -0.36 -0.10 0.00 0.00 174.94 174.95 1x5d s PHE 90 N -0.95 1.96 -0.01 3.97 0.40 -1.17 -1.40 117.98 120.79 1x5d s PHE 90 Ca 0.20 -0.92 0.06 0.00 -0.60 0.00 0.00 56.93 55.67 1x5d s PHE 90 Cb -0.15 -1.42 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 1x5d s PHE 90 CO 0.09 -0.47 -0.18 -0.65 0.70 0.00 0.00 175.22 174.71 1x5d s GLN 91 N 0.98 2.27 -0.08 0.44 -0.21 -1.26 -3.20 119.66 118.60 1x5d s GLN 91 Ca -0.07 -0.84 -0.29 0.00 0.02 0.00 0.00 55.36 54.18 1x5d s GLN 91 Cb -0.15 -2.24 -0.06 0.00 1.00 0.00 0.00 33.01 31.57 1x5d s GLN 91 CO -0.01 0.58 1.76 0.21 -2.12 0.00 0.00 175.29 175.70 1x5d s LYS 92 N -0.93 4.00 0.00 2.91 2.47 -1.26 -2.97 119.74 123.96 1x5d s LYS 92 Ca 0.12 2.15 0.00 0.00 -1.56 0.00 0.00 55.97 56.68 1x5d s LYS 92 Cb -0.10 -4.06 0.00 0.00 -1.46 0.00 0.00 37.83 32.20 1x5d s LYS 92 CO 0.02 -1.07 0.00 0.41 0.16 0.00 0.00 175.35 174.87 1x5d n GLY 93 N 4.46 2.50 3.89 5.54 0.00 -1.26 -5.00 105.19 115.32 1x5d n GLY 93 Ca 0.19 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 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 3.41 0.54 1.61 8.01 -1.16 -5.05 118.70 126.06 1x5d s GLU 94 Ca 0.00 0.50 -0.17 0.00 0.01 0.00 0.00 54.97 55.30 1x5d s GLU 94 Cb 0.00 -2.16 -0.06 0.00 -4.31 0.00 0.00 34.13 27.59 1x5d s GLU 94 CO 0.00 -0.56 1.03 -1.54 0.01 0.00 0.00 175.26 174.20 1x5d s SER 95 N -4.20 6.19 0.46 -0.19 1.04 -1.26 -4.28 113.70 111.46 1x5d s SER 95 Ca 0.53 1.78 -0.23 0.00 0.48 0.00 0.00 55.95 58.51 1x5d s SER 95 Cb -0.11 -2.53 -0.07 0.00 0.10 0.00 0.00 66.02 63.40 1x5d s SER 95 CO 0.51 -0.88 1.16 -2.16 0.98 0.00 0.00 173.24 172.85 1x5d s PRO 96 N -3.81 3.77 0.04 4.02 0.04 -1.26 -4.59 135.00 133.21 1x5d s PRO 96 Ca 0.63 1.78 0.08 0.00 0.04 0.00 0.00 61.00 63.53 1x5d s PRO 96 Cb -0.14 -2.41 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 1x5d s PRO 96 CO 0.30 -0.55 -0.22 0.14 0.04 0.00 0.00 177.00 176.72 1x5d s VAL 97 N -1.54 2.51 -0.42 -0.36 -7.23 -0.49 -4.98 120.40 107.88 1x5d s VAL 97 Ca 0.63 -1.25 -0.21 0.00 -1.81 0.00 0.00 61.98 59.34 1x5d s VAL 97 Cb -0.29 -2.02 0.02 0.00 0.56 0.00 0.00 36.38 34.66 1x5d s VAL 97 CO 0.35 0.37 0.66 -0.62 -0.31 0.00 0.00 175.10 175.54 1x5d s ASP 98 N -1.30 6.35 0.46 4.85 2.15 -1.26 -1.22 116.67 126.71 1x5d s ASP 98 Ca 0.13 -0.22 -0.25 0.00 0.43 0.00 0.00 52.55 52.64 1x5d s ASP 98 Cb -0.10 -2.33 -0.08 0.00 -0.30 0.00 0.00 42.92 40.11 1x5d s ASP 98 CO 0.03 -0.76 1.39 -0.47 -0.17 0.00 0.00 175.17 175.19 1x5d s TYR 99 N 2.86 2.49 0.00 -5.34 5.04 -0.53 -4.92 117.35 116.95 1x5d s TYR 99 Ca 0.24 1.32 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 1x5d s TYR 99 Cb -0.14 -3.84 0.00 0.00 0.35 0.00 0.00 41.96 38.33 1x5d s TYR 99 CO 0.19 -2.75 0.00 -0.25 -1.34 0.00 0.00 175.55 171.39 1x5d n ASP 100 N -0.32 1.81 -3.99 4.32 8.00 -1.26 -4.76 116.55 120.34 1x5d n ASP 100 Ca 0.06 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.27 1x5d n ASP 100 Cb 0.43 0.14 0.10 0.00 -0.02 0.00 0.00 41.12 41.77 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 1.67 -2.53 3.48 0.44 0.00 -1.26 -4.77 105.19 102.23 1x5d n GLY 101 Ca 0.00 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 45.13 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 2.76 -1.16 1.73 -0.02 0.00 -1.26 -4.83 105.19 102.41 1x5d n GLY 102 Ca 0.00 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 1x5d n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5d n ARG 103 N 0.72 1.71 -4.28 1.61 1.74 -1.26 -3.78 116.66 113.12 1x5d n ARG 103 Ca 0.12 -1.57 -0.30 0.00 -0.77 0.00 0.00 57.85 55.34 1x5d n ARG 103 Cb 0.34 -1.62 -0.11 0.00 -1.02 0.00 0.00 32.46 30.06 1x5d n ARG 103 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1x5d s THR 104 N -1.94 3.11 0.39 0.55 2.01 -1.26 -4.78 115.64 113.72 1x5d s THR 104 Ca 0.30 -1.38 0.20 0.00 0.31 0.00 0.00 61.69 61.13 1x5d s THR 104 Cb 0.25 -2.44 0.40 0.00 0.01 0.00 0.00 72.50 70.72 1x5d s THR 104 CO 0.03 0.11 1.70 0.08 -0.69 0.00 0.00 174.62 175.85 1x5d h ARG 105 N 3.70 0.28 0.27 4.92 0.11 -1.79 0.41 114.38 122.29 1x5d h ARG 105 Ca -0.49 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 59.57 1x5d h ARG 105 Cb 1.17 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 1x5d h ARG 105 CO 0.49 0.19 -0.22 0.77 0.10 0.00 0.00 179.97 181.30 1x5d h SER 106 N 0.29 -0.57 0.15 0.08 0.02 -1.94 -1.36 113.55 110.22 1x5d h SER 106 Ca 0.70 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.69 1x5d h SER 106 Cb 1.86 0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.58 1x5d h SER 106 CO -0.42 -0.33 -0.07 0.44 -1.14 0.00 0.00 176.83 175.31 1x5d h ASP 107 N -0.50 -0.17 -0.93 3.07 3.32 -1.14 -2.85 116.42 117.23 1x5d h ASP 107 Ca -0.02 -0.38 0.23 0.00 0.02 0.00 0.00 57.03 56.88 1x5d h ASP 107 Cb 0.44 0.04 -0.17 0.00 0.22 0.00 0.00 39.33 39.86 1x5d h ASP 107 CO -0.02 0.38 -0.04 0.40 -1.72 0.00 0.00 179.24 178.24 1x5d h ILE 108 N -0.81 0.10 -0.06 0.35 2.04 -0.33 0.19 117.51 118.99 1x5d h ILE 108 Ca -0.02 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1x5d h ILE 108 Cb 0.54 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1x5d h ILE 108 CO 0.03 0.01 0.02 0.58 0.00 0.00 0.00 178.15 178.79 1x5d h VAL 109 N 0.03 1.17 -0.90 1.67 2.07 -1.31 -2.88 116.25 116.11 1x5d h VAL 109 Ca 0.52 -0.51 0.21 0.00 0.82 0.00 0.00 66.70 67.74 1x5d h VAL 109 Cb 0.98 1.40 -0.17 0.00 -1.52 0.00 0.00 31.29 31.99 1x5d h VAL 109 CO -0.88 0.14 -0.06 -1.28 0.02 0.00 0.00 177.57 175.51 1x5d h SER 110 N -0.09 -0.57 0.57 0.57 0.87 -0.39 -1.51 113.55 113.01 1x5d h SER 110 Ca 0.02 0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.81 1x5d h SER 110 Cb 0.21 0.47 0.01 0.00 -0.44 0.00 0.00 62.40 62.65 1x5d h SER 110 CO -0.00 -0.29 -0.28 -0.09 -0.53 0.00 0.00 176.83 175.65 1x5d h ARG 111 N 0.03 -0.74 -0.96 2.24 9.65 -1.33 -2.84 114.38 120.44 1x5d h ARG 111 Ca 0.49 0.05 0.37 0.00 -1.10 0.00 0.00 59.98 59.79 1x5d h ARG 111 Cb 0.90 0.17 -0.13 0.00 -1.39 0.00 0.00 29.97 29.51 1x5d h ARG 111 CO -0.86 -0.50 0.57 0.00 2.80 0.00 0.00 179.97 181.98 1x5d n ALA 112 N -2.44 0.97 0.27 2.80 0.00 -0.65 0.55 120.51 122.01 1x5d n ALA 112 Ca -0.10 0.79 -0.15 0.00 0.00 0.00 0.00 53.44 53.99 1x5d n ALA 112 Cb 0.30 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.59 -0.96 0.00 3.38 -1.14 0.24 115.31 116.24 1x5d h LEU 113 Ca 0.71 -0.06 0.26 0.00 0.09 0.00 0.00 57.88 58.88 1x5d h LEU 113 Cb 2.07 0.15 -0.13 0.00 0.09 0.00 0.00 40.66 42.84 1x5d h LEU 113 CO -0.53 -0.27 0.49 -0.78 0.09 0.00 0.00 178.44 177.44 1x5d h ASP 114 N -0.94 0.46 0.16 -0.43 1.82 0.33 0.18 116.42 118.00 1x5d h ASP 114 Ca -0.07 0.16 -0.26 0.00 -0.39 0.00 0.00 57.03 56.47 1x5d h ASP 114 Cb 0.62 0.12 0.02 0.00 0.68 0.00 0.00 39.33 40.76 1x5d h ASP 114 CO 0.12 -0.02 -1.05 -0.07 -1.61 0.00 0.00 179.24 176.61 1x5d h LEU 115 N 0.42 0.77 -0.54 2.28 3.38 -1.29 -3.25 115.31 117.07 1x5d h LEU 115 Ca 0.63 -0.64 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1x5d h LEU 115 Cb 1.29 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.71 1x5d h LEU 115 CO -0.55 1.44 -0.01 0.15 0.09 0.00 0.00 178.44 179.57 1x5d h PHE 116 N 0.31 -0.05 -0.15 1.13 3.57 0.25 0.15 116.94 122.15 1x5d h PHE 116 Ca -0.12 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1x5d h PHE 116 Cb 1.71 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.54 1x5d h PHE 116 CO 0.09 -0.14 -0.00 0.66 -2.23 0.00 0.00 178.31 176.69 1x5d h SER 117 N 0.11 0.20 0.68 0.41 4.64 -1.44 0.62 113.55 118.76 1x5d h SER 117 Ca 0.28 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1x5d h SER 117 Cb 0.43 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.48 1x5d h SER 117 CO -0.46 0.24 -0.33 -0.78 -0.87 0.00 0.00 176.83 174.63 1x5d h ASP 118 N 0.22 -0.77 0.00 4.97 1.82 -0.76 -3.40 116.42 118.50 1x5d h ASP 118 Ca 0.05 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1x5d h ASP 118 Cb 0.15 0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.36 1x5d h ASP 118 CO 0.00 -0.48 -0.11 0.78 -1.61 0.00 0.00 179.24 177.82 1x5d h ASN 119 N -1.02 0.00 -4.24 2.28 2.35 -1.25 -3.48 115.58 110.23 1x5d h ASN 119 Ca -0.09 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.14 1x5d h ASN 119 Cb 0.73 0.00 0.13 0.00 0.05 0.00 0.00 38.32 39.22 1x5d h ASN 119 CO 0.15 0.28 0.35 0.00 -1.65 0.00 0.00 177.43 176.56 1x5d s ALA 120 N -2.84 2.25 -0.11 -0.83 0.00 0.21 -4.95 121.76 115.50 1x5d s ALA 120 Ca -0.03 0.53 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 1x5d s ALA 120 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1x5d s ALA 120 CO 0.05 -1.66 1.54 -1.25 0.00 0.00 0.00 175.76 174.43 1x5d s PRO 121 N -4.35 4.14 0.98 0.00 0.04 -1.26 -4.09 135.00 130.46 1x5d s PRO 121 Ca 0.67 1.96 -0.12 0.00 0.04 0.00 0.00 61.00 63.54 1x5d s PRO 121 Cb -0.21 -3.93 0.18 0.00 0.04 0.00 0.00 34.50 30.58 1x5d s PRO 121 CO 0.48 -0.87 1.09 -1.25 0.04 0.00 0.00 177.00 176.49 1x5d s PRO 122 N 3.98 0.55 1.22 0.56 0.04 -1.26 -4.93 135.00 135.15 1x5d s PRO 122 Ca 0.68 0.57 -0.20 0.00 0.04 0.00 0.00 61.00 62.08 1x5d s PRO 122 Cb -0.29 -1.75 0.30 0.00 0.04 0.00 0.00 34.50 32.80 1x5d s PRO 122 CO 0.25 -2.66 1.11 -1.25 0.04 0.00 0.00 177.00 174.49 1x5d s PRO 123 N -4.96 -1.39 -0.48 0.56 0.04 -1.26 -4.87 135.00 122.63 1x5d s PRO 123 Ca 0.65 -0.12 -0.27 0.00 0.04 0.00 0.00 61.00 61.30 1x5d s PRO 123 Cb -0.18 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 1x5d s PRO 123 CO 0.57 -3.81 2.10 -1.21 0.04 0.00 0.00 177.00 174.69 1x5d s GLU 124 N -5.45 2.58 -0.10 4.56 2.02 -1.26 -4.95 118.70 116.10 1x5d s GLU 124 Ca 0.71 1.19 0.03 0.00 0.02 0.00 0.00 54.97 56.93 1x5d s GLU 124 Cb -0.09 -4.44 0.00 0.00 0.10 0.00 0.00 34.13 29.71 1x5d s GLU 124 CO 0.56 -2.75 -0.22 -0.51 0.02 0.00 0.00 175.26 172.36 1x5d s LEU 125 N 9.90 2.03 -0.84 1.80 1.43 -1.26 -5.08 118.68 126.66 1x5d s LEU 125 Ca 0.84 -0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 53.38 1x5d s LEU 125 Cb -0.18 -1.34 0.21 0.00 0.03 0.00 0.00 46.19 44.91 1x5d s LEU 125 CO 0.26 0.12 0.71 -0.22 0.23 0.00 0.00 176.35 177.46 1x5d s LEU 126 N 0.50 5.56 -1.60 1.79 2.96 -1.26 -4.79 118.68 121.83 1x5d s LEU 126 Ca -0.16 -3.49 -0.04 0.00 -0.22 0.00 0.00 54.13 50.23 1x5d s LEU 126 Cb -0.17 -1.92 0.04 0.00 0.50 0.00 0.00 46.19 44.64 1x5d s LEU 126 CO 0.06 -0.24 0.09 1.21 -1.32 0.00 0.00 176.35 176.14 1x5d n GLU 127 N 2.66 -0.91 -0.09 1.98 4.07 -1.26 -4.82 120.64 122.28 1x5d n GLU 127 Ca 0.18 0.10 -0.12 0.00 -0.06 0.00 0.00 57.16 57.26 1x5d n GLU 127 Cb 0.38 -3.74 -0.09 0.00 -0.06 0.00 0.00 31.44 27.93 1x5d n GLU 127 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1x5d h SER 128 N -1.65 -1.57 0.00 4.31 0.87 -2.00 -3.47 113.55 110.04 1x5d h SER 128 Ca -0.65 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 1x5d h SER 128 Cb 1.40 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 1x5d h SER 128 CO 0.74 -0.36 0.00 0.61 -0.53 0.00 0.00 176.83 177.28 1x5d n GLY 129 N -1.33 1.27 0.00 5.77 0.00 -1.26 -4.63 105.19 105.01 1x5d n GLY 129 Ca -0.04 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.29 1.61 -0.04 -1.26 -4.13 135.00 131.38 1x5d n PRO 130 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1x5d n PRO 130 Cb 0.00 -1.37 -0.04 0.00 -0.04 0.00 0.00 33.50 32.05 1x5d n PRO 130 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5d n SER 131 N -0.87 -0.67 -4.29 3.54 2.88 -1.26 -3.95 113.62 108.99 1x5d n SER 131 Ca 0.09 1.27 -0.34 0.00 -1.33 0.00 0.00 58.87 58.55 1x5d n SER 131 Cb 0.04 -0.20 -0.15 0.00 -0.75 0.00 0.00 64.21 63.15 1x5d n SER 131 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5d s SER 132 N -5.33 3.95 0.00 -3.46 1.04 -1.26 -5.21 113.70 103.44 1x5d s SER 132 Ca -0.09 -0.42 0.28 0.00 0.48 0.00 0.00 55.95 56.20 1x5d s SER 132 Cb 0.10 -1.64 0.98 0.00 0.10 0.00 0.00 66.02 65.56 1x5d s SER 132 CO 0.46 0.05 1.70 0.61 0.98 0.00 0.00 173.24 177.05