#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 -4.98 -4.46 1.61 2.88 -1.26 -4.92 113.62 102.49 1x5d n SER 2 Ca 0.00 -0.52 -0.44 0.00 -1.33 0.00 0.00 58.87 56.59 1x5d n SER 2 Cb 0.00 -4.69 -0.02 0.00 -0.75 0.00 0.00 64.21 58.75 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 -3.55 6.76 0.00 -3.46 1.04 -1.26 -4.88 113.70 108.36 1x5d s SER 3 Ca 0.40 -2.32 0.00 0.00 0.48 0.00 0.00 55.95 54.51 1x5d s SER 3 Cb -0.17 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.54 1x5d s SER 3 CO 0.67 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1x5d n GLY 4 N 5.10 4.40 2.44 7.32 0.00 -1.26 -4.95 105.19 118.25 1x5d n GLY 4 Ca 0.28 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 1x5d n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x5d n SER 5 N 0.00 7.56 -0.09 1.61 2.88 -1.26 -4.43 113.62 119.89 1x5d n SER 5 Ca 0.00 -3.73 -0.17 0.00 -1.33 0.00 0.00 58.87 53.64 1x5d n SER 5 Cb 0.00 -1.01 -0.06 0.00 -0.75 0.00 0.00 64.21 62.39 1x5d n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x5d n SER 6 N -0.69 1.53 0.00 -3.46 3.41 -1.26 -5.12 113.62 108.03 1x5d n SER 6 Ca 0.58 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 1x5d n SER 6 Cb 0.55 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1x5d n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5d n GLY 7 N 1.81 0.84 0.11 5.00 0.00 -1.26 -4.68 105.19 107.01 1x5d n GLY 7 Ca -0.30 -0.99 -0.00 0.00 0.00 0.00 0.00 46.02 44.72 1x5d n GLY 7 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1x5d h ASP 8 N 0.00 0.00 -2.29 1.61 3.58 -1.94 -3.46 116.42 113.92 1x5d h ASP 8 Ca 0.00 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.90 1x5d h ASP 8 Cb 0.00 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.07 1x5d h ASP 8 CO 0.00 0.63 1.23 0.52 -2.88 0.00 0.00 179.24 178.74 1x5d n VAL 9 N -3.14 0.73 -3.92 2.25 0.31 -1.26 -4.69 118.33 108.62 1x5d n VAL 9 Ca -0.03 -0.14 -0.35 0.00 -0.01 0.00 0.00 64.34 63.81 1x5d n VAL 9 Cb 0.82 -2.26 -0.08 0.00 -0.91 0.00 0.00 33.84 31.40 1x5d n VAL 9 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1x5d s ILE 10 N 4.54 5.12 -0.12 2.52 1.01 -1.04 -4.89 121.20 128.34 1x5d s ILE 10 Ca 0.90 0.08 -0.18 0.00 0.00 0.00 0.00 60.65 61.45 1x5d s ILE 10 Cb -0.47 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1x5d s ILE 10 CO 0.43 0.50 0.47 -0.70 0.00 0.00 0.00 174.94 175.65 1x5d s GLU 11 N -0.07 4.34 0.52 2.79 2.12 -1.26 -1.82 118.70 125.32 1x5d s GLU 11 Ca 0.08 0.44 0.05 0.00 0.36 0.00 0.00 54.97 55.90 1x5d s GLU 11 Cb -0.12 -3.44 0.02 0.00 0.26 0.00 0.00 34.13 30.85 1x5d s GLU 11 CO 0.00 0.15 0.30 -0.51 -0.54 0.00 0.00 175.26 174.67 1x5d s LEU 12 N 0.64 2.69 0.31 2.70 1.43 -1.23 -5.01 118.68 120.20 1x5d s LEU 12 Ca 0.26 -1.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.09 1x5d s LEU 12 Cb -0.15 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 1x5d s LEU 12 CO 0.10 -0.98 0.12 -0.89 0.23 0.00 0.00 176.35 174.94 1x5d s THR 13 N -2.76 0.56 0.04 5.49 2.01 -1.26 -4.91 115.64 114.81 1x5d s THR 13 Ca 0.29 -2.00 -0.21 0.00 0.31 0.00 0.00 61.69 60.08 1x5d s THR 13 Cb -0.01 -2.56 -0.11 0.00 0.01 0.00 0.00 72.50 69.83 1x5d s THR 13 CO 0.18 0.00 1.33 -2.24 -0.69 0.00 0.00 174.62 173.20 1x5d h ASP 14 N 2.18 -0.76 -0.23 3.53 3.04 -1.98 0.57 116.42 122.78 1x5d h ASP 14 Ca -0.36 0.05 -0.07 0.00 -3.24 0.00 0.00 57.03 53.41 1x5d h ASP 14 Cb 1.25 0.23 -0.04 0.00 -1.04 0.00 0.00 39.33 39.73 1x5d h ASP 14 CO 0.58 -0.43 0.08 0.47 -2.04 0.00 0.00 179.24 177.90 1x5d n ASP 15 N -4.16 2.77 0.00 4.15 8.00 -1.26 -3.52 116.55 122.54 1x5d n ASP 15 Ca -0.08 -2.36 0.00 0.00 0.71 0.00 0.00 54.79 53.05 1x5d n ASP 15 Cb 0.29 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 1x5d n ASP 15 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1x5d n SER 16 N 0.11 3.31 0.14 -2.24 7.64 -0.95 -4.61 113.62 117.02 1x5d n SER 16 Ca 0.12 0.00 0.19 0.00 1.01 0.00 0.00 58.87 60.19 1x5d n SER 16 Cb 0.67 0.33 0.67 0.00 -1.01 0.00 0.00 64.21 64.88 1x5d n SER 16 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 1x5d h PHE 17 N 0.00 0.00 0.00 1.43 3.04 0.10 1.05 116.94 122.56 1x5d h PHE 17 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1x5d h PHE 17 Cb 0.66 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.17 1x5d h PHE 17 CO 0.00 0.00 -1.54 -0.25 -2.02 0.00 0.00 178.31 174.50 1x5d n ASP 18 N -3.33 0.38 0.02 0.41 8.00 -1.26 -2.87 116.55 117.89 1x5d n ASP 18 Ca 0.06 0.07 0.12 0.00 0.71 0.00 0.00 54.79 55.75 1x5d n ASP 18 Cb 0.70 1.32 0.17 0.00 -0.02 0.00 0.00 41.12 43.29 1x5d n ASP 18 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1x5d n LYS 19 N -2.36 0.11 -0.08 -1.24 2.85 0.33 -2.84 118.16 114.93 1x5d n LYS 19 Ca -0.02 0.02 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 1x5d n LYS 19 Cb 0.54 -1.55 -0.10 0.00 -0.65 0.00 0.00 35.03 33.27 1x5d n LYS 19 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1x5d n ASN 20 N -1.69 1.93 -0.03 -5.58 0.23 0.51 -4.23 115.26 106.40 1x5d n ASN 20 Ca 0.04 -0.03 -0.02 0.00 -0.53 0.00 0.00 54.58 54.04 1x5d n ASN 20 Cb 0.37 0.46 -0.01 0.00 -2.08 0.00 0.00 39.78 38.53 1x5d n ASN 20 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1x5d h VAL 21 N 0.00 0.00 -0.52 3.53 2.07 -1.69 -3.36 116.25 116.28 1x5d h VAL 21 Ca -0.38 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 66.85 1x5d h VAL 21 Cb 1.78 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 1x5d h VAL 21 CO -0.01 0.00 0.14 -0.07 0.02 0.00 0.00 177.57 177.65 1x5d h LEU 22 N -0.37 0.08 -1.04 2.57 3.38 -1.71 0.24 115.31 118.45 1x5d h LEU 22 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1x5d h LEU 22 Cb 0.18 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1x5d h LEU 22 CO 0.00 0.07 0.22 -0.90 0.09 0.00 0.00 178.44 177.91 1x5d n ASP 23 N -5.07 0.40 -4.25 -0.43 5.75 -1.18 -4.38 116.55 107.40 1x5d n ASP 23 Ca 0.06 0.62 -0.30 0.00 -0.01 0.00 0.00 54.79 55.16 1x5d n ASP 23 Cb 0.25 -0.60 -0.16 0.00 -1.03 0.00 0.00 41.12 39.58 1x5d n ASP 23 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1x5d s SER 24 N -3.59 2.78 -0.19 -1.12 0.15 0.83 -5.01 113.70 107.55 1x5d s SER 24 Ca -0.02 -0.44 0.02 0.00 0.70 0.00 0.00 55.95 56.21 1x5d s SER 24 Cb 0.04 -0.53 0.31 0.00 -1.71 0.00 0.00 66.02 64.13 1x5d s SER 24 CO 0.14 0.25 1.36 -1.84 1.20 0.00 0.00 173.24 174.36 1x5d n GLU 25 N 2.75 1.75 -4.27 5.44 0.28 -1.26 -4.84 120.64 120.49 1x5d n GLU 25 Ca -0.17 -1.37 -0.24 0.00 -0.16 0.00 0.00 57.16 55.22 1x5d n GLU 25 Cb 0.52 -1.58 -0.07 0.00 1.43 0.00 0.00 31.44 31.73 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 -0.09 4.58 -0.04 -1.84 1.11 -1.26 -4.84 116.67 114.29 1x5d s ASP 26 Ca 0.26 -0.57 -0.30 0.00 0.18 0.00 0.00 52.55 52.12 1x5d s ASP 26 Cb 0.21 -0.88 -0.05 0.00 1.07 0.00 0.00 42.92 43.27 1x5d s ASP 26 CO 0.05 0.03 1.40 -0.69 1.18 0.00 0.00 175.17 177.15 1x5d s VAL 27 N -2.11 3.83 -0.30 -1.27 1.01 -1.23 -4.75 120.40 115.59 1x5d s VAL 27 Ca 0.30 1.14 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 1x5d s VAL 27 Cb -0.07 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.61 1x5d s VAL 27 CO 0.19 -0.04 0.00 0.26 0.00 0.00 0.00 175.10 175.52 1x5d s TRP 28 N 2.84 3.23 -0.71 5.22 0.52 -1.19 -1.15 118.94 127.70 1x5d s TRP 28 Ca 0.63 -1.74 -0.25 0.00 0.02 0.00 0.00 56.10 54.77 1x5d s TRP 28 Cb -0.30 -2.12 0.05 0.00 -1.15 0.00 0.00 33.47 29.95 1x5d s TRP 28 CO 0.25 -0.78 1.13 -1.64 0.02 0.00 0.00 176.95 175.93 1x5d s MET 29 N 1.29 3.16 -0.19 4.98 -1.94 -0.24 -2.99 119.30 123.38 1x5d s MET 29 Ca -0.04 -0.57 -0.20 0.00 -1.71 0.00 0.00 55.69 53.17 1x5d s MET 29 Cb -0.19 -4.24 -0.03 0.00 2.01 0.00 0.00 34.83 32.38 1x5d s MET 29 CO -0.01 -1.98 0.60 0.08 -0.01 0.00 0.00 175.02 173.70 1x5d s VAL 30 N 4.86 5.05 -0.11 -6.03 1.01 -0.46 -0.08 120.40 124.63 1x5d s VAL 30 Ca 0.29 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.43 1x5d s VAL 30 Cb -0.12 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1x5d s VAL 30 CO 0.12 0.14 -0.18 -0.70 0.00 0.00 0.00 175.10 174.48 1x5d s GLU 31 N 1.74 2.46 -0.26 2.72 -6.30 -0.51 -0.27 118.70 118.28 1x5d s GLU 31 Ca 0.28 -0.66 -0.13 0.00 -2.50 0.00 0.00 54.97 51.96 1x5d s GLU 31 Cb -0.16 -2.03 -0.04 0.00 0.00 0.00 0.00 34.13 31.90 1x5d s GLU 31 CO 0.11 -0.02 0.28 -0.06 0.02 0.00 0.00 175.26 175.59 1x5d s PHE 32 N 0.85 3.27 0.33 5.30 0.40 0.69 0.13 117.98 128.95 1x5d s PHE 32 Ca -0.09 0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.60 1x5d s PHE 32 Cb -0.15 -2.45 -0.06 0.00 0.51 0.00 0.00 43.02 40.86 1x5d s PHE 32 CO -0.00 -0.12 0.05 1.52 0.70 0.00 0.00 175.22 177.38 1x5d s TYR 33 N 1.66 1.99 -0.08 0.36 -0.85 -0.76 -1.18 117.35 118.50 1x5d s TYR 33 Ca 0.12 -0.94 0.04 0.00 -0.52 0.00 0.00 57.07 55.77 1x5d s TYR 33 Cb -0.15 -1.30 0.00 0.00 0.38 0.00 0.00 41.96 40.88 1x5d s TYR 33 CO 0.09 0.04 -0.20 0.00 -1.52 0.00 0.00 175.55 173.95 1x5d s ALA 34 N -3.26 1.84 -0.96 9.51 0.00 -1.26 -3.46 121.76 124.17 1x5d s ALA 34 Ca 0.36 -0.80 0.15 0.00 0.00 0.00 0.00 51.96 51.67 1x5d s ALA 34 Cb 0.09 -0.68 0.63 0.00 0.00 0.00 0.00 23.12 23.16 1x5d s ALA 34 CO 0.16 0.26 1.47 -0.35 0.00 0.00 0.00 175.76 177.30 1x5d n PRO 35 N 3.45 0.01 -0.11 0.00 -0.04 -1.26 -2.21 135.00 134.84 1x5d n PRO 35 Ca -0.20 0.27 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 1x5d n PRO 35 Cb 0.53 -1.53 0.14 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.12 -4.85 0.54 4.27 -1.26 -5.01 117.44 109.69 1x5d n TRP 36 Ca 0.03 -0.94 -0.31 0.00 -3.89 0.00 0.00 57.50 52.39 1x5d n TRP 36 Cb 0.17 -0.16 -0.13 0.00 -1.36 0.00 0.00 31.31 29.82 1x5d n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5d h GLY 38 N 4.96 -0.55 -0.72 0.00 0.00 -1.95 -3.14 103.07 101.67 1x5d h GLY 38 Ca -0.46 0.20 0.17 0.00 0.00 0.00 0.00 47.33 47.24 1x5d h GLY 38 CO 0.48 -0.20 -0.09 1.42 0.00 0.00 0.00 176.54 178.15 1x5d n HIS 39 N -5.14 0.35 0.33 5.60 8.25 -1.26 0.68 115.22 124.03 1x5d n HIS 39 Ca -0.09 0.87 -0.17 0.00 -0.26 0.00 0.00 57.72 58.08 1x5d n HIS 39 Cb 0.27 -0.97 -0.09 0.00 1.12 0.00 0.00 29.99 30.32 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 -0.82 0.02 0.01 0.00 1.79 0.30 2.08 116.57 119.94 1x5d h LYS 41 Ca -0.08 -0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.12 1x5d h LYS 41 Cb 0.64 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.25 1x5d h LYS 41 CO 0.12 0.01 -1.44 -0.91 -1.08 0.00 0.00 179.45 176.16 1x5d h ASN 42 N 0.02 0.04 1.41 0.86 2.35 -0.99 -3.30 115.58 115.97 1x5d h ASN 42 Ca 0.88 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.57 1x5d h ASN 42 Cb 3.14 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 41.49 1x5d h ASN 42 CO -0.26 1.05 -0.01 -0.11 -1.65 0.00 0.00 177.43 176.46 1x5d n LEU 43 N -3.20 0.71 0.22 1.61 7.94 0.65 -3.71 117.00 121.23 1x5d n LEU 43 Ca -0.11 0.56 -0.18 0.00 -1.11 0.00 0.00 56.01 55.18 1x5d n LEU 43 Cb 1.01 -0.34 -0.10 0.00 0.53 0.00 0.00 43.42 44.52 1x5d n LEU 43 CO 0.46 -0.16 0.52 -0.08 -1.11 0.00 0.00 177.39 177.02 1x5d h GLU 44 N 0.00 -0.88 0.00 1.96 4.81 0.00 0.37 114.58 120.84 1x5d h GLU 44 Ca 0.00 0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1x5d h GLU 44 Cb 0.71 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1x5d h GLU 44 CO 0.00 -0.59 -0.44 -1.00 -0.73 0.00 0.00 179.01 176.25 1x5d h PRO 45 N -0.91 0.00 -0.30 0.92 0.13 -1.78 -1.59 132.00 128.47 1x5d h PRO 45 Ca -0.04 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.92 1x5d h PRO 45 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1x5d h PRO 45 CO -0.15 0.44 -0.47 0.93 -0.23 0.00 0.00 178.00 178.51 1x5d h GLU 46 N 0.00 0.79 0.06 0.86 4.39 -1.55 -2.26 114.58 116.87 1x5d h GLU 46 Ca -0.00 -0.46 -0.22 0.00 0.34 0.00 0.00 59.36 59.02 1x5d h GLU 46 Cb 0.83 0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.53 1x5d h GLU 46 CO 0.06 1.09 -0.90 2.35 -1.16 0.00 0.00 179.01 180.45 1x5d h TRP 47 N 0.63 0.79 -0.22 4.33 2.91 -0.17 -2.47 115.95 121.73 1x5d h TRP 47 Ca 0.03 -0.47 0.02 0.00 1.13 0.00 0.00 58.89 59.60 1x5d h TRP 47 Cb 1.05 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.60 1x5d h TRP 47 CO 0.06 1.31 0.08 0.00 -1.03 0.00 0.00 178.44 178.86 1x5d h ALA 48 N 0.28 0.25 0.36 2.65 0.00 -1.33 -1.76 119.26 119.71 1x5d h ALA 48 Ca -0.13 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1x5d h ALA 48 Cb 1.61 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1x5d h ALA 48 CO 0.17 -0.34 -0.17 0.00 0.00 0.00 0.00 179.25 178.91 1x5d h ALA 49 N 1.14 -0.48 -0.80 0.00 0.00 -1.51 -3.16 119.26 114.46 1x5d h ALA 49 Ca 0.10 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 55.02 1x5d h ALA 49 Cb 0.06 0.19 -0.14 0.00 0.00 0.00 0.00 17.79 17.90 1x5d h ALA 49 CO -0.10 -0.64 -0.01 0.00 0.00 0.00 0.00 179.25 178.50 1x5d h ALA 50 N -0.21 0.82 -0.88 0.00 0.00 -1.37 0.28 119.26 117.90 1x5d h ALA 50 Ca -0.05 0.26 0.22 0.00 0.00 0.00 0.00 54.91 55.34 1x5d h ALA 50 Cb 0.50 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 18.63 1x5d h ALA 50 CO 0.08 -0.44 0.34 0.00 0.00 0.00 0.00 179.25 179.23 1x5d h ALA 51 N 1.76 1.36 -0.17 0.00 0.00 -1.28 0.68 119.26 121.61 1x5d h ALA 51 Ca 0.44 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.46 1x5d h ALA 51 Cb 0.79 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1x5d h ALA 51 CO -0.72 -0.38 -0.17 0.77 0.00 0.00 0.00 179.25 178.75 1x5d h SER 52 N 0.34 0.45 0.47 0.00 0.02 -0.50 0.12 113.55 114.45 1x5d h SER 52 Ca 0.55 -0.48 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1x5d h SER 52 Cb 1.05 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1x5d h SER 52 CO -0.56 0.84 -0.14 -0.08 -1.14 0.00 0.00 176.83 175.75 1x5d h GLU 53 N 0.07 0.00 0.20 3.45 4.57 -0.25 -1.88 114.58 120.73 1x5d h GLU 53 Ca 0.03 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.86 1x5d h GLU 53 Cb 0.71 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.32 1x5d h GLU 53 CO 0.04 0.14 -1.72 0.28 -1.18 0.00 0.00 179.01 176.58 1x5d h VAL 54 N 0.00 0.99 -0.42 0.32 2.07 0.42 -3.01 116.25 116.62 1x5d h VAL 54 Ca -0.00 -2.54 -0.07 0.00 0.82 0.00 0.00 66.70 64.91 1x5d h VAL 54 Cb 0.42 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 1x5d h VAL 54 CO 0.02 0.85 -0.03 0.50 0.02 0.00 0.00 177.57 178.93 1x5d h LYS 55 N 0.12 0.71 -0.05 1.57 3.64 -0.75 0.41 116.57 122.22 1x5d h LYS 55 Ca -0.33 -0.19 -0.18 0.00 -1.27 0.00 0.00 60.65 58.67 1x5d h LYS 55 Cb 2.12 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.85 1x5d h LYS 55 CO 0.19 0.74 -0.76 1.05 -2.27 0.00 0.00 179.45 178.41 1x5d h GLU 56 N 0.66 0.32 0.15 1.90 4.11 -1.47 1.21 114.58 121.45 1x5d h GLU 56 Ca 0.13 -0.28 -0.28 0.00 0.07 0.00 0.00 59.36 59.00 1x5d h GLU 56 Cb 0.46 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.78 1x5d h GLU 56 CO 0.02 0.93 -1.28 1.96 0.07 0.00 0.00 179.01 180.72 1x5d h GLN 57 N 0.21 0.33 -0.11 1.06 4.20 -1.34 -3.27 115.11 116.19 1x5d h GLN 57 Ca -0.03 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 58.12 1x5d h GLN 57 Cb 1.33 0.20 0.00 0.00 0.30 0.00 0.00 27.48 29.32 1x5d h GLN 57 CO 0.12 1.26 0.00 0.25 -0.67 0.00 0.00 178.83 179.80 1x5d n THR 58 N -3.58 0.12 -2.34 -0.54 -2.24 0.14 -4.94 114.28 100.91 1x5d n THR 58 Ca -0.10 -0.48 -0.19 0.00 -2.27 0.00 0.00 64.05 61.01 1x5d n THR 58 Cb 1.03 1.09 -0.01 0.00 -2.10 0.00 0.00 70.33 70.34 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 1.05 -1.51 -0.16 -0.78 4.01 0.18 -1.14 118.16 119.81 1x5d n LYS 59 Ca 0.16 0.93 0.00 0.00 -0.51 0.00 0.00 58.31 58.89 1x5d n LYS 59 Cb 0.53 -5.48 0.00 0.00 -0.51 0.00 0.00 35.03 29.57 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 -1.01 1.48 0.41 0.72 0.00 0.36 -4.93 105.19 102.22 1x5d n GLY 60 Ca -0.22 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 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 3.11 -0.80 -4.95 1.61 1.63 -1.38 -3.36 116.57 112.43 1x5d h LYS 61 Ca 0.00 0.05 -0.68 0.00 -0.85 0.00 0.00 60.65 59.17 1x5d h LYS 61 Cb 0.00 0.18 -0.18 0.00 -0.60 0.00 0.00 32.23 31.63 1x5d h LYS 61 CO 0.00 -0.53 0.18 0.08 -3.45 0.00 0.00 179.45 175.73 1x5d s VAL 62 N -5.98 4.74 0.42 2.00 1.01 -1.26 -3.51 120.40 117.81 1x5d s VAL 62 Ca -0.17 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1x5d s VAL 62 Cb 0.05 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 1x5d s VAL 62 CO 0.62 -1.07 0.70 -0.54 0.00 0.00 0.00 175.10 174.81 1x5d s LYS 63 N 2.94 3.57 -0.13 2.72 1.02 -0.30 -4.37 119.74 125.18 1x5d s LYS 63 Ca 0.15 0.09 0.02 0.00 0.02 0.00 0.00 55.97 56.25 1x5d s LYS 63 Cb -0.21 -2.48 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 1x5d s LYS 63 CO 0.09 -0.05 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.77 1x5d s LEU 64 N -4.38 1.97 0.17 3.17 1.02 -1.26 -1.08 118.68 118.29 1x5d s LEU 64 Ca 0.46 -0.55 0.08 0.00 0.02 0.00 0.00 54.13 54.14 1x5d s LEU 64 Cb -0.10 -1.33 -0.04 0.00 0.02 0.00 0.00 46.19 44.74 1x5d s LEU 64 CO 0.39 0.05 -0.17 0.00 0.02 0.00 0.00 176.35 176.64 1x5d s ALA 65 N 0.95 1.97 0.23 4.21 0.00 0.88 -2.49 121.76 127.50 1x5d s ALA 65 Ca -0.05 -1.53 0.11 0.00 0.00 0.00 0.00 51.96 50.49 1x5d s ALA 65 Cb -0.15 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 1x5d s ALA 65 CO -0.03 0.17 -0.20 0.00 0.00 0.00 0.00 175.76 175.70 1x5d s ALA 66 N -2.34 2.45 -0.03 0.00 0.00 -0.75 -1.43 121.76 119.67 1x5d s ALA 66 Ca 0.17 -1.72 -0.04 0.00 0.00 0.00 0.00 51.96 50.38 1x5d s ALA 66 Cb -0.04 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.85 1x5d s ALA 66 CO 0.06 0.28 0.10 0.08 0.00 0.00 0.00 175.76 176.28 1x5d s VAL 67 N -2.28 0.02 -0.63 0.00 1.01 0.12 -3.55 120.40 115.09 1x5d s VAL 67 Ca 0.24 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 61.87 1x5d s VAL 67 Cb -0.05 -0.20 0.11 0.00 0.00 0.00 0.00 36.38 36.24 1x5d s VAL 67 CO 0.11 -0.09 0.74 -1.81 0.00 0.00 0.00 175.10 174.05 1x5d s ASP 68 N -0.25 6.24 0.28 3.32 1.11 -1.26 -1.84 116.67 124.27 1x5d s ASP 68 Ca -0.03 -1.53 0.14 0.00 0.18 0.00 0.00 52.55 51.31 1x5d s ASP 68 Cb -0.02 -2.31 0.76 0.00 1.07 0.00 0.00 42.92 42.42 1x5d s ASP 68 CO 0.00 -1.09 1.35 0.00 1.18 0.00 0.00 175.17 176.61 1x5d n ALA 69 N 6.25 0.77 0.16 5.23 0.00 -1.22 0.02 120.51 131.72 1x5d n ALA 69 Ca -0.06 0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.55 1x5d n ALA 69 Cb 0.43 -0.95 0.18 0.00 0.00 0.00 0.00 19.45 19.11 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 0.90 0.00 0.00 1.35 -1.90 -3.36 112.91 109.91 1x5d h THR 70 Ca 0.00 -1.92 -0.16 0.00 -0.55 0.00 0.00 66.41 63.78 1x5d h THR 70 Cb 0.37 2.20 -0.03 0.00 -1.73 0.00 0.00 68.15 68.96 1x5d h THR 70 CO 0.00 0.45 -1.59 0.52 -0.25 0.00 0.00 175.52 174.65 1x5d n VAL 71 N -3.37 0.59 -2.69 6.82 0.31 0.10 -4.93 118.33 115.16 1x5d n VAL 71 Ca 0.01 -0.27 -0.43 0.00 -0.01 0.00 0.00 64.34 63.64 1x5d n VAL 71 Cb 0.63 -0.85 -0.03 0.00 -0.91 0.00 0.00 33.84 32.69 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 -4.72 6.51 -0.15 4.52 0.01 0.60 -4.83 114.94 116.87 1x5d s ASN 72 Ca -0.11 0.16 0.04 0.00 -0.71 0.00 0.00 52.86 52.24 1x5d s ASN 72 Cb 0.03 -2.51 -0.12 0.00 0.41 0.00 0.00 41.25 39.06 1x5d s ASN 72 CO 0.27 -1.26 -0.09 0.00 -1.51 0.00 0.00 177.10 174.52 1x5d n GLN 73 N 7.77 0.88 -0.32 -0.60 1.13 -1.26 -3.78 117.38 121.19 1x5d n GLN 73 Ca 0.08 0.06 0.01 0.00 -1.94 0.00 0.00 57.00 55.22 1x5d n GLN 73 Cb 0.49 -1.32 0.15 0.00 0.11 0.00 0.00 30.24 29.66 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 1.04 0.00 5.09 2.07 -1.94 -0.09 116.25 122.43 1x5d h VAL 74 Ca -0.36 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1x5d h VAL 74 Cb 1.63 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1x5d h VAL 74 CO -0.03 0.18 -0.26 -0.07 0.02 0.00 0.00 177.57 177.42 1x5d h LEU 75 N 1.01 0.00 -0.88 2.57 3.38 -1.87 -2.79 115.31 116.73 1x5d h LEU 75 Ca 0.39 -0.62 0.23 0.00 0.09 0.00 0.00 57.88 57.97 1x5d h LEU 75 Cb 0.18 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.80 1x5d h LEU 75 CO -0.18 0.96 0.33 0.00 0.09 0.00 0.00 178.44 179.64 1x5d h ALA 76 N -0.38 1.37 -0.16 1.53 0.00 -1.64 0.12 119.26 120.11 1x5d h ALA 76 Ca -0.06 0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 1x5d h ALA 76 Cb 0.79 0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.80 1x5d h ALA 76 CO -0.04 -0.39 -0.75 1.03 0.00 0.00 0.00 179.25 179.10 1x5d h SER 77 N 0.32 0.89 -0.52 0.00 0.87 -1.14 2.00 113.55 115.97 1x5d h SER 77 Ca 0.55 -0.57 0.10 0.00 -1.23 0.00 0.00 61.79 60.65 1x5d h SER 77 Cb 1.08 -0.26 -0.09 0.00 -0.44 0.00 0.00 62.40 62.69 1x5d h SER 77 CO -0.57 1.36 -0.08 -0.09 -0.53 0.00 0.00 176.83 176.92 1x5d h ARG 78 N 0.52 0.04 0.00 2.24 2.43 -0.49 -2.76 114.38 116.37 1x5d h ARG 78 Ca -0.04 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1x5d h ARG 78 Cb 1.36 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1x5d h ARG 78 CO 0.15 0.03 -1.97 0.66 -1.51 0.00 0.00 179.97 177.33 1x5d n TYR 79 N -5.32 0.00 -1.33 2.20 4.01 -0.81 -5.05 117.16 110.86 1x5d n TYR 79 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1x5d n TYR 79 Cb 0.28 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 38.82 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 1.34 -0.25 3.43 2.72 0.00 0.63 -5.05 105.19 108.01 1x5d n GLY 80 Ca -0.05 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.48 4.61 0.00 -0.61 -1.09 0.17 -4.86 121.20 116.95 1x5d s ILE 81 Ca 0.00 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 1x5d s ILE 81 Cb 0.00 -3.40 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1x5d s ILE 81 CO 0.00 -0.00 0.00 0.54 -1.23 0.00 0.00 174.94 174.25 1x5d n ARG 82 N 4.99 1.61 -3.25 2.79 5.12 -1.26 -4.87 116.66 121.79 1x5d n ARG 82 Ca -0.13 0.00 -0.46 0.00 -1.93 0.00 0.00 57.85 55.33 1x5d n ARG 82 Cb 0.48 -0.72 -0.03 0.00 -1.16 0.00 0.00 32.46 31.03 1x5d n ARG 82 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1x5d s GLY 83 N -2.05 2.27 0.26 -0.13 0.00 -1.26 -5.05 107.32 101.36 1x5d s GLY 83 Ca 0.00 -2.85 -0.03 0.00 0.00 0.00 0.00 44.72 41.84 1x5d s GLY 83 CO 0.00 1.36 0.50 -1.36 0.00 0.00 0.00 173.10 173.60 1x5d s PHE 84 N 1.24 3.48 0.79 1.90 0.08 -1.26 -4.13 117.98 120.09 1x5d s PHE 84 Ca 0.13 0.54 -0.11 0.00 0.12 0.00 0.00 56.93 57.61 1x5d s PHE 84 Cb -0.18 -2.02 0.07 0.00 -0.57 0.00 0.00 43.02 40.32 1x5d s PHE 84 CO -0.03 0.24 1.09 -1.25 -0.10 0.00 0.00 175.22 175.18 1x5d s PRO 85 N -3.48 2.08 -0.19 0.24 0.04 -1.26 -4.92 135.00 127.51 1x5d s PRO 85 Ca 0.42 1.11 -0.05 0.00 0.04 0.00 0.00 61.00 62.52 1x5d s PRO 85 Cb -0.11 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.62 1x5d s PRO 85 CO 0.30 -1.75 0.10 0.99 0.04 0.00 0.00 177.00 176.67 1x5d s THR 86 N -2.91 -0.07 -0.24 1.26 2.01 -0.33 -4.95 115.64 110.41 1x5d s THR 86 Ca 0.62 -0.26 -0.12 0.00 0.31 0.00 0.00 61.69 62.24 1x5d s THR 86 Cb -0.17 -0.64 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 1x5d s THR 86 CO 0.56 -0.35 0.22 -0.63 -0.69 0.00 0.00 174.62 173.73 1x5d s ILE 87 N 2.13 5.31 -0.05 1.82 1.01 -1.26 -0.22 121.20 129.94 1x5d s ILE 87 Ca 0.03 0.30 0.02 0.00 0.00 0.00 0.00 60.65 61.00 1x5d s ILE 87 Cb -0.16 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.77 1x5d s ILE 87 CO -0.13 0.31 -0.08 -0.54 0.00 0.00 0.00 174.94 174.49 1x5d s LYS 88 N 1.24 1.18 -0.13 2.79 -0.14 0.62 -1.65 119.74 123.65 1x5d s LYS 88 Ca 0.10 -0.27 -0.11 0.00 -1.36 0.00 0.00 55.97 54.34 1x5d s LYS 88 Cb -0.14 -1.06 -0.05 0.00 -1.68 0.00 0.00 37.83 34.91 1x5d s LYS 88 CO 0.06 0.01 0.22 0.42 -0.76 0.00 0.00 175.35 175.30 1x5d s ILE 89 N 0.64 5.36 -0.11 2.17 1.09 -0.92 -1.36 121.20 128.06 1x5d s ILE 89 Ca -0.11 0.39 0.03 0.00 -1.10 0.00 0.00 60.65 59.86 1x5d s ILE 89 Cb -0.14 -3.53 -0.00 0.00 -1.06 0.00 0.00 42.46 37.73 1x5d s ILE 89 CO 0.02 0.50 -0.20 -0.36 -0.10 0.00 0.00 174.94 174.80 1x5d s PHE 90 N -0.26 2.65 -0.03 3.97 0.40 -1.16 -1.31 117.98 122.24 1x5d s PHE 90 Ca 0.15 -0.96 0.07 0.00 -0.60 0.00 0.00 56.93 55.59 1x5d s PHE 90 Cb -0.13 -1.76 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 1x5d s PHE 90 CO 0.04 -0.38 -0.24 -0.65 0.70 0.00 0.00 175.22 174.69 1x5d s GLN 91 N 0.40 2.27 -0.24 0.44 -0.21 -1.26 -3.20 119.66 117.86 1x5d s GLN 91 Ca -0.15 -0.89 -0.28 0.00 0.02 0.00 0.00 55.36 54.06 1x5d s GLN 91 Cb -0.17 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 1x5d s GLN 91 CO 0.07 0.53 1.99 0.21 -2.12 0.00 0.00 175.29 175.97 1x5d s LYS 92 N -0.54 3.36 0.00 2.91 2.47 -1.26 -2.81 119.74 123.87 1x5d s LYS 92 Ca 0.08 1.83 0.00 0.00 -1.56 0.00 0.00 55.97 56.32 1x5d s LYS 92 Cb -0.11 -4.26 0.00 0.00 -1.46 0.00 0.00 37.83 32.00 1x5d s LYS 92 CO 0.00 -1.84 0.00 0.41 0.16 0.00 0.00 175.35 174.08 1x5d n GLY 93 N 5.43 2.96 3.90 5.54 0.00 -1.26 -5.03 105.19 116.73 1x5d n GLY 93 Ca 0.25 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 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 3.22 0.52 1.61 2.02 -1.12 -5.06 118.70 119.89 1x5d s GLU 94 Ca 0.00 0.26 -0.18 0.00 0.02 0.00 0.00 54.97 55.07 1x5d s GLU 94 Cb 0.00 -2.23 -0.07 0.00 0.10 0.00 0.00 34.13 31.93 1x5d s GLU 94 CO 0.00 -0.57 1.02 -1.54 0.02 0.00 0.00 175.26 174.18 1x5d s SER 95 N -4.23 6.34 0.26 -0.19 1.04 -1.26 -4.19 113.70 111.47 1x5d s SER 95 Ca 0.53 1.75 -0.29 0.00 0.48 0.00 0.00 55.95 58.42 1x5d s SER 95 Cb -0.11 -2.53 -0.09 0.00 0.10 0.00 0.00 66.02 63.39 1x5d s SER 95 CO 0.48 -0.78 1.26 -2.16 0.98 0.00 0.00 173.24 173.01 1x5d s PRO 96 N -3.73 4.43 0.21 4.02 0.04 -1.26 -4.60 135.00 134.12 1x5d s PRO 96 Ca 0.63 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.76 1x5d s PRO 96 Cb -0.13 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 1x5d s PRO 96 CO 0.27 -0.12 0.34 0.14 0.04 0.00 0.00 177.00 177.67 1x5d s VAL 97 N -0.61 5.28 -0.35 -0.36 -7.23 -0.43 -4.94 120.40 111.76 1x5d s VAL 97 Ca 0.51 -0.90 -0.15 0.00 -1.81 0.00 0.00 61.98 59.64 1x5d s VAL 97 Cb -0.37 -3.82 -0.01 0.00 0.56 0.00 0.00 36.38 32.74 1x5d s VAL 97 CO 0.44 -0.26 0.33 -1.81 -0.31 0.00 0.00 175.10 173.49 1x5d s ASP 98 N -3.75 6.14 -0.36 4.85 1.11 -1.26 -2.16 116.67 121.25 1x5d s ASP 98 Ca 0.34 -0.33 -0.29 0.00 0.18 0.00 0.00 52.55 52.45 1x5d s ASP 98 Cb -0.10 -2.18 0.02 0.00 1.07 0.00 0.00 42.92 41.73 1x5d s ASP 98 CO 0.29 -0.32 1.17 -0.47 1.18 0.00 0.00 175.17 177.01 1x5d s TYR 99 N 1.92 2.91 -0.49 4.23 6.14 -0.66 -4.97 117.35 126.43 1x5d s TYR 99 Ca 0.10 0.97 0.03 0.00 0.64 0.00 0.00 57.07 58.81 1x5d s TYR 99 Cb -0.17 -3.96 0.14 0.00 0.42 0.00 0.00 41.96 38.40 1x5d s TYR 99 CO 0.11 -1.20 0.28 -0.51 0.64 0.00 0.00 175.55 174.88 1x5d s ASP 100 N 2.26 3.82 0.00 4.32 1.01 -1.26 -4.50 116.67 122.32 1x5d s ASP 100 Ca 0.50 -2.91 0.00 0.00 0.71 0.00 0.00 52.55 50.85 1x5d s ASP 100 Cb -0.12 -1.22 0.00 0.00 1.01 0.00 0.00 42.92 42.59 1x5d s ASP 100 CO 0.22 -0.23 0.00 0.61 0.21 0.00 0.00 175.17 175.98 1x5d n GLY 101 N 3.18 3.58 3.70 0.21 0.00 -1.26 -5.15 105.19 109.45 1x5d n GLY 101 Ca 0.11 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.19 1.98 -0.75 -0.02 0.00 -1.26 -4.93 107.32 102.15 1x5d s GLY 102 Ca 0.00 0.70 -0.01 0.00 0.00 0.00 0.00 44.72 45.40 1x5d s GLY 102 CO 0.00 1.10 1.93 -2.13 0.00 0.00 0.00 173.10 174.00 1x5d n ARG 103 N -3.52 2.82 -4.50 2.90 0.63 -1.26 -4.50 116.66 109.23 1x5d n ARG 103 Ca 0.12 -3.56 -0.21 0.00 -0.92 0.00 0.00 57.85 53.29 1x5d n ARG 103 Cb 0.51 -2.27 -0.15 0.00 0.45 0.00 0.00 32.46 31.00 1x5d n ARG 103 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1x5d s THR 104 N -5.03 0.92 0.37 5.15 -4.23 -1.26 -4.86 115.64 106.71 1x5d s THR 104 Ca 0.55 -0.47 0.22 0.00 -1.18 0.00 0.00 61.69 60.81 1x5d s THR 104 Cb 0.46 -0.79 0.36 0.00 1.34 0.00 0.00 72.50 73.87 1x5d s THR 104 CO -0.27 0.27 1.58 0.08 -0.54 0.00 0.00 174.62 175.74 1x5d h ARG 105 N 6.08 0.01 0.02 3.99 0.11 -1.93 0.12 114.38 122.78 1x5d h ARG 105 Ca -0.33 -0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.77 1x5d h ARG 105 Cb 1.17 -0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.20 1x5d h ARG 105 CO 0.49 0.01 -0.48 1.03 0.10 0.00 0.00 179.97 181.12 1x5d h SER 106 N 0.01 -1.46 0.45 0.08 0.87 -1.95 0.17 113.55 111.71 1x5d h SER 106 Ca 0.85 0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 61.55 1x5d h SER 106 Cb 2.27 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 64.79 1x5d h SER 106 CO -0.74 -0.47 -0.22 0.44 -0.53 0.00 0.00 176.83 175.31 1x5d h ASP 107 N -0.61 -0.51 -0.95 6.23 5.19 -1.15 -1.23 116.42 123.39 1x5d h ASP 107 Ca 0.01 -0.07 0.29 0.00 -0.62 0.00 0.00 57.03 56.64 1x5d h ASP 107 Cb 0.65 0.13 -0.16 0.00 0.18 0.00 0.00 39.33 40.13 1x5d h ASP 107 CO -0.31 -0.23 0.28 0.40 -3.12 0.00 0.00 179.24 176.27 1x5d h ILE 108 N -0.80 0.17 -0.02 0.35 2.04 -1.13 0.11 117.51 118.23 1x5d h ILE 108 Ca -0.06 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1x5d h ILE 108 Cb 0.55 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1x5d h ILE 108 CO 0.10 0.02 -0.04 0.58 0.00 0.00 0.00 178.15 178.82 1x5d h VAL 109 N 0.13 1.43 -0.88 1.67 2.07 -0.55 -3.09 116.25 117.02 1x5d h VAL 109 Ca 0.64 -1.31 0.22 0.00 0.82 0.00 0.00 66.70 67.07 1x5d h VAL 109 Cb 1.43 2.26 -0.16 0.00 -1.52 0.00 0.00 31.29 33.30 1x5d h VAL 109 CO -0.75 0.35 0.01 -1.28 0.02 0.00 0.00 177.57 175.92 1x5d h SER 110 N -0.46 -0.43 0.90 0.57 0.87 0.45 -1.15 113.55 114.29 1x5d h SER 110 Ca 0.00 0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.76 1x5d h SER 110 Cb 0.59 0.42 0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1x5d h SER 110 CO 0.01 -0.26 -0.43 -0.09 -0.53 0.00 0.00 176.83 175.52 1x5d h ARG 111 N 0.06 -1.16 -1.45 2.24 9.65 -1.39 -2.61 114.38 119.71 1x5d h ARG 111 Ca 0.51 0.08 0.47 0.00 -1.10 0.00 0.00 59.98 59.94 1x5d h ARG 111 Cb 0.96 0.26 -0.11 0.00 -1.39 0.00 0.00 29.97 29.69 1x5d h ARG 111 CO -0.81 -0.78 0.97 0.00 2.80 0.00 0.00 179.97 182.16 1x5d n ALA 112 N -2.63 1.42 0.09 2.80 0.00 -0.49 0.69 120.51 122.39 1x5d n ALA 112 Ca -0.15 0.75 -0.12 0.00 0.00 0.00 0.00 53.44 53.92 1x5d n ALA 112 Cb 0.48 -1.01 -0.08 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.22 -1.31 0.00 3.38 -1.05 0.36 115.31 116.47 1x5d h LEU 113 Ca 0.84 -0.29 0.33 0.00 0.09 0.00 0.00 57.88 58.84 1x5d h LEU 113 Cb 2.91 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 43.60 1x5d h LEU 113 CO -0.31 0.23 0.71 -0.78 0.09 0.00 0.00 178.44 178.38 1x5d h ASP 114 N -0.73 0.40 0.13 -0.43 3.58 0.49 -0.10 116.42 119.76 1x5d h ASP 114 Ca -0.03 0.12 -0.30 0.00 0.42 0.00 0.00 57.03 57.25 1x5d h ASP 114 Cb 0.50 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.61 1x5d h ASP 114 CO 0.04 -0.03 -1.52 -0.07 -2.88 0.00 0.00 179.24 174.78 1x5d h LEU 115 N 0.30 0.42 -1.77 2.28 3.38 -1.41 -3.34 115.31 115.16 1x5d h LEU 115 Ca 0.69 -0.87 0.44 0.00 0.09 0.00 0.00 57.88 58.22 1x5d h LEU 115 Cb 1.85 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.37 1x5d h LEU 115 CO -0.39 1.67 1.02 0.15 0.09 0.00 0.00 178.44 180.98 1x5d h PHE 116 N -0.21 0.21 -0.05 1.13 3.57 0.16 0.47 116.94 122.22 1x5d h PHE 116 Ca -0.32 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.12 1x5d h PHE 116 Cb 1.84 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.53 1x5d h PHE 116 CO 0.12 -0.05 -0.23 1.03 -2.23 0.00 0.00 178.31 176.95 1x5d h SER 117 N 0.06 0.29 -0.82 0.41 0.87 -1.52 0.42 113.55 113.27 1x5d h SER 117 Ca 0.76 -0.65 0.19 0.00 -1.23 0.00 0.00 61.79 60.86 1x5d h SER 117 Cb 2.77 -0.08 -0.12 0.00 -0.44 0.00 0.00 62.40 64.53 1x5d h SER 117 CO -0.15 0.89 0.25 0.44 -0.53 0.00 0.00 176.83 177.73 1x5d h ASP 118 N -0.30 0.09 0.00 6.23 3.32 -0.19 -3.30 116.42 122.27 1x5d h ASP 118 Ca -0.01 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1x5d h ASP 118 Cb 0.88 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1x5d h ASP 118 CO 0.05 -0.06 -0.05 0.59 -1.72 0.00 0.00 179.24 178.05 1x5d n ASN 119 N -5.14 0.15 -4.80 6.45 3.02 -1.03 -4.98 115.26 108.93 1x5d n ASN 119 Ca 0.18 0.20 -0.33 0.00 -0.03 0.00 0.00 54.58 54.59 1x5d n ASN 119 Cb 0.56 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 39.20 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 -2.98 2.80 0.49 5.41 0.00 0.15 -5.02 121.76 122.60 1x5d s ALA 120 Ca -0.02 0.50 -0.22 0.00 0.00 0.00 0.00 51.96 52.22 1x5d s ALA 120 Cb 0.00 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 1x5d s ALA 120 CO 0.02 -0.60 1.15 -1.25 0.00 0.00 0.00 175.76 175.09 1x5d s PRO 121 N -3.70 3.61 0.96 0.00 0.04 -1.26 -3.83 135.00 130.82 1x5d s PRO 121 Ca 0.65 1.71 -0.12 0.00 0.04 0.00 0.00 61.00 63.29 1x5d s PRO 121 Cb -0.16 -2.26 0.17 0.00 0.04 0.00 0.00 34.50 32.28 1x5d s PRO 121 CO 0.29 -0.66 1.09 -1.25 0.04 0.00 0.00 177.00 176.52 1x5d s PRO 122 N -2.91 0.74 0.97 0.56 0.04 -1.26 -4.89 135.00 128.25 1x5d s PRO 122 Ca 0.67 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 1x5d s PRO 122 Cb -0.27 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.68 1x5d s PRO 122 CO 0.32 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.65 1x5d s PRO 123 N -4.95 0.70 -0.12 0.56 0.04 -1.26 -5.07 135.00 124.90 1x5d s PRO 123 Ca 0.65 0.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.30 1x5d s PRO 123 Cb -0.18 -1.76 0.03 0.00 0.04 0.00 0.00 34.50 32.63 1x5d s PRO 123 CO 0.57 -2.57 -0.02 -1.83 0.04 0.00 0.00 177.00 173.19 1x5d s GLU 124 N -4.95 0.97 -0.10 4.56 -1.05 -1.26 -5.12 118.70 111.75 1x5d s GLU 124 Ca 0.65 -0.17 -0.32 0.00 -0.15 0.00 0.00 54.97 54.97 1x5d s GLU 124 Cb -0.18 -1.49 0.12 0.00 -0.44 0.00 0.00 34.13 32.14 1x5d s GLU 124 CO 0.57 -0.37 1.13 -1.17 0.95 0.00 0.00 175.26 176.37 1x5d s LEU 125 N 1.83 -0.18 -0.04 1.83 2.96 -1.26 -5.17 118.68 118.65 1x5d s LEU 125 Ca 0.03 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1x5d s LEU 125 Cb -0.14 1.58 -0.03 0.00 0.50 0.00 0.00 46.19 48.10 1x5d s LEU 125 CO -0.07 -0.37 -0.04 -0.76 -1.32 0.00 0.00 176.35 173.79 1x5d s LEU 126 N -2.42 3.34 -0.80 -0.68 2.01 -1.26 -5.01 118.68 113.86 1x5d s LEU 126 Ca 0.09 -0.01 -0.29 0.00 0.01 0.00 0.00 54.13 53.94 1x5d s LEU 126 Cb -0.00 -1.81 -0.16 0.00 0.01 0.00 0.00 46.19 44.22 1x5d s LEU 126 CO -0.05 0.33 2.58 -0.62 1.01 0.00 0.00 176.35 179.60 1x5d n GLU 127 N 1.89 0.42 -3.53 1.70 1.02 -1.26 -4.87 120.64 116.01 1x5d n GLU 127 Ca -0.17 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.54 1x5d n GLU 127 Cb 0.53 -2.29 -0.09 0.00 -0.02 0.00 0.00 31.44 29.57 1x5d n GLU 127 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1x5d s SER 128 N 10.16 5.84 -0.02 1.62 0.01 -1.26 -5.07 113.70 124.98 1x5d s SER 128 Ca 1.20 -1.35 -0.06 0.00 1.31 0.00 0.00 55.95 57.05 1x5d s SER 128 Cb -0.81 -2.06 -0.05 0.00 0.21 0.00 0.00 66.02 63.31 1x5d s SER 128 CO 0.40 -0.55 0.24 -0.83 0.41 0.00 0.00 173.24 172.90 1x5d s GLY 129 N 2.18 2.23 0.30 3.44 0.00 -1.26 -5.07 107.32 109.13 1x5d s GLY 129 Ca 0.03 -0.60 -0.29 0.00 0.00 0.00 0.00 44.72 43.86 1x5d s GLY 129 CO 0.05 -0.40 1.24 2.56 0.00 0.00 0.00 173.10 176.54 1x5d s PRO 130 N -1.60 4.46 0.28 2.90 0.04 -1.26 -4.92 135.00 134.89 1x5d s PRO 130 Ca 0.25 2.06 0.02 0.00 0.04 0.00 0.00 61.00 63.36 1x5d s PRO 130 Cb -0.13 -3.13 0.65 0.00 0.04 0.00 0.00 34.50 31.93 1x5d s PRO 130 CO 0.14 -0.06 1.72 0.66 0.04 0.00 0.00 177.00 179.50 1x5d h SER 131 N 3.78 0.40 -3.73 6.66 4.64 -2.06 -3.41 113.55 119.83 1x5d h SER 131 Ca -0.48 0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 60.86 1x5d h SER 131 Cb 1.22 0.09 -0.24 0.00 -0.31 0.00 0.00 62.40 63.15 1x5d h SER 131 CO 0.67 0.08 -0.21 -0.55 -0.87 0.00 0.00 176.83 175.95 1x5d s SER 132 N -5.27 -0.49 0.00 4.97 0.15 -1.26 -5.35 113.70 106.45 1x5d s SER 132 Ca -0.12 0.91 0.30 0.00 0.70 0.00 0.00 55.95 57.74 1x5d s SER 132 Cb 0.24 0.89 1.48 0.00 -1.71 0.00 0.00 66.02 66.91 1x5d s SER 132 CO 0.78 -0.16 1.99 0.61 1.20 0.00 0.00 173.24 177.65