#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh0 n SER 2 N 0.00 6.89 -3.94 1.61 7.64 -1.26 -4.90 113.62 119.67 1wh0 n SER 2 Ca 0.00 -3.78 -0.31 0.00 1.01 0.00 0.00 58.87 55.79 1wh0 n SER 2 Cb 0.00 -0.80 -0.15 0.00 -1.01 0.00 0.00 64.21 62.25 1wh0 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh0 s SER 3 N -2.30 4.11 0.00 6.43 0.15 -1.26 -5.04 113.70 115.80 1wh0 s SER 3 Ca 0.60 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1wh0 s SER 3 Cb 0.48 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1wh0 s SER 3 CO -0.03 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1wh0 n GLY 4 N 4.59 0.77 0.15 9.45 0.00 -1.26 -5.07 105.19 113.82 1wh0 n GLY 4 Ca -0.08 0.57 -0.07 0.00 0.00 0.00 0.00 46.02 46.45 1wh0 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wh0 h SER 5 N 0.00 -0.24 -7.08 1.61 0.87 -2.03 -3.47 113.55 103.21 1wh0 h SER 5 Ca 0.00 -0.14 -0.62 0.00 -1.23 0.00 0.00 61.79 59.80 1wh0 h SER 5 Cb 0.00 0.06 -0.20 0.00 -0.44 0.00 0.00 62.40 61.82 1wh0 h SER 5 CO 0.00 0.28 -0.97 -0.24 -0.53 0.00 0.00 176.83 175.37 1wh0 n SER 6 N -4.95 0.70 -0.14 6.23 2.88 -1.26 -4.81 113.62 112.27 1wh0 n SER 6 Ca -0.05 -1.28 -0.04 0.00 -1.33 0.00 0.00 58.87 56.17 1wh0 n SER 6 Cb 0.18 -1.59 0.02 0.00 -0.75 0.00 0.00 64.21 62.08 1wh0 n SER 6 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1wh0 h GLY 7 N -1.83 0.23 -1.02 0.46 0.00 -2.07 -3.42 103.07 95.42 1wh0 h GLY 7 Ca -0.66 0.20 -0.41 0.00 0.00 0.00 0.00 47.33 46.47 1wh0 h GLY 7 CO 0.70 -0.19 -0.07 0.54 0.00 0.00 0.00 176.54 177.52 1wh0 s VAL 8 N -6.19 1.56 -0.40 4.60 0.11 -1.26 -4.99 120.40 113.83 1wh0 s VAL 8 Ca -0.14 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 58.87 1wh0 s VAL 8 Cb 0.16 -2.06 0.10 0.00 -1.53 0.00 0.00 36.38 33.04 1wh0 s VAL 8 CO 0.71 0.00 0.20 -1.81 -3.33 0.00 0.00 175.10 170.87 1wh0 s ASP 9 N -2.85 5.29 0.27 3.54 1.11 -1.26 -5.08 116.67 117.69 1wh0 s ASP 9 Ca 0.69 -1.91 -0.17 0.00 0.18 0.00 0.00 52.55 51.34 1wh0 s ASP 9 Cb -0.19 -1.84 -0.12 0.00 1.07 0.00 0.00 42.92 41.84 1wh0 s ASP 9 CO 0.61 -0.53 0.14 -0.62 1.18 0.00 0.00 175.17 175.95 1wh0 n GLU 10 N 4.65 0.00 0.00 8.23 1.02 -1.26 -4.72 120.64 128.56 1wh0 n GLU 10 Ca -0.04 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.13 1wh0 n GLU 10 Cb 0.42 -0.76 0.21 0.00 -0.02 0.00 0.00 31.44 31.29 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 0.95 0.49 -0.29 3.49 -0.04 -1.26 -4.15 135.00 134.20 1wh0 n PRO 11 Ca 0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.53 1wh0 n PRO 11 Cb 0.28 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.73 -0.21 -0.19 0.54 0.28 -1.26 0.24 120.64 119.32 1wh0 n GLU 12 Ca 0.05 1.12 -0.01 0.00 -0.16 0.00 0.00 57.16 58.16 1wh0 n GLU 12 Cb 0.02 -1.65 0.21 0.00 1.43 0.00 0.00 31.44 31.45 1wh0 n GLU 12 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1wh0 h SER 13 N 0.00 0.84 -4.23 -1.84 0.87 -1.94 -3.43 113.55 103.82 1wh0 h SER 13 Ca 0.22 -0.08 -0.50 0.00 -1.23 0.00 0.00 61.79 60.20 1wh0 h SER 13 Cb 0.40 -0.22 0.07 0.00 -0.44 0.00 0.00 62.40 62.22 1wh0 h SER 13 CO -0.71 0.71 0.37 -0.04 -0.53 0.00 0.00 176.83 176.63 1wh0 s MET 14 N -5.57 3.18 -0.07 2.24 -1.94 0.67 -4.94 119.30 112.88 1wh0 s MET 14 Ca -0.11 1.15 -0.05 0.00 -1.71 0.00 0.00 55.69 54.97 1wh0 s MET 14 Cb 0.17 -2.02 -0.04 0.00 2.01 0.00 0.00 34.83 34.95 1wh0 s MET 14 CO 0.79 -0.92 0.16 0.08 -0.01 0.00 0.00 175.02 175.12 1wh0 s VAL 15 N -2.61 5.47 -0.28 -6.03 1.01 -0.82 -4.93 120.40 112.22 1wh0 s VAL 15 Ca 0.62 0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.56 1wh0 s VAL 15 Cb -0.16 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1wh0 s VAL 15 CO 0.42 0.48 0.10 0.20 0.00 0.00 0.00 175.10 176.29 1wh0 s ASN 16 N -1.46 5.23 0.47 3.32 -0.87 -1.26 0.26 114.94 120.63 1wh0 s ASN 16 Ca 0.21 -0.50 -0.22 0.00 -1.57 0.00 0.00 52.86 50.78 1wh0 s ASN 16 Cb -0.12 -1.93 -0.08 0.00 -0.02 0.00 0.00 41.25 39.10 1wh0 s ASN 16 CO 0.11 -0.14 1.11 -0.76 -2.57 0.00 0.00 177.10 174.85 1wh0 s LEU 17 N 1.57 3.95 -0.22 0.60 1.43 0.75 -4.89 118.68 121.87 1wh0 s LEU 17 Ca 0.04 2.15 0.07 0.00 -1.03 0.00 0.00 54.13 55.36 1wh0 s LEU 17 Cb -0.16 -4.36 -0.18 0.00 0.03 0.00 0.00 46.19 41.52 1wh0 s LEU 17 CO 0.04 -0.86 -0.11 0.00 0.23 0.00 0.00 176.35 175.64 1wh0 n ALA 18 N -0.65 1.51 -3.68 4.21 0.00 -1.26 -4.41 120.51 116.22 1wh0 n ALA 18 Ca 0.08 -1.09 -0.12 0.00 0.00 0.00 0.00 53.44 52.31 1wh0 n ALA 18 Cb 0.50 -0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.74 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 -2.47 -0.49 -0.16 0.00 5.36 -1.26 -5.04 117.98 113.93 1wh0 s PHE 19 Ca -0.24 1.06 0.01 0.00 -0.96 0.00 0.00 56.93 56.80 1wh0 s PHE 19 Cb 0.07 0.08 0.01 0.00 -0.34 0.00 0.00 43.02 42.84 1wh0 s PHE 19 CO 0.62 -0.35 -0.19 0.08 -1.46 0.00 0.00 175.22 173.92 1wh0 s VAL 20 N 2.06 2.24 -0.37 3.12 1.01 -1.26 -5.06 120.40 122.14 1wh0 s VAL 20 Ca -0.03 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 1wh0 s VAL 20 Cb -0.11 -1.92 -0.08 0.00 0.00 0.00 0.00 36.38 34.27 1wh0 s VAL 20 CO -0.10 0.53 2.30 1.17 0.00 0.00 0.00 175.10 179.01 1wh0 n LYS 21 N 4.23 1.40 -3.82 2.72 0.00 -1.26 -4.89 118.16 116.54 1wh0 n LYS 21 Ca -0.20 0.29 -0.09 0.00 0.00 0.00 0.00 58.31 58.31 1wh0 n LYS 21 Cb 0.51 -3.07 -0.04 0.00 0.00 0.00 0.00 35.03 32.43 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 9.42 -0.19 -0.06 3.14 2.20 -1.26 -0.16 114.94 128.03 1wh0 s ASN 22 Ca 1.03 -0.61 -0.02 0.00 -0.94 0.00 0.00 52.86 52.32 1wh0 s ASN 22 Cb -0.43 0.57 0.04 0.00 -2.00 0.00 0.00 41.25 39.43 1wh0 s ASN 22 CO 0.36 -1.06 0.11 -0.62 -2.94 0.00 0.00 177.10 172.94 1wh0 s ASP 23 N -2.91 0.67 -0.08 3.54 -1.08 0.15 -4.92 116.67 112.03 1wh0 s ASP 23 Ca 0.12 0.20 0.05 0.00 -0.52 0.00 0.00 52.55 52.40 1wh0 s ASP 23 Cb -0.01 0.07 -0.00 0.00 -1.46 0.00 0.00 42.92 41.52 1wh0 s ASP 23 CO -0.00 -0.22 -0.24 -0.55 0.52 0.00 0.00 175.17 174.68 1wh0 s SER 24 N 1.93 3.10 0.13 -0.34 0.15 -1.26 0.84 113.70 118.25 1wh0 s SER 24 Ca 0.00 -0.54 0.08 0.00 0.70 0.00 0.00 55.95 56.19 1wh0 s SER 24 Cb -0.12 -1.19 -0.04 0.00 -1.71 0.00 0.00 66.02 62.95 1wh0 s SER 24 CO -0.04 0.19 -0.08 -0.72 1.20 0.00 0.00 173.24 173.79 1wh0 s TYR 25 N 0.14 2.73 -0.76 3.44 1.13 -0.64 -4.96 117.35 118.44 1wh0 s TYR 25 Ca -0.13 -0.17 -0.26 0.00 -1.41 0.00 0.00 57.07 55.11 1wh0 s TYR 25 Cb -0.16 -1.39 -0.00 0.00 -1.10 0.00 0.00 41.96 39.30 1wh0 s TYR 25 CO 0.07 0.46 1.68 -1.21 -2.51 0.00 0.00 175.55 174.04 1wh0 s GLU 26 N -2.48 2.88 0.26 -3.49 8.01 -1.26 -2.53 118.70 120.09 1wh0 s GLU 26 Ca 0.23 -0.01 -0.04 0.00 0.01 0.00 0.00 54.97 55.16 1wh0 s GLU 26 Cb -0.10 -4.60 -0.05 0.00 -4.31 0.00 0.00 34.13 25.07 1wh0 s GLU 26 CO 0.15 -2.65 0.51 0.21 0.01 0.00 0.00 175.26 173.49 1wh0 s LYS 27 N 6.45 3.61 0.29 1.61 2.20 -0.74 -4.97 119.74 128.18 1wh0 s LYS 27 Ca 0.57 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 56.11 1wh0 s LYS 27 Cb -0.09 -2.70 0.00 0.00 -1.51 0.00 0.00 37.83 33.54 1wh0 s LYS 27 CO 0.11 0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.78 1wh0 n GLY 28 N -0.82 -0.08 0.11 5.54 0.00 -1.26 -1.58 105.19 107.10 1wh0 n GLY 28 Ca -0.02 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.16 0.00 1.61 0.13 -1.99 -3.36 132.00 128.23 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 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1wh0 h PRO 29 CO 0.00 0.27 -0.17 -0.40 -0.23 0.00 0.00 178.00 177.47 1wh0 n ASP 30 N -4.95 2.03 -4.94 1.44 5.75 -1.26 -4.40 116.55 110.22 1wh0 n ASP 30 Ca -0.09 -3.18 -0.27 0.00 -0.01 0.00 0.00 54.79 51.25 1wh0 n ASP 30 Cb 0.26 -0.43 -0.03 0.00 -1.03 0.00 0.00 41.12 39.88 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 -2.82 6.35 -0.25 -1.12 0.01 -0.62 -0.14 113.70 115.11 1wh0 s SER 31 Ca 0.31 0.24 -0.02 0.00 1.31 0.00 0.00 55.95 57.79 1wh0 s SER 31 Cb 0.28 -1.94 0.14 0.00 0.21 0.00 0.00 66.02 64.72 1wh0 s SER 31 CO 0.00 0.03 0.42 -0.69 0.41 0.00 0.00 173.24 173.41 1wh0 s VAL 32 N -1.77 -0.68 0.19 3.43 1.01 -0.59 -1.80 120.40 120.19 1wh0 s VAL 32 Ca 0.36 -0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 1wh0 s VAL 32 Cb -0.11 -0.85 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 1wh0 s VAL 32 CO 0.29 -0.10 0.50 -0.69 0.00 0.00 0.00 175.10 175.09 1wh0 s VAL 33 N 2.61 4.98 -0.03 2.92 1.01 -1.05 -0.13 120.40 130.71 1wh0 s VAL 33 Ca 0.14 0.43 0.04 0.00 0.00 0.00 0.00 61.98 62.59 1wh0 s VAL 33 Cb -0.15 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1wh0 s VAL 33 CO -0.17 0.03 -0.14 -0.69 0.00 0.00 0.00 175.10 174.13 1wh0 s VAL 34 N -1.69 1.16 -0.35 2.92 1.01 -0.71 -1.63 120.40 121.11 1wh0 s VAL 34 Ca 0.43 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1wh0 s VAL 34 Cb -0.12 -1.00 0.09 0.00 0.00 0.00 0.00 36.38 35.35 1wh0 s VAL 34 CO 0.21 0.34 0.07 -1.00 0.00 0.00 0.00 175.10 174.72 1wh0 s HIS 35 N 0.01 3.64 -0.13 5.22 3.76 0.25 -2.71 115.29 125.33 1wh0 s HIS 35 Ca -0.02 -2.72 -0.19 0.00 -0.15 0.00 0.00 55.06 51.98 1wh0 s HIS 35 Cb -0.09 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.72 1wh0 s HIS 35 CO 0.01 -0.94 0.53 0.08 -0.85 0.00 0.00 174.74 173.57 1wh0 s VAL 36 N 1.00 5.14 -0.53 -0.90 1.01 -0.71 0.33 120.40 125.74 1wh0 s VAL 36 Ca 0.07 1.04 -0.26 0.00 0.00 0.00 0.00 61.98 62.83 1wh0 s VAL 36 Cb -0.20 -3.86 0.03 0.00 0.00 0.00 0.00 36.38 32.35 1wh0 s VAL 36 CO -0.06 0.27 1.05 -0.31 0.00 0.00 0.00 175.10 176.04 1wh0 s TYR 37 N 0.95 2.77 -0.21 5.22 1.51 0.77 -1.22 117.35 127.13 1wh0 s TYR 37 Ca 0.28 0.32 -0.29 0.00 -1.01 0.00 0.00 57.07 56.36 1wh0 s TYR 37 Cb -0.16 -4.24 0.15 0.00 -0.11 0.00 0.00 41.96 37.60 1wh0 s TYR 37 CO 0.11 -1.36 1.12 0.54 -1.11 0.00 0.00 175.55 174.85 1wh0 s VAL 38 N 4.30 0.00 0.31 0.71 0.11 -1.09 -4.78 120.40 119.96 1wh0 s VAL 38 Ca 0.38 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.46 1wh0 s VAL 38 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 1wh0 s VAL 38 CO 0.25 0.00 0.13 -0.54 -3.33 0.00 0.00 175.10 171.61 1wh0 s LYS 39 N -0.96 1.61 -1.35 1.54 1.02 -1.26 -3.30 119.74 117.03 1wh0 s LYS 39 Ca 0.02 -1.91 -0.02 0.00 0.02 0.00 0.00 55.97 54.08 1wh0 s LYS 39 Cb -0.01 -0.26 0.01 0.00 -0.52 0.00 0.00 37.83 37.05 1wh0 s LYS 39 CO -0.02 -0.40 0.67 0.39 -0.92 0.00 0.00 175.35 175.06 1wh0 n GLU 40 N -0.61 -4.61 -3.83 1.68 1.02 -1.26 -3.67 120.64 109.37 1wh0 n GLU 40 Ca -0.00 0.57 -0.33 0.00 -0.02 0.00 0.00 57.16 57.38 1wh0 n GLU 40 Cb 0.65 -5.07 -0.05 0.00 -0.02 0.00 0.00 31.44 26.96 1wh0 n GLU 40 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wh0 s ILE 41 N -3.69 5.34 -0.53 -3.67 1.01 -1.26 -1.28 121.20 117.12 1wh0 s ILE 41 Ca 0.07 -0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.46 1wh0 s ILE 41 Cb -0.04 -3.58 0.08 0.00 0.01 0.00 0.00 42.46 38.93 1wh0 s ILE 41 CO 0.83 0.25 0.59 0.00 0.00 0.00 0.00 174.94 176.61 1wh0 n ARG 43 N 5.93 0.02 0.01 0.00 1.74 -1.26 -0.53 116.66 122.58 1wh0 n ARG 43 Ca -0.09 0.29 -0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1wh0 n ARG 43 Cb 0.44 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.24 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 0.06 -0.17 0.55 3.32 -2.00 -3.35 116.42 114.83 1wh0 h ASP 44 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1wh0 h ASP 44 Cb 0.18 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1wh0 h ASP 44 CO 0.00 1.09 0.00 0.35 -1.72 0.00 0.00 179.24 178.96 1wh0 n THR 45 N -3.18 1.43 -4.09 0.35 -2.24 -0.83 -4.95 114.28 100.77 1wh0 n THR 45 Ca -0.13 -1.41 -0.33 0.00 -2.27 0.00 0.00 64.05 59.91 1wh0 n THR 45 Cb 1.02 0.21 -0.16 0.00 -2.10 0.00 0.00 70.33 69.31 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 -1.53 3.53 0.45 3.42 0.01 0.31 -4.34 113.70 115.55 1wh0 s SER 46 Ca 0.22 -0.80 0.03 0.00 1.31 0.00 0.00 55.95 56.72 1wh0 s SER 46 Cb 0.16 -1.52 -0.01 0.00 0.21 0.00 0.00 66.02 64.86 1wh0 s SER 46 CO 0.08 -0.05 0.12 -2.11 0.41 0.00 0.00 173.24 171.69 1wh0 n ARG 47 N 4.60 0.60 -3.68 12.44 1.85 0.53 -4.77 116.66 128.22 1wh0 n ARG 47 Ca -0.19 -3.65 -0.14 0.00 -1.00 0.00 0.00 57.85 52.87 1wh0 n ARG 47 Cb 0.48 1.75 -0.14 0.00 -1.05 0.00 0.00 32.46 33.50 1wh0 n ARG 47 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1wh0 s VAL 48 N -3.09 -0.27 -0.43 8.89 1.01 -1.26 -0.27 120.40 124.97 1wh0 s VAL 48 Ca 0.17 0.25 -0.15 0.00 0.00 0.00 0.00 61.98 62.25 1wh0 s VAL 48 Cb 0.01 -0.39 0.04 0.00 0.00 0.00 0.00 36.38 36.03 1wh0 s VAL 48 CO 0.12 0.11 0.32 -0.76 0.00 0.00 0.00 175.10 174.88 1wh0 s LEU 49 N 2.03 5.23 -0.46 3.92 1.43 0.73 -4.97 118.68 126.59 1wh0 s LEU 49 Ca -0.02 -1.05 -0.24 0.00 -1.03 0.00 0.00 54.13 51.79 1wh0 s LEU 49 Cb -0.12 -2.15 0.03 0.00 0.03 0.00 0.00 46.19 43.98 1wh0 s LEU 49 CO -0.08 -0.51 0.84 -0.36 0.23 0.00 0.00 176.35 176.48 1wh0 s PHE 50 N 1.65 2.95 0.68 0.29 0.08 -1.26 -0.21 117.98 122.16 1wh0 s PHE 50 Ca 0.04 0.20 -0.03 0.00 0.12 0.00 0.00 56.93 57.27 1wh0 s PHE 50 Cb -0.21 -3.80 0.14 0.00 -0.57 0.00 0.00 43.02 38.58 1wh0 s PHE 50 CO 0.08 -1.06 0.93 0.54 -0.10 0.00 0.00 175.22 175.62 1wh0 n ARG 51 N 6.92 -0.22 0.13 0.44 5.12 0.79 -4.63 116.66 125.21 1wh0 n ARG 51 Ca 0.03 -2.30 -0.24 0.00 -1.93 0.00 0.00 57.85 53.42 1wh0 n ARG 51 Cb 0.48 -0.70 -0.16 0.00 -1.16 0.00 0.00 32.46 30.93 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 0.49 -0.02 5.56 4.11 -1.96 -3.34 114.58 119.42 1wh0 h GLU 52 Ca -0.31 -0.84 0.00 0.00 0.07 0.00 0.00 59.36 58.28 1wh0 h GLU 52 Cb 1.07 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1wh0 h GLU 52 CO 0.31 1.40 0.00 0.94 0.07 0.00 0.00 179.01 181.73 1wh0 n GLN 53 N -3.67 1.40 -3.71 1.06 7.27 -1.26 0.38 117.38 118.84 1wh0 n GLN 53 Ca -0.19 -2.60 -0.02 0.00 0.07 0.00 0.00 57.00 54.27 1wh0 n GLN 53 Cb 1.10 -1.52 0.02 0.00 2.41 0.00 0.00 30.24 32.24 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 -1.37 -1.49 -3.39 1.69 5.75 -1.26 -2.55 116.55 113.94 1wh0 n ASP 54 Ca 0.16 -1.70 0.02 0.00 -0.01 0.00 0.00 54.79 53.26 1wh0 n ASP 54 Cb 0.66 2.40 -0.02 0.00 -1.03 0.00 0.00 41.12 43.12 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 -2.35 -1.48 0.06 2.11 -0.12 -1.18 -0.15 117.98 114.87 1wh0 s PHE 55 Ca 0.23 2.01 -0.11 0.00 -0.05 0.00 0.00 56.93 59.00 1wh0 s PHE 55 Cb -0.02 0.68 -0.06 0.00 -0.63 0.00 0.00 43.02 42.99 1wh0 s PHE 55 CO 0.04 -0.78 0.41 0.99 -0.05 0.00 0.00 175.22 175.83 1wh0 s THR 56 N 2.88 5.07 -0.25 -4.49 2.01 0.71 -3.21 115.64 118.36 1wh0 s THR 56 Ca 0.08 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.65 1wh0 s THR 56 Cb -0.14 -3.66 0.07 0.00 0.01 0.00 0.00 72.50 68.78 1wh0 s THR 56 CO -0.20 0.35 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.85 1wh0 s LEU 57 N -1.72 2.56 -0.32 4.42 2.96 -0.45 -0.19 118.68 125.93 1wh0 s LEU 57 Ca 0.31 -1.28 -0.10 0.00 -0.22 0.00 0.00 54.13 52.85 1wh0 s LEU 57 Cb -0.15 -1.11 -0.00 0.00 0.50 0.00 0.00 46.19 45.43 1wh0 s LEU 57 CO 0.17 -0.28 0.16 -0.63 -1.32 0.00 0.00 176.35 174.45 1wh0 s ILE 58 N 1.43 4.57 -0.14 6.68 1.09 0.63 -1.63 121.20 133.82 1wh0 s ILE 58 Ca -0.02 -0.49 -0.13 0.00 -1.10 0.00 0.00 60.65 58.91 1wh0 s ILE 58 Cb -0.18 -3.36 0.04 0.00 -1.06 0.00 0.00 42.46 37.89 1wh0 s ILE 58 CO -0.09 0.03 0.38 0.72 -0.10 0.00 0.00 174.94 175.88 1wh0 s PHE 59 N 1.60 -0.42 -0.41 3.97 -0.12 -1.06 0.20 117.98 121.74 1wh0 s PHE 59 Ca 0.04 1.02 -0.12 0.00 -0.05 0.00 0.00 56.93 57.82 1wh0 s PHE 59 Cb -0.17 0.14 0.05 0.00 -0.63 0.00 0.00 43.02 42.41 1wh0 s PHE 59 CO 0.06 -0.20 0.28 -0.65 -0.05 0.00 0.00 175.22 174.65 1wh0 s GLN 60 N 0.19 2.82 -0.00 1.99 -0.21 -1.26 -3.55 119.66 119.64 1wh0 s GLN 60 Ca -0.00 -1.23 -0.04 0.00 0.02 0.00 0.00 55.36 54.10 1wh0 s GLN 60 Cb -0.03 -3.87 -0.04 0.00 1.00 0.00 0.00 33.01 30.07 1wh0 s GLN 60 CO 0.01 -0.85 0.22 -0.08 -2.12 0.00 0.00 175.29 172.46 1wh0 s THR 61 N 1.56 5.38 -0.10 -0.19 -1.32 -1.26 -2.48 115.64 117.23 1wh0 s THR 61 Ca 0.03 -0.03 0.15 0.00 -1.21 0.00 0.00 61.69 60.63 1wh0 s THR 61 Cb -0.21 -3.55 0.22 0.00 -1.51 0.00 0.00 72.50 67.45 1wh0 s THR 61 CO 0.06 0.34 1.11 -2.11 -2.21 0.00 0.00 174.62 171.81 1wh0 n ARG 62 N 1.01 1.45 -2.58 7.08 1.85 -0.41 -4.22 116.66 120.85 1wh0 n ARG 62 Ca -0.11 -2.29 -0.42 0.00 -1.00 0.00 0.00 57.85 54.03 1wh0 n ARG 62 Cb 0.53 -1.35 -0.02 0.00 -1.05 0.00 0.00 32.46 30.56 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 -2.44 6.46 0.49 2.89 2.15 -1.24 -4.88 116.67 120.10 1wh0 s ASP 63 Ca 0.25 0.14 0.39 0.00 0.43 0.00 0.00 52.55 53.76 1wh0 s ASP 63 Cb 0.22 -2.55 1.58 0.00 -0.30 0.00 0.00 42.92 41.86 1wh0 s ASP 63 CO 0.02 -1.47 1.59 1.23 -0.17 0.00 0.00 175.17 176.38 1wh0 h GLY 64 N 11.88 0.84 1.10 2.66 0.00 -1.94 1.39 103.07 119.00 1wh0 h GLY 64 Ca -0.25 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 1wh0 h GLY 64 CO 1.18 -0.29 0.06 3.43 0.00 0.00 0.00 176.54 180.93 1wh0 h ASN 65 N 0.02 1.05 0.49 0.19 2.35 -1.99 0.24 115.58 117.93 1wh0 h ASN 65 Ca 0.89 -0.27 -0.30 0.00 -0.55 0.00 0.00 56.30 56.07 1wh0 h ASN 65 Cb 3.13 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 41.22 1wh0 h ASN 65 CO -0.29 1.07 -1.44 0.15 -1.65 0.00 0.00 177.43 175.28 1wh0 h PHE 66 N 1.01 0.51 0.03 1.19 3.04 0.13 -3.34 116.94 119.51 1wh0 h PHE 66 Ca 0.19 -0.38 -0.00 0.00 3.98 0.00 0.00 57.97 61.76 1wh0 h PHE 66 Cb 0.49 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1wh0 h PHE 66 CO 0.04 1.37 -0.01 -0.07 -2.02 0.00 0.00 178.31 177.61 1wh0 h LEU 67 N 0.08 -0.03 -1.20 0.59 3.38 -0.56 -3.13 115.31 114.43 1wh0 h LEU 67 Ca -0.21 -0.45 0.39 0.00 0.09 0.00 0.00 57.88 57.70 1wh0 h LEU 67 Cb 2.02 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 42.63 1wh0 h LEU 67 CO 0.19 0.44 0.70 0.03 0.09 0.00 0.00 178.44 179.88 1wh0 h ARG 68 N -0.51 0.15 -0.79 1.13 3.08 -0.67 1.08 114.38 117.85 1wh0 h ARG 68 Ca -0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1wh0 h ARG 68 Cb 0.48 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1wh0 h ARG 68 CO 0.01 0.10 0.37 -0.07 -1.07 0.00 0.00 179.97 179.31 1wh0 h LEU 69 N 0.16 1.04 -7.72 3.04 3.38 -1.67 -3.34 115.31 110.20 1wh0 h LEU 69 Ca 0.79 -0.13 -0.75 0.00 0.09 0.00 0.00 57.88 57.88 1wh0 h LEU 69 Cb 2.18 -0.27 -0.30 0.00 0.09 0.00 0.00 40.66 42.36 1wh0 h LEU 69 CO -0.54 0.88 -0.12 -1.00 0.09 0.00 0.00 178.44 177.76 1wh0 s HIS 70 N -5.63 3.59 0.58 1.13 3.76 0.37 -5.07 115.29 114.03 1wh0 s HIS 70 Ca -0.12 -2.29 -0.18 0.00 -0.15 0.00 0.00 55.06 52.33 1wh0 s HIS 70 Cb 0.16 -3.55 -0.04 0.00 1.11 0.00 0.00 32.58 30.27 1wh0 s HIS 70 CO 0.82 -0.93 1.12 -1.25 -0.85 0.00 0.00 174.74 173.66 1wh0 s PRO 71 N 0.12 3.16 0.00 8.40 0.04 -1.25 -3.43 135.00 142.04 1wh0 s PRO 71 Ca 0.17 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1wh0 s PRO 71 Cb -0.15 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1wh0 s PRO 71 CO -0.06 -0.99 0.00 0.41 0.04 0.00 0.00 177.00 176.40 1wh0 n GLY 72 N -0.08 3.29 3.91 0.56 0.00 -1.26 -5.02 105.19 106.59 1wh0 n GLY 72 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.78 3.99 0.17 0.00 0.00 -1.26 -5.01 105.19 101.31 1wh0 n GLY 74 Ca 0.01 -1.25 0.02 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.57 1.61 0.13 -1.92 -2.64 132.00 128.61 1wh0 h PRO 75 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 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 0.44 0.00 -2.39 -0.23 0.00 0.00 178.00 175.82 1wh0 n HIS 76 N -3.88 0.90 -3.38 1.56 1.44 -1.26 -4.46 115.22 106.14 1wh0 n HIS 76 Ca -0.01 -0.38 -0.40 0.00 -2.01 0.00 0.00 57.72 54.92 1wh0 n HIS 76 Cb 0.48 -0.13 -0.09 0.00 0.12 0.00 0.00 29.99 30.38 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 -1.63 5.15 0.14 0.61 2.01 -1.00 -5.05 115.64 115.88 1wh0 s THR 77 Ca 0.34 0.34 -0.31 0.00 0.31 0.00 0.00 61.69 62.36 1wh0 s THR 77 Cb 0.20 -3.78 -0.08 0.00 0.01 0.00 0.00 72.50 68.85 1wh0 s THR 77 CO 0.18 0.01 1.39 -0.89 -0.69 0.00 0.00 174.62 174.62 1wh0 s THR 78 N 2.09 3.20 -0.20 -0.82 2.01 -1.26 -4.67 115.64 116.00 1wh0 s THR 78 Ca 0.14 0.90 -0.02 0.00 0.31 0.00 0.00 61.69 63.02 1wh0 s THR 78 Cb -0.16 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1wh0 s THR 78 CO 0.11 0.09 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.66 1wh0 s PHE 79 N 0.82 2.87 -0.34 4.92 0.08 -1.23 -1.94 117.98 123.16 1wh0 s PHE 79 Ca 0.63 -1.19 -0.06 0.00 0.12 0.00 0.00 56.93 56.43 1wh0 s PHE 79 Cb -0.37 -2.01 0.05 0.00 -0.57 0.00 0.00 43.02 40.11 1wh0 s PHE 79 CO 0.33 -0.63 0.10 0.50 -0.10 0.00 0.00 175.22 175.43 1wh0 s ARG 80 N 1.32 2.57 -0.52 0.44 3.52 0.14 -2.56 118.95 123.86 1wh0 s ARG 80 Ca 0.04 -1.23 -0.16 0.00 -0.13 0.00 0.00 55.73 54.25 1wh0 s ARG 80 Cb -0.14 -3.45 0.11 0.00 -1.56 0.00 0.00 34.95 29.91 1wh0 s ARG 80 CO -0.06 -0.69 0.48 -0.46 -0.81 0.00 0.00 175.30 173.76 1wh0 s TRP 81 N 1.37 3.22 -0.24 5.12 -0.00 -0.64 -0.17 118.94 127.60 1wh0 s TRP 81 Ca -0.01 -1.12 -0.13 0.00 -0.00 0.00 0.00 56.10 54.84 1wh0 s TRP 81 Cb -0.20 -3.59 -0.04 0.00 -0.00 0.00 0.00 33.47 29.64 1wh0 s TRP 81 CO 0.02 -0.96 0.28 -1.14 -0.00 0.00 0.00 176.95 175.14 1wh0 s GLN 82 N 1.73 4.07 -0.14 5.86 0.74 -1.26 -1.35 119.66 129.31 1wh0 s GLN 82 Ca 0.04 -0.07 -0.01 0.00 0.05 0.00 0.00 55.36 55.37 1wh0 s GLN 82 Cb -0.27 -3.58 -0.02 0.00 1.10 0.00 0.00 33.01 30.24 1wh0 s GLN 82 CO 0.05 -0.07 -0.11 0.08 -0.55 0.00 0.00 175.29 174.69 1wh0 s VAL 83 N 1.44 3.21 -0.37 1.34 1.01 -1.20 -5.02 120.40 120.81 1wh0 s VAL 83 Ca 0.12 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 1wh0 s VAL 83 Cb -0.15 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.87 1wh0 s VAL 83 CO 0.08 0.51 0.51 -0.75 0.00 0.00 0.00 175.10 175.45 1wh0 s LYS 84 N 0.43 3.48 -0.17 2.72 2.20 -1.26 -3.13 119.74 124.00 1wh0 s LYS 84 Ca -0.09 -0.31 -0.19 0.00 -0.36 0.00 0.00 55.97 55.02 1wh0 s LYS 84 Cb -0.15 -3.86 -0.03 0.00 -1.51 0.00 0.00 37.83 32.28 1wh0 s LYS 84 CO 0.05 -0.73 0.55 -0.51 -0.36 0.00 0.00 175.35 174.35 1wh0 s LEU 85 N 2.40 4.18 0.13 5.43 1.43 -1.06 0.56 118.68 131.75 1wh0 s LEU 85 Ca 0.18 0.78 -0.27 0.00 -1.03 0.00 0.00 54.13 53.78 1wh0 s LEU 85 Cb -0.16 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 1wh0 s LEU 85 CO 0.14 -0.16 1.60 0.03 0.23 0.00 0.00 176.35 178.19 1wh0 h ARG 86 N 7.27 -0.43 0.00 1.70 2.47 -1.84 -3.44 114.38 120.12 1wh0 h ARG 86 Ca -0.35 0.03 -0.42 0.00 -1.26 0.00 0.00 59.98 57.98 1wh0 h ARG 86 Cb 1.16 0.10 0.05 0.00 -1.65 0.00 0.00 29.97 29.63 1wh0 h ARG 86 CO 0.75 -0.28 0.03 -1.71 0.56 0.00 0.00 179.97 179.32 1wh0 n ASN 87 N -5.42 1.50 -4.93 7.04 5.15 -1.26 -5.11 115.26 112.23 1wh0 n ASN 87 Ca -0.04 -2.17 -0.26 0.00 -0.60 0.00 0.00 54.58 51.51 1wh0 n ASN 87 Cb 0.34 -0.49 0.04 0.00 -0.53 0.00 0.00 39.78 39.14 1wh0 n ASN 87 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1wh0 s LEU 88 N 0.00 3.17 0.00 1.20 1.43 -1.26 -4.75 118.68 118.46 1wh0 s LEU 88 Ca 0.57 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 54.27 1wh0 s LEU 88 Cb -0.04 -3.37 -0.01 0.00 0.03 0.00 0.00 46.19 42.81 1wh0 s LEU 88 CO 0.37 -1.17 0.29 2.30 0.23 0.00 0.00 176.35 178.38 1wh0 n ILE 89 N -2.61 0.00 -3.93 -0.59 -5.35 0.16 -3.97 119.36 103.08 1wh0 n ILE 89 Ca 0.05 -1.49 -0.30 0.00 -0.27 0.00 0.00 62.75 60.74 1wh0 n ILE 89 Cb 0.58 0.83 -0.14 0.00 -1.74 0.00 0.00 39.64 39.17 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 -2.75 1.76 0.43 6.28 2.02 0.18 -4.74 118.70 121.87 1wh0 s GLU 90 Ca 0.24 -2.36 0.21 0.00 0.02 0.00 0.00 54.97 53.09 1wh0 s GLU 90 Cb 0.00 -3.13 0.93 0.00 0.10 0.00 0.00 34.13 32.03 1wh0 s GLU 90 CO 0.17 -1.08 1.85 -1.00 0.02 0.00 0.00 175.26 175.22 1wh0 h PRO 91 N 6.78 0.00 0.00 0.39 0.13 -1.82 -2.52 132.00 134.95 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 0.62 0.28 0.00 0.93 -0.23 0.00 0.00 178.00 179.60 1wh0 h GLU 92 N 0.00 0.00 0.00 0.86 5.08 -1.91 -2.08 114.58 116.53 1wh0 h GLU 92 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1wh0 h GLU 92 Cb 0.70 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1wh0 h GLU 92 CO 0.04 0.00 -1.35 1.04 -1.00 0.00 0.00 179.01 177.74 1wh0 n GLN 93 N -2.74 0.43 -1.23 2.33 6.02 -1.06 -5.04 117.38 116.09 1wh0 n GLN 93 Ca -0.02 -0.06 -0.36 0.00 -0.01 0.00 0.00 57.00 56.55 1wh0 n GLN 93 Cb 0.08 -1.18 0.08 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.95 0.04 -0.08 0.00 -4.23 -0.70 -4.98 115.64 103.74 1wh0 s THR 95 Ca 0.67 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 1wh0 s THR 95 Cb -0.33 -0.23 0.02 0.00 1.34 0.00 0.00 72.50 73.30 1wh0 s THR 95 CO 0.56 -0.18 -0.06 0.72 -0.54 0.00 0.00 174.62 175.11 1wh0 s PHE 96 N -0.57 1.13 -0.16 3.99 -0.12 -1.26 -0.43 117.98 120.56 1wh0 s PHE 96 Ca -0.06 -0.45 -0.09 0.00 -0.05 0.00 0.00 56.93 56.28 1wh0 s PHE 96 Cb -0.04 -0.97 0.05 0.00 -0.63 0.00 0.00 43.02 41.44 1wh0 s PHE 96 CO 0.00 -0.34 0.38 0.00 -0.05 0.00 0.00 175.22 175.21 1wh0 s PHE 98 N 1.28 2.81 0.00 0.00 0.40 -1.26 -0.47 117.98 120.74 1wh0 s PHE 98 Ca -0.09 1.51 0.00 0.00 -0.60 0.00 0.00 56.93 57.75 1wh0 s PHE 98 Cb -0.08 -3.02 0.00 0.00 0.51 0.00 0.00 43.02 40.42 1wh0 s PHE 98 CO -0.11 -1.48 0.00 0.25 0.70 0.00 0.00 175.22 174.58 1wh0 n THR 99 N -2.84 0.00 0.00 0.64 -2.24 0.42 -4.75 114.28 105.51 1wh0 n THR 99 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1wh0 n THR 99 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 -3.00 -0.02 -1.22 6.98 0.00 -1.26 -3.83 120.51 118.17 1wh0 n ALA 100 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1wh0 n ALA 100 Cb 0.00 0.26 0.14 0.00 0.00 0.00 0.00 19.45 19.86 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 -1.36 2.11 -3.97 0.00 3.41 -1.26 -4.89 113.62 107.66 1wh0 n SER 101 Ca 0.00 -3.15 -0.09 0.00 -0.26 0.00 0.00 58.87 55.37 1wh0 n SER 101 Cb 0.00 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.46 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 -2.75 1.42 -0.07 4.33 1.70 -1.21 -2.68 118.95 119.69 1wh0 s ARG 102 Ca 0.31 -1.21 0.01 0.00 -0.47 0.00 0.00 55.73 54.37 1wh0 s ARG 102 Cb 0.28 0.44 -0.03 0.00 -0.57 0.00 0.00 34.95 35.08 1wh0 s ARG 102 CO 0.01 -0.57 -0.09 0.42 -1.08 0.00 0.00 175.30 173.98 1wh0 s ILE 103 N -4.00 3.49 -0.13 4.99 1.01 -0.36 0.16 121.20 126.36 1wh0 s ILE 103 Ca 0.21 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 1wh0 s ILE 103 Cb 0.01 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 1wh0 s ILE 103 CO 0.06 0.59 -0.03 -0.62 0.00 0.00 0.00 174.94 174.94 1wh0 s ASP 104 N -0.66 4.89 -0.12 3.58 2.15 0.38 -1.74 116.67 125.16 1wh0 s ASP 104 Ca 0.10 -0.06 -0.04 0.00 0.43 0.00 0.00 52.55 52.98 1wh0 s ASP 104 Cb -0.11 -1.66 0.05 0.00 -0.30 0.00 0.00 42.92 40.89 1wh0 s ASP 104 CO 0.01 0.23 0.08 -0.63 -0.17 0.00 0.00 175.17 174.69 1wh0 s ILE 105 N 0.01 -0.06 -0.32 4.11 1.01 -1.10 -0.86 121.20 123.98 1wh0 s ILE 105 Ca 0.01 0.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.51 1wh0 s ILE 105 Cb -0.13 -0.44 -0.01 0.00 0.01 0.00 0.00 42.46 41.89 1wh0 s ILE 105 CO 0.02 -0.10 0.56 0.00 0.00 0.00 0.00 174.94 175.42 1wh0 s LEU 107 N 2.48 3.66 -0.42 0.00 1.43 0.81 -1.73 118.68 124.91 1wh0 s LEU 107 Ca 0.22 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.59 1wh0 s LEU 107 Cb -0.15 -1.89 0.02 0.00 0.03 0.00 0.00 46.19 44.20 1wh0 s LEU 107 CO 0.12 -0.13 0.62 -0.60 0.23 0.00 0.00 176.35 176.59 1wh0 s ARG 108 N 1.54 3.33 0.59 1.70 6.06 -1.26 -1.54 118.95 129.37 1wh0 s ARG 108 Ca 0.04 -0.35 -0.13 0.00 -2.50 0.00 0.00 55.73 52.80 1wh0 s ARG 108 Cb -0.16 -3.93 -0.05 0.00 0.06 0.00 0.00 34.95 30.87 1wh0 s ARG 108 CO 0.02 -0.95 1.02 0.15 -2.50 0.00 0.00 175.30 173.05 1wh0 s LYS 109 N 2.73 3.64 0.22 5.12 1.02 0.80 0.49 119.74 133.75 1wh0 s LYS 109 Ca 0.22 0.84 -0.08 0.00 0.02 0.00 0.00 55.97 56.97 1wh0 s LYS 109 Cb -0.14 -2.09 0.17 0.00 -0.52 0.00 0.00 37.83 35.25 1wh0 s LYS 109 CO 0.18 -0.53 1.82 0.00 -0.92 0.00 0.00 175.35 175.90 1wh0 h ARG 110 N 0.04 1.16 0.00 1.68 3.08 -1.87 -3.44 114.38 115.03 1wh0 h ARG 110 Ca -0.45 -0.16 -0.18 0.00 0.07 0.00 0.00 59.98 59.26 1wh0 h ARG 110 Cb 1.19 -0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.98 1wh0 h ARG 110 CO 0.61 0.87 -0.14 1.04 -1.07 0.00 0.00 179.97 181.29 1wh0 n GLN 111 N -4.37 0.31 -1.37 0.04 1.13 -1.26 -5.04 117.38 106.82 1wh0 n GLN 111 Ca 0.08 -1.56 -0.23 0.00 -1.94 0.00 0.00 57.00 53.35 1wh0 n GLN 111 Cb 0.12 1.41 -0.08 0.00 0.11 0.00 0.00 30.24 31.80 1wh0 n GLN 111 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1wh0 n SER 112 N -2.03 6.19 -4.36 1.08 2.88 -1.26 -4.66 113.62 111.45 1wh0 n SER 112 Ca 0.02 -3.04 -0.34 0.00 -1.33 0.00 0.00 58.87 54.18 1wh0 n SER 112 Cb 0.31 -1.27 -0.14 0.00 -0.75 0.00 0.00 64.21 62.35 1wh0 n SER 112 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1wh0 s GLN 113 N -1.10 3.40 0.36 -1.46 0.74 -1.26 -5.05 119.66 115.29 1wh0 s GLN 113 Ca 0.61 -0.66 -0.17 0.00 0.05 0.00 0.00 55.36 55.19 1wh0 s GLN 113 Cb 0.37 -2.77 -0.10 0.00 1.10 0.00 0.00 33.01 31.61 1wh0 s GLN 113 CO -0.17 0.08 0.82 -0.98 -0.55 0.00 0.00 175.29 174.49 1wh0 s ARG 114 N 0.70 4.10 -0.19 1.67 1.04 -1.26 -4.99 118.95 120.02 1wh0 s ARG 114 Ca -0.05 0.85 0.17 0.00 -1.04 0.00 0.00 55.73 55.67 1wh0 s ARG 114 Cb -0.15 -2.35 -0.24 0.00 -2.04 0.00 0.00 34.95 30.17 1wh0 s ARG 114 CO 0.02 0.09 0.07 0.91 -0.04 0.00 0.00 175.30 176.35 1wh0 n TRP 115 N -0.44 0.00 -1.10 5.89 8.01 -1.26 -5.02 117.44 123.53 1wh0 n TRP 115 Ca 0.05 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.24 1wh0 n TRP 115 Cb 0.53 -0.97 0.00 0.00 -2.01 0.00 0.00 31.31 28.87 1wh0 n TRP 115 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1wh0 n GLY 116 N 1.79 0.99 0.00 6.99 0.00 -1.26 -4.99 105.19 108.71 1wh0 n GLY 116 Ca -0.32 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.20 0.28 0.28 -0.02 0.00 -1.26 -5.03 105.19 98.24 1wh0 n GLY 117 Ca 0.00 0.47 -0.03 0.00 0.00 0.00 0.00 46.02 46.46 1wh0 n GLY 117 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1wh0 n LEU 118 N 0.00 -0.56 -4.79 0.99 7.94 -1.26 -4.13 117.00 115.18 1wh0 n LEU 118 Ca 0.00 1.25 -0.39 0.00 -1.11 0.00 0.00 56.01 55.76 1wh0 n LEU 118 Cb 0.00 -0.24 -0.06 0.00 0.53 0.00 0.00 43.42 43.65 1wh0 n LEU 118 CO 0.00 -1.09 0.31 -1.61 -1.11 0.00 0.00 177.39 173.90 1wh0 s GLU 119 N -5.56 4.30 0.49 1.96 2.02 -1.26 -4.28 118.70 116.36 1wh0 s GLU 119 Ca -0.09 0.81 -0.11 0.00 0.02 0.00 0.00 54.97 55.60 1wh0 s GLU 119 Cb 0.12 -3.28 -0.06 0.00 0.10 0.00 0.00 34.13 31.02 1wh0 s GLU 119 CO 0.49 0.53 0.87 0.00 0.02 0.00 0.00 175.26 177.17 1wh0 s ALA 120 N -0.79 3.25 1.16 5.21 0.00 0.19 -4.91 121.76 125.88 1wh0 s ALA 120 Ca 0.31 -0.16 -0.13 0.00 0.00 0.00 0.00 51.96 51.97 1wh0 s ALA 120 Cb -0.20 -2.84 0.20 0.00 0.00 0.00 0.00 23.12 20.28 1wh0 s ALA 120 CO 0.20 -0.26 0.71 -0.35 0.00 0.00 0.00 175.76 176.06 1wh0 n PRO 121 N -1.84 -2.41 -3.64 0.00 -0.04 -1.26 -4.89 135.00 120.93 1wh0 n PRO 121 Ca 0.04 -1.14 -0.08 0.00 -0.04 0.00 0.00 63.50 62.27 1wh0 n PRO 121 Cb 0.54 -1.07 -0.07 0.00 -0.04 0.00 0.00 33.50 32.87 1wh0 n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wh0 s ALA 122 N -3.00 -1.99 0.14 0.55 0.00 -1.26 -5.10 121.76 111.09 1wh0 s ALA 122 Ca 0.46 1.99 -0.15 0.00 0.00 0.00 0.00 51.96 54.27 1wh0 s ALA 122 Cb -0.05 -1.45 0.02 0.00 0.00 0.00 0.00 23.12 21.64 1wh0 s ALA 122 CO 0.35 -0.28 0.39 0.00 0.00 0.00 0.00 175.76 176.22 1wh0 s ALA 123 N 0.54 -0.73 -0.61 0.00 0.00 -1.26 -5.05 121.76 114.65 1wh0 s ALA 123 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 1wh0 s ALA 123 Cb -0.05 0.72 0.34 0.00 0.00 0.00 0.00 23.12 24.14 1wh0 s ALA 123 CO -0.08 -0.66 2.11 -2.13 0.00 0.00 0.00 175.76 175.00 1wh0 n ARG 124 N -0.23 2.48 -0.65 0.00 3.00 -1.26 -4.68 116.66 115.31 1wh0 n ARG 124 Ca -0.14 -2.86 -0.06 0.00 -0.00 0.00 0.00 57.85 54.79 1wh0 n ARG 124 Cb 0.63 -2.12 0.01 0.00 0.00 0.00 0.00 32.46 30.98 1wh0 n ARG 124 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1wh0 n VAL 125 N -0.39 2.30 0.00 5.15 3.14 -1.26 -4.74 118.33 122.53 1wh0 n VAL 125 Ca 0.53 -0.94 0.00 0.00 -2.96 0.00 0.00 64.34 60.96 1wh0 n VAL 125 Cb 0.55 -1.45 0.00 0.00 -1.06 0.00 0.00 33.84 31.88 1wh0 n VAL 125 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wh0 n GLY 126 N 1.08 2.98 0.00 7.55 0.00 -1.26 -4.96 105.19 110.59 1wh0 n GLY 126 Ca 0.12 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 -1.31 0.79 -0.02 0.00 -1.26 -5.07 105.19 98.31 1wh0 n GLY 127 Ca 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 46.02 44.84 1wh0 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 n ALA 128 N 0.00 2.39 -2.82 4.61 0.00 -1.26 -5.02 120.51 118.41 1wh0 n ALA 128 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1wh0 n ALA 128 Cb 0.00 0.15 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1wh0 n ALA 128 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1wh0 s SER 129 N -5.67 0.69 0.00 0.00 1.04 -1.26 -5.11 113.70 103.39 1wh0 s SER 129 Ca -0.06 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 54.98 1wh0 s SER 129 Cb 0.01 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1wh0 s SER 129 CO 0.08 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.72 1wh0 n GLY 130 N -0.50 -1.19 3.05 7.32 0.00 -1.26 -5.18 105.19 107.44 1wh0 n GLY 130 Ca 0.01 0.35 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.88 -3.58 1.61 -0.04 -1.26 -5.10 135.00 123.75 1wh0 n PRO 131 Ca 0.00 -1.52 -0.06 0.00 -0.04 0.00 0.00 63.50 61.88 1wh0 n PRO 131 Cb 0.00 -1.43 -0.03 0.00 -0.04 0.00 0.00 33.50 32.01 1wh0 n PRO 131 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh0 s SER 132 N -4.07 -0.19 -0.16 3.54 0.15 -1.26 -5.09 113.70 106.63 1wh0 s SER 132 Ca 0.62 0.05 -0.10 0.00 0.70 0.00 0.00 55.95 57.22 1wh0 s SER 132 Cb -0.06 0.19 -0.07 0.00 -1.71 0.00 0.00 66.02 64.37 1wh0 s SER 132 CO 0.47 -0.29 -0.23 -1.20 1.20 0.00 0.00 173.24 173.19 1wh0 n SER 133 N 0.03 1.35 0.00 5.45 7.64 -1.26 -5.38 113.62 121.46 1wh0 n SER 133 Ca -0.02 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1wh0 n SER 133 Cb 0.59 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1wh0 n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64