#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 -0.26 -3.79 1.61 2.88 -1.26 -4.95 113.62 107.85 1wh0 n SER 2 Ca 0.00 1.15 -0.09 0.00 -1.33 0.00 0.00 58.87 58.60 1wh0 n SER 2 Cb 0.00 -0.92 -0.04 0.00 -0.75 0.00 0.00 64.21 62.50 1wh0 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wh0 s SER 3 N -0.20 -0.01 -1.37 -3.46 0.15 -1.26 -4.95 113.70 102.60 1wh0 s SER 3 Ca 0.85 -0.95 -0.08 0.00 0.70 0.00 0.00 55.95 56.47 1wh0 s SER 3 Cb -1.20 0.65 0.02 0.00 -1.71 0.00 0.00 66.02 63.78 1wh0 s SER 3 CO 0.57 -1.25 1.10 0.61 1.20 0.00 0.00 173.24 175.47 1wh0 n GLY 4 N -0.43 -0.50 2.45 9.45 0.00 -1.26 -4.92 105.19 109.98 1wh0 n GLY 4 Ca -0.02 0.22 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 1wh0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh0 n SER 5 N -3.00 3.38 0.00 1.61 7.64 -1.26 -4.96 113.62 117.03 1wh0 n SER 5 Ca -0.04 -3.10 0.00 0.00 1.01 0.00 0.00 58.87 56.74 1wh0 n SER 5 Cb 0.57 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1wh0 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wh0 n SER 6 N -0.52 0.00 0.00 6.43 2.88 -1.26 -4.94 113.62 116.21 1wh0 n SER 6 Ca 0.27 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1wh0 n SER 6 Cb 0.83 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1wh0 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh0 n GLY 7 N -0.99 -1.07 3.41 0.46 0.00 -1.26 -5.14 105.19 100.59 1wh0 n GLY 7 Ca 0.00 0.38 -0.29 0.00 0.00 0.00 0.00 46.02 46.12 1wh0 n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wh0 n VAL 8 N 0.00 0.00 -1.52 1.61 3.14 -1.26 -4.76 118.33 115.54 1wh0 n VAL 8 Ca 0.00 -0.42 -0.42 0.00 -2.96 0.00 0.00 64.34 60.54 1wh0 n VAL 8 Cb 0.00 -0.98 -0.06 0.00 -1.06 0.00 0.00 33.84 31.74 1wh0 n VAL 8 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1wh0 n ASP 9 N -5.08 2.19 -3.98 6.55 2.03 -1.26 -4.87 116.55 112.14 1wh0 n ASP 9 Ca 0.04 -0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.98 1wh0 n ASP 9 Cb 0.55 -1.40 0.02 0.00 -0.72 0.00 0.00 41.12 39.58 1wh0 n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wh0 n GLU 10 N 8.66 0.00 0.00 -0.67 4.71 -1.26 -4.74 120.64 127.34 1wh0 n GLU 10 Ca 0.41 0.00 0.06 0.00 -0.01 0.00 0.00 57.16 57.62 1wh0 n GLU 10 Cb 0.37 -0.96 0.35 0.00 -1.01 0.00 0.00 31.44 30.19 1wh0 n GLU 10 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1wh0 n PRO 11 N 1.92 0.49 -0.30 3.49 -0.04 -1.26 -4.05 135.00 135.24 1wh0 n PRO 11 Ca 0.03 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.50 1wh0 n PRO 11 Cb 0.50 -1.38 0.05 0.00 -0.04 0.00 0.00 33.50 32.63 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 -0.88 -0.15 -0.33 0.54 0.28 -1.26 0.24 120.64 119.07 1wh0 n GLU 12 Ca 0.09 1.22 0.06 0.00 -0.16 0.00 0.00 57.16 58.37 1wh0 n GLU 12 Cb 0.04 -1.82 0.25 0.00 1.43 0.00 0.00 31.44 31.34 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 0.91 -4.16 -1.84 0.02 -1.94 -3.42 113.55 103.12 1wh0 h SER 13 Ca 0.31 0.03 -0.48 0.00 -0.84 0.00 0.00 61.79 60.80 1wh0 h SER 13 Cb 0.50 -0.16 0.05 0.00 0.14 0.00 0.00 62.40 62.93 1wh0 h SER 13 CO -0.79 0.53 0.38 -0.04 -1.14 0.00 0.00 176.83 175.77 1wh0 s MET 14 N -5.92 3.55 -0.28 3.45 -1.94 0.65 -5.00 119.30 113.81 1wh0 s MET 14 Ca -0.12 1.21 -0.20 0.00 -1.71 0.00 0.00 55.69 54.87 1wh0 s MET 14 Cb 0.21 -2.07 -0.01 0.00 2.01 0.00 0.00 34.83 34.97 1wh0 s MET 14 CO 0.80 -0.62 0.62 0.08 -0.01 0.00 0.00 175.02 175.89 1wh0 s VAL 15 N -2.35 4.97 -0.10 -6.03 1.01 -0.85 -4.93 120.40 112.13 1wh0 s VAL 15 Ca 0.64 0.96 -0.23 0.00 0.00 0.00 0.00 61.98 63.35 1wh0 s VAL 15 Cb -0.15 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1wh0 s VAL 15 CO 0.31 -0.05 0.69 0.20 0.00 0.00 0.00 175.10 176.25 1wh0 s ASN 16 N 1.57 6.91 0.16 3.32 -0.87 -1.26 -0.14 114.94 124.63 1wh0 s ASN 16 Ca 0.25 1.10 -0.29 0.00 -1.57 0.00 0.00 52.86 52.35 1wh0 s ASN 16 Cb -0.15 -2.40 -0.07 0.00 -0.02 0.00 0.00 41.25 38.61 1wh0 s ASN 16 CO 0.10 -0.17 0.92 -0.76 -2.57 0.00 0.00 177.10 174.62 1wh0 s LEU 17 N 1.13 4.56 -0.12 0.60 1.43 0.12 -4.85 118.68 121.55 1wh0 s LEU 17 Ca 0.35 1.81 0.02 0.00 -1.03 0.00 0.00 54.13 55.28 1wh0 s LEU 17 Cb -0.17 -3.53 -0.24 0.00 0.03 0.00 0.00 46.19 42.27 1wh0 s LEU 17 CO 0.16 0.05 0.35 0.00 0.23 0.00 0.00 176.35 177.14 1wh0 n ALA 18 N 2.19 1.19 -3.67 4.21 0.00 -1.26 -4.55 120.51 118.62 1wh0 n ALA 18 Ca -0.01 -0.77 -0.14 0.00 0.00 0.00 0.00 53.44 52.52 1wh0 n ALA 18 Cb 0.48 -0.61 -0.14 0.00 0.00 0.00 0.00 19.45 19.19 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 -2.56 -0.39 -0.18 0.00 5.36 -1.26 -5.08 117.98 113.87 1wh0 s PHE 19 Ca -0.18 0.92 -0.01 0.00 -0.96 0.00 0.00 56.93 56.70 1wh0 s PHE 19 Cb 0.07 -0.06 0.00 0.00 -0.34 0.00 0.00 43.02 42.69 1wh0 s PHE 19 CO 0.77 -0.34 -0.14 0.08 -1.46 0.00 0.00 175.22 174.13 1wh0 s VAL 20 N 2.36 2.71 -0.36 3.12 1.01 -1.26 -5.06 120.40 122.92 1wh0 s VAL 20 Ca 0.01 -0.74 -0.27 0.00 0.00 0.00 0.00 61.98 60.98 1wh0 s VAL 20 Cb -0.12 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 34.04 1wh0 s VAL 20 CO -0.08 0.50 2.30 -0.75 0.00 0.00 0.00 175.10 177.06 1wh0 s LYS 21 N 1.07 2.62 0.31 2.72 2.36 -1.26 -4.89 119.74 122.67 1wh0 s LYS 21 Ca -0.00 1.69 -0.11 0.00 -2.55 0.00 0.00 55.97 55.00 1wh0 s LYS 21 Cb -0.15 -4.47 0.01 0.00 -1.05 0.00 0.00 37.83 32.17 1wh0 s LYS 21 CO -0.04 -2.68 0.56 0.54 1.55 0.00 0.00 175.35 175.28 1wh0 s ASN 22 N 10.14 0.23 -0.15 1.43 6.03 -1.26 -0.40 114.94 130.96 1wh0 s ASN 22 Ca 0.98 -1.13 -0.06 0.00 -1.03 0.00 0.00 52.86 51.62 1wh0 s ASN 22 Cb -0.25 0.67 0.07 0.00 -3.03 0.00 0.00 41.25 38.71 1wh0 s ASN 22 CO 0.30 -1.32 0.32 -0.62 -2.03 0.00 0.00 177.10 173.76 1wh0 s ASP 23 N -3.09 -0.08 -0.10 3.54 2.15 0.83 -4.93 116.67 114.99 1wh0 s ASP 23 Ca 0.23 0.73 0.03 0.00 0.43 0.00 0.00 52.55 53.96 1wh0 s ASP 23 Cb -0.02 0.80 -0.01 0.00 -0.30 0.00 0.00 42.92 43.40 1wh0 s ASP 23 CO 0.13 -0.21 -0.20 -0.55 -0.17 0.00 0.00 175.17 174.16 1wh0 s SER 24 N 2.02 3.41 0.17 -0.34 0.15 -1.26 0.34 113.70 118.19 1wh0 s SER 24 Ca -0.04 -0.47 0.07 0.00 0.70 0.00 0.00 55.95 56.21 1wh0 s SER 24 Cb -0.11 -1.42 -0.04 0.00 -1.71 0.00 0.00 66.02 62.75 1wh0 s SER 24 CO -0.10 0.17 0.01 -0.72 1.20 0.00 0.00 173.24 173.80 1wh0 s TYR 25 N 0.27 2.88 -0.64 3.44 1.13 -0.85 -4.95 117.35 118.62 1wh0 s TYR 25 Ca -0.14 -0.12 -0.28 0.00 -1.41 0.00 0.00 57.07 55.12 1wh0 s TYR 25 Cb -0.17 -1.40 0.02 0.00 -1.10 0.00 0.00 41.96 39.32 1wh0 s TYR 25 CO 0.07 0.51 1.30 -1.21 -2.51 0.00 0.00 175.55 173.72 1wh0 s GLU 26 N -2.90 3.30 0.16 -3.49 8.01 -1.26 -2.76 118.70 119.76 1wh0 s GLU 26 Ca 0.28 0.11 0.03 0.00 0.01 0.00 0.00 54.97 55.40 1wh0 s GLU 26 Cb -0.10 -4.12 -0.03 0.00 -4.31 0.00 0.00 34.13 25.57 1wh0 s GLU 26 CO 0.19 -1.97 0.28 0.21 0.01 0.00 0.00 175.26 173.98 1wh0 s LYS 27 N 5.48 3.40 0.00 1.61 2.20 0.48 -5.01 119.74 127.89 1wh0 s LYS 27 Ca 0.43 -0.64 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 1wh0 s LYS 27 Cb -0.09 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 1wh0 s LYS 27 CO 0.21 0.51 0.00 0.41 -0.36 0.00 0.00 175.35 176.12 1wh0 n GLY 28 N -0.64 0.49 0.08 5.54 0.00 -1.26 -1.11 105.19 108.28 1wh0 n GLY 28 Ca -0.07 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.06 0.00 1.61 0.13 -2.03 -3.38 132.00 128.28 1wh0 h PRO 29 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wh0 h PRO 29 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1wh0 h PRO 29 CO 0.00 0.40 -0.10 -0.25 -0.23 0.00 0.00 178.00 177.83 1wh0 n ASP 30 N -4.89 1.17 -4.62 1.44 8.00 -1.25 -4.81 116.55 111.59 1wh0 n ASP 30 Ca -0.08 -1.99 -0.43 0.00 0.71 0.00 0.00 54.79 53.00 1wh0 n ASP 30 Cb 0.25 -0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 1wh0 n ASP 30 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1wh0 s SER 31 N -1.18 6.77 -0.31 -2.24 0.01 -0.27 -2.62 113.70 113.87 1wh0 s SER 31 Ca 0.07 0.77 0.01 0.00 1.31 0.00 0.00 55.95 58.11 1wh0 s SER 31 Cb 0.07 -2.49 0.08 0.00 0.21 0.00 0.00 66.02 63.88 1wh0 s SER 31 CO 0.01 -0.85 0.01 -0.69 0.41 0.00 0.00 173.24 172.12 1wh0 s VAL 32 N 3.53 2.57 0.25 3.43 1.01 -0.70 0.18 120.40 130.67 1wh0 s VAL 32 Ca 0.41 -1.82 -0.10 0.00 0.00 0.00 0.00 61.98 60.47 1wh0 s VAL 32 Cb -0.12 -2.64 -0.07 0.00 0.00 0.00 0.00 36.38 33.55 1wh0 s VAL 32 CO 0.17 -0.30 0.57 -0.69 0.00 0.00 0.00 175.10 174.86 1wh0 s VAL 33 N 1.09 4.91 -0.03 2.92 1.01 -1.11 -0.45 120.40 128.75 1wh0 s VAL 33 Ca -0.00 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.49 1wh0 s VAL 33 Cb -0.20 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1wh0 s VAL 33 CO -0.05 -0.12 -0.12 -0.69 0.00 0.00 0.00 175.10 174.13 1wh0 s VAL 34 N -1.88 0.99 -0.34 2.92 1.01 -0.60 -2.01 120.40 120.49 1wh0 s VAL 34 Ca 0.48 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1wh0 s VAL 34 Cb -0.11 -0.86 0.09 0.00 0.00 0.00 0.00 36.38 35.50 1wh0 s VAL 34 CO 0.22 0.30 0.06 -1.00 0.00 0.00 0.00 175.10 174.68 1wh0 s HIS 35 N 0.11 3.58 -0.27 5.22 3.76 0.15 -2.46 115.29 125.38 1wh0 s HIS 35 Ca -0.03 -2.59 -0.20 0.00 -0.15 0.00 0.00 55.06 52.09 1wh0 s HIS 35 Cb -0.09 -2.75 -0.02 0.00 1.11 0.00 0.00 32.58 30.83 1wh0 s HIS 35 CO 0.01 -0.93 0.60 0.08 -0.85 0.00 0.00 174.74 173.65 1wh0 s VAL 36 N 1.04 5.00 -0.58 -0.90 1.01 -0.82 -0.12 120.40 125.04 1wh0 s VAL 36 Ca 0.05 1.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.76 1wh0 s VAL 36 Cb -0.20 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1wh0 s VAL 36 CO -0.06 0.01 1.54 -0.31 0.00 0.00 0.00 175.10 176.29 1wh0 s TYR 37 N 2.47 2.09 -0.23 5.22 1.51 0.46 -1.74 117.35 127.13 1wh0 s TYR 37 Ca 0.25 0.50 -0.28 0.00 -1.01 0.00 0.00 57.07 56.52 1wh0 s TYR 37 Cb -0.15 -4.33 0.16 0.00 -0.11 0.00 0.00 41.96 37.53 1wh0 s TYR 37 CO 0.09 -2.15 1.17 0.54 -1.11 0.00 0.00 175.55 174.09 1wh0 s VAL 38 N 6.85 0.00 0.15 0.71 0.11 -0.96 -4.80 120.40 122.46 1wh0 s VAL 38 Ca 0.56 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.62 1wh0 s VAL 38 Cb -0.12 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1wh0 s VAL 38 CO 0.23 0.00 0.05 0.29 -3.33 0.00 0.00 175.10 172.34 1wh0 n LYS 39 N 0.97 0.88 -4.13 1.54 5.02 -1.26 -3.07 118.16 118.12 1wh0 n LYS 39 Ca -0.07 -1.24 -0.30 0.00 -2.02 0.00 0.00 58.31 54.67 1wh0 n LYS 39 Cb 0.58 0.64 -0.05 0.00 -0.02 0.00 0.00 35.03 36.17 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 -0.34 -1.76 -3.94 1.97 -0.58 -1.26 -4.11 120.64 110.62 1wh0 n GLU 40 Ca -0.03 0.22 -0.29 0.00 -0.42 0.00 0.00 57.16 56.64 1wh0 n GLU 40 Cb 0.22 -3.86 -0.04 0.00 -0.57 0.00 0.00 31.44 27.19 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 -4.11 5.30 -0.49 -3.67 1.01 -1.26 -1.14 121.20 116.84 1wh0 s ILE 41 Ca 0.07 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 1wh0 s ILE 41 Cb -0.03 -3.63 0.08 0.00 0.01 0.00 0.00 42.46 38.89 1wh0 s ILE 41 CO 0.95 0.06 0.45 0.00 0.00 0.00 0.00 174.94 176.40 1wh0 n ARG 43 N 5.35 0.56 -0.07 0.00 1.74 -1.26 -1.19 116.66 121.79 1wh0 n ARG 43 Ca -0.12 0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.86 1wh0 n ARG 43 Cb 0.43 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.23 1wh0 n ARG 43 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1wh0 n ASP 44 N -1.04 0.78 -0.46 0.55 8.00 -1.26 -4.35 116.55 118.76 1wh0 n ASP 44 Ca 0.14 0.14 0.07 0.00 0.71 0.00 0.00 54.79 55.85 1wh0 n ASP 44 Cb 0.08 0.26 0.16 0.00 -0.02 0.00 0.00 41.12 41.60 1wh0 n ASP 44 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1wh0 n THR 45 N -2.99 1.70 -4.15 -3.53 -2.24 -1.03 -4.96 114.28 97.09 1wh0 n THR 45 Ca -0.29 -1.66 -0.32 0.00 -2.27 0.00 0.00 64.05 59.51 1wh0 n THR 45 Cb 1.09 0.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.85 2.99 0.37 3.42 0.01 -0.33 -4.38 113.70 113.92 1wh0 s SER 46 Ca 0.28 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 56.98 1wh0 s SER 46 Cb 0.22 -1.39 -0.04 0.00 0.21 0.00 0.00 66.02 65.03 1wh0 s SER 46 CO 0.07 -0.01 0.11 0.00 0.41 0.00 0.00 173.24 173.82 1wh0 s ARG 47 N 1.30 1.79 -0.04 12.44 1.70 0.42 -4.79 118.95 131.76 1wh0 s ARG 47 Ca 0.04 -2.05 -0.02 0.00 -0.47 0.00 0.00 55.73 53.23 1wh0 s ARG 47 Cb -0.13 -0.60 0.03 0.00 -0.57 0.00 0.00 34.95 33.68 1wh0 s ARG 47 CO -0.11 -0.39 0.06 0.08 -1.08 0.00 0.00 175.30 173.86 1wh0 s VAL 48 N -3.31 -0.11 -0.28 4.99 1.01 -1.26 -0.22 120.40 121.22 1wh0 s VAL 48 Ca 0.29 0.40 -0.15 0.00 0.00 0.00 0.00 61.98 62.53 1wh0 s VAL 48 Cb 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 1wh0 s VAL 48 CO 0.15 0.17 0.36 -0.76 0.00 0.00 0.00 175.10 175.02 1wh0 s LEU 49 N 2.05 4.10 -0.44 3.92 2.01 0.13 -4.97 118.68 125.48 1wh0 s LEU 49 Ca 0.03 0.18 -0.16 0.00 0.01 0.00 0.00 54.13 54.19 1wh0 s LEU 49 Cb -0.12 -2.39 0.04 0.00 0.01 0.00 0.00 46.19 43.72 1wh0 s LEU 49 CO -0.03 -0.20 0.41 -0.36 1.01 0.00 0.00 176.35 177.18 1wh0 s PHE 50 N 2.05 3.19 0.56 0.29 0.08 -1.26 -0.17 117.98 122.72 1wh0 s PHE 50 Ca 0.14 -0.59 -0.02 0.00 0.12 0.00 0.00 56.93 56.58 1wh0 s PHE 50 Cb -0.16 -2.95 0.11 0.00 -0.57 0.00 0.00 43.02 39.45 1wh0 s PHE 50 CO 0.10 -0.73 0.76 0.54 -0.10 0.00 0.00 175.22 175.79 1wh0 n ARG 51 N 5.45 -0.07 0.10 0.44 5.12 0.35 -4.60 116.66 123.46 1wh0 n ARG 51 Ca -0.09 -1.90 -0.24 0.00 -1.93 0.00 0.00 57.85 53.68 1wh0 n ARG 51 Cb 0.46 -0.56 -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 0.45 0.00 5.56 4.11 -1.98 -3.34 114.58 119.38 1wh0 h GLU 52 Ca -0.25 -0.77 -0.00 0.00 0.07 0.00 0.00 59.36 58.41 1wh0 h GLU 52 Cb 0.88 0.29 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1wh0 h GLU 52 CO 0.25 1.37 -0.10 0.94 0.07 0.00 0.00 179.01 181.55 1wh0 n GLN 53 N -3.67 1.34 -3.86 1.06 7.27 -1.26 0.42 117.38 118.68 1wh0 n GLN 53 Ca -0.21 -2.72 -0.01 0.00 0.07 0.00 0.00 57.00 54.13 1wh0 n GLN 53 Cb 1.08 -1.52 0.02 0.00 2.41 0.00 0.00 30.24 32.22 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 -1.38 -1.51 -3.40 1.69 5.75 -1.26 -2.18 116.55 114.26 1wh0 n ASP 54 Ca 0.17 -1.66 0.02 0.00 -0.01 0.00 0.00 54.79 53.30 1wh0 n ASP 54 Cb 0.65 2.42 -0.03 0.00 -1.03 0.00 0.00 41.12 43.14 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 -2.15 -1.36 0.02 2.11 -0.12 -1.10 -0.49 117.98 114.89 1wh0 s PHE 55 Ca 0.25 1.90 -0.08 0.00 -0.05 0.00 0.00 56.93 58.94 1wh0 s PHE 55 Cb -0.02 0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 42.96 1wh0 s PHE 55 CO 0.03 -0.71 0.32 0.99 -0.05 0.00 0.00 175.22 175.80 1wh0 s THR 56 N 2.85 5.22 -0.25 -4.49 2.01 0.76 -2.62 115.64 119.12 1wh0 s THR 56 Ca 0.06 0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.39 1wh0 s THR 56 Cb -0.13 -3.60 0.07 0.00 0.01 0.00 0.00 72.50 68.86 1wh0 s THR 56 CO -0.19 0.38 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.88 1wh0 s LEU 57 N -1.69 2.62 -0.32 4.42 2.96 0.10 0.18 118.68 126.96 1wh0 s LEU 57 Ca 0.28 -1.30 -0.10 0.00 -0.22 0.00 0.00 54.13 52.79 1wh0 s LEU 57 Cb -0.14 -1.13 -0.00 0.00 0.50 0.00 0.00 46.19 45.42 1wh0 s LEU 57 CO 0.16 -0.28 0.17 -0.63 -1.32 0.00 0.00 176.35 174.44 1wh0 s ILE 58 N 1.42 4.65 -0.10 6.68 1.09 0.70 -1.61 121.20 134.02 1wh0 s ILE 58 Ca -0.02 -0.47 -0.13 0.00 -1.10 0.00 0.00 60.65 58.94 1wh0 s ILE 58 Cb -0.19 -3.40 0.03 0.00 -1.06 0.00 0.00 42.46 37.85 1wh0 s ILE 58 CO -0.09 0.02 0.34 0.72 -0.10 0.00 0.00 174.94 175.83 1wh0 s PHE 59 N 1.61 -0.34 -0.39 3.97 -0.12 -1.08 0.16 117.98 121.79 1wh0 s PHE 59 Ca 0.04 0.79 -0.10 0.00 -0.05 0.00 0.00 56.93 57.62 1wh0 s PHE 59 Cb -0.17 0.13 0.05 0.00 -0.63 0.00 0.00 43.02 42.39 1wh0 s PHE 59 CO 0.07 -0.23 0.22 -0.65 -0.05 0.00 0.00 175.22 174.57 1wh0 s GLN 60 N -0.16 2.70 -0.04 1.99 -0.21 -1.26 -3.41 119.66 119.26 1wh0 s GLN 60 Ca -0.03 -1.27 -0.04 0.00 0.02 0.00 0.00 55.36 54.04 1wh0 s GLN 60 Cb -0.03 -3.72 -0.04 0.00 1.00 0.00 0.00 33.01 30.22 1wh0 s GLN 60 CO 0.01 -0.82 0.16 -0.08 -2.12 0.00 0.00 175.29 172.44 1wh0 s THR 61 N 1.48 5.35 -0.18 -0.19 -1.32 -1.26 -2.59 115.64 116.92 1wh0 s THR 61 Ca 0.02 -0.10 0.13 0.00 -1.21 0.00 0.00 61.69 60.53 1wh0 s THR 61 Cb -0.21 -3.44 0.42 0.00 -1.51 0.00 0.00 72.50 67.75 1wh0 s THR 61 CO 0.04 0.41 1.21 -2.11 -2.21 0.00 0.00 174.62 171.96 1wh0 n ARG 62 N 1.26 1.39 -3.11 7.08 1.85 -0.29 -4.24 116.66 120.62 1wh0 n ARG 62 Ca -0.14 -3.14 -0.43 0.00 -1.00 0.00 0.00 57.85 53.15 1wh0 n ARG 62 Cb 0.53 -1.43 -0.06 0.00 -1.05 0.00 0.00 32.46 30.45 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 -3.08 6.29 0.56 2.89 -1.08 -1.26 -4.92 116.67 116.08 1wh0 s ASP 63 Ca 0.37 -0.51 0.47 0.00 -0.52 0.00 0.00 52.55 52.36 1wh0 s ASP 63 Cb 0.37 -2.32 1.66 0.00 -1.46 0.00 0.00 42.92 41.18 1wh0 s ASP 63 CO -0.08 -0.84 1.59 1.23 0.52 0.00 0.00 175.17 177.60 1wh0 h GLY 64 N 9.77 0.00 1.06 2.66 0.00 -1.95 1.21 103.07 115.82 1wh0 h GLY 64 Ca -0.26 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1wh0 h GLY 64 CO 0.92 0.00 0.01 3.43 0.00 0.00 0.00 176.54 180.90 1wh0 h ASN 65 N 0.00 0.99 0.29 0.19 2.35 -1.99 -0.06 115.58 117.35 1wh0 h ASN 65 Ca 0.85 -0.30 -0.33 0.00 -0.55 0.00 0.00 56.30 55.96 1wh0 h ASN 65 Cb 3.49 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 41.58 1wh0 h ASN 65 CO -0.01 1.05 -1.74 0.15 -1.65 0.00 0.00 177.43 175.24 1wh0 h PHE 66 N 0.90 0.50 0.38 1.19 3.04 0.93 -3.36 116.94 120.51 1wh0 h PHE 66 Ca 0.16 -0.37 -0.02 0.00 3.98 0.00 0.00 57.97 61.73 1wh0 h PHE 66 Cb 0.54 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.03 1wh0 h PHE 66 CO 0.04 1.54 -0.18 -0.07 -2.02 0.00 0.00 178.31 177.62 1wh0 h LEU 67 N 0.08 -0.43 -1.14 0.59 3.38 -0.63 -2.91 115.31 114.24 1wh0 h LEU 67 Ca -0.32 -0.09 0.41 0.00 0.09 0.00 0.00 57.88 57.96 1wh0 h LEU 67 Cb 2.05 0.11 -0.16 0.00 0.09 0.00 0.00 40.66 42.75 1wh0 h LEU 67 CO 0.14 -0.15 0.66 0.08 0.09 0.00 0.00 178.44 179.26 1wh0 h ARG 68 N -0.71 0.10 -0.85 1.13 0.11 -1.18 1.07 114.38 114.05 1wh0 h ARG 68 Ca -0.05 -0.01 0.02 0.00 0.10 0.00 0.00 59.98 60.04 1wh0 h ARG 68 Cb 0.50 -0.02 -0.05 0.00 1.11 0.00 0.00 29.97 31.51 1wh0 h ARG 68 CO 0.09 0.06 0.56 -0.07 0.10 0.00 0.00 179.97 180.71 1wh0 h LEU 69 N 0.10 0.95 -7.78 0.08 3.38 -1.66 -3.33 115.31 107.05 1wh0 h LEU 69 Ca 0.82 -0.02 -0.75 0.00 0.09 0.00 0.00 57.88 58.02 1wh0 h LEU 69 Cb 2.25 -0.23 -0.29 0.00 0.09 0.00 0.00 40.66 42.48 1wh0 h LEU 69 CO -0.61 0.68 -0.13 -1.00 0.09 0.00 0.00 178.44 177.46 1wh0 s HIS 70 N -6.12 3.57 0.57 1.13 3.76 0.37 -5.07 115.29 113.50 1wh0 s HIS 70 Ca -0.13 -2.15 -0.18 0.00 -0.15 0.00 0.00 55.06 52.44 1wh0 s HIS 70 Cb 0.17 -3.58 -0.05 0.00 1.11 0.00 0.00 32.58 30.23 1wh0 s HIS 70 CO 0.79 -0.95 1.12 -1.25 -0.85 0.00 0.00 174.74 173.61 1wh0 s PRO 71 N 0.35 3.23 0.00 8.40 0.04 -1.25 -3.41 135.00 142.36 1wh0 s PRO 71 Ca 0.15 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1wh0 s PRO 71 Cb -0.17 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.38 1wh0 s PRO 71 CO -0.05 -0.94 0.00 0.41 0.04 0.00 0.00 177.00 176.46 1wh0 n GLY 72 N 0.00 2.38 1.92 0.56 0.00 -1.26 -5.02 105.19 103.77 1wh0 n GLY 72 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 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 1.65 2.81 0.21 0.00 0.00 -1.26 -5.00 105.19 103.60 1wh0 n GLY 74 Ca -0.01 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.62 1.61 0.13 -1.92 -2.58 132.00 128.62 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 0.30 0.00 -2.39 -0.23 0.00 0.00 178.00 175.68 1wh0 n HIS 76 N -3.63 0.85 -3.26 1.56 1.44 -1.26 -4.50 115.22 106.42 1wh0 n HIS 76 Ca -0.01 -0.42 -0.42 0.00 -2.01 0.00 0.00 57.72 54.87 1wh0 n HIS 76 Cb 0.42 -0.01 -0.08 0.00 0.12 0.00 0.00 29.99 30.45 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 -1.19 5.02 0.30 0.61 2.01 -0.97 -5.05 115.64 116.37 1wh0 s THR 77 Ca 0.42 0.21 -0.29 0.00 0.31 0.00 0.00 61.69 62.33 1wh0 s THR 77 Cb 0.22 -3.98 -0.10 0.00 0.01 0.00 0.00 72.50 68.65 1wh0 s THR 77 CO 0.28 -0.26 1.38 -0.89 -0.69 0.00 0.00 174.62 174.44 1wh0 s THR 78 N 2.36 2.64 -0.19 -0.82 2.01 -1.26 -4.69 115.64 115.69 1wh0 s THR 78 Ca 0.17 0.59 0.01 0.00 0.31 0.00 0.00 61.69 62.78 1wh0 s THR 78 Cb -0.16 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 69.00 1wh0 s THR 78 CO 0.14 0.12 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.65 1wh0 s PHE 79 N -0.64 2.84 -0.32 4.92 0.08 -1.22 -2.00 117.98 121.65 1wh0 s PHE 79 Ca 0.54 -1.75 -0.09 0.00 0.12 0.00 0.00 56.93 55.74 1wh0 s PHE 79 Cb -0.41 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.13 1wh0 s PHE 79 CO 0.50 -0.82 0.14 0.50 -0.10 0.00 0.00 175.22 175.44 1wh0 s ARG 80 N 1.27 3.21 -0.41 0.44 3.52 0.80 -2.63 118.95 125.15 1wh0 s ARG 80 Ca 0.03 -0.80 -0.07 0.00 -0.13 0.00 0.00 55.73 54.75 1wh0 s ARG 80 Cb -0.14 -3.54 0.08 0.00 -1.56 0.00 0.00 34.95 29.79 1wh0 s ARG 80 CO -0.11 -0.46 0.23 -0.46 -0.81 0.00 0.00 175.30 173.69 1wh0 s TRP 81 N 1.58 3.38 -0.22 5.12 -0.00 -0.63 0.12 118.94 128.30 1wh0 s TRP 81 Ca 0.04 -1.75 -0.08 0.00 -0.00 0.00 0.00 56.10 54.30 1wh0 s TRP 81 Cb -0.17 -2.98 -0.04 0.00 -0.00 0.00 0.00 33.47 30.28 1wh0 s TRP 81 CO 0.05 -0.88 0.09 -1.14 -0.00 0.00 0.00 176.95 175.07 1wh0 s GLN 82 N 1.35 3.89 -0.06 5.86 0.74 -1.26 0.02 119.66 130.21 1wh0 s GLN 82 Ca 0.03 -0.37 0.02 0.00 0.05 0.00 0.00 55.36 55.10 1wh0 s GLN 82 Cb -0.23 -3.33 -0.03 0.00 1.10 0.00 0.00 33.01 30.52 1wh0 s GLN 82 CO 0.00 0.07 -0.12 0.08 -0.55 0.00 0.00 175.29 174.78 1wh0 s VAL 83 N 0.95 3.29 -0.36 1.34 1.01 -1.08 -5.00 120.40 120.56 1wh0 s VAL 83 Ca 0.05 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1wh0 s VAL 83 Cb -0.14 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1wh0 s VAL 83 CO 0.03 0.59 0.24 -0.75 0.00 0.00 0.00 175.10 175.21 1wh0 s LYS 84 N -0.70 3.20 -0.06 2.72 2.20 -1.26 -2.70 119.74 123.13 1wh0 s LYS 84 Ca 0.11 -0.85 -0.20 0.00 -0.36 0.00 0.00 55.97 54.67 1wh0 s LYS 84 Cb -0.11 -3.81 -0.04 0.00 -1.51 0.00 0.00 37.83 32.36 1wh0 s LYS 84 CO 0.01 -0.58 0.58 -0.51 -0.36 0.00 0.00 175.35 174.49 1wh0 s LEU 85 N 1.66 4.34 0.00 5.43 1.43 -0.93 -0.79 118.68 129.83 1wh0 s LEU 85 Ca 0.05 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.18 1wh0 s LEU 85 Cb -0.18 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.16 1wh0 s LEU 85 CO 0.09 0.01 1.00 0.54 0.23 0.00 0.00 176.35 178.22 1wh0 n ARG 86 N 3.36 0.00 -2.07 1.70 5.12 -1.26 -4.75 116.66 118.76 1wh0 n ARG 86 Ca -0.05 0.69 -0.25 0.00 -1.93 0.00 0.00 57.85 56.31 1wh0 n ARG 86 Cb 0.51 -1.50 0.16 0.00 -1.16 0.00 0.00 32.46 30.47 1wh0 n ARG 86 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1wh0 n ASN 87 N -2.38 0.60 -4.91 0.55 3.02 -1.26 -5.08 115.26 105.79 1wh0 n ASN 87 Ca 0.00 -1.72 -0.27 0.00 -0.03 0.00 0.00 54.58 52.56 1wh0 n ASN 87 Cb 0.00 -0.81 0.04 0.00 -0.61 0.00 0.00 39.78 38.40 1wh0 n ASN 87 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wh0 s LEU 88 N 0.00 3.09 0.34 3.41 1.43 -1.26 -4.75 118.68 120.93 1wh0 s LEU 88 Ca 0.67 0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 54.55 1wh0 s LEU 88 Cb -0.03 -3.59 -0.00 0.00 0.03 0.00 0.00 46.19 42.60 1wh0 s LEU 88 CO 0.46 -1.21 0.45 0.27 0.23 0.00 0.00 176.35 176.55 1wh0 s ILE 89 N -3.13 0.00 -0.45 -0.59 -4.36 0.17 -3.58 121.20 109.27 1wh0 s ILE 89 Ca 0.56 -1.64 0.01 0.00 -0.26 0.00 0.00 60.65 59.32 1wh0 s ILE 89 Cb -0.11 -2.61 0.12 0.00 1.25 0.00 0.00 42.46 41.11 1wh0 s ILE 89 CO 0.47 0.00 0.21 -1.61 0.24 0.00 0.00 174.94 174.25 1wh0 s GLU 90 N -3.15 1.93 0.18 0.37 2.02 0.85 -4.67 118.70 116.23 1wh0 s GLU 90 Ca 0.31 -2.12 0.21 0.00 0.02 0.00 0.00 54.97 53.39 1wh0 s GLU 90 Cb 0.00 -3.44 0.87 0.00 0.10 0.00 0.00 34.13 31.66 1wh0 s GLU 90 CO 0.20 -1.06 1.63 -0.35 0.02 0.00 0.00 175.26 175.71 1wh0 n PRO 91 N 4.00 0.13 0.22 0.39 -0.04 -1.25 -2.40 135.00 136.05 1wh0 n PRO 91 Ca 0.03 0.37 0.15 0.00 -0.04 0.00 0.00 63.50 64.01 1wh0 n PRO 91 Cb 0.39 -1.76 0.56 0.00 -0.04 0.00 0.00 33.50 32.66 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 4.39 -1.92 -3.12 114.58 114.47 1wh0 h GLU 92 Ca 0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 1wh0 h GLU 92 Cb 0.32 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 1wh0 h GLU 92 CO 0.00 0.00 -1.68 1.04 -1.16 0.00 0.00 179.01 177.21 1wh0 n GLN 93 N -2.80 1.24 -0.83 2.33 1.13 -1.01 -5.03 117.38 112.41 1wh0 n GLN 93 Ca 0.02 -0.06 -0.34 0.00 -1.94 0.00 0.00 57.00 54.68 1wh0 n GLN 93 Cb 0.31 -1.29 0.11 0.00 0.11 0.00 0.00 30.24 29.48 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 -2.26 0.02 -0.07 0.00 -4.23 -0.28 -4.98 115.64 103.84 1wh0 s THR 95 Ca 0.52 -0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.86 1wh0 s THR 95 Cb -0.17 -0.65 0.02 0.00 1.34 0.00 0.00 72.50 73.05 1wh0 s THR 95 CO 0.71 -0.09 -0.06 0.72 -0.54 0.00 0.00 174.62 175.35 1wh0 s PHE 96 N -0.47 1.06 -0.15 3.99 -0.71 -1.26 -0.39 117.98 120.05 1wh0 s PHE 96 Ca -0.06 -0.40 -0.08 0.00 -1.04 0.00 0.00 56.93 55.35 1wh0 s PHE 96 Cb -0.03 -0.91 0.05 0.00 -1.21 0.00 0.00 43.02 40.92 1wh0 s PHE 96 CO 0.03 -0.31 0.36 0.00 -1.34 0.00 0.00 175.22 173.96 1wh0 s PHE 98 N 1.29 2.82 0.13 0.00 0.40 -1.26 -0.62 117.98 120.75 1wh0 s PHE 98 Ca -0.09 1.51 0.01 0.00 -0.60 0.00 0.00 56.93 57.75 1wh0 s PHE 98 Cb -0.09 -3.01 -0.00 0.00 0.51 0.00 0.00 43.02 40.43 1wh0 s PHE 98 CO -0.11 -1.48 0.03 0.25 0.70 0.00 0.00 175.22 174.60 1wh0 n THR 99 N -2.94 0.00 0.00 0.64 -2.24 0.46 -4.75 114.28 105.45 1wh0 n THR 99 Ca 0.09 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1wh0 n THR 99 Cb 0.53 0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 -2.46 -0.06 -0.95 6.98 0.00 -1.26 -3.82 120.51 118.94 1wh0 n ALA 100 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1wh0 n ALA 100 Cb 0.19 0.28 0.12 0.00 0.00 0.00 0.00 19.45 20.04 1wh0 n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wh0 n SER 101 N -1.80 2.24 -3.90 0.00 3.41 -1.26 -4.84 113.62 107.47 1wh0 n SER 101 Ca 0.00 -2.91 -0.10 0.00 -0.26 0.00 0.00 58.87 55.60 1wh0 n SER 101 Cb 0.00 -0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 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 -2.55 1.57 -0.04 4.33 1.70 -1.17 -2.25 118.95 120.53 1wh0 s ARG 102 Ca 0.27 -1.36 0.05 0.00 -0.47 0.00 0.00 55.73 54.21 1wh0 s ARG 102 Cb 0.24 0.45 -0.02 0.00 -0.57 0.00 0.00 34.95 35.04 1wh0 s ARG 102 CO 0.03 -0.64 -0.18 0.42 -1.08 0.00 0.00 175.30 173.84 1wh0 s ILE 103 N -3.87 2.75 -0.15 4.99 1.01 -0.71 0.17 121.20 125.40 1wh0 s ILE 103 Ca 0.25 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 60.04 1wh0 s ILE 103 Cb 0.00 -2.05 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1wh0 s ILE 103 CO 0.11 0.59 -0.07 -1.81 0.00 0.00 0.00 174.94 173.76 1wh0 s ASP 104 N -0.69 4.51 -0.14 3.58 1.11 0.21 -1.94 116.67 123.32 1wh0 s ASP 104 Ca 0.11 -0.20 -0.02 0.00 0.18 0.00 0.00 52.55 52.62 1wh0 s ASP 104 Cb -0.10 -1.72 0.04 0.00 1.07 0.00 0.00 42.92 42.21 1wh0 s ASP 104 CO 0.00 0.17 0.02 -0.63 1.18 0.00 0.00 175.17 175.90 1wh0 s ILE 105 N 0.36 0.47 -0.39 0.77 1.01 -1.03 -0.98 121.20 121.41 1wh0 s ILE 105 Ca -0.07 -0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.15 1wh0 s ILE 105 Cb -0.15 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.52 1wh0 s ILE 105 CO 0.04 0.02 0.52 0.00 0.00 0.00 0.00 174.94 175.51 1wh0 s LEU 107 N 2.41 4.21 -0.43 0.00 1.43 0.41 -1.13 118.68 125.58 1wh0 s LEU 107 Ca 0.17 -0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 52.58 1wh0 s LEU 107 Cb -0.16 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.05 1wh0 s LEU 107 CO 0.15 -0.20 0.54 -0.60 0.23 0.00 0.00 176.35 176.46 1wh0 s ARG 108 N 1.64 3.18 0.76 1.70 6.06 -1.26 -1.72 118.95 129.31 1wh0 s ARG 108 Ca 0.05 -0.58 -0.12 0.00 -2.50 0.00 0.00 55.73 52.58 1wh0 s ARG 108 Cb -0.17 -3.96 0.05 0.00 0.06 0.00 0.00 34.95 30.92 1wh0 s ARG 108 CO 0.07 -0.94 1.10 0.15 -2.50 0.00 0.00 175.30 173.19 1wh0 s LYS 109 N 2.48 2.38 -0.05 5.12 1.02 -1.08 -0.11 119.74 129.50 1wh0 s LYS 109 Ca 0.17 0.51 -0.16 0.00 0.02 0.00 0.00 55.97 56.51 1wh0 s LYS 109 Cb -0.16 -1.96 -0.31 0.00 -0.52 0.00 0.00 37.83 34.88 1wh0 s LYS 109 CO 0.16 -1.38 0.75 0.00 -0.92 0.00 0.00 175.35 173.96 1wh0 h ARG 110 N -0.91 0.35 -5.57 1.68 3.08 -1.85 -3.41 114.38 107.75 1wh0 h ARG 110 Ca -0.46 -0.59 -0.45 0.00 0.07 0.00 0.00 59.98 58.55 1wh0 h ARG 110 Cb 1.27 0.22 -0.18 0.00 0.08 0.00 0.00 29.97 31.36 1wh0 h ARG 110 CO 0.62 1.28 -0.76 -0.65 -1.07 0.00 0.00 179.97 179.39 1wh0 s GLN 111 N -2.51 1.11 -1.21 0.04 -0.21 -1.26 -5.07 119.66 110.55 1wh0 s GLN 111 Ca -0.15 -1.30 -0.11 0.00 0.02 0.00 0.00 55.36 53.81 1wh0 s GLN 111 Cb 0.04 -1.03 0.20 0.00 1.00 0.00 0.00 33.01 33.21 1wh0 s GLN 111 CO 0.83 0.20 1.51 0.45 -2.12 0.00 0.00 175.29 176.16 1wh0 n SER 112 N 0.42 5.33 -4.44 5.90 2.88 -1.26 -4.96 113.62 117.49 1wh0 n SER 112 Ca -0.14 -3.05 -0.22 0.00 -1.33 0.00 0.00 58.87 54.13 1wh0 n SER 112 Cb 0.57 -1.50 -0.10 0.00 -0.75 0.00 0.00 64.21 62.43 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 0.52 1.58 0.51 -1.46 -2.07 -1.26 -5.12 119.66 112.36 1wh0 s GLN 113 Ca 0.39 -1.80 -0.22 0.00 -1.82 0.00 0.00 55.36 51.91 1wh0 s GLN 113 Cb -0.00 -1.19 -0.06 0.00 -1.09 0.00 0.00 33.01 30.67 1wh0 s GLN 113 CO -0.00 0.04 1.26 -0.98 -1.32 0.00 0.00 175.29 174.28 1wh0 s ARG 114 N -3.72 3.40 -0.06 9.60 1.70 -1.26 -4.95 118.95 123.65 1wh0 s ARG 114 Ca 0.30 1.98 0.05 0.00 -0.47 0.00 0.00 55.73 57.59 1wh0 s ARG 114 Cb 0.04 -2.29 -0.07 0.00 -0.57 0.00 0.00 34.95 32.06 1wh0 s ARG 114 CO 0.12 -0.91 0.01 0.91 -1.08 0.00 0.00 175.30 174.36 1wh0 n TRP 115 N -0.85 0.00 -2.85 5.89 7.02 -1.26 -4.97 117.44 120.42 1wh0 n TRP 115 Ca 0.09 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.36 1wh0 n TRP 115 Cb 0.47 -0.27 0.02 0.00 -2.42 0.00 0.00 31.31 29.11 1wh0 n TRP 115 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1wh0 n GLY 116 N 2.70 -0.49 0.00 6.99 0.00 -1.26 -4.80 105.19 108.33 1wh0 n GLY 116 Ca -0.09 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.40 3.86 0.39 -0.02 0.00 -1.26 -4.98 105.19 101.77 1wh0 n GLY 117 Ca -0.14 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.15 -9.82 0.99 5.85 -1.94 -3.42 115.31 105.82 1wh0 h LEU 118 Ca 0.00 0.11 -0.49 0.00 0.84 0.00 0.00 57.88 58.33 1wh0 h LEU 118 Cb 0.00 0.40 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1wh0 h LEU 118 CO 0.00 -0.49 0.26 -1.61 -0.34 0.00 0.00 178.44 176.27 1wh0 s GLU 119 N -5.18 4.57 0.38 1.25 2.02 -1.26 -4.30 118.70 116.18 1wh0 s GLU 119 Ca -0.13 1.23 -0.28 0.00 0.02 0.00 0.00 54.97 55.81 1wh0 s GLU 119 Cb 0.04 -3.00 -0.10 0.00 0.10 0.00 0.00 34.13 31.16 1wh0 s GLU 119 CO 0.47 0.41 1.42 0.00 0.02 0.00 0.00 175.26 177.57 1wh0 s ALA 120 N -1.42 3.47 1.10 5.21 0.00 0.03 -4.94 121.76 125.22 1wh0 s ALA 120 Ca 0.44 1.45 -0.08 0.00 0.00 0.00 0.00 51.96 53.77 1wh0 s ALA 120 Cb -0.21 -3.56 0.12 0.00 0.00 0.00 0.00 23.12 19.47 1wh0 s ALA 120 CO 0.25 -0.96 0.44 -0.35 0.00 0.00 0.00 175.76 175.14 1wh0 n PRO 121 N 0.39 -1.88 -3.63 0.00 -0.04 -1.26 -5.00 135.00 123.58 1wh0 n PRO 121 Ca 0.02 -0.70 -0.07 0.00 -0.04 0.00 0.00 63.50 62.71 1wh0 n PRO 121 Cb 0.41 -0.66 -0.06 0.00 -0.04 0.00 0.00 33.50 33.15 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 -2.06 -0.62 0.55 0.00 -1.26 -5.09 121.76 110.28 1wh0 s ALA 122 Ca 0.29 1.76 -0.26 0.00 0.00 0.00 0.00 51.96 53.75 1wh0 s ALA 122 Cb -0.03 -1.40 -0.11 0.00 0.00 0.00 0.00 23.12 21.59 1wh0 s ALA 122 CO 0.22 -0.21 2.45 0.00 0.00 0.00 0.00 175.76 178.22 1wh0 n ALA 123 N 1.50 0.65 -2.44 0.00 0.00 -1.26 -4.88 120.51 114.09 1wh0 n ALA 123 Ca -0.10 -0.93 -0.23 0.00 0.00 0.00 0.00 53.44 52.19 1wh0 n ALA 123 Cb 0.57 -3.08 -0.08 0.00 0.00 0.00 0.00 19.45 16.86 1wh0 n ALA 123 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1wh0 s ARG 124 N 8.45 1.82 0.03 0.00 1.70 -1.26 -5.17 118.95 124.52 1wh0 s ARG 124 Ca 1.03 -2.09 0.03 0.00 -0.47 0.00 0.00 55.73 54.24 1wh0 s ARG 124 Cb -0.33 -0.36 -0.02 0.00 -0.57 0.00 0.00 34.95 33.68 1wh0 s ARG 124 CO 0.27 -0.49 -0.11 0.54 -1.08 0.00 0.00 175.30 174.43 1wh0 s VAL 125 N -3.34 0.83 0.00 4.99 0.11 -1.26 -5.14 120.40 116.59 1wh0 s VAL 125 Ca 0.29 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 1wh0 s VAL 125 Cb 0.03 -0.76 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1wh0 s VAL 125 CO 0.17 -0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 1wh0 n GLY 126 N 2.11 1.88 0.00 6.54 0.00 -1.26 -5.18 105.19 109.28 1wh0 n GLY 126 Ca -0.18 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.32 3.90 3.22 -0.02 0.00 -1.26 -5.16 105.19 105.55 1wh0 n GLY 127 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.41 -3.27 -0.13 4.61 0.00 -1.26 -5.17 121.76 116.14 1wh0 s ALA 128 Ca 0.00 1.65 -0.09 0.00 0.00 0.00 0.00 51.96 53.51 1wh0 s ALA 128 Cb 0.00 -2.36 0.04 0.00 0.00 0.00 0.00 23.12 20.80 1wh0 s ALA 128 CO 0.00 -1.24 0.33 0.45 0.00 0.00 0.00 175.76 175.31 1wh0 s SER 129 N 2.65 -0.38 -0.05 0.00 0.15 -1.26 -5.15 113.70 109.66 1wh0 s SER 129 Ca -0.02 0.70 -0.00 0.00 0.70 0.00 0.00 55.95 57.33 1wh0 s SER 129 Cb -0.07 0.64 0.03 0.00 -1.71 0.00 0.00 66.02 64.91 1wh0 s SER 129 CO -0.13 -0.15 -0.01 -0.83 1.20 0.00 0.00 173.24 173.32 1wh0 s GLY 130 N 0.77 0.37 1.06 9.45 0.00 -1.26 -5.15 107.32 112.57 1wh0 s GLY 130 Ca -0.05 0.01 -0.14 0.00 0.00 0.00 0.00 44.72 44.54 1wh0 s GLY 130 CO -0.05 0.79 1.10 2.56 0.00 0.00 0.00 173.10 177.50 1wh0 s PRO 131 N 1.39 -0.04 -0.23 2.90 0.04 -1.26 -5.09 135.00 132.71 1wh0 s PRO 131 Ca -0.04 0.36 -0.27 0.00 0.04 0.00 0.00 61.00 61.09 1wh0 s PRO 131 Cb -0.13 -1.70 0.12 0.00 0.04 0.00 0.00 34.50 32.84 1wh0 s PRO 131 CO -0.03 -3.01 1.02 -1.12 0.04 0.00 0.00 177.00 173.90 1wh0 s SER 132 N -3.55 -0.42 -0.79 6.66 0.01 -1.26 -5.09 113.70 109.27 1wh0 s SER 132 Ca 0.67 0.68 -0.30 0.00 1.31 0.00 0.00 55.95 58.32 1wh0 s SER 132 Cb -0.17 0.65 -0.16 0.00 0.21 0.00 0.00 66.02 66.55 1wh0 s SER 132 CO 0.57 -0.23 2.57 -0.24 0.41 0.00 0.00 173.24 176.33 1wh0 n SER 133 N 1.64 1.07 -0.77 2.44 2.88 -1.26 -5.38 113.62 114.24 1wh0 n SER 133 Ca -0.12 -0.05 0.10 0.00 -1.33 0.00 0.00 58.87 57.47 1wh0 n SER 133 Cb 0.57 -1.17 0.08 0.00 -0.75 0.00 0.00 64.21 62.94 1wh0 n SER 133 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42