#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh0 s SER 2 N 0.00 4.55 0.11 1.61 0.01 -1.26 -5.08 113.70 113.65 1wh0 s SER 2 Ca 0.00 -1.85 -0.25 0.00 1.31 0.00 0.00 55.95 55.16 1wh0 s SER 2 Cb 0.00 -1.51 0.08 0.00 0.21 0.00 0.00 66.02 64.80 1wh0 s SER 2 CO 0.00 -0.32 0.71 -0.55 0.41 0.00 0.00 173.24 173.49 1wh0 s SER 3 N 1.05 -0.47 0.00 2.44 0.15 -1.26 -5.16 113.70 110.45 1wh0 s SER 3 Ca 0.05 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1wh0 s SER 3 Cb -0.19 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1wh0 s SER 3 CO -0.09 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.09 1wh0 n GLY 4 N -0.34 2.62 3.44 9.45 0.00 -1.26 -5.09 105.19 114.00 1wh0 n GLY 4 Ca -0.13 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 1wh0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh0 s SER 5 N 0.00 3.88 -0.12 1.61 0.15 -1.26 -5.02 113.70 112.94 1wh0 s SER 5 Ca 0.00 -0.25 -0.02 0.00 0.70 0.00 0.00 55.95 56.38 1wh0 s SER 5 Cb 0.00 -0.87 -0.07 0.00 -1.71 0.00 0.00 66.02 63.37 1wh0 s SER 5 CO 0.00 0.32 -0.12 -0.24 1.20 0.00 0.00 173.24 174.40 1wh0 n SER 6 N 2.47 2.35 0.00 5.45 2.88 -1.26 -5.07 113.62 120.43 1wh0 n SER 6 Ca -0.17 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1wh0 n SER 6 Cb 0.52 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1wh0 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh0 n GLY 7 N 2.69 0.62 3.41 0.46 0.00 -1.26 -5.18 105.19 105.92 1wh0 n GLY 7 Ca -0.22 0.34 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1wh0 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wh0 s VAL 8 N 0.00 2.23 -1.02 1.61 -7.23 -1.26 -5.08 120.40 109.65 1wh0 s VAL 8 Ca 0.00 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.03 1wh0 s VAL 8 Cb 0.00 -2.07 0.26 0.00 0.56 0.00 0.00 36.38 35.12 1wh0 s VAL 8 CO 0.00 -0.20 0.99 1.51 -0.31 0.00 0.00 175.10 177.10 1wh0 s ASP 9 N -2.76 7.06 0.32 4.85 -4.77 -1.26 -5.04 116.67 115.07 1wh0 s ASP 9 Ca 0.20 -3.37 -0.20 0.00 -3.30 0.00 0.00 52.55 45.88 1wh0 s ASP 9 Cb -0.07 -2.18 -0.14 0.00 -1.09 0.00 0.00 42.92 39.44 1wh0 s ASP 9 CO 0.10 -0.35 0.15 -0.62 0.70 0.00 0.00 175.17 175.15 1wh0 n GLU 10 N 3.00 0.00 0.00 2.11 -0.58 -1.26 -4.74 120.64 119.17 1wh0 n GLU 10 Ca 0.21 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 57.00 1wh0 n GLU 10 Cb 0.41 -0.89 0.29 0.00 -0.57 0.00 0.00 31.44 30.68 1wh0 n GLU 10 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1wh0 n PRO 11 N 1.13 0.49 -0.30 3.49 -0.04 -1.26 -3.95 135.00 134.55 1wh0 n PRO 11 Ca 0.11 0.00 0.30 0.00 -0.04 0.00 0.00 63.50 63.87 1wh0 n PRO 11 Cb 0.33 -1.31 0.55 0.00 -0.04 0.00 0.00 33.50 33.03 1wh0 n PRO 11 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wh0 n GLU 12 N -0.81 -0.06 -0.01 0.54 -0.00 -1.26 0.25 120.64 119.30 1wh0 n GLU 12 Ca 0.07 1.30 -0.09 0.00 -0.00 0.00 0.00 57.16 58.45 1wh0 n GLU 12 Cb 0.03 -2.34 0.06 0.00 -0.00 0.00 0.00 31.44 29.20 1wh0 n GLU 12 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 1wh0 h SER 13 N 0.00 0.63 -4.20 -1.84 0.02 -1.94 -3.44 113.55 102.78 1wh0 h SER 13 Ca 0.80 -0.32 -0.49 0.00 -0.84 0.00 0.00 61.79 60.93 1wh0 h SER 13 Cb 2.11 -0.18 0.07 0.00 0.14 0.00 0.00 62.40 64.53 1wh0 h SER 13 CO -0.73 1.03 0.38 -0.04 -1.14 0.00 0.00 176.83 176.33 1wh0 s MET 14 N -4.08 3.28 -0.02 3.45 -1.94 0.70 -4.99 119.30 115.71 1wh0 s MET 14 Ca -0.08 1.20 -0.13 0.00 -1.71 0.00 0.00 55.69 54.97 1wh0 s MET 14 Cb 0.12 -2.03 -0.05 0.00 2.01 0.00 0.00 34.83 34.87 1wh0 s MET 14 CO 0.84 -0.84 0.36 0.08 -0.01 0.00 0.00 175.02 175.45 1wh0 s VAL 15 N -2.47 5.12 -0.18 -6.03 1.01 -0.72 -4.97 120.40 112.15 1wh0 s VAL 15 Ca 0.63 0.72 -0.04 0.00 0.00 0.00 0.00 61.98 63.29 1wh0 s VAL 15 Cb -0.16 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1wh0 s VAL 15 CO 0.38 0.58 -0.02 0.20 0.00 0.00 0.00 175.10 176.24 1wh0 s ASN 16 N -1.05 4.77 0.19 3.32 0.01 -1.26 0.87 114.94 121.79 1wh0 s ASN 16 Ca 0.22 -0.19 -0.30 0.00 -0.71 0.00 0.00 52.86 51.88 1wh0 s ASN 16 Cb -0.16 -1.80 -0.08 0.00 0.41 0.00 0.00 41.25 39.63 1wh0 s ASN 16 CO 0.12 0.10 1.00 -0.76 -1.51 0.00 0.00 177.10 176.05 1wh0 s LEU 17 N 0.76 4.56 -0.06 0.60 1.43 0.17 -4.85 118.68 121.29 1wh0 s LEU 17 Ca -0.01 1.96 -0.02 0.00 -1.03 0.00 0.00 54.13 55.03 1wh0 s LEU 17 Cb -0.14 -3.60 -0.26 0.00 0.03 0.00 0.00 46.19 42.21 1wh0 s LEU 17 CO 0.02 -0.03 0.60 0.00 0.23 0.00 0.00 176.35 177.18 1wh0 h ALA 18 N 4.79 0.43 -2.47 4.21 0.00 -1.98 -3.41 119.26 120.84 1wh0 h ALA 18 Ca -0.44 -1.30 -0.08 0.00 0.00 0.00 0.00 54.91 53.08 1wh0 h ALA 18 Cb 1.21 0.51 -0.26 0.00 0.00 0.00 0.00 17.79 19.25 1wh0 h ALA 18 CO 0.70 1.30 -0.28 0.12 0.00 0.00 0.00 179.25 181.09 1wh0 s PHE 19 N -2.59 -0.79 -0.12 0.00 5.36 -1.26 -5.06 117.98 113.53 1wh0 s PHE 19 Ca -0.14 1.55 0.03 0.00 -0.96 0.00 0.00 56.93 57.41 1wh0 s PHE 19 Cb 0.07 0.36 -0.00 0.00 -0.34 0.00 0.00 43.02 43.11 1wh0 s PHE 19 CO 0.81 -0.44 -0.21 0.08 -1.46 0.00 0.00 175.22 174.00 1wh0 s VAL 20 N 2.03 2.26 -0.44 3.12 1.01 -1.26 -5.06 120.40 122.06 1wh0 s VAL 20 Ca -0.06 -0.94 -0.27 0.00 0.00 0.00 0.00 61.98 60.71 1wh0 s VAL 20 Cb -0.10 -1.89 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 1wh0 s VAL 20 CO -0.14 0.55 2.37 1.17 0.00 0.00 0.00 175.10 179.05 1wh0 n LYS 21 N 3.67 1.24 -4.08 2.72 0.00 -1.26 -4.90 118.16 115.55 1wh0 n LYS 21 Ca -0.19 0.16 -0.10 0.00 0.00 0.00 0.00 58.31 58.17 1wh0 n LYS 21 Cb 0.53 -3.23 -0.08 0.00 0.00 0.00 0.00 35.03 32.24 1wh0 n LYS 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wh0 s ASN 22 N 10.74 0.10 -0.09 3.14 6.03 -1.26 -0.76 114.94 132.84 1wh0 s ASN 22 Ca 1.02 -1.11 -0.04 0.00 -1.03 0.00 0.00 52.86 51.70 1wh0 s ASN 22 Cb -0.32 0.42 0.05 0.00 -3.03 0.00 0.00 41.25 38.38 1wh0 s ASN 22 CO 0.31 -0.89 0.19 -0.62 -2.03 0.00 0.00 177.10 174.06 1wh0 s ASP 23 N -3.05 0.40 -0.12 3.54 2.15 -0.16 -4.94 116.67 114.49 1wh0 s ASP 23 Ca 0.26 0.41 0.03 0.00 0.43 0.00 0.00 52.55 53.68 1wh0 s ASP 23 Cb 0.04 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 43.04 1wh0 s ASP 23 CO 0.06 -0.22 -0.21 -0.94 -0.17 0.00 0.00 175.17 173.69 1wh0 s SER 24 N 2.01 3.29 0.11 -0.34 1.04 -1.26 -0.32 113.70 118.23 1wh0 s SER 24 Ca -0.01 -0.53 0.06 0.00 0.48 0.00 0.00 55.95 55.95 1wh0 s SER 24 Cb -0.12 -1.46 -0.04 0.00 0.10 0.00 0.00 66.02 64.50 1wh0 s SER 24 CO -0.07 0.13 0.00 -0.72 0.98 0.00 0.00 173.24 173.57 1wh0 s TYR 25 N 0.50 2.95 -0.61 5.02 1.13 -1.03 -4.97 117.35 120.34 1wh0 s TYR 25 Ca -0.14 -0.06 -0.27 0.00 -1.41 0.00 0.00 57.07 55.19 1wh0 s TYR 25 Cb -0.17 -1.49 0.00 0.00 -1.10 0.00 0.00 41.96 39.20 1wh0 s TYR 25 CO 0.05 0.49 1.60 -1.21 -2.51 0.00 0.00 175.55 173.96 1wh0 s GLU 26 N -2.49 3.00 0.16 -3.49 2.02 -1.26 -3.19 118.70 113.45 1wh0 s GLU 26 Ca 0.26 0.43 0.05 0.00 0.02 0.00 0.00 54.97 55.73 1wh0 s GLU 26 Cb -0.11 -4.25 -0.04 0.00 0.10 0.00 0.00 34.13 29.83 1wh0 s GLU 26 CO 0.18 -2.31 0.11 0.21 0.02 0.00 0.00 175.26 173.48 1wh0 s LYS 27 N 6.21 2.82 0.39 1.61 2.20 -0.99 -5.03 119.74 126.96 1wh0 s LYS 27 Ca 0.56 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 1wh0 s LYS 27 Cb -0.12 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.60 1wh0 s LYS 27 CO 0.21 0.48 0.00 0.41 -0.36 0.00 0.00 175.35 176.10 1wh0 n GLY 28 N -0.30 -0.21 0.08 5.54 0.00 -1.26 -2.03 105.19 107.01 1wh0 n GLY 28 Ca -0.08 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1wh0 n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 h PRO 29 N 0.00 -0.07 0.00 1.61 0.13 -2.02 -3.36 132.00 128.29 1wh0 h PRO 29 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wh0 h PRO 29 Cb 0.02 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1wh0 h PRO 29 CO 0.00 0.39 -0.08 -0.25 -0.23 0.00 0.00 178.00 177.83 1wh0 n ASP 30 N -4.90 1.73 -4.87 1.44 8.00 -1.26 -4.68 116.55 112.01 1wh0 n ASP 30 Ca -0.08 -2.53 -0.32 0.00 0.71 0.00 0.00 54.79 52.57 1wh0 n ASP 30 Cb 0.25 -0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 1wh0 n ASP 30 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1wh0 s SER 31 N -1.96 6.63 -0.23 -2.24 0.01 -0.86 -1.25 113.70 113.80 1wh0 s SER 31 Ca 0.17 0.93 -0.03 0.00 1.31 0.00 0.00 55.95 58.33 1wh0 s SER 31 Cb 0.15 -2.23 0.12 0.00 0.21 0.00 0.00 66.02 64.27 1wh0 s SER 31 CO 0.02 -0.07 0.31 -0.69 0.41 0.00 0.00 173.24 173.22 1wh0 s VAL 32 N -1.80 -0.47 0.25 3.43 1.01 -0.74 -2.34 120.40 119.73 1wh0 s VAL 32 Ca 0.47 -0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 1wh0 s VAL 32 Cb -0.11 -0.79 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 1wh0 s VAL 32 CO 0.21 -0.20 0.61 -0.69 0.00 0.00 0.00 175.10 175.03 1wh0 s VAL 33 N 2.44 4.84 -0.03 2.92 1.01 -1.19 -0.57 120.40 129.82 1wh0 s VAL 33 Ca 0.10 0.67 0.03 0.00 0.00 0.00 0.00 61.98 62.77 1wh0 s VAL 33 Cb -0.15 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1wh0 s VAL 33 CO -0.17 -0.07 -0.10 -0.69 0.00 0.00 0.00 175.10 174.08 1wh0 s VAL 34 N -1.82 0.85 -0.32 2.92 1.01 -0.61 -2.45 120.40 119.97 1wh0 s VAL 34 Ca 0.48 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1wh0 s VAL 34 Cb -0.11 -0.75 0.07 0.00 0.00 0.00 0.00 36.38 35.59 1wh0 s VAL 34 CO 0.20 0.26 0.02 -1.00 0.00 0.00 0.00 175.10 174.58 1wh0 s HIS 35 N 0.16 3.44 -0.20 5.22 3.76 0.56 -2.76 115.29 125.48 1wh0 s HIS 35 Ca -0.03 -2.34 -0.20 0.00 -0.15 0.00 0.00 55.06 52.35 1wh0 s HIS 35 Cb -0.09 -2.44 -0.03 0.00 1.11 0.00 0.00 32.58 31.13 1wh0 s HIS 35 CO 0.01 -0.89 0.57 0.08 -0.85 0.00 0.00 174.74 173.66 1wh0 s VAL 36 N 1.12 5.06 -0.82 -0.90 1.01 -0.87 -0.98 120.40 124.03 1wh0 s VAL 36 Ca -0.00 1.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.79 1wh0 s VAL 36 Cb -0.20 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.32 1wh0 s VAL 36 CO -0.04 0.15 1.33 -0.31 0.00 0.00 0.00 175.10 176.22 1wh0 s TYR 37 N 1.75 2.35 -0.09 5.22 1.51 0.06 -1.77 117.35 126.37 1wh0 s TYR 37 Ca 0.26 -0.26 -0.31 0.00 -1.01 0.00 0.00 57.07 55.76 1wh0 s TYR 37 Cb -0.16 -4.65 0.09 0.00 -0.11 0.00 0.00 41.96 37.14 1wh0 s TYR 37 CO 0.10 -2.04 0.81 0.54 -1.11 0.00 0.00 175.55 173.85 1wh0 s VAL 38 N 5.54 0.00 0.32 0.71 0.11 -1.05 -4.80 120.40 121.23 1wh0 s VAL 38 Ca 0.38 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.47 1wh0 s VAL 38 Cb -0.06 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 1wh0 s VAL 38 CO 0.08 0.00 0.17 -0.54 -3.33 0.00 0.00 175.10 171.49 1wh0 s LYS 39 N -1.18 1.64 -1.44 1.54 1.02 -1.26 -2.98 119.74 117.08 1wh0 s LYS 39 Ca -0.07 -1.95 -0.05 0.00 0.02 0.00 0.00 55.97 53.92 1wh0 s LYS 39 Cb -0.00 -0.07 0.04 0.00 -0.52 0.00 0.00 37.83 37.28 1wh0 s LYS 39 CO 0.06 -0.48 0.68 0.39 -0.92 0.00 0.00 175.35 175.08 1wh0 n GLU 40 N -0.61 -4.33 -3.57 1.68 -0.58 -1.26 -3.62 120.64 108.34 1wh0 n GLU 40 Ca 0.01 0.52 -0.29 0.00 -0.42 0.00 0.00 57.16 56.98 1wh0 n GLU 40 Cb 0.64 -5.03 -0.04 0.00 -0.57 0.00 0.00 31.44 26.45 1wh0 n GLU 40 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wh0 s ILE 41 N -3.64 5.13 -0.46 -3.67 1.01 -1.26 -1.42 121.20 116.89 1wh0 s ILE 41 Ca 0.24 -0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.64 1wh0 s ILE 41 Cb -0.12 -3.70 0.09 0.00 0.01 0.00 0.00 42.46 38.73 1wh0 s ILE 41 CO 0.85 -0.17 0.36 0.00 0.00 0.00 0.00 174.94 175.99 1wh0 n ARG 43 N 5.08 0.53 0.04 0.00 1.74 -1.26 -0.66 116.66 122.13 1wh0 n ARG 43 Ca -0.11 0.02 -0.19 0.00 -0.77 0.00 0.00 57.85 56.79 1wh0 n ARG 43 Cb 0.43 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.22 1wh0 n ARG 43 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1wh0 h ASP 44 N 0.00 0.42 -0.12 0.55 3.32 -2.00 -3.37 116.42 115.22 1wh0 h ASP 44 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.33 1wh0 h ASP 44 Cb 0.02 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1wh0 h ASP 44 CO 0.00 1.62 0.00 0.35 -1.72 0.00 0.00 179.24 179.49 1wh0 n THR 45 N -3.46 0.73 -3.70 0.35 -2.24 -1.06 -4.95 114.28 99.94 1wh0 n THR 45 Ca -0.23 -0.86 -0.38 0.00 -2.27 0.00 0.00 64.05 60.30 1wh0 n THR 45 Cb 1.06 0.67 -0.12 0.00 -2.10 0.00 0.00 70.33 69.83 1wh0 n THR 45 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1wh0 s SER 46 N -0.85 5.35 0.42 3.42 0.01 0.16 -4.61 113.70 117.61 1wh0 s SER 46 Ca 0.10 -0.65 0.03 0.00 1.31 0.00 0.00 55.95 56.74 1wh0 s SER 46 Cb 0.05 -1.94 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 1wh0 s SER 46 CO 0.07 -0.21 0.08 0.00 0.41 0.00 0.00 173.24 173.59 1wh0 s ARG 47 N 1.55 1.96 -0.06 12.44 1.70 0.42 -4.75 118.95 132.21 1wh0 s ARG 47 Ca 0.03 -2.19 -0.02 0.00 -0.47 0.00 0.00 55.73 53.08 1wh0 s ARG 47 Cb -0.17 -0.96 0.03 0.00 -0.57 0.00 0.00 34.95 33.28 1wh0 s ARG 47 CO 0.04 -0.37 0.06 0.08 -1.08 0.00 0.00 175.30 174.03 1wh0 s VAL 48 N -3.10 -0.03 -0.37 4.99 1.01 -1.26 -0.45 120.40 121.18 1wh0 s VAL 48 Ca 0.22 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 1wh0 s VAL 48 Cb 0.04 -0.26 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1wh0 s VAL 48 CO 0.12 0.14 0.52 -0.76 0.00 0.00 0.00 175.10 175.11 1wh0 s LEU 49 N 2.14 4.44 -0.44 3.92 2.01 0.35 -4.95 118.68 126.13 1wh0 s LEU 49 Ca 0.05 -0.16 -0.19 0.00 0.01 0.00 0.00 54.13 53.84 1wh0 s LEU 49 Cb -0.13 -2.57 0.03 0.00 0.01 0.00 0.00 46.19 43.54 1wh0 s LEU 49 CO -0.04 -0.53 0.53 -0.36 1.01 0.00 0.00 176.35 176.96 1wh0 s PHE 50 N 2.41 3.12 0.48 0.29 0.08 -1.26 0.13 117.98 123.23 1wh0 s PHE 50 Ca 0.18 -0.33 -0.00 0.00 0.12 0.00 0.00 56.93 56.89 1wh0 s PHE 50 Cb -0.15 -3.15 0.10 0.00 -0.57 0.00 0.00 43.02 39.24 1wh0 s PHE 50 CO 0.14 -0.81 0.66 0.54 -0.10 0.00 0.00 175.22 175.65 1wh0 n ARG 51 N 5.88 0.11 0.06 0.44 1.74 0.14 -4.63 116.66 120.40 1wh0 n ARG 51 Ca -0.06 -1.77 -0.20 0.00 -0.77 0.00 0.00 57.85 55.06 1wh0 n ARG 51 Cb 0.47 -0.45 -0.14 0.00 -1.02 0.00 0.00 32.46 31.32 1wh0 n ARG 51 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1wh0 h GLU 52 N 0.00 0.31 -0.18 5.56 4.11 -1.97 -3.34 114.58 119.06 1wh0 h GLU 52 Ca -0.22 -0.52 0.00 0.00 0.07 0.00 0.00 59.36 58.69 1wh0 h GLU 52 Cb 0.80 0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1wh0 h GLU 52 CO 0.23 1.19 0.00 0.94 0.07 0.00 0.00 179.01 181.44 1wh0 n GLN 53 N -3.50 2.57 -2.93 1.06 7.27 -1.26 0.52 117.38 121.10 1wh0 n GLN 53 Ca -0.22 -2.33 0.01 0.00 0.07 0.00 0.00 57.00 54.54 1wh0 n GLN 53 Cb 1.06 -1.46 0.01 0.00 2.41 0.00 0.00 30.24 32.26 1wh0 n GLN 53 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1wh0 n ASP 54 N -0.44 -0.66 -3.38 1.69 5.68 -1.26 -1.93 116.55 116.25 1wh0 n ASP 54 Ca 0.14 -1.17 0.01 0.00 -0.50 0.00 0.00 54.79 53.27 1wh0 n ASP 54 Cb 0.59 1.03 -0.03 0.00 -1.14 0.00 0.00 41.12 41.58 1wh0 n ASP 54 CO 0.00 0.00 0.00 0.72 -1.33 0.00 0.00 177.20 176.59 1wh0 s PHE 55 N -2.71 -1.46 0.16 2.11 -0.71 -1.17 0.28 117.98 114.47 1wh0 s PHE 55 Ca 0.15 1.96 -0.16 0.00 -1.04 0.00 0.00 56.93 57.83 1wh0 s PHE 55 Cb -0.01 0.65 -0.07 0.00 -1.21 0.00 0.00 43.02 42.38 1wh0 s PHE 55 CO 0.00 -0.78 0.60 0.99 -1.34 0.00 0.00 175.22 174.70 1wh0 s THR 56 N 2.86 4.76 -0.25 -4.49 2.01 0.35 -3.39 115.64 117.50 1wh0 s THR 56 Ca 0.09 1.01 0.00 0.00 0.31 0.00 0.00 61.69 63.10 1wh0 s THR 56 Cb -0.14 -3.79 0.07 0.00 0.01 0.00 0.00 72.50 68.65 1wh0 s THR 56 CO -0.20 0.27 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.78 1wh0 s LEU 57 N -1.86 2.47 -0.32 4.42 2.96 -0.15 0.13 118.68 126.33 1wh0 s LEU 57 Ca 0.38 -1.28 -0.09 0.00 -0.22 0.00 0.00 54.13 52.92 1wh0 s LEU 57 Cb -0.16 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.47 1wh0 s LEU 57 CO 0.20 -0.29 0.14 -0.63 -1.32 0.00 0.00 176.35 174.45 1wh0 s ILE 58 N 1.47 4.41 -0.10 6.68 1.09 0.40 -1.49 121.20 133.66 1wh0 s ILE 58 Ca -0.01 -0.60 -0.13 0.00 -1.10 0.00 0.00 60.65 58.80 1wh0 s ILE 58 Cb -0.18 -3.31 0.03 0.00 -1.06 0.00 0.00 42.46 37.94 1wh0 s ILE 58 CO -0.10 -0.00 0.35 0.72 -0.10 0.00 0.00 174.94 175.82 1wh0 s PHE 59 N 1.57 -0.34 -0.41 3.97 -0.12 -1.02 0.16 117.98 121.79 1wh0 s PHE 59 Ca 0.03 0.79 -0.11 0.00 -0.05 0.00 0.00 56.93 57.59 1wh0 s PHE 59 Cb -0.18 0.13 0.05 0.00 -0.63 0.00 0.00 43.02 42.39 1wh0 s PHE 59 CO 0.05 -0.25 0.26 -0.65 -0.05 0.00 0.00 175.22 174.58 1wh0 s GLN 60 N -0.24 2.78 -0.04 1.99 -0.21 -1.26 -3.43 119.66 119.24 1wh0 s GLN 60 Ca -0.04 -1.24 -0.06 0.00 0.02 0.00 0.00 55.36 54.04 1wh0 s GLN 60 Cb -0.03 -3.82 -0.04 0.00 1.00 0.00 0.00 33.01 30.11 1wh0 s GLN 60 CO 0.02 -0.83 0.21 -0.08 -2.12 0.00 0.00 175.29 172.48 1wh0 s THR 61 N 1.53 5.40 -0.10 -0.19 -1.32 -1.26 -2.59 115.64 117.10 1wh0 s THR 61 Ca 0.03 0.13 0.15 0.00 -1.21 0.00 0.00 61.69 60.79 1wh0 s THR 61 Cb -0.21 -3.51 0.23 0.00 -1.51 0.00 0.00 72.50 67.50 1wh0 s THR 61 CO 0.05 0.46 1.12 -2.11 -2.21 0.00 0.00 174.62 171.93 1wh0 n ARG 62 N 1.43 1.59 -2.73 7.08 1.85 -0.51 -4.23 116.66 121.15 1wh0 n ARG 62 Ca -0.14 -2.36 -0.43 0.00 -1.00 0.00 0.00 57.85 53.92 1wh0 n ARG 62 Cb 0.54 -1.40 -0.03 0.00 -1.05 0.00 0.00 32.46 30.52 1wh0 n ARG 62 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1wh0 s ASP 63 N -2.51 6.59 0.55 2.89 2.15 -1.24 -4.89 116.67 120.22 1wh0 s ASP 63 Ca 0.26 0.36 0.41 0.00 0.43 0.00 0.00 52.55 54.00 1wh0 s ASP 63 Cb 0.22 -2.49 1.59 0.00 -0.30 0.00 0.00 42.92 41.94 1wh0 s ASP 63 CO 0.02 -1.09 1.71 1.23 -0.17 0.00 0.00 175.17 176.87 1wh0 h GLY 64 N 10.72 0.00 1.38 2.66 0.00 -1.94 0.88 103.07 116.77 1wh0 h GLY 64 Ca -0.23 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 1wh0 h GLY 64 CO 1.06 0.00 -0.07 3.43 0.00 0.00 0.00 176.54 180.96 1wh0 h ASN 65 N 0.00 0.73 0.32 0.19 2.35 -1.98 0.25 115.58 117.44 1wh0 h ASN 65 Ca 0.68 -0.20 -0.33 0.00 -0.55 0.00 0.00 56.30 55.90 1wh0 h ASN 65 Cb 2.78 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 40.93 1wh0 h ASN 65 CO -0.01 0.84 -1.78 0.15 -1.65 0.00 0.00 177.43 174.98 1wh0 h PHE 66 N 0.69 0.35 0.03 1.19 3.04 0.27 -3.36 116.94 119.15 1wh0 h PHE 66 Ca 0.13 -0.26 -0.00 0.00 3.98 0.00 0.00 57.97 61.82 1wh0 h PHE 66 Cb 0.52 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.02 1wh0 h PHE 66 CO 0.03 1.45 -0.01 -0.07 -2.02 0.00 0.00 178.31 177.68 1wh0 h LEU 67 N 0.05 -0.03 -0.97 0.59 3.38 -0.74 -3.18 115.31 114.41 1wh0 h LEU 67 Ca -0.33 -0.47 0.32 0.00 0.09 0.00 0.00 57.88 57.49 1wh0 h LEU 67 Cb 2.03 0.01 -0.16 0.00 0.09 0.00 0.00 40.66 42.63 1wh0 h LEU 67 CO 0.11 0.46 0.43 0.03 0.09 0.00 0.00 178.44 179.56 1wh0 h ARG 68 N -0.54 0.19 -0.76 1.13 3.08 -0.68 0.71 114.38 117.52 1wh0 h ARG 68 Ca -0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1wh0 h ARG 68 Cb 0.50 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.47 1wh0 h ARG 68 CO 0.01 0.13 0.40 -0.07 -1.07 0.00 0.00 179.97 179.36 1wh0 h LEU 69 N 0.20 0.96 -7.67 3.04 3.38 -1.69 -3.34 115.31 110.18 1wh0 h LEU 69 Ca 0.70 -0.11 -0.75 0.00 0.09 0.00 0.00 57.88 57.82 1wh0 h LEU 69 Cb 1.62 -0.25 -0.31 0.00 0.09 0.00 0.00 40.66 41.82 1wh0 h LEU 69 CO -0.68 0.80 -0.09 -1.00 0.09 0.00 0.00 178.44 177.55 1wh0 s HIS 70 N -5.80 3.64 0.99 1.13 3.76 0.25 -5.07 115.29 114.19 1wh0 s HIS 70 Ca -0.13 -2.39 -0.12 0.00 -0.15 0.00 0.00 55.06 52.27 1wh0 s HIS 70 Cb 0.15 -3.53 0.18 0.00 1.11 0.00 0.00 32.58 30.50 1wh0 s HIS 70 CO 0.81 -0.91 1.09 -1.25 -0.85 0.00 0.00 174.74 173.63 1wh0 s PRO 71 N -0.10 0.49 0.00 8.40 0.04 -1.24 -3.74 135.00 138.85 1wh0 s PRO 71 Ca 0.19 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1wh0 s PRO 71 Cb -0.14 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1wh0 s PRO 71 CO -0.07 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 174.68 1wh0 n GLY 72 N -1.09 2.38 3.63 0.56 0.00 -1.26 -4.97 105.19 104.44 1wh0 n GLY 72 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1wh0 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 n GLY 74 N -1.04 3.88 0.19 0.00 0.00 -1.26 -5.01 105.19 101.95 1wh0 n GLY 74 Ca -0.11 -1.36 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 1wh0 n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 h PRO 75 N 0.00 0.23 -0.39 1.61 0.13 -1.92 -2.68 132.00 128.99 1wh0 h PRO 75 Ca 0.00 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1wh0 h PRO 75 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1wh0 h PRO 75 CO 0.00 0.65 0.00 -2.39 -0.23 0.00 0.00 178.00 176.03 1wh0 n HIS 76 N -3.98 0.48 -3.41 1.56 1.44 -1.26 -4.48 115.22 105.56 1wh0 n HIS 76 Ca -0.02 -0.22 -0.41 0.00 -2.01 0.00 0.00 57.72 55.06 1wh0 n HIS 76 Cb 0.52 -0.04 -0.09 0.00 0.12 0.00 0.00 29.99 30.49 1wh0 n HIS 76 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1wh0 s THR 77 N -1.61 5.18 0.24 0.61 2.01 -1.01 -5.05 115.64 116.01 1wh0 s THR 77 Ca 0.21 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 1wh0 s THR 77 Cb 0.12 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.71 1wh0 s THR 77 CO 0.13 -0.11 1.43 -0.89 -0.69 0.00 0.00 174.62 174.49 1wh0 s THR 78 N 1.98 2.73 -0.11 -0.82 2.01 -1.26 -4.69 115.64 115.48 1wh0 s THR 78 Ca 0.11 0.61 0.02 0.00 0.31 0.00 0.00 61.69 62.74 1wh0 s THR 78 Cb -0.17 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 1wh0 s THR 78 CO 0.12 0.10 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.60 1wh0 s PHE 79 N 0.04 2.69 -0.21 4.92 0.08 -1.22 -1.76 117.98 122.52 1wh0 s PHE 79 Ca 0.59 -0.80 -0.00 0.00 0.12 0.00 0.00 56.93 56.84 1wh0 s PHE 79 Cb -0.41 -1.77 0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1wh0 s PHE 79 CO 0.42 -0.29 -0.13 0.50 -0.10 0.00 0.00 175.22 175.62 1wh0 s ARG 80 N 0.30 2.98 -0.42 0.44 3.52 0.25 -2.43 118.95 123.59 1wh0 s ARG 80 Ca -0.13 -0.86 -0.06 0.00 -0.13 0.00 0.00 55.73 54.54 1wh0 s ARG 80 Cb -0.17 -2.76 0.10 0.00 -1.56 0.00 0.00 34.95 30.56 1wh0 s ARG 80 CO 0.07 -0.27 0.24 -0.46 -0.81 0.00 0.00 175.30 174.07 1wh0 s TRP 81 N 1.32 3.45 -0.27 5.12 -0.00 -0.56 0.46 118.94 128.46 1wh0 s TRP 81 Ca 0.03 -1.98 -0.11 0.00 -0.00 0.00 0.00 56.10 54.04 1wh0 s TRP 81 Cb -0.15 -3.13 -0.05 0.00 -0.00 0.00 0.00 33.47 30.15 1wh0 s TRP 81 CO -0.09 -0.93 0.21 -1.14 -0.00 0.00 0.00 176.95 175.00 1wh0 s GLN 82 N 1.29 3.97 -0.16 5.86 0.74 -1.26 -0.98 119.66 129.11 1wh0 s GLN 82 Ca 0.05 -0.27 -0.03 0.00 0.05 0.00 0.00 55.36 55.16 1wh0 s GLN 82 Cb -0.23 -3.64 -0.02 0.00 1.10 0.00 0.00 33.01 30.21 1wh0 s GLN 82 CO -0.01 -0.16 -0.05 0.08 -0.55 0.00 0.00 175.29 174.60 1wh0 s VAL 83 N 1.70 3.69 -0.45 1.34 1.01 -1.22 -5.02 120.40 121.45 1wh0 s VAL 83 Ca 0.08 -0.42 -0.19 0.00 0.00 0.00 0.00 61.98 61.45 1wh0 s VAL 83 Cb -0.16 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.64 1wh0 s VAL 83 CO 0.10 0.48 0.54 -0.75 0.00 0.00 0.00 175.10 175.47 1wh0 s LYS 84 N 0.58 3.14 -0.14 2.72 2.20 -1.26 -3.05 119.74 123.93 1wh0 s LYS 84 Ca -0.03 -0.73 -0.21 0.00 -0.36 0.00 0.00 55.97 54.63 1wh0 s LYS 84 Cb -0.15 -4.01 -0.03 0.00 -1.51 0.00 0.00 37.83 32.14 1wh0 s LYS 84 CO 0.03 -1.00 0.63 -0.51 -0.36 0.00 0.00 175.35 174.14 1wh0 s LEU 85 N 2.41 4.22 0.08 5.43 1.43 -0.82 -0.22 118.68 131.22 1wh0 s LEU 85 Ca 0.15 0.95 -0.25 0.00 -1.03 0.00 0.00 54.13 53.95 1wh0 s LEU 85 Cb -0.17 -2.93 -0.10 0.00 0.03 0.00 0.00 46.19 43.02 1wh0 s LEU 85 CO 0.14 -0.18 1.41 0.03 0.23 0.00 0.00 176.35 177.98 1wh0 h ARG 86 N 7.11 -0.47 -7.22 1.70 2.47 -1.84 -3.43 114.38 112.70 1wh0 h ARG 86 Ca -0.36 0.03 -0.45 0.00 -1.26 0.00 0.00 59.98 57.94 1wh0 h ARG 86 Cb 1.17 0.11 0.08 0.00 -1.65 0.00 0.00 29.97 29.67 1wh0 h ARG 86 CO 0.77 -0.31 0.17 -0.80 0.56 0.00 0.00 179.97 180.36 1wh0 s ASN 87 N -4.17 4.79 0.84 7.04 0.01 -1.26 -5.09 114.94 117.09 1wh0 s ASN 87 Ca -0.12 0.29 -0.12 0.00 -0.71 0.00 0.00 52.86 52.20 1wh0 s ASN 87 Cb 0.05 -0.93 0.11 0.00 0.41 0.00 0.00 41.25 40.89 1wh0 s ASN 87 CO 0.45 -1.58 1.20 -0.76 -1.51 0.00 0.00 177.10 174.90 1wh0 s LEU 88 N -5.17 2.61 0.00 0.60 1.43 -1.26 -4.77 118.68 112.12 1wh0 s LEU 88 Ca 0.61 0.57 -0.06 0.00 -1.03 0.00 0.00 54.13 54.21 1wh0 s LEU 88 Cb -0.10 -2.94 0.03 0.00 0.03 0.00 0.00 46.19 43.20 1wh0 s LEU 88 CO 0.44 -2.11 0.54 2.30 0.23 0.00 0.00 176.35 177.74 1wh0 n ILE 89 N -3.39 0.00 -3.97 -0.59 -5.35 0.18 -3.82 119.36 102.43 1wh0 n ILE 89 Ca 0.10 -1.29 -0.30 0.00 -0.27 0.00 0.00 62.75 60.99 1wh0 n ILE 89 Cb 0.60 0.93 -0.14 0.00 -1.74 0.00 0.00 39.64 39.29 1wh0 n ILE 89 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1wh0 s GLU 90 N -2.45 1.82 0.29 6.28 8.01 0.68 -4.69 118.70 128.64 1wh0 s GLU 90 Ca 0.21 -2.39 0.25 0.00 0.01 0.00 0.00 54.97 53.04 1wh0 s GLU 90 Cb -0.02 -3.27 1.04 0.00 -4.31 0.00 0.00 34.13 27.56 1wh0 s GLU 90 CO 0.15 -1.06 1.74 -1.00 0.01 0.00 0.00 175.26 175.11 1wh0 h PRO 91 N 6.84 0.00 0.00 0.39 0.13 -1.82 -2.72 132.00 134.81 1wh0 h PRO 91 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1wh0 h PRO 91 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1wh0 h PRO 91 CO 0.64 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.34 1wh0 h GLU 92 N 0.00 0.00 0.00 0.86 5.08 -1.91 -2.88 114.58 115.73 1wh0 h GLU 92 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1wh0 h GLU 92 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1wh0 h GLU 92 CO 0.00 0.00 -1.37 1.04 -1.00 0.00 0.00 179.01 177.68 1wh0 n GLN 93 N -2.62 0.63 -0.94 2.33 6.02 -1.04 -5.04 117.38 116.72 1wh0 n GLN 93 Ca 0.00 -0.06 -0.34 0.00 -0.01 0.00 0.00 57.00 56.59 1wh0 n GLN 93 Cb 0.21 -1.18 0.10 0.00 1.02 0.00 0.00 30.24 30.39 1wh0 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wh0 s THR 95 N -2.24 0.03 -0.08 0.00 -4.23 -1.01 -5.00 115.64 103.11 1wh0 s THR 95 Ca 0.58 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 1wh0 s THR 95 Cb -0.25 -0.35 0.02 0.00 1.34 0.00 0.00 72.50 73.26 1wh0 s THR 95 CO 0.66 -0.13 -0.06 0.72 -0.54 0.00 0.00 174.62 175.26 1wh0 s PHE 96 N -0.43 1.11 -0.15 3.99 -0.12 -1.26 -1.28 117.98 119.83 1wh0 s PHE 96 Ca -0.05 -0.43 -0.09 0.00 -0.05 0.00 0.00 56.93 56.31 1wh0 s PHE 96 Cb -0.03 -0.95 0.05 0.00 -0.63 0.00 0.00 43.02 41.45 1wh0 s PHE 96 CO 0.01 -0.34 0.37 0.00 -0.05 0.00 0.00 175.22 175.21 1wh0 s PHE 98 N 1.24 2.80 0.10 0.00 0.40 -1.26 0.03 117.98 121.29 1wh0 s PHE 98 Ca -0.08 1.52 0.01 0.00 -0.60 0.00 0.00 56.93 57.77 1wh0 s PHE 98 Cb -0.08 -3.05 -0.00 0.00 0.51 0.00 0.00 43.02 40.40 1wh0 s PHE 98 CO -0.10 -1.47 0.02 0.25 0.70 0.00 0.00 175.22 174.62 1wh0 n THR 99 N -2.66 0.00 0.00 0.64 -2.24 0.52 -4.74 114.28 105.80 1wh0 n THR 99 Ca 0.09 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1wh0 n THR 99 Cb 0.53 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 1wh0 n THR 99 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wh0 n ALA 100 N -2.61 -0.01 -1.13 6.98 0.00 -1.26 -3.72 120.51 118.77 1wh0 n ALA 100 Ca -0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.48 1wh0 n ALA 100 Cb 0.13 0.34 0.12 0.00 0.00 0.00 0.00 19.45 20.04 1wh0 n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wh0 n SER 101 N -1.74 2.04 -3.86 0.00 3.41 -1.26 -4.85 113.62 107.36 1wh0 n SER 101 Ca 0.00 -2.90 -0.10 0.00 -0.26 0.00 0.00 58.87 55.62 1wh0 n SER 101 Cb 0.00 -0.38 -0.06 0.00 -0.26 0.00 0.00 64.21 63.51 1wh0 n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wh0 s ARG 102 N -2.43 1.15 -0.07 4.33 1.70 -1.16 -2.54 118.95 119.93 1wh0 s ARG 102 Ca 0.26 -1.02 -0.02 0.00 -0.47 0.00 0.00 55.73 54.49 1wh0 s ARG 102 Cb 0.23 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.99 1wh0 s ARG 102 CO 0.02 -0.44 0.02 0.42 -1.08 0.00 0.00 175.30 174.25 1wh0 s ILE 103 N -3.91 4.46 -0.16 4.99 1.01 -0.73 0.19 121.20 127.05 1wh0 s ILE 103 Ca 0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 1wh0 s ILE 103 Cb 0.02 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 1wh0 s ILE 103 CO -0.04 0.56 -0.00 -0.62 0.00 0.00 0.00 174.94 174.85 1wh0 s ASP 104 N -1.03 5.11 -0.13 3.58 -1.08 0.11 -2.04 116.67 121.19 1wh0 s ASP 104 Ca 0.15 -0.04 -0.04 0.00 -0.52 0.00 0.00 52.55 52.09 1wh0 s ASP 104 Cb -0.11 -1.84 0.05 0.00 -1.46 0.00 0.00 42.92 39.56 1wh0 s ASP 104 CO 0.04 0.18 0.08 -0.63 0.52 0.00 0.00 175.17 175.36 1wh0 s ILE 105 N 0.32 -0.10 -0.31 4.11 1.01 -1.11 -0.86 121.20 124.27 1wh0 s ILE 105 Ca -0.01 0.03 -0.15 0.00 0.00 0.00 0.00 60.65 60.52 1wh0 s ILE 105 Cb -0.13 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.88 1wh0 s ILE 105 CO 0.02 -0.13 0.36 0.00 0.00 0.00 0.00 174.94 175.19 1wh0 s LEU 107 N 2.05 3.79 -0.39 0.00 1.43 0.26 -2.40 118.68 123.42 1wh0 s LEU 107 Ca 0.13 0.01 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 1wh0 s LEU 107 Cb -0.16 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.08 1wh0 s LEU 107 CO 0.11 0.09 0.32 -0.60 0.23 0.00 0.00 176.35 176.50 1wh0 s ARG 108 N 0.88 3.17 0.71 1.70 6.06 -1.26 -1.79 118.95 128.42 1wh0 s ARG 108 Ca 0.05 -0.82 -0.11 0.00 -2.50 0.00 0.00 55.73 52.34 1wh0 s ARG 108 Cb -0.14 -3.92 0.02 0.00 0.06 0.00 0.00 34.95 30.97 1wh0 s ARG 108 CO 0.03 -0.68 1.08 0.15 -2.50 0.00 0.00 175.30 173.38 1wh0 s LYS 109 N 1.81 2.82 -0.09 5.12 1.02 -0.38 -0.23 119.74 129.81 1wh0 s LYS 109 Ca 0.07 0.57 -0.27 0.00 0.02 0.00 0.00 55.97 56.36 1wh0 s LYS 109 Cb -0.18 -2.01 -0.23 0.00 -0.52 0.00 0.00 37.83 34.89 1wh0 s LYS 109 CO 0.11 -1.09 0.97 0.00 -0.92 0.00 0.00 175.35 174.42 1wh0 h ARG 110 N -0.70 -0.01 -5.19 1.68 3.08 -1.88 -3.43 114.38 107.94 1wh0 h ARG 110 Ca -0.45 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.15 1wh0 h ARG 110 Cb 1.24 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.16 1wh0 h ARG 110 CO 0.62 0.76 -0.62 -0.65 -1.07 0.00 0.00 179.97 179.02 1wh0 s GLN 111 N -3.06 1.59 -1.27 0.04 -1.52 -1.26 -5.07 119.66 109.10 1wh0 s GLN 111 Ca -0.17 -1.87 -0.12 0.00 -1.95 0.00 0.00 55.36 51.25 1wh0 s GLN 111 Cb -0.01 -0.78 0.15 0.00 -0.22 0.00 0.00 33.01 32.15 1wh0 s GLN 111 CO 0.67 -0.18 1.74 0.45 -0.25 0.00 0.00 175.29 177.72 1wh0 n SER 112 N -0.63 5.04 -4.51 5.90 2.88 -1.26 -4.85 113.62 116.19 1wh0 n SER 112 Ca -0.02 -3.03 -0.25 0.00 -1.33 0.00 0.00 58.87 54.24 1wh0 n SER 112 Cb 0.66 -1.54 -0.11 0.00 -0.75 0.00 0.00 64.21 62.48 1wh0 n SER 112 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wh0 s GLN 113 N 1.22 1.75 0.32 -1.46 0.00 -1.26 -5.09 119.66 115.14 1wh0 s GLN 113 Ca 0.42 -1.92 -0.27 0.00 -0.00 0.00 0.00 55.36 53.59 1wh0 s GLN 113 Cb 0.05 -1.45 -0.10 0.00 0.00 0.00 0.00 33.01 31.52 1wh0 s GLN 113 CO 0.00 0.04 0.97 1.03 0.00 0.00 0.00 175.29 177.34 1wh0 s ARG 114 N -3.69 4.58 -0.14 9.60 0.52 -1.26 -4.97 118.95 123.59 1wh0 s ARG 114 Ca 0.32 1.43 0.11 0.00 -0.52 0.00 0.00 55.73 57.07 1wh0 s ARG 114 Cb 0.05 -2.88 -0.16 0.00 0.52 0.00 0.00 34.95 32.47 1wh0 s ARG 114 CO 0.15 0.25 0.03 0.91 0.02 0.00 0.00 175.30 176.66 1wh0 n TRP 115 N 0.69 0.00 -3.55 -0.53 7.02 -1.26 -5.01 117.44 114.80 1wh0 n TRP 115 Ca 0.01 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.24 1wh0 n TRP 115 Cb 0.49 -0.66 0.04 0.00 -2.42 0.00 0.00 31.31 28.76 1wh0 n TRP 115 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1wh0 n GLY 116 N 2.22 -0.52 0.00 6.99 0.00 -1.26 -4.77 105.19 107.85 1wh0 n GLY 116 Ca -0.23 0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1wh0 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh0 n GLY 117 N -1.67 3.17 0.39 -0.02 0.00 -1.26 -5.01 105.19 100.79 1wh0 n GLY 117 Ca -0.01 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1wh0 n GLY 117 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wh0 h LEU 118 N 0.00 -1.46 -9.82 0.99 5.85 -1.97 -3.41 115.31 105.50 1wh0 h LEU 118 Ca 0.00 0.17 -0.48 0.00 0.84 0.00 0.00 57.88 58.41 1wh0 h LEU 118 Cb 0.00 0.57 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1wh0 h LEU 118 CO 0.00 -0.40 0.35 -1.61 -0.34 0.00 0.00 178.44 176.44 1wh0 s GLU 119 N -5.26 4.71 0.47 1.25 2.02 -1.26 -4.44 118.70 116.19 1wh0 s GLU 119 Ca -0.13 1.43 -0.23 0.00 0.02 0.00 0.00 54.97 56.06 1wh0 s GLU 119 Cb 0.06 -3.05 -0.07 0.00 0.10 0.00 0.00 34.13 31.17 1wh0 s GLU 119 CO 0.51 0.39 1.20 0.00 0.02 0.00 0.00 175.26 177.38 1wh0 s ALA 120 N -1.38 2.97 1.09 5.21 0.00 0.69 -4.91 121.76 125.43 1wh0 s ALA 120 Ca 0.46 1.01 -0.08 0.00 0.00 0.00 0.00 51.96 53.35 1wh0 s ALA 120 Cb -0.23 -3.42 0.12 0.00 0.00 0.00 0.00 23.12 19.59 1wh0 s ALA 120 CO 0.29 -0.76 0.41 -0.35 0.00 0.00 0.00 175.76 175.34 1wh0 n PRO 121 N -0.50 -1.83 -2.51 0.00 -0.04 -1.26 -4.65 135.00 124.21 1wh0 n PRO 121 Ca 0.07 -0.66 -0.06 0.00 -0.04 0.00 0.00 63.50 62.82 1wh0 n PRO 121 Cb 0.47 -0.62 0.03 0.00 -0.04 0.00 0.00 33.50 33.34 1wh0 n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wh0 n ALA 122 N -3.71 -0.59 -3.46 0.55 0.00 -1.26 -5.05 120.51 106.99 1wh0 n ALA 122 Ca -0.08 0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.38 1wh0 n ALA 122 Cb 0.22 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 1wh0 n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wh0 s ALA 123 N -3.11 -2.63 -1.80 0.00 0.00 -1.26 -4.96 121.76 108.00 1wh0 s ALA 123 Ca 0.03 2.07 -0.21 0.00 0.00 0.00 0.00 51.96 53.86 1wh0 s ALA 123 Cb -0.01 -1.98 0.20 0.00 0.00 0.00 0.00 23.12 21.32 1wh0 s ALA 123 CO 0.23 -0.79 0.67 -2.13 0.00 0.00 0.00 175.76 173.74 1wh0 n ARG 124 N 4.60 -1.82 -4.87 0.00 0.63 -1.26 -4.91 116.66 109.02 1wh0 n ARG 124 Ca -0.11 0.24 -0.33 0.00 -0.92 0.00 0.00 57.85 56.73 1wh0 n ARG 124 Cb 0.54 -4.86 -0.13 0.00 0.45 0.00 0.00 32.46 28.45 1wh0 n ARG 124 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1wh0 s VAL 125 N -3.30 3.04 0.00 5.15 0.11 -1.26 -5.03 120.40 119.11 1wh0 s VAL 125 Ca 0.77 -0.72 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1wh0 s VAL 125 Cb -0.44 -2.21 0.00 0.00 -1.53 0.00 0.00 36.38 32.21 1wh0 s VAL 125 CO 0.98 0.58 0.00 0.61 -3.33 0.00 0.00 175.10 173.94 1wh0 n GLY 126 N 2.59 0.01 2.76 6.54 0.00 -1.26 -5.05 105.19 110.79 1wh0 n GLY 126 Ca -0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1wh0 n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wh0 s GLY 127 N -2.79 0.69 0.99 -0.02 0.00 -1.26 -5.13 107.32 99.80 1wh0 s GLY 127 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 44.72 43.99 1wh0 s GLY 127 CO 0.00 1.31 0.49 0.00 0.00 0.00 0.00 173.10 174.90 1wh0 n ALA 128 N 5.05 -2.61 0.16 3.20 0.00 -1.26 -4.89 120.51 120.15 1wh0 n ALA 128 Ca -0.09 -0.75 0.01 0.00 0.00 0.00 0.00 53.44 52.61 1wh0 n ALA 128 Cb 0.48 -1.82 0.30 0.00 0.00 0.00 0.00 19.45 18.40 1wh0 n ALA 128 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1wh0 h SER 129 N -1.77 0.05 0.00 0.00 4.64 -2.08 -3.49 113.55 110.90 1wh0 h SER 129 Ca -0.46 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1wh0 h SER 129 Cb 1.30 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1wh0 h SER 129 CO 0.37 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 1wh0 n GLY 130 N -0.27 0.54 2.30 -0.77 0.00 -1.26 -5.13 105.19 100.60 1wh0 n GLY 130 Ca -0.02 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.19 1wh0 n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wh0 n PRO 131 N 0.00 -2.43 -4.43 1.61 -0.04 -1.26 -5.09 135.00 123.37 1wh0 n PRO 131 Ca 0.00 -1.15 -0.21 0.00 -0.04 0.00 0.00 63.50 62.10 1wh0 n PRO 131 Cb 0.00 -1.08 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 1wh0 n PRO 131 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wh0 s SER 132 N -3.44 2.52 0.68 3.54 1.04 -1.26 -5.16 113.70 111.61 1wh0 s SER 132 Ca 0.47 -1.26 0.03 0.00 0.48 0.00 0.00 55.95 55.66 1wh0 s SER 132 Cb -0.05 -0.12 0.12 0.00 0.10 0.00 0.00 66.02 66.07 1wh0 s SER 132 CO 0.36 -0.46 0.93 -0.44 0.98 0.00 0.00 173.24 174.61 1wh0 s SER 133 N -3.44 4.56 0.00 7.02 0.01 -1.26 -5.33 113.70 115.26 1wh0 s SER 133 Ca 0.32 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.01 1wh0 s SER 133 Cb 0.06 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1wh0 s SER 133 CO 0.13 -1.72 0.00 0.61 0.41 0.00 0.00 173.24 172.67