#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5t s SER 2 N 0.00 5.00 -0.95 1.61 1.04 -1.26 -5.04 113.70 114.10 1x5t s SER 2 Ca 0.00 -1.72 -0.08 0.00 0.48 0.00 0.00 55.95 54.63 1x5t s SER 2 Cb 0.00 -1.74 0.24 0.00 0.10 0.00 0.00 66.02 64.62 1x5t s SER 2 CO 0.00 -0.39 0.89 -0.44 0.98 0.00 0.00 173.24 174.28 1x5t s SER 3 N 1.42 6.72 0.25 7.02 0.01 -1.26 -4.92 113.70 122.93 1x5t s SER 3 Ca 0.03 -3.31 0.00 0.00 1.31 0.00 0.00 55.95 53.98 1x5t s SER 3 Cb -0.21 -2.12 0.00 0.00 0.21 0.00 0.00 66.02 63.90 1x5t s SER 3 CO -0.04 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1x5t n GLY 4 N 3.05 -4.71 3.39 3.44 0.00 -1.26 -4.44 105.19 104.66 1x5t n GLY 4 Ca 0.19 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 1x5t n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5t s SER 5 N -1.35 5.26 -0.09 1.61 0.15 -1.26 -4.46 113.70 113.56 1x5t s SER 5 Ca 0.00 -0.55 -0.05 0.00 0.70 0.00 0.00 55.95 56.05 1x5t s SER 5 Cb 0.00 -1.93 -0.02 0.00 -1.71 0.00 0.00 66.02 62.37 1x5t s SER 5 CO 0.00 -0.16 -0.09 -1.28 1.20 0.00 0.00 173.24 172.90 1x5t h SER 6 N 8.27 0.00 -3.02 5.45 0.87 -1.88 -3.51 113.55 119.73 1x5t h SER 6 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.23 1x5t h SER 6 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1x5t h SER 6 CO 0.60 0.48 0.00 0.61 -0.53 0.00 0.00 176.83 178.00 1x5t n GLY 7 N 1.71 -2.08 3.12 5.77 0.00 -1.26 -4.88 105.19 107.57 1x5t n GLY 7 Ca -0.04 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 1x5t n GLY 7 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1x5t s ILE 8 N -0.78 0.98 -0.16 -0.61 -4.36 0.71 -3.61 121.20 113.37 1x5t s ILE 8 Ca 0.00 -0.97 -0.06 0.00 -0.26 0.00 0.00 60.65 59.36 1x5t s ILE 8 Cb 0.00 -0.91 -0.04 0.00 1.25 0.00 0.00 42.46 42.76 1x5t s ILE 8 CO 0.00 -0.05 0.05 0.12 0.24 0.00 0.00 174.94 175.30 1x5t s PHE 9 N -0.89 3.25 -0.07 1.37 5.36 -0.83 -2.15 117.98 124.01 1x5t s PHE 9 Ca -0.00 0.10 0.03 0.00 -0.96 0.00 0.00 56.93 56.10 1x5t s PHE 9 Cb -0.08 -2.01 0.01 0.00 -0.34 0.00 0.00 43.02 40.60 1x5t s PHE 9 CO 0.01 0.24 -0.17 0.42 -1.46 0.00 0.00 175.22 174.26 1x5t s ILE 10 N 0.04 1.48 0.18 3.12 1.01 -0.71 -2.09 121.20 124.23 1x5t s ILE 10 Ca 0.05 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 60.07 1x5t s ILE 10 Cb -0.12 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 1x5t s ILE 10 CO 0.01 0.43 -0.14 -0.83 0.00 0.00 0.00 174.94 174.41 1x5t s GLY 11 N 0.40 1.31 -0.36 6.18 0.00 -1.18 -0.07 107.32 113.61 1x5t s GLY 11 Ca -0.13 -1.58 -0.00 0.00 0.00 0.00 0.00 44.72 43.01 1x5t s GLY 11 CO 0.05 -1.67 0.30 -2.01 0.00 0.00 0.00 173.10 169.76 1x5t n ASN 12 N -0.22 -2.05 -4.71 1.64 5.15 -0.88 -2.54 115.26 111.65 1x5t n ASN 12 Ca -0.09 -0.18 -0.36 0.00 -0.60 0.00 0.00 54.58 53.34 1x5t n ASN 12 Cb 0.60 -1.87 -0.08 0.00 -0.53 0.00 0.00 39.78 37.91 1x5t n ASN 12 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x5t s LEU 13 N -3.27 4.20 0.30 1.20 1.43 0.87 -4.00 118.68 119.41 1x5t s LEU 13 Ca 0.01 0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 53.19 1x5t s LEU 13 Cb -0.00 -2.26 -0.14 0.00 0.03 0.00 0.00 46.19 43.82 1x5t s LEU 13 CO 0.22 0.09 1.07 -0.67 0.23 0.00 0.00 176.35 177.29 1x5t n ASP 14 N 3.79 1.62 0.00 2.29 -0.08 -1.26 -4.68 116.55 118.23 1x5t n ASP 14 Ca -0.13 1.19 0.07 0.00 -1.51 0.00 0.00 54.79 54.40 1x5t n ASP 14 Cb 0.52 -1.33 0.31 0.00 2.34 0.00 0.00 41.12 42.96 1x5t n ASP 14 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1x5t n PRO 15 N 0.68 0.02 0.10 -0.67 -0.04 -1.26 -2.15 135.00 131.68 1x5t n PRO 15 Ca 0.08 0.24 0.10 0.00 -0.04 0.00 0.00 63.50 63.89 1x5t n PRO 15 Cb 0.33 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1x5t n PRO 15 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1x5t h GLU 16 N 0.00 0.00 -7.07 0.54 5.08 -1.96 -3.47 114.58 107.70 1x5t h GLU 16 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 1x5t h GLU 16 Cb 0.23 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.58 1x5t h GLU 16 CO 0.00 0.05 0.48 0.42 -1.00 0.00 0.00 179.01 178.96 1x5t s ILE 17 N -3.29 2.77 0.16 3.13 1.01 -0.92 -5.05 121.20 119.02 1x5t s ILE 17 Ca -0.00 0.51 0.09 0.00 0.00 0.00 0.00 60.65 61.25 1x5t s ILE 17 Cb 0.09 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.29 1x5t s ILE 17 CO 0.78 -0.07 -0.19 1.51 0.00 0.00 0.00 174.94 176.97 1x5t s ASP 18 N -1.49 2.73 0.34 3.58 -4.77 -1.26 -5.01 116.67 110.79 1x5t s ASP 18 Ca 0.73 -0.85 0.14 0.00 -3.30 0.00 0.00 52.55 49.27 1x5t s ASP 18 Cb -0.30 -0.16 1.10 0.00 -1.09 0.00 0.00 42.92 42.47 1x5t s ASP 18 CO 0.34 -0.01 1.63 -0.33 0.70 0.00 0.00 175.17 177.50 1x5t h GLU 19 N 3.31 0.20 0.60 2.11 3.07 -1.96 -0.11 114.58 121.80 1x5t h GLU 19 Ca -0.43 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.40 1x5t h GLU 19 Cb 1.20 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 1x5t h GLU 19 CO 0.50 0.14 -0.48 -0.22 -1.40 0.00 0.00 179.01 177.54 1x5t h LYS 20 N 0.21 -1.01 -0.01 2.33 3.64 -1.96 -2.21 116.57 117.56 1x5t h LYS 20 Ca 0.74 0.07 0.01 0.00 -1.27 0.00 0.00 60.65 60.20 1x5t h LYS 20 Cb 1.74 0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 33.76 1x5t h LYS 20 CO -0.67 -0.67 -0.32 1.25 -2.27 0.00 0.00 179.45 176.76 1x5t h LEU 21 N -1.04 -1.01 -0.87 5.20 5.85 -1.44 -2.08 115.31 119.92 1x5t h LEU 21 Ca -0.08 0.11 0.16 0.00 0.84 0.00 0.00 57.88 58.91 1x5t h LEU 21 Cb 0.87 0.38 -0.15 0.00 0.37 0.00 0.00 40.66 42.13 1x5t h LEU 21 CO 0.01 -0.31 -0.27 0.18 -0.34 0.00 0.00 178.44 177.71 1x5t n LEU 22 N -4.28 -0.42 -0.07 2.25 4.77 -0.86 -0.02 117.00 118.37 1x5t n LEU 22 Ca -0.04 1.50 -0.12 0.00 -0.03 0.00 0.00 56.01 57.31 1x5t n LEU 22 Cb 0.24 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 1x5t n LEU 22 CO 0.07 -1.40 0.55 0.22 -1.33 0.00 0.00 177.39 175.50 1x5t h TYR 23 N 0.00 -1.41 0.49 -1.77 5.03 -0.73 -1.50 116.97 117.08 1x5t h TYR 23 Ca 0.37 0.06 -0.02 0.00 2.58 0.00 0.00 58.73 61.72 1x5t h TYR 23 Cb 0.58 0.65 0.00 0.00 1.55 0.00 0.00 36.73 39.52 1x5t h TYR 23 CO -0.71 -0.49 -0.23 -0.44 -1.32 0.00 0.00 178.16 174.97 1x5t h ASP 24 N -0.44 -0.55 -1.01 -2.11 3.32 -0.24 0.71 116.42 116.10 1x5t h ASP 24 Ca 0.09 -0.06 0.39 0.00 0.02 0.00 0.00 57.03 57.47 1x5t h ASP 24 Cb 0.62 0.14 -0.14 0.00 0.22 0.00 0.00 39.33 40.17 1x5t h ASP 24 CO -0.51 -0.27 0.59 0.41 -1.72 0.00 0.00 179.24 177.75 1x5t n THR 25 N -5.30 -0.31 -0.07 0.35 -1.04 0.97 0.12 114.28 109.00 1x5t n THR 25 Ca -0.11 1.71 -0.10 0.00 -2.04 0.00 0.00 64.05 63.51 1x5t n THR 25 Cb 0.30 -2.79 -0.15 0.00 -1.82 0.00 0.00 70.33 65.88 1x5t n THR 25 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1x5t n PHE 26 N -4.79 0.42 -0.31 -1.42 3.01 -0.59 -4.33 117.46 109.45 1x5t n PHE 26 Ca 0.34 0.14 0.15 0.00 1.01 0.00 0.00 57.45 59.10 1x5t n PHE 26 Cb 1.23 -1.08 0.33 0.00 -0.01 0.00 0.00 39.48 39.95 1x5t n PHE 26 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5t h SER 27 N 0.00 0.27 -0.93 4.37 0.87 0.74 -1.14 113.55 117.74 1x5t h SER 27 Ca -0.45 0.17 0.13 0.00 -1.23 0.00 0.00 61.79 60.41 1x5t h SER 27 Cb 2.14 0.17 -0.14 0.00 -0.44 0.00 0.00 62.40 64.13 1x5t h SER 27 CO 0.04 -0.06 -0.45 0.00 -0.53 0.00 0.00 176.83 175.84 1x5t h ALA 28 N 1.75 -0.10 -0.18 6.23 0.00 -1.60 -2.59 119.26 122.77 1x5t h ALA 28 Ca 0.59 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.71 1x5t h ALA 28 Cb 1.17 1.09 0.00 0.00 0.00 0.00 0.00 17.79 20.06 1x5t h ALA 28 CO -0.57 -0.74 0.00 1.19 0.00 0.00 0.00 179.25 179.12 1x5t n PHE 29 N -5.40 0.00 -3.85 0.00 3.72 -0.43 -4.95 117.46 106.54 1x5t n PHE 29 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1x5t n PHE 29 Cb 0.36 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 1x5t n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x5t n GLY 30 N -0.97 4.34 3.87 1.37 0.00 -0.98 -4.95 105.19 107.87 1x5t n GLY 30 Ca 0.00 -1.77 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 1x5t n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x5t s VAL 31 N -1.55 5.17 -0.07 1.61 1.01 -1.26 -4.12 120.40 121.18 1x5t s VAL 31 Ca 0.00 0.43 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 1x5t s VAL 31 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1x5t s VAL 31 CO 0.00 0.38 0.28 -0.63 0.00 0.00 0.00 175.10 175.13 1x5t s ILE 32 N -1.29 5.27 0.02 2.22 1.01 -1.26 -1.23 121.20 125.93 1x5t s ILE 32 Ca 0.29 0.53 -0.25 0.00 0.00 0.00 0.00 60.65 61.22 1x5t s ILE 32 Cb -0.14 -3.57 -0.18 0.00 0.01 0.00 0.00 42.46 38.59 1x5t s ILE 32 CO 0.16 0.58 1.39 -0.07 0.00 0.00 0.00 174.94 176.99 1x5t h LEU 33 N 5.04 -0.14 -7.45 2.97 3.38 -1.70 -3.45 115.31 113.97 1x5t h LEU 33 Ca -0.52 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.11 1x5t h LEU 33 Cb 1.22 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.82 1x5t h LEU 33 CO 0.62 0.18 -0.19 0.00 0.09 0.00 0.00 178.44 179.13 1x5t s GLN 34 N -4.94 0.81 0.14 1.13 -2.07 -1.26 -5.06 119.66 108.40 1x5t s GLN 34 Ca -0.15 -0.30 -0.23 0.00 -1.82 0.00 0.00 55.36 52.87 1x5t s GLN 34 Cb 0.03 0.36 -0.13 0.00 -1.09 0.00 0.00 33.01 32.17 1x5t s GLN 34 CO 0.63 -0.25 0.44 2.41 -1.32 0.00 0.00 175.29 177.20 1x5t n THR 35 N 0.83 1.38 -1.95 3.63 -1.04 -1.26 -4.74 114.28 111.13 1x5t n THR 35 Ca -0.20 -0.35 -0.34 0.00 -2.04 0.00 0.00 64.05 61.13 1x5t n THR 35 Cb 0.58 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.12 1x5t n THR 35 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1x5t s PRO 36 N -0.69 3.02 -0.23 -2.82 0.04 -1.26 -4.97 135.00 128.09 1x5t s PRO 36 Ca 0.51 1.48 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 1x5t s PRO 36 Cb -0.74 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 31.83 1x5t s PRO 36 CO 0.43 -1.09 -0.06 0.21 0.04 0.00 0.00 177.00 176.53 1x5t s LYS 37 N -3.78 3.11 -0.12 4.56 2.36 -0.87 -4.95 119.74 120.05 1x5t s LYS 37 Ca 0.69 -0.80 -0.11 0.00 -2.55 0.00 0.00 55.97 53.21 1x5t s LYS 37 Cb -0.22 -2.97 -0.05 0.00 -1.05 0.00 0.00 37.83 33.55 1x5t s LYS 37 CO 0.36 -0.29 0.24 0.42 1.55 0.00 0.00 175.35 177.63 1x5t s ILE 38 N 1.40 5.34 -0.51 5.43 1.01 -1.26 -1.25 121.20 131.36 1x5t s ILE 38 Ca 0.03 0.44 -0.28 0.00 0.00 0.00 0.00 60.65 60.84 1x5t s ILE 38 Cb -0.15 -3.54 0.01 0.00 0.01 0.00 0.00 42.46 38.79 1x5t s ILE 38 CO -0.05 0.52 1.40 -0.04 0.00 0.00 0.00 174.94 176.77 1x5t s MET 39 N -0.43 3.42 -0.12 2.79 -1.94 -0.97 -5.00 119.30 117.05 1x5t s MET 39 Ca 0.16 0.62 -0.07 0.00 -1.71 0.00 0.00 55.69 54.70 1x5t s MET 39 Cb -0.13 -4.08 -0.04 0.00 2.01 0.00 0.00 34.83 32.59 1x5t s MET 39 CO 0.05 -1.78 0.13 1.03 -0.01 0.00 0.00 175.02 174.44 1x5t s ARG 40 N 5.26 3.40 -0.04 2.03 0.52 -1.26 -0.01 118.95 128.85 1x5t s ARG 40 Ca 0.55 -0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 55.31 1x5t s ARG 40 Cb -0.11 -3.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.14 1x5t s ARG 40 CO 0.28 0.77 1.55 0.34 0.02 0.00 0.00 175.30 178.27 1x5t s ASP 41 N -1.01 6.73 0.00 0.23 -1.08 -1.14 -4.77 116.67 115.62 1x5t s ASP 41 Ca 0.15 2.17 0.13 0.00 -0.52 0.00 0.00 52.55 54.48 1x5t s ASP 41 Cb -0.12 -2.54 0.78 0.00 -1.46 0.00 0.00 42.92 39.57 1x5t s ASP 41 CO 0.04 -0.86 1.20 -0.81 0.52 0.00 0.00 175.17 175.26 1x5t n PRO 42 N 6.56 0.49 -0.08 4.34 -0.04 -1.26 0.14 135.00 145.15 1x5t n PRO 42 Ca 0.16 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.53 1x5t n PRO 42 Cb 0.43 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 1x5t n PRO 42 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1x5t n ASP 43 N -0.92 1.83 0.00 3.54 2.03 -1.26 -4.74 116.55 117.03 1x5t n ASP 43 Ca 0.10 0.57 0.00 0.00 0.52 0.00 0.00 54.79 55.98 1x5t n ASP 43 Cb 0.04 -0.89 0.00 0.00 -0.72 0.00 0.00 41.12 39.56 1x5t n ASP 43 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1x5t n THR 44 N -4.56 0.35 0.00 5.18 5.66 -1.20 -4.99 114.28 114.71 1x5t n THR 44 Ca -0.14 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.42 1x5t n THR 44 Cb 0.38 0.99 0.00 0.00 -1.55 0.00 0.00 70.33 70.15 1x5t n THR 44 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x5t n GLY 45 N -0.17 2.97 3.42 1.09 0.00 0.38 -4.93 105.19 107.95 1x5t n GLY 45 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 1x5t n GLY 45 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x5t n ASN 46 N 0.13 0.85 -3.66 1.61 2.85 -1.26 -3.35 115.26 112.44 1x5t n ASN 46 Ca 0.00 0.29 -0.51 0.00 -0.11 0.00 0.00 54.58 54.25 1x5t n ASN 46 Cb 0.00 -1.02 -0.07 0.00 1.24 0.00 0.00 39.78 39.93 1x5t n ASN 46 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1x5t n SER 47 N 10.04 0.67 0.18 1.20 2.88 -1.26 -2.90 113.62 124.43 1x5t n SER 47 Ca 0.57 0.92 -0.17 0.00 -1.33 0.00 0.00 58.87 58.86 1x5t n SER 47 Cb 0.08 -0.70 -0.10 0.00 -0.75 0.00 0.00 64.21 62.75 1x5t n SER 47 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1x5t h LYS 48 N 3.46 -0.81 0.00 -1.46 1.79 -0.70 -3.45 116.57 115.39 1x5t h LYS 48 Ca -0.36 0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1x5t h LYS 48 Cb 1.08 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.92 1x5t h LYS 48 CO 0.69 -0.54 0.00 0.41 -1.08 0.00 0.00 179.45 178.93 1x5t n GLY 49 N -1.51 0.85 3.65 3.86 0.00 -1.26 -5.01 105.19 105.78 1x5t n GLY 49 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1x5t n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x5t s TYR 50 N 0.00 3.03 0.24 1.61 1.13 -1.26 -0.09 117.35 122.00 1x5t s TYR 50 Ca 0.00 0.06 0.02 0.00 -1.41 0.00 0.00 57.07 55.74 1x5t s TYR 50 Cb 0.00 -1.67 -0.05 0.00 -1.10 0.00 0.00 41.96 39.14 1x5t s TYR 50 CO 0.00 0.43 0.05 0.00 -2.51 0.00 0.00 175.55 173.52 1x5t s ALA 51 N -1.02 1.70 -0.08 9.51 0.00 0.90 -2.29 121.76 130.49 1x5t s ALA 51 Ca 0.18 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.37 1x5t s ALA 51 Cb -0.11 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.79 1x5t s ALA 51 CO 0.08 -0.37 -0.15 -0.06 0.00 0.00 0.00 175.76 175.27 1x5t s PHE 52 N -3.62 1.71 -0.01 0.00 0.40 -0.38 -1.74 117.98 114.34 1x5t s PHE 52 Ca 0.32 -0.67 0.02 0.00 -0.60 0.00 0.00 56.93 56.00 1x5t s PHE 52 Cb 0.07 -1.22 -0.00 0.00 0.51 0.00 0.00 43.02 42.37 1x5t s PHE 52 CO 0.10 -0.32 -0.07 0.42 0.70 0.00 0.00 175.22 176.05 1x5t s ILE 53 N 0.65 0.56 -0.10 0.64 1.01 -0.92 -2.05 121.20 120.99 1x5t s ILE 53 Ca -0.14 -0.30 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1x5t s ILE 53 Cb -0.16 -0.47 -0.01 0.00 0.01 0.00 0.00 42.46 41.83 1x5t s ILE 53 CO 0.04 0.16 -0.20 0.20 0.00 0.00 0.00 174.94 175.14 1x5t s ASN 54 N -0.14 3.46 0.51 3.58 -0.87 -1.26 -0.21 114.94 120.01 1x5t s ASN 54 Ca 0.02 -0.45 0.01 0.00 -1.57 0.00 0.00 52.86 50.87 1x5t s ASN 54 Cb -0.03 -1.33 0.02 0.00 -0.02 0.00 0.00 41.25 39.89 1x5t s ASN 54 CO -0.00 0.19 0.73 -0.36 -2.57 0.00 0.00 177.10 175.09 1x5t s PHE 55 N 0.17 3.02 -0.04 2.20 0.40 -1.26 -2.39 117.98 120.08 1x5t s PHE 55 Ca -0.11 0.11 -0.24 0.00 -0.60 0.00 0.00 56.93 56.09 1x5t s PHE 55 Cb -0.16 -2.57 -0.22 0.00 0.51 0.00 0.00 43.02 40.58 1x5t s PHE 55 CO 0.06 -0.65 1.07 0.00 0.70 0.00 0.00 175.22 176.40 1x5t h ALA 56 N 0.20 0.05 -1.14 5.36 0.00 -1.47 -3.39 119.26 118.87 1x5t h ALA 56 Ca -0.44 -0.44 -0.63 0.00 0.00 0.00 0.00 54.91 53.40 1x5t h ALA 56 Cb 1.28 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.94 1x5t h ALA 56 CO 0.55 0.07 -0.56 0.45 0.00 0.00 0.00 179.25 179.76 1x5t s SER 57 N -6.27 3.76 0.04 0.00 0.15 -1.26 -4.19 113.70 105.93 1x5t s SER 57 Ca -0.16 -1.52 -0.16 0.00 0.70 0.00 0.00 55.95 54.82 1x5t s SER 57 Cb 0.01 0.09 -0.29 0.00 -1.71 0.00 0.00 66.02 64.13 1x5t s SER 57 CO 0.74 -0.67 1.08 -0.26 1.20 0.00 0.00 173.24 175.33 1x5t h PHE 58 N 1.63 0.94 -0.96 3.44 -1.00 -1.87 -3.29 116.94 115.83 1x5t h PHE 58 Ca -0.43 -0.59 0.24 0.00 2.81 0.00 0.00 57.97 59.99 1x5t h PHE 58 Cb 1.27 -0.07 -0.12 0.00 3.61 0.00 0.00 35.95 40.64 1x5t h PHE 58 CO 1.12 1.44 0.52 0.22 -1.61 0.00 0.00 178.31 179.99 1x5t h ASP 59 N 0.18 0.54 -0.19 2.17 3.58 -2.00 0.35 116.42 121.05 1x5t h ASP 59 Ca -0.18 0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1x5t h ASP 59 Cb 1.84 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.95 1x5t h ASP 59 CO 0.22 0.06 0.10 0.00 -2.88 0.00 0.00 179.24 176.74 1x5t h ALA 60 N 1.72 0.24 -0.83 -0.78 0.00 -1.93 -2.79 119.26 114.90 1x5t h ALA 60 Ca 0.61 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.56 1x5t h ALA 60 Cb 1.17 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 1x5t h ALA 60 CO -0.50 -0.21 0.47 0.66 0.00 0.00 0.00 179.25 179.67 1x5t h SER 61 N 0.19 0.66 -0.16 0.00 4.64 -1.03 -2.06 113.55 115.79 1x5t h SER 61 Ca 0.07 0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.48 1x5t h SER 61 Cb 0.09 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 1x5t h SER 61 CO -0.01 0.36 -0.08 -0.78 -0.87 0.00 0.00 176.83 175.45 1x5t h ASP 62 N 0.77 -0.27 -0.57 4.97 3.58 -1.13 -0.50 116.42 123.26 1x5t h ASP 62 Ca 0.41 0.07 0.11 0.00 0.42 0.00 0.00 57.03 58.04 1x5t h ASP 62 Cb 0.42 0.15 -0.11 0.00 1.72 0.00 0.00 39.33 41.51 1x5t h ASP 62 CO -0.27 -0.11 -0.14 0.00 -2.88 0.00 0.00 179.24 175.84 1x5t h ALA 63 N 1.07 0.38 0.02 -0.78 0.00 -1.17 0.80 119.26 119.58 1x5t h ALA 63 Ca 0.09 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1x5t h ALA 63 Cb 0.20 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1x5t h ALA 63 CO -0.21 -0.43 -0.01 0.00 0.00 0.00 0.00 179.25 178.60 1x5t h ALA 64 N 1.57 -0.75 -1.18 0.00 0.00 -1.27 -0.83 119.26 116.80 1x5t h ALA 64 Ca 0.27 -0.01 0.34 0.00 0.00 0.00 0.00 54.91 55.52 1x5t h ALA 64 Cb 0.41 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1x5t h ALA 64 CO -0.58 -0.75 1.20 0.82 0.00 0.00 0.00 179.25 179.94 1x5t h ILE 65 N -0.04 0.04 0.01 0.00 2.04 -1.01 1.20 117.51 119.74 1x5t h ILE 65 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1x5t h ILE 65 Cb 0.02 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1x5t h ILE 65 CO 0.00 0.00 -0.00 -0.08 0.00 0.00 0.00 178.15 178.07 1x5t h GLU 66 N 0.00 -0.01 0.00 2.37 4.57 -0.70 -3.34 114.58 117.48 1x5t h GLU 66 Ca 0.56 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.74 1x5t h GLU 66 Cb 2.95 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.54 1x5t h GLU 66 CO -0.01 0.24 -0.65 0.00 -1.18 0.00 0.00 179.01 177.42 1x5t n ALA 67 N -2.74 0.57 -0.03 2.92 0.00 0.75 -4.23 120.51 117.75 1x5t n ALA 67 Ca -0.03 -0.53 0.21 0.00 0.00 0.00 0.00 53.44 53.09 1x5t n ALA 67 Cb 0.12 0.02 0.46 0.00 0.00 0.00 0.00 19.45 20.05 1x5t n ALA 67 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1x5t h MET 68 N -0.99 0.00 -5.62 0.00 2.86 0.11 -3.26 114.93 108.04 1x5t h MET 68 Ca 0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 1x5t h MET 68 Cb 0.65 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.26 1x5t h MET 68 CO 0.00 0.00 0.79 1.21 1.06 0.00 0.00 176.91 179.97 1x5t s ASN 69 N -3.81 5.02 0.00 1.22 3.84 -0.84 -2.14 114.94 118.23 1x5t s ASN 69 Ca -0.03 -0.94 0.00 0.00 0.21 0.00 0.00 52.86 52.10 1x5t s ASN 69 Cb 0.12 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 1x5t s ASN 69 CO 0.39 -2.93 0.00 0.61 -2.79 0.00 0.00 177.10 172.38 1x5t n GLY 70 N 6.53 1.96 3.67 1.21 0.00 -0.84 -4.89 105.19 112.83 1x5t n GLY 70 Ca 0.42 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.84 1x5t n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x5t n GLN 71 N -0.64 0.60 -2.07 1.61 6.02 -0.91 -4.54 117.38 117.44 1x5t n GLN 71 Ca 0.00 0.22 -0.38 0.00 -0.01 0.00 0.00 57.00 56.82 1x5t n GLN 71 Cb 0.00 -1.81 -0.03 0.00 1.02 0.00 0.00 30.24 29.42 1x5t n GLN 71 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1x5t s TYR 72 N 2.30 1.70 0.76 1.08 5.04 -1.26 -2.83 117.35 124.13 1x5t s TYR 72 Ca 0.97 0.73 -0.07 0.00 -2.44 0.00 0.00 57.07 56.27 1x5t s TYR 72 Cb -1.22 -4.12 0.11 0.00 0.35 0.00 0.00 41.96 37.07 1x5t s TYR 72 CO 0.66 -2.28 1.06 -1.17 -1.34 0.00 0.00 175.55 172.49 1x5t s LEU 73 N 8.91 2.86 -0.68 6.97 2.96 -0.66 -4.81 118.68 134.23 1x5t s LEU 73 Ca 0.65 0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 54.66 1x5t s LEU 73 Cb -0.12 -2.62 -0.23 0.00 0.50 0.00 0.00 46.19 43.72 1x5t s LEU 73 CO 0.20 -1.89 1.51 0.00 -1.32 0.00 0.00 176.35 174.84 1x5t n ASN 75 N 4.07 -0.15 -3.15 0.00 4.13 -1.26 -4.57 115.26 114.33 1x5t n ASN 75 Ca 0.46 -1.21 0.05 0.00 1.68 0.00 0.00 54.58 55.56 1x5t n ASN 75 Cb 0.09 -1.89 -0.01 0.00 -1.54 0.00 0.00 39.78 36.43 1x5t n ASN 75 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1x5t s ARG 76 N -7.20 0.27 -0.56 3.52 0.52 0.16 -4.92 118.95 110.73 1x5t s ARG 76 Ca 0.24 0.40 -0.27 0.00 -0.52 0.00 0.00 55.73 55.58 1x5t s ARG 76 Cb -0.14 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.52 1x5t s ARG 76 CO 0.99 -0.38 1.84 -1.25 0.02 0.00 0.00 175.30 176.51 1x5t s PRO 77 N 2.93 2.76 0.75 3.54 0.04 -1.26 -1.66 135.00 142.10 1x5t s PRO 77 Ca 0.11 0.74 -0.11 0.00 0.04 0.00 0.00 61.00 61.78 1x5t s PRO 77 Cb -0.09 -4.35 0.04 0.00 0.04 0.00 0.00 34.50 30.15 1x5t s PRO 77 CO -0.17 -2.57 1.08 0.96 0.04 0.00 0.00 177.00 176.33 1x5t s ILE 78 N 8.65 3.54 -0.14 0.56 -4.36 -1.13 -4.75 121.20 123.57 1x5t s ILE 78 Ca 0.69 0.50 -0.04 0.00 -0.26 0.00 0.00 60.65 61.54 1x5t s ILE 78 Cb -0.14 -3.23 0.05 0.00 1.25 0.00 0.00 42.46 40.39 1x5t s ILE 78 CO 0.23 -0.65 0.06 0.42 0.24 0.00 0.00 174.94 175.24 1x5t s THR 79 N -3.09 0.08 -0.21 8.37 -4.23 -1.05 -2.00 115.64 113.51 1x5t s THR 79 Ca 0.59 -0.08 -0.15 0.00 -1.18 0.00 0.00 61.69 60.87 1x5t s THR 79 Cb -0.14 -0.57 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 1x5t s THR 79 CO 0.55 -0.11 0.36 -0.69 -0.54 0.00 0.00 174.62 174.19 1x5t s VAL 80 N 2.07 5.22 -0.11 2.29 1.01 -1.26 -3.12 120.40 126.50 1x5t s VAL 80 Ca 0.02 0.63 -0.07 0.00 0.00 0.00 0.00 61.98 62.56 1x5t s VAL 80 Cb -0.15 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.58 1x5t s VAL 80 CO -0.07 0.26 0.26 -0.44 0.00 0.00 0.00 175.10 175.11 1x5t s SER 81 N 1.09 -0.29 -0.50 3.32 0.01 -0.89 -4.67 113.70 111.77 1x5t s SER 81 Ca 0.17 0.55 -0.38 0.00 1.31 0.00 0.00 55.95 57.61 1x5t s SER 81 Cb -0.15 0.48 -0.16 0.00 0.21 0.00 0.00 66.02 66.40 1x5t s SER 81 CO 0.08 -0.14 2.25 -1.22 0.41 0.00 0.00 173.24 174.61 1x5t n TYR 82 N 3.83 1.28 -1.60 2.43 4.01 -1.26 -1.96 117.16 123.89 1x5t n TYR 82 Ca -0.21 0.47 -0.45 0.00 -0.16 0.00 0.00 57.90 57.55 1x5t n TYR 82 Cb 0.55 -2.42 -0.04 0.00 -0.31 0.00 0.00 39.34 37.12 1x5t n TYR 82 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x5t n ALA 83 N 9.35 1.52 -0.94 -0.72 0.00 -1.24 -4.83 120.51 123.64 1x5t n ALA 83 Ca 0.50 -0.06 -0.33 0.00 0.00 0.00 0.00 53.44 53.55 1x5t n ALA 83 Cb 0.11 -2.76 0.12 0.00 0.00 0.00 0.00 19.45 16.93 1x5t n ALA 83 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1x5t n PHE 84 N 9.91 -0.12 -3.45 0.00 -1.74 -1.26 -4.93 117.46 115.87 1x5t n PHE 84 Ca 0.29 0.33 0.01 0.00 -0.56 0.00 0.00 57.45 57.52 1x5t n PHE 84 Cb 0.39 -1.94 -0.05 0.00 1.52 0.00 0.00 39.48 39.40 1x5t n PHE 84 CO 0.00 0.00 0.00 0.21 -0.56 0.00 0.00 176.76 176.41 1x5t s LYS 85 N -3.82 0.26 -0.84 3.97 2.47 -1.26 -5.11 119.74 115.42 1x5t s LYS 85 Ca 0.65 0.58 -0.21 0.00 -1.56 0.00 0.00 55.97 55.42 1x5t s LYS 85 Cb -0.26 0.27 0.09 0.00 -1.46 0.00 0.00 37.83 36.47 1x5t s LYS 85 CO 0.59 -0.08 1.13 -1.59 0.16 0.00 0.00 175.35 175.57 1x5t s LYS 86 N 2.02 3.40 -0.12 4.03 -2.85 -1.26 -5.01 119.74 119.96 1x5t s LYS 86 Ca -0.04 -1.25 -0.13 0.00 -1.00 0.00 0.00 55.97 53.55 1x5t s LYS 86 Cb -0.04 -4.71 -0.05 0.00 -2.06 0.00 0.00 37.83 30.97 1x5t s LYS 86 CO -0.16 -1.88 0.31 0.16 0.10 0.00 0.00 175.35 173.88 1x5t s ASP 87 N 3.87 6.53 -0.08 0.03 -4.77 -1.26 -5.08 116.67 115.91 1x5t s ASP 87 Ca 0.31 0.63 -0.08 0.00 -3.30 0.00 0.00 52.55 50.11 1x5t s ASP 87 Cb -0.08 -2.19 0.02 0.00 -1.09 0.00 0.00 42.92 39.58 1x5t s ASP 87 CO -0.01 0.18 0.22 -0.55 0.70 0.00 0.00 175.17 175.71 1x5t s SER 88 N -0.06 -0.23 0.18 2.11 0.15 -1.26 -5.05 113.70 109.53 1x5t s SER 88 Ca 0.19 0.44 -0.13 0.00 0.70 0.00 0.00 55.95 57.14 1x5t s SER 88 Cb -0.14 0.45 0.16 0.00 -1.71 0.00 0.00 66.02 64.78 1x5t s SER 88 CO 0.06 -0.08 1.75 0.50 1.20 0.00 0.00 173.24 176.67 1x5t h LYS 89 N 5.79 0.33 0.00 5.44 1.63 -2.07 -3.46 116.57 124.23 1x5t h LYS 89 Ca -0.26 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.52 1x5t h LYS 89 Cb 1.19 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.75 1x5t h LYS 89 CO 0.37 0.22 0.00 0.41 -3.45 0.00 0.00 179.45 177.00 1x5t n GLY 90 N -1.26 2.03 3.41 5.01 0.00 -1.26 -4.78 105.19 108.34 1x5t n GLY 90 Ca 0.05 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1x5t n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x5t s SER 91 N -4.00 3.43 -0.01 1.61 1.04 -1.26 -5.14 113.70 109.37 1x5t s SER 91 Ca 0.00 -0.72 -0.03 0.00 0.48 0.00 0.00 55.95 55.68 1x5t s SER 91 Cb 0.00 -0.28 -0.00 0.00 0.10 0.00 0.00 66.02 65.84 1x5t s SER 91 CO 0.00 0.18 0.05 -0.83 0.98 0.00 0.00 173.24 173.62 1x5t s GLY 92 N -2.11 0.05 0.82 7.32 0.00 -1.26 -5.16 107.32 106.98 1x5t s GLY 92 Ca 0.15 -0.09 -0.11 0.00 0.00 0.00 0.00 44.72 44.67 1x5t s GLY 92 CO 0.07 -0.15 1.09 2.56 0.00 0.00 0.00 173.10 176.67 1x5t s PRO 93 N -0.65 1.87 -1.13 2.90 0.04 -1.26 -3.71 135.00 133.06 1x5t s PRO 93 Ca -0.07 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 61.99 1x5t s PRO 93 Cb -0.04 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.64 1x5t s PRO 93 CO 0.00 -1.87 0.02 -1.13 0.04 0.00 0.00 177.00 174.06 1x5t n SER 94 N -3.66 0.60 0.17 6.66 3.41 -1.26 -4.79 113.62 114.74 1x5t n SER 94 Ca 0.08 -0.92 -0.14 0.00 -0.26 0.00 0.00 58.87 57.63 1x5t n SER 94 Cb 0.54 -1.15 -0.07 0.00 -0.26 0.00 0.00 64.21 63.27 1x5t n SER 94 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1x5t h SER 95 N -1.00 -0.65 0.00 4.04 0.87 -2.03 -3.57 113.55 111.21 1x5t h SER 95 Ca -0.47 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1x5t h SER 95 Cb 1.01 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 1x5t h SER 95 CO 0.52 -0.35 0.00 0.61 -0.53 0.00 0.00 176.83 177.08