#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 4.88 -0.26 1.61 0.01 -1.26 -5.07 113.70 113.62 1wh0 s SER 2 Ca 0.00 -1.63 -0.26 0.00 1.31 0.00 0.00 55.95 55.38 1wh0 s SER 2 Cb 0.00 -1.70 0.10 0.00 0.21 0.00 0.00 66.02 64.63 1wh0 s SER 2 CO 0.00 -0.34 0.89 -0.94 0.41 0.00 0.00 173.24 173.27 1wh0 s SER 3 N 1.30 -0.57 -0.30 2.44 1.04 -1.26 -5.17 113.70 111.18 1wh0 s SER 3 Ca 0.00 1.06 -0.16 0.00 0.48 0.00 0.00 55.95 57.32 1wh0 s SER 3 Cb -0.20 1.05 0.21 0.00 0.10 0.00 0.00 66.02 67.18 1wh0 s SER 3 CO -0.04 -0.22 1.26 -0.83 0.98 0.00 0.00 173.24 174.39 1wh0 s GLY 4 N 0.13 0.61 0.47 7.32 0.00 -1.26 -5.17 107.32 109.42 1wh0 s GLY 4 Ca 0.01 3.82 -0.00 0.00 0.00 0.00 0.00 44.72 48.54 1wh0 s GLY 4 CO -0.02 2.74 0.70 -0.56 0.00 0.00 0.00 173.10 175.96 1wh0 s SER 5 N 1.01 5.78 0.31 1.64 0.01 -1.26 -5.09 113.70 116.11 1wh0 s SER 5 Ca -0.08 0.33 -0.13 0.00 1.31 0.00 0.00 55.95 57.38 1wh0 s SER 5 Cb -0.02 -1.53 -0.08 0.00 0.21 0.00 0.00 66.02 64.60 1wh0 s SER 5 CO -0.10 -0.76 0.70 -0.94 0.41 0.00 0.00 173.24 172.55 1wh0 s SER 6 N -4.24 6.72 0.00 2.44 1.04 -1.26 -4.79 113.70 113.61 1wh0 s SER 6 Ca 0.49 1.19 0.00 0.00 0.48 0.00 0.00 55.95 58.12 1wh0 s SER 6 Cb -0.10 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1wh0 s SER 6 CO 0.39 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1wh0 n GLY 7 N -0.43 1.12 1.80 7.32 0.00 -1.26 -5.15 105.19 108.58 1wh0 n GLY 7 Ca 0.03 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 1wh0 n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wh0 n VAL 8 N 0.00 0.00 -0.98 1.61 0.24 -1.26 -4.72 118.33 113.22 1wh0 n VAL 8 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.09 1wh0 n VAL 8 Cb 0.00 -0.46 -0.09 0.00 -1.47 0.00 0.00 33.84 31.81 1wh0 n VAL 8 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1wh0 n ASP 9 N -3.43 5.87 -3.20 -1.34 -0.08 -1.26 -4.95 116.55 108.16 1wh0 n ASP 9 Ca 0.07 -2.41 -0.31 0.00 -1.51 0.00 0.00 54.79 50.63 1wh0 n ASP 9 Cb 0.28 -1.30 -0.00 0.00 2.34 0.00 0.00 41.12 42.44 1wh0 n ASP 9 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1wh0 n GLU 10 N 3.12 0.00 0.00 -0.67 1.02 -1.26 -4.72 120.64 118.13 1wh0 n GLU 10 Ca 0.51 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.70 1wh0 n GLU 10 Cb 0.52 -0.75 0.33 0.00 -0.02 0.00 0.00 31.44 31.53 1wh0 n GLU 10 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wh0 n PRO 11 N 1.02 0.49 -0.27 3.49 -0.04 -1.26 -3.49 135.00 134.94 1wh0 n PRO 11 Ca 0.08 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1wh0 n PRO 11 Cb 0.31 -1.35 0.13 0.00 -0.04 0.00 0.00 33.50 32.54 1wh0 n PRO 11 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1wh0 h GLU 12 N 0.00 0.78 -0.06 0.54 4.11 -1.99 0.83 114.58 118.79 1wh0 h GLU 12 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1wh0 h GLU 12 Cb 0.00 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1wh0 h GLU 12 CO 0.00 0.52 0.00 0.43 0.07 0.00 0.00 179.01 180.03 1wh0 n SER 13 N -4.72 1.01 -4.94 3.06 7.64 -1.23 -4.86 113.62 109.58 1wh0 n SER 13 Ca 0.11 -1.48 -0.26 0.00 1.01 0.00 0.00 58.87 58.26 1wh0 n SER 13 Cb 0.21 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 1wh0 n SER 13 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1wh0 s MET 14 N -1.92 3.49 -0.08 1.43 -2.45 0.28 -4.63 119.30 115.41 1wh0 s MET 14 Ca 0.35 -0.46 -0.01 0.00 -1.25 0.00 0.00 55.69 54.32 1wh0 s MET 14 Cb 0.18 -2.85 -0.03 0.00 1.25 0.00 0.00 34.83 33.38 1wh0 s MET 14 CO 0.29 0.39 -0.02 0.08 1.05 0.00 0.00 175.02 176.81 1wh0 s VAL 15 N -1.93 4.08 -0.23 10.11 1.01 0.17 -4.98 120.40 128.63 1wh0 s VAL 15 Ca 0.37 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.94 1wh0 s VAL 15 Cb -0.10 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1wh0 s VAL 15 CO 0.30 0.60 0.09 0.20 0.00 0.00 0.00 175.10 176.29 1wh0 s ASN 16 N -0.77 5.47 0.76 3.32 0.01 -1.26 -0.25 114.94 122.22 1wh0 s ASN 16 Ca 0.12 -0.07 -0.11 0.00 -0.71 0.00 0.00 52.86 52.08 1wh0 s ASN 16 Cb -0.11 -1.98 0.05 0.00 0.41 0.00 0.00 41.25 39.62 1wh0 s ASN 16 CO 0.02 0.03 1.09 -0.76 -1.51 0.00 0.00 177.10 175.97 1wh0 s LEU 17 N 1.24 2.73 0.00 0.60 1.43 0.40 -4.88 118.68 120.21 1wh0 s LEU 17 Ca 0.05 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 1wh0 s LEU 17 Cb -0.14 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.07 1wh0 s LEU 17 CO 0.04 -1.77 0.00 0.00 0.23 0.00 0.00 176.35 174.85 1wh0 n ALA 18 N -3.30 1.92 -3.50 4.21 0.00 -1.26 -4.73 120.51 113.84 1wh0 n ALA 18 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.43 1wh0 n ALA 18 Cb 0.56 0.29 -0.08 0.00 0.00 0.00 0.00 19.45 20.22 1wh0 n ALA 18 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1wh0 s PHE 19 N -1.88 -0.85 -0.17 0.00 5.36 -1.26 -5.08 117.98 114.09 1wh0 s PHE 19 Ca 0.00 1.24 -0.02 0.00 -0.96 0.00 0.00 56.93 57.20 1wh0 s PHE 19 Cb 0.00 0.20 -0.01 0.00 -0.34 0.00 0.00 43.02 42.87 1wh0 s PHE 19 CO 0.00 -0.60 -0.10 0.08 -1.46 0.00 0.00 175.22 173.13 1wh0 s VAL 20 N 2.60 3.07 -0.27 3.12 1.01 -1.26 -5.06 120.40 123.61 1wh0 s VAL 20 Ca 0.06 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 1wh0 s VAL 20 Cb -0.14 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1wh0 s VAL 20 CO -0.14 0.48 2.24 -0.75 0.00 0.00 0.00 175.10 176.93 1wh0 s LYS 21 N 0.93 2.95 0.16 2.72 2.36 -1.26 -4.91 119.74 122.69 1wh0 s LYS 21 Ca -0.02 1.90 -0.16 0.00 -2.55 0.00 0.00 55.97 55.15 1wh0 s LYS 21 Cb -0.15 -4.41 0.03 0.00 -1.05 0.00 0.00 37.83 32.25 1wh0 s LYS 21 CO -0.00 -2.31 0.43 0.54 1.55 0.00 0.00 175.35 175.56 1wh0 s ASN 22 N 8.93 -0.20 -0.05 1.43 6.03 -1.26 -0.35 114.94 129.47 1wh0 s ASN 22 Ca 1.00 -0.47 -0.01 0.00 -1.03 0.00 0.00 52.86 52.35 1wh0 s ASN 22 Cb -0.30 0.51 0.03 0.00 -3.03 0.00 0.00 41.25 38.46 1wh0 s ASN 22 CO 0.33 -0.94 0.01 -0.62 -2.03 0.00 0.00 177.10 173.85 1wh0 s ASP 23 N -2.86 1.03 -0.10 3.54 2.15 0.13 -4.93 116.67 115.63 1wh0 s ASP 23 Ca 0.08 -0.03 0.03 0.00 0.43 0.00 0.00 52.55 53.06 1wh0 s ASP 23 Cb 0.01 -0.29 -0.01 0.00 -0.30 0.00 0.00 42.92 42.33 1wh0 s ASP 23 CO -0.06 -0.17 -0.20 -0.94 -0.17 0.00 0.00 175.17 173.63 1wh0 s SER 24 N 1.61 3.41 0.16 -0.34 1.04 -1.26 0.09 113.70 118.42 1wh0 s SER 24 Ca -0.01 -0.47 0.08 0.00 0.48 0.00 0.00 55.95 56.03 1wh0 s SER 24 Cb -0.13 -1.41 -0.04 0.00 0.10 0.00 0.00 66.02 64.54 1wh0 s SER 24 CO -0.03 0.17 -0.10 -0.72 0.98 0.00 0.00 173.24 173.55 1wh0 s TYR 25 N 0.27 2.66 -0.53 5.02 -0.85 -0.69 -4.98 117.35 118.25 1wh0 s TYR 25 Ca -0.14 -0.21 -0.28 0.00 -0.52 0.00 0.00 57.07 55.92 1wh0 s TYR 25 Cb -0.17 -1.32 0.00 0.00 0.38 0.00 0.00 41.96 40.85 1wh0 s TYR 25 CO 0.07 0.49 1.55 -1.21 -1.52 0.00 0.00 175.55 174.93 1wh0 s GLU 26 N -2.69 3.20 0.09 -3.49 2.02 -1.26 -2.71 118.70 113.85 1wh0 s GLU 26 Ca 0.24 0.64 0.01 0.00 0.02 0.00 0.00 54.97 55.88 1wh0 s GLU 26 Cb -0.09 -4.18 -0.04 0.00 0.10 0.00 0.00 34.13 29.92 1wh0 s GLU 26 CO 0.15 -2.05 0.21 0.21 0.02 0.00 0.00 175.26 173.79 1wh0 s LYS 27 N 5.77 3.34 0.12 1.61 2.20 -0.24 -4.98 119.74 127.57 1wh0 s LYS 27 Ca 0.59 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1wh0 s LYS 27 Cb -0.13 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 1wh0 s LYS 27 CO 0.26 0.58 0.00 0.41 -0.36 0.00 0.00 175.35 176.23 1wh0 n GLY 28 N 0.08 0.25 0.09 5.54 0.00 -1.26 -1.06 105.19 108.83 1wh0 n GLY 28 Ca -0.06 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.11 0.00 1.61 0.13 -2.03 -3.36 132.00 128.24 1wh0 h PRO 29 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1wh0 h PRO 29 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1wh0 h PRO 29 CO 0.00 0.33 -0.08 -0.40 -0.23 0.00 0.00 178.00 177.62 1wh0 n ASP 30 N -4.92 1.91 -4.89 1.44 5.75 -1.26 -4.76 116.55 109.82 1wh0 n ASP 30 Ca -0.09 -2.82 -0.31 0.00 -0.01 0.00 0.00 54.79 51.56 1wh0 n ASP 30 Cb 0.25 -0.36 -0.04 0.00 -1.03 0.00 0.00 41.12 39.94 1wh0 n ASP 30 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1wh0 s SER 31 N -2.43 6.53 -0.25 -1.12 0.01 -0.23 -0.21 113.70 116.00 1wh0 s SER 31 Ca 0.25 0.75 -0.02 0.00 1.31 0.00 0.00 55.95 58.23 1wh0 s SER 31 Cb 0.21 -2.15 0.13 0.00 0.21 0.00 0.00 66.02 64.42 1wh0 s SER 31 CO 0.02 -0.07 0.37 -0.69 0.41 0.00 0.00 173.24 173.28 1wh0 s VAL 32 N -1.84 -0.57 0.06 3.43 1.01 -0.54 -1.08 120.40 120.87 1wh0 s VAL 32 Ca 0.44 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 1wh0 s VAL 32 Cb -0.11 -0.84 -0.06 0.00 0.00 0.00 0.00 36.38 35.36 1wh0 s VAL 32 CO 0.25 -0.17 0.53 -0.69 0.00 0.00 0.00 175.10 175.01 1wh0 s VAL 33 N 2.52 4.82 -0.08 2.92 1.01 -1.10 -0.61 120.40 129.87 1wh0 s VAL 33 Ca 0.12 1.10 0.04 0.00 0.00 0.00 0.00 61.98 63.23 1wh0 s VAL 33 Cb -0.15 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 1wh0 s VAL 33 CO -0.19 0.54 -0.22 -0.69 0.00 0.00 0.00 175.10 174.54 1wh0 s VAL 34 N -1.13 1.90 -0.33 2.92 1.01 -0.66 -1.71 120.40 122.40 1wh0 s VAL 34 Ca 0.28 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 1wh0 s VAL 34 Cb -0.18 -1.64 0.06 0.00 0.00 0.00 0.00 36.38 34.62 1wh0 s VAL 34 CO 0.18 0.53 0.06 -1.00 0.00 0.00 0.00 175.10 174.86 1wh0 s HIS 35 N 0.26 3.34 -0.16 5.22 3.76 0.11 -2.24 115.29 125.58 1wh0 s HIS 35 Ca -0.14 -1.94 -0.15 0.00 -0.15 0.00 0.00 55.06 52.68 1wh0 s HIS 35 Cb -0.16 -2.39 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 1wh0 s HIS 35 CO 0.07 -0.83 0.35 0.08 -0.85 0.00 0.00 174.74 173.55 1wh0 s VAL 36 N 1.25 5.27 -0.53 -0.90 1.01 -0.49 0.20 120.40 126.20 1wh0 s VAL 36 Ca -0.01 0.65 -0.25 0.00 0.00 0.00 0.00 61.98 62.37 1wh0 s VAL 36 Cb -0.20 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1wh0 s VAL 36 CO -0.01 0.35 0.97 -0.31 0.00 0.00 0.00 175.10 176.10 1wh0 s TYR 37 N 0.63 2.81 -0.22 5.22 1.51 0.53 -1.28 117.35 126.55 1wh0 s TYR 37 Ca 0.19 0.16 -0.31 0.00 -1.01 0.00 0.00 57.07 56.10 1wh0 s TYR 37 Cb -0.14 -4.10 0.16 0.00 -0.11 0.00 0.00 41.96 37.77 1wh0 s TYR 37 CO 0.06 -1.31 1.21 0.54 -1.11 0.00 0.00 175.55 174.94 1wh0 s VAL 38 N 4.03 0.00 0.32 0.71 0.11 -1.01 -4.75 120.40 119.80 1wh0 s VAL 38 Ca 0.34 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.45 1wh0 s VAL 38 Cb -0.11 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1wh0 s VAL 38 CO 0.22 0.00 0.22 0.29 -3.33 0.00 0.00 175.10 172.50 1wh0 n LYS 39 N 0.42 0.44 -3.95 1.54 5.02 -1.26 -3.09 118.16 117.27 1wh0 n LYS 39 Ca -0.03 -3.06 -0.30 0.00 -2.02 0.00 0.00 58.31 52.90 1wh0 n LYS 39 Cb 0.58 2.26 0.01 0.00 -0.02 0.00 0.00 35.03 37.87 1wh0 n LYS 39 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wh0 n GLU 40 N -0.65 -4.70 -3.71 1.97 -0.58 -1.26 -3.67 120.64 108.05 1wh0 n GLU 40 Ca 0.03 0.53 -0.33 0.00 -0.42 0.00 0.00 57.16 56.98 1wh0 n GLU 40 Cb 0.55 -5.25 -0.05 0.00 -0.57 0.00 0.00 31.44 26.12 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 -3.43 5.22 -0.50 -3.67 1.01 -1.26 -0.21 121.20 118.35 1wh0 s ILE 41 Ca 0.50 0.12 -0.16 0.00 0.00 0.00 0.00 60.65 61.11 1wh0 s ILE 41 Cb -0.26 -3.61 0.09 0.00 0.01 0.00 0.00 42.46 38.69 1wh0 s ILE 41 CO 0.85 0.20 0.47 0.00 0.00 0.00 0.00 174.94 176.47 1wh0 n ARG 43 N 5.40 0.09 0.12 0.00 1.74 -1.26 -0.59 116.66 122.16 1wh0 n ARG 43 Ca -0.12 0.48 -0.22 0.00 -0.77 0.00 0.00 57.85 57.21 1wh0 n ARG 43 Cb 0.43 -1.74 -0.15 0.00 -1.02 0.00 0.00 32.46 29.98 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 0.68 -0.38 0.55 3.32 -2.00 -3.33 116.42 115.27 1wh0 h ASP 44 Ca 0.00 -0.80 0.00 0.00 0.02 0.00 0.00 57.03 56.25 1wh0 h ASP 44 Cb 0.14 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1wh0 h ASP 44 CO 0.00 1.64 0.00 0.35 -1.72 0.00 0.00 179.24 179.51 1wh0 n THR 45 N -3.63 1.82 -4.08 0.35 -2.24 -0.80 -4.91 114.28 100.78 1wh0 n THR 45 Ca -0.17 -1.44 -0.33 0.00 -2.27 0.00 0.00 64.05 59.84 1wh0 n THR 45 Cb 1.08 0.06 -0.15 0.00 -2.10 0.00 0.00 70.33 69.21 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 -1.37 3.58 0.38 3.42 0.01 0.24 -4.27 113.70 115.68 1wh0 s SER 46 Ca 0.39 -0.80 0.04 0.00 1.31 0.00 0.00 55.95 56.89 1wh0 s SER 46 Cb 0.27 -1.53 -0.05 0.00 0.21 0.00 0.00 66.02 64.93 1wh0 s SER 46 CO 0.15 -0.05 0.07 0.00 0.41 0.00 0.00 173.24 173.82 1wh0 s ARG 47 N 1.27 1.81 -0.06 12.44 1.04 0.49 -4.78 118.95 131.18 1wh0 s ARG 47 Ca 0.02 -2.06 -0.02 0.00 -1.04 0.00 0.00 55.73 52.63 1wh0 s ARG 47 Cb -0.15 -0.89 0.03 0.00 -2.04 0.00 0.00 34.95 31.91 1wh0 s ARG 47 CO -0.10 -0.29 0.07 0.08 -0.04 0.00 0.00 175.30 175.02 1wh0 s VAL 48 N -3.20 -0.12 -0.36 4.99 1.01 -1.26 -0.24 120.40 121.22 1wh0 s VAL 48 Ca 0.29 0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.48 1wh0 s VAL 48 Cb 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.24 1wh0 s VAL 48 CO 0.14 0.13 0.38 -0.76 0.00 0.00 0.00 175.10 175.00 1wh0 s LEU 49 N 2.18 4.51 -0.44 3.92 1.43 0.95 -4.97 118.68 126.25 1wh0 s LEU 49 Ca 0.05 -0.30 -0.19 0.00 -1.03 0.00 0.00 54.13 52.65 1wh0 s LEU 49 Cb -0.12 -2.36 0.03 0.00 0.03 0.00 0.00 46.19 43.76 1wh0 s LEU 49 CO -0.04 -0.39 0.57 -0.36 0.23 0.00 0.00 176.35 176.36 1wh0 s PHE 50 N 2.06 3.10 0.60 0.29 0.08 -1.26 0.08 117.98 122.92 1wh0 s PHE 50 Ca 0.12 -0.22 -0.01 0.00 0.12 0.00 0.00 56.93 56.94 1wh0 s PHE 50 Cb -0.17 -3.21 0.12 0.00 -0.57 0.00 0.00 43.02 39.19 1wh0 s PHE 50 CO 0.12 -0.83 0.82 0.54 -0.10 0.00 0.00 175.22 175.77 1wh0 n ARG 51 N 6.03 -0.04 0.08 0.44 5.12 0.47 -4.61 116.66 124.14 1wh0 n ARG 51 Ca -0.04 -2.17 -0.22 0.00 -1.93 0.00 0.00 57.85 53.49 1wh0 n ARG 51 Cb 0.47 -0.57 -0.15 0.00 -1.16 0.00 0.00 32.46 31.05 1wh0 n ARG 51 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1wh0 h GLU 52 N 0.00 0.38 -0.08 5.56 4.11 -1.97 -3.35 114.58 119.23 1wh0 h GLU 52 Ca -0.27 -0.66 -0.01 0.00 0.07 0.00 0.00 59.36 58.49 1wh0 h GLU 52 Cb 0.99 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1wh0 h GLU 52 CO 0.28 1.31 -0.06 0.94 0.07 0.00 0.00 179.01 181.56 1wh0 n GLN 53 N -3.85 1.73 -3.93 1.06 7.27 -1.26 0.47 117.38 118.86 1wh0 n GLN 53 Ca -0.19 -2.76 -0.01 0.00 0.07 0.00 0.00 57.00 54.11 1wh0 n GLN 53 Cb 0.98 -1.61 0.02 0.00 2.41 0.00 0.00 30.24 32.03 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 -1.17 -1.52 -3.39 1.69 5.75 -1.26 -2.16 116.55 114.49 1wh0 n ASP 54 Ca 0.19 -1.64 0.01 0.00 -0.01 0.00 0.00 54.79 53.34 1wh0 n ASP 54 Cb 0.73 2.44 -0.03 0.00 -1.03 0.00 0.00 41.12 43.23 1wh0 n ASP 54 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1wh0 s PHE 55 N -2.06 -1.46 0.06 2.11 -0.12 -1.11 -0.40 117.98 115.01 1wh0 s PHE 55 Ca 0.26 1.99 -0.11 0.00 -0.05 0.00 0.00 56.93 59.02 1wh0 s PHE 55 Cb -0.02 0.67 -0.06 0.00 -0.63 0.00 0.00 43.02 42.98 1wh0 s PHE 55 CO 0.03 -0.77 0.40 0.99 -0.05 0.00 0.00 175.22 175.82 1wh0 s THR 56 N 2.87 5.08 -0.25 -4.49 2.01 0.11 -2.93 115.64 118.03 1wh0 s THR 56 Ca 0.08 0.54 -0.00 0.00 0.31 0.00 0.00 61.69 62.62 1wh0 s THR 56 Cb -0.14 -3.66 0.07 0.00 0.01 0.00 0.00 72.50 68.79 1wh0 s THR 56 CO -0.20 0.35 0.01 -0.22 -0.69 0.00 0.00 174.62 173.87 1wh0 s LEU 57 N -1.73 2.41 -0.27 4.42 2.96 -0.18 -0.04 118.68 126.25 1wh0 s LEU 57 Ca 0.31 -1.29 -0.08 0.00 -0.22 0.00 0.00 54.13 52.84 1wh0 s LEU 57 Cb -0.14 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.49 1wh0 s LEU 57 CO 0.17 -0.30 0.11 -0.63 -1.32 0.00 0.00 176.35 174.38 1wh0 s ILE 58 N 1.49 4.51 -0.09 6.68 1.09 0.66 -1.20 121.20 134.35 1wh0 s ILE 58 Ca 0.00 -0.22 -0.17 0.00 -1.10 0.00 0.00 60.65 59.16 1wh0 s ILE 58 Cb -0.18 -3.18 0.04 0.00 -1.06 0.00 0.00 42.46 38.08 1wh0 s ILE 58 CO -0.11 0.24 0.41 0.72 -0.10 0.00 0.00 174.94 176.10 1wh0 s PHE 59 N 1.63 -0.38 -0.41 3.97 -0.12 -0.85 0.19 117.98 122.01 1wh0 s PHE 59 Ca 0.06 0.81 -0.11 0.00 -0.05 0.00 0.00 56.93 57.63 1wh0 s PHE 59 Cb -0.16 0.17 0.05 0.00 -0.63 0.00 0.00 43.02 42.45 1wh0 s PHE 59 CO 0.05 -0.34 0.26 -0.65 -0.05 0.00 0.00 175.22 174.50 1wh0 s GLN 60 N -0.54 2.79 -0.01 1.99 -0.21 -1.26 -3.20 119.66 119.21 1wh0 s GLN 60 Ca -0.07 -1.24 -0.08 0.00 0.02 0.00 0.00 55.36 54.00 1wh0 s GLN 60 Cb -0.04 -3.83 -0.05 0.00 1.00 0.00 0.00 33.01 30.10 1wh0 s GLN 60 CO 0.03 -0.84 0.27 -0.08 -2.12 0.00 0.00 175.29 172.55 1wh0 s THR 61 N 1.54 5.30 -0.21 -0.19 -1.32 -1.26 -2.04 115.64 117.46 1wh0 s THR 61 Ca 0.03 0.27 0.05 0.00 -1.21 0.00 0.00 61.69 60.82 1wh0 s THR 61 Cb -0.21 -3.56 0.11 0.00 -1.51 0.00 0.00 72.50 67.33 1wh0 s THR 61 CO 0.06 0.43 1.08 0.54 -2.21 0.00 0.00 174.62 174.52 1wh0 n ARG 62 N 1.34 2.77 -2.48 7.08 1.74 0.71 -4.24 116.66 123.58 1wh0 n ARG 62 Ca -0.13 -1.79 -0.43 0.00 -0.77 0.00 0.00 57.85 54.74 1wh0 n ARG 62 Cb 0.53 -1.14 -0.02 0.00 -1.02 0.00 0.00 32.46 30.80 1wh0 n ARG 62 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wh0 s ASP 63 N -1.26 7.03 0.57 0.55 2.15 -1.24 -4.89 116.67 119.57 1wh0 s ASP 63 Ca 0.10 1.69 0.26 0.00 0.43 0.00 0.00 52.55 55.03 1wh0 s ASP 63 Cb 0.07 -2.55 1.53 0.00 -0.30 0.00 0.00 42.92 41.68 1wh0 s ASP 63 CO 0.04 -0.66 2.07 1.23 -0.17 0.00 0.00 175.17 177.68 1wh0 h GLY 64 N 8.97 0.00 1.62 2.66 0.00 -1.95 0.35 103.07 114.72 1wh0 h GLY 64 Ca -0.29 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 1wh0 h GLY 64 CO 0.93 0.00 -0.42 3.43 0.00 0.00 0.00 176.54 180.48 1wh0 h ASN 65 N 0.00 0.44 0.43 0.19 2.35 -1.99 0.49 115.58 117.50 1wh0 h ASN 65 Ca 0.12 -0.20 -0.30 0.00 -0.55 0.00 0.00 56.30 55.37 1wh0 h ASN 65 Cb 0.59 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.78 1wh0 h ASN 65 CO -0.00 0.81 -1.77 0.33 -1.65 0.00 0.00 177.43 175.15 1wh0 n PHE 66 N -4.02 0.97 -0.01 1.19 -0.00 -0.11 -4.17 117.46 111.31 1wh0 n PHE 66 Ca -0.02 0.34 -0.12 0.00 -0.00 0.00 0.00 57.45 57.65 1wh0 n PHE 66 Cb 0.51 -1.17 -0.10 0.00 -0.00 0.00 0.00 39.48 38.71 1wh0 n PHE 66 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1wh0 h LEU 67 N 0.01 -0.06 -1.30 -2.13 3.38 -0.39 -3.24 115.31 111.58 1wh0 h LEU 67 Ca -0.31 -0.58 0.39 0.00 0.09 0.00 0.00 57.88 57.47 1wh0 h LEU 67 Cb 2.03 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 42.66 1wh0 h LEU 67 CO 0.08 0.60 0.75 0.08 0.09 0.00 0.00 178.44 180.03 1wh0 h ARG 68 N -0.77 0.16 -0.88 1.13 0.11 -1.09 0.93 114.38 113.97 1wh0 h ARG 68 Ca -0.01 -0.01 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 1wh0 h ARG 68 Cb 0.63 -0.04 -0.04 0.00 1.11 0.00 0.00 29.97 31.64 1wh0 h ARG 68 CO 0.01 0.11 0.49 -0.07 0.10 0.00 0.00 179.97 180.61 1wh0 h LEU 69 N 0.17 1.10 -7.86 0.08 3.38 -1.72 -3.35 115.31 107.11 1wh0 h LEU 69 Ca 0.77 -0.10 -0.75 0.00 0.09 0.00 0.00 57.88 57.90 1wh0 h LEU 69 Cb 2.23 -0.28 -0.28 0.00 0.09 0.00 0.00 40.66 42.42 1wh0 h LEU 69 CO -0.46 0.88 -0.17 -1.00 0.09 0.00 0.00 178.44 177.78 1wh0 s HIS 70 N -5.86 3.52 0.59 1.13 3.76 0.32 -5.07 115.29 113.68 1wh0 s HIS 70 Ca -0.13 -1.97 -0.18 0.00 -0.15 0.00 0.00 55.06 52.63 1wh0 s HIS 70 Cb 0.17 -3.62 -0.04 0.00 1.11 0.00 0.00 32.58 30.20 1wh0 s HIS 70 CO 0.82 -0.97 1.12 -1.25 -0.85 0.00 0.00 174.74 173.62 1wh0 s PRO 71 N 0.69 3.15 0.00 8.40 0.04 -1.26 -3.31 135.00 142.72 1wh0 s PRO 71 Ca 0.12 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.69 1wh0 s PRO 71 Cb -0.20 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1wh0 s PRO 71 CO -0.04 -1.00 0.00 0.41 0.04 0.00 0.00 177.00 176.42 1wh0 n GLY 72 N -0.09 3.01 3.97 0.56 0.00 -1.26 -5.00 105.19 106.37 1wh0 n GLY 72 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.98 3.32 0.23 0.00 0.00 -1.26 -5.00 105.19 100.49 1wh0 n GLY 74 Ca 0.08 -1.00 0.10 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 -0.76 1.61 0.13 -1.91 -2.70 132.00 128.37 1wh0 h PRO 75 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 1wh0 h PRO 75 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1wh0 h PRO 75 CO 0.00 0.21 0.18 -2.39 -0.23 0.00 0.00 178.00 175.76 1wh0 n HIS 76 N -3.46 2.02 -4.17 1.56 1.44 -1.26 -4.59 115.22 106.76 1wh0 n HIS 76 Ca -0.00 -0.94 -0.34 0.00 -2.01 0.00 0.00 57.72 54.43 1wh0 n HIS 76 Cb 0.38 -0.57 -0.12 0.00 0.12 0.00 0.00 29.99 29.80 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 -2.58 4.01 0.05 0.61 2.01 -1.02 -5.09 115.64 113.64 1wh0 s THR 77 Ca 0.47 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.86 1wh0 s THR 77 Cb 0.37 -2.80 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 1wh0 s THR 77 CO 0.12 0.45 1.14 -0.89 -0.69 0.00 0.00 174.62 174.75 1wh0 s THR 78 N 0.76 4.24 -0.19 -0.82 2.01 -1.26 -4.60 115.64 115.78 1wh0 s THR 78 Ca -0.00 1.62 -0.01 0.00 0.31 0.00 0.00 61.69 63.61 1wh0 s THR 78 Cb -0.14 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.33 1wh0 s THR 78 CO 0.02 0.13 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.60 1wh0 s PHE 79 N 0.98 2.85 -0.21 4.92 0.08 -1.20 0.42 117.98 125.82 1wh0 s PHE 79 Ca 0.56 -1.15 -0.03 0.00 0.12 0.00 0.00 56.93 56.43 1wh0 s PHE 79 Cb -0.27 -1.98 -0.01 0.00 -0.57 0.00 0.00 43.02 40.19 1wh0 s PHE 79 CO 0.29 -0.58 -0.05 0.50 -0.10 0.00 0.00 175.22 175.28 1wh0 s ARG 80 N 1.18 3.36 -0.41 0.44 3.52 0.65 -2.01 118.95 125.68 1wh0 s ARG 80 Ca 0.02 -0.64 -0.05 0.00 -0.13 0.00 0.00 55.73 54.93 1wh0 s ARG 80 Cb -0.14 -2.98 0.10 0.00 -1.56 0.00 0.00 34.95 30.37 1wh0 s ARG 80 CO -0.05 -0.18 0.22 -0.46 -0.81 0.00 0.00 175.30 174.02 1wh0 s TRP 81 N 1.42 3.49 -0.16 5.12 -0.00 -0.34 -0.45 118.94 128.02 1wh0 s TRP 81 Ca 0.05 -2.13 -0.13 0.00 -0.00 0.00 0.00 56.10 53.89 1wh0 s TRP 81 Cb -0.14 -3.14 -0.05 0.00 -0.00 0.00 0.00 33.47 30.14 1wh0 s TRP 81 CO -0.03 -0.94 0.27 -1.14 -0.00 0.00 0.00 176.95 175.11 1wh0 s GLN 82 N 1.23 4.22 -0.09 5.86 0.74 -1.26 -1.01 119.66 129.36 1wh0 s GLN 82 Ca 0.06 0.06 0.04 0.00 0.05 0.00 0.00 55.36 55.57 1wh0 s GLN 82 Cb -0.23 -3.42 -0.00 0.00 1.10 0.00 0.00 33.01 30.46 1wh0 s GLN 82 CO -0.02 0.27 -0.23 0.08 -0.55 0.00 0.00 175.29 174.83 1wh0 s VAL 83 N 0.39 1.98 -0.48 1.34 1.01 -1.15 -5.02 120.40 118.47 1wh0 s VAL 83 Ca 0.16 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 1wh0 s VAL 83 Cb -0.13 -1.70 0.04 0.00 0.00 0.00 0.00 36.38 34.59 1wh0 s VAL 83 CO 0.03 0.54 0.66 -0.75 0.00 0.00 0.00 175.10 175.59 1wh0 s LYS 84 N 0.27 3.20 -0.26 2.72 2.20 -1.26 -2.74 119.74 123.86 1wh0 s LYS 84 Ca -0.16 -0.62 -0.24 0.00 -0.36 0.00 0.00 55.97 54.59 1wh0 s LYS 84 Cb -0.17 -4.03 -0.00 0.00 -1.51 0.00 0.00 37.83 32.11 1wh0 s LYS 84 CO 0.08 -1.17 0.83 -0.51 -0.36 0.00 0.00 175.35 174.22 1wh0 s LEU 85 N 2.85 4.07 0.12 5.43 1.43 -0.92 -1.11 118.68 130.55 1wh0 s LEU 85 Ca 0.20 0.94 -0.32 0.00 -1.03 0.00 0.00 54.13 53.92 1wh0 s LEU 85 Cb -0.16 -3.18 -0.10 0.00 0.03 0.00 0.00 46.19 42.78 1wh0 s LEU 85 CO 0.15 -0.56 1.57 0.03 0.23 0.00 0.00 176.35 177.77 1wh0 h ARG 86 N 7.81 -0.54 -6.24 1.70 2.47 -1.85 -3.42 114.38 114.31 1wh0 h ARG 86 Ca -0.23 0.04 -0.57 0.00 -1.26 0.00 0.00 59.98 57.96 1wh0 h ARG 86 Cb 1.09 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 29.50 1wh0 h ARG 86 CO 0.88 -0.36 -0.27 1.21 0.56 0.00 0.00 179.97 181.99 1wh0 s ASN 87 N -4.84 6.51 1.05 7.04 3.84 -1.26 -5.08 114.94 122.20 1wh0 s ASN 87 Ca -0.16 0.65 -0.12 0.00 0.21 0.00 0.00 52.86 53.44 1wh0 s ASN 87 Cb 0.08 -2.11 0.20 0.00 -0.55 0.00 0.00 41.25 38.87 1wh0 s ASN 87 CO 0.62 0.01 0.98 0.18 -2.79 0.00 0.00 177.10 176.11 1wh0 n LEU 88 N -0.04 0.68 0.00 3.21 4.77 -1.26 -4.85 117.00 119.51 1wh0 n LEU 88 Ca -0.02 0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.96 1wh0 n LEU 88 Cb 0.52 -1.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.23 1wh0 n LEU 88 CO 0.48 -2.81 0.01 2.30 -1.33 0.00 0.00 177.39 176.04 1wh0 n ILE 89 N -4.56 0.00 -3.93 -0.08 -5.35 0.18 -3.90 119.36 101.71 1wh0 n ILE 89 Ca 0.07 -1.57 -0.31 0.00 -0.27 0.00 0.00 62.75 60.67 1wh0 n ILE 89 Cb 0.53 0.85 -0.14 0.00 -1.74 0.00 0.00 39.64 39.15 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 -2.82 1.97 0.50 6.28 2.02 0.21 -4.73 118.70 122.14 1wh0 s GLU 90 Ca 0.26 -2.50 0.29 0.00 0.02 0.00 0.00 54.97 53.04 1wh0 s GLU 90 Cb 0.01 -3.35 1.21 0.00 0.10 0.00 0.00 34.13 32.10 1wh0 s GLU 90 CO 0.18 -1.09 1.94 -1.00 0.02 0.00 0.00 175.26 175.31 1wh0 h PRO 91 N 6.73 0.00 0.00 0.39 0.13 -1.82 -2.30 132.00 135.13 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 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1wh0 h PRO 91 CO 0.67 0.12 0.00 0.39 -0.23 0.00 0.00 178.00 178.94 1wh0 n GLU 92 N -3.30 0.17 -0.00 0.86 1.02 -1.26 -2.60 120.64 115.53 1wh0 n GLU 92 Ca -0.00 0.45 0.02 0.00 -0.02 0.00 0.00 57.16 57.62 1wh0 n GLU 92 Cb 0.34 -1.86 -0.04 0.00 -0.02 0.00 0.00 31.44 29.87 1wh0 n GLU 92 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1wh0 n GLN 93 N -2.18 0.23 -0.83 3.49 6.02 -1.01 -5.05 117.38 118.05 1wh0 n GLN 93 Ca 0.01 -0.04 -0.33 0.00 -0.01 0.00 0.00 57.00 56.63 1wh0 n GLN 93 Cb 0.18 -1.10 0.12 0.00 1.02 0.00 0.00 30.24 30.46 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 -2.37 0.04 -0.08 0.00 -4.23 -0.53 -5.00 115.64 103.47 1wh0 s THR 95 Ca 0.59 -0.31 -0.00 0.00 -1.18 0.00 0.00 61.69 60.78 1wh0 s THR 95 Cb -0.22 -0.31 0.02 0.00 1.34 0.00 0.00 72.50 73.33 1wh0 s THR 95 CO 0.66 -0.17 -0.04 0.72 -0.54 0.00 0.00 174.62 175.24 1wh0 s PHE 96 N -0.56 0.99 -0.15 3.99 -0.12 -1.26 -1.11 117.98 119.76 1wh0 s PHE 96 Ca -0.07 -0.38 -0.11 0.00 -0.05 0.00 0.00 56.93 56.32 1wh0 s PHE 96 Cb -0.04 -0.92 0.04 0.00 -0.63 0.00 0.00 43.02 41.47 1wh0 s PHE 96 CO 0.01 -0.35 0.37 0.00 -0.05 0.00 0.00 175.22 175.20 1wh0 s PHE 98 N 0.59 3.50 0.09 0.00 0.40 -1.26 -0.28 117.98 121.02 1wh0 s PHE 98 Ca -0.03 1.35 0.00 0.00 -0.60 0.00 0.00 56.93 57.65 1wh0 s PHE 98 Cb -0.05 -2.71 -0.00 0.00 0.51 0.00 0.00 43.02 40.77 1wh0 s PHE 98 CO -0.04 -0.40 0.02 0.25 0.70 0.00 0.00 175.22 175.75 1wh0 n THR 99 N -1.83 0.00 0.00 0.64 -2.24 0.39 -4.80 114.28 106.44 1wh0 n THR 99 Ca 0.06 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1wh0 n THR 99 Cb 0.54 0.14 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 -2.65 0.00 -1.46 6.98 0.00 -1.26 -3.65 120.51 118.47 1wh0 n ALA 100 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.47 1wh0 n ALA 100 Cb 0.12 0.27 0.12 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.47 1.65 -3.83 0.00 3.41 -1.26 -4.88 113.62 107.23 1wh0 n SER 101 Ca 0.00 -2.94 -0.09 0.00 -0.26 0.00 0.00 58.87 55.58 1wh0 n SER 101 Cb 0.00 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 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 -2.14 1.04 -0.10 4.33 1.70 -1.18 -2.41 118.95 120.19 1wh0 s ARG 102 Ca 0.27 -0.96 -0.02 0.00 -0.47 0.00 0.00 55.73 54.54 1wh0 s ARG 102 Cb 0.25 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.99 1wh0 s ARG 102 CO -0.01 -0.38 -0.01 0.42 -1.08 0.00 0.00 175.30 174.24 1wh0 s ILE 103 N -3.88 4.19 -0.17 4.99 1.01 -0.40 0.15 121.20 127.08 1wh0 s ILE 103 Ca 0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 1wh0 s ILE 103 Cb 0.03 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 1wh0 s ILE 103 CO -0.07 0.58 -0.05 -0.62 0.00 0.00 0.00 174.94 174.78 1wh0 s ASP 104 N -0.57 4.62 -0.21 3.58 -1.08 0.61 -1.39 116.67 122.22 1wh0 s ASP 104 Ca 0.09 -0.21 -0.02 0.00 -0.52 0.00 0.00 52.55 51.89 1wh0 s ASP 104 Cb -0.12 -1.76 0.06 0.00 -1.46 0.00 0.00 42.92 39.65 1wh0 s ASP 104 CO 0.02 0.12 0.03 -0.63 0.52 0.00 0.00 175.17 175.23 1wh0 s ILE 105 N 0.63 0.68 -0.33 4.11 1.01 -0.95 -1.13 121.20 125.21 1wh0 s ILE 105 Ca -0.03 -0.70 -0.21 0.00 0.00 0.00 0.00 60.65 59.71 1wh0 s ILE 105 Cb -0.15 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.15 1wh0 s ILE 105 CO 0.02 -0.23 0.67 0.00 0.00 0.00 0.00 174.94 175.41 1wh0 s LEU 107 N 2.76 3.67 -0.43 0.00 1.43 0.22 -1.46 118.68 124.88 1wh0 s LEU 107 Ca 0.27 -0.01 -0.15 0.00 -1.03 0.00 0.00 54.13 53.21 1wh0 s LEU 107 Cb -0.14 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.18 1wh0 s LEU 107 CO 0.14 0.12 0.33 -0.60 0.23 0.00 0.00 176.35 176.57 1wh0 s ARG 108 N 0.67 2.96 0.64 1.70 6.06 -1.26 -1.46 118.95 128.26 1wh0 s ARG 108 Ca 0.03 -1.14 -0.15 0.00 -2.50 0.00 0.00 55.73 51.98 1wh0 s ARG 108 Cb -0.13 -4.02 -0.01 0.00 0.06 0.00 0.00 34.95 30.85 1wh0 s ARG 108 CO 0.02 -0.84 1.08 0.15 -2.50 0.00 0.00 175.30 173.21 1wh0 s LYS 109 N 1.66 3.02 -0.04 5.12 1.02 0.71 0.67 119.74 131.90 1wh0 s LYS 109 Ca 0.05 1.24 -0.15 0.00 0.02 0.00 0.00 55.97 57.13 1wh0 s LYS 109 Cb -0.21 -1.99 -0.32 0.00 -0.52 0.00 0.00 37.83 34.80 1wh0 s LYS 109 CO 0.09 -1.05 0.77 0.00 -0.92 0.00 0.00 175.35 174.23 1wh0 h ARG 110 N 0.07 0.40 -4.95 1.68 3.08 -1.85 -3.43 114.38 109.37 1wh0 h ARG 110 Ca -0.46 -0.68 -0.50 0.00 0.07 0.00 0.00 59.98 58.41 1wh0 h ARG 110 Cb 1.23 0.25 -0.31 0.00 0.08 0.00 0.00 29.97 31.22 1wh0 h ARG 110 CO 0.56 1.33 -0.81 -0.65 -1.07 0.00 0.00 179.97 179.32 1wh0 s GLN 111 N -2.54 1.37 -1.12 0.04 -0.21 -1.26 -5.06 119.66 110.88 1wh0 s GLN 111 Ca -0.14 -0.46 -0.22 0.00 0.02 0.00 0.00 55.36 54.56 1wh0 s GLN 111 Cb 0.04 -1.23 -0.08 0.00 1.00 0.00 0.00 33.01 32.75 1wh0 s GLN 111 CO 0.86 0.18 1.91 0.45 -2.12 0.00 0.00 175.29 176.57 1wh0 n SER 112 N 3.22 3.25 -4.39 5.90 2.88 -1.26 -4.87 113.62 118.34 1wh0 n SER 112 Ca -0.18 -2.73 -0.20 0.00 -1.33 0.00 0.00 58.87 54.43 1wh0 n SER 112 Cb 0.54 -1.61 -0.10 0.00 -0.75 0.00 0.00 64.21 62.29 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 5.73 1.47 0.15 -1.46 -2.07 -1.26 -5.09 119.66 117.13 1wh0 s GLN 113 Ca 0.63 -1.75 -0.30 0.00 -1.82 0.00 0.00 55.36 52.12 1wh0 s GLN 113 Cb 0.04 -0.93 -0.07 0.00 -1.09 0.00 0.00 33.01 30.96 1wh0 s GLN 113 CO 0.12 -0.03 1.18 0.50 -1.32 0.00 0.00 175.29 175.74 1wh0 s ARG 114 N -3.79 4.50 -0.14 9.60 3.52 -1.26 -4.94 118.95 126.44 1wh0 s ARG 114 Ca 0.29 1.82 0.14 0.00 -0.13 0.00 0.00 55.73 57.85 1wh0 s ARG 114 Cb 0.05 -3.27 -0.24 0.00 -1.56 0.00 0.00 34.95 29.93 1wh0 s ARG 114 CO 0.11 -0.10 0.29 0.91 -0.81 0.00 0.00 175.30 175.70 1wh0 n TRP 115 N 2.85 0.43 -0.61 5.12 7.02 -1.26 -4.97 117.44 126.02 1wh0 n TRP 115 Ca 0.05 0.15 0.00 0.00 -1.02 0.00 0.00 57.50 56.68 1wh0 n TRP 115 Cb 0.45 -1.08 0.00 0.00 -2.42 0.00 0.00 31.31 28.27 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 1.71 0.90 0.00 6.99 0.00 -1.26 -4.81 105.19 108.72 1wh0 n GLY 116 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.29 0.36 -0.02 0.00 -1.26 -5.04 105.19 100.52 1wh0 n GLY 117 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 -9.99 0.99 5.85 -1.96 -3.41 115.31 105.34 1wh0 h LEU 118 Ca 0.00 0.19 -0.51 0.00 0.84 0.00 0.00 57.88 58.40 1wh0 h LEU 118 Cb 0.00 0.59 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1wh0 h LEU 118 CO 0.00 -0.32 0.05 -1.61 -0.34 0.00 0.00 178.44 176.22 1wh0 s GLU 119 N -5.07 3.98 0.71 1.25 2.02 -1.26 -4.37 118.70 115.97 1wh0 s GLU 119 Ca -0.11 0.60 -0.14 0.00 0.02 0.00 0.00 54.97 55.34 1wh0 s GLU 119 Cb 0.06 -2.53 0.03 0.00 0.10 0.00 0.00 34.13 31.79 1wh0 s GLU 119 CO 0.48 0.22 1.13 0.00 0.02 0.00 0.00 175.26 177.11 1wh0 s ALA 120 N -1.89 2.29 1.15 5.21 0.00 -0.27 -4.89 121.76 123.35 1wh0 s ALA 120 Ca 0.51 0.57 -0.12 0.00 0.00 0.00 0.00 51.96 52.92 1wh0 s ALA 120 Cb -0.11 -3.35 0.18 0.00 0.00 0.00 0.00 23.12 19.84 1wh0 s ALA 120 CO 0.19 -1.59 0.64 -0.35 0.00 0.00 0.00 175.76 174.65 1wh0 n PRO 121 N -2.80 -2.27 -3.37 0.00 -0.04 -1.26 -4.46 135.00 120.79 1wh0 n PRO 121 Ca 0.11 -1.03 -0.18 0.00 -0.04 0.00 0.00 63.50 62.36 1wh0 n PRO 121 Cb 0.52 -0.96 0.08 0.00 -0.04 0.00 0.00 33.50 33.09 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 -4.10 -1.65 -2.67 0.55 0.00 -1.26 -4.95 120.51 106.42 1wh0 n ALA 122 Ca -0.12 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1wh0 n ALA 122 Cb 0.35 -3.14 -0.03 0.00 0.00 0.00 0.00 19.45 16.63 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 -3.32 3.33 0.10 0.00 0.00 -1.26 -4.97 121.76 115.64 1wh0 s ALA 123 Ca 0.17 0.46 -0.36 0.00 0.00 0.00 0.00 51.96 52.22 1wh0 s ALA 123 Cb -0.07 -3.41 -0.16 0.00 0.00 0.00 0.00 23.12 19.47 1wh0 s ALA 123 CO 0.67 -0.49 1.33 -2.13 0.00 0.00 0.00 175.76 175.14 1wh0 n ARG 124 N 4.63 1.21 -4.44 0.00 0.00 -1.26 -4.97 116.66 111.83 1wh0 n ARG 124 Ca 0.08 0.43 -0.21 0.00 -0.00 0.00 0.00 57.85 58.15 1wh0 n ARG 124 Cb 0.49 -2.07 -0.10 0.00 0.00 0.00 0.00 32.46 30.78 1wh0 n ARG 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1wh0 s VAL 125 N 0.43 1.42 0.02 5.15 -7.23 -1.26 -5.16 120.40 113.77 1wh0 s VAL 125 Ca 0.83 -2.06 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1wh0 s VAL 125 Cb -0.93 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 33.42 1wh0 s VAL 125 CO 0.47 -0.17 0.04 0.61 -0.31 0.00 0.00 175.10 175.74 1wh0 n GLY 126 N -0.63 1.89 0.00 2.32 0.00 -1.26 -5.09 105.19 102.42 1wh0 n GLY 126 Ca -0.04 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1wh0 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh0 n GLY 127 N -0.03 1.42 3.92 -0.02 0.00 -1.26 -5.10 105.19 104.12 1wh0 n GLY 127 Ca -0.00 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 1wh0 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 s ALA 128 N -1.24 3.14 -0.29 4.61 0.00 -1.26 -5.10 121.76 121.62 1wh0 s ALA 128 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 50.98 1wh0 s ALA 128 Cb 0.00 -2.65 0.15 0.00 0.00 0.00 0.00 23.12 20.62 1wh0 s ALA 128 CO 0.00 -1.21 0.95 -1.12 0.00 0.00 0.00 175.76 174.39 1wh0 s SER 129 N -4.47 -0.57 0.34 0.00 0.01 -1.26 -5.18 113.70 102.57 1wh0 s SER 129 Ca 0.59 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.71 1wh0 s SER 129 Cb -0.11 1.41 0.00 0.00 0.21 0.00 0.00 66.02 67.53 1wh0 s SER 129 CO 0.45 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.58 1wh0 n GLY 130 N 4.22 -1.73 0.20 3.44 0.00 -1.26 -4.97 105.19 105.09 1wh0 n GLY 130 Ca -0.15 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.23 1wh0 n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 h PRO 131 N 0.00 0.63 -5.91 1.61 0.13 -2.02 -3.48 132.00 122.96 1wh0 h PRO 131 Ca 0.00 -0.33 -0.40 0.00 -0.87 0.00 0.00 66.00 64.40 1wh0 h PRO 131 Cb 0.00 0.01 0.11 0.00 0.13 0.00 0.00 31.00 31.25 1wh0 h PRO 131 CO 0.00 0.94 -0.73 0.45 -0.23 0.00 0.00 178.00 178.43 1wh0 n SER 132 N -4.32 -4.59 -3.97 1.44 2.88 -1.26 -2.53 113.62 101.27 1wh0 n SER 132 Ca -0.04 -0.63 -0.27 0.00 -1.33 0.00 0.00 58.87 56.59 1wh0 n SER 132 Cb 0.45 -4.75 -0.06 0.00 -0.75 0.00 0.00 64.21 59.10 1wh0 n SER 132 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wh0 n SER 133 N -3.01 -0.04 0.00 -3.46 2.88 -1.26 -5.32 113.62 103.41 1wh0 n SER 133 Ca -0.08 -1.03 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 1wh0 n SER 133 Cb 0.59 -1.27 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 1wh0 n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42