#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 1.95 -4.55 1.61 7.64 -1.26 -4.84 113.62 114.17 1wh0 n SER 2 Ca 0.00 0.34 -0.30 0.00 1.01 0.00 0.00 58.87 59.92 1wh0 n SER 2 Cb 0.00 -0.81 -0.04 0.00 -1.01 0.00 0.00 64.21 62.34 1wh0 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh0 s SER 3 N -7.30 4.49 -0.13 6.43 0.15 -1.26 -4.85 113.70 111.23 1wh0 s SER 3 Ca -0.37 0.57 -0.30 0.00 0.70 0.00 0.00 55.95 56.54 1wh0 s SER 3 Cb 0.13 -2.52 0.12 0.00 -1.71 0.00 0.00 66.02 62.04 1wh0 s SER 3 CO 0.48 -3.04 0.93 -0.83 1.20 0.00 0.00 173.24 171.99 1wh0 s GLY 4 N 10.88 -0.34 -0.31 9.45 0.00 -1.26 -5.14 107.32 120.61 1wh0 s GLY 4 Ca 0.89 1.83 -0.01 0.00 0.00 0.00 0.00 44.72 47.44 1wh0 s GLY 4 CO 0.19 0.97 0.01 -1.35 0.00 0.00 0.00 173.10 172.91 1wh0 s SER 5 N -1.22 4.85 -0.03 1.64 1.04 -1.26 -5.00 113.70 113.72 1wh0 s SER 5 Ca -0.03 -1.47 -0.09 0.00 0.48 0.00 0.00 55.95 54.84 1wh0 s SER 5 Cb -0.00 -1.69 -0.05 0.00 0.10 0.00 0.00 66.02 64.37 1wh0 s SER 5 CO 0.02 -0.30 0.50 0.28 0.98 0.00 0.00 173.24 174.73 1wh0 h SER 6 N 7.93 -0.27 0.00 7.02 0.02 -2.00 -3.49 113.55 122.76 1wh0 h SER 6 Ca -0.18 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1wh0 h SER 6 Cb 1.05 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1wh0 h SER 6 CO 0.54 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.85 1wh0 n GLY 7 N 0.64 0.22 3.61 -3.77 0.00 -1.26 -5.10 105.19 99.53 1wh0 n GLY 7 Ca -0.04 -0.51 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 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 1.85 -2.66 1.61 3.14 -1.26 -4.86 118.33 116.15 1wh0 n VAL 8 Ca 0.00 -0.46 -0.42 0.00 -2.96 0.00 0.00 64.34 60.50 1wh0 n VAL 8 Cb 0.00 -1.10 -0.03 0.00 -1.06 0.00 0.00 33.84 31.65 1wh0 n VAL 8 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1wh0 s ASP 9 N -0.43 6.42 0.12 6.55 1.01 -1.26 -4.97 116.67 124.12 1wh0 s ASP 9 Ca 0.60 -1.32 -0.22 0.00 0.71 0.00 0.00 52.55 52.32 1wh0 s ASP 9 Cb -0.69 -2.52 -0.13 0.00 1.01 0.00 0.00 42.92 40.59 1wh0 s ASP 9 CO 0.59 -1.48 0.44 -0.62 0.21 0.00 0.00 175.17 174.31 1wh0 n GLU 10 N 8.42 0.00 0.00 8.23 1.02 -1.26 -4.72 120.64 132.33 1wh0 n GLU 10 Ca 0.21 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.39 1wh0 n GLU 10 Cb 0.50 -0.79 0.21 0.00 -0.02 0.00 0.00 31.44 31.35 1wh0 n GLU 10 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1wh0 n PRO 11 N 0.79 0.49 -0.29 3.49 -0.04 -1.26 -4.06 135.00 134.11 1wh0 n PRO 11 Ca 0.13 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.69 1wh0 n PRO 11 Cb 0.16 -1.23 0.20 0.00 -0.04 0.00 0.00 33.50 32.59 1wh0 n PRO 11 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wh0 n GLU 12 N -0.73 -0.07 -0.07 0.54 0.28 -1.26 0.24 120.64 119.57 1wh0 n GLU 12 Ca 0.05 1.27 -0.07 0.00 -0.16 0.00 0.00 57.16 58.25 1wh0 n GLU 12 Cb 0.02 -1.97 0.10 0.00 1.43 0.00 0.00 31.44 31.03 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 0.73 -4.24 -1.84 0.87 -1.94 -3.44 113.55 103.69 1wh0 h SER 13 Ca 0.47 -0.27 -0.49 0.00 -1.23 0.00 0.00 61.79 60.27 1wh0 h SER 13 Cb 0.88 -0.20 0.04 0.00 -0.44 0.00 0.00 62.40 62.68 1wh0 h SER 13 CO -0.81 0.96 0.39 -0.04 -0.53 0.00 0.00 176.83 176.79 1wh0 s MET 14 N -4.55 3.71 -0.07 2.24 -1.94 0.65 -4.91 119.30 114.44 1wh0 s MET 14 Ca -0.09 0.95 -0.16 0.00 -1.71 0.00 0.00 55.69 54.68 1wh0 s MET 14 Cb 0.13 -2.10 -0.05 0.00 2.01 0.00 0.00 34.83 34.82 1wh0 s MET 14 CO 0.83 -0.47 0.43 0.08 -0.01 0.00 0.00 175.02 175.87 1wh0 s VAL 15 N -2.74 5.12 -0.23 -6.03 1.01 0.87 -4.91 120.40 113.49 1wh0 s VAL 15 Ca 0.59 0.86 -0.10 0.00 0.00 0.00 0.00 61.98 63.32 1wh0 s VAL 15 Cb -0.11 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 1wh0 s VAL 15 CO 0.39 0.44 0.15 0.20 0.00 0.00 0.00 175.10 176.28 1wh0 s ASN 16 N -0.14 6.11 0.36 3.32 -0.87 -1.26 0.34 114.94 122.80 1wh0 s ASN 16 Ca 0.24 0.13 -0.19 0.00 -1.57 0.00 0.00 52.86 51.47 1wh0 s ASN 16 Cb -0.16 -2.10 -0.10 0.00 -0.02 0.00 0.00 41.25 38.88 1wh0 s ASN 16 CO 0.11 0.09 0.84 -0.76 -2.57 0.00 0.00 177.10 174.82 1wh0 s LEU 17 N 0.89 4.06 -0.19 0.60 1.43 0.31 -4.87 118.68 120.91 1wh0 s LEU 17 Ca 0.07 1.51 0.06 0.00 -1.03 0.00 0.00 54.13 54.75 1wh0 s LEU 17 Cb -0.13 -4.23 -0.16 0.00 0.03 0.00 0.00 46.19 41.71 1wh0 s LEU 17 CO 0.03 -0.24 -0.09 0.00 0.23 0.00 0.00 176.35 176.28 1wh0 n ALA 18 N -0.31 1.58 -3.68 4.21 0.00 -1.26 -4.62 120.51 116.42 1wh0 n ALA 18 Ca 0.04 -0.95 -0.11 0.00 0.00 0.00 0.00 53.44 52.43 1wh0 n ALA 18 Cb 0.53 -0.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 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 -2.40 -0.58 -0.11 0.00 5.36 -1.26 -5.08 117.98 113.91 1wh0 s PHE 19 Ca -0.20 1.21 0.03 0.00 -0.96 0.00 0.00 56.93 57.01 1wh0 s PHE 19 Cb 0.06 0.19 0.01 0.00 -0.34 0.00 0.00 43.02 42.93 1wh0 s PHE 19 CO 0.54 -0.36 -0.20 0.08 -1.46 0.00 0.00 175.22 173.82 1wh0 s VAL 20 N 1.88 1.81 -0.33 3.12 1.01 -1.26 -5.07 120.40 121.56 1wh0 s VAL 20 Ca -0.05 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.80 1wh0 s VAL 20 Cb -0.10 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1wh0 s VAL 20 CO -0.11 0.50 2.21 -0.75 0.00 0.00 0.00 175.10 176.95 1wh0 s LYS 21 N 0.64 2.82 0.23 2.72 2.36 -1.26 -4.91 119.74 122.34 1wh0 s LYS 21 Ca -0.13 1.70 -0.14 0.00 -2.55 0.00 0.00 55.97 54.85 1wh0 s LYS 21 Cb -0.16 -4.42 0.00 0.00 -1.05 0.00 0.00 37.83 32.20 1wh0 s LYS 21 CO 0.03 -2.46 0.49 0.54 1.55 0.00 0.00 175.35 175.50 1wh0 s ASN 22 N 9.19 -0.12 -0.10 1.43 6.03 -1.26 -0.24 114.94 129.86 1wh0 s ASN 22 Ca 0.95 -0.82 -0.04 0.00 -1.03 0.00 0.00 52.86 51.93 1wh0 s ASN 22 Cb -0.26 0.58 0.05 0.00 -3.03 0.00 0.00 41.25 38.59 1wh0 s ASN 22 CO 0.31 -1.12 0.21 -0.62 -2.03 0.00 0.00 177.10 173.86 1wh0 s ASP 23 N -2.98 0.21 -0.09 3.54 2.15 0.13 -4.93 116.67 114.71 1wh0 s ASP 23 Ca 0.19 0.45 0.04 0.00 0.43 0.00 0.00 52.55 53.66 1wh0 s ASP 23 Cb -0.01 0.42 -0.01 0.00 -0.30 0.00 0.00 42.92 43.02 1wh0 s ASP 23 CO 0.06 -0.21 -0.23 -0.55 -0.17 0.00 0.00 175.17 174.07 1wh0 s SER 24 N 1.86 3.20 0.11 -0.34 0.15 -1.26 0.50 113.70 117.92 1wh0 s SER 24 Ca -0.03 -0.51 0.07 0.00 0.70 0.00 0.00 55.95 56.18 1wh0 s SER 24 Cb -0.12 -1.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.96 1wh0 s SER 24 CO -0.07 0.20 -0.11 -0.72 1.20 0.00 0.00 173.24 173.74 1wh0 s TYR 25 N 0.12 2.72 -0.60 3.44 -0.85 -0.62 -4.97 117.35 116.59 1wh0 s TYR 25 Ca -0.11 -0.17 -0.27 0.00 -0.52 0.00 0.00 57.07 56.00 1wh0 s TYR 25 Cb -0.16 -1.42 0.00 0.00 0.38 0.00 0.00 41.96 40.76 1wh0 s TYR 25 CO 0.06 0.43 1.58 -1.21 -1.52 0.00 0.00 175.55 174.89 1wh0 s GLU 26 N -2.21 3.03 0.16 -3.49 0.41 -1.26 -2.65 118.70 112.68 1wh0 s GLU 26 Ca 0.21 0.43 0.03 0.00 -0.41 0.00 0.00 54.97 55.23 1wh0 s GLU 26 Cb -0.11 -4.24 -0.03 0.00 -1.78 0.00 0.00 34.13 27.97 1wh0 s GLU 26 CO 0.13 -2.28 0.28 0.21 -0.49 0.00 0.00 175.26 173.12 1wh0 s LYS 27 N 6.14 3.41 0.27 1.61 2.20 -0.47 -4.98 119.74 127.91 1wh0 s LYS 27 Ca 0.56 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.54 1wh0 s LYS 27 Cb -0.12 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1wh0 s LYS 27 CO 0.22 0.51 0.00 0.41 -0.36 0.00 0.00 175.35 176.13 1wh0 n GLY 28 N -0.63 0.08 0.09 5.54 0.00 -1.26 -1.41 105.19 107.61 1wh0 n GLY 28 Ca -0.07 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1wh0 n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 h PRO 29 N 0.00 -0.11 0.00 1.61 0.13 -2.01 -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 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 1wh0 h PRO 29 CO 0.00 0.34 -0.09 -0.25 -0.23 0.00 0.00 178.00 177.77 1wh0 n ASP 30 N -4.92 1.90 -4.89 1.44 9.92 -1.26 -4.61 116.55 114.14 1wh0 n ASP 30 Ca -0.09 -2.84 -0.31 0.00 -0.53 0.00 0.00 54.79 51.02 1wh0 n ASP 30 Cb 0.25 -0.37 -0.05 0.00 -0.64 0.00 0.00 41.12 40.31 1wh0 n ASP 30 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1wh0 s SER 31 N -2.46 6.55 -0.25 -2.24 0.01 -0.50 -0.88 113.70 113.92 1wh0 s SER 31 Ca 0.25 0.75 -0.02 0.00 1.31 0.00 0.00 55.95 58.24 1wh0 s SER 31 Cb 0.22 -2.16 0.13 0.00 0.21 0.00 0.00 66.02 64.43 1wh0 s SER 31 CO 0.02 -0.03 0.35 -0.69 0.41 0.00 0.00 173.24 173.30 1wh0 s VAL 32 N -1.77 -0.53 0.09 3.43 1.01 -0.38 -1.37 120.40 120.88 1wh0 s VAL 32 Ca 0.44 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 62.06 1wh0 s VAL 32 Cb -0.12 -0.85 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 1wh0 s VAL 32 CO 0.23 -0.22 0.56 -0.69 0.00 0.00 0.00 175.10 174.98 1wh0 s VAL 33 N 2.48 4.78 -0.04 2.92 1.01 -1.09 -0.29 120.40 130.18 1wh0 s VAL 33 Ca 0.11 1.11 0.07 0.00 0.00 0.00 0.00 61.98 63.27 1wh0 s VAL 33 Cb -0.15 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1wh0 s VAL 33 CO -0.21 0.49 -0.25 -0.69 0.00 0.00 0.00 175.10 174.44 1wh0 s VAL 34 N -1.19 2.11 -0.33 2.92 1.01 -0.39 -1.58 120.40 122.94 1wh0 s VAL 34 Ca 0.31 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.24 1wh0 s VAL 34 Cb -0.18 -1.75 0.09 0.00 0.00 0.00 0.00 36.38 34.54 1wh0 s VAL 34 CO 0.19 0.58 0.04 -1.00 0.00 0.00 0.00 175.10 174.91 1wh0 s HIS 35 N -0.41 3.62 -0.18 5.22 3.76 0.18 -2.45 115.29 125.03 1wh0 s HIS 35 Ca 0.04 -2.72 -0.19 0.00 -0.15 0.00 0.00 55.06 52.04 1wh0 s HIS 35 Cb -0.12 -2.75 -0.03 0.00 1.11 0.00 0.00 32.58 30.79 1wh0 s HIS 35 CO 0.01 -0.93 0.52 0.08 -0.85 0.00 0.00 174.74 173.57 1wh0 s VAL 36 N 1.00 5.12 -0.53 -0.90 1.01 -0.74 0.21 120.40 125.57 1wh0 s VAL 36 Ca 0.06 0.97 -0.26 0.00 0.00 0.00 0.00 61.98 62.75 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 0.20 1.03 -0.31 0.00 0.00 0.00 175.10 175.96 1wh0 s TYR 37 N 1.44 2.78 -0.23 5.22 1.51 0.67 -1.23 117.35 127.50 1wh0 s TYR 37 Ca 0.25 0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 56.32 1wh0 s TYR 37 Cb -0.15 -4.21 0.16 0.00 -0.11 0.00 0.00 41.96 37.64 1wh0 s TYR 37 CO 0.10 -1.34 1.19 0.54 -1.11 0.00 0.00 175.55 174.93 1wh0 s VAL 38 N 4.24 0.00 0.38 0.71 0.11 -0.98 -4.74 120.40 120.12 1wh0 s VAL 38 Ca 0.38 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.47 1wh0 s VAL 38 Cb -0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 1wh0 s VAL 38 CO 0.25 0.00 0.13 -0.54 -3.33 0.00 0.00 175.10 171.60 1wh0 s LYS 39 N -0.86 1.83 -1.30 1.54 1.02 -1.26 -3.47 119.74 117.24 1wh0 s LYS 39 Ca 0.04 -2.09 -0.04 0.00 0.02 0.00 0.00 55.97 53.89 1wh0 s LYS 39 Cb -0.01 -0.54 -0.00 0.00 -0.52 0.00 0.00 37.83 36.75 1wh0 s LYS 39 CO -0.04 -0.44 0.64 0.39 -0.92 0.00 0.00 175.35 174.98 1wh0 n GLU 40 N -0.82 -3.68 -4.06 1.68 -0.58 -1.26 -3.68 120.64 108.23 1wh0 n GLU 40 Ca -0.04 0.54 -0.34 0.00 -0.42 0.00 0.00 57.16 56.90 1wh0 n GLU 40 Cb 0.65 -4.83 -0.07 0.00 -0.57 0.00 0.00 31.44 26.63 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 -3.71 4.90 -0.54 -3.67 1.01 -1.26 -0.38 121.20 117.55 1wh0 s ILE 41 Ca 0.10 -0.30 -0.19 0.00 0.00 0.00 0.00 60.65 60.27 1wh0 s ILE 41 Cb -0.03 -3.23 0.08 0.00 0.01 0.00 0.00 42.46 39.29 1wh0 s ILE 41 CO 0.84 0.39 0.65 0.00 0.00 0.00 0.00 174.94 176.82 1wh0 n ARG 43 N 6.22 0.04 0.07 0.00 1.74 -1.26 -0.36 116.66 123.11 1wh0 n ARG 43 Ca -0.08 0.40 -0.20 0.00 -0.77 0.00 0.00 57.85 57.20 1wh0 n ARG 43 Cb 0.44 -1.59 -0.15 0.00 -1.02 0.00 0.00 32.46 30.15 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 0.53 -0.46 0.55 3.32 -2.00 -3.35 116.42 115.02 1wh0 h ASP 44 Ca 0.00 -0.76 0.00 0.00 0.02 0.00 0.00 57.03 56.29 1wh0 h ASP 44 Cb 0.15 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1wh0 h ASP 44 CO 0.00 1.64 0.00 0.35 -1.72 0.00 0.00 179.24 179.51 1wh0 n THR 45 N -3.53 1.26 -4.01 0.35 -2.24 -0.84 -4.90 114.28 100.36 1wh0 n THR 45 Ca -0.21 -1.13 -0.34 0.00 -2.27 0.00 0.00 64.05 60.11 1wh0 n THR 45 Cb 1.06 0.36 -0.15 0.00 -2.10 0.00 0.00 70.33 69.51 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 -1.09 4.00 0.39 3.42 0.01 0.52 -4.32 113.70 116.62 1wh0 s SER 46 Ca 0.35 -0.83 0.04 0.00 1.31 0.00 0.00 55.95 56.82 1wh0 s SER 46 Cb 0.20 -1.61 -0.04 0.00 0.21 0.00 0.00 66.02 64.79 1wh0 s SER 46 CO 0.20 -0.09 0.08 0.00 0.41 0.00 0.00 173.24 173.84 1wh0 s ARG 47 N 1.30 1.86 -0.04 12.44 1.04 0.59 -4.76 118.95 131.38 1wh0 s ARG 47 Ca 0.01 -2.10 -0.01 0.00 -1.04 0.00 0.00 55.73 52.58 1wh0 s ARG 47 Cb -0.16 -0.89 0.03 0.00 -2.04 0.00 0.00 34.95 31.89 1wh0 s ARG 47 CO -0.07 -0.33 0.04 0.08 -0.04 0.00 0.00 175.30 174.98 1wh0 s VAL 48 N -3.17 0.03 -0.43 4.99 1.01 -1.26 -0.01 120.40 121.56 1wh0 s VAL 48 Ca 0.27 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.40 1wh0 s VAL 48 Cb 0.05 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.23 1wh0 s VAL 48 CO 0.14 0.19 0.34 -0.76 0.00 0.00 0.00 175.10 175.00 1wh0 s LEU 49 N 1.91 5.23 -0.49 3.92 1.43 0.12 -4.98 118.68 125.83 1wh0 s LEU 49 Ca 0.02 -1.00 -0.22 0.00 -1.03 0.00 0.00 54.13 51.90 1wh0 s LEU 49 Cb -0.12 -2.18 0.04 0.00 0.03 0.00 0.00 46.19 43.95 1wh0 s LEU 49 CO -0.03 -0.51 0.77 -0.36 0.23 0.00 0.00 176.35 176.44 1wh0 s PHE 50 N 1.71 2.96 0.79 0.29 0.08 -1.26 0.06 117.98 122.61 1wh0 s PHE 50 Ca 0.05 -0.08 -0.03 0.00 0.12 0.00 0.00 56.93 56.99 1wh0 s PHE 50 Cb -0.20 -3.69 0.16 0.00 -0.57 0.00 0.00 43.02 38.72 1wh0 s PHE 50 CO 0.09 -1.08 1.08 1.03 -0.10 0.00 0.00 175.22 176.25 1wh0 s ARG 51 N 3.24 1.33 0.00 0.44 1.81 0.62 -4.62 118.95 121.77 1wh0 s ARG 51 Ca 0.25 -1.12 -0.15 0.00 -1.72 0.00 0.00 55.73 52.99 1wh0 s ARG 51 Cb -0.14 -2.24 -0.34 0.00 -0.45 0.00 0.00 34.95 31.78 1wh0 s ARG 51 CO 0.19 -1.74 0.91 1.05 -0.68 0.00 0.00 175.30 175.02 1wh0 h GLU 52 N -0.80 0.49 -0.09 3.54 4.11 -1.97 -3.35 114.58 116.52 1wh0 h GLU 52 Ca -0.36 -0.84 0.00 0.00 0.07 0.00 0.00 59.36 58.23 1wh0 h GLU 52 Cb 1.25 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.82 1wh0 h GLU 52 CO 0.36 1.40 0.00 0.94 0.07 0.00 0.00 179.01 181.79 1wh0 n GLN 53 N -3.73 1.90 -3.33 1.06 7.27 -1.26 0.15 117.38 119.44 1wh0 n GLN 53 Ca -0.19 -2.60 -0.01 0.00 0.07 0.00 0.00 57.00 54.28 1wh0 n GLN 53 Cb 1.08 -1.58 0.01 0.00 2.41 0.00 0.00 30.24 32.16 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 -1.07 -1.16 -3.42 1.69 5.75 -1.26 -2.44 116.55 114.65 1wh0 n ASP 54 Ca 0.17 -1.51 0.01 0.00 -0.01 0.00 0.00 54.79 53.45 1wh0 n ASP 54 Cb 0.69 1.86 -0.03 0.00 -1.03 0.00 0.00 41.12 42.62 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 -2.80 -1.32 0.02 2.11 -0.71 -1.19 -0.28 117.98 113.82 1wh0 s PHE 55 Ca 0.19 1.88 -0.09 0.00 -1.04 0.00 0.00 56.93 57.88 1wh0 s PHE 55 Cb -0.02 0.64 -0.05 0.00 -1.21 0.00 0.00 43.02 42.39 1wh0 s PHE 55 CO 0.03 -0.68 0.32 0.99 -1.34 0.00 0.00 175.22 174.53 1wh0 s THR 56 N 2.84 5.22 -0.26 -4.49 2.01 0.11 -3.19 115.64 117.88 1wh0 s THR 56 Ca 0.04 0.33 0.01 0.00 0.31 0.00 0.00 61.69 62.38 1wh0 s THR 56 Cb -0.12 -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 0.00 174.62 173.89 1wh0 s LEU 57 N -1.67 2.77 -0.31 4.42 2.96 -0.45 0.16 118.68 126.56 1wh0 s LEU 57 Ca 0.28 -1.36 -0.10 0.00 -0.22 0.00 0.00 54.13 52.73 1wh0 s LEU 57 Cb -0.14 -1.18 -0.01 0.00 0.50 0.00 0.00 46.19 45.36 1wh0 s LEU 57 CO 0.15 -0.28 0.16 -0.63 -1.32 0.00 0.00 176.35 174.44 1wh0 s ILE 58 N 1.37 4.74 -0.17 6.68 1.09 0.99 -1.74 121.20 134.17 1wh0 s ILE 58 Ca -0.01 -0.31 -0.14 0.00 -1.10 0.00 0.00 60.65 59.08 1wh0 s ILE 58 Cb -0.19 -3.39 0.05 0.00 -1.06 0.00 0.00 42.46 37.87 1wh0 s ILE 58 CO -0.09 0.10 0.44 0.72 -0.10 0.00 0.00 174.94 176.01 1wh0 s PHE 59 N 1.64 -0.51 -0.42 3.97 -0.12 -1.02 0.22 117.98 121.75 1wh0 s PHE 59 Ca 0.05 1.21 -0.13 0.00 -0.05 0.00 0.00 56.93 58.01 1wh0 s PHE 59 Cb -0.17 0.19 0.05 0.00 -0.63 0.00 0.00 43.02 42.46 1wh0 s PHE 59 CO 0.07 -0.25 0.30 -0.65 -0.05 0.00 0.00 175.22 174.63 1wh0 s GLN 60 N 0.44 2.87 0.06 1.99 -0.21 -1.26 -3.46 119.66 120.10 1wh0 s GLN 60 Ca -0.02 -1.20 -0.04 0.00 0.02 0.00 0.00 55.36 54.12 1wh0 s GLN 60 Cb -0.04 -3.93 -0.05 0.00 1.00 0.00 0.00 33.01 30.00 1wh0 s GLN 60 CO -0.02 -0.85 0.28 -0.08 -2.12 0.00 0.00 175.29 172.50 1wh0 s THR 61 N 1.59 5.29 -0.09 -0.19 -1.32 -1.26 -2.39 115.64 117.27 1wh0 s THR 61 Ca 0.04 -0.06 0.13 0.00 -1.21 0.00 0.00 61.69 60.58 1wh0 s THR 61 Cb -0.21 -3.60 0.22 0.00 -1.51 0.00 0.00 72.50 67.39 1wh0 s THR 61 CO 0.07 0.19 1.11 -2.11 -2.21 0.00 0.00 174.62 171.67 1wh0 n ARG 62 N 0.53 0.87 -2.84 7.08 1.85 0.49 -4.15 116.66 120.49 1wh0 n ARG 62 Ca -0.07 -2.14 -0.43 0.00 -1.00 0.00 0.00 57.85 54.22 1wh0 n ARG 62 Cb 0.52 -1.15 -0.04 0.00 -1.05 0.00 0.00 32.46 30.73 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 -2.31 6.52 0.56 2.89 2.15 -1.24 -4.90 116.67 120.34 1wh0 s ASP 63 Ca 0.23 0.17 0.40 0.00 0.43 0.00 0.00 52.55 53.78 1wh0 s ASP 63 Cb 0.21 -2.44 1.53 0.00 -0.30 0.00 0.00 42.92 41.91 1wh0 s ASP 63 CO 0.01 -0.99 1.65 1.23 -0.17 0.00 0.00 175.17 176.89 1wh0 h GLY 64 N 10.40 0.00 1.36 2.66 0.00 -1.95 1.08 103.07 116.62 1wh0 h GLY 64 Ca -0.24 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 1wh0 h GLY 64 CO 1.01 0.00 -0.24 3.43 0.00 0.00 0.00 176.54 180.74 1wh0 h ASN 65 N 0.00 0.75 0.31 0.19 2.35 -1.98 0.34 115.58 117.54 1wh0 h ASN 65 Ca 0.68 -0.27 -0.33 0.00 -0.55 0.00 0.00 56.30 55.82 1wh0 h ASN 65 Cb 2.88 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 41.02 1wh0 h ASN 65 CO -0.01 0.96 -1.79 0.15 -1.65 0.00 0.00 177.43 175.09 1wh0 h PHE 66 N 0.64 0.36 0.17 1.19 3.04 0.64 -3.37 116.94 119.61 1wh0 h PHE 66 Ca 0.09 -0.26 -0.01 0.00 3.98 0.00 0.00 57.97 61.77 1wh0 h PHE 66 Cb 0.74 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.24 1wh0 h PHE 66 CO 0.04 1.47 -0.08 -0.07 -2.02 0.00 0.00 178.31 177.64 1wh0 h LEU 67 N 0.05 -0.19 -1.67 0.59 3.38 -0.60 -2.93 115.31 113.94 1wh0 h LEU 67 Ca -0.34 -0.28 0.32 0.00 0.09 0.00 0.00 57.88 57.68 1wh0 h LEU 67 Cb 2.03 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 42.78 1wh0 h LEU 67 CO 0.11 0.20 1.00 0.08 0.09 0.00 0.00 178.44 179.91 1wh0 h ARG 68 N -0.62 0.00 -0.27 1.13 0.11 -1.11 1.11 114.38 114.73 1wh0 h ARG 68 Ca -0.02 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.90 1wh0 h ARG 68 Cb 0.46 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.53 1wh0 h ARG 68 CO 0.04 0.00 -0.47 -0.07 0.10 0.00 0.00 179.97 179.56 1wh0 h LEU 69 N 0.00 0.77 -7.82 0.08 3.38 -1.67 -3.38 115.31 106.67 1wh0 h LEU 69 Ca 0.53 -0.38 -0.73 0.00 0.09 0.00 0.00 57.88 57.39 1wh0 h LEU 69 Cb 2.52 -0.22 -0.30 0.00 0.09 0.00 0.00 40.66 42.74 1wh0 h LEU 69 CO -0.01 1.12 -0.30 -1.00 0.09 0.00 0.00 178.44 178.35 1wh0 s HIS 70 N -4.18 3.49 0.38 1.13 3.76 0.38 -5.07 115.29 115.18 1wh0 s HIS 70 Ca -0.09 -2.14 -0.26 0.00 -0.15 0.00 0.00 55.06 52.42 1wh0 s HIS 70 Cb 0.11 -3.47 -0.09 0.00 1.11 0.00 0.00 32.58 30.24 1wh0 s HIS 70 CO 0.86 -0.95 1.20 -1.25 -0.85 0.00 0.00 174.74 173.74 1wh0 s PRO 71 N 0.75 4.15 0.00 8.40 0.04 -1.26 -3.21 135.00 143.87 1wh0 s PRO 71 Ca 0.11 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1wh0 s PRO 71 Cb -0.22 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1wh0 s PRO 71 CO -0.03 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1wh0 n GLY 72 N 0.72 2.71 3.96 0.56 0.00 -1.26 -4.93 105.19 106.95 1wh0 n GLY 72 Ca 0.03 0.00 -0.23 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 -1.95 3.15 0.16 0.00 0.00 -1.26 -5.01 105.19 100.28 1wh0 n GLY 74 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 0.02 -0.47 1.61 0.13 -1.92 -2.65 132.00 128.72 1wh0 h PRO 75 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 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 0.50 0.00 -2.39 -0.23 0.00 0.00 178.00 175.88 1wh0 n HIS 76 N -3.96 0.66 -3.39 1.56 1.44 -1.26 -4.54 115.22 105.72 1wh0 n HIS 76 Ca -0.02 -0.31 -0.39 0.00 -2.01 0.00 0.00 57.72 54.99 1wh0 n HIS 76 Cb 0.50 -0.03 -0.09 0.00 0.12 0.00 0.00 29.99 30.49 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 -1.47 5.17 0.04 0.61 2.01 -1.00 -5.05 115.64 115.96 1wh0 s THR 77 Ca 0.30 0.56 -0.30 0.00 0.31 0.00 0.00 61.69 62.56 1wh0 s THR 77 Cb 0.16 -3.70 -0.06 0.00 0.01 0.00 0.00 72.50 68.92 1wh0 s THR 77 CO 0.19 0.15 1.28 -0.89 -0.69 0.00 0.00 174.62 174.67 1wh0 s THR 78 N 2.07 3.84 -0.22 -0.82 2.01 -1.26 -4.64 115.64 116.63 1wh0 s THR 78 Ca 0.15 1.29 -0.05 0.00 0.31 0.00 0.00 61.69 63.39 1wh0 s THR 78 Cb -0.16 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 1wh0 s THR 78 CO 0.10 0.06 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.71 1wh0 s PHE 79 N 1.56 2.99 -0.26 4.92 0.08 -1.22 -0.09 117.98 125.96 1wh0 s PHE 79 Ca 0.61 -0.71 -0.03 0.00 0.12 0.00 0.00 56.93 56.91 1wh0 s PHE 79 Cb -0.31 -2.11 0.01 0.00 -0.57 0.00 0.00 43.02 40.05 1wh0 s PHE 79 CO 0.28 -0.42 -0.02 0.50 -0.10 0.00 0.00 175.22 175.46 1wh0 s ARG 80 N 1.32 3.01 -0.46 0.44 3.52 0.15 -2.43 118.95 124.50 1wh0 s ARG 80 Ca 0.04 -0.88 -0.10 0.00 -0.13 0.00 0.00 55.73 54.67 1wh0 s ARG 80 Cb -0.14 -3.10 0.11 0.00 -1.56 0.00 0.00 34.95 30.26 1wh0 s ARG 80 CO -0.00 -0.37 0.34 -0.46 -0.81 0.00 0.00 175.30 173.99 1wh0 s TRP 81 N 1.40 3.40 -0.23 5.12 -0.00 -0.71 -0.53 118.94 127.39 1wh0 s TRP 81 Ca 0.02 -1.77 -0.11 0.00 -0.00 0.00 0.00 56.10 54.23 1wh0 s TRP 81 Cb -0.16 -3.41 -0.05 0.00 -0.00 0.00 0.00 33.47 29.85 1wh0 s TRP 81 CO -0.02 -0.97 0.20 -1.14 -0.00 0.00 0.00 176.95 175.02 1wh0 s GLN 82 N 1.39 4.11 -0.03 5.86 0.74 -1.26 -1.34 119.66 129.12 1wh0 s GLN 82 Ca 0.05 -0.18 0.06 0.00 0.05 0.00 0.00 55.36 55.34 1wh0 s GLN 82 Cb -0.26 -3.52 -0.02 0.00 1.10 0.00 0.00 33.01 30.31 1wh0 s GLN 82 CO 0.00 0.08 -0.21 0.08 -0.55 0.00 0.00 175.29 174.69 1wh0 s VAL 83 N 0.99 2.51 -0.33 1.34 1.01 -1.19 -5.03 120.40 119.70 1wh0 s VAL 83 Ca 0.10 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 1wh0 s VAL 83 Cb -0.13 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 1wh0 s VAL 83 CO 0.04 0.58 0.21 -0.75 0.00 0.00 0.00 175.10 175.18 1wh0 s LYS 84 N -0.66 3.45 -0.25 2.72 2.20 -1.26 -3.14 119.74 122.80 1wh0 s LYS 84 Ca 0.10 -0.66 -0.17 0.00 -0.36 0.00 0.00 55.97 54.88 1wh0 s LYS 84 Cb -0.10 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1wh0 s LYS 84 CO -0.00 -0.43 0.48 -0.51 -0.36 0.00 0.00 175.35 174.53 1wh0 s LEU 85 N 1.68 4.06 0.12 5.43 1.43 -1.02 -0.34 118.68 130.05 1wh0 s LEU 85 Ca 0.06 0.49 -0.33 0.00 -1.03 0.00 0.00 54.13 53.31 1wh0 s LEU 85 Cb -0.17 -2.61 -0.11 0.00 0.03 0.00 0.00 46.19 43.33 1wh0 s LEU 85 CO 0.09 -0.24 1.56 0.03 0.23 0.00 0.00 176.35 178.02 1wh0 h ARG 86 N 7.96 -0.51 -6.95 1.70 2.47 -1.82 -3.43 114.38 113.81 1wh0 h ARG 86 Ca -0.30 0.03 -0.45 0.00 -1.26 0.00 0.00 59.98 58.00 1wh0 h ARG 86 Cb 1.15 0.12 0.05 0.00 -1.65 0.00 0.00 29.97 29.64 1wh0 h ARG 86 CO 0.70 -0.34 0.03 1.21 0.56 0.00 0.00 179.97 182.14 1wh0 s ASN 87 N -4.90 5.25 0.62 7.04 3.84 -1.26 -5.08 114.94 120.44 1wh0 s ASN 87 Ca -0.15 0.17 -0.12 0.00 0.21 0.00 0.00 52.86 52.97 1wh0 s ASN 87 Cb 0.08 -1.05 -0.03 0.00 -0.55 0.00 0.00 41.25 39.70 1wh0 s ASN 87 CO 0.62 -1.20 1.03 -0.76 -2.79 0.00 0.00 177.10 174.01 1wh0 s LEU 88 N -4.87 3.29 0.00 3.21 1.43 -1.26 -4.81 118.68 115.67 1wh0 s LEU 88 Ca 0.57 1.54 0.05 0.00 -1.03 0.00 0.00 54.13 55.25 1wh0 s LEU 88 Cb -0.10 -4.49 -0.02 0.00 0.03 0.00 0.00 46.19 41.61 1wh0 s LEU 88 CO 0.40 -1.01 0.18 2.30 0.23 0.00 0.00 176.35 178.45 1wh0 n ILE 89 N -2.60 0.00 -3.91 -0.59 -5.35 0.12 -3.65 119.36 103.39 1wh0 n ILE 89 Ca 0.07 -1.86 -0.30 0.00 -0.27 0.00 0.00 62.75 60.39 1wh0 n ILE 89 Cb 0.54 0.84 -0.14 0.00 -1.74 0.00 0.00 39.64 39.14 1wh0 n ILE 89 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1wh0 s GLU 90 N -3.10 1.77 0.44 6.28 2.02 0.73 -4.74 118.70 122.10 1wh0 s GLU 90 Ca 0.25 -2.40 0.23 0.00 0.02 0.00 0.00 54.97 53.07 1wh0 s GLU 90 Cb 0.01 -3.10 0.97 0.00 0.10 0.00 0.00 34.13 32.11 1wh0 s GLU 90 CO 0.18 -1.10 1.86 -1.00 0.02 0.00 0.00 175.26 175.22 1wh0 h PRO 91 N 6.69 0.00 0.00 0.39 0.13 -1.82 -2.76 132.00 134.63 1wh0 h PRO 91 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1wh0 h PRO 91 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1wh0 h PRO 91 CO 0.63 0.25 0.00 0.39 -0.23 0.00 0.00 178.00 179.04 1wh0 n GLU 92 N -3.53 0.11 -0.00 0.86 1.02 -1.26 -1.73 120.64 116.09 1wh0 n GLU 92 Ca -0.01 0.59 0.01 0.00 -0.02 0.00 0.00 57.16 57.74 1wh0 n GLU 92 Cb 0.40 -1.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 1wh0 n GLU 92 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1wh0 n GLN 93 N -2.07 0.93 -1.21 3.49 6.02 -1.07 -5.05 117.38 118.43 1wh0 n GLN 93 Ca -0.01 -0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.60 1wh0 n GLN 93 Cb 0.03 -1.08 0.07 0.00 1.02 0.00 0.00 30.24 30.29 1wh0 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wh0 s THR 95 N -1.97 0.06 -0.08 0.00 -4.23 -0.86 -5.00 115.64 103.57 1wh0 s THR 95 Ca 0.64 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 1wh0 s THR 95 Cb -0.33 -0.23 0.02 0.00 1.34 0.00 0.00 72.50 73.30 1wh0 s THR 95 CO 0.59 -0.28 -0.05 0.72 -0.54 0.00 0.00 174.62 175.06 1wh0 s PHE 96 N -0.87 1.03 -0.15 3.99 -0.12 -1.26 -1.35 117.98 119.24 1wh0 s PHE 96 Ca -0.10 -0.39 -0.08 0.00 -0.05 0.00 0.00 56.93 56.31 1wh0 s PHE 96 Cb -0.06 -0.92 0.06 0.00 -0.63 0.00 0.00 43.02 41.47 1wh0 s PHE 96 CO -0.00 -0.34 0.37 0.00 -0.05 0.00 0.00 175.22 175.20 1wh0 s PHE 98 N 1.49 2.86 0.10 0.00 0.40 -1.26 -0.76 117.98 120.81 1wh0 s PHE 98 Ca -0.09 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.77 1wh0 s PHE 98 Cb -0.09 -3.07 -0.00 0.00 0.51 0.00 0.00 43.02 40.36 1wh0 s PHE 98 CO -0.12 -1.31 0.01 0.25 0.70 0.00 0.00 175.22 174.76 1wh0 n THR 99 N -2.09 0.00 0.00 0.64 -2.24 0.46 -4.78 114.28 106.27 1wh0 n THR 99 Ca 0.09 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1wh0 n THR 99 Cb 0.52 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.63 0.00 -0.65 6.98 0.00 -1.26 -3.75 120.51 119.20 1wh0 n ALA 100 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.44 1wh0 n ALA 100 Cb 0.14 0.33 0.06 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.68 1.93 -4.02 0.00 3.41 -1.26 -4.89 113.62 107.11 1wh0 n SER 101 Ca 0.00 -2.44 -0.09 0.00 -0.26 0.00 0.00 58.87 56.08 1wh0 n SER 101 Cb 0.00 -0.21 -0.08 0.00 -0.26 0.00 0.00 64.21 63.66 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 -1.74 1.01 -0.10 4.33 1.70 -1.23 -2.31 118.95 120.62 1wh0 s ARG 102 Ca 0.14 -1.25 -0.01 0.00 -0.47 0.00 0.00 55.73 54.15 1wh0 s ARG 102 Cb 0.13 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.79 1wh0 s ARG 102 CO 0.01 -0.33 -0.04 0.42 -1.08 0.00 0.00 175.30 174.28 1wh0 s ILE 103 N -3.98 3.93 -0.21 4.99 1.01 -0.36 0.17 121.20 126.75 1wh0 s ILE 103 Ca 0.18 -0.38 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 1wh0 s ILE 103 Cb 0.05 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1wh0 s ILE 103 CO -0.01 0.57 0.02 -0.62 0.00 0.00 0.00 174.94 174.90 1wh0 s ASP 104 N -0.46 5.00 -0.19 3.58 2.15 0.06 -1.80 116.67 125.00 1wh0 s ASP 104 Ca 0.07 -0.16 -0.02 0.00 0.43 0.00 0.00 52.55 52.87 1wh0 s ASP 104 Cb -0.12 -1.86 0.06 0.00 -0.30 0.00 0.00 42.92 40.69 1wh0 s ASP 104 CO 0.02 0.06 0.00 -0.63 -0.17 0.00 0.00 175.17 174.45 1wh0 s ILE 105 N 1.02 0.81 -0.39 4.11 1.01 -1.03 -1.27 121.20 125.47 1wh0 s ILE 105 Ca 0.02 -0.67 -0.21 0.00 0.00 0.00 0.00 60.65 59.80 1wh0 s ILE 105 Cb -0.14 -1.20 0.01 0.00 0.01 0.00 0.00 42.46 41.14 1wh0 s ILE 105 CO 0.02 -0.11 0.65 0.00 0.00 0.00 0.00 174.94 175.51 1wh0 s LEU 107 N 2.80 3.91 -0.16 0.00 1.43 0.61 -2.02 118.68 125.25 1wh0 s LEU 107 Ca 0.24 0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 53.37 1wh0 s LEU 107 Cb -0.14 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1wh0 s LEU 107 CO 0.17 0.16 0.11 -0.60 0.23 0.00 0.00 176.35 176.43 1wh0 s ARG 108 N 0.45 3.80 0.20 1.70 6.06 -1.26 -1.25 118.95 128.64 1wh0 s ARG 108 Ca 0.05 -0.22 0.04 0.00 -2.50 0.00 0.00 55.73 53.10 1wh0 s ARG 108 Cb -0.12 -3.26 -0.03 0.00 0.06 0.00 0.00 34.95 31.59 1wh0 s ARG 108 CO 0.00 0.50 0.28 0.15 -2.50 0.00 0.00 175.30 173.74 1wh0 s LYS 109 N -0.24 3.30 0.12 5.12 1.02 -0.06 -0.19 119.74 128.80 1wh0 s LYS 109 Ca 0.10 -0.76 -0.13 0.00 0.02 0.00 0.00 55.97 55.20 1wh0 s LYS 109 Cb -0.12 -2.84 -0.09 0.00 -0.52 0.00 0.00 37.83 34.26 1wh0 s LYS 109 CO 0.01 0.46 1.40 0.00 -0.92 0.00 0.00 175.35 176.30 1wh0 h ARG 110 N 1.68 0.84 -4.84 1.68 3.08 -1.86 -3.43 114.38 111.53 1wh0 h ARG 110 Ca -0.50 -0.52 -0.31 0.00 0.07 0.00 0.00 59.98 58.72 1wh0 h ARG 110 Cb 1.22 0.06 -0.15 0.00 0.08 0.00 0.00 29.97 31.18 1wh0 h ARG 110 CO 0.64 1.16 -0.65 -0.65 -1.07 0.00 0.00 179.97 179.40 1wh0 s GLN 111 N -4.15 1.23 -0.55 0.04 -0.21 -1.26 -5.04 119.66 109.71 1wh0 s GLN 111 Ca -0.11 -1.62 -0.06 0.00 0.02 0.00 0.00 55.36 53.59 1wh0 s GLN 111 Cb 0.10 -0.28 -0.08 0.00 1.00 0.00 0.00 33.01 33.75 1wh0 s GLN 111 CO 0.88 -0.19 3.09 0.45 -2.12 0.00 0.00 175.29 177.40 1wh0 n SER 112 N -0.33 6.51 -3.91 5.90 2.88 -1.26 -4.79 113.62 118.62 1wh0 n SER 112 Ca -0.04 -2.82 -0.28 0.00 -1.33 0.00 0.00 58.87 54.40 1wh0 n SER 112 Cb 0.64 -1.37 -0.17 0.00 -0.75 0.00 0.00 64.21 62.57 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 -0.03 1.55 0.63 -1.46 -2.07 -1.26 -5.03 119.66 112.00 1wh0 s GLN 113 Ca 0.63 -0.49 -0.17 0.00 -1.82 0.00 0.00 55.36 53.51 1wh0 s GLN 113 Cb 0.30 -1.95 -0.02 0.00 -1.09 0.00 0.00 33.01 30.26 1wh0 s GLN 113 CO -0.10 -0.38 1.19 0.50 -1.32 0.00 0.00 175.29 175.18 1wh0 s ARG 114 N 1.62 2.78 -0.09 9.60 3.52 -1.26 -4.96 118.95 130.17 1wh0 s ARG 114 Ca 0.02 1.74 0.17 0.00 -0.13 0.00 0.00 55.73 57.53 1wh0 s ARG 114 Cb -0.15 -1.91 -0.23 0.00 -1.56 0.00 0.00 34.95 31.10 1wh0 s ARG 114 CO -0.08 -1.33 0.43 0.91 -0.81 0.00 0.00 175.30 174.41 1wh0 n TRP 115 N -1.94 0.47 -1.47 5.12 8.01 -1.26 -5.01 117.44 121.37 1wh0 n TRP 115 Ca 0.13 0.16 0.00 0.00 -1.31 0.00 0.00 57.50 56.48 1wh0 n TRP 115 Cb 0.50 -1.02 0.00 0.00 -2.01 0.00 0.00 31.31 28.78 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 1.57 0.98 0.00 6.99 0.00 -1.26 -5.01 105.19 108.46 1wh0 n GLY 116 Ca -0.21 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.35 0.99 0.32 -0.02 0.00 -1.26 -5.02 105.19 99.85 1wh0 n GLY 117 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.61 -4.84 0.99 7.94 -1.26 -4.26 117.00 114.96 1wh0 n LEU 118 Ca 0.00 1.45 -0.35 0.00 -1.11 0.00 0.00 56.01 56.00 1wh0 n LEU 118 Cb 0.00 -0.30 -0.06 0.00 0.53 0.00 0.00 43.42 43.59 1wh0 n LEU 118 CO 0.00 -1.28 0.25 -1.61 -1.11 0.00 0.00 177.39 173.64 1wh0 s GLU 119 N -5.71 4.00 0.03 1.96 2.02 -1.26 -4.17 118.70 115.58 1wh0 s GLU 119 Ca -0.11 0.52 -0.10 0.00 0.02 0.00 0.00 54.97 55.30 1wh0 s GLU 119 Cb 0.15 -2.91 -0.05 0.00 0.10 0.00 0.00 34.13 31.42 1wh0 s GLU 119 CO 0.58 0.46 0.36 0.00 0.02 0.00 0.00 175.26 176.67 1wh0 s ALA 120 N -1.48 3.76 1.08 5.21 0.00 0.54 -4.86 121.76 126.00 1wh0 s ALA 120 Ca 0.39 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 1wh0 s ALA 120 Cb -0.15 -2.23 0.10 0.00 0.00 0.00 0.00 23.12 20.84 1wh0 s ALA 120 CO 0.19 0.57 0.34 -0.35 0.00 0.00 0.00 175.76 176.51 1wh0 n PRO 121 N 1.21 -1.69 -3.76 0.00 -0.04 -1.26 -4.89 135.00 124.58 1wh0 n PRO 121 Ca -0.11 -0.54 -0.13 0.00 -0.04 0.00 0.00 63.50 62.68 1wh0 n PRO 121 Cb 0.53 -0.51 -0.09 0.00 -0.04 0.00 0.00 33.50 33.39 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 -0.81 -0.22 0.55 0.00 -1.26 -5.14 121.76 111.89 1wh0 s ALA 122 Ca 0.22 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.61 1wh0 s ALA 122 Cb -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1wh0 s ALA 122 CO 0.17 -0.24 0.01 0.00 0.00 0.00 0.00 175.76 175.70 1wh0 s ALA 123 N -1.00 3.00 -1.30 0.00 0.00 -1.26 -4.65 121.76 116.55 1wh0 s ALA 123 Ca -0.11 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 50.61 1wh0 s ALA 123 Cb -0.05 -1.85 0.15 0.00 0.00 0.00 0.00 23.12 21.38 1wh0 s ALA 123 CO 0.03 -0.35 0.37 2.89 0.00 0.00 0.00 175.76 178.70 1wh0 n ARG 124 N 4.65 -0.82 -3.43 0.00 1.85 -1.26 -4.81 116.66 112.84 1wh0 n ARG 124 Ca -0.17 0.09 -0.43 0.00 -1.00 0.00 0.00 57.85 56.34 1wh0 n ARG 124 Cb 0.51 -3.22 -0.03 0.00 -1.05 0.00 0.00 32.46 28.68 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 -2.76 5.32 0.00 8.89 1.01 -1.26 -4.61 120.40 126.99 1wh0 s VAL 125 Ca 0.52 -3.10 0.00 0.00 0.00 0.00 0.00 61.98 59.40 1wh0 s VAL 125 Cb -0.30 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.81 1wh0 s VAL 125 CO 0.72 -1.08 0.00 0.61 0.00 0.00 0.00 175.10 175.36 1wh0 n GLY 126 N 3.19 0.69 2.11 4.51 0.00 -1.26 -5.00 105.19 109.44 1wh0 n GLY 126 Ca 0.18 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 45.28 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 3.65 2.80 -0.02 0.00 -1.26 -4.77 105.19 105.59 1wh0 n GLY 127 Ca 0.00 -1.31 -0.18 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.65 -0.12 0.16 4.61 0.00 -1.26 -5.03 121.76 119.48 1wh0 s ALA 128 Ca 0.50 0.42 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 1wh0 s ALA 128 Cb 0.29 -0.92 0.04 0.00 0.00 0.00 0.00 23.12 22.54 1wh0 s ALA 128 CO -0.09 -0.73 1.82 0.66 0.00 0.00 0.00 175.76 177.42 1wh0 h SER 129 N 8.36 0.51 -3.20 0.00 4.64 -2.05 -3.48 113.55 118.33 1wh0 h SER 129 Ca -0.14 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 1wh0 h SER 129 Cb 1.13 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1wh0 h SER 129 CO 0.18 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 1wh0 n GLY 130 N -1.22 -1.82 3.73 -0.77 0.00 -1.26 -4.83 105.19 99.02 1wh0 n GLY 130 Ca 0.02 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 4.38 -0.18 1.61 0.04 -1.26 -4.95 135.00 134.64 1wh0 s PRO 131 Ca 0.00 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 1wh0 s PRO 131 Cb 0.00 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 31.25 1wh0 s PRO 131 CO 0.00 -0.27 -0.22 -1.13 0.04 0.00 0.00 177.00 175.41 1wh0 n SER 132 N 2.85 1.53 -4.59 6.66 3.41 -1.26 -4.94 113.62 117.28 1wh0 n SER 132 Ca 0.07 0.17 -0.41 0.00 -0.26 0.00 0.00 58.87 58.44 1wh0 n SER 132 Cb 0.43 -0.49 -0.07 0.00 -0.26 0.00 0.00 64.21 63.82 1wh0 n SER 132 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wh0 s SER 133 N -6.48 6.46 0.00 4.04 1.04 -1.26 -5.17 113.70 112.33 1wh0 s SER 133 Ca -0.25 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1wh0 s SER 133 Cb 0.09 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1wh0 s SER 133 CO 0.34 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.66