#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 1.61 0.43 1.61 3.41 -1.26 -4.83 113.62 114.59 1wh0 n SER 2 Ca 0.00 0.01 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 1wh0 n SER 2 Cb 0.00 -0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 1wh0 n SER 2 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1wh0 h SER 3 N -0.02 -1.09 -3.39 4.04 0.87 -2.15 -3.44 113.55 108.37 1wh0 h SER 3 Ca -0.02 0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 60.39 1wh0 h SER 3 Cb 1.03 0.30 -0.30 0.00 -0.44 0.00 0.00 62.40 62.99 1wh0 h SER 3 CO -0.01 -0.71 -0.50 -0.83 -0.53 0.00 0.00 176.83 174.25 1wh0 s GLY 4 N -1.91 -0.13 -0.07 5.77 0.00 -1.26 -5.15 107.32 104.58 1wh0 s GLY 4 Ca -0.17 0.93 0.02 0.00 0.00 0.00 0.00 44.72 45.49 1wh0 s GLY 4 CO 0.54 1.18 -0.10 -0.56 0.00 0.00 0.00 173.10 174.15 1wh0 s SER 5 N 1.18 1.76 1.27 1.64 0.01 -1.26 -4.90 113.70 113.39 1wh0 s SER 5 Ca -0.09 -0.28 -0.21 0.00 1.31 0.00 0.00 55.95 56.68 1wh0 s SER 5 Cb -0.10 -0.79 0.31 0.00 0.21 0.00 0.00 66.02 65.66 1wh0 s SER 5 CO -0.08 -0.01 1.09 -1.20 0.41 0.00 0.00 173.24 173.46 1wh0 n SER 6 N 4.07 -2.24 -2.71 2.44 7.64 -1.26 -5.07 113.62 116.49 1wh0 n SER 6 Ca -0.21 -1.16 -0.01 0.00 1.01 0.00 0.00 58.87 58.50 1wh0 n SER 6 Cb 0.51 -1.01 0.02 0.00 -1.01 0.00 0.00 64.21 62.72 1wh0 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh0 s GLY 7 N -4.41 -1.78 0.60 0.23 0.00 -1.26 -5.17 107.32 95.53 1wh0 s GLY 7 Ca 0.71 0.85 -0.03 0.00 0.00 0.00 0.00 44.72 46.26 1wh0 s GLY 7 CO 0.55 4.31 0.87 0.54 0.00 0.00 0.00 173.10 179.37 1wh0 s VAL 8 N 1.35 2.78 -0.29 1.40 0.11 -1.26 -5.00 120.40 119.49 1wh0 s VAL 8 Ca 0.20 -0.42 -0.29 0.00 -2.93 0.00 0.00 61.98 58.55 1wh0 s VAL 8 Cb 0.09 -3.11 -0.02 0.00 -1.53 0.00 0.00 36.38 31.82 1wh0 s VAL 8 CO -0.12 -0.09 1.70 1.51 -3.33 0.00 0.00 175.10 174.76 1wh0 s ASP 9 N -4.42 6.12 0.79 3.54 -4.77 -1.26 -4.95 116.67 111.72 1wh0 s ASP 9 Ca 0.57 1.39 -0.17 0.00 -3.30 0.00 0.00 52.55 51.04 1wh0 s ASP 9 Cb -0.10 -2.53 -0.13 0.00 -1.09 0.00 0.00 42.92 39.07 1wh0 s ASP 9 CO 0.42 -1.51 -0.37 -0.62 0.70 0.00 0.00 175.17 173.78 1wh0 n GLU 10 N 8.11 0.02 0.00 2.11 1.02 -1.26 -4.75 120.64 125.89 1wh0 n GLU 10 Ca 0.21 0.01 0.05 0.00 -0.02 0.00 0.00 57.16 57.41 1wh0 n GLU 10 Cb 0.46 -1.12 0.30 0.00 -0.02 0.00 0.00 31.44 31.06 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 1.62 0.48 -0.31 3.49 -0.04 -1.26 -3.99 135.00 135.00 1wh0 n PRO 11 Ca 0.03 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.64 1wh0 n PRO 11 Cb 0.52 -1.32 0.29 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.82 -0.07 -0.14 0.54 0.28 -1.26 0.24 120.64 119.40 1wh0 n GLU 12 Ca 0.08 1.32 -0.04 0.00 -0.16 0.00 0.00 57.16 58.35 1wh0 n GLU 12 Cb 0.03 -2.13 0.15 0.00 1.43 0.00 0.00 31.44 30.92 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 0.83 -4.22 -1.84 0.02 -1.94 -3.43 113.55 102.97 1wh0 h SER 13 Ca 0.56 -0.18 -0.50 0.00 -0.84 0.00 0.00 61.79 60.83 1wh0 h SER 13 Cb 1.20 -0.22 0.08 0.00 0.14 0.00 0.00 62.40 63.60 1wh0 h SER 13 CO -0.82 0.85 0.37 -0.04 -1.14 0.00 0.00 176.83 176.05 1wh0 s MET 14 N -5.12 3.15 -0.01 3.45 -1.94 0.65 -4.93 119.30 114.55 1wh0 s MET 14 Ca -0.10 1.20 -0.04 0.00 -1.71 0.00 0.00 55.69 55.03 1wh0 s MET 14 Cb 0.15 -2.01 -0.04 0.00 2.01 0.00 0.00 34.83 34.94 1wh0 s MET 14 CO 0.82 -0.95 0.21 0.08 -0.01 0.00 0.00 175.02 175.17 1wh0 s VAL 15 N -2.54 5.39 -0.19 -6.03 1.01 -0.90 -4.97 120.40 112.18 1wh0 s VAL 15 Ca 0.63 -0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.55 1wh0 s VAL 15 Cb -0.16 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 1wh0 s VAL 15 CO 0.41 0.35 -0.01 0.20 0.00 0.00 0.00 175.10 176.06 1wh0 s ASN 16 N -1.80 4.90 -0.12 3.32 -0.87 -1.26 -0.22 114.94 118.88 1wh0 s ASN 16 Ca 0.27 -0.15 -0.27 0.00 -1.57 0.00 0.00 52.86 51.13 1wh0 s ASN 16 Cb -0.13 -1.83 -0.02 0.00 -0.02 0.00 0.00 41.25 39.26 1wh0 s ASN 16 CO 0.17 0.11 0.89 -0.76 -2.57 0.00 0.00 177.10 174.94 1wh0 s LEU 17 N 0.75 4.24 0.16 0.60 1.43 0.11 -4.87 118.68 121.09 1wh0 s LEU 17 Ca -0.00 1.35 0.15 0.00 -1.03 0.00 0.00 54.13 54.60 1wh0 s LEU 17 Cb -0.14 -3.37 -0.06 0.00 0.03 0.00 0.00 46.19 42.65 1wh0 s LEU 17 CO 0.02 -0.37 1.16 0.00 0.23 0.00 0.00 176.35 177.39 1wh0 h ALA 18 N 7.12 0.63 -2.10 4.21 0.00 -1.97 -3.40 119.26 123.75 1wh0 h ALA 18 Ca -0.32 -0.70 0.02 0.00 0.00 0.00 0.00 54.91 53.90 1wh0 h ALA 18 Cb 1.15 0.07 -0.22 0.00 0.00 0.00 0.00 17.79 18.79 1wh0 h ALA 18 CO 0.83 0.85 -0.09 0.12 0.00 0.00 0.00 179.25 180.96 1wh0 s PHE 19 N -2.90 -1.10 -0.13 0.00 5.36 -1.26 -5.08 117.98 112.86 1wh0 s PHE 19 Ca 0.01 2.08 0.02 0.00 -0.96 0.00 0.00 56.93 58.08 1wh0 s PHE 19 Cb 0.08 0.64 0.01 0.00 -0.34 0.00 0.00 43.02 43.41 1wh0 s PHE 19 CO 0.78 -0.56 -0.18 0.08 -1.46 0.00 0.00 175.22 173.88 1wh0 s VAL 20 N 2.12 1.78 -0.46 3.12 1.01 -1.26 -5.07 120.40 121.64 1wh0 s VAL 20 Ca -0.08 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1wh0 s VAL 20 Cb -0.08 -1.60 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 1wh0 s VAL 20 CO -0.18 0.49 2.36 1.17 0.00 0.00 0.00 175.10 178.95 1wh0 n LYS 21 N 4.24 1.14 -3.89 2.72 0.00 -1.26 -4.88 118.16 116.24 1wh0 n LYS 21 Ca -0.19 0.17 -0.09 0.00 0.00 0.00 0.00 58.31 58.20 1wh0 n LYS 21 Cb 0.51 -3.00 -0.04 0.00 0.00 0.00 0.00 35.03 32.50 1wh0 n LYS 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wh0 s ASN 22 N 10.07 -0.16 -0.08 3.14 6.03 -1.26 -0.62 114.94 132.06 1wh0 s ASN 22 Ca 1.05 -0.73 -0.03 0.00 -1.03 0.00 0.00 52.86 52.12 1wh0 s ASN 22 Cb -0.46 0.59 0.05 0.00 -3.03 0.00 0.00 41.25 38.40 1wh0 s ASN 22 CO 0.35 -1.12 0.17 -0.62 -2.03 0.00 0.00 177.10 173.84 1wh0 s ASP 23 N -2.95 0.42 -0.05 3.54 2.15 0.15 -4.93 116.67 115.00 1wh0 s ASP 23 Ca 0.16 0.35 0.06 0.00 0.43 0.00 0.00 52.55 53.55 1wh0 s ASP 23 Cb -0.01 0.28 -0.02 0.00 -0.30 0.00 0.00 42.92 42.87 1wh0 s ASP 23 CO 0.04 -0.21 -0.22 -0.55 -0.17 0.00 0.00 175.17 174.06 1wh0 s SER 24 N 1.91 3.36 0.18 -0.34 0.15 -1.26 0.43 113.70 118.13 1wh0 s SER 24 Ca -0.01 -0.41 0.10 0.00 0.70 0.00 0.00 55.95 56.34 1wh0 s SER 24 Cb -0.12 -0.69 -0.04 0.00 -1.71 0.00 0.00 66.02 63.46 1wh0 s SER 24 CO -0.06 0.29 -0.19 -0.72 1.20 0.00 0.00 173.24 173.76 1wh0 s TYR 25 N -0.45 2.42 -0.42 3.44 1.13 -0.37 -4.97 117.35 118.13 1wh0 s TYR 25 Ca 0.05 -0.31 -0.29 0.00 -1.41 0.00 0.00 57.07 55.11 1wh0 s TYR 25 Cb -0.12 -1.20 0.02 0.00 -1.10 0.00 0.00 41.96 39.56 1wh0 s TYR 25 CO 0.01 0.49 1.20 -1.21 -2.51 0.00 0.00 175.55 173.53 1wh0 s GLU 26 N -2.66 3.77 0.20 -3.49 8.01 -1.26 -2.26 118.70 121.01 1wh0 s GLU 26 Ca 0.22 0.79 0.06 0.00 0.01 0.00 0.00 54.97 56.05 1wh0 s GLU 26 Cb -0.08 -3.90 -0.04 0.00 -4.31 0.00 0.00 34.13 25.80 1wh0 s GLU 26 CO 0.11 -1.31 0.14 0.21 0.01 0.00 0.00 175.26 174.42 1wh0 s LYS 27 N 4.39 2.83 0.02 1.61 2.20 0.12 -4.97 119.74 125.93 1wh0 s LYS 27 Ca 0.51 -0.99 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 1wh0 s LYS 27 Cb -0.10 -2.56 0.00 0.00 -1.51 0.00 0.00 37.83 33.66 1wh0 s LYS 27 CO 0.28 0.44 0.00 0.41 -0.36 0.00 0.00 175.35 176.13 1wh0 n GLY 28 N -0.67 0.42 0.09 5.54 0.00 -1.26 -0.96 105.19 108.34 1wh0 n GLY 28 Ca -0.08 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.08 0.00 1.61 0.13 -1.98 -3.37 132.00 128.31 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 0.37 -0.11 -0.40 -0.23 0.00 0.00 178.00 177.63 1wh0 n ASP 30 N -4.90 1.52 -4.84 1.44 5.68 -1.26 -4.44 116.55 109.75 1wh0 n ASP 30 Ca -0.08 -2.39 -0.35 0.00 -0.50 0.00 0.00 54.79 51.47 1wh0 n ASP 30 Cb 0.25 -0.24 -0.06 0.00 -1.14 0.00 0.00 41.12 39.93 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 -1.75 6.90 -0.16 -1.12 0.01 -0.13 -1.56 113.70 115.88 1wh0 s SER 31 Ca 0.15 1.26 -0.05 0.00 1.31 0.00 0.00 55.95 58.61 1wh0 s SER 31 Cb 0.13 -2.36 0.08 0.00 0.21 0.00 0.00 66.02 64.08 1wh0 s SER 31 CO 0.01 -0.01 0.29 -0.69 0.41 0.00 0.00 173.24 173.25 1wh0 s VAL 32 N -1.64 -0.46 -0.06 3.43 1.01 -0.62 0.11 120.40 122.18 1wh0 s VAL 32 Ca 0.45 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.57 1wh0 s VAL 32 Cb -0.14 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1wh0 s VAL 32 CO 0.20 0.05 0.14 -0.69 0.00 0.00 0.00 175.10 174.80 1wh0 s VAL 33 N 2.45 5.29 -0.04 2.92 1.01 -0.96 -0.55 120.40 130.53 1wh0 s VAL 33 Ca 0.03 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.02 1wh0 s VAL 33 Cb -0.13 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1wh0 s VAL 33 CO -0.10 0.46 -0.25 -0.69 0.00 0.00 0.00 175.10 174.52 1wh0 s VAL 34 N -1.16 2.02 -0.34 2.92 1.01 -0.91 -1.24 120.40 122.70 1wh0 s VAL 34 Ca 0.21 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1wh0 s VAL 34 Cb -0.12 -1.69 0.09 0.00 0.00 0.00 0.00 36.38 34.66 1wh0 s VAL 34 CO 0.11 0.57 0.06 -1.00 0.00 0.00 0.00 175.10 174.84 1wh0 s HIS 35 N -0.41 3.64 -0.21 5.22 3.76 0.17 -2.75 115.29 124.71 1wh0 s HIS 35 Ca 0.04 -2.73 -0.18 0.00 -0.15 0.00 0.00 55.06 52.05 1wh0 s HIS 35 Cb -0.11 -2.81 -0.03 0.00 1.11 0.00 0.00 32.58 30.73 1wh0 s HIS 35 CO 0.01 -0.94 0.49 0.08 -0.85 0.00 0.00 174.74 173.54 1wh0 s VAL 36 N 1.00 5.12 -0.65 -0.90 1.01 -0.71 0.29 120.40 125.56 1wh0 s VAL 36 Ca 0.07 0.89 -0.27 0.00 0.00 0.00 0.00 61.98 62.67 1wh0 s VAL 36 Cb -0.20 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1wh0 s VAL 36 CO -0.06 0.17 1.20 -0.31 0.00 0.00 0.00 175.10 176.10 1wh0 s TYR 37 N 1.71 2.49 -0.16 5.22 1.51 0.21 -1.25 117.35 127.08 1wh0 s TYR 37 Ca 0.22 0.14 -0.29 0.00 -1.01 0.00 0.00 57.07 56.13 1wh0 s TYR 37 Cb -0.15 -4.52 0.12 0.00 -0.11 0.00 0.00 41.96 37.29 1wh0 s TYR 37 CO 0.09 -1.78 0.94 0.54 -1.11 0.00 0.00 175.55 174.23 1wh0 s VAL 38 N 5.17 0.00 0.34 0.71 0.11 -1.04 -4.79 120.40 120.90 1wh0 s VAL 38 Ca 0.38 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.46 1wh0 s VAL 38 Cb -0.08 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.73 1wh0 s VAL 38 CO 0.20 0.00 0.14 -0.54 -3.33 0.00 0.00 175.10 171.57 1wh0 s LYS 39 N -0.87 1.73 -1.40 1.54 1.02 -1.26 -3.22 119.74 117.27 1wh0 s LYS 39 Ca -0.03 -2.01 -0.03 0.00 0.02 0.00 0.00 55.97 53.92 1wh0 s LYS 39 Cb -0.01 -0.35 0.02 0.00 -0.52 0.00 0.00 37.83 36.97 1wh0 s LYS 39 CO 0.02 -0.44 0.66 0.39 -0.92 0.00 0.00 175.35 175.06 1wh0 n GLU 40 N -0.71 -4.40 -3.68 1.68 -0.58 -1.26 -3.62 120.64 108.06 1wh0 n GLU 40 Ca -0.02 0.53 -0.27 0.00 -0.42 0.00 0.00 57.16 56.98 1wh0 n GLU 40 Cb 0.65 -5.02 -0.03 0.00 -0.57 0.00 0.00 31.44 26.47 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 -3.68 5.20 -0.47 -3.67 1.01 -1.26 -1.09 121.20 117.23 1wh0 s ILE 41 Ca 0.15 -0.35 -0.13 0.00 0.00 0.00 0.00 60.65 60.32 1wh0 s ILE 41 Cb -0.08 -3.73 0.09 0.00 0.01 0.00 0.00 42.46 38.75 1wh0 s ILE 41 CO 0.85 -0.18 0.37 0.00 0.00 0.00 0.00 174.94 175.97 1wh0 n ARG 43 N 5.09 0.25 -0.02 0.00 1.74 -1.26 -0.55 116.66 121.92 1wh0 n ARG 43 Ca -0.11 0.12 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 1wh0 n ARG 43 Cb 0.42 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.22 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 -1.25 1.15 -0.41 0.55 8.00 -1.26 -4.22 116.55 119.11 1wh0 n ASP 44 Ca 0.08 0.35 0.04 0.00 0.71 0.00 0.00 54.79 55.96 1wh0 n ASP 44 Cb 0.12 -0.22 0.10 0.00 -0.02 0.00 0.00 41.12 41.10 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 -3.14 1.09 -4.17 -3.53 -2.24 -0.97 -4.96 114.28 96.37 1wh0 n THR 45 Ca -0.21 -1.08 -0.34 0.00 -2.27 0.00 0.00 64.05 60.15 1wh0 n THR 45 Cb 1.05 0.44 -0.15 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.10 3.55 0.41 3.42 0.01 0.29 -4.44 113.70 115.84 1wh0 s SER 46 Ca 0.16 -0.54 0.05 0.00 1.31 0.00 0.00 55.95 56.93 1wh0 s SER 46 Cb 0.09 -1.57 -0.02 0.00 0.21 0.00 0.00 66.02 64.74 1wh0 s SER 46 CO 0.09 0.01 0.18 0.00 0.41 0.00 0.00 173.24 173.93 1wh0 s ARG 47 N 1.23 1.96 -0.05 12.44 1.70 0.37 -4.75 118.95 131.85 1wh0 s ARG 47 Ca 0.03 -2.20 -0.02 0.00 -0.47 0.00 0.00 55.73 53.06 1wh0 s ARG 47 Cb -0.14 -0.39 0.04 0.00 -0.57 0.00 0.00 34.95 33.89 1wh0 s ARG 47 CO -0.07 -0.57 0.09 0.08 -1.08 0.00 0.00 175.30 173.75 1wh0 s VAL 48 N -3.21 -0.11 -0.34 4.99 1.01 -1.26 -0.82 120.40 120.66 1wh0 s VAL 48 Ca 0.25 0.29 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 1wh0 s VAL 48 Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 1wh0 s VAL 48 CO 0.18 0.12 0.23 -0.76 0.00 0.00 0.00 175.10 174.87 1wh0 s LEU 49 N 1.61 4.48 -0.44 3.92 2.01 0.17 -4.97 118.68 125.47 1wh0 s LEU 49 Ca -0.03 -0.41 -0.17 0.00 0.01 0.00 0.00 54.13 53.52 1wh0 s LEU 49 Cb -0.12 -2.13 0.04 0.00 0.01 0.00 0.00 46.19 43.98 1wh0 s LEU 49 CO -0.04 -0.23 0.46 -0.36 1.01 0.00 0.00 176.35 177.19 1wh0 s PHE 50 N 1.72 3.16 0.53 0.29 0.08 -1.26 -0.17 117.98 122.33 1wh0 s PHE 50 Ca 0.06 -0.50 -0.00 0.00 0.12 0.00 0.00 56.93 56.61 1wh0 s PHE 50 Cb -0.17 -3.03 0.10 0.00 -0.57 0.00 0.00 43.02 39.35 1wh0 s PHE 50 CO 0.10 -0.77 0.72 0.54 -0.10 0.00 0.00 175.22 175.72 1wh0 n ARG 51 N 5.62 0.09 0.10 0.44 5.12 0.40 -4.59 116.66 123.84 1wh0 n ARG 51 Ca -0.08 -1.96 -0.23 0.00 -1.93 0.00 0.00 57.85 53.64 1wh0 n ARG 51 Cb 0.46 -0.48 -0.15 0.00 -1.16 0.00 0.00 32.46 31.13 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 -3.32 114.58 119.39 1wh0 h GLU 52 Ca -0.24 -0.77 -0.00 0.00 0.07 0.00 0.00 59.36 58.43 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 0.26 1.36 -0.08 0.94 0.07 0.00 0.00 179.01 181.56 1wh0 n GLN 53 N -3.63 1.34 -3.50 1.06 7.27 -1.26 0.13 117.38 118.79 1wh0 n GLN 53 Ca -0.22 -2.70 -0.00 0.00 0.07 0.00 0.00 57.00 54.15 1wh0 n GLN 53 Cb 1.09 -1.52 0.01 0.00 2.41 0.00 0.00 30.24 32.23 1wh0 n GLN 53 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1wh0 n ASP 54 N -1.38 -1.21 -3.36 1.69 5.75 -1.26 -2.59 116.55 114.18 1wh0 n ASP 54 Ca 0.17 -1.49 0.02 0.00 -0.01 0.00 0.00 54.79 53.47 1wh0 n ASP 54 Cb 0.65 1.94 -0.03 0.00 -1.03 0.00 0.00 41.12 42.65 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 -2.55 -1.10 0.02 2.11 -0.12 -1.12 -0.45 117.98 114.76 1wh0 s PHE 55 Ca 0.21 1.55 -0.08 0.00 -0.05 0.00 0.00 56.93 58.56 1wh0 s PHE 55 Cb -0.02 0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 1wh0 s PHE 55 CO 0.02 -0.57 0.31 0.99 -0.05 0.00 0.00 175.22 175.91 1wh0 s THR 56 N 2.77 5.24 -0.26 -4.49 2.01 0.76 -2.79 115.64 118.89 1wh0 s THR 56 Ca 0.03 0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.34 1wh0 s THR 56 Cb -0.11 -3.59 0.07 0.00 0.01 0.00 0.00 72.50 68.88 1wh0 s THR 56 CO -0.18 0.38 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.89 1wh0 s LEU 57 N -1.70 2.95 -0.31 4.42 2.96 -0.05 0.45 118.68 127.40 1wh0 s LEU 57 Ca 0.28 -1.40 -0.10 0.00 -0.22 0.00 0.00 54.13 52.69 1wh0 s LEU 57 Cb -0.14 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.29 1wh0 s LEU 57 CO 0.16 -0.27 0.17 -0.63 -1.32 0.00 0.00 176.35 174.45 1wh0 s ILE 58 N 1.32 4.78 -0.12 6.68 1.09 -0.00 -1.16 121.20 133.78 1wh0 s ILE 58 Ca -0.02 -0.32 -0.13 0.00 -1.10 0.00 0.00 60.65 59.08 1wh0 s ILE 58 Cb -0.19 -3.41 0.03 0.00 -1.06 0.00 0.00 42.46 37.83 1wh0 s ILE 58 CO -0.08 0.08 0.37 0.72 -0.10 0.00 0.00 174.94 175.92 1wh0 s PHE 59 N 1.65 -0.38 -0.39 3.97 -0.12 -0.85 0.14 117.98 121.99 1wh0 s PHE 59 Ca 0.05 0.90 -0.10 0.00 -0.05 0.00 0.00 56.93 57.74 1wh0 s PHE 59 Cb -0.17 0.14 0.05 0.00 -0.63 0.00 0.00 43.02 42.41 1wh0 s PHE 59 CO 0.07 -0.22 0.22 -0.65 -0.05 0.00 0.00 175.22 174.59 1wh0 s GLN 60 N -0.01 2.71 -0.01 1.99 -0.21 -1.26 -3.28 119.66 119.59 1wh0 s GLN 60 Ca -0.02 -1.25 -0.05 0.00 0.02 0.00 0.00 55.36 54.06 1wh0 s GLN 60 Cb -0.03 -3.73 -0.04 0.00 1.00 0.00 0.00 33.01 30.21 1wh0 s GLN 60 CO 0.01 -0.81 0.22 -0.08 -2.12 0.00 0.00 175.29 172.51 1wh0 s THR 61 N 1.48 5.38 -0.04 -0.19 -1.32 -1.26 -2.50 115.64 117.20 1wh0 s THR 61 Ca 0.02 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.56 1wh0 s THR 61 Cb -0.21 -3.54 0.10 0.00 -1.51 0.00 0.00 72.50 67.33 1wh0 s THR 61 CO 0.04 0.35 1.04 -2.11 -2.21 0.00 0.00 174.62 171.74 1wh0 n ARG 62 N 1.06 2.36 -2.47 7.08 1.85 -0.25 -4.24 116.66 122.06 1wh0 n ARG 62 Ca -0.11 -1.84 -0.43 0.00 -1.00 0.00 0.00 57.85 54.47 1wh0 n ARG 62 Cb 0.53 -1.16 -0.02 0.00 -1.05 0.00 0.00 32.46 30.76 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 -1.61 6.62 0.64 2.89 2.15 -1.24 -4.87 116.67 121.24 1wh0 s ASP 63 Ca 0.11 0.95 0.23 0.00 0.43 0.00 0.00 52.55 54.26 1wh0 s ASP 63 Cb 0.09 -2.54 1.13 0.00 -0.30 0.00 0.00 42.92 41.30 1wh0 s ASP 63 CO 0.01 -1.17 1.62 1.23 -0.17 0.00 0.00 175.17 176.69 1wh0 h GLY 64 N 11.17 0.00 1.47 2.66 0.00 -1.94 0.65 103.07 117.07 1wh0 h GLY 64 Ca -0.25 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.87 1wh0 h GLY 64 CO 1.06 0.00 -0.80 3.43 0.00 0.00 0.00 176.54 180.23 1wh0 h ASN 65 N 0.00 0.62 0.37 0.19 2.35 -1.97 -1.94 115.58 115.20 1wh0 h ASN 65 Ca 0.12 -0.43 -0.32 0.00 -0.55 0.00 0.00 56.30 55.12 1wh0 h ASN 65 Cb 1.40 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 1wh0 h ASN 65 CO -0.00 1.20 -1.70 0.15 -1.65 0.00 0.00 177.43 175.43 1wh0 h PHE 66 N 0.33 0.36 0.16 1.19 3.04 -0.19 -3.36 116.94 118.46 1wh0 h PHE 66 Ca -0.05 -0.26 -0.01 0.00 3.98 0.00 0.00 57.97 61.63 1wh0 h PHE 66 Cb 1.41 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.90 1wh0 h PHE 66 CO 0.06 1.41 -0.07 -0.07 -2.02 0.00 0.00 178.31 177.61 1wh0 h LEU 67 N 0.05 -0.18 -1.49 0.59 3.38 -0.94 -2.97 115.31 113.75 1wh0 h LEU 67 Ca -0.30 -0.25 0.37 0.00 0.09 0.00 0.00 57.88 57.80 1wh0 h LEU 67 Cb 2.02 0.05 -0.10 0.00 0.09 0.00 0.00 40.66 42.71 1wh0 h LEU 67 CO 0.12 0.16 0.82 0.08 0.09 0.00 0.00 178.44 179.71 1wh0 h ARG 68 N -0.53 0.17 -0.55 1.13 0.11 -1.53 0.50 114.38 113.68 1wh0 h ARG 68 Ca -0.02 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1wh0 h ARG 68 Cb 0.41 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.43 1wh0 h ARG 68 CO 0.03 0.11 0.36 -0.07 0.10 0.00 0.00 179.97 180.51 1wh0 h LEU 69 N 0.18 0.64 -7.79 0.08 3.38 -1.66 -3.35 115.31 106.79 1wh0 h LEU 69 Ca 0.72 -0.03 -0.73 0.00 0.09 0.00 0.00 57.88 57.93 1wh0 h LEU 69 Cb 2.23 -0.16 -0.31 0.00 0.09 0.00 0.00 40.66 42.51 1wh0 h LEU 69 CO -0.31 0.48 -0.28 -1.00 0.09 0.00 0.00 178.44 177.42 1wh0 s HIS 70 N -6.11 3.50 0.70 1.13 3.76 0.18 -5.08 115.29 113.36 1wh0 s HIS 70 Ca -0.13 -2.21 -0.13 0.00 -0.15 0.00 0.00 55.06 52.43 1wh0 s HIS 70 Cb 0.13 -3.46 0.02 0.00 1.11 0.00 0.00 32.58 30.38 1wh0 s HIS 70 CO 0.75 -0.94 1.10 -1.25 -0.85 0.00 0.00 174.74 173.55 1wh0 s PRO 71 N 0.59 2.62 0.00 8.40 0.04 -1.25 -3.55 135.00 141.85 1wh0 s PRO 71 Ca 0.12 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1wh0 s PRO 71 Cb -0.20 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1wh0 s PRO 71 CO -0.04 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.03 1wh0 n GLY 72 N -0.75 2.55 3.86 0.56 0.00 -1.26 -5.01 105.19 105.13 1wh0 n GLY 72 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.60 3.85 0.16 0.00 0.00 -1.26 -5.01 105.19 101.34 1wh0 n GLY 74 Ca -0.07 -1.21 0.01 0.00 0.00 0.00 0.00 46.02 44.76 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 -0.22 1.61 0.13 -1.92 -2.61 132.00 129.00 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 0.48 0.00 -2.39 -0.23 0.00 0.00 178.00 175.86 1wh0 n HIS 76 N -3.94 0.28 -3.09 1.56 1.44 -1.26 -4.50 115.22 105.71 1wh0 n HIS 76 Ca -0.01 -0.14 -0.43 0.00 -2.01 0.00 0.00 57.72 55.13 1wh0 n HIS 76 Cb 0.50 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.55 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 -1.72 4.82 0.39 0.61 2.01 -0.99 -5.03 115.64 115.73 1wh0 s THR 77 Ca 0.32 0.30 -0.27 0.00 0.31 0.00 0.00 61.69 62.34 1wh0 s THR 77 Cb 0.17 -4.18 -0.10 0.00 0.01 0.00 0.00 72.50 68.40 1wh0 s THR 77 CO 0.25 -0.53 1.43 -0.89 -0.69 0.00 0.00 174.62 174.19 1wh0 s THR 78 N 2.85 2.22 -0.16 -0.82 2.01 -1.26 -4.72 115.64 115.76 1wh0 s THR 78 Ca 0.24 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.46 1wh0 s THR 78 Cb -0.14 -3.13 0.03 0.00 0.01 0.00 0.00 72.50 69.26 1wh0 s THR 78 CO 0.18 0.04 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.66 1wh0 s PHE 79 N -1.15 2.22 -0.25 4.92 0.08 -1.21 -2.12 117.98 120.48 1wh0 s PHE 79 Ca 0.54 -1.29 -0.05 0.00 0.12 0.00 0.00 56.93 56.25 1wh0 s PHE 79 Cb -0.44 -1.61 -0.00 0.00 -0.57 0.00 0.00 43.02 40.40 1wh0 s PHE 79 CO 0.59 -0.69 0.01 0.50 -0.10 0.00 0.00 175.22 175.53 1wh0 s ARG 80 N 1.47 3.27 -0.45 0.44 3.52 0.70 -2.01 118.95 125.89 1wh0 s ARG 80 Ca 0.04 -0.71 -0.08 0.00 -0.13 0.00 0.00 55.73 54.85 1wh0 s ARG 80 Cb -0.13 -3.15 0.11 0.00 -1.56 0.00 0.00 34.95 30.21 1wh0 s ARG 80 CO -0.10 -0.29 0.30 -0.46 -0.81 0.00 0.00 175.30 173.94 1wh0 s TRP 81 N 1.49 3.42 -0.16 5.12 -0.00 -0.31 0.03 118.94 128.53 1wh0 s TRP 81 Ca 0.04 -1.86 -0.14 0.00 -0.00 0.00 0.00 56.10 54.14 1wh0 s TRP 81 Cb -0.15 -3.31 -0.05 0.00 -0.00 0.00 0.00 33.47 29.96 1wh0 s TRP 81 CO -0.01 -0.95 0.32 -1.14 -0.00 0.00 0.00 176.95 175.16 1wh0 s GLN 82 N 1.35 4.25 -0.14 5.86 0.74 -1.26 -0.87 119.66 129.58 1wh0 s GLN 82 Ca 0.05 0.12 0.02 0.00 0.05 0.00 0.00 55.36 55.61 1wh0 s GLN 82 Cb -0.25 -3.44 0.01 0.00 1.10 0.00 0.00 33.01 30.43 1wh0 s GLN 82 CO -0.00 0.19 -0.21 0.08 -0.55 0.00 0.00 175.29 174.79 1wh0 s VAL 83 N 0.60 2.10 -0.41 1.34 1.01 -1.12 -5.01 120.40 118.91 1wh0 s VAL 83 Ca 0.17 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 1wh0 s VAL 83 Cb -0.13 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1wh0 s VAL 83 CO 0.05 0.55 0.72 -0.75 0.00 0.00 0.00 175.10 175.66 1wh0 s LYS 84 N 0.84 3.52 -0.19 2.72 2.20 -1.26 -2.79 119.74 124.77 1wh0 s LYS 84 Ca -0.06 -0.04 -0.21 0.00 -0.36 0.00 0.00 55.97 55.30 1wh0 s LYS 84 Cb -0.15 -3.88 -0.02 0.00 -1.51 0.00 0.00 37.83 32.26 1wh0 s LYS 84 CO -0.02 -0.95 0.66 -0.51 -0.36 0.00 0.00 175.35 174.16 1wh0 s LEU 85 N 3.01 4.15 0.03 5.43 1.43 -1.07 -1.08 118.68 130.58 1wh0 s LEU 85 Ca 0.27 0.89 -0.07 0.00 -1.03 0.00 0.00 54.13 54.19 1wh0 s LEU 85 Cb -0.13 -2.94 -0.02 0.00 0.03 0.00 0.00 46.19 43.13 1wh0 s LEU 85 CO 0.19 -0.28 1.11 0.03 0.23 0.00 0.00 176.35 177.63 1wh0 h ARG 86 N 7.44 -0.08 0.00 1.70 2.47 -1.80 -3.43 114.38 120.67 1wh0 h ARG 86 Ca -0.31 0.01 -0.35 0.00 -1.26 0.00 0.00 59.98 58.06 1wh0 h ARG 86 Cb 1.14 0.02 0.11 0.00 -1.65 0.00 0.00 29.97 29.59 1wh0 h ARG 86 CO 0.78 -0.05 0.24 0.09 0.56 0.00 0.00 179.97 181.59 1wh0 n ASN 87 N -3.25 0.43 -4.83 7.04 3.02 -1.26 -5.09 115.26 111.32 1wh0 n ASN 87 Ca -0.01 -1.56 -0.27 0.00 -0.03 0.00 0.00 54.58 52.71 1wh0 n ASN 87 Cb 0.07 -0.69 0.09 0.00 -0.61 0.00 0.00 39.78 38.64 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 2.70 0.25 3.41 1.43 -1.26 -4.76 118.68 120.45 1wh0 s LEU 88 Ca 0.56 0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 54.03 1wh0 s LEU 88 Cb -0.02 -3.04 0.01 0.00 0.03 0.00 0.00 46.19 43.16 1wh0 s LEU 88 CO 0.39 -1.83 0.54 0.27 0.23 0.00 0.00 176.35 175.95 1wh0 s ILE 89 N -3.42 0.00 -0.44 -0.59 -4.36 0.36 -4.06 121.20 108.70 1wh0 s ILE 89 Ca 0.62 -1.24 -0.03 0.00 -0.26 0.00 0.00 60.65 59.74 1wh0 s ILE 89 Cb -0.10 -2.08 0.12 0.00 1.25 0.00 0.00 42.46 41.65 1wh0 s ILE 89 CO 0.47 -0.02 0.24 -1.61 0.24 0.00 0.00 174.94 174.26 1wh0 s GLU 90 N -3.98 2.09 0.13 0.37 0.41 0.04 -4.54 118.70 113.22 1wh0 s GLU 90 Ca 0.18 -1.90 0.19 0.00 -0.41 0.00 0.00 54.97 53.03 1wh0 s GLU 90 Cb -0.02 -3.62 0.79 0.00 -1.78 0.00 0.00 34.13 29.50 1wh0 s GLU 90 CO 0.07 -1.09 1.58 -0.35 -0.49 0.00 0.00 175.26 174.98 1wh0 n PRO 91 N 4.49 0.10 0.23 0.39 -0.04 -1.25 -2.43 135.00 136.49 1wh0 n PRO 91 Ca -0.01 0.34 0.16 0.00 -0.04 0.00 0.00 63.50 63.94 1wh0 n PRO 91 Cb 0.41 -1.69 0.59 0.00 -0.04 0.00 0.00 33.50 32.78 1wh0 n PRO 91 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wh0 h GLU 92 N 0.00 0.00 0.00 0.54 5.08 -1.91 -3.10 114.58 115.19 1wh0 h GLU 92 Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1wh0 h GLU 92 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1wh0 h GLU 92 CO 0.00 0.00 -1.77 1.04 -1.00 0.00 0.00 179.01 177.28 1wh0 n GLN 93 N -2.87 1.22 -1.30 2.33 1.13 -1.02 -5.02 117.38 111.85 1wh0 n GLN 93 Ca 0.01 -0.06 -0.36 0.00 -1.94 0.00 0.00 57.00 54.65 1wh0 n GLN 93 Cb 0.31 -1.33 0.08 0.00 0.11 0.00 0.00 30.24 29.41 1wh0 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wh0 s THR 95 N -1.88 0.02 -0.11 0.00 -4.23 -0.21 -4.98 115.64 104.26 1wh0 s THR 95 Ca 0.69 -0.19 0.02 0.00 -1.18 0.00 0.00 61.69 61.02 1wh0 s THR 95 Cb -0.35 -0.40 0.02 0.00 1.34 0.00 0.00 72.50 73.11 1wh0 s THR 95 CO 0.55 -0.10 -0.15 0.72 -0.54 0.00 0.00 174.62 175.09 1wh0 s PHE 96 N -0.35 1.96 -0.15 3.99 -0.12 -1.26 -0.38 117.98 121.68 1wh0 s PHE 96 Ca -0.05 -0.93 -0.09 0.00 -0.05 0.00 0.00 56.93 55.82 1wh0 s PHE 96 Cb -0.03 -1.42 0.05 0.00 -0.63 0.00 0.00 43.02 40.99 1wh0 s PHE 96 CO 0.01 -0.48 0.36 0.00 -0.05 0.00 0.00 175.22 175.06 1wh0 s PHE 98 N 1.08 3.29 0.17 0.00 0.40 -1.26 -0.54 117.98 121.13 1wh0 s PHE 98 Ca -0.07 1.43 0.01 0.00 -0.60 0.00 0.00 56.93 57.69 1wh0 s PHE 98 Cb -0.07 -2.85 -0.00 0.00 0.51 0.00 0.00 43.02 40.60 1wh0 s PHE 98 CO -0.09 -0.84 0.03 0.25 0.70 0.00 0.00 175.22 175.28 1wh0 n THR 99 N -2.32 0.00 0.00 0.64 -2.24 0.44 -4.78 114.28 106.01 1wh0 n THR 99 Ca 0.07 -0.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1wh0 n THR 99 Cb 0.54 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.31 0.00 -1.32 6.98 0.00 -1.26 -3.69 120.51 118.90 1wh0 n ALA 100 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1wh0 n ALA 100 Cb 0.24 0.37 0.12 0.00 0.00 0.00 0.00 19.45 20.17 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 -1.96 1.81 -3.88 0.00 3.41 -1.26 -4.87 113.62 106.87 1wh0 n SER 101 Ca 0.00 -2.92 -0.10 0.00 -0.26 0.00 0.00 58.87 55.60 1wh0 n SER 101 Cb 0.00 -0.39 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 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 -2.28 1.20 -0.08 4.33 1.70 -1.20 -2.50 118.95 120.11 1wh0 s ARG 102 Ca 0.26 -1.05 0.00 0.00 -0.47 0.00 0.00 55.73 54.48 1wh0 s ARG 102 Cb 0.23 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 35.01 1wh0 s ARG 102 CO 0.01 -0.46 -0.07 0.42 -1.08 0.00 0.00 175.30 174.13 1wh0 s ILE 103 N -3.93 3.69 -0.19 4.99 1.01 -0.38 0.17 121.20 126.57 1wh0 s ILE 103 Ca 0.13 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 1wh0 s ILE 103 Cb 0.02 -2.52 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1wh0 s ILE 103 CO -0.02 0.58 -0.07 -1.81 0.00 0.00 0.00 174.94 173.62 1wh0 s ASP 104 N -0.61 4.28 -0.21 3.58 1.01 0.30 -1.73 116.67 123.28 1wh0 s ASP 104 Ca 0.09 -0.34 -0.00 0.00 0.71 0.00 0.00 52.55 53.01 1wh0 s ASP 104 Cb -0.12 -1.71 0.06 0.00 1.01 0.00 0.00 42.92 42.16 1wh0 s ASP 104 CO 0.02 0.06 -0.04 -0.63 0.21 0.00 0.00 175.17 174.79 1wh0 s ILE 105 N 1.00 1.29 -0.24 0.77 1.01 -1.11 -1.14 121.20 122.79 1wh0 s ILE 105 Ca -0.00 -1.00 -0.22 0.00 0.00 0.00 0.00 60.65 59.43 1wh0 s ILE 105 Cb -0.15 -1.58 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 1wh0 s ILE 105 CO -0.00 -0.07 0.71 0.00 0.00 0.00 0.00 174.94 175.58 1wh0 s LEU 107 N 2.50 2.84 -0.21 0.00 1.43 0.29 -1.04 118.68 124.48 1wh0 s LEU 107 Ca 0.30 -0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1wh0 s LEU 107 Cb -0.16 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 1wh0 s LEU 107 CO 0.09 0.17 0.03 -0.60 0.23 0.00 0.00 176.35 176.26 1wh0 s ARG 108 N 0.32 3.65 0.48 1.70 6.06 -1.26 -1.59 118.95 128.33 1wh0 s ARG 108 Ca -0.09 -0.49 -0.01 0.00 -2.50 0.00 0.00 55.73 52.63 1wh0 s ARG 108 Cb -0.15 -3.16 -0.00 0.00 0.06 0.00 0.00 34.95 31.69 1wh0 s ARG 108 CO 0.05 -0.03 0.73 0.15 -2.50 0.00 0.00 175.30 173.70 1wh0 s LYS 109 N 1.14 3.06 0.09 5.12 1.02 -0.60 -0.78 119.74 128.77 1wh0 s LYS 109 Ca 0.03 -0.34 -0.18 0.00 0.02 0.00 0.00 55.97 55.51 1wh0 s LYS 109 Cb -0.14 -2.48 -0.08 0.00 -0.52 0.00 0.00 37.83 34.60 1wh0 s LYS 109 CO 0.02 -0.37 1.49 0.00 -0.92 0.00 0.00 175.35 175.57 1wh0 h ARG 110 N 0.25 0.50 -5.02 1.68 3.08 -1.89 -3.43 114.38 109.55 1wh0 h ARG 110 Ca -0.46 -0.19 -0.53 0.00 0.07 0.00 0.00 59.98 58.87 1wh0 h ARG 110 Cb 1.25 -0.03 -0.13 0.00 0.08 0.00 0.00 29.97 31.14 1wh0 h ARG 110 CO 0.58 0.71 -0.52 -0.65 -1.07 0.00 0.00 179.97 179.02 1wh0 s GLN 111 N -4.80 1.87 -0.76 0.04 -1.52 -1.26 -5.05 119.66 108.19 1wh0 s GLN 111 Ca -0.13 -2.13 -0.04 0.00 -1.95 0.00 0.00 55.36 51.10 1wh0 s GLN 111 Cb 0.08 -0.49 0.08 0.00 -0.22 0.00 0.00 33.01 32.45 1wh0 s GLN 111 CO 0.76 -0.48 2.64 0.45 -0.25 0.00 0.00 175.29 178.41 1wh0 n SER 112 N -1.27 7.02 -3.91 5.90 2.88 -1.26 -4.56 113.62 118.42 1wh0 n SER 112 Ca -0.04 -3.18 -0.28 0.00 -1.33 0.00 0.00 58.87 54.04 1wh0 n SER 112 Cb 0.65 -1.28 -0.17 0.00 -0.75 0.00 0.00 64.21 62.66 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 -1.53 1.56 0.63 -1.46 -2.07 -1.26 -4.95 119.66 110.58 1wh0 s GLN 113 Ca 0.57 -0.37 -0.17 0.00 -1.82 0.00 0.00 55.36 53.57 1wh0 s GLN 113 Cb 0.31 -1.78 -0.02 0.00 -1.09 0.00 0.00 33.01 30.44 1wh0 s GLN 113 CO -0.18 -0.32 1.14 -0.98 -1.32 0.00 0.00 175.29 173.63 1wh0 s ARG 114 N 1.66 2.90 -0.11 9.60 1.70 -1.26 -4.97 118.95 128.48 1wh0 s ARG 114 Ca 0.03 1.54 0.18 0.00 -0.47 0.00 0.00 55.73 57.01 1wh0 s ARG 114 Cb -0.14 -1.95 -0.24 0.00 -0.57 0.00 0.00 34.95 32.05 1wh0 s ARG 114 CO -0.08 -1.20 0.34 0.91 -1.08 0.00 0.00 175.30 174.19 1wh0 n TRP 115 N -2.05 0.29 -1.17 5.89 8.01 -1.26 -5.01 117.44 122.14 1wh0 n TRP 115 Ca 0.11 0.10 0.00 0.00 -1.31 0.00 0.00 57.50 56.40 1wh0 n TRP 115 Cb 0.51 -0.95 0.00 0.00 -2.01 0.00 0.00 31.31 28.86 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 1.58 1.03 0.00 6.99 0.00 -1.26 -5.03 105.19 108.50 1wh0 n GLY 116 Ca -0.22 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.40 2.16 0.30 -0.02 0.00 -1.26 -5.01 105.19 100.95 1wh0 n GLY 117 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.41-10.03 0.99 5.85 -1.95 -3.40 115.31 106.35 1wh0 h LEU 118 Ca 0.00 0.22 -0.55 0.00 0.84 0.00 0.00 57.88 58.39 1wh0 h LEU 118 Cb 0.00 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1wh0 h LEU 118 CO 0.00 -0.23 -0.32 -1.61 -0.34 0.00 0.00 178.44 175.94 1wh0 s GLU 119 N -6.10 3.55 0.36 1.25 0.41 -1.26 -4.01 118.70 112.91 1wh0 s GLU 119 Ca -0.13 -0.27 -0.26 0.00 -0.41 0.00 0.00 54.97 53.90 1wh0 s GLU 119 Cb 0.24 -2.83 -0.09 0.00 -1.78 0.00 0.00 34.13 29.67 1wh0 s GLU 119 CO 0.76 0.41 1.10 0.00 -0.49 0.00 0.00 175.26 177.04 1wh0 s ALA 120 N -1.83 3.21 1.10 5.21 0.00 -0.24 -4.81 121.76 124.40 1wh0 s ALA 120 Ca 0.39 0.85 -0.09 0.00 0.00 0.00 0.00 51.96 53.12 1wh0 s ALA 120 Cb -0.11 -3.32 0.13 0.00 0.00 0.00 0.00 23.12 19.81 1wh0 s ALA 120 CO 0.28 -0.30 0.45 -0.35 0.00 0.00 0.00 175.76 175.84 1wh0 n PRO 121 N 0.37 -1.89 -3.23 0.00 -0.04 -1.26 -4.46 135.00 124.49 1wh0 n PRO 121 Ca 0.03 -0.72 -0.17 0.00 -0.04 0.00 0.00 63.50 62.60 1wh0 n PRO 121 Cb 0.47 -0.67 0.05 0.00 -0.04 0.00 0.00 33.50 33.31 1wh0 n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wh0 n ALA 122 N -3.77 -0.92 -3.09 0.55 0.00 -1.26 -5.00 120.51 107.02 1wh0 n ALA 122 Ca -0.08 0.29 -0.36 0.00 0.00 0.00 0.00 53.44 53.28 1wh0 n ALA 122 Cb 0.24 -4.00 -0.13 0.00 0.00 0.00 0.00 19.45 15.57 1wh0 n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wh0 s ALA 123 N -3.20 3.13 -0.81 0.00 0.00 -1.26 -5.05 121.76 114.57 1wh0 s ALA 123 Ca 0.40 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 1wh0 s ALA 123 Cb -0.18 -2.02 0.21 0.00 0.00 0.00 0.00 23.12 21.14 1wh0 s ALA 123 CO 0.49 -0.43 0.73 0.50 0.00 0.00 0.00 175.76 177.05 1wh0 s ARG 124 N 1.51 3.47 -0.04 0.00 3.52 -1.26 -5.00 118.95 121.15 1wh0 s ARG 124 Ca 0.06 -2.53 -0.01 0.00 -0.13 0.00 0.00 55.73 53.12 1wh0 s ARG 124 Cb -0.15 -4.32 0.03 0.00 -1.56 0.00 0.00 34.95 28.95 1wh0 s ARG 124 CO 0.03 -1.27 0.04 0.54 -0.81 0.00 0.00 175.30 173.83 1wh0 s VAL 125 N 0.02 0.01 -0.30 7.11 0.11 -1.26 -5.10 120.40 121.00 1wh0 s VAL 125 Ca 0.19 0.29 -0.10 0.00 -2.93 0.00 0.00 61.98 59.43 1wh0 s VAL 125 Cb -0.12 -0.20 0.19 0.00 -1.53 0.00 0.00 36.38 34.72 1wh0 s VAL 125 CO -0.08 0.16 1.00 -0.83 -3.33 0.00 0.00 175.10 172.03 1wh0 s GLY 126 N 1.72 -0.96 0.00 6.54 0.00 -1.26 -5.11 107.32 108.25 1wh0 s GLY 126 Ca -0.00 2.01 0.00 0.00 0.00 0.00 0.00 44.72 46.73 1wh0 s GLY 126 CO -0.03 4.07 0.00 0.61 0.00 0.00 0.00 173.10 177.74 1wh0 n GLY 127 N 5.14 0.36 3.10 0.20 0.00 -1.26 -5.01 105.19 107.72 1wh0 n GLY 127 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 1wh0 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 n ALA 128 N -2.09 -2.82 -2.60 4.61 0.00 -1.26 -4.94 120.51 111.41 1wh0 n ALA 128 Ca 0.00 -1.16 -0.25 0.00 0.00 0.00 0.00 53.44 52.03 1wh0 n ALA 128 Cb 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 1wh0 n ALA 128 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wh0 n SER 129 N -0.32 4.22 0.00 0.00 3.41 -1.26 -5.05 113.62 114.62 1wh0 n SER 129 Ca 0.02 -3.59 0.00 0.00 -0.26 0.00 0.00 58.87 55.04 1wh0 n SER 129 Cb 0.52 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 1wh0 n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh0 n GLY 130 N -0.37 3.00 3.45 5.00 0.00 -1.26 -5.10 105.19 109.90 1wh0 n GLY 130 Ca 0.34 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 1wh0 n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wh0 n PRO 131 N 0.34 -3.12 -3.78 1.61 -0.04 -1.26 -5.10 135.00 123.65 1wh0 n PRO 131 Ca 0.00 -1.72 -0.12 0.00 -0.04 0.00 0.00 63.50 61.62 1wh0 n PRO 131 Cb 0.00 -1.61 -0.08 0.00 -0.04 0.00 0.00 33.50 31.76 1wh0 n PRO 131 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wh0 s SER 132 N -4.40 -0.12 0.50 3.54 0.01 -1.26 -5.17 113.70 106.80 1wh0 s SER 132 Ca 0.70 -0.10 -0.02 0.00 1.31 0.00 0.00 55.95 57.85 1wh0 s SER 132 Cb -0.07 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1wh0 s SER 132 CO 0.54 -0.51 0.75 -0.94 0.41 0.00 0.00 173.24 173.48 1wh0 s SER 133 N -1.69 5.72 0.00 2.44 1.04 -1.26 -5.32 113.70 114.64 1wh0 s SER 133 Ca -0.10 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1wh0 s SER 133 Cb -0.03 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.55 1wh0 s SER 133 CO 0.00 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.99