#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 -2.52 -0.11 1.61 3.41 -1.26 -5.01 113.62 109.75 1wh0 n SER 2 Ca 0.00 -0.38 -0.22 0.00 -0.26 0.00 0.00 58.87 58.01 1wh0 n SER 2 Cb 0.00 -1.16 -0.07 0.00 -0.26 0.00 0.00 64.21 62.71 1wh0 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wh0 n SER 3 N -5.03 1.68 0.00 4.04 7.64 -1.26 -5.13 113.62 115.56 1wh0 n SER 3 Ca 0.05 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.22 1wh0 n SER 3 Cb 0.56 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1wh0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh0 n GLY 4 N 1.57 0.15 2.57 0.23 0.00 -1.26 -5.05 105.19 103.40 1wh0 n GLY 4 Ca -0.40 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.39 1wh0 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wh0 n SER 5 N 0.00 -0.33 0.00 1.61 3.41 -1.26 -4.85 113.62 112.20 1wh0 n SER 5 Ca 0.00 0.85 0.00 0.00 -0.26 0.00 0.00 58.87 59.46 1wh0 n SER 5 Cb 0.00 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.26 1wh0 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wh0 n SER 6 N 1.24 0.00 0.00 4.04 7.64 -1.26 -5.00 113.62 120.28 1wh0 n SER 6 Ca 0.14 0.93 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1wh0 n SER 6 Cb 0.10 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1wh0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh0 n GLY 7 N -0.96 -1.74 3.52 0.23 0.00 -1.26 -5.15 105.19 99.83 1wh0 n GLY 7 Ca 0.00 0.71 -0.29 0.00 0.00 0.00 0.00 46.02 46.44 1wh0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh0 s VAL 8 N 0.00 2.03 -0.20 1.61 0.11 -1.26 -4.84 120.40 117.85 1wh0 s VAL 8 Ca 0.00 0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.78 1wh0 s VAL 8 Cb 0.00 -2.06 -0.05 0.00 -1.53 0.00 0.00 36.38 32.74 1wh0 s VAL 8 CO 0.00 -0.01 2.13 -0.62 -3.33 0.00 0.00 175.10 173.27 1wh0 s ASP 9 N -2.53 5.65 0.82 3.54 2.15 -1.26 -4.91 116.67 120.13 1wh0 s ASP 9 Ca 0.68 1.93 -0.17 0.00 0.43 0.00 0.00 52.55 55.41 1wh0 s ASP 9 Cb -0.25 -2.52 -0.14 0.00 -0.30 0.00 0.00 42.92 39.72 1wh0 s ASP 9 CO 0.64 -1.80 -0.49 -0.62 -0.17 0.00 0.00 175.17 172.72 1wh0 n GLU 10 N 8.54 0.00 0.00 4.34 -0.58 -1.26 -4.74 120.64 126.94 1wh0 n GLU 10 Ca 0.27 0.00 0.05 0.00 -0.42 0.00 0.00 57.16 57.07 1wh0 n GLU 10 Cb 0.45 -1.05 0.28 0.00 -0.57 0.00 0.00 31.44 30.54 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 1.93 0.49 -0.27 3.49 -0.04 -1.26 -4.08 135.00 135.25 1wh0 n PRO 11 Ca 0.02 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 1wh0 n PRO 11 Cb 0.53 -1.30 0.10 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.80 -0.07 -0.28 0.54 0.28 -1.26 0.24 120.64 119.29 1wh0 n GLU 12 Ca 0.07 1.17 0.01 0.00 -0.16 0.00 0.00 57.16 58.24 1wh0 n GLU 12 Cb 0.03 -1.74 0.14 0.00 1.43 0.00 0.00 31.44 31.30 1wh0 n GLU 12 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1wh0 h SER 13 N 0.00 0.68 -4.22 -1.84 0.02 -1.94 -3.42 113.55 102.83 1wh0 h SER 13 Ca 0.36 0.03 -0.50 0.00 -0.84 0.00 0.00 61.79 60.85 1wh0 h SER 13 Cb 0.54 -0.10 0.07 0.00 0.14 0.00 0.00 62.40 63.05 1wh0 h SER 13 CO -0.77 0.41 0.38 -0.04 -1.14 0.00 0.00 176.83 175.67 1wh0 s MET 14 N -6.06 3.26 0.04 3.45 -1.94 0.65 -4.95 119.30 113.75 1wh0 s MET 14 Ca -0.13 1.17 -0.14 0.00 -1.71 0.00 0.00 55.69 54.89 1wh0 s MET 14 Cb 0.18 -2.03 -0.06 0.00 2.01 0.00 0.00 34.83 34.94 1wh0 s MET 14 CO 0.78 -0.86 0.43 0.08 -0.01 0.00 0.00 175.02 175.44 1wh0 s VAL 15 N -2.54 5.01 -0.20 -6.03 1.01 -0.47 -4.96 120.40 112.22 1wh0 s VAL 15 Ca 0.63 0.75 -0.04 0.00 0.00 0.00 0.00 61.98 63.32 1wh0 s VAL 15 Cb -0.16 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1wh0 s VAL 15 CO 0.39 0.46 -0.02 0.20 0.00 0.00 0.00 175.10 176.13 1wh0 s ASN 16 N -1.34 4.59 0.18 3.32 0.01 -1.26 0.18 114.94 120.62 1wh0 s ASN 16 Ca 0.28 -0.27 -0.30 0.00 -0.71 0.00 0.00 52.86 51.86 1wh0 s ASN 16 Cb -0.16 -1.78 -0.08 0.00 0.41 0.00 0.00 41.25 39.65 1wh0 s ASN 16 CO 0.16 0.05 0.97 -0.76 -1.51 0.00 0.00 177.10 176.01 1wh0 s LEU 17 N 1.10 4.56 0.03 0.60 1.43 -0.70 -4.88 118.68 120.82 1wh0 s LEU 17 Ca 0.02 1.92 0.21 0.00 -1.03 0.00 0.00 54.13 55.24 1wh0 s LEU 17 Cb -0.15 -3.60 -0.20 0.00 0.03 0.00 0.00 46.19 42.27 1wh0 s LEU 17 CO 0.01 0.01 0.65 0.00 0.23 0.00 0.00 176.35 177.25 1wh0 n ALA 18 N 2.12 2.45 -3.65 4.21 0.00 -1.26 -4.54 120.51 119.85 1wh0 n ALA 18 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 53.44 52.90 1wh0 n ALA 18 Cb 0.48 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.27 -1.28 -0.13 0.00 5.36 -1.26 -5.10 117.98 112.29 1wh0 s PHE 19 Ca -0.05 2.28 0.02 0.00 -0.96 0.00 0.00 56.93 58.21 1wh0 s PHE 19 Cb 0.11 0.76 -0.00 0.00 -0.34 0.00 0.00 43.02 43.55 1wh0 s PHE 19 CO 0.85 -0.64 -0.19 0.08 -1.46 0.00 0.00 175.22 173.86 1wh0 s VAL 20 N 2.68 2.43 -0.40 3.12 1.01 -1.26 -5.06 120.40 122.92 1wh0 s VAL 20 Ca -0.07 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 60.78 1wh0 s VAL 20 Cb -0.11 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1wh0 s VAL 20 CO -0.19 0.54 2.19 -0.75 0.00 0.00 0.00 175.10 176.89 1wh0 s LYS 21 N 0.56 2.66 0.21 2.72 2.36 -1.26 -4.90 119.74 122.09 1wh0 s LYS 21 Ca -0.11 1.50 -0.15 0.00 -2.55 0.00 0.00 55.97 54.66 1wh0 s LYS 21 Cb -0.16 -4.44 0.01 0.00 -1.05 0.00 0.00 37.83 32.19 1wh0 s LYS 21 CO 0.04 -2.65 0.49 0.54 1.55 0.00 0.00 175.35 175.32 1wh0 s ASN 22 N 9.60 -0.18 -0.05 1.43 6.03 -1.26 -0.20 114.94 130.32 1wh0 s ASN 22 Ca 0.92 -0.64 -0.02 0.00 -1.03 0.00 0.00 52.86 52.09 1wh0 s ASN 22 Cb -0.22 0.57 0.03 0.00 -3.03 0.00 0.00 41.25 38.60 1wh0 s ASN 22 CO 0.29 -1.06 0.08 -0.62 -2.03 0.00 0.00 177.10 173.76 1wh0 s ASP 23 N -2.92 0.65 -0.12 3.54 2.15 0.13 -4.93 116.67 115.17 1wh0 s ASP 23 Ca 0.13 0.14 0.02 0.00 0.43 0.00 0.00 52.55 53.27 1wh0 s ASP 23 Cb -0.01 -0.01 -0.01 0.00 -0.30 0.00 0.00 42.92 42.60 1wh0 s ASP 23 CO 0.01 -0.21 -0.19 -0.94 -0.17 0.00 0.00 175.17 173.67 1wh0 s SER 24 N 1.79 3.52 0.12 -0.34 1.04 -1.26 0.54 113.70 119.11 1wh0 s SER 24 Ca -0.01 -0.46 0.07 0.00 0.48 0.00 0.00 55.95 56.04 1wh0 s SER 24 Cb -0.12 -1.51 -0.04 0.00 0.10 0.00 0.00 66.02 64.45 1wh0 s SER 24 CO -0.04 0.15 -0.08 -0.72 0.98 0.00 0.00 173.24 173.54 1wh0 s TYR 25 N 0.40 2.76 -0.58 5.02 1.13 -0.60 -4.97 117.35 120.51 1wh0 s TYR 25 Ca -0.14 -0.15 -0.28 0.00 -1.41 0.00 0.00 57.07 55.09 1wh0 s TYR 25 Cb -0.17 -1.42 0.01 0.00 -1.10 0.00 0.00 41.96 39.29 1wh0 s TYR 25 CO 0.06 0.45 1.40 -1.21 -2.51 0.00 0.00 175.55 173.75 1wh0 s GLU 26 N -2.39 3.28 0.19 -3.49 2.02 -1.26 -2.55 118.70 114.49 1wh0 s GLU 26 Ca 0.23 0.38 0.04 0.00 0.02 0.00 0.00 54.97 55.64 1wh0 s GLU 26 Cb -0.11 -4.13 -0.03 0.00 0.10 0.00 0.00 34.13 29.96 1wh0 s GLU 26 CO 0.15 -1.97 0.28 0.21 0.02 0.00 0.00 175.26 173.94 1wh0 s LYS 27 N 5.55 3.30 0.15 1.61 2.20 0.25 -4.98 119.74 127.82 1wh0 s LYS 27 Ca 0.51 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.37 1wh0 s LYS 27 Cb -0.10 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1wh0 s LYS 27 CO 0.24 0.47 0.00 0.41 -0.36 0.00 0.00 175.35 176.11 1wh0 n GLY 28 N -0.86 0.24 0.10 5.54 0.00 -1.26 -1.24 105.19 107.70 1wh0 n GLY 28 Ca -0.08 -0.48 -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 -0.12 0.00 1.61 0.13 -2.00 -3.36 132.00 128.26 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 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1wh0 h PRO 29 CO 0.00 0.32 -0.12 -0.40 -0.23 0.00 0.00 178.00 177.58 1wh0 n ASP 30 N -4.92 1.79 -4.85 1.44 5.68 -1.26 -4.75 116.55 109.67 1wh0 n ASP 30 Ca -0.09 -2.82 -0.35 0.00 -0.50 0.00 0.00 54.79 51.03 1wh0 n ASP 30 Cb 0.25 -0.37 -0.06 0.00 -1.14 0.00 0.00 41.12 39.81 1wh0 n ASP 30 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1wh0 s SER 31 N -2.42 6.74 -0.24 -1.12 0.01 -0.38 -0.57 113.70 115.72 1wh0 s SER 31 Ca 0.24 0.95 -0.03 0.00 1.31 0.00 0.00 55.95 58.43 1wh0 s SER 31 Cb 0.21 -2.24 0.11 0.00 0.21 0.00 0.00 66.02 64.31 1wh0 s SER 31 CO 0.02 0.12 0.24 -0.69 0.41 0.00 0.00 173.24 173.35 1wh0 s VAL 32 N -1.45 -0.34 0.16 3.43 1.01 -0.66 -0.58 120.40 121.97 1wh0 s VAL 32 Ca 0.36 -0.29 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 1wh0 s VAL 32 Cb -0.14 -0.81 -0.07 0.00 0.00 0.00 0.00 36.38 35.36 1wh0 s VAL 32 CO 0.19 -0.33 0.56 -0.69 0.00 0.00 0.00 175.10 174.82 1wh0 s VAL 33 N 2.33 4.86 -0.04 2.92 1.01 -1.06 -0.13 120.40 130.28 1wh0 s VAL 33 Ca 0.08 0.79 0.05 0.00 0.00 0.00 0.00 61.98 62.90 1wh0 s VAL 33 Cb -0.15 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1wh0 s VAL 33 CO -0.21 0.19 -0.19 -0.69 0.00 0.00 0.00 175.10 174.19 1wh0 s VAL 34 N -1.53 1.59 -0.35 2.92 1.01 -0.44 -1.56 120.40 122.04 1wh0 s VAL 34 Ca 0.40 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1wh0 s VAL 34 Cb -0.14 -1.35 0.09 0.00 0.00 0.00 0.00 36.38 34.98 1wh0 s VAL 34 CO 0.19 0.45 0.08 -1.00 0.00 0.00 0.00 175.10 174.82 1wh0 s HIS 35 N -0.08 3.60 -0.20 5.22 3.76 0.19 -2.44 115.29 125.35 1wh0 s HIS 35 Ca -0.02 -2.62 -0.18 0.00 -0.15 0.00 0.00 55.06 52.09 1wh0 s HIS 35 Cb -0.11 -2.83 -0.03 0.00 1.11 0.00 0.00 32.58 30.71 1wh0 s HIS 35 CO 0.02 -0.93 0.52 0.08 -0.85 0.00 0.00 174.74 173.57 1wh0 s VAL 36 N 1.04 5.11 -0.55 -0.90 1.01 -0.55 0.17 120.40 125.73 1wh0 s VAL 36 Ca 0.06 0.95 -0.28 0.00 0.00 0.00 0.00 61.98 62.72 1wh0 s VAL 36 Cb -0.20 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.37 1wh0 s VAL 36 CO -0.06 0.18 1.13 -0.31 0.00 0.00 0.00 175.10 176.04 1wh0 s TYR 37 N 1.59 2.69 -0.16 5.22 1.51 0.72 -1.02 117.35 127.91 1wh0 s TYR 37 Ca 0.24 0.41 -0.31 0.00 -1.01 0.00 0.00 57.07 56.40 1wh0 s TYR 37 Cb -0.15 -4.40 0.14 0.00 -0.11 0.00 0.00 41.96 37.43 1wh0 s TYR 37 CO 0.10 -1.46 1.09 0.54 -1.11 0.00 0.00 175.55 174.71 1wh0 s VAL 38 N 4.63 0.00 0.29 0.71 0.11 -1.11 -4.76 120.40 120.27 1wh0 s VAL 38 Ca 0.42 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.51 1wh0 s VAL 38 Cb -0.08 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.73 1wh0 s VAL 38 CO 0.26 0.00 0.21 -0.54 -3.33 0.00 0.00 175.10 171.69 1wh0 s LYS 39 N -1.72 1.56 -1.39 1.54 1.02 -1.26 -3.21 119.74 116.28 1wh0 s LYS 39 Ca 0.04 -1.88 -0.04 0.00 0.02 0.00 0.00 55.97 54.10 1wh0 s LYS 39 Cb -0.01 0.20 0.03 0.00 -0.52 0.00 0.00 37.83 37.53 1wh0 s LYS 39 CO -0.03 -0.53 0.76 0.39 -0.92 0.00 0.00 175.35 175.02 1wh0 n GLU 40 N -0.51 -4.96 -3.66 1.68 1.02 -1.26 -3.22 120.64 109.74 1wh0 n GLU 40 Ca 0.04 0.59 -0.32 0.00 -0.02 0.00 0.00 57.16 57.46 1wh0 n GLU 40 Cb 0.64 -5.22 -0.05 0.00 -0.02 0.00 0.00 31.44 26.79 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 -3.58 5.15 -0.51 -3.67 1.01 -1.26 -0.04 121.20 118.30 1wh0 s ILE 41 Ca 0.21 0.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.78 1wh0 s ILE 41 Cb -0.11 -3.62 0.09 0.00 0.01 0.00 0.00 42.46 38.83 1wh0 s ILE 41 CO 0.82 0.06 0.50 0.00 0.00 0.00 0.00 174.94 176.32 1wh0 n ARG 43 N 5.52 0.29 -0.00 0.00 1.74 -1.26 -0.02 116.66 122.93 1wh0 n ARG 43 Ca -0.11 0.11 -0.10 0.00 -0.77 0.00 0.00 57.85 56.97 1wh0 n ARG 43 Cb 0.43 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.23 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 -0.03 0.55 3.32 -2.00 -3.37 116.42 114.95 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 0.11 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1wh0 h ASP 44 CO 0.00 1.10 0.00 0.35 -1.72 0.00 0.00 179.24 178.97 1wh0 n THR 45 N -3.15 0.45 -3.70 0.35 -2.24 -0.94 -4.97 114.28 100.08 1wh0 n THR 45 Ca -0.16 -0.72 -0.38 0.00 -2.27 0.00 0.00 64.05 60.52 1wh0 n THR 45 Cb 1.04 0.80 -0.12 0.00 -2.10 0.00 0.00 70.33 69.95 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 -0.54 5.35 0.43 3.42 0.01 0.97 -4.59 113.70 118.75 1wh0 s SER 46 Ca 0.03 -0.56 0.04 0.00 1.31 0.00 0.00 55.95 56.77 1wh0 s SER 46 Cb 0.02 -1.95 -0.02 0.00 0.21 0.00 0.00 66.02 64.29 1wh0 s SER 46 CO 0.03 -0.18 0.15 0.00 0.41 0.00 0.00 173.24 173.65 1wh0 s ARG 47 N 1.57 2.00 -0.04 12.44 1.70 0.35 -4.75 118.95 132.23 1wh0 s ARG 47 Ca 0.04 -2.24 -0.01 0.00 -0.47 0.00 0.00 55.73 53.05 1wh0 s ARG 47 Cb -0.17 -0.53 0.03 0.00 -0.57 0.00 0.00 34.95 33.71 1wh0 s ARG 47 CO 0.05 -0.55 0.07 0.08 -1.08 0.00 0.00 175.30 173.87 1wh0 s VAL 48 N -3.17 -0.06 -0.39 4.99 1.01 -1.26 -0.94 120.40 120.58 1wh0 s VAL 48 Ca 0.22 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 1wh0 s VAL 48 Cb 0.01 -0.14 0.07 0.00 0.00 0.00 0.00 36.38 36.32 1wh0 s VAL 48 CO 0.15 0.09 0.20 -0.76 0.00 0.00 0.00 175.10 174.78 1wh0 s LEU 49 N 1.13 4.88 -0.41 3.92 1.43 0.69 -4.99 118.68 125.33 1wh0 s LEU 49 Ca -0.09 -1.44 -0.24 0.00 -1.03 0.00 0.00 54.13 51.33 1wh0 s LEU 49 Cb -0.12 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1wh0 s LEU 49 CO -0.04 -0.47 0.82 -0.36 0.23 0.00 0.00 176.35 176.53 1wh0 s PHE 50 N 1.38 3.04 0.53 0.29 0.08 -1.26 -0.80 117.98 121.24 1wh0 s PHE 50 Ca 0.02 0.43 -0.00 0.00 0.12 0.00 0.00 56.93 57.50 1wh0 s PHE 50 Cb -0.22 -3.59 0.11 0.00 -0.57 0.00 0.00 43.02 38.75 1wh0 s PHE 50 CO 0.02 -0.88 0.73 0.54 -0.10 0.00 0.00 175.22 175.53 1wh0 n ARG 51 N 6.66 0.08 0.09 0.44 5.12 0.50 -4.60 116.66 124.95 1wh0 n ARG 51 Ca 0.04 -1.97 -0.22 0.00 -1.93 0.00 0.00 57.85 53.77 1wh0 n ARG 51 Cb 0.48 -0.48 -0.15 0.00 -1.16 0.00 0.00 32.46 31.15 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 0.41 -0.00 5.56 4.11 -1.97 -3.32 114.58 119.37 1wh0 h GLU 52 Ca -0.24 -0.70 -0.00 0.00 0.07 0.00 0.00 59.36 58.49 1wh0 h GLU 52 Cb 0.88 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1wh0 h GLU 52 CO 0.26 1.32 -0.04 0.94 0.07 0.00 0.00 179.01 181.55 1wh0 n GLN 53 N -3.60 1.32 -3.05 1.06 7.27 -1.26 0.36 117.38 119.47 1wh0 n GLN 53 Ca -0.21 -2.64 0.00 0.00 0.07 0.00 0.00 57.00 54.22 1wh0 n GLN 53 Cb 1.08 -1.51 0.01 0.00 2.41 0.00 0.00 30.24 32.23 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 -1.41 -0.89 -3.43 1.69 5.75 -1.26 -2.50 116.55 114.50 1wh0 n ASP 54 Ca 0.16 -1.34 0.01 0.00 -0.01 0.00 0.00 54.79 53.61 1wh0 n ASP 54 Cb 0.65 1.41 -0.03 0.00 -1.03 0.00 0.00 41.12 42.12 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 -2.98 -1.07 -0.05 2.11 -0.12 -1.08 -0.37 117.98 114.43 1wh0 s PHE 55 Ca 0.16 1.65 -0.04 0.00 -0.05 0.00 0.00 56.93 58.65 1wh0 s PHE 55 Cb -0.01 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 1wh0 s PHE 55 CO 0.01 -0.54 0.16 0.99 -0.05 0.00 0.00 175.22 175.79 1wh0 s THR 56 N 2.73 5.37 -0.23 -4.49 2.01 0.02 -2.60 115.64 118.45 1wh0 s THR 56 Ca -0.00 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.94 1wh0 s THR 56 Cb -0.10 -3.45 0.06 0.00 0.01 0.00 0.00 72.50 69.02 1wh0 s THR 56 CO -0.18 0.43 -0.07 -0.22 -0.69 0.00 0.00 174.62 173.89 1wh0 s LEU 57 N -1.61 2.66 -0.32 4.42 2.96 0.08 -0.22 118.68 126.65 1wh0 s LEU 57 Ca 0.23 -1.17 -0.10 0.00 -0.22 0.00 0.00 54.13 52.87 1wh0 s LEU 57 Cb -0.12 -1.24 0.00 0.00 0.50 0.00 0.00 46.19 45.33 1wh0 s LEU 57 CO 0.13 -0.22 0.16 -0.63 -1.32 0.00 0.00 176.35 174.47 1wh0 s ILE 58 N 1.35 4.51 -0.15 6.68 1.09 -0.12 -1.58 121.20 132.99 1wh0 s ILE 58 Ca -0.06 -0.56 -0.14 0.00 -1.10 0.00 0.00 60.65 58.79 1wh0 s ILE 58 Cb -0.19 -3.36 0.04 0.00 -1.06 0.00 0.00 42.46 37.90 1wh0 s ILE 58 CO -0.06 -0.00 0.41 0.72 -0.10 0.00 0.00 174.94 175.90 1wh0 s PHE 59 N 1.58 -0.45 -0.41 3.97 -0.12 -1.07 0.13 117.98 121.60 1wh0 s PHE 59 Ca 0.04 1.09 -0.13 0.00 -0.05 0.00 0.00 56.93 57.89 1wh0 s PHE 59 Cb -0.18 0.16 0.05 0.00 -0.63 0.00 0.00 43.02 42.42 1wh0 s PHE 59 CO 0.06 -0.22 0.28 -0.65 -0.05 0.00 0.00 175.22 174.64 1wh0 s GLN 60 N 0.26 2.85 0.12 1.99 -0.21 -1.26 -3.71 119.66 119.70 1wh0 s GLN 60 Ca -0.00 -1.21 -0.08 0.00 0.02 0.00 0.00 55.36 54.09 1wh0 s GLN 60 Cb -0.03 -3.89 -0.06 0.00 1.00 0.00 0.00 33.01 30.03 1wh0 s GLN 60 CO 0.00 -0.84 0.41 -0.08 -2.12 0.00 0.00 175.29 172.66 1wh0 s THR 61 N 1.58 5.10 -0.35 -0.19 -1.32 -1.26 -2.36 115.64 116.84 1wh0 s THR 61 Ca 0.03 0.28 0.08 0.00 -1.21 0.00 0.00 61.69 60.87 1wh0 s THR 61 Cb -0.21 -3.63 -0.09 0.00 -1.51 0.00 0.00 72.50 67.06 1wh0 s THR 61 CO 0.06 0.14 0.33 0.54 -2.21 0.00 0.00 174.62 173.48 1wh0 n ARG 62 N 0.43 4.06 -1.66 7.08 1.74 0.94 -4.10 116.66 125.15 1wh0 n ARG 62 Ca -0.05 -0.01 -0.47 0.00 -0.77 0.00 0.00 57.85 56.55 1wh0 n ARG 62 Cb 0.52 -0.90 -0.05 0.00 -1.02 0.00 0.00 32.46 31.01 1wh0 n ARG 62 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wh0 n ASP 63 N -1.23 3.46 0.22 0.55 2.03 -1.20 -4.83 116.55 115.56 1wh0 n ASP 63 Ca 0.01 0.89 0.15 0.00 0.52 0.00 0.00 54.79 56.36 1wh0 n ASP 63 Cb 0.13 -1.39 0.80 0.00 -0.72 0.00 0.00 41.12 39.93 1wh0 n ASP 63 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1wh0 h GLY 64 N 9.94 0.00 1.01 0.27 0.00 -1.94 -0.03 103.07 112.32 1wh0 h GLY 64 Ca -0.47 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1wh0 h GLY 64 CO 0.95 0.00 -0.13 3.43 0.00 0.00 0.00 176.54 180.79 1wh0 h ASN 65 N 0.00 0.84 0.89 0.19 2.35 -1.99 0.18 115.58 118.05 1wh0 h ASN 65 Ca 0.06 -0.38 -0.21 0.00 -0.55 0.00 0.00 56.30 55.22 1wh0 h ASN 65 Cb 0.29 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1wh0 h ASN 65 CO -0.00 1.02 -1.00 0.15 -1.65 0.00 0.00 177.43 175.95 1wh0 h PHE 66 N 0.64 0.09 0.04 1.19 3.04 -1.69 -3.33 116.94 116.93 1wh0 h PHE 66 Ca 0.10 -0.07 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1wh0 h PHE 66 Cb 0.68 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.18 1wh0 h PHE 66 CO 0.05 1.02 -0.02 -0.07 -2.02 0.00 0.00 178.31 177.27 1wh0 h LEU 67 N 0.02 -0.04 -1.29 0.59 3.38 -0.97 -3.25 115.31 113.75 1wh0 h LEU 67 Ca -0.03 -0.62 0.42 0.00 0.09 0.00 0.00 57.88 57.74 1wh0 h LEU 67 Cb 1.74 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 42.36 1wh0 h LEU 67 CO 0.14 0.63 0.77 0.03 0.09 0.00 0.00 178.44 180.10 1wh0 h ARG 68 N -0.76 0.09 -0.72 1.13 3.08 -0.76 1.04 114.38 117.47 1wh0 h ARG 68 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1wh0 h ARG 68 Cb 0.66 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 1wh0 h ARG 68 CO 0.01 0.06 0.41 -0.07 -1.07 0.00 0.00 179.97 179.31 1wh0 h LEU 69 N 0.09 0.89 -7.81 3.04 3.38 -1.66 -3.35 115.31 109.89 1wh0 h LEU 69 Ca 0.82 -0.08 -0.75 0.00 0.09 0.00 0.00 57.88 57.96 1wh0 h LEU 69 Cb 2.43 -0.23 -0.29 0.00 0.09 0.00 0.00 40.66 42.67 1wh0 h LEU 69 CO -0.51 0.71 -0.16 -1.00 0.09 0.00 0.00 178.44 177.58 1wh0 s HIS 70 N -5.90 3.55 0.72 1.13 3.76 0.36 -5.07 115.29 113.83 1wh0 s HIS 70 Ca -0.13 -2.09 -0.13 0.00 -0.15 0.00 0.00 55.06 52.57 1wh0 s HIS 70 Cb 0.15 -3.59 0.03 0.00 1.11 0.00 0.00 32.58 30.28 1wh0 s HIS 70 CO 0.79 -0.95 1.10 -1.25 -0.85 0.00 0.00 174.74 173.58 1wh0 s PRO 71 N 0.49 2.50 0.00 8.40 0.04 -1.25 -3.47 135.00 141.71 1wh0 s PRO 71 Ca 0.14 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1wh0 s PRO 71 Cb -0.18 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1wh0 s PRO 71 CO -0.05 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 175.94 1wh0 n GLY 72 N -0.90 2.50 3.82 0.56 0.00 -1.26 -4.99 105.19 104.91 1wh0 n GLY 72 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.47 3.80 0.19 0.00 0.00 -1.26 -5.00 105.19 101.45 1wh0 n GLY 74 Ca -0.10 -1.05 -0.03 0.00 0.00 0.00 0.00 46.02 44.84 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 0.25 -0.20 1.61 0.13 -1.89 -2.67 132.00 129.23 1wh0 h PRO 75 Ca 0.00 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 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 0.66 0.00 -2.39 -0.23 0.00 0.00 178.00 176.04 1wh0 n HIS 76 N -3.99 0.26 -3.10 1.56 1.44 -1.26 -4.41 115.22 105.72 1wh0 n HIS 76 Ca -0.02 -0.13 -0.41 0.00 -2.01 0.00 0.00 57.72 55.15 1wh0 n HIS 76 Cb 0.52 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.56 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 -1.74 4.97 0.27 0.61 2.01 -1.01 -5.04 115.64 115.73 1wh0 s THR 77 Ca 0.27 1.13 -0.29 0.00 0.31 0.00 0.00 61.69 63.11 1wh0 s THR 77 Cb 0.14 -3.95 -0.10 0.00 0.01 0.00 0.00 72.50 68.61 1wh0 s THR 77 CO 0.21 0.01 1.26 -0.89 -0.69 0.00 0.00 174.62 174.52 1wh0 s THR 78 N 2.53 3.07 -0.18 -0.82 2.01 -1.26 -4.67 115.64 116.31 1wh0 s THR 78 Ca 0.26 1.00 0.01 0.00 0.31 0.00 0.00 61.69 63.27 1wh0 s THR 78 Cb -0.15 -3.64 0.03 0.00 0.01 0.00 0.00 72.50 68.75 1wh0 s THR 78 CO 0.09 0.21 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.72 1wh0 s PHE 79 N -0.72 2.47 -0.37 4.92 0.08 -1.24 -1.37 117.98 121.75 1wh0 s PHE 79 Ca 0.50 -1.52 -0.08 0.00 0.12 0.00 0.00 56.93 55.96 1wh0 s PHE 79 Cb -0.37 -1.71 0.05 0.00 -0.57 0.00 0.00 43.02 40.42 1wh0 s PHE 79 CO 0.45 -0.74 0.17 0.50 -0.10 0.00 0.00 175.22 175.50 1wh0 s ARG 80 N 1.38 2.63 -0.52 0.44 3.52 0.13 -2.61 118.95 123.92 1wh0 s ARG 80 Ca 0.02 -1.26 -0.16 0.00 -0.13 0.00 0.00 55.73 54.21 1wh0 s ARG 80 Cb -0.14 -3.60 0.11 0.00 -1.56 0.00 0.00 34.95 29.76 1wh0 s ARG 80 CO -0.10 -0.76 0.48 -0.46 -0.81 0.00 0.00 175.30 173.65 1wh0 s TRP 81 N 1.43 3.24 -0.21 5.12 -0.00 -0.61 -1.72 118.94 126.18 1wh0 s TRP 81 Ca 0.01 -1.16 -0.12 0.00 -0.00 0.00 0.00 56.10 54.82 1wh0 s TRP 81 Cb -0.20 -3.62 -0.05 0.00 -0.00 0.00 0.00 33.47 29.60 1wh0 s TRP 81 CO 0.03 -0.97 0.24 -1.14 -0.00 0.00 0.00 176.95 175.12 1wh0 s GLN 82 N 1.67 4.14 -0.19 5.86 0.74 -1.26 -0.74 119.66 129.88 1wh0 s GLN 82 Ca 0.04 -0.08 -0.01 0.00 0.05 0.00 0.00 55.36 55.36 1wh0 s GLN 82 Cb -0.28 -3.51 0.01 0.00 1.10 0.00 0.00 33.01 30.33 1wh0 s GLN 82 CO 0.04 0.09 -0.14 0.08 -0.55 0.00 0.00 175.29 174.81 1wh0 s VAL 83 N 0.95 2.53 -0.43 1.34 1.01 -1.07 -5.00 120.40 119.73 1wh0 s VAL 83 Ca 0.12 -0.78 -0.23 0.00 0.00 0.00 0.00 61.98 61.09 1wh0 s VAL 83 Cb -0.13 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1wh0 s VAL 83 CO 0.04 0.50 0.77 -0.75 0.00 0.00 0.00 175.10 175.67 1wh0 s LYS 84 N 1.35 3.49 -0.13 2.72 2.20 -1.26 -2.62 119.74 125.48 1wh0 s LYS 84 Ca 0.05 -0.02 -0.20 0.00 -0.36 0.00 0.00 55.97 55.44 1wh0 s LYS 84 Cb -0.13 -3.91 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 1wh0 s LYS 84 CO -0.09 -1.04 0.56 -0.51 -0.36 0.00 0.00 175.35 173.91 1wh0 s LEU 85 N 3.21 4.24 0.10 5.43 1.43 -1.04 -0.06 118.68 131.99 1wh0 s LEU 85 Ca 0.30 0.88 -0.28 0.00 -1.03 0.00 0.00 54.13 54.00 1wh0 s LEU 85 Cb -0.12 -2.82 -0.12 0.00 0.03 0.00 0.00 46.19 43.16 1wh0 s LEU 85 CO 0.21 -0.10 1.64 0.03 0.23 0.00 0.00 176.35 178.36 1wh0 h ARG 86 N 6.97 -0.52 -6.64 1.70 3.08 -1.84 -3.43 114.38 113.69 1wh0 h ARG 86 Ca -0.38 0.04 -0.50 0.00 0.07 0.00 0.00 59.98 59.20 1wh0 h ARG 86 Cb 1.17 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.34 1wh0 h ARG 86 CO 0.76 -0.35 -0.05 1.21 -1.07 0.00 0.00 179.97 180.47 1wh0 s ASN 87 N -4.74 6.42 0.86 7.04 2.47 -1.26 -5.07 114.94 120.65 1wh0 s ASN 87 Ca -0.16 0.81 -0.11 0.00 0.42 0.00 0.00 52.86 53.82 1wh0 s ASN 87 Cb 0.07 -2.19 0.11 0.00 -1.45 0.00 0.00 41.25 37.79 1wh0 s ASN 87 CO 0.64 -0.31 1.10 -0.76 -3.72 0.00 0.00 177.10 174.05 1wh0 s LEU 88 N -3.89 2.56 0.33 3.21 1.43 -1.26 -4.85 118.68 116.22 1wh0 s LEU 88 Ca 0.46 1.71 -0.01 0.00 -1.03 0.00 0.00 54.13 55.26 1wh0 s LEU 88 Cb -0.10 -4.21 -0.01 0.00 0.03 0.00 0.00 46.19 41.90 1wh0 s LEU 88 CO 0.33 -2.55 0.42 0.27 0.23 0.00 0.00 176.35 175.05 1wh0 s ILE 89 N -2.86 0.00 -0.36 -0.59 -4.36 0.16 -3.90 121.20 109.29 1wh0 s ILE 89 Ca 0.63 -1.69 0.04 0.00 -0.26 0.00 0.00 60.65 59.37 1wh0 s ILE 89 Cb -0.19 -2.59 0.10 0.00 1.25 0.00 0.00 42.46 41.04 1wh0 s ILE 89 CO 0.57 0.00 0.07 -1.61 0.24 0.00 0.00 174.94 174.21 1wh0 s GLU 90 N -3.21 1.54 0.11 0.37 0.41 -0.86 -4.65 118.70 112.41 1wh0 s GLU 90 Ca 0.33 -1.96 0.18 0.00 -0.41 0.00 0.00 54.97 53.11 1wh0 s GLU 90 Cb 0.00 -3.23 0.77 0.00 -1.78 0.00 0.00 34.13 29.90 1wh0 s GLU 90 CO 0.21 -0.96 1.57 -0.35 -0.49 0.00 0.00 175.26 175.24 1wh0 n PRO 91 N 4.13 0.09 0.26 0.39 -0.04 -1.25 -2.44 135.00 136.14 1wh0 n PRO 91 Ca 0.04 0.33 0.15 0.00 -0.04 0.00 0.00 63.50 63.98 1wh0 n PRO 91 Cb 0.41 -1.67 0.57 0.00 -0.04 0.00 0.00 33.50 32.77 1wh0 n PRO 91 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wh0 h GLU 92 N 0.00 0.00 0.00 0.54 5.08 -1.91 -3.13 114.58 115.16 1wh0 h GLU 92 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1wh0 h GLU 92 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1wh0 h GLU 92 CO 0.00 0.05 -1.86 1.04 -1.00 0.00 0.00 179.01 177.25 1wh0 n GLN 93 N -3.16 1.00 -1.49 2.33 1.13 -1.02 -5.01 117.38 111.16 1wh0 n GLN 93 Ca 0.01 -0.08 -0.37 0.00 -1.94 0.00 0.00 57.00 54.62 1wh0 n GLN 93 Cb 0.36 -1.38 0.07 0.00 0.11 0.00 0.00 30.24 29.40 1wh0 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wh0 s THR 95 N -1.67 0.04 -0.11 0.00 -4.23 -0.74 -4.97 115.64 103.96 1wh0 s THR 95 Ca 0.74 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.95 1wh0 s THR 95 Cb -0.38 -0.29 0.02 0.00 1.34 0.00 0.00 72.50 73.18 1wh0 s THR 95 CO 0.49 -0.17 -0.13 0.72 -0.54 0.00 0.00 174.62 174.99 1wh0 s PHE 96 N -0.55 1.84 -0.15 3.99 -0.12 -1.26 -0.79 117.98 120.94 1wh0 s PHE 96 Ca -0.06 -0.89 -0.08 0.00 -0.05 0.00 0.00 56.93 55.84 1wh0 s PHE 96 Cb -0.04 -1.37 0.06 0.00 -0.63 0.00 0.00 43.02 41.04 1wh0 s PHE 96 CO 0.01 -0.50 0.37 0.00 -0.05 0.00 0.00 175.22 175.05 1wh0 s PHE 98 N 1.41 3.05 0.05 0.00 0.40 -1.26 -0.64 117.98 121.00 1wh0 s PHE 98 Ca -0.09 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 57.72 1wh0 s PHE 98 Cb -0.09 -2.95 -0.00 0.00 0.51 0.00 0.00 43.02 40.49 1wh0 s PHE 98 CO -0.12 -1.14 0.01 0.25 0.70 0.00 0.00 175.22 174.93 1wh0 n THR 99 N -2.46 0.00 0.00 0.64 -2.24 0.38 -4.79 114.28 105.82 1wh0 n THR 99 Ca 0.08 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1wh0 n THR 99 Cb 0.53 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 -2.78 0.00 -1.39 6.98 0.00 -1.26 -3.74 120.51 118.33 1wh0 n ALA 100 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1wh0 n ALA 100 Cb 0.08 0.31 0.13 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.54 1.81 -3.93 0.00 3.41 -1.26 -4.90 113.62 107.21 1wh0 n SER 101 Ca 0.00 -3.06 -0.09 0.00 -0.26 0.00 0.00 58.87 55.46 1wh0 n SER 101 Cb 0.00 -0.41 -0.06 0.00 -0.26 0.00 0.00 64.21 63.48 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 -2.40 1.32 -0.07 4.33 1.70 -1.20 -2.73 118.95 119.90 1wh0 s ARG 102 Ca 0.29 -1.14 0.01 0.00 -0.47 0.00 0.00 55.73 54.42 1wh0 s ARG 102 Cb 0.27 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 35.05 1wh0 s ARG 102 CO -0.01 -0.52 -0.08 0.42 -1.08 0.00 0.00 175.30 174.03 1wh0 s ILE 103 N -3.97 3.62 -0.18 4.99 1.01 -0.18 0.14 121.20 126.64 1wh0 s ILE 103 Ca 0.18 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.29 1wh0 s ILE 103 Cb 0.01 -2.48 -0.02 0.00 0.01 0.00 0.00 42.46 39.98 1wh0 s ILE 103 CO 0.02 0.59 -0.06 -0.62 0.00 0.00 0.00 174.94 174.87 1wh0 s ASP 104 N -0.68 4.39 -0.14 3.58 2.15 0.19 -1.48 116.67 124.68 1wh0 s ASP 104 Ca 0.10 -0.29 -0.01 0.00 0.43 0.00 0.00 52.55 52.78 1wh0 s ASP 104 Cb -0.11 -1.72 0.04 0.00 -0.30 0.00 0.00 42.92 40.83 1wh0 s ASP 104 CO 0.02 0.09 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.45 1wh0 s ILE 105 N 0.84 0.74 -0.22 4.11 1.01 -1.02 -1.09 121.20 125.57 1wh0 s ILE 105 Ca -0.02 -0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.09 1wh0 s ILE 105 Cb -0.15 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 1wh0 s ILE 105 CO 0.01 0.11 0.54 0.00 0.00 0.00 0.00 174.94 175.61 1wh0 s LEU 107 N 1.93 3.24 -0.12 0.00 1.43 0.81 -1.79 118.68 124.18 1wh0 s LEU 107 Ca 0.24 -0.82 -0.20 0.00 -1.03 0.00 0.00 54.13 52.32 1wh0 s LEU 107 Cb -0.16 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1wh0 s LEU 107 CO 0.09 -0.13 0.59 -0.60 0.23 0.00 0.00 176.35 176.53 1wh0 s ARG 108 N 1.36 4.33 0.72 1.70 6.06 -1.26 -1.65 118.95 130.21 1wh0 s ARG 108 Ca 0.01 0.62 -0.11 0.00 -2.50 0.00 0.00 55.73 53.75 1wh0 s ARG 108 Cb -0.16 -3.48 0.03 0.00 0.06 0.00 0.00 34.95 31.40 1wh0 s ARG 108 CO -0.04 0.02 1.11 0.15 -2.50 0.00 0.00 175.30 174.04 1wh0 s LYS 109 N 1.04 2.64 -0.17 5.12 1.02 0.26 -2.03 119.74 127.62 1wh0 s LYS 109 Ca 0.30 0.34 -0.18 0.00 0.02 0.00 0.00 55.97 56.46 1wh0 s LYS 109 Cb -0.16 -2.02 -0.15 0.00 -0.52 0.00 0.00 37.83 34.98 1wh0 s LYS 109 CO 0.13 -1.16 0.19 0.00 -0.92 0.00 0.00 175.35 173.59 1wh0 h ARG 110 N -0.73 0.00 -0.86 1.68 3.08 -1.89 -3.42 114.38 112.24 1wh0 h ARG 110 Ca -0.45 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.11 1wh0 h ARG 110 Cb 1.27 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 30.90 1wh0 h ARG 110 CO 0.64 0.67 -0.88 1.04 -1.07 0.00 0.00 179.97 180.36 1wh0 n GLN 111 N -4.54 3.06 -3.20 0.04 1.13 -1.26 -4.95 117.38 107.66 1wh0 n GLN 111 Ca -0.19 -4.05 -0.23 0.00 -1.94 0.00 0.00 57.00 50.59 1wh0 n GLN 111 Cb 0.48 -2.08 -0.04 0.00 0.11 0.00 0.00 30.24 28.71 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 -0.60 -1.14 -4.64 1.08 2.88 -1.26 -4.83 113.62 105.12 1wh0 n SER 112 Ca 0.34 -0.57 -0.39 0.00 -1.33 0.00 0.00 58.87 56.92 1wh0 n SER 112 Cb 0.87 -1.02 -0.08 0.00 -0.75 0.00 0.00 64.21 63.23 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 -4.91 4.10 0.18 -1.46 0.74 -1.26 -4.92 119.66 112.13 1wh0 s GLN 113 Ca 0.44 0.14 -0.30 0.00 0.05 0.00 0.00 55.36 55.70 1wh0 s GLN 113 Cb -0.26 -3.60 -0.08 0.00 1.10 0.00 0.00 33.01 30.18 1wh0 s GLN 113 CO 0.54 -0.17 1.12 -0.98 -0.55 0.00 0.00 175.29 175.26 1wh0 s ARG 114 N 1.72 4.57 -0.19 1.67 1.70 -1.26 -4.95 118.95 122.21 1wh0 s ARG 114 Ca 0.17 1.76 0.16 0.00 -0.47 0.00 0.00 55.73 57.35 1wh0 s ARG 114 Cb -0.15 -3.27 -0.24 0.00 -0.57 0.00 0.00 34.95 30.72 1wh0 s ARG 114 CO 0.09 0.04 0.12 0.91 -1.08 0.00 0.00 175.30 175.37 1wh0 n TRP 115 N 2.37 0.13 0.00 5.89 8.01 -1.26 -4.99 117.44 127.58 1wh0 n TRP 115 Ca 0.03 0.04 0.00 0.00 -1.31 0.00 0.00 57.50 56.26 1wh0 n TRP 115 Cb 0.46 -1.02 0.00 0.00 -2.01 0.00 0.00 31.31 28.73 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 1.77 1.24 3.06 6.99 0.00 -1.26 -4.97 105.19 112.02 1wh0 n GLY 116 Ca -0.32 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 1wh0 n GLY 116 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wh0 s GLY 117 N -2.02 -0.92 0.09 -0.02 0.00 -1.26 -5.05 107.32 98.14 1wh0 s GLY 117 Ca 0.00 1.08 -0.17 0.00 0.00 0.00 0.00 44.72 45.63 1wh0 s GLY 117 CO 0.00 3.32 1.08 -0.10 0.00 0.00 0.00 173.10 177.39 1wh0 n LEU 118 N 5.40 -0.60 -4.87 0.66 7.94 -1.26 -4.34 117.00 119.94 1wh0 n LEU 118 Ca 0.01 1.21 -0.32 0.00 -1.11 0.00 0.00 56.01 55.81 1wh0 n LEU 118 Cb 0.52 -0.23 -0.05 0.00 0.53 0.00 0.00 43.42 44.18 1wh0 n LEU 118 CO -0.01 -0.92 0.29 -1.61 -1.11 0.00 0.00 177.39 174.03 1wh0 s GLU 119 N -4.74 3.83 0.42 1.96 2.02 -1.26 -4.38 118.70 116.55 1wh0 s GLU 119 Ca -0.07 0.37 -0.15 0.00 0.02 0.00 0.00 54.97 55.15 1wh0 s GLU 119 Cb 0.06 -2.56 -0.08 0.00 0.10 0.00 0.00 34.13 31.65 1wh0 s GLU 119 CO 0.35 0.22 0.85 0.00 0.02 0.00 0.00 175.26 176.70 1wh0 s ALA 120 N -1.95 3.22 1.19 5.21 0.00 0.91 -4.86 121.76 125.48 1wh0 s ALA 120 Ca 0.49 0.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.34 1wh0 s ALA 120 Cb -0.11 -2.90 0.24 0.00 0.00 0.00 0.00 23.12 20.35 1wh0 s ALA 120 CO 0.22 0.02 0.84 -0.35 0.00 0.00 0.00 175.76 176.50 1wh0 n PRO 121 N -1.08 -2.67 -3.66 0.00 -0.04 -1.26 -4.96 135.00 121.33 1wh0 n PRO 121 Ca 0.04 -1.35 0.01 0.00 -0.04 0.00 0.00 63.50 62.17 1wh0 n PRO 121 Cb 0.54 -1.27 -0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 -3.01 -2.21 1.15 0.55 0.00 -1.26 -5.15 121.76 111.82 1wh0 s ALA 122 Ca 0.55 0.59 -0.13 0.00 0.00 0.00 0.00 51.96 52.97 1wh0 s ALA 122 Cb -0.05 0.42 0.19 0.00 0.00 0.00 0.00 23.12 23.68 1wh0 s ALA 122 CO 0.42 -1.06 0.73 0.00 0.00 0.00 0.00 175.76 175.85 1wh0 n ALA 123 N -0.53 -2.11 -2.34 0.00 0.00 -1.26 -4.94 120.51 109.33 1wh0 n ALA 123 Ca -0.07 -1.07 -0.43 0.00 0.00 0.00 0.00 53.44 51.87 1wh0 n ALA 123 Cb 0.62 -0.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 1wh0 n ALA 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1wh0 s ARG 124 N -4.65 4.26 0.40 0.00 3.52 -1.26 -5.01 118.95 116.21 1wh0 s ARG 124 Ca 0.47 1.79 0.04 0.00 -0.13 0.00 0.00 55.73 57.90 1wh0 s ARG 124 Cb -0.04 -3.72 -0.05 0.00 -1.56 0.00 0.00 34.95 29.58 1wh0 s ARG 124 CO 0.35 -0.65 0.06 0.14 -0.81 0.00 0.00 175.30 174.39 1wh0 s VAL 125 N 3.10 1.19 0.00 7.11 -7.23 -1.26 -5.14 120.40 118.17 1wh0 s VAL 125 Ca 0.59 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1wh0 s VAL 125 Cb -0.26 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.09 1wh0 s VAL 125 CO 0.20 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.60 1wh0 n GLY 126 N -0.91 3.24 0.00 2.32 0.00 -1.26 -5.18 105.19 103.40 1wh0 n GLY 126 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 2.06 3.91 -0.02 0.00 -1.26 -5.17 105.19 104.71 1wh0 n GLY 127 Ca 0.00 0.32 -0.31 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 3.81 -0.28 4.61 0.00 -1.26 -5.10 121.76 123.54 1wh0 s ALA 128 Ca 0.00 -0.63 -0.24 0.00 0.00 0.00 0.00 51.96 51.09 1wh0 s ALA 128 Cb 0.00 -2.09 0.09 0.00 0.00 0.00 0.00 23.12 21.13 1wh0 s ALA 128 CO 0.00 0.62 0.84 0.45 0.00 0.00 0.00 175.76 177.68 1wh0 s SER 129 N -2.61 -0.65 0.00 0.00 0.15 -1.26 -5.15 113.70 104.19 1wh0 s SER 129 Ca 0.40 1.21 0.00 0.00 0.70 0.00 0.00 55.95 58.26 1wh0 s SER 129 Cb -0.12 1.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 1wh0 s SER 129 CO 0.26 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.10 1wh0 n GLY 130 N 2.71 3.24 3.66 9.45 0.00 -1.26 -5.16 105.19 117.83 1wh0 n GLY 130 Ca -0.14 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 1wh0 n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh0 s PRO 131 N -1.75 0.15 0.26 1.61 0.04 -1.26 -5.05 135.00 129.00 1wh0 s PRO 131 Ca 0.00 0.42 -0.06 0.00 0.04 0.00 0.00 61.00 61.39 1wh0 s PRO 131 Cb 0.00 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.77 1wh0 s PRO 131 CO 0.00 -2.90 0.54 -1.12 0.04 0.00 0.00 177.00 173.56 1wh0 s SER 132 N -3.51 6.50 0.94 6.66 0.01 -1.26 -5.05 113.70 118.00 1wh0 s SER 132 Ca 0.66 0.77 -0.16 0.00 1.31 0.00 0.00 55.95 58.53 1wh0 s SER 132 Cb -0.18 -2.16 -0.08 0.00 0.21 0.00 0.00 66.02 63.81 1wh0 s SER 132 CO 0.57 -0.14 -0.29 -1.20 0.41 0.00 0.00 173.24 172.59 1wh0 n SER 133 N -0.60 -4.34 0.00 2.44 7.64 -1.26 -5.28 113.62 112.22 1wh0 n SER 133 Ca -0.01 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1wh0 n SER 133 Cb 0.53 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1wh0 n SER 133 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64