#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh0 s SER 2 N 0.00 4.04 -0.50 1.61 0.15 -1.26 -5.04 113.70 112.70 1wh0 s SER 2 Ca 0.00 -1.58 -0.34 0.00 0.70 0.00 0.00 55.95 54.73 1wh0 s SER 2 Cb 0.00 0.29 -0.13 0.00 -1.71 0.00 0.00 66.02 64.47 1wh0 s SER 2 CO 0.00 -0.75 2.31 -1.20 1.20 0.00 0.00 173.24 174.80 1wh0 n SER 3 N -1.19 1.68 0.00 5.45 7.64 -1.26 -4.81 113.62 121.13 1wh0 n SER 3 Ca -0.15 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1wh0 n SER 3 Cb 0.67 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 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 6.56 0.39 0.47 0.23 0.00 -1.26 -5.06 105.19 106.52 1wh0 n GLY 4 Ca 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.40 1wh0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh0 n SER 5 N 0.00 1.50 -0.01 1.61 2.88 -1.26 -4.97 113.62 113.37 1wh0 n SER 5 Ca 0.00 0.24 -0.01 0.00 -1.33 0.00 0.00 58.87 57.77 1wh0 n SER 5 Cb 0.00 -0.56 -0.00 0.00 -0.75 0.00 0.00 64.21 62.90 1wh0 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wh0 n SER 6 N -3.99 0.24 0.00 -3.46 7.64 -1.26 -5.12 113.62 107.66 1wh0 n SER 6 Ca -0.15 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1wh0 n SER 6 Cb 0.43 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 1.98 -0.47 3.48 0.23 0.00 -1.26 -5.09 105.19 104.06 1wh0 n GLY 7 Ca -0.01 0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 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 1.89 -0.25 1.61 0.11 -1.26 -4.83 120.40 117.67 1wh0 s VAL 8 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 1wh0 s VAL 8 Cb 0.00 -2.13 -0.05 0.00 -1.53 0.00 0.00 36.38 32.68 1wh0 s VAL 8 CO 0.00 0.00 2.17 -1.81 -3.33 0.00 0.00 175.10 172.13 1wh0 s ASP 9 N -2.75 5.46 0.78 3.54 1.11 -1.26 -4.94 116.67 118.60 1wh0 s ASP 9 Ca 0.68 1.77 -0.12 0.00 0.18 0.00 0.00 52.55 55.06 1wh0 s ASP 9 Cb -0.22 -2.51 0.06 0.00 1.07 0.00 0.00 42.92 41.32 1wh0 s ASP 9 CO 0.63 -1.98 1.14 -1.61 1.18 0.00 0.00 175.17 174.53 1wh0 s GLU 10 N 6.36 2.02 0.00 8.23 2.02 -1.26 -4.87 118.70 131.20 1wh0 s GLU 10 Ca 0.98 1.45 0.05 0.00 0.02 0.00 0.00 54.97 57.47 1wh0 s GLU 10 Cb -0.31 -1.85 0.31 0.00 0.10 0.00 0.00 34.13 32.38 1wh0 s GLU 10 CO 0.34 -1.86 0.77 -0.35 0.02 0.00 0.00 175.26 174.18 1wh0 n PRO 11 N -3.29 0.49 -0.29 0.39 -0.04 -1.26 -4.15 135.00 126.85 1wh0 n PRO 11 Ca 0.11 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 1wh0 n PRO 11 Cb 0.52 -1.16 0.01 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.66 -0.20 -0.33 0.54 0.28 -1.26 0.21 120.64 119.22 1wh0 n GLU 12 Ca 0.04 1.15 0.03 0.00 -0.16 0.00 0.00 57.16 58.22 1wh0 n GLU 12 Cb 0.02 -1.71 0.17 0.00 1.43 0.00 0.00 31.44 31.35 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 0.86 -4.15 -1.84 0.87 -1.99 -3.42 113.55 103.88 1wh0 h SER 13 Ca 0.24 0.03 -0.49 0.00 -1.23 0.00 0.00 61.79 60.34 1wh0 h SER 13 Cb 0.43 -0.15 0.06 0.00 -0.44 0.00 0.00 62.40 62.30 1wh0 h SER 13 CO -0.74 0.52 0.39 -0.04 -0.53 0.00 0.00 176.83 176.42 1wh0 s MET 14 N -6.03 3.34 -0.17 2.24 -1.94 0.58 -4.90 119.30 112.42 1wh0 s MET 14 Ca -0.12 1.33 -0.15 0.00 -1.71 0.00 0.00 55.69 55.04 1wh0 s MET 14 Cb 0.20 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.97 1wh0 s MET 14 CO 0.80 -0.81 0.37 0.08 -0.01 0.00 0.00 175.02 175.45 1wh0 s VAL 15 N -2.22 5.24 -0.23 -6.03 1.01 0.33 -4.94 120.40 113.55 1wh0 s VAL 15 Ca 0.66 0.68 -0.16 0.00 0.00 0.00 0.00 61.98 63.16 1wh0 s VAL 15 Cb -0.18 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1wh0 s VAL 15 CO 0.32 0.32 0.42 0.20 0.00 0.00 0.00 175.10 176.36 1wh0 s ASN 16 N 0.77 6.39 0.46 3.32 -0.87 -1.26 0.12 114.94 123.87 1wh0 s ASN 16 Ca 0.19 0.46 -0.22 0.00 -1.57 0.00 0.00 52.86 51.73 1wh0 s ASN 16 Cb -0.14 -2.24 -0.08 0.00 -0.02 0.00 0.00 41.25 38.77 1wh0 s ASN 16 CO 0.07 -0.15 1.06 -0.76 -2.57 0.00 0.00 177.10 174.75 1wh0 s LEU 17 N 1.71 3.96 -0.15 0.60 1.43 0.66 -4.85 118.68 122.04 1wh0 s LEU 17 Ca 0.19 2.02 0.09 0.00 -1.03 0.00 0.00 54.13 55.40 1wh0 s LEU 17 Cb -0.15 -4.39 -0.15 0.00 0.03 0.00 0.00 46.19 41.52 1wh0 s LEU 17 CO 0.09 -0.72 -0.01 0.00 0.23 0.00 0.00 176.35 175.94 1wh0 n ALA 18 N -0.61 1.64 -3.65 4.21 0.00 -1.26 -4.58 120.51 116.26 1wh0 n ALA 18 Ca 0.08 -0.87 -0.06 0.00 0.00 0.00 0.00 53.44 52.58 1wh0 n ALA 18 Cb 0.51 -0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.34 -0.95 -0.15 0.00 5.36 -1.26 -5.08 117.98 113.56 1wh0 s PHE 19 Ca -0.12 1.73 -0.01 0.00 -0.96 0.00 0.00 56.93 57.57 1wh0 s PHE 19 Cb 0.05 0.43 -0.01 0.00 -0.34 0.00 0.00 43.02 43.15 1wh0 s PHE 19 CO 0.52 -0.54 -0.12 0.08 -1.46 0.00 0.00 175.22 173.70 1wh0 s VAL 20 N 2.69 3.04 -0.51 3.12 1.01 -1.26 -5.06 120.40 123.43 1wh0 s VAL 20 Ca -0.02 -0.65 -0.26 0.00 0.00 0.00 0.00 61.98 61.04 1wh0 s VAL 20 Cb -0.12 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.92 1wh0 s VAL 20 CO -0.14 0.51 2.14 -0.75 0.00 0.00 0.00 175.10 176.85 1wh0 s LYS 21 N 0.57 2.46 0.27 2.72 2.36 -1.26 -4.90 119.74 121.96 1wh0 s LYS 21 Ca -0.08 1.13 -0.09 0.00 -2.55 0.00 0.00 55.97 54.39 1wh0 s LYS 21 Cb -0.16 -4.47 -0.01 0.00 -1.05 0.00 0.00 37.83 32.15 1wh0 s LYS 21 CO 0.03 -2.89 0.44 0.54 1.55 0.00 0.00 175.35 175.02 1wh0 s ASN 22 N 9.90 0.20 -0.09 1.43 2.20 -1.26 -0.30 114.94 127.02 1wh0 s ASN 22 Ca 0.84 -1.14 -0.04 0.00 -0.94 0.00 0.00 52.86 51.58 1wh0 s ASN 22 Cb -0.17 0.58 0.05 0.00 -2.00 0.00 0.00 41.25 39.72 1wh0 s ASN 22 CO 0.25 -1.15 0.18 -1.81 -2.94 0.00 0.00 177.10 171.62 1wh0 s ASP 23 N -3.10 0.41 -0.19 3.54 1.01 0.12 -4.93 116.67 113.53 1wh0 s ASP 23 Ca 0.27 0.38 -0.01 0.00 0.71 0.00 0.00 52.55 53.90 1wh0 s ASP 23 Cb 0.00 0.33 0.00 0.00 1.01 0.00 0.00 42.92 44.27 1wh0 s ASP 23 CO 0.12 -0.21 -0.13 -0.94 0.21 0.00 0.00 175.17 174.22 1wh0 s SER 24 N 1.97 3.70 0.03 0.27 1.04 -1.26 0.71 113.70 120.16 1wh0 s SER 24 Ca -0.01 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 55.92 1wh0 s SER 24 Cb -0.12 -1.60 -0.04 0.00 0.10 0.00 0.00 66.02 64.37 1wh0 s SER 24 CO -0.06 0.01 0.10 -0.72 0.98 0.00 0.00 173.24 173.55 1wh0 s TYR 25 N 1.25 3.30 -0.50 5.02 1.13 -0.62 -4.96 117.35 121.97 1wh0 s TYR 25 Ca 0.03 0.18 -0.28 0.00 -1.41 0.00 0.00 57.07 55.59 1wh0 s TYR 25 Cb -0.14 -1.71 0.00 0.00 -1.10 0.00 0.00 41.96 39.01 1wh0 s TYR 25 CO -0.06 0.55 1.53 -1.21 -2.51 0.00 0.00 175.55 173.85 1wh0 s GLU 26 N -2.05 3.29 0.20 -3.49 8.01 -1.26 -2.78 118.70 120.62 1wh0 s GLU 26 Ca 0.27 0.74 0.07 0.00 0.01 0.00 0.00 54.97 56.05 1wh0 s GLU 26 Cb -0.12 -4.14 -0.04 0.00 -4.31 0.00 0.00 34.13 25.52 1wh0 s GLU 26 CO 0.18 -1.93 0.11 0.21 0.01 0.00 0.00 175.26 173.84 1wh0 s LYS 27 N 5.58 2.73 0.40 1.61 2.20 -0.87 -5.00 119.74 126.39 1wh0 s LYS 27 Ca 0.61 -1.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.18 1wh0 s LYS 27 Cb -0.13 -2.51 0.00 0.00 -1.51 0.00 0.00 37.83 33.68 1wh0 s LYS 27 CO 0.28 0.44 0.00 0.41 -0.36 0.00 0.00 175.35 176.12 1wh0 n GLY 28 N -0.59 -0.20 0.09 5.54 0.00 -1.26 -1.83 105.19 106.94 1wh0 n GLY 28 Ca -0.08 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 1wh0 n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 h PRO 29 N 0.00 -0.10 0.00 1.61 0.13 -1.96 -3.36 132.00 128.32 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 0.01 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1wh0 h PRO 29 CO 0.00 0.34 -0.07 -0.40 -0.23 0.00 0.00 178.00 177.65 1wh0 n ASP 30 N -4.92 1.93 -4.89 1.44 5.68 -1.26 -4.36 116.55 110.17 1wh0 n ASP 30 Ca -0.09 -2.76 -0.30 0.00 -0.50 0.00 0.00 54.79 51.14 1wh0 n ASP 30 Cb 0.25 -0.33 -0.04 0.00 -1.14 0.00 0.00 41.12 39.85 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 -2.32 6.51 -0.26 -1.12 0.01 -0.76 0.32 113.70 116.08 1wh0 s SER 31 Ca 0.23 0.71 -0.01 0.00 1.31 0.00 0.00 55.95 58.20 1wh0 s SER 31 Cb 0.20 -2.14 0.15 0.00 0.21 0.00 0.00 66.02 64.43 1wh0 s SER 31 CO 0.02 -0.07 0.39 -0.69 0.41 0.00 0.00 173.24 173.30 1wh0 s VAL 32 N -1.85 -0.61 0.15 3.43 1.01 -0.31 -2.04 120.40 120.17 1wh0 s VAL 32 Ca 0.44 -0.17 -0.15 0.00 0.00 0.00 0.00 61.98 62.09 1wh0 s VAL 32 Cb -0.11 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.30 1wh0 s VAL 32 CO 0.25 -0.20 0.56 -0.69 0.00 0.00 0.00 175.10 175.03 1wh0 s VAL 33 N 2.54 4.83 -0.02 2.92 1.01 -1.12 -0.11 120.40 130.46 1wh0 s VAL 33 Ca 0.12 0.89 0.06 0.00 0.00 0.00 0.00 61.98 63.05 1wh0 s VAL 33 Cb -0.14 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 1wh0 s VAL 33 CO -0.22 0.26 -0.21 -0.69 0.00 0.00 0.00 175.10 174.24 1wh0 s VAL 34 N -1.44 1.67 -0.34 2.92 1.01 -0.73 -1.59 120.40 121.89 1wh0 s VAL 34 Ca 0.37 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1wh0 s VAL 34 Cb -0.15 -1.39 0.09 0.00 0.00 0.00 0.00 36.38 34.93 1wh0 s VAL 34 CO 0.19 0.47 0.05 -1.00 0.00 0.00 0.00 175.10 174.82 1wh0 s HIS 35 N -0.41 3.64 -0.19 5.22 3.76 0.22 -2.58 115.29 124.96 1wh0 s HIS 35 Ca 0.06 -2.75 -0.20 0.00 -0.15 0.00 0.00 55.06 52.02 1wh0 s HIS 35 Cb -0.09 -2.80 -0.03 0.00 1.11 0.00 0.00 32.58 30.77 1wh0 s HIS 35 CO -0.00 -0.94 0.57 0.08 -0.85 0.00 0.00 174.74 173.60 1wh0 s VAL 36 N 0.99 5.07 -0.62 -0.90 1.01 -0.53 0.11 120.40 125.53 1wh0 s VAL 36 Ca 0.07 1.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.86 1wh0 s VAL 36 Cb -0.20 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.32 1wh0 s VAL 36 CO -0.07 0.16 1.14 -0.31 0.00 0.00 0.00 175.10 176.03 1wh0 s TYR 37 N 1.63 2.57 -0.18 5.22 1.51 0.58 -1.12 117.35 127.57 1wh0 s TYR 37 Ca 0.27 0.13 -0.30 0.00 -1.01 0.00 0.00 57.07 56.16 1wh0 s TYR 37 Cb -0.16 -4.44 0.13 0.00 -0.11 0.00 0.00 41.96 37.39 1wh0 s TYR 37 CO 0.10 -1.67 1.04 0.54 -1.11 0.00 0.00 175.55 174.45 1wh0 s VAL 38 N 4.88 0.00 0.34 0.71 0.11 -0.98 -4.76 120.40 120.70 1wh0 s VAL 38 Ca 0.37 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.46 1wh0 s VAL 38 Cb -0.09 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 1wh0 s VAL 38 CO 0.20 0.00 0.16 -0.54 -3.33 0.00 0.00 175.10 171.59 1wh0 s LYS 39 N -1.06 1.73 -1.36 1.54 1.02 -1.26 -3.22 119.74 117.14 1wh0 s LYS 39 Ca -0.01 -2.02 -0.01 0.00 0.02 0.00 0.00 55.97 53.96 1wh0 s LYS 39 Cb -0.01 -0.25 0.01 0.00 -0.52 0.00 0.00 37.83 37.06 1wh0 s LYS 39 CO 0.00 -0.47 0.62 0.39 -0.92 0.00 0.00 175.35 174.97 1wh0 n GLU 40 N -0.71 -4.36 -3.87 1.68 -0.58 -1.26 -3.74 120.64 107.80 1wh0 n GLU 40 Ca -0.01 0.54 -0.33 0.00 -0.42 0.00 0.00 57.16 56.94 1wh0 n GLU 40 Cb 0.65 -4.97 -0.05 0.00 -0.57 0.00 0.00 31.44 26.50 1wh0 n GLU 40 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wh0 s ILE 41 N -3.74 5.39 -0.52 -3.67 1.01 -1.26 -0.95 121.20 117.45 1wh0 s ILE 41 Ca 0.05 -0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.38 1wh0 s ILE 41 Cb -0.03 -3.57 0.08 0.00 0.01 0.00 0.00 42.46 38.96 1wh0 s ILE 41 CO 0.84 0.27 0.57 0.00 0.00 0.00 0.00 174.94 176.62 1wh0 n ARG 43 N 5.84 0.02 0.05 0.00 1.74 -1.26 -0.68 116.66 122.37 1wh0 n ARG 43 Ca -0.10 0.31 -0.16 0.00 -0.77 0.00 0.00 57.85 57.13 1wh0 n ARG 43 Cb 0.44 -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 0.33 -0.29 0.55 3.32 -2.00 -3.35 116.42 114.99 1wh0 h ASP 44 Ca 0.00 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1wh0 h ASP 44 Cb 0.16 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1wh0 h ASP 44 CO 0.00 1.43 0.00 0.35 -1.72 0.00 0.00 179.24 179.30 1wh0 n THR 45 N -3.40 1.61 -4.05 0.35 -2.24 -0.85 -4.93 114.28 100.77 1wh0 n THR 45 Ca -0.18 -1.43 -0.33 0.00 -2.27 0.00 0.00 64.05 59.84 1wh0 n THR 45 Cb 1.04 0.14 -0.15 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.46 3.87 0.46 3.42 0.01 0.15 -4.32 113.70 115.83 1wh0 s SER 46 Ca 0.31 -0.88 0.03 0.00 1.31 0.00 0.00 55.95 56.72 1wh0 s SER 46 Cb 0.22 -1.57 -0.01 0.00 0.21 0.00 0.00 66.02 64.87 1wh0 s SER 46 CO 0.12 -0.09 0.10 0.00 0.41 0.00 0.00 173.24 173.78 1wh0 s ARG 47 N 1.27 2.08 -0.14 12.44 1.04 0.66 -4.78 118.95 131.52 1wh0 s ARG 47 Ca 0.00 -2.32 -0.08 0.00 -1.04 0.00 0.00 55.73 52.30 1wh0 s ARG 47 Cb -0.16 -0.90 0.05 0.00 -2.04 0.00 0.00 34.95 31.90 1wh0 s ARG 47 CO -0.08 -0.50 0.33 0.08 -0.04 0.00 0.00 175.30 175.10 1wh0 s VAL 48 N -3.07 -0.03 -0.21 4.99 1.01 -1.26 0.12 120.40 121.94 1wh0 s VAL 48 Ca 0.14 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 1wh0 s VAL 48 Cb 0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 1wh0 s VAL 48 CO 0.10 0.04 0.04 -0.76 0.00 0.00 0.00 175.10 174.52 1wh0 s LEU 49 N 1.19 3.45 -0.43 3.92 2.01 0.12 -4.99 118.68 123.95 1wh0 s LEU 49 Ca -0.08 -0.14 -0.13 0.00 0.01 0.00 0.00 54.13 53.78 1wh0 s LEU 49 Cb -0.08 -1.89 0.05 0.00 0.01 0.00 0.00 46.19 44.28 1wh0 s LEU 49 CO -0.09 0.05 0.31 -0.36 1.01 0.00 0.00 176.35 177.27 1wh0 s PHE 50 N 1.08 3.26 0.50 0.29 0.08 -1.26 -1.03 117.98 120.90 1wh0 s PHE 50 Ca 0.03 -0.97 -0.00 0.00 0.12 0.00 0.00 56.93 56.11 1wh0 s PHE 50 Cb -0.14 -2.86 0.10 0.00 -0.57 0.00 0.00 43.02 39.55 1wh0 s PHE 50 CO 0.02 -0.73 0.69 0.54 -0.10 0.00 0.00 175.22 175.64 1wh0 n ARG 51 N 5.10 0.11 0.07 0.44 5.12 0.06 -4.59 116.66 122.98 1wh0 n ARG 51 Ca -0.12 -1.87 -0.21 0.00 -1.93 0.00 0.00 57.85 53.73 1wh0 n ARG 51 Cb 0.45 -0.46 -0.15 0.00 -1.16 0.00 0.00 32.46 31.14 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 0.35 0.00 5.56 4.11 -1.98 -3.32 114.58 119.30 1wh0 h GLU 52 Ca -0.23 -0.60 -0.01 0.00 0.07 0.00 0.00 59.36 58.60 1wh0 h GLU 52 Cb 0.84 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1wh0 h GLU 52 CO 0.24 1.25 -0.21 0.94 0.07 0.00 0.00 179.01 181.30 1wh0 n GLN 53 N -3.54 1.19 -3.75 1.06 7.27 -1.26 0.14 117.38 118.49 1wh0 n GLN 53 Ca -0.21 -2.59 -0.00 0.00 0.07 0.00 0.00 57.00 54.26 1wh0 n GLN 53 Cb 1.07 -1.38 0.02 0.00 2.41 0.00 0.00 30.24 32.35 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 -1.16 -1.39 -3.32 1.69 5.75 -1.26 -2.67 116.55 114.19 1wh0 n ASP 54 Ca 0.15 -1.58 0.03 0.00 -0.01 0.00 0.00 54.79 53.37 1wh0 n ASP 54 Cb 0.68 2.23 -0.03 0.00 -1.03 0.00 0.00 41.12 42.97 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 -2.27 -0.91 -0.02 2.11 -0.12 -1.19 -0.76 117.98 114.83 1wh0 s PHE 55 Ca 0.24 1.28 -0.06 0.00 -0.05 0.00 0.00 56.93 58.35 1wh0 s PHE 55 Cb -0.02 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 1wh0 s PHE 55 CO 0.03 -0.47 0.23 0.99 -0.05 0.00 0.00 175.22 175.94 1wh0 s THR 56 N 2.72 5.37 -0.21 -4.49 2.01 -0.20 -3.11 115.64 117.72 1wh0 s THR 56 Ca 0.02 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.12 1wh0 s THR 56 Cb -0.10 -3.53 0.05 0.00 0.01 0.00 0.00 72.50 68.93 1wh0 s THR 56 CO -0.17 0.40 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.86 1wh0 s LEU 57 N -1.67 2.39 -0.28 4.42 2.96 -0.18 0.16 118.68 126.48 1wh0 s LEU 57 Ca 0.25 -0.99 -0.08 0.00 -0.22 0.00 0.00 54.13 53.09 1wh0 s LEU 57 Cb -0.13 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 1wh0 s LEU 57 CO 0.15 -0.18 0.11 -0.63 -1.32 0.00 0.00 176.35 174.48 1wh0 s ILE 58 N 1.39 4.45 -0.13 6.68 1.09 0.12 -1.60 121.20 133.20 1wh0 s ILE 58 Ca -0.03 -0.31 -0.16 0.00 -1.10 0.00 0.00 60.65 59.05 1wh0 s ILE 58 Cb -0.17 -3.18 0.04 0.00 -1.06 0.00 0.00 42.46 38.08 1wh0 s ILE 58 CO -0.07 0.19 0.43 0.72 -0.10 0.00 0.00 174.94 176.11 1wh0 s PHE 59 N 1.61 -0.44 -0.38 3.97 -0.12 -1.07 0.24 117.98 121.80 1wh0 s PHE 59 Ca 0.05 1.00 -0.08 0.00 -0.05 0.00 0.00 56.93 57.85 1wh0 s PHE 59 Cb -0.16 0.17 0.05 0.00 -0.63 0.00 0.00 43.02 42.45 1wh0 s PHE 59 CO 0.05 -0.28 0.19 -0.65 -0.05 0.00 0.00 175.22 174.48 1wh0 s GLN 60 N -0.14 2.65 0.05 1.99 -0.21 -1.26 -3.43 119.66 119.30 1wh0 s GLN 60 Ca -0.03 -1.28 -0.04 0.00 0.02 0.00 0.00 55.36 54.03 1wh0 s GLN 60 Cb -0.03 -3.65 -0.05 0.00 1.00 0.00 0.00 33.01 30.28 1wh0 s GLN 60 CO 0.02 -0.79 0.27 -0.08 -2.12 0.00 0.00 175.29 172.59 1wh0 s THR 61 N 1.44 5.30 -0.09 -0.19 -1.32 -1.26 -2.33 115.64 117.19 1wh0 s THR 61 Ca 0.01 -0.01 0.13 0.00 -1.21 0.00 0.00 61.69 60.61 1wh0 s THR 61 Cb -0.21 -3.59 0.20 0.00 -1.51 0.00 0.00 72.50 67.39 1wh0 s THR 61 CO 0.03 0.24 1.09 -2.11 -2.21 0.00 0.00 174.62 171.67 1wh0 n ARG 62 N 0.69 1.01 -2.70 7.08 1.85 -0.13 -4.13 116.66 120.33 1wh0 n ARG 62 Ca -0.08 -2.10 -0.42 0.00 -1.00 0.00 0.00 57.85 54.25 1wh0 n ARG 62 Cb 0.52 -1.21 -0.03 0.00 -1.05 0.00 0.00 32.46 30.69 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 -2.27 6.29 0.39 2.89 2.15 -1.25 -4.88 116.67 119.98 1wh0 s ASP 63 Ca 0.22 -0.38 0.32 0.00 0.43 0.00 0.00 52.55 53.14 1wh0 s ASP 63 Cb 0.19 -2.50 1.26 0.00 -0.30 0.00 0.00 42.92 41.58 1wh0 s ASP 63 CO 0.02 -1.50 1.22 0.61 -0.17 0.00 0.00 175.17 175.35 1wh0 n GLY 64 N 5.22 -0.71 0.17 2.66 0.00 -1.26 0.21 105.19 111.48 1wh0 n GLY 64 Ca 0.03 0.57 -0.11 0.00 0.00 0.00 0.00 46.02 46.51 1wh0 n GLY 64 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1wh0 h ASN 65 N 0.00 0.51 0.35 1.61 2.35 -1.98 0.29 115.58 118.71 1wh0 h ASN 65 Ca 0.71 -0.28 -0.28 0.00 -0.55 0.00 0.00 56.30 55.91 1wh0 h ASN 65 Cb 2.58 -0.14 0.02 0.00 0.05 0.00 0.00 38.32 40.83 1wh0 h ASN 65 CO -0.19 0.66 -1.20 0.15 -1.65 0.00 0.00 177.43 175.19 1wh0 h PHE 66 N 0.34 0.75 0.07 1.19 3.04 0.22 -3.32 116.94 119.23 1wh0 h PHE 66 Ca 0.09 -0.49 -0.00 0.00 3.98 0.00 0.00 57.97 61.55 1wh0 h PHE 66 Cb 0.37 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.83 1wh0 h PHE 66 CO 0.03 1.35 -0.03 -0.07 -2.02 0.00 0.00 178.31 177.56 1wh0 h LEU 67 N 0.19 -0.08 -1.00 0.59 3.38 -0.84 -3.11 115.31 114.44 1wh0 h LEU 67 Ca -0.15 -0.35 0.37 0.00 0.09 0.00 0.00 57.88 57.84 1wh0 h LEU 67 Cb 1.89 0.02 -0.17 0.00 0.09 0.00 0.00 40.66 42.49 1wh0 h LEU 67 CO 0.21 0.32 0.51 0.03 0.09 0.00 0.00 178.44 179.61 1wh0 h ARG 68 N -0.49 0.11 -0.98 1.13 3.08 -0.53 1.13 114.38 117.83 1wh0 h ARG 68 Ca -0.01 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.09 1wh0 h ARG 68 Cb 0.42 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 1wh0 h ARG 68 CO 0.02 0.07 0.64 -0.07 -1.07 0.00 0.00 179.97 179.56 1wh0 h LEU 69 N 0.11 1.03 -7.75 3.04 3.38 -1.64 -3.32 115.31 110.17 1wh0 h LEU 69 Ca 0.79 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 58.01 1wh0 h LEU 69 Cb 1.97 -0.22 -0.30 0.00 0.09 0.00 0.00 40.66 42.20 1wh0 h LEU 69 CO -0.72 0.67 -0.13 -1.00 0.09 0.00 0.00 178.44 177.35 1wh0 s HIS 70 N -6.01 3.58 0.47 1.13 3.76 0.39 -5.07 115.29 113.53 1wh0 s HIS 70 Ca -0.12 -2.23 -0.23 0.00 -0.15 0.00 0.00 55.06 52.34 1wh0 s HIS 70 Cb 0.20 -3.56 -0.07 0.00 1.11 0.00 0.00 32.58 30.26 1wh0 s HIS 70 CO 0.81 -0.94 1.16 -1.25 -0.85 0.00 0.00 174.74 173.68 1wh0 s PRO 71 N 0.24 3.72 0.00 8.40 0.04 -1.25 -3.33 135.00 142.82 1wh0 s PRO 71 Ca 0.16 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1wh0 s PRO 71 Cb -0.16 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1wh0 s PRO 71 CO -0.06 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 176.81 1wh0 n GLY 72 N 0.41 3.24 3.94 0.56 0.00 -1.26 -5.03 105.19 107.04 1wh0 n GLY 72 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.89 3.78 0.19 0.00 0.00 -1.26 -5.00 105.19 101.01 1wh0 n GLY 74 Ca 0.04 -1.20 -0.03 0.00 0.00 0.00 0.00 46.02 44.83 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 0.26 -0.43 1.61 0.13 -1.92 -2.70 132.00 128.96 1wh0 h PRO 75 Ca 0.00 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 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 0.67 0.00 -2.39 -0.23 0.00 0.00 178.00 176.05 1wh0 n HIS 76 N -3.99 0.53 -3.34 1.56 1.44 -1.26 -4.44 115.22 105.72 1wh0 n HIS 76 Ca -0.02 -0.24 -0.39 0.00 -2.01 0.00 0.00 57.72 55.06 1wh0 n HIS 76 Cb 0.52 -0.06 -0.08 0.00 0.12 0.00 0.00 29.99 30.48 1wh0 n HIS 76 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1wh0 s THR 77 N -1.61 5.14 0.21 0.61 2.01 -1.02 -5.05 115.64 115.92 1wh0 s THR 77 Ca 0.22 0.68 -0.30 0.00 0.31 0.00 0.00 61.69 62.60 1wh0 s THR 77 Cb 0.13 -3.74 -0.09 0.00 0.01 0.00 0.00 72.50 68.81 1wh0 s THR 77 CO 0.13 0.14 1.26 -0.89 -0.69 0.00 0.00 174.62 174.57 1wh0 s THR 78 N 2.11 3.31 -0.21 -0.82 2.01 -1.26 -4.66 115.64 116.13 1wh0 s THR 78 Ca 0.17 1.11 0.01 0.00 0.31 0.00 0.00 61.69 63.29 1wh0 s THR 78 Cb -0.16 -3.71 0.03 0.00 0.01 0.00 0.00 72.50 68.67 1wh0 s THR 78 CO 0.10 0.18 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.68 1wh0 s PHE 79 N -0.07 2.93 -0.32 4.92 0.08 -1.22 -0.51 117.98 123.78 1wh0 s PHE 79 Ca 0.54 -1.77 -0.07 0.00 0.12 0.00 0.00 56.93 55.75 1wh0 s PHE 79 Cb -0.35 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.18 1wh0 s PHE 79 CO 0.39 -0.81 0.11 0.50 -0.10 0.00 0.00 175.22 175.30 1wh0 s ARG 80 N 1.26 2.91 -0.49 0.44 3.52 0.12 -2.59 118.95 124.12 1wh0 s ARG 80 Ca 0.01 -0.99 -0.12 0.00 -0.13 0.00 0.00 55.73 54.50 1wh0 s ARG 80 Cb -0.15 -3.45 0.11 0.00 -1.56 0.00 0.00 34.95 29.90 1wh0 s ARG 80 CO -0.10 -0.55 0.39 -0.46 -0.81 0.00 0.00 175.30 173.78 1wh0 s TRP 81 N 1.48 3.33 -0.25 5.12 -0.00 -0.63 -0.25 118.94 127.74 1wh0 s TRP 81 Ca 0.01 -1.50 -0.10 0.00 -0.00 0.00 0.00 56.10 54.51 1wh0 s TRP 81 Cb -0.18 -3.48 -0.05 0.00 -0.00 0.00 0.00 33.47 29.76 1wh0 s TRP 81 CO 0.03 -0.96 0.15 -1.14 -0.00 0.00 0.00 176.95 175.04 1wh0 s GLN 82 N 1.49 3.98 -0.08 5.86 0.74 -1.26 -1.01 119.66 129.38 1wh0 s GLN 82 Ca 0.04 -0.31 0.02 0.00 0.05 0.00 0.00 55.36 55.16 1wh0 s GLN 82 Cb -0.27 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.29 1wh0 s GLN 82 CO 0.02 -0.03 -0.13 0.08 -0.55 0.00 0.00 175.29 174.68 1wh0 s VAL 83 N 1.30 3.11 -0.47 1.34 1.01 -1.18 -5.02 120.40 120.48 1wh0 s VAL 83 Ca 0.07 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.19 1wh0 s VAL 83 Cb -0.14 -2.25 0.06 0.00 0.00 0.00 0.00 36.38 34.04 1wh0 s VAL 83 CO 0.06 0.57 0.49 -0.75 0.00 0.00 0.00 175.10 175.47 1wh0 s LYS 84 N -0.33 3.06 -0.39 2.72 2.20 -1.26 -3.16 119.74 122.57 1wh0 s LYS 84 Ca 0.03 -1.05 -0.27 0.00 -0.36 0.00 0.00 55.97 54.31 1wh0 s LYS 84 Cb -0.13 -4.09 0.02 0.00 -1.51 0.00 0.00 37.83 32.13 1wh0 s LYS 84 CO 0.02 -1.06 1.02 -0.51 -0.36 0.00 0.00 175.35 174.46 1wh0 s LEU 85 N 2.12 3.89 0.18 5.43 1.43 -1.09 -1.31 118.68 129.33 1wh0 s LEU 85 Ca 0.10 0.62 -0.25 0.00 -1.03 0.00 0.00 54.13 53.57 1wh0 s LEU 85 Cb -0.21 -3.40 0.06 0.00 0.03 0.00 0.00 46.19 42.68 1wh0 s LEU 85 CO 0.10 -0.98 1.55 0.03 0.23 0.00 0.00 176.35 177.28 1wh0 h ARG 86 N 8.64 -0.10 -6.89 1.70 2.47 -1.85 -3.41 114.38 114.94 1wh0 h ARG 86 Ca -0.23 0.01 -0.45 0.00 -1.26 0.00 0.00 59.98 58.06 1wh0 h ARG 86 Cb 1.07 0.02 0.05 0.00 -1.65 0.00 0.00 29.97 29.47 1wh0 h ARG 86 CO 1.04 -0.07 -0.01 1.21 0.56 0.00 0.00 179.97 182.70 1wh0 s ASN 87 N -5.31 5.05 0.89 7.04 2.47 -1.26 -5.10 114.94 118.72 1wh0 s ASN 87 Ca -0.13 -0.14 -0.13 0.00 0.42 0.00 0.00 52.86 52.88 1wh0 s ASN 87 Cb 0.15 -0.61 0.13 0.00 -1.45 0.00 0.00 41.25 39.47 1wh0 s ASN 87 CO 0.66 -1.32 1.18 -0.76 -3.72 0.00 0.00 177.10 173.14 1wh0 s LEU 88 N -4.85 2.25 0.28 3.21 1.43 -1.26 -4.76 118.68 114.98 1wh0 s LEU 88 Ca 0.60 0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 54.29 1wh0 s LEU 88 Cb -0.09 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.07 1wh0 s LEU 88 CO 0.40 -2.41 0.62 0.27 0.23 0.00 0.00 176.35 175.47 1wh0 s ILE 89 N -3.48 0.00 -0.44 -0.59 -4.36 0.38 -3.68 121.20 109.03 1wh0 s ILE 89 Ca 0.65 -1.18 -0.02 0.00 -0.26 0.00 0.00 60.65 59.84 1wh0 s ILE 89 Cb -0.11 -2.16 0.12 0.00 1.25 0.00 0.00 42.46 41.55 1wh0 s ILE 89 CO 0.52 0.00 0.23 -1.61 0.24 0.00 0.00 174.94 174.32 1wh0 s GLU 90 N -3.81 2.05 0.18 0.37 2.02 0.59 -4.54 118.70 115.56 1wh0 s GLU 90 Ca 0.16 -1.93 0.21 0.00 0.02 0.00 0.00 54.97 53.43 1wh0 s GLU 90 Cb -0.04 -3.58 0.87 0.00 0.10 0.00 0.00 34.13 31.48 1wh0 s GLU 90 CO 0.09 -1.08 1.63 -0.35 0.02 0.00 0.00 175.26 175.57 1wh0 n PRO 91 N 4.40 0.14 0.23 0.39 -0.04 -1.25 -2.47 135.00 136.40 1wh0 n PRO 91 Ca -0.00 0.38 0.16 0.00 -0.04 0.00 0.00 63.50 63.99 1wh0 n PRO 91 Cb 0.41 -1.76 0.65 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.91 -3.02 114.58 114.58 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 -1.67 1.04 -1.16 0.00 0.00 179.01 177.22 1wh0 n GLN 93 N -2.78 1.26 -0.79 2.33 1.13 -1.03 -5.03 117.38 112.46 1wh0 n GLN 93 Ca 0.01 -0.06 -0.34 0.00 -1.94 0.00 0.00 57.00 54.67 1wh0 n GLN 93 Cb 0.26 -1.29 0.12 0.00 0.11 0.00 0.00 30.24 29.44 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 -2.25 0.00 -0.11 0.00 -4.23 -0.60 -4.97 115.64 103.48 1wh0 s THR 95 Ca 0.53 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 1wh0 s THR 95 Cb -0.14 -0.90 0.02 0.00 1.34 0.00 0.00 72.50 72.82 1wh0 s THR 95 CO 0.69 -0.02 -0.11 0.72 -0.54 0.00 0.00 174.62 175.36 1wh0 s PHE 96 N -0.11 1.71 -0.14 3.99 -0.12 -1.26 -0.76 117.98 121.29 1wh0 s PHE 96 Ca -0.03 -0.85 -0.07 0.00 -0.05 0.00 0.00 56.93 55.93 1wh0 s PHE 96 Cb -0.03 -1.32 0.06 0.00 -0.63 0.00 0.00 43.02 41.09 1wh0 s PHE 96 CO 0.03 -0.51 0.33 0.00 -0.05 0.00 0.00 175.22 175.02 1wh0 s PHE 98 N 1.47 2.92 0.09 0.00 0.40 -1.26 -0.90 117.98 120.69 1wh0 s PHE 98 Ca -0.08 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.77 1wh0 s PHE 98 Cb -0.10 -3.05 -0.00 0.00 0.51 0.00 0.00 43.02 40.38 1wh0 s PHE 98 CO -0.11 -1.21 0.01 0.25 0.70 0.00 0.00 175.22 174.86 1wh0 n THR 99 N -2.00 0.00 0.00 0.64 -2.24 0.42 -4.80 114.28 106.31 1wh0 n THR 99 Ca 0.09 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1wh0 n THR 99 Cb 0.53 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 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 -2.67 -0.03 -0.65 6.98 0.00 -1.26 -3.83 120.51 119.05 1wh0 n ALA 100 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.45 1wh0 n ALA 100 Cb 0.12 0.31 0.07 0.00 0.00 0.00 0.00 19.45 19.96 1wh0 n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wh0 n SER 101 N -1.81 1.99 -4.08 0.00 3.41 -1.26 -4.87 113.62 106.99 1wh0 n SER 101 Ca 0.00 -2.48 -0.10 0.00 -0.26 0.00 0.00 58.87 56.03 1wh0 n SER 101 Cb 0.00 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.81 1.25 -0.04 4.33 1.70 -1.20 -2.32 118.95 120.86 1wh0 s ARG 102 Ca 0.15 -1.39 0.03 0.00 -0.47 0.00 0.00 55.73 54.06 1wh0 s ARG 102 Cb 0.13 0.35 -0.03 0.00 -0.57 0.00 0.00 34.95 34.83 1wh0 s ARG 102 CO 0.01 -0.45 -0.11 0.42 -1.08 0.00 0.00 175.30 174.09 1wh0 s ILE 103 N -4.06 3.31 -0.17 4.99 1.01 -0.28 0.16 121.20 126.17 1wh0 s ILE 103 Ca 0.27 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 60.21 1wh0 s ILE 103 Cb 0.04 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 1wh0 s ILE 103 CO 0.07 0.55 -0.08 -0.62 0.00 0.00 0.00 174.94 174.86 1wh0 s ASP 104 N -0.89 4.23 -0.20 3.58 -1.08 -0.08 -1.46 116.67 120.77 1wh0 s ASP 104 Ca 0.13 -0.33 -0.01 0.00 -0.52 0.00 0.00 52.55 51.82 1wh0 s ASP 104 Cb -0.11 -1.68 0.06 0.00 -1.46 0.00 0.00 42.92 39.73 1wh0 s ASP 104 CO 0.02 0.09 -0.00 -0.63 0.52 0.00 0.00 175.17 175.17 1wh0 s ILE 105 N 0.80 0.91 -0.24 4.11 1.01 -1.06 -1.32 121.20 125.41 1wh0 s ILE 105 Ca -0.03 -0.76 -0.22 0.00 0.00 0.00 0.00 60.65 59.63 1wh0 s ILE 105 Cb -0.15 -1.29 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 1wh0 s ILE 105 CO 0.01 -0.13 0.73 0.00 0.00 0.00 0.00 174.94 175.55 1wh0 s LEU 107 N 2.63 3.40 -0.58 0.00 1.43 0.85 -1.56 118.68 124.85 1wh0 s LEU 107 Ca 0.31 -0.78 -0.20 0.00 -1.03 0.00 0.00 54.13 52.43 1wh0 s LEU 107 Cb -0.15 -1.75 0.08 0.00 0.03 0.00 0.00 46.19 44.40 1wh0 s LEU 107 CO 0.08 -0.14 0.75 -0.60 0.23 0.00 0.00 176.35 176.67 1wh0 s ARG 108 N 1.40 3.10 0.52 1.70 6.06 -1.26 -1.16 118.95 129.31 1wh0 s ARG 108 Ca 0.01 -1.03 -0.19 0.00 -2.50 0.00 0.00 55.73 52.03 1wh0 s ARG 108 Cb -0.17 -4.20 -0.07 0.00 0.06 0.00 0.00 34.95 30.58 1wh0 s ARG 108 CO -0.02 -1.50 1.05 0.15 -2.50 0.00 0.00 175.30 172.48 1wh0 s LYS 109 N 3.03 3.63 0.00 5.12 1.02 0.15 -0.30 119.74 132.39 1wh0 s LYS 109 Ca 0.16 1.33 0.27 0.00 0.02 0.00 0.00 55.97 57.75 1wh0 s LYS 109 Cb -0.20 -2.07 1.41 0.00 -0.52 0.00 0.00 37.83 36.44 1wh0 s LYS 109 CO 0.10 -0.57 1.92 0.54 -0.92 0.00 0.00 175.35 176.42 1wh0 n ARG 110 N -1.30 0.48 -3.89 1.68 1.74 -1.24 -4.73 116.66 109.41 1wh0 n ARG 110 Ca 0.09 0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 57.02 1wh0 n ARG 110 Cb 0.52 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 1wh0 n ARG 110 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wh0 n GLN 111 N -1.22 0.46 -1.22 5.56 6.02 -1.26 -5.07 117.38 120.64 1wh0 n GLN 111 Ca 0.14 -2.77 -0.02 0.00 -0.01 0.00 0.00 57.00 54.34 1wh0 n GLN 111 Cb 0.19 1.96 0.13 0.00 1.02 0.00 0.00 30.24 33.53 1wh0 n GLN 111 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1wh0 n SER 112 N -1.80 2.37 -3.93 1.08 3.41 -1.26 -4.33 113.62 109.15 1wh0 n SER 112 Ca 0.02 -3.46 -0.29 0.00 -0.26 0.00 0.00 58.87 54.88 1wh0 n SER 112 Cb 0.50 -0.45 -0.16 0.00 -0.26 0.00 0.00 64.21 63.84 1wh0 n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wh0 s GLN 113 N -2.88 1.71 0.27 4.33 -2.07 -1.26 -4.97 119.66 114.80 1wh0 s GLN 113 Ca 0.40 -0.52 -0.30 0.00 -1.82 0.00 0.00 55.36 53.11 1wh0 s GLN 113 Cb 0.38 -2.00 -0.13 0.00 -1.09 0.00 0.00 33.01 30.17 1wh0 s GLN 113 CO -0.06 -0.36 1.42 -2.13 -1.32 0.00 0.00 175.29 172.84 1wh0 n ARG 114 N 4.84 2.18 0.14 9.60 0.63 -1.26 -4.89 116.66 127.89 1wh0 n ARG 114 Ca -0.13 0.77 0.01 0.00 -0.92 0.00 0.00 57.85 57.58 1wh0 n ARG 114 Cb 0.48 -2.44 0.09 0.00 0.45 0.00 0.00 32.46 31.04 1wh0 n ARG 114 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1wh0 h TRP 115 N 3.97 0.00 -0.06 -0.14 6.55 -2.00 -3.47 115.95 120.80 1wh0 h TRP 115 Ca -0.46 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.38 1wh0 h TRP 115 Cb 1.27 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.57 1wh0 h TRP 115 CO 0.56 0.58 0.00 0.41 -1.05 0.00 0.00 178.44 178.93 1wh0 n GLY 116 N 0.93 1.47 0.00 1.49 0.00 -1.26 -5.02 105.19 102.80 1wh0 n GLY 116 Ca 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.76 0.89 0.26 -0.02 0.00 -1.26 -5.01 105.19 99.29 1wh0 n GLY 117 Ca 0.00 0.22 0.02 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.36 -4.81 0.99 7.94 -1.26 -4.14 117.00 115.35 1wh0 n LEU 118 Ca 0.00 1.23 -0.38 0.00 -1.11 0.00 0.00 56.01 55.74 1wh0 n LEU 118 Cb 0.00 -0.32 -0.06 0.00 0.53 0.00 0.00 43.42 43.57 1wh0 n LEU 118 CO 0.00 -1.14 0.31 -1.61 -1.11 0.00 0.00 177.39 173.85 1wh0 s GLU 119 N -5.77 4.25 0.32 1.96 2.02 -1.26 -4.15 118.70 116.07 1wh0 s GLU 119 Ca -0.10 0.80 -0.21 0.00 0.02 0.00 0.00 54.97 55.48 1wh0 s GLU 119 Cb 0.17 -3.18 -0.10 0.00 0.10 0.00 0.00 34.13 31.12 1wh0 s GLU 119 CO 0.53 0.59 0.85 0.00 0.02 0.00 0.00 175.26 177.25 1wh0 s ALA 120 N -1.18 3.25 1.08 5.21 0.00 -0.43 -4.89 121.76 124.79 1wh0 s ALA 120 Ca 0.32 0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.52 1wh0 s ALA 120 Cb -0.19 -3.00 0.09 0.00 0.00 0.00 0.00 23.12 20.02 1wh0 s ALA 120 CO 0.20 0.24 0.33 -0.35 0.00 0.00 0.00 175.76 176.18 1wh0 n PRO 121 N 0.15 -1.66 -3.67 0.00 -0.04 -1.26 -4.97 135.00 123.55 1wh0 n PRO 121 Ca 0.02 -0.52 -0.16 0.00 -0.04 0.00 0.00 63.50 62.81 1wh0 n PRO 121 Cb 0.52 -0.49 -0.15 0.00 -0.04 0.00 0.00 33.50 33.34 1wh0 n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wh0 s ALA 122 N -2.99 -0.28 0.30 0.55 0.00 -1.26 -5.16 121.76 112.92 1wh0 s ALA 122 Ca 0.21 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.86 1wh0 s ALA 122 Cb -0.02 -0.85 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 1wh0 s ALA 122 CO 0.16 -0.56 0.02 0.00 0.00 0.00 0.00 175.76 175.39 1wh0 n ALA 123 N 5.25 0.29 0.27 0.00 0.00 -1.26 -5.02 120.51 120.04 1wh0 n ALA 123 Ca -0.07 -1.38 -0.06 0.00 0.00 0.00 0.00 53.44 51.93 1wh0 n ALA 123 Cb 0.50 0.80 0.07 0.00 0.00 0.00 0.00 19.45 20.82 1wh0 n ALA 123 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1wh0 n ARG 124 N -0.73 1.56 -3.65 0.00 1.85 -1.26 -4.84 116.66 109.60 1wh0 n ARG 124 Ca -0.10 -1.01 -0.37 0.00 -1.00 0.00 0.00 57.85 55.36 1wh0 n ARG 124 Cb 0.39 -1.45 -0.11 0.00 -1.05 0.00 0.00 32.46 30.24 1wh0 n ARG 124 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1wh0 s VAL 125 N -1.18 5.16 -4.01 8.89 1.01 -1.26 -4.97 120.40 124.05 1wh0 s VAL 125 Ca 0.19 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1wh0 s VAL 125 Cb 0.16 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1wh0 s VAL 125 CO 0.04 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1wh0 n GLY 126 N 4.74 -0.16 0.00 4.51 0.00 -1.26 -5.17 105.19 107.84 1wh0 n GLY 126 Ca -0.15 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.20 3.29 -0.02 0.00 -1.26 -5.18 105.19 99.82 1wh0 n GLY 127 Ca 0.00 -1.20 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 1wh0 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 s ALA 128 N -1.95 1.60 0.00 4.61 0.00 -1.26 -5.17 121.76 119.59 1wh0 s ALA 128 Ca 0.00 -1.74 -0.19 0.00 0.00 0.00 0.00 51.96 50.03 1wh0 s ALA 128 Cb 0.00 0.74 0.04 0.00 0.00 0.00 0.00 23.12 23.89 1wh0 s ALA 128 CO 0.00 -0.36 0.41 -1.54 0.00 0.00 0.00 175.76 174.26 1wh0 s SER 129 N -3.26 -0.30 -0.36 0.00 1.04 -1.26 -5.12 113.70 104.45 1wh0 s SER 129 Ca 0.30 0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.84 1wh0 s SER 129 Cb 0.07 0.39 0.22 0.00 0.10 0.00 0.00 66.02 66.80 1wh0 s SER 129 CO 0.09 -0.55 1.08 0.61 0.98 0.00 0.00 173.24 175.44 1wh0 n GLY 130 N 0.92 -1.56 0.08 7.32 0.00 -1.26 -5.05 105.19 105.65 1wh0 n GLY 130 Ca -0.20 1.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.84 1wh0 n GLY 130 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 h PRO 131 N 4.13 0.12 -7.04 1.61 0.13 -2.09 -3.44 132.00 125.41 1wh0 h PRO 131 Ca -0.03 -0.06 -0.52 0.00 -0.87 0.00 0.00 66.00 64.51 1wh0 h PRO 131 Cb 1.16 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.39 1wh0 h PRO 131 CO -0.10 0.57 0.51 0.45 -0.23 0.00 0.00 178.00 179.20 1wh0 s SER 132 N -5.84 5.71 -0.27 1.44 0.15 -1.26 -5.03 113.70 108.61 1wh0 s SER 132 Ca -0.15 2.43 -0.26 0.00 0.70 0.00 0.00 55.95 58.66 1wh0 s SER 132 Cb 0.03 -2.61 0.16 0.00 -1.71 0.00 0.00 66.02 61.89 1wh0 s SER 132 CO 0.70 -1.24 1.23 -0.94 1.20 0.00 0.00 173.24 174.19 1wh0 s SER 133 N -1.33 -0.23 0.00 5.45 1.04 -1.26 -5.24 113.70 112.13 1wh0 s SER 133 Ca 0.69 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.50 1wh0 s SER 133 Cb -0.32 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1wh0 s SER 133 CO 0.37 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.09