#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh0 s SER 2 N 0.00 6.80 -0.24 1.61 0.01 -1.26 -4.95 113.70 115.67 1wh0 s SER 2 Ca 0.00 2.54 -0.18 0.00 1.31 0.00 0.00 55.95 59.62 1wh0 s SER 2 Cb 0.00 -2.62 -0.15 0.00 0.21 0.00 0.00 66.02 63.46 1wh0 s SER 2 CO 0.00 -0.58 -0.07 -0.24 0.41 0.00 0.00 173.24 172.76 1wh0 n SER 3 N 2.17 1.91 0.00 2.44 2.88 -1.26 -5.10 113.62 116.65 1wh0 n SER 3 Ca 0.05 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1wh0 n SER 3 Cb 0.42 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1wh0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh0 n GLY 4 N 1.35 -0.66 3.72 0.46 0.00 -1.26 -4.95 105.19 103.86 1wh0 n GLY 4 Ca -0.42 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 1wh0 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wh0 n SER 5 N 0.15 3.28 -4.37 1.61 3.41 -1.26 -4.76 113.62 111.67 1wh0 n SER 5 Ca 0.00 1.18 -0.57 0.00 -0.26 0.00 0.00 58.87 59.22 1wh0 n SER 5 Cb 0.00 -1.53 -0.10 0.00 -0.26 0.00 0.00 64.21 62.32 1wh0 n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wh0 n SER 6 N 1.34 1.33 0.00 4.04 3.41 -1.26 -4.90 113.62 117.58 1wh0 n SER 6 Ca 0.06 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 1wh0 n SER 6 Cb 0.36 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1wh0 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh0 n GLY 7 N 6.76 0.39 3.21 5.00 0.00 -1.26 -4.92 105.19 114.37 1wh0 n GLY 7 Ca 0.47 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 1wh0 n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1wh0 n VAL 8 N 0.00 0.00 -1.63 1.61 3.14 -1.26 -4.73 118.33 115.46 1wh0 n VAL 8 Ca 0.00 -0.23 -0.43 0.00 -2.96 0.00 0.00 64.34 60.72 1wh0 n VAL 8 Cb 0.00 -0.47 -0.03 0.00 -1.06 0.00 0.00 33.84 32.28 1wh0 n VAL 8 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1wh0 s ASP 9 N -1.65 5.62 0.70 6.55 -1.08 -1.26 -4.90 116.67 120.66 1wh0 s ASP 9 Ca 0.51 2.00 -0.16 0.00 -0.52 0.00 0.00 52.55 54.38 1wh0 s ASP 9 Cb -0.07 -2.51 -0.14 0.00 -1.46 0.00 0.00 42.92 38.74 1wh0 s ASP 9 CO 0.66 -1.81 -0.43 -0.62 0.52 0.00 0.00 175.17 173.49 1wh0 n GLU 10 N 8.55 0.00 0.00 4.34 1.02 -1.26 -4.72 120.64 128.58 1wh0 n GLU 10 Ca 0.28 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.44 1wh0 n GLU 10 Cb 0.44 -0.93 0.10 0.00 -0.02 0.00 0.00 31.44 31.03 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 1.87 0.49 -0.30 3.49 -0.04 -1.26 -4.10 135.00 135.14 1wh0 n PRO 11 Ca 0.03 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.57 1wh0 n PRO 11 Cb 0.48 -1.11 0.17 0.00 -0.04 0.00 0.00 33.50 33.00 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 -0.61 -0.07 -0.18 0.54 0.28 -1.26 0.25 120.64 119.59 1wh0 n GLU 12 Ca 0.03 1.31 -0.01 0.00 -0.16 0.00 0.00 57.16 58.33 1wh0 n GLU 12 Cb 0.01 -2.02 0.23 0.00 1.43 0.00 0.00 31.44 31.10 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 0.82 -4.07 -1.84 0.87 -1.94 -3.43 113.55 103.96 1wh0 h SER 13 Ca 0.46 -0.07 -0.47 0.00 -1.23 0.00 0.00 61.79 60.48 1wh0 h SER 13 Cb 0.81 -0.21 0.03 0.00 -0.44 0.00 0.00 62.40 62.59 1wh0 h SER 13 CO -0.85 0.67 0.39 -0.04 -0.53 0.00 0.00 176.83 176.46 1wh0 s MET 14 N -5.59 3.79 0.20 2.24 -1.94 0.70 -4.93 119.30 113.77 1wh0 s MET 14 Ca -0.10 1.36 -0.13 0.00 -1.71 0.00 0.00 55.69 55.11 1wh0 s MET 14 Cb 0.17 -2.09 -0.07 0.00 2.01 0.00 0.00 34.83 34.84 1wh0 s MET 14 CO 0.79 -0.44 0.59 0.08 -0.01 0.00 0.00 175.02 176.03 1wh0 s VAL 15 N -1.98 4.84 -0.19 -6.03 1.01 -0.59 -4.95 120.40 112.50 1wh0 s VAL 15 Ca 0.67 0.76 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 1wh0 s VAL 15 Cb -0.16 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 1wh0 s VAL 15 CO 0.20 0.08 -0.10 0.20 0.00 0.00 0.00 175.10 175.48 1wh0 s ASN 16 N -2.00 3.95 0.49 3.32 0.01 -1.26 0.11 114.94 119.56 1wh0 s ASN 16 Ca 0.43 -0.45 -0.20 0.00 -0.71 0.00 0.00 52.86 51.94 1wh0 s ASN 16 Cb -0.13 -1.65 -0.08 0.00 0.41 0.00 0.00 41.25 39.79 1wh0 s ASN 16 CO 0.20 0.02 1.02 -0.76 -1.51 0.00 0.00 177.10 176.06 1wh0 s LEU 17 N 1.23 3.81 -0.13 0.60 1.43 0.11 -4.83 118.68 120.90 1wh0 s LEU 17 Ca 0.03 1.83 0.03 0.00 -1.03 0.00 0.00 54.13 54.99 1wh0 s LEU 17 Cb -0.14 -4.55 -0.10 0.00 0.03 0.00 0.00 46.19 41.43 1wh0 s LEU 17 CO -0.04 -0.71 -0.09 0.00 0.23 0.00 0.00 176.35 175.74 1wh0 n ALA 18 N -1.06 1.71 -3.62 4.21 0.00 -1.26 -4.40 120.51 116.08 1wh0 n ALA 18 Ca 0.08 -0.62 -0.19 0.00 0.00 0.00 0.00 53.44 52.72 1wh0 n ALA 18 Cb 0.53 0.15 -0.15 0.00 0.00 0.00 0.00 19.45 19.97 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 -2.27 -0.13 -0.14 0.00 5.36 -1.26 -5.03 117.98 114.49 1wh0 s PHE 19 Ca -0.16 0.36 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 1wh0 s PHE 19 Cb 0.04 -0.36 -0.01 0.00 -0.34 0.00 0.00 43.02 42.36 1wh0 s PHE 19 CO 0.34 -0.38 -0.14 0.08 -1.46 0.00 0.00 175.22 173.66 1wh0 s VAL 20 N 2.27 2.80 -0.30 3.12 1.01 -1.26 -5.06 120.40 122.99 1wh0 s VAL 20 Ca 0.04 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 61.01 1wh0 s VAL 20 Cb -0.13 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1wh0 s VAL 20 CO -0.08 0.52 2.25 -0.75 0.00 0.00 0.00 175.10 177.04 1wh0 s LYS 21 N 0.63 2.86 0.17 2.72 2.36 -1.26 -4.91 119.74 122.32 1wh0 s LYS 21 Ca -0.08 1.83 -0.16 0.00 -2.55 0.00 0.00 55.97 55.01 1wh0 s LYS 21 Cb -0.16 -4.42 0.03 0.00 -1.05 0.00 0.00 37.83 32.23 1wh0 s LYS 21 CO 0.03 -2.41 0.47 0.54 1.55 0.00 0.00 175.35 175.52 1wh0 s ASN 22 N 9.24 -0.22 -0.03 1.43 6.03 -1.26 -0.21 114.94 129.92 1wh0 s ASN 22 Ca 0.99 -0.49 -0.01 0.00 -1.03 0.00 0.00 52.86 52.32 1wh0 s ASN 22 Cb -0.28 0.54 0.03 0.00 -3.03 0.00 0.00 41.25 38.50 1wh0 s ASN 22 CO 0.33 -0.99 0.05 -0.62 -2.03 0.00 0.00 177.10 173.84 1wh0 s ASP 23 N -2.87 0.83 -0.12 3.54 -1.08 0.75 -4.93 116.67 112.79 1wh0 s ASP 23 Ca 0.09 0.07 0.02 0.00 -0.52 0.00 0.00 52.55 52.21 1wh0 s ASP 23 Cb 0.00 -0.12 -0.00 0.00 -1.46 0.00 0.00 42.92 41.34 1wh0 s ASP 23 CO -0.05 -0.21 -0.20 -0.55 0.52 0.00 0.00 175.17 174.68 1wh0 s SER 24 N 1.85 3.36 0.07 -0.34 0.15 -1.26 -0.21 113.70 117.31 1wh0 s SER 24 Ca 0.01 -0.51 0.04 0.00 0.70 0.00 0.00 55.95 56.19 1wh0 s SER 24 Cb -0.12 -1.48 -0.04 0.00 -1.71 0.00 0.00 66.02 62.67 1wh0 s SER 24 CO -0.03 0.14 -0.01 -0.72 1.20 0.00 0.00 173.24 173.81 1wh0 s TYR 25 N 0.49 2.97 -0.59 3.44 1.13 -0.94 -4.96 117.35 118.89 1wh0 s TYR 25 Ca -0.13 -0.02 -0.27 0.00 -1.41 0.00 0.00 57.07 55.23 1wh0 s TYR 25 Cb -0.17 -1.55 0.00 0.00 -1.10 0.00 0.00 41.96 39.14 1wh0 s TYR 25 CO 0.05 0.46 1.59 -1.21 -2.51 0.00 0.00 175.55 173.93 1wh0 s GLU 26 N -2.11 3.04 0.16 -3.49 2.02 -1.26 -2.97 118.70 114.08 1wh0 s GLU 26 Ca 0.24 0.47 0.04 0.00 0.02 0.00 0.00 54.97 55.74 1wh0 s GLU 26 Cb -0.12 -4.24 -0.04 0.00 0.10 0.00 0.00 34.13 29.84 1wh0 s GLU 26 CO 0.16 -2.26 0.17 0.21 0.02 0.00 0.00 175.26 173.56 1wh0 s LYS 27 N 6.12 3.04 0.36 1.61 2.20 -0.77 -5.01 119.74 127.29 1wh0 s LYS 27 Ca 0.57 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 1wh0 s LYS 27 Cb -0.12 -2.73 0.00 0.00 -1.51 0.00 0.00 37.83 33.47 1wh0 s LYS 27 CO 0.22 0.50 0.00 0.41 -0.36 0.00 0.00 175.35 176.12 1wh0 n GLY 28 N -0.36 -0.17 0.11 5.54 0.00 -1.26 -1.78 105.19 107.27 1wh0 n GLY 28 Ca -0.08 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.16 0.00 1.61 0.13 -1.99 -3.36 132.00 128.23 1wh0 h PRO 29 Ca 0.00 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1wh0 h PRO 29 Cb 0.00 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.14 1wh0 h PRO 29 CO 0.00 0.27 -0.31 -0.40 -0.23 0.00 0.00 178.00 177.33 1wh0 n ASP 30 N -4.95 1.80 -4.91 1.44 5.68 -1.26 -4.77 116.55 109.58 1wh0 n ASP 30 Ca -0.09 -3.22 -0.33 0.00 -0.50 0.00 0.00 54.79 50.66 1wh0 n ASP 30 Cb 0.26 -0.44 -0.05 0.00 -1.14 0.00 0.00 41.12 39.75 1wh0 n ASP 30 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1wh0 s SER 31 N -2.78 6.39 -0.21 -1.12 0.01 -0.74 -0.08 113.70 115.17 1wh0 s SER 31 Ca 0.32 0.37 -0.04 0.00 1.31 0.00 0.00 55.95 57.91 1wh0 s SER 31 Cb 0.30 -2.01 0.11 0.00 0.21 0.00 0.00 66.02 64.63 1wh0 s SER 31 CO -0.03 0.22 0.28 -0.69 0.41 0.00 0.00 173.24 173.44 1wh0 s VAL 32 N -1.40 -0.44 0.12 3.43 1.01 -0.44 -1.85 120.40 120.84 1wh0 s VAL 32 Ca 0.31 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.10 1wh0 s VAL 32 Cb -0.13 -0.71 -0.06 0.00 0.00 0.00 0.00 36.38 35.47 1wh0 s VAL 32 CO 0.22 -0.15 0.47 -0.69 0.00 0.00 0.00 175.10 174.94 1wh0 s VAL 33 N 2.42 4.99 -0.06 2.92 1.01 -1.16 -0.34 120.40 130.18 1wh0 s VAL 33 Ca 0.09 0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1wh0 s VAL 33 Cb -0.15 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1wh0 s VAL 33 CO -0.13 0.23 -0.16 -0.69 0.00 0.00 0.00 175.10 174.35 1wh0 s VAL 34 N -1.47 1.40 -0.35 2.92 1.01 -0.72 -2.21 120.40 120.98 1wh0 s VAL 34 Ca 0.36 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1wh0 s VAL 34 Cb -0.14 -1.23 0.09 0.00 0.00 0.00 0.00 36.38 35.10 1wh0 s VAL 34 CO 0.19 0.41 0.08 -1.00 0.00 0.00 0.00 175.10 174.78 1wh0 s HIS 35 N 0.36 3.59 -0.09 5.22 3.76 0.70 -2.49 115.29 126.34 1wh0 s HIS 35 Ca -0.11 -2.57 -0.18 0.00 -0.15 0.00 0.00 55.06 52.05 1wh0 s HIS 35 Cb -0.14 -2.83 -0.04 0.00 1.11 0.00 0.00 32.58 30.67 1wh0 s HIS 35 CO 0.04 -0.93 0.50 0.08 -0.85 0.00 0.00 174.74 173.58 1wh0 s VAL 36 N 1.06 5.13 -0.51 -0.90 1.01 -0.64 -0.17 120.40 125.37 1wh0 s VAL 36 Ca 0.06 1.01 -0.25 0.00 0.00 0.00 0.00 61.98 62.80 1wh0 s VAL 36 Cb -0.21 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.38 1wh0 s VAL 36 CO -0.05 0.36 0.93 -0.31 0.00 0.00 0.00 175.10 176.02 1wh0 s TYR 37 N 0.38 2.85 -0.25 5.22 1.51 0.71 -1.28 117.35 126.48 1wh0 s TYR 37 Ca 0.27 0.15 -0.28 0.00 -1.01 0.00 0.00 57.07 56.19 1wh0 s TYR 37 Cb -0.16 -4.02 0.17 0.00 -0.11 0.00 0.00 41.96 37.84 1wh0 s TYR 37 CO 0.12 -1.24 1.25 0.54 -1.11 0.00 0.00 175.55 175.10 1wh0 s VAL 38 N 3.86 0.00 0.40 0.71 0.11 -1.03 -4.77 120.40 119.67 1wh0 s VAL 38 Ca 0.33 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.43 1wh0 s VAL 38 Cb -0.11 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.71 1wh0 s VAL 38 CO 0.22 0.00 0.17 -0.54 -3.33 0.00 0.00 175.10 171.62 1wh0 s LYS 39 N -0.75 1.92 -1.45 1.54 1.02 -1.26 -3.27 119.74 117.50 1wh0 s LYS 39 Ca 0.05 -2.16 -0.06 0.00 0.02 0.00 0.00 55.97 53.81 1wh0 s LYS 39 Cb -0.02 -0.37 0.05 0.00 -0.52 0.00 0.00 37.83 36.96 1wh0 s LYS 39 CO -0.07 -0.54 0.73 0.39 -0.92 0.00 0.00 175.35 174.94 1wh0 n GLU 40 N -0.86 -4.54 -3.63 1.68 -0.58 -1.26 -3.81 120.64 107.64 1wh0 n GLU 40 Ca -0.03 0.53 -0.34 0.00 -0.42 0.00 0.00 57.16 56.90 1wh0 n GLU 40 Cb 0.64 -5.11 -0.05 0.00 -0.57 0.00 0.00 31.44 26.34 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 -3.58 5.15 -0.53 -3.67 1.01 -1.26 -0.42 121.20 117.90 1wh0 s ILE 41 Ca 0.29 0.35 -0.18 0.00 0.00 0.00 0.00 60.65 61.11 1wh0 s ILE 41 Cb -0.15 -3.63 0.08 0.00 0.01 0.00 0.00 42.46 38.77 1wh0 s ILE 41 CO 0.85 0.29 0.60 0.00 0.00 0.00 0.00 174.94 176.68 1wh0 h ARG 43 N 9.00 0.00 0.00 0.00 3.08 -1.91 0.06 114.38 124.61 1wh0 h ARG 43 Ca -0.28 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.66 1wh0 h ARG 43 Cb 1.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 1wh0 h ARG 43 CO 0.99 0.00 -0.52 0.22 -1.07 0.00 0.00 179.97 179.59 1wh0 h ASP 44 N 0.00 0.00 0.00 7.04 3.58 -2.00 -3.29 116.42 121.75 1wh0 h ASP 44 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1wh0 h ASP 44 Cb 0.29 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.28 1wh0 h ASP 44 CO 0.00 0.52 -0.42 0.35 -2.88 0.00 0.00 179.24 176.81 1wh0 n THR 45 N -3.32 1.41 -3.93 2.25 -2.24 -0.76 -5.00 114.28 102.70 1wh0 n THR 45 Ca 0.01 -2.06 -0.29 0.00 -2.27 0.00 0.00 64.05 59.45 1wh0 n THR 45 Cb 0.69 0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.83 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 -2.58 2.79 0.44 3.42 0.01 -0.07 -4.16 113.70 113.56 1wh0 s SER 46 Ca 0.29 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 56.97 1wh0 s SER 46 Cb 0.29 -0.98 -0.01 0.00 0.21 0.00 0.00 66.02 65.52 1wh0 s SER 46 CO -0.04 -0.15 0.12 -2.11 0.41 0.00 0.00 173.24 171.47 1wh0 n ARG 47 N 4.84 0.60 -3.66 12.44 1.85 0.42 -4.78 116.66 128.38 1wh0 n ARG 47 Ca -0.13 -3.62 -0.18 0.00 -1.00 0.00 0.00 57.85 52.92 1wh0 n ARG 47 Cb 0.48 1.78 -0.16 0.00 -1.05 0.00 0.00 32.46 33.51 1wh0 n ARG 47 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1wh0 s VAL 48 N -3.10 -0.22 -0.28 8.89 1.01 -1.26 -0.63 120.40 124.81 1wh0 s VAL 48 Ca 0.18 0.32 -0.18 0.00 0.00 0.00 0.00 61.98 62.30 1wh0 s VAL 48 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 1wh0 s VAL 48 CO 0.12 0.11 0.50 -0.76 0.00 0.00 0.00 175.10 175.08 1wh0 s LEU 49 N 2.26 4.10 -0.44 3.92 2.01 0.27 -4.95 118.68 125.85 1wh0 s LEU 49 Ca 0.04 0.39 -0.14 0.00 0.01 0.00 0.00 54.13 54.42 1wh0 s LEU 49 Cb -0.12 -2.62 0.05 0.00 0.01 0.00 0.00 46.19 43.50 1wh0 s LEU 49 CO -0.06 -0.32 0.34 -0.36 1.01 0.00 0.00 176.35 176.96 1wh0 s PHE 50 N 2.31 3.25 0.55 0.29 0.08 -1.26 0.26 117.98 123.46 1wh0 s PHE 50 Ca 0.20 -0.86 -0.02 0.00 0.12 0.00 0.00 56.93 56.37 1wh0 s PHE 50 Cb -0.16 -2.89 0.11 0.00 -0.57 0.00 0.00 43.02 39.52 1wh0 s PHE 50 CO 0.10 -0.72 0.75 0.54 -0.10 0.00 0.00 175.22 175.80 1wh0 n ARG 51 N 5.15 -0.07 0.11 0.44 5.12 0.48 -4.62 116.66 123.26 1wh0 n ARG 51 Ca -0.12 -1.85 -0.24 0.00 -1.93 0.00 0.00 57.85 53.71 1wh0 n ARG 51 Cb 0.45 -0.56 -0.15 0.00 -1.16 0.00 0.00 32.46 31.04 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 0.47 -0.01 5.56 4.11 -1.98 -3.35 114.58 119.38 1wh0 h GLU 52 Ca -0.25 -0.80 -0.00 0.00 0.07 0.00 0.00 59.36 58.38 1wh0 h GLU 52 Cb 0.86 0.30 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 1wh0 h GLU 52 CO 0.25 1.38 -0.07 0.94 0.07 0.00 0.00 179.01 181.58 1wh0 n GLN 53 N -3.68 1.38 -3.61 1.06 7.27 -1.26 -0.02 117.38 118.51 1wh0 n GLN 53 Ca -0.21 -2.70 -0.01 0.00 0.07 0.00 0.00 57.00 54.16 1wh0 n GLN 53 Cb 1.08 -1.53 0.02 0.00 2.41 0.00 0.00 30.24 32.22 1wh0 n GLN 53 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1wh0 n ASP 54 N -1.36 -1.37 -3.35 1.69 5.75 -1.26 -2.48 116.55 114.17 1wh0 n ASP 54 Ca 0.17 -1.61 0.02 0.00 -0.01 0.00 0.00 54.79 53.36 1wh0 n ASP 54 Cb 0.66 2.19 -0.02 0.00 -1.03 0.00 0.00 41.12 42.92 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 -2.46 -1.31 0.01 2.11 -0.12 -1.19 -0.39 117.98 114.65 1wh0 s PHE 55 Ca 0.22 1.75 -0.09 0.00 -0.05 0.00 0.00 56.93 58.76 1wh0 s PHE 55 Cb -0.02 0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 42.91 1wh0 s PHE 55 CO 0.03 -0.69 0.31 0.99 -0.05 0.00 0.00 175.22 175.82 1wh0 s THR 56 N 2.84 5.22 -0.21 -4.49 2.01 0.14 -3.18 115.64 117.97 1wh0 s THR 56 Ca 0.07 0.35 0.01 0.00 0.31 0.00 0.00 61.69 62.43 1wh0 s THR 56 Cb -0.12 -3.59 0.05 0.00 0.01 0.00 0.00 72.50 68.84 1wh0 s THR 56 CO -0.19 0.41 -0.09 -0.22 -0.69 0.00 0.00 174.62 173.84 1wh0 s LEU 57 N -1.61 2.42 -0.29 4.42 2.96 0.27 0.96 118.68 127.81 1wh0 s LEU 57 Ca 0.27 -1.00 -0.07 0.00 -0.22 0.00 0.00 54.13 53.11 1wh0 s LEU 57 Cb -0.14 -1.22 0.01 0.00 0.50 0.00 0.00 46.19 45.34 1wh0 s LEU 57 CO 0.15 -0.18 0.08 -0.63 -1.32 0.00 0.00 176.35 174.45 1wh0 s ILE 58 N 1.39 4.00 -0.15 6.68 1.09 0.20 -1.64 121.20 132.77 1wh0 s ILE 58 Ca -0.03 -0.65 -0.14 0.00 -1.10 0.00 0.00 60.65 58.73 1wh0 s ILE 58 Cb -0.17 -3.04 0.04 0.00 -1.06 0.00 0.00 42.46 38.22 1wh0 s ILE 58 CO -0.07 0.10 0.40 0.72 -0.10 0.00 0.00 174.94 175.99 1wh0 s PHE 59 N 1.51 -0.44 -0.43 3.97 -0.12 -1.15 0.16 117.98 121.48 1wh0 s PHE 59 Ca 0.03 1.08 -0.14 0.00 -0.05 0.00 0.00 56.93 57.85 1wh0 s PHE 59 Cb -0.17 0.15 0.05 0.00 -0.63 0.00 0.00 43.02 42.42 1wh0 s PHE 59 CO 0.03 -0.22 0.31 -0.65 -0.05 0.00 0.00 175.22 174.64 1wh0 s GLN 60 N 0.24 2.89 0.22 1.99 -0.21 -1.26 -3.77 119.66 119.77 1wh0 s GLN 60 Ca -0.00 -1.20 -0.04 0.00 0.02 0.00 0.00 55.36 54.13 1wh0 s GLN 60 Cb -0.03 -3.96 -0.05 0.00 1.00 0.00 0.00 33.01 29.97 1wh0 s GLN 60 CO 0.00 -0.86 0.47 -0.08 -2.12 0.00 0.00 175.29 172.69 1wh0 s THR 61 N 1.61 5.10 -0.10 -0.19 -1.32 -1.26 -1.99 115.64 117.49 1wh0 s THR 61 Ca 0.04 -0.02 0.17 0.00 -1.21 0.00 0.00 61.69 60.67 1wh0 s THR 61 Cb -0.21 -3.69 0.38 0.00 -1.51 0.00 0.00 72.50 67.46 1wh0 s THR 61 CO 0.07 -0.17 1.17 0.54 -2.21 0.00 0.00 174.62 174.03 1wh0 n ARG 62 N -0.52 0.76 -3.44 7.08 1.74 0.44 -4.25 116.66 118.46 1wh0 n ARG 62 Ca -0.02 -2.50 -0.41 0.00 -0.77 0.00 0.00 57.85 54.14 1wh0 n ARG 62 Cb 0.53 -0.83 -0.10 0.00 -1.02 0.00 0.00 32.46 31.04 1wh0 n ARG 62 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wh0 s ASP 63 N -2.49 6.13 0.52 0.55 -1.08 -1.25 -4.90 116.67 114.14 1wh0 s ASP 63 Ca 0.32 -0.51 0.36 0.00 -0.52 0.00 0.00 52.55 52.21 1wh0 s ASP 63 Cb 0.34 -2.17 1.52 0.00 -1.46 0.00 0.00 42.92 41.14 1wh0 s ASP 63 CO -0.10 -0.37 1.75 1.23 0.52 0.00 0.00 175.17 178.20 1wh0 h GLY 64 N 8.69 0.27 1.57 2.66 0.00 -1.95 0.86 103.07 115.16 1wh0 h GLY 64 Ca -0.29 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1wh0 h GLY 64 CO 0.70 -0.05 -0.19 3.43 0.00 0.00 0.00 176.54 180.42 1wh0 h ASN 65 N 0.06 0.50 0.39 0.19 2.35 -1.99 0.28 115.58 117.35 1wh0 h ASN 65 Ca 0.65 -0.15 -0.31 0.00 -0.55 0.00 0.00 56.30 55.94 1wh0 h ASN 65 Cb 2.45 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 40.66 1wh0 h ASN 65 CO -0.08 0.70 -1.74 0.15 -1.65 0.00 0.00 177.43 174.81 1wh0 h PHE 66 N 0.45 0.23 -0.02 1.19 3.04 0.16 -3.37 116.94 118.62 1wh0 h PHE 66 Ca 0.07 -0.17 -0.02 0.00 3.98 0.00 0.00 57.97 61.83 1wh0 h PHE 66 Cb 0.60 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.10 1wh0 h PHE 66 CO 0.02 1.32 -0.08 -0.07 -2.02 0.00 0.00 178.31 177.48 1wh0 h LEU 67 N 0.03 0.11 -1.00 0.59 3.38 -0.49 -3.23 115.31 114.70 1wh0 h LEU 67 Ca -0.31 -0.63 0.36 0.00 0.09 0.00 0.00 57.88 57.38 1wh0 h LEU 67 Cb 2.01 -0.03 -0.16 0.00 0.09 0.00 0.00 40.66 42.57 1wh0 h LEU 67 CO 0.10 0.72 0.56 0.03 0.09 0.00 0.00 178.44 179.94 1wh0 h ARG 68 N -0.50 0.21 -0.90 1.13 3.08 -0.62 0.98 114.38 117.75 1wh0 h ARG 68 Ca -0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1wh0 h ARG 68 Cb 0.71 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 1wh0 h ARG 68 CO 0.02 0.14 0.53 -0.07 -1.07 0.00 0.00 179.97 179.51 1wh0 h LEU 69 N 0.21 1.08 -7.73 3.04 3.38 -1.71 -3.33 115.31 110.24 1wh0 h LEU 69 Ca 0.78 -0.07 -0.75 0.00 0.09 0.00 0.00 57.88 57.93 1wh0 h LEU 69 Cb 1.88 -0.27 -0.30 0.00 0.09 0.00 0.00 40.66 42.06 1wh0 h LEU 69 CO -0.66 0.83 -0.12 -1.00 0.09 0.00 0.00 178.44 177.58 1wh0 s HIS 70 N -5.90 3.59 0.77 1.13 3.76 0.34 -5.07 115.29 113.91 1wh0 s HIS 70 Ca -0.12 -2.27 -0.11 0.00 -0.15 0.00 0.00 55.06 52.41 1wh0 s HIS 70 Cb 0.17 -3.55 0.06 0.00 1.11 0.00 0.00 32.58 30.37 1wh0 s HIS 70 CO 0.82 -0.93 1.09 -1.25 -0.85 0.00 0.00 174.74 173.62 1wh0 s PRO 71 N 0.16 2.25 0.00 8.40 0.04 -1.25 -3.49 135.00 141.11 1wh0 s PRO 71 Ca 0.17 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1wh0 s PRO 71 Cb -0.16 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1wh0 s PRO 71 CO -0.06 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 175.75 1wh0 n GLY 72 N -1.21 2.82 3.89 0.56 0.00 -1.26 -4.98 105.19 105.01 1wh0 n GLY 72 Ca 0.09 0.00 -0.27 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 -1.73 3.09 0.23 0.00 0.00 -1.26 -5.02 105.19 100.50 1wh0 n GLY 74 Ca -0.03 -1.24 0.10 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.64 1.61 0.13 -1.95 -2.55 132.00 128.61 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 0.21 0.00 -2.39 -0.23 0.00 0.00 178.00 175.59 1wh0 n HIS 76 N -3.46 1.21 -3.60 1.56 1.44 -1.26 -4.57 115.22 106.54 1wh0 n HIS 76 Ca -0.00 -0.50 -0.39 0.00 -2.01 0.00 0.00 57.72 54.81 1wh0 n HIS 76 Cb 0.38 -0.17 -0.11 0.00 0.12 0.00 0.00 29.99 30.21 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 -1.67 4.93 0.34 0.61 2.01 -0.96 -5.07 115.64 115.83 1wh0 s THR 77 Ca 0.44 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.83 1wh0 s THR 77 Cb 0.27 -3.52 -0.10 0.00 0.01 0.00 0.00 72.50 69.16 1wh0 s THR 77 CO 0.23 0.03 1.35 -0.89 -0.69 0.00 0.00 174.62 174.65 1wh0 s THR 78 N 1.67 2.57 -0.13 -0.82 2.01 -1.26 -4.74 115.64 114.92 1wh0 s THR 78 Ca 0.05 0.57 0.02 0.00 0.31 0.00 0.00 61.69 62.65 1wh0 s THR 78 Cb -0.17 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 68.98 1wh0 s THR 78 CO 0.08 0.14 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.58 1wh0 s PHE 79 N -1.13 2.67 -0.35 4.92 0.08 -1.25 -1.54 117.98 121.39 1wh0 s PHE 79 Ca 0.50 -1.23 -0.03 0.00 0.12 0.00 0.00 56.93 56.28 1wh0 s PHE 79 Cb -0.41 -1.81 0.07 0.00 -0.57 0.00 0.00 43.02 40.30 1wh0 s PHE 79 CO 0.55 -0.55 0.10 0.50 -0.10 0.00 0.00 175.22 175.72 1wh0 s ARG 80 N 0.72 2.33 -0.49 0.44 3.52 0.30 -2.93 118.95 122.83 1wh0 s ARG 80 Ca -0.09 -1.44 -0.16 0.00 -0.13 0.00 0.00 55.73 53.91 1wh0 s ARG 80 Cb -0.16 -3.39 0.08 0.00 -1.56 0.00 0.00 34.95 29.92 1wh0 s ARG 80 CO 0.01 -0.79 0.45 -0.46 -0.81 0.00 0.00 175.30 173.69 1wh0 s TRP 81 N 1.25 3.22 -0.24 5.12 -0.00 -0.65 0.04 118.94 127.68 1wh0 s TRP 81 Ca 0.00 -0.95 -0.08 0.00 -0.00 0.00 0.00 56.10 55.07 1wh0 s TRP 81 Cb -0.21 -3.34 -0.04 0.00 -0.00 0.00 0.00 33.47 29.89 1wh0 s TRP 81 CO -0.01 -0.87 0.09 -1.14 -0.00 0.00 0.00 176.95 175.02 1wh0 s GLN 82 N 1.77 3.81 -0.10 5.86 0.74 -1.26 -0.56 119.66 129.91 1wh0 s GLN 82 Ca 0.05 -0.41 0.01 0.00 0.05 0.00 0.00 55.36 55.06 1wh0 s GLN 82 Cb -0.25 -3.36 -0.02 0.00 1.10 0.00 0.00 33.01 30.48 1wh0 s GLN 82 CO 0.07 -0.05 -0.11 0.08 -0.55 0.00 0.00 175.29 174.73 1wh0 s VAL 83 N 1.28 3.31 -0.44 1.34 1.01 -1.19 -5.02 120.40 120.68 1wh0 s VAL 83 Ca 0.05 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 1wh0 s VAL 83 Cb -0.15 -2.37 0.03 0.00 0.00 0.00 0.00 36.38 33.90 1wh0 s VAL 83 CO 0.04 0.55 0.50 -0.75 0.00 0.00 0.00 175.10 175.45 1wh0 s LYS 84 N -0.18 3.12 -0.13 2.72 2.20 -1.26 -3.14 119.74 123.07 1wh0 s LYS 84 Ca 0.01 -0.75 -0.23 0.00 -0.36 0.00 0.00 55.97 54.64 1wh0 s LYS 84 Cb -0.13 -4.00 -0.03 0.00 -1.51 0.00 0.00 37.83 32.16 1wh0 s LYS 84 CO 0.03 -0.96 0.71 -0.51 -0.36 0.00 0.00 175.35 174.26 1wh0 s LEU 85 N 2.31 4.24 0.09 5.43 1.43 -1.04 -1.00 118.68 130.14 1wh0 s LEU 85 Ca 0.14 1.09 -0.35 0.00 -1.03 0.00 0.00 54.13 53.97 1wh0 s LEU 85 Cb -0.17 -3.07 -0.17 0.00 0.03 0.00 0.00 46.19 42.81 1wh0 s LEU 85 CO 0.14 -0.22 1.55 0.03 0.23 0.00 0.00 176.35 178.07 1wh0 h ARG 86 N 7.08 -0.92 -7.14 1.70 2.47 -1.84 -3.44 114.38 112.29 1wh0 h ARG 86 Ca -0.36 0.06 -0.45 0.00 -1.26 0.00 0.00 59.98 57.98 1wh0 h ARG 86 Cb 1.17 0.21 0.07 0.00 -1.65 0.00 0.00 29.97 29.77 1wh0 h ARG 86 CO 0.78 -0.62 0.13 1.21 0.56 0.00 0.00 179.97 182.03 1wh0 s ASN 87 N -4.38 4.75 0.57 7.04 3.84 -1.26 -5.09 114.94 120.41 1wh0 s ASN 87 Ca -0.17 0.10 -0.09 0.00 0.21 0.00 0.00 52.86 52.91 1wh0 s ASN 87 Cb 0.04 -0.72 -0.03 0.00 -0.55 0.00 0.00 41.25 39.99 1wh0 s ASN 87 CO 0.59 -1.58 0.93 -0.76 -2.79 0.00 0.00 177.10 173.49 1wh0 s LEU 88 N -5.11 3.36 0.00 3.21 1.43 -1.26 -4.78 118.68 115.53 1wh0 s LEU 88 Ca 0.62 1.17 0.06 0.00 -1.03 0.00 0.00 54.13 54.95 1wh0 s LEU 88 Cb -0.09 -4.16 -0.02 0.00 0.03 0.00 0.00 46.19 41.95 1wh0 s LEU 88 CO 0.43 -0.80 0.22 2.30 0.23 0.00 0.00 176.35 178.73 1wh0 n ILE 89 N -2.57 0.00 -3.95 -0.59 -5.35 0.97 -2.78 119.36 105.08 1wh0 n ILE 89 Ca 0.04 -1.94 -0.30 0.00 -0.27 0.00 0.00 62.75 60.27 1wh0 n ILE 89 Cb 0.55 0.96 -0.14 0.00 -1.74 0.00 0.00 39.64 39.26 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 -3.09 1.77 0.17 6.28 0.41 0.10 -4.67 118.70 119.67 1wh0 s GLU 90 Ca 0.31 -2.34 0.20 0.00 -0.41 0.00 0.00 54.97 52.73 1wh0 s GLU 90 Cb 0.02 -3.21 0.85 0.00 -1.78 0.00 0.00 34.13 30.01 1wh0 s GLU 90 CO 0.22 -1.06 1.62 -0.35 -0.49 0.00 0.00 175.26 175.20 1wh0 n PRO 91 N 3.50 0.13 0.23 0.39 -0.04 -1.26 -2.48 135.00 135.48 1wh0 n PRO 91 Ca 0.05 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1wh0 n PRO 91 Cb 0.35 -1.75 0.51 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.92 -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 0.19 -0.76 1.04 -1.00 0.00 0.00 179.01 178.47 1wh0 n GLN 93 N -3.38 2.65 -1.02 2.33 6.02 -1.03 -5.02 117.38 117.92 1wh0 n GLN 93 Ca -0.00 -0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.63 1wh0 n GLN 93 Cb 0.40 -1.07 0.14 0.00 1.02 0.00 0.00 30.24 30.72 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 -2.23 0.06 -0.07 0.00 -4.23 -0.92 -5.01 115.64 103.25 1wh0 s THR 95 Ca 0.72 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1wh0 s THR 95 Cb -0.28 -0.51 0.02 0.00 1.34 0.00 0.00 72.50 73.07 1wh0 s THR 95 CO 0.52 -0.28 -0.05 0.72 -0.54 0.00 0.00 174.62 174.99 1wh0 s PHE 96 N -1.20 1.02 -0.11 3.99 -0.12 -1.26 -1.33 117.98 118.98 1wh0 s PHE 96 Ca -0.13 -0.38 -0.08 0.00 -0.05 0.00 0.00 56.93 56.29 1wh0 s PHE 96 Cb -0.06 -0.91 0.04 0.00 -0.63 0.00 0.00 43.02 41.46 1wh0 s PHE 96 CO 0.03 -0.32 0.28 0.00 -0.05 0.00 0.00 175.22 175.15 1wh0 s PHE 98 N 0.69 3.47 0.16 0.00 0.40 -1.26 0.01 117.98 121.45 1wh0 s PHE 98 Ca -0.04 1.38 0.01 0.00 -0.60 0.00 0.00 56.93 57.67 1wh0 s PHE 98 Cb -0.06 -2.78 -0.00 0.00 0.51 0.00 0.00 43.02 40.69 1wh0 s PHE 98 CO -0.04 -0.69 0.03 0.25 0.70 0.00 0.00 175.22 175.47 1wh0 n THR 99 N -2.38 0.00 0.00 0.64 -2.24 0.47 -4.76 114.28 106.01 1wh0 n THR 99 Ca 0.07 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1wh0 n THR 99 Cb 0.54 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 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 -2.35 0.00 -1.28 6.98 0.00 -1.26 -3.68 120.51 118.92 1wh0 n ALA 100 Ca -0.06 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.45 1wh0 n ALA 100 Cb 0.23 0.37 0.12 0.00 0.00 0.00 0.00 19.45 20.16 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 -1.95 1.87 -3.86 0.00 3.41 -1.26 -4.88 113.62 106.94 1wh0 n SER 101 Ca 0.00 -2.90 -0.09 0.00 -0.26 0.00 0.00 58.87 55.61 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 -2.32 1.14 -0.09 4.33 1.70 -1.20 -2.47 118.95 120.03 1wh0 s ARG 102 Ca 0.26 -1.02 -0.02 0.00 -0.47 0.00 0.00 55.73 54.48 1wh0 s ARG 102 Cb 0.23 0.41 -0.03 0.00 -0.57 0.00 0.00 34.95 34.99 1wh0 s ARG 102 CO 0.02 -0.43 -0.00 0.42 -1.08 0.00 0.00 175.30 174.23 1wh0 s ILE 103 N -3.91 4.28 -0.15 4.99 1.01 -0.40 0.18 121.20 127.20 1wh0 s ILE 103 Ca 0.12 -0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 1wh0 s ILE 103 Cb 0.03 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1wh0 s ILE 103 CO -0.04 0.60 -0.09 -0.62 0.00 0.00 0.00 174.94 174.79 1wh0 s ASP 104 N -0.82 4.30 -0.13 3.58 -1.08 0.10 -1.61 116.67 121.01 1wh0 s ASP 104 Ca 0.13 -0.26 -0.02 0.00 -0.52 0.00 0.00 52.55 51.87 1wh0 s ASP 104 Cb -0.11 -1.68 0.04 0.00 -1.46 0.00 0.00 42.92 39.71 1wh0 s ASP 104 CO 0.02 0.15 0.02 -0.63 0.52 0.00 0.00 175.17 175.25 1wh0 s ILE 105 N 0.44 0.47 -0.44 4.11 1.01 -1.04 -0.82 121.20 124.94 1wh0 s ILE 105 Ca -0.07 -0.23 -0.21 0.00 0.00 0.00 0.00 60.65 60.14 1wh0 s ILE 105 Cb -0.15 -0.80 0.02 0.00 0.01 0.00 0.00 42.46 41.54 1wh0 s ILE 105 CO 0.04 0.03 0.64 0.00 0.00 0.00 0.00 174.94 175.65 1wh0 s LEU 107 N 2.81 3.99 -0.40 0.00 1.43 0.54 -2.15 118.68 124.90 1wh0 s LEU 107 Ca 0.22 0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.25 1wh0 s LEU 107 Cb -0.14 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.04 1wh0 s LEU 107 CO 0.19 0.10 0.41 -0.60 0.23 0.00 0.00 176.35 176.68 1wh0 s ARG 108 N 0.85 3.23 0.18 1.70 6.06 -1.26 -1.33 118.95 128.38 1wh0 s ARG 108 Ca 0.06 -0.66 -0.30 0.00 -2.50 0.00 0.00 55.73 52.33 1wh0 s ARG 108 Cb -0.13 -3.92 -0.08 0.00 0.06 0.00 0.00 34.95 30.88 1wh0 s ARG 108 CO 0.03 -0.75 1.08 0.15 -2.50 0.00 0.00 175.30 173.30 1wh0 s LYS 109 N 2.09 4.62 0.36 5.12 1.02 0.89 0.01 119.74 133.85 1wh0 s LYS 109 Ca 0.12 1.69 0.14 0.00 0.02 0.00 0.00 55.97 57.94 1wh0 s LYS 109 Cb -0.17 -3.28 0.67 0.00 -0.52 0.00 0.00 37.83 34.53 1wh0 s LYS 109 CO 0.13 0.12 1.78 0.00 -0.92 0.00 0.00 175.35 176.45 1wh0 h ARG 110 N 5.01 0.00 0.00 1.68 3.08 -1.79 -3.45 114.38 118.91 1wh0 h ARG 110 Ca -0.44 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.24 1wh0 h ARG 110 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.26 1wh0 h ARG 110 CO 0.72 0.42 -0.11 1.04 -1.07 0.00 0.00 179.97 180.97 1wh0 n GLN 111 N -3.94 0.81 -1.39 0.04 1.13 -1.26 -5.06 117.38 107.71 1wh0 n GLN 111 Ca -0.02 -2.29 -0.01 0.00 -1.94 0.00 0.00 57.00 52.75 1wh0 n GLN 111 Cb 0.46 0.01 0.10 0.00 0.11 0.00 0.00 30.24 30.92 1wh0 n GLN 111 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1wh0 n SER 112 N -2.26 2.05 -4.60 1.08 3.41 -1.26 -4.65 113.62 107.39 1wh0 n SER 112 Ca 0.06 -3.09 -0.27 0.00 -0.26 0.00 0.00 58.87 55.31 1wh0 n SER 112 Cb 0.43 -0.42 -0.11 0.00 -0.26 0.00 0.00 64.21 63.85 1wh0 n SER 112 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wh0 s GLN 113 N -2.43 1.92 0.76 4.33 -2.07 -1.26 -5.00 119.66 115.91 1wh0 s GLN 113 Ca 0.38 -2.06 -0.12 0.00 -1.82 0.00 0.00 55.36 51.73 1wh0 s GLN 113 Cb 0.38 -1.63 0.06 0.00 -1.09 0.00 0.00 33.01 30.72 1wh0 s GLN 113 CO -0.08 -0.01 1.13 -0.98 -1.32 0.00 0.00 175.29 174.04 1wh0 s ARG 114 N -3.69 2.12 -0.16 9.60 1.04 -1.26 -4.98 118.95 121.61 1wh0 s ARG 114 Ca 0.34 1.43 0.13 0.00 -1.04 0.00 0.00 55.73 56.59 1wh0 s ARG 114 Cb 0.08 -1.86 -0.19 0.00 -2.04 0.00 0.00 34.95 30.93 1wh0 s ARG 114 CO 0.18 -1.79 0.03 0.91 -0.04 0.00 0.00 175.30 174.59 1wh0 n TRP 115 N -3.21 0.00 -3.24 5.89 7.02 -1.26 -5.01 117.44 117.62 1wh0 n TRP 115 Ca 0.11 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.37 1wh0 n TRP 115 Cb 0.52 -0.80 0.05 0.00 -2.42 0.00 0.00 31.31 28.67 1wh0 n TRP 115 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1wh0 n GLY 116 N 2.05 -0.49 0.00 6.99 0.00 -1.26 -4.81 105.19 107.67 1wh0 n GLY 116 Ca -0.27 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1wh0 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh0 n GLY 117 N -1.71 2.70 0.51 -0.02 0.00 -1.26 -5.04 105.19 100.36 1wh0 n GLY 117 Ca -0.06 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 1wh0 n GLY 117 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1wh0 h LEU 118 N 0.00 -1.44 -9.69 0.99 5.85 -1.94 -3.42 115.31 105.66 1wh0 h LEU 118 Ca 0.00 0.12 -0.53 0.00 0.84 0.00 0.00 57.88 58.31 1wh0 h LEU 118 Cb 0.00 0.48 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1wh0 h LEU 118 CO 0.00 -0.66 0.19 -1.61 -0.34 0.00 0.00 178.44 176.02 1wh0 s GLU 119 N -5.85 4.58 0.77 1.25 2.02 -1.26 -4.18 118.70 116.03 1wh0 s GLU 119 Ca -0.18 1.17 -0.13 0.00 0.02 0.00 0.00 54.97 55.86 1wh0 s GLU 119 Cb 0.05 -3.29 0.06 0.00 0.10 0.00 0.00 34.13 31.05 1wh0 s GLU 119 CO 0.61 0.50 1.15 0.00 0.02 0.00 0.00 175.26 177.54 1wh0 s ALA 120 N -0.89 2.04 1.13 5.21 0.00 -0.17 -4.93 121.76 124.14 1wh0 s ALA 120 Ca 0.37 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 1wh0 s ALA 120 Cb -0.23 -3.40 0.16 0.00 0.00 0.00 0.00 23.12 19.65 1wh0 s ALA 120 CO 0.26 -1.98 0.56 -0.35 0.00 0.00 0.00 175.76 174.26 1wh0 n PRO 121 N -3.19 -2.13 -4.13 0.00 -0.04 -1.26 -5.00 135.00 119.25 1wh0 n PRO 121 Ca 0.12 -0.90 -0.16 0.00 -0.04 0.00 0.00 63.50 62.52 1wh0 n PRO 121 Cb 0.51 -0.85 -0.05 0.00 -0.04 0.00 0.00 33.50 33.08 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 1.01 -1.15 0.55 0.00 -1.26 -4.95 121.76 112.97 1wh0 s ALA 122 Ca 0.37 -1.64 -0.02 0.00 0.00 0.00 0.00 51.96 50.67 1wh0 s ALA 122 Cb -0.04 1.23 0.00 0.00 0.00 0.00 0.00 23.12 24.31 1wh0 s ALA 122 CO 0.28 -0.76 0.97 0.00 0.00 0.00 0.00 175.76 176.25 1wh0 n ALA 123 N -0.57 -1.74 -3.60 0.00 0.00 -1.26 -5.01 120.51 108.32 1wh0 n ALA 123 Ca 0.02 0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.47 1wh0 n ALA 123 Cb 0.62 -2.90 -0.06 0.00 0.00 0.00 0.00 19.45 17.11 1wh0 n ALA 123 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1wh0 s ARG 124 N -5.47 0.46 -0.47 0.00 3.00 -1.26 -5.11 118.95 110.09 1wh0 s ARG 124 Ca 0.12 0.87 0.04 0.00 -1.00 0.00 0.00 55.73 55.76 1wh0 s ARG 124 Cb -0.05 0.23 0.12 0.00 0.00 0.00 0.00 34.95 35.25 1wh0 s ARG 124 CO 0.68 -0.11 0.21 0.08 0.00 0.00 0.00 175.30 176.16 1wh0 s VAL 125 N 1.74 2.50 0.00 7.11 1.01 -1.26 -4.79 120.40 126.72 1wh0 s VAL 125 Ca -0.08 -3.08 0.00 0.00 0.00 0.00 0.00 61.98 58.83 1wh0 s VAL 125 Cb -0.05 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1wh0 s VAL 125 CO -0.17 -0.75 0.00 0.61 0.00 0.00 0.00 175.10 174.79 1wh0 n GLY 126 N 3.39 3.05 6.06 4.51 0.00 -1.26 -4.92 105.19 116.02 1wh0 n GLY 126 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1wh0 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh0 n GLY 127 N 0.00 2.02 0.41 -0.02 0.00 -1.26 -4.23 105.19 102.11 1wh0 n GLY 127 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1wh0 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 h ALA 128 N -0.11 -0.57 -4.31 4.61 0.00 -2.03 -3.46 119.26 113.39 1wh0 h ALA 128 Ca 0.00 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 1wh0 h ALA 128 Cb 0.00 0.94 0.10 0.00 0.00 0.00 0.00 17.79 18.83 1wh0 h ALA 128 CO 0.00 -0.93 -0.47 0.45 0.00 0.00 0.00 179.25 178.30 1wh0 n SER 129 N -5.41 -4.38 -3.50 0.00 2.88 -1.26 -4.99 113.62 96.95 1wh0 n SER 129 Ca -0.02 -0.38 -0.27 0.00 -1.33 0.00 0.00 58.87 56.87 1wh0 n SER 129 Cb 0.35 -3.58 -0.10 0.00 -0.75 0.00 0.00 64.21 60.14 1wh0 n SER 129 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh0 n GLY 130 N -1.44 2.90 3.68 0.46 0.00 -1.26 -5.10 105.19 104.42 1wh0 n GLY 130 Ca -0.03 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.68 4.24 -0.13 1.61 0.04 -1.26 -5.01 135.00 133.81 1wh0 s PRO 131 Ca 0.32 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.39 1wh0 s PRO 131 Cb 0.04 -3.70 0.02 0.00 0.04 0.00 0.00 34.50 30.91 1wh0 s PRO 131 CO -0.17 -0.67 -0.16 -1.54 0.04 0.00 0.00 177.00 174.50 1wh0 s SER 132 N 2.29 2.65 0.39 6.66 1.04 -1.26 -5.13 113.70 120.35 1wh0 s SER 132 Ca 0.66 -0.48 0.08 0.00 0.48 0.00 0.00 55.95 56.68 1wh0 s SER 132 Cb -0.32 -1.19 -0.03 0.00 0.10 0.00 0.00 66.02 64.58 1wh0 s SER 132 CO 0.26 -0.01 0.28 -0.44 0.98 0.00 0.00 173.24 174.32 1wh0 s SER 133 N 1.18 4.88 0.00 7.02 0.01 -1.26 -5.33 113.70 120.20 1wh0 s SER 133 Ca -0.02 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1wh0 s SER 133 Cb -0.14 -0.63 0.00 0.00 0.21 0.00 0.00 66.02 65.46 1wh0 s SER 133 CO -0.06 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.67