#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 3.70 -4.66 1.61 7.64 -1.26 -5.08 113.62 115.57 1wh0 n SER 2 Ca 0.00 -3.23 -0.24 0.00 1.01 0.00 0.00 58.87 56.41 1wh0 n SER 2 Cb 0.00 -0.42 0.11 0.00 -1.01 0.00 0.00 64.21 62.88 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 -3.57 4.33 1.03 6.43 0.15 -1.26 -5.07 113.70 115.73 1wh0 s SER 3 Ca 0.42 -0.26 -0.14 0.00 0.70 0.00 0.00 55.95 56.67 1wh0 s SER 3 Cb 0.39 -0.13 0.19 0.00 -1.71 0.00 0.00 66.02 64.77 1wh0 s SER 3 CO -0.03 -1.88 0.40 0.61 1.20 0.00 0.00 173.24 173.54 1wh0 n GLY 4 N -2.88 -2.55 3.45 9.45 0.00 -1.26 -4.98 105.19 106.43 1wh0 n GLY 4 Ca 0.14 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1wh0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh0 s SER 5 N -2.06 4.58 0.12 1.61 0.15 -1.26 -5.10 113.70 111.72 1wh0 s SER 5 Ca 0.37 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.80 1wh0 s SER 5 Cb -0.06 -1.74 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 1wh0 s SER 5 CO 0.32 0.15 0.06 -0.94 1.20 0.00 0.00 173.24 174.04 1wh0 s SER 6 N 0.45 0.31 0.00 5.45 1.04 -1.26 -5.08 113.70 114.61 1wh0 s SER 6 Ca -0.05 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.26 1wh0 s SER 6 Cb -0.15 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1wh0 s SER 6 CO 0.03 -0.72 0.85 0.61 0.98 0.00 0.00 173.24 174.99 1wh0 n GLY 7 N -0.06 -3.16 3.75 7.32 0.00 -1.26 -4.73 105.19 107.05 1wh0 n GLY 7 Ca -0.08 0.62 -0.29 0.00 0.00 0.00 0.00 46.02 46.27 1wh0 n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wh0 s VAL 8 N -2.52 1.71 -0.80 1.61 -7.23 -1.26 -5.04 120.40 106.87 1wh0 s VAL 8 Ca 0.00 -1.84 -0.02 0.00 -1.81 0.00 0.00 61.98 58.31 1wh0 s VAL 8 Cb 0.00 -2.55 0.29 0.00 0.56 0.00 0.00 36.38 34.68 1wh0 s VAL 8 CO 0.00 0.00 2.16 -0.67 -0.31 0.00 0.00 175.10 176.28 1wh0 n ASP 9 N -1.28 7.34 -3.91 4.85 2.03 -1.26 -4.93 116.55 119.39 1wh0 n ASP 9 Ca -0.09 -3.70 -0.11 0.00 0.52 0.00 0.00 54.79 51.42 1wh0 n ASP 9 Cb 0.66 -1.11 -0.12 0.00 -0.72 0.00 0.00 41.12 39.82 1wh0 n ASP 9 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1wh0 s GLU 10 N -3.61 0.18 0.00 -0.67 2.02 -1.26 -5.02 118.70 110.34 1wh0 s GLU 10 Ca 0.52 -0.28 0.12 0.00 0.02 0.00 0.00 54.97 55.36 1wh0 s GLU 10 Cb 0.41 0.07 0.70 0.00 0.10 0.00 0.00 34.13 35.41 1wh0 s GLU 10 CO -0.36 -0.03 1.13 -0.35 0.02 0.00 0.00 175.26 175.67 1wh0 n PRO 11 N 2.33 0.49 -0.31 0.39 -0.04 -1.26 -4.12 135.00 132.48 1wh0 n PRO 11 Ca -0.18 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.21 1wh0 n PRO 11 Cb 0.57 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.60 1wh0 n PRO 11 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wh0 n GLU 12 N -0.88 -0.30 -0.33 0.54 0.28 -1.26 0.23 120.64 118.92 1wh0 n GLU 12 Ca 0.09 1.13 0.17 0.00 -0.16 0.00 0.00 57.16 58.40 1wh0 n GLU 12 Cb 0.04 -1.67 0.41 0.00 1.43 0.00 0.00 31.44 31.65 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 0.63 -4.24 -1.84 0.87 -2.00 -3.41 113.55 103.57 1wh0 h SER 13 Ca 0.14 0.10 -0.49 0.00 -1.23 0.00 0.00 61.79 60.31 1wh0 h SER 13 Cb 0.33 -0.01 0.05 0.00 -0.44 0.00 0.00 62.40 62.33 1wh0 h SER 13 CO -0.71 0.17 0.38 -0.04 -0.53 0.00 0.00 176.83 176.10 1wh0 s MET 14 N -5.69 3.53 -0.12 2.24 -1.94 0.64 -4.90 119.30 113.07 1wh0 s MET 14 Ca -0.10 1.02 -0.10 0.00 -1.71 0.00 0.00 55.69 54.79 1wh0 s MET 14 Cb 0.25 -2.07 -0.05 0.00 2.01 0.00 0.00 34.83 34.98 1wh0 s MET 14 CO 0.80 -0.62 0.22 0.08 -0.01 0.00 0.00 175.02 175.49 1wh0 s VAL 15 N -2.70 5.35 -0.19 -6.03 1.01 0.14 -4.96 120.40 113.03 1wh0 s VAL 15 Ca 0.60 0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.91 1wh0 s VAL 15 Cb -0.13 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1wh0 s VAL 15 CO 0.40 0.54 0.05 0.20 0.00 0.00 0.00 175.10 176.29 1wh0 s ASN 16 N -0.53 5.47 0.27 3.32 0.01 -1.26 0.38 114.94 122.60 1wh0 s ASN 16 Ca 0.16 0.02 -0.24 0.00 -0.71 0.00 0.00 52.86 52.09 1wh0 s ASN 16 Cb -0.13 -1.94 -0.09 0.00 0.41 0.00 0.00 41.25 39.50 1wh0 s ASN 16 CO 0.05 0.15 0.85 -0.76 -1.51 0.00 0.00 177.10 175.88 1wh0 s LEU 17 N 0.53 4.37 -0.22 0.60 1.43 0.10 -4.85 118.68 120.64 1wh0 s LEU 17 Ca 0.02 1.67 0.06 0.00 -1.03 0.00 0.00 54.13 54.85 1wh0 s LEU 17 Cb -0.13 -3.79 -0.20 0.00 0.03 0.00 0.00 46.19 42.10 1wh0 s LEU 17 CO 0.01 -0.00 -0.07 0.00 0.23 0.00 0.00 176.35 176.52 1wh0 n ALA 18 N 0.72 1.40 -3.68 4.21 0.00 -1.26 -4.55 120.51 117.36 1wh0 n ALA 18 Ca -0.00 -1.10 -0.14 0.00 0.00 0.00 0.00 53.44 52.19 1wh0 n ALA 18 Cb 0.50 -0.20 -0.14 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.52 -0.33 -0.12 0.00 5.36 -1.26 -5.07 117.98 114.04 1wh0 s PHE 19 Ca -0.26 0.82 0.03 0.00 -0.96 0.00 0.00 56.93 56.56 1wh0 s PHE 19 Cb 0.08 -0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.67 1wh0 s PHE 19 CO 0.68 -0.31 -0.21 0.08 -1.46 0.00 0.00 175.22 174.00 1wh0 s VAL 20 N 2.20 2.26 -0.37 3.12 1.01 -1.26 -5.07 120.40 122.29 1wh0 s VAL 20 Ca 0.00 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.77 1wh0 s VAL 20 Cb -0.12 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1wh0 s VAL 20 CO -0.08 0.55 2.06 -0.75 0.00 0.00 0.00 175.10 176.88 1wh0 s LYS 21 N 0.53 2.92 0.23 2.72 2.36 -1.26 -4.91 119.74 122.33 1wh0 s LYS 21 Ca -0.13 1.49 -0.15 0.00 -2.55 0.00 0.00 55.97 54.62 1wh0 s LYS 21 Cb -0.17 -4.36 0.01 0.00 -1.05 0.00 0.00 37.83 32.26 1wh0 s LYS 21 CO 0.04 -2.35 0.52 0.54 1.55 0.00 0.00 175.35 175.66 1wh0 s ASN 22 N 8.29 -0.16 -0.09 1.43 6.03 -1.26 -0.44 114.94 128.74 1wh0 s ASN 22 Ca 0.88 -0.74 -0.04 0.00 -1.03 0.00 0.00 52.86 51.93 1wh0 s ASN 22 Cb -0.23 0.60 0.05 0.00 -3.03 0.00 0.00 41.25 38.64 1wh0 s ASN 22 CO 0.31 -1.14 0.19 -1.81 -2.03 0.00 0.00 177.10 172.62 1wh0 s ASP 23 N -2.96 0.35 -0.07 3.54 1.01 0.15 -4.93 116.67 113.76 1wh0 s ASP 23 Ca 0.16 0.42 0.04 0.00 0.71 0.00 0.00 52.55 53.88 1wh0 s ASP 23 Cb -0.01 0.38 -0.02 0.00 1.01 0.00 0.00 42.92 44.28 1wh0 s ASP 23 CO 0.05 -0.21 -0.18 -0.94 0.21 0.00 0.00 175.17 174.10 1wh0 s SER 24 N 1.96 3.72 0.18 0.27 1.04 -1.26 0.48 113.70 120.09 1wh0 s SER 24 Ca -0.01 -0.32 0.11 0.00 0.48 0.00 0.00 55.95 56.21 1wh0 s SER 24 Cb -0.12 -0.98 -0.04 0.00 0.10 0.00 0.00 66.02 64.98 1wh0 s SER 24 CO -0.07 0.28 -0.25 -0.72 0.98 0.00 0.00 173.24 173.46 1wh0 s TYR 25 N -0.34 2.30 -0.47 5.02 -0.85 -0.25 -4.98 117.35 117.78 1wh0 s TYR 25 Ca 0.03 -0.36 -0.28 0.00 -0.52 0.00 0.00 57.07 55.93 1wh0 s TYR 25 Cb -0.13 -1.17 0.00 0.00 0.38 0.00 0.00 41.96 41.05 1wh0 s TYR 25 CO 0.02 0.46 1.51 -1.21 -1.52 0.00 0.00 175.55 174.82 1wh0 s GLU 26 N -2.51 3.35 0.17 -3.49 8.01 -1.26 -2.38 118.70 120.58 1wh0 s GLU 26 Ca 0.19 0.80 0.02 0.00 0.01 0.00 0.00 54.97 55.98 1wh0 s GLU 26 Cb -0.08 -4.12 -0.04 0.00 -4.31 0.00 0.00 34.13 25.58 1wh0 s GLU 26 CO 0.09 -1.86 0.33 0.21 0.01 0.00 0.00 175.26 174.04 1wh0 s LYS 27 N 5.46 3.47 0.00 1.61 2.20 0.35 -4.97 119.74 127.85 1wh0 s LYS 27 Ca 0.61 -0.52 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 1wh0 s LYS 27 Cb -0.14 -2.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1wh0 s LYS 27 CO 0.29 0.47 0.00 0.41 -0.36 0.00 0.00 175.35 176.16 1wh0 n GLY 28 N -0.66 0.50 0.08 5.54 0.00 -1.26 -0.65 105.19 108.74 1wh0 n GLY 28 Ca -0.06 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.03 -3.37 132.00 128.26 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 0.38 -0.14 -0.25 -0.23 0.00 0.00 178.00 177.76 1wh0 n ASP 30 N -4.90 1.35 -4.81 1.44 9.92 -1.25 -4.63 116.55 113.67 1wh0 n ASP 30 Ca -0.08 -2.34 -0.37 0.00 -0.53 0.00 0.00 54.79 51.46 1wh0 n ASP 30 Cb 0.25 -0.24 -0.06 0.00 -0.64 0.00 0.00 41.12 40.43 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 -1.68 7.08 -0.17 -2.24 0.01 0.17 -0.05 113.70 116.83 1wh0 s SER 31 Ca 0.14 1.37 -0.04 0.00 1.31 0.00 0.00 55.95 58.73 1wh0 s SER 31 Cb 0.12 -2.40 0.06 0.00 0.21 0.00 0.00 66.02 64.01 1wh0 s SER 31 CO 0.01 0.13 0.07 -0.69 0.41 0.00 0.00 173.24 173.17 1wh0 s VAL 32 N -1.36 0.07 -0.15 3.43 1.01 0.09 0.13 120.40 123.63 1wh0 s VAL 32 Ca 0.38 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 1wh0 s VAL 32 Cb -0.18 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 1wh0 s VAL 32 CO 0.21 -0.25 0.26 -0.69 0.00 0.00 0.00 175.10 174.63 1wh0 s VAL 33 N 2.06 5.32 -0.07 2.92 1.01 -1.00 -0.47 120.40 130.18 1wh0 s VAL 33 Ca 0.01 0.48 0.01 0.00 0.00 0.00 0.00 61.98 62.48 1wh0 s VAL 33 Cb -0.16 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1wh0 s VAL 33 CO -0.09 0.43 -0.08 -0.69 0.00 0.00 0.00 175.10 174.67 1wh0 s VAL 34 N 0.22 3.58 -0.33 2.92 1.01 -0.99 -1.09 120.40 125.73 1wh0 s VAL 34 Ca 0.15 -0.52 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1wh0 s VAL 34 Cb -0.13 -2.46 0.09 0.00 0.00 0.00 0.00 36.38 33.88 1wh0 s VAL 34 CO 0.03 0.59 0.03 -1.00 0.00 0.00 0.00 175.10 174.76 1wh0 s HIS 35 N -0.73 3.62 -0.23 5.22 3.76 0.18 -2.69 115.29 124.42 1wh0 s HIS 35 Ca 0.11 -2.74 -0.17 0.00 -0.15 0.00 0.00 55.06 52.11 1wh0 s HIS 35 Cb -0.11 -2.71 -0.03 0.00 1.11 0.00 0.00 32.58 30.84 1wh0 s HIS 35 CO 0.01 -0.93 0.48 0.08 -0.85 0.00 0.00 174.74 173.54 1wh0 s VAL 36 N 0.99 5.11 -0.62 -0.90 1.01 -0.63 0.30 120.40 125.66 1wh0 s VAL 36 Ca 0.06 0.84 -0.28 0.00 0.00 0.00 0.00 61.98 62.60 1wh0 s VAL 36 Cb -0.20 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.40 1wh0 s VAL 36 CO -0.07 0.15 1.32 -0.31 0.00 0.00 0.00 175.10 176.19 1wh0 s TYR 37 N 1.92 2.36 -0.22 5.22 1.51 0.42 -0.96 117.35 127.60 1wh0 s TYR 37 Ca 0.21 0.32 -0.28 0.00 -1.01 0.00 0.00 57.07 56.31 1wh0 s TYR 37 Cb -0.15 -4.49 0.14 0.00 -0.11 0.00 0.00 41.96 37.34 1wh0 s TYR 37 CO 0.09 -1.89 1.08 0.54 -1.11 0.00 0.00 175.55 174.26 1wh0 s VAL 38 N 5.73 0.00 0.41 0.71 0.11 -0.89 -4.77 120.40 121.69 1wh0 s VAL 38 Ca 0.45 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.54 1wh0 s VAL 38 Cb -0.09 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 1wh0 s VAL 38 CO 0.22 0.00 0.14 -0.54 -3.33 0.00 0.00 175.10 171.59 1wh0 s LYS 39 N -0.58 1.92 -1.32 1.54 1.02 -1.26 -2.89 119.74 118.17 1wh0 s LYS 39 Ca 0.01 -2.17 -0.03 0.00 0.02 0.00 0.00 55.97 53.81 1wh0 s LYS 39 Cb -0.02 -0.57 -0.00 0.00 -0.52 0.00 0.00 37.83 36.72 1wh0 s LYS 39 CO -0.03 -0.49 0.59 0.39 -0.92 0.00 0.00 175.35 174.89 1wh0 n GLU 40 N -0.90 -3.69 -3.98 1.68 1.02 -1.26 -3.69 120.64 109.82 1wh0 n GLU 40 Ca -0.05 0.51 -0.29 0.00 -0.02 0.00 0.00 57.16 57.31 1wh0 n GLU 40 Cb 0.65 -4.77 -0.04 0.00 -0.02 0.00 0.00 31.44 27.26 1wh0 n GLU 40 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1wh0 s ILE 41 N -3.77 5.07 -0.48 -3.67 1.01 -1.26 -0.87 121.20 117.22 1wh0 s ILE 41 Ca 0.07 -0.64 -0.15 0.00 0.00 0.00 0.00 60.65 59.93 1wh0 s ILE 41 Cb -0.02 -3.52 0.09 0.00 0.01 0.00 0.00 42.46 39.02 1wh0 s ILE 41 CO 0.85 0.04 0.41 0.00 0.00 0.00 0.00 174.94 176.24 1wh0 n ARG 43 N 5.17 0.52 -0.04 0.00 1.74 -1.26 -0.99 116.66 121.79 1wh0 n ARG 43 Ca -0.12 0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 56.86 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 -1.03 0.91 -0.30 0.55 9.92 -1.26 -4.30 116.55 121.04 1wh0 n ASP 44 Ca 0.13 0.27 0.03 0.00 -0.53 0.00 0.00 54.79 54.68 1wh0 n ASP 44 Cb 0.07 0.05 0.08 0.00 -0.64 0.00 0.00 41.12 40.68 1wh0 n ASP 44 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1wh0 n THR 45 N -3.05 1.10 -3.92 -3.53 -2.24 -0.98 -4.96 114.28 96.70 1wh0 n THR 45 Ca -0.24 -1.10 -0.35 0.00 -2.27 0.00 0.00 64.05 60.09 1wh0 n THR 45 Cb 1.07 0.43 -0.14 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.14 4.25 0.48 3.42 0.01 -0.16 -4.52 113.70 116.05 1wh0 s SER 46 Ca 0.13 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 57.01 1wh0 s SER 46 Cb 0.08 -1.73 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 1wh0 s SER 46 CO 0.07 -0.02 0.06 0.00 0.41 0.00 0.00 173.24 173.76 1wh0 s ARG 47 N 1.47 2.13 -0.16 12.44 1.70 0.52 -4.80 118.95 132.24 1wh0 s ARG 47 Ca 0.06 -2.35 -0.04 0.00 -0.47 0.00 0.00 55.73 52.92 1wh0 s ARG 47 Cb -0.14 -1.12 0.08 0.00 -0.57 0.00 0.00 34.95 33.20 1wh0 s ARG 47 CO -0.04 -0.46 0.25 0.08 -1.08 0.00 0.00 175.30 174.06 1wh0 s VAL 48 N -3.01 -0.39 -0.22 4.99 1.01 -1.26 -0.67 120.40 120.84 1wh0 s VAL 48 Ca 0.10 0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.98 1wh0 s VAL 48 Cb 0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 1wh0 s VAL 48 CO 0.07 -0.01 0.70 -0.76 0.00 0.00 0.00 175.10 175.10 1wh0 s LEU 49 N 2.39 4.10 -0.42 3.92 1.02 0.32 -4.94 118.68 125.07 1wh0 s LEU 49 Ca 0.04 0.88 -0.12 0.00 0.02 0.00 0.00 54.13 54.95 1wh0 s LEU 49 Cb -0.14 -2.99 0.06 0.00 0.02 0.00 0.00 46.19 43.14 1wh0 s LEU 49 CO -0.10 -0.38 0.29 -0.36 0.02 0.00 0.00 176.35 175.82 1wh0 s PHE 50 N 2.37 3.27 0.45 0.29 0.08 -1.26 -0.03 117.98 123.14 1wh0 s PHE 50 Ca 0.30 -1.10 0.05 0.00 0.12 0.00 0.00 56.93 56.30 1wh0 s PHE 50 Cb -0.16 -2.84 0.08 0.00 -0.57 0.00 0.00 43.02 39.53 1wh0 s PHE 50 CO 0.09 -0.75 0.62 0.54 -0.10 0.00 0.00 175.22 175.61 1wh0 n ARG 51 N 5.05 0.56 0.08 0.44 5.12 -0.02 -4.61 116.66 123.27 1wh0 n ARG 51 Ca -0.11 -2.19 -0.23 0.00 -1.93 0.00 0.00 57.85 53.39 1wh0 n ARG 51 Cb 0.44 -0.25 -0.15 0.00 -1.16 0.00 0.00 32.46 31.34 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 0.40 -0.04 5.56 4.11 -1.98 -3.33 114.58 119.30 1wh0 h GLU 52 Ca -0.21 -0.68 -0.01 0.00 0.07 0.00 0.00 59.36 58.53 1wh0 h GLU 52 Cb 0.90 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1wh0 h GLU 52 CO 0.27 1.33 -0.09 0.94 0.07 0.00 0.00 179.01 181.53 1wh0 n GLN 53 N -3.64 1.51 -3.62 1.06 7.27 -1.26 0.16 117.38 118.85 1wh0 n GLN 53 Ca -0.24 -2.75 -0.00 0.00 0.07 0.00 0.00 57.00 54.08 1wh0 n GLN 53 Cb 1.06 -1.56 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 -1.29 -1.28 -3.31 1.69 5.75 -1.26 -2.20 116.55 114.65 1wh0 n ASP 54 Ca 0.18 -1.51 0.03 0.00 -0.01 0.00 0.00 54.79 53.47 1wh0 n ASP 54 Cb 0.69 2.04 -0.03 0.00 -1.03 0.00 0.00 41.12 42.79 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 -2.40 -0.98 0.10 2.11 -0.12 -1.10 -0.84 117.98 114.75 1wh0 s PHE 55 Ca 0.23 1.33 -0.14 0.00 -0.05 0.00 0.00 56.93 58.30 1wh0 s PHE 55 Cb -0.02 0.45 -0.06 0.00 -0.63 0.00 0.00 43.02 42.76 1wh0 s PHE 55 CO 0.02 -0.51 0.50 0.99 -0.05 0.00 0.00 175.22 176.17 1wh0 s THR 56 N 2.76 4.91 -0.29 -4.49 2.01 0.95 -2.97 115.64 118.52 1wh0 s THR 56 Ca 0.03 0.80 0.01 0.00 0.31 0.00 0.00 61.69 62.85 1wh0 s THR 56 Cb -0.10 -3.73 0.09 0.00 0.01 0.00 0.00 72.50 68.76 1wh0 s THR 56 CO -0.17 0.34 0.03 -0.22 -0.69 0.00 0.00 174.62 173.92 1wh0 s LEU 57 N -1.70 3.05 -0.34 4.42 2.96 -0.53 0.12 118.68 126.66 1wh0 s LEU 57 Ca 0.33 -1.61 -0.12 0.00 -0.22 0.00 0.00 54.13 52.52 1wh0 s LEU 57 Cb -0.16 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.34 1wh0 s LEU 57 CO 0.18 -0.34 0.22 -0.63 -1.32 0.00 0.00 176.35 174.46 1wh0 s ILE 58 N 1.34 5.11 -0.15 6.68 1.09 0.15 -1.75 121.20 133.68 1wh0 s ILE 58 Ca 0.04 -0.29 -0.13 0.00 -1.10 0.00 0.00 60.65 59.18 1wh0 s ILE 58 Cb -0.18 -3.63 0.04 0.00 -1.06 0.00 0.00 42.46 37.63 1wh0 s ILE 58 CO -0.13 -0.01 0.39 0.72 -0.10 0.00 0.00 174.94 175.81 1wh0 s PHE 59 N 1.69 -0.45 -0.42 3.97 -0.12 -0.92 0.19 117.98 121.93 1wh0 s PHE 59 Ca 0.06 1.07 -0.13 0.00 -0.05 0.00 0.00 56.93 57.87 1wh0 s PHE 59 Cb -0.17 0.16 0.05 0.00 -0.63 0.00 0.00 43.02 42.42 1wh0 s PHE 59 CO 0.09 -0.22 0.29 -0.65 -0.05 0.00 0.00 175.22 174.68 1wh0 s GLN 60 N 0.39 2.86 -0.08 1.99 -0.21 -1.26 -3.54 119.66 119.81 1wh0 s GLN 60 Ca -0.02 -1.21 -0.05 0.00 0.02 0.00 0.00 55.36 54.10 1wh0 s GLN 60 Cb -0.04 -3.91 -0.04 0.00 1.00 0.00 0.00 33.01 30.03 1wh0 s GLN 60 CO -0.01 -0.85 0.14 -0.08 -2.12 0.00 0.00 175.29 172.37 1wh0 s THR 61 N 1.58 5.38 -0.67 -0.19 -1.32 -1.26 -2.55 115.64 116.61 1wh0 s THR 61 Ca 0.03 0.05 0.07 0.00 -1.21 0.00 0.00 61.69 60.63 1wh0 s THR 61 Cb -0.21 -3.39 0.15 0.00 -1.51 0.00 0.00 72.50 67.53 1wh0 s THR 61 CO 0.07 0.53 1.02 -2.11 -2.21 0.00 0.00 174.62 171.91 1wh0 n ARG 62 N 1.67 1.97 -1.93 7.08 1.85 -0.05 -4.25 116.66 123.00 1wh0 n ARG 62 Ca -0.17 -1.54 -0.43 0.00 -1.00 0.00 0.00 57.85 54.71 1wh0 n ARG 62 Cb 0.54 -1.16 -0.03 0.00 -1.05 0.00 0.00 32.46 30.77 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 -0.86 5.83 0.56 2.89 2.15 -1.24 -4.84 116.67 121.16 1wh0 s ASP 63 Ca 0.12 1.43 0.35 0.00 0.43 0.00 0.00 52.55 54.88 1wh0 s ASP 63 Cb 0.07 -2.52 1.48 0.00 -0.30 0.00 0.00 42.92 41.64 1wh0 s ASP 63 CO 0.09 -1.74 1.75 1.23 -0.17 0.00 0.00 175.17 176.34 1wh0 h GLY 64 N 13.86 0.00 1.72 2.66 0.00 -1.93 0.81 103.07 120.19 1wh0 h GLY 64 Ca -0.35 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 1wh0 h GLY 64 CO 1.02 0.00 -0.49 3.43 0.00 0.00 0.00 176.54 180.49 1wh0 h ASN 65 N 0.00 0.33 0.39 0.19 2.35 -1.98 0.21 115.58 117.06 1wh0 h ASN 65 Ca 0.51 -0.16 -0.32 0.00 -0.55 0.00 0.00 56.30 55.78 1wh0 h ASN 65 Cb 2.22 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 40.47 1wh0 h ASN 65 CO -0.01 0.77 -1.70 0.15 -1.65 0.00 0.00 177.43 175.00 1wh0 h PHE 66 N 0.24 0.33 0.02 1.19 3.04 0.12 -3.36 116.94 118.51 1wh0 h PHE 66 Ca 0.01 -0.24 -0.00 0.00 3.98 0.00 0.00 57.97 61.72 1wh0 h PHE 66 Cb 0.96 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.45 1wh0 h PHE 66 CO 0.02 1.38 -0.01 -0.07 -2.02 0.00 0.00 178.31 177.61 1wh0 h LEU 67 N 0.05 -0.02 -0.94 0.59 3.38 -0.79 -3.25 115.31 114.33 1wh0 h LEU 67 Ca -0.30 -0.56 0.25 0.00 0.09 0.00 0.00 57.88 57.36 1wh0 h LEU 67 Cb 2.01 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 42.60 1wh0 h LEU 67 CO 0.12 0.55 0.02 0.03 0.09 0.00 0.00 178.44 179.26 1wh0 h ARG 68 N -0.60 0.04 -0.94 1.13 3.08 -1.13 0.89 114.38 116.84 1wh0 h ARG 68 Ca -0.00 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 1wh0 h ARG 68 Cb 0.57 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.55 1wh0 h ARG 68 CO 0.00 0.02 0.59 -0.07 -1.07 0.00 0.00 179.97 179.45 1wh0 h LEU 69 N 0.04 0.91 -7.64 3.04 3.38 -1.70 -3.29 115.31 110.05 1wh0 h LEU 69 Ca 0.56 0.03 -0.74 0.00 0.09 0.00 0.00 57.88 57.81 1wh0 h LEU 69 Cb 1.11 -0.16 -0.31 0.00 0.09 0.00 0.00 40.66 41.39 1wh0 h LEU 69 CO -0.87 0.55 -0.08 -1.00 0.09 0.00 0.00 178.44 177.14 1wh0 s HIS 70 N -6.02 3.68 0.83 1.13 3.76 0.31 -5.07 115.29 113.90 1wh0 s HIS 70 Ca -0.12 -2.46 -0.11 0.00 -0.15 0.00 0.00 55.06 52.21 1wh0 s HIS 70 Cb 0.20 -3.51 0.09 0.00 1.11 0.00 0.00 32.58 30.47 1wh0 s HIS 70 CO 0.80 -0.90 1.09 -1.25 -0.85 0.00 0.00 174.74 173.64 1wh0 s PRO 71 N -0.24 1.81 0.00 8.40 0.04 -1.24 -3.66 135.00 140.11 1wh0 s PRO 71 Ca 0.20 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1wh0 s PRO 71 Cb -0.14 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1wh0 s PRO 71 CO -0.07 -1.91 0.00 0.41 0.04 0.00 0.00 177.00 175.47 1wh0 n GLY 72 N -1.16 2.33 3.08 0.56 0.00 -1.26 -5.00 105.19 103.74 1wh0 n GLY 72 Ca 0.08 0.00 -0.26 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 -0.21 3.21 0.17 0.00 0.00 -1.26 -5.01 105.19 102.09 1wh0 n GLY 74 Ca -0.13 -1.12 0.01 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.41 1.61 0.13 -1.91 -2.63 132.00 128.80 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 0.47 0.00 -2.39 -0.23 0.00 0.00 178.00 175.85 1wh0 n HIS 76 N -3.93 0.54 -3.14 1.56 1.44 -1.26 -4.46 115.22 105.96 1wh0 n HIS 76 Ca -0.01 -0.27 -0.43 0.00 -2.01 0.00 0.00 57.72 54.99 1wh0 n HIS 76 Cb 0.50 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.54 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 -1.46 4.87 0.28 0.61 2.01 -0.99 -5.03 115.64 115.93 1wh0 s THR 77 Ca 0.30 0.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 1wh0 s THR 77 Cb 0.16 -4.18 -0.12 0.00 0.01 0.00 0.00 72.50 68.37 1wh0 s THR 77 CO 0.21 -0.58 1.56 0.41 -0.69 0.00 0.00 174.62 175.54 1wh0 n THR 78 N 5.79 0.98 -4.09 -0.82 -1.04 -1.26 -4.74 114.28 109.09 1wh0 n THR 78 Ca -0.02 -0.24 -0.33 0.00 -2.04 0.00 0.00 64.05 61.41 1wh0 n THR 78 Cb 0.48 -1.86 -0.16 0.00 -1.82 0.00 0.00 70.33 66.97 1wh0 n THR 78 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1wh0 s PHE 79 N 0.02 2.82 -0.24 -1.42 0.08 -1.23 -0.69 117.98 117.33 1wh0 s PHE 79 Ca 0.65 -1.61 -0.04 0.00 0.12 0.00 0.00 56.93 56.06 1wh0 s PHE 79 Cb -0.53 -1.94 -0.00 0.00 -0.57 0.00 0.00 43.02 39.98 1wh0 s PHE 79 CO 0.48 -0.79 -0.02 0.50 -0.10 0.00 0.00 175.22 175.29 1wh0 s ARG 80 N 1.30 3.26 -0.44 0.44 3.52 0.16 -2.17 118.95 125.02 1wh0 s ARG 80 Ca 0.04 -0.71 -0.07 0.00 -0.13 0.00 0.00 55.73 54.87 1wh0 s ARG 80 Cb -0.13 -3.07 0.11 0.00 -1.56 0.00 0.00 34.95 30.30 1wh0 s ARG 80 CO -0.12 -0.27 0.27 -0.46 -0.81 0.00 0.00 175.30 173.92 1wh0 s TRP 81 N 1.46 3.47 -0.22 5.12 -0.00 -0.72 0.01 118.94 128.07 1wh0 s TRP 81 Ca 0.04 -2.03 -0.17 0.00 -0.00 0.00 0.00 56.10 53.94 1wh0 s TRP 81 Cb -0.15 -3.29 -0.03 0.00 -0.00 0.00 0.00 33.47 29.99 1wh0 s TRP 81 CO -0.02 -0.96 0.47 -1.14 -0.00 0.00 0.00 176.95 175.29 1wh0 s GLN 82 N 1.29 4.14 -0.17 5.86 0.74 -1.26 -1.46 119.66 128.80 1wh0 s GLN 82 Ca 0.06 0.30 -0.01 0.00 0.05 0.00 0.00 55.36 55.76 1wh0 s GLN 82 Cb -0.24 -3.58 -0.01 0.00 1.10 0.00 0.00 33.01 30.27 1wh0 s GLN 82 CO -0.02 -0.18 -0.10 0.08 -0.55 0.00 0.00 175.29 174.52 1wh0 s VAL 83 N 1.75 3.10 -0.48 1.34 1.01 -1.16 -5.02 120.40 120.94 1wh0 s VAL 83 Ca 0.21 -0.62 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 1wh0 s VAL 83 Cb -0.15 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.92 1wh0 s VAL 83 CO 0.09 0.49 0.68 -0.75 0.00 0.00 0.00 175.10 175.61 1wh0 s LYS 84 N 0.81 3.22 -0.55 2.72 2.20 -1.26 -2.73 119.74 124.15 1wh0 s LYS 84 Ca -0.04 -0.57 -0.23 0.00 -0.36 0.00 0.00 55.97 54.77 1wh0 s LYS 84 Cb -0.15 -4.03 0.05 0.00 -1.51 0.00 0.00 37.83 32.19 1wh0 s LYS 84 CO 0.01 -1.17 0.90 -0.51 -0.36 0.00 0.00 175.35 174.22 1wh0 s LEU 85 N 2.92 4.23 0.30 5.43 1.43 -0.94 0.19 118.68 132.25 1wh0 s LEU 85 Ca 0.21 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.84 1wh0 s LEU 85 Cb -0.16 -2.75 0.69 0.00 0.03 0.00 0.00 46.19 44.00 1wh0 s LEU 85 CO 0.16 -1.20 1.54 0.54 0.23 0.00 0.00 176.35 177.63 1wh0 n ARG 86 N 7.31 -0.08 -3.37 1.70 1.74 -1.26 -4.41 116.66 118.28 1wh0 n ARG 86 Ca 0.00 1.49 -0.21 0.00 -0.77 0.00 0.00 57.85 58.36 1wh0 n ARG 86 Cb 0.47 -2.33 -0.00 0.00 -1.02 0.00 0.00 32.46 29.57 1wh0 n ARG 86 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1wh0 s ASN 87 N -5.06 6.02 0.87 0.55 2.47 -1.26 -5.10 114.94 113.44 1wh0 s ASN 87 Ca -0.13 0.10 -0.12 0.00 0.42 0.00 0.00 52.86 53.13 1wh0 s ASN 87 Cb 0.28 -1.54 0.11 0.00 -1.45 0.00 0.00 41.25 38.66 1wh0 s ASN 87 CO 0.77 -0.45 1.14 -0.76 -3.72 0.00 0.00 177.10 174.08 1wh0 s LEU 88 N -4.29 2.20 0.00 3.21 1.43 -1.26 -4.70 118.68 115.26 1wh0 s LEU 88 Ca 0.44 0.96 -0.06 0.00 -1.03 0.00 0.00 54.13 54.44 1wh0 s LEU 88 Cb -0.10 -3.36 0.02 0.00 0.03 0.00 0.00 46.19 42.79 1wh0 s LEU 88 CO 0.34 -2.32 0.58 2.30 0.23 0.00 0.00 176.35 177.48 1wh0 n ILE 89 N -3.61 0.00 -3.91 -0.59 -5.35 0.42 -3.88 119.36 102.44 1wh0 n ILE 89 Ca 0.07 -1.55 -0.32 0.00 -0.27 0.00 0.00 62.75 60.68 1wh0 n ILE 89 Cb 0.59 1.07 -0.13 0.00 -1.74 0.00 0.00 39.64 39.43 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 -2.58 1.97 0.17 6.28 0.41 -0.20 -4.63 118.70 120.11 1wh0 s GLU 90 Ca 0.25 -2.37 0.20 0.00 -0.41 0.00 0.00 54.97 52.64 1wh0 s GLU 90 Cb -0.02 -3.39 0.85 0.00 -1.78 0.00 0.00 34.13 29.79 1wh0 s GLU 90 CO 0.18 -1.08 1.62 -0.35 -0.49 0.00 0.00 175.26 175.14 1wh0 n PRO 91 N 3.56 0.12 0.25 0.39 -0.04 -1.25 -2.43 135.00 135.61 1wh0 n PRO 91 Ca 0.05 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 1wh0 n PRO 91 Cb 0.36 -1.74 0.56 0.00 -0.04 0.00 0.00 33.50 32.64 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 -3.05 114.58 115.24 1wh0 h GLU 92 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wh0 h GLU 92 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1wh0 h GLU 92 CO 0.00 0.09 -0.86 1.04 -1.00 0.00 0.00 179.01 178.28 1wh0 n GLN 93 N -3.21 2.36 -1.07 2.33 6.02 -1.02 -5.02 117.38 117.77 1wh0 n GLN 93 Ca 0.01 -0.04 -0.33 0.00 -0.01 0.00 0.00 57.00 56.63 1wh0 n GLN 93 Cb 0.37 -1.10 0.13 0.00 1.02 0.00 0.00 30.24 30.66 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 -2.16 0.02 -0.11 0.00 -4.23 -0.63 -5.00 115.64 103.54 1wh0 s THR 95 Ca 0.71 -0.20 0.02 0.00 -1.18 0.00 0.00 61.69 61.04 1wh0 s THR 95 Cb -0.29 -0.52 0.02 0.00 1.34 0.00 0.00 72.50 73.05 1wh0 s THR 95 CO 0.53 -0.11 -0.15 0.72 -0.54 0.00 0.00 174.62 175.07 1wh0 s PHE 96 N -0.44 1.94 -0.08 3.99 -0.12 -1.26 -0.98 117.98 121.02 1wh0 s PHE 96 Ca -0.06 -0.91 -0.05 0.00 -0.05 0.00 0.00 56.93 55.86 1wh0 s PHE 96 Cb -0.04 -1.40 0.03 0.00 -0.63 0.00 0.00 43.02 40.98 1wh0 s PHE 96 CO 0.02 -0.47 0.20 0.00 -0.05 0.00 0.00 175.22 174.92 1wh0 s PHE 98 N 0.77 3.79 0.07 0.00 0.40 -1.26 -0.87 117.98 120.89 1wh0 s PHE 98 Ca -0.06 1.66 0.01 0.00 -0.60 0.00 0.00 56.93 57.94 1wh0 s PHE 98 Cb -0.07 -2.81 0.01 0.00 0.51 0.00 0.00 43.02 40.66 1wh0 s PHE 98 CO -0.04 0.37 0.06 0.25 0.70 0.00 0.00 175.22 176.56 1wh0 n THR 99 N 1.06 0.00 0.00 0.64 -2.24 0.32 -4.87 114.28 109.19 1wh0 n THR 99 Ca -0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1wh0 n THR 99 Cb 0.49 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 -2.86 -0.10 -0.66 6.98 0.00 -1.26 -3.96 120.51 118.65 1wh0 n ALA 100 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.48 1wh0 n ALA 100 Cb 0.08 0.23 0.10 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.69 2.30 -4.00 0.00 3.41 -1.26 -4.80 113.62 107.58 1wh0 n SER 101 Ca 0.00 -2.67 -0.11 0.00 -0.26 0.00 0.00 58.87 55.83 1wh0 n SER 101 Cb 0.00 -0.28 -0.07 0.00 -0.26 0.00 0.00 64.21 63.60 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 -2.16 1.43 -0.00 4.33 1.70 -1.14 -2.10 118.95 121.01 1wh0 s ARG 102 Ca 0.21 -1.49 0.06 0.00 -0.47 0.00 0.00 55.73 54.04 1wh0 s ARG 102 Cb 0.18 0.38 -0.03 0.00 -0.57 0.00 0.00 34.95 34.91 1wh0 s ARG 102 CO 0.02 -0.55 -0.18 0.42 -1.08 0.00 0.00 175.30 173.94 1wh0 s ILE 103 N -3.98 2.75 -0.17 4.99 1.01 -0.13 0.12 121.20 125.79 1wh0 s ILE 103 Ca 0.31 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1wh0 s ILE 103 Cb 0.03 -2.09 0.01 0.00 0.01 0.00 0.00 42.46 40.41 1wh0 s ILE 103 CO 0.12 0.47 -0.18 -1.81 0.00 0.00 0.00 174.94 173.55 1wh0 s ASP 104 N -1.03 3.40 -0.25 3.58 1.11 -0.05 -1.61 116.67 121.83 1wh0 s ASP 104 Ca 0.13 -0.56 0.01 0.00 0.18 0.00 0.00 52.55 52.31 1wh0 s ASP 104 Cb -0.10 -1.52 0.07 0.00 1.07 0.00 0.00 42.92 42.43 1wh0 s ASP 104 CO 0.02 0.04 -0.02 -0.63 1.18 0.00 0.00 175.17 175.77 1wh0 s ILE 105 N 1.04 1.48 -0.43 0.77 1.01 -1.09 -1.36 121.20 122.61 1wh0 s ILE 105 Ca -0.01 -1.31 -0.27 0.00 0.00 0.00 0.00 60.65 59.06 1wh0 s ILE 105 Cb -0.14 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1wh0 s ILE 105 CO -0.05 -0.22 0.98 0.00 0.00 0.00 0.00 174.94 175.66 1wh0 s LEU 107 N 3.82 3.21 -0.13 0.00 1.43 0.38 -1.60 118.68 125.79 1wh0 s LEU 107 Ca 0.40 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.19 1wh0 s LEU 107 Cb -0.10 -1.79 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 1wh0 s LEU 107 CO 0.25 0.13 0.34 -0.60 0.23 0.00 0.00 176.35 176.69 1wh0 s ARG 108 N 0.62 4.20 0.19 1.70 6.06 -1.26 -0.73 118.95 129.73 1wh0 s ARG 108 Ca -0.02 0.19 -0.08 0.00 -2.50 0.00 0.00 55.73 53.32 1wh0 s ARG 108 Cb -0.14 -3.39 -0.07 0.00 0.06 0.00 0.00 34.95 31.41 1wh0 s ARG 108 CO 0.02 0.30 0.49 0.15 -2.50 0.00 0.00 175.30 173.76 1wh0 s LYS 109 N 0.26 3.76 0.28 5.12 1.02 0.93 -1.03 119.74 130.07 1wh0 s LYS 109 Ca 0.19 0.17 0.07 0.00 0.02 0.00 0.00 55.97 56.43 1wh0 s LYS 109 Cb -0.14 -2.75 0.38 0.00 -0.52 0.00 0.00 37.83 34.81 1wh0 s LYS 109 CO 0.06 0.39 1.64 0.00 -0.92 0.00 0.00 175.35 176.52 1wh0 h ARG 110 N 2.77 0.15 -2.75 1.68 3.08 -1.87 -3.44 114.38 114.00 1wh0 h ARG 110 Ca -0.47 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 59.39 1wh0 h ARG 110 Cb 1.17 0.01 -0.20 0.00 0.08 0.00 0.00 29.97 31.03 1wh0 h ARG 110 CO 0.70 0.65 -0.16 -0.65 -1.07 0.00 0.00 179.97 179.44 1wh0 s GLN 111 N -3.88 0.75 -1.08 0.04 -0.21 -1.26 -5.06 119.66 108.96 1wh0 s GLN 111 Ca -0.03 -0.01 -0.19 0.00 0.02 0.00 0.00 55.36 55.14 1wh0 s GLN 111 Cb 0.13 0.34 -0.07 0.00 1.00 0.00 0.00 33.01 34.41 1wh0 s GLN 111 CO 0.77 -0.21 2.00 0.45 -2.12 0.00 0.00 175.29 176.19 1wh0 n SER 112 N 1.33 3.22 -4.37 5.90 2.88 -1.26 -4.88 113.62 116.44 1wh0 n SER 112 Ca -0.20 -2.75 -0.25 0.00 -1.33 0.00 0.00 58.87 54.34 1wh0 n SER 112 Cb 0.56 -1.41 -0.12 0.00 -0.75 0.00 0.00 64.21 62.49 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 4.56 1.36 0.02 -1.46 1.03 -1.26 -5.09 119.66 118.82 1wh0 s GLN 113 Ca 0.55 -1.41 -0.30 0.00 0.04 0.00 0.00 55.36 54.24 1wh0 s GLN 113 Cb 0.12 -1.61 -0.08 0.00 0.03 0.00 0.00 33.01 31.46 1wh0 s GLN 113 CO 0.05 0.35 1.86 0.50 -2.54 0.00 0.00 175.29 175.52 1wh0 s ARG 114 N -2.53 4.15 0.17 9.60 3.52 -1.26 -4.88 118.95 127.73 1wh0 s ARG 114 Ca 0.16 2.50 0.07 0.00 -0.13 0.00 0.00 55.73 58.33 1wh0 s ARG 114 Cb -0.08 -4.04 -0.01 0.00 -1.56 0.00 0.00 34.95 29.26 1wh0 s ARG 114 CO 0.07 -0.91 1.39 -1.49 -0.81 0.00 0.00 175.30 173.56 1wh0 h TRP 115 N 10.04 0.07 0.00 5.12 4.06 -1.98 -3.47 115.95 129.79 1wh0 h TRP 115 Ca -0.46 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.44 1wh0 h TRP 115 Cb 1.22 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 29.37 1wh0 h TRP 115 CO 0.92 0.89 0.00 0.41 -3.56 0.00 0.00 178.44 177.10 1wh0 n GLY 116 N 0.95 0.23 0.00 1.49 0.00 -1.26 -4.79 105.19 101.82 1wh0 n GLY 116 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1wh0 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh0 n GLY 117 N -0.84 3.51 0.00 -0.02 0.00 -1.26 -5.04 105.19 101.54 1wh0 n GLY 117 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 -5.00 0.99 7.94 -1.26 -4.63 117.00 115.04 1wh0 n LEU 118 Ca 0.00 0.77 -0.20 0.00 -1.11 0.00 0.00 56.01 55.47 1wh0 n LEU 118 Cb 0.00 -0.31 0.05 0.00 0.53 0.00 0.00 43.42 43.69 1wh0 n LEU 118 CO 0.00 -0.31 0.35 -1.83 -1.11 0.00 0.00 177.39 174.49 1wh0 s GLU 119 N -2.33 2.34 0.30 1.96 -1.05 -1.26 -4.35 118.70 114.32 1wh0 s GLU 119 Ca 0.00 -1.20 -0.28 0.00 -0.15 0.00 0.00 54.97 53.35 1wh0 s GLU 119 Cb 0.00 -2.56 -0.09 0.00 -0.44 0.00 0.00 34.13 31.04 1wh0 s GLU 119 CO 0.00 -0.82 0.98 0.00 0.95 0.00 0.00 175.26 176.37 1wh0 s ALA 120 N -2.73 3.27 1.17 -0.84 0.00 0.13 -4.77 121.76 117.99 1wh0 s ALA 120 Ca 0.60 0.63 -0.14 0.00 0.00 0.00 0.00 51.96 53.05 1wh0 s ALA 120 Cb -0.08 -3.23 0.21 0.00 0.00 0.00 0.00 23.12 20.03 1wh0 s ALA 120 CO 0.39 0.09 0.75 -0.35 0.00 0.00 0.00 175.76 176.63 1wh0 n PRO 121 N 0.87 -2.50 -3.39 0.00 -0.04 -1.26 -4.96 135.00 123.73 1wh0 n PRO 121 Ca 0.01 -1.20 -0.04 0.00 -0.04 0.00 0.00 63.50 62.23 1wh0 n PRO 121 Cb 0.48 -1.13 -0.05 0.00 -0.04 0.00 0.00 33.50 32.76 1wh0 n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wh0 s ALA 122 N -3.00 -1.62 0.35 0.55 0.00 -1.26 -5.14 121.76 111.64 1wh0 s ALA 122 Ca 0.49 1.54 -0.26 0.00 0.00 0.00 0.00 51.96 53.72 1wh0 s ALA 122 Cb -0.05 -1.78 -0.12 0.00 0.00 0.00 0.00 23.12 21.17 1wh0 s ALA 122 CO 0.37 -1.13 1.03 0.00 0.00 0.00 0.00 175.76 176.03 1wh0 n ALA 123 N 5.40 0.10 -3.36 0.00 0.00 -1.26 -5.00 120.51 116.39 1wh0 n ALA 123 Ca -0.05 0.32 -0.13 0.00 0.00 0.00 0.00 53.44 53.58 1wh0 n ALA 123 Cb 0.50 -2.07 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 1wh0 n ALA 123 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1wh0 s ARG 124 N -1.77 0.52 -0.14 0.00 3.03 -1.26 -5.15 118.95 114.18 1wh0 s ARG 124 Ca 0.60 0.63 -0.03 0.00 2.03 0.00 0.00 55.73 58.96 1wh0 s ARG 124 Cb -0.62 0.25 0.05 0.00 -1.03 0.00 0.00 34.95 33.59 1wh0 s ARG 124 CO 0.59 -0.07 0.05 0.08 -1.13 0.00 0.00 175.30 174.82 1wh0 s VAL 125 N 0.28 0.23 0.00 4.99 1.01 -1.26 -4.88 120.40 120.77 1wh0 s VAL 125 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1wh0 s VAL 125 Cb -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1wh0 s VAL 125 CO 0.00 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1wh0 n GLY 126 N 5.17 0.57 2.09 4.51 0.00 -1.26 -5.10 105.19 111.17 1wh0 n GLY 126 Ca -0.07 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.69 -0.83 3.59 -0.02 0.00 -1.26 -5.12 105.19 100.87 1wh0 n GLY 127 Ca 0.00 -1.77 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.74 -2.07 -0.13 4.61 0.00 -1.26 -5.08 121.76 114.10 1wh0 s ALA 128 Ca 0.40 1.49 -0.16 0.00 0.00 0.00 0.00 51.96 53.68 1wh0 s ALA 128 Cb -0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 23.12 22.92 1wh0 s ALA 128 CO 0.27 -0.64 0.35 1.03 0.00 0.00 0.00 175.76 176.78 1wh0 h SER 129 N 2.00 0.00 0.00 0.00 0.87 -1.99 -3.51 113.55 110.92 1wh0 h SER 129 Ca -0.11 -0.51 0.00 0.00 -1.23 0.00 0.00 61.79 59.94 1wh0 h SER 129 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1wh0 h SER 129 CO 0.24 0.86 0.00 0.61 -0.53 0.00 0.00 176.83 178.01 1wh0 n GLY 130 N 1.65 4.72 0.00 5.77 0.00 -1.26 -4.94 105.19 111.13 1wh0 n GLY 130 Ca -0.09 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.55 0.29 0.13 1.61 -0.04 -1.26 -3.77 135.00 130.42 1wh0 n PRO 131 Ca 0.00 0.11 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 1wh0 n PRO 131 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1wh0 n PRO 131 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1wh0 h SER 132 N 0.00 -0.70 -4.10 3.54 0.02 -2.05 -3.44 113.55 106.82 1wh0 h SER 132 Ca 0.00 0.06 -0.54 0.00 -0.84 0.00 0.00 61.79 60.47 1wh0 h SER 132 Cb 0.10 0.23 -0.21 0.00 0.14 0.00 0.00 62.40 62.66 1wh0 h SER 132 CO 0.00 -0.32 -0.81 -0.55 -1.14 0.00 0.00 176.83 174.00 1wh0 s SER 133 N -3.31 2.47 0.00 3.07 0.15 -1.25 -5.30 113.70 109.53 1wh0 s SER 133 Ca -0.09 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.85 1wh0 s SER 133 Cb 0.02 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.20 1wh0 s SER 133 CO 0.29 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.37