#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh0 s SER 2 N 0.00 4.33 -0.12 1.61 1.04 -1.26 -5.10 113.70 114.21 1wh0 s SER 2 Ca 0.00 -1.24 -0.11 0.00 0.48 0.00 0.00 55.95 55.08 1wh0 s SER 2 Cb 0.00 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 1wh0 s SER 2 CO 0.00 -0.67 -0.21 -1.54 0.98 0.00 0.00 173.24 171.81 1wh0 n SER 3 N -1.28 1.34 -1.64 7.02 3.41 -1.26 -5.11 113.62 116.09 1wh0 n SER 3 Ca -0.05 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 1wh0 n SER 3 Cb 0.65 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1wh0 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh0 n GLY 4 N 1.53 -4.59 3.39 5.00 0.00 -1.26 -5.07 105.19 104.20 1wh0 n GLY 4 Ca -0.08 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 1wh0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 s SER 5 N -3.88 -0.45 -0.06 1.61 0.01 -1.26 -5.08 113.70 104.59 1wh0 s SER 5 Ca 0.00 0.14 -0.01 0.00 1.31 0.00 0.00 55.95 57.38 1wh0 s SER 5 Cb 0.00 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.70 1wh0 s SER 5 CO 0.00 -0.76 -0.07 -0.24 0.41 0.00 0.00 173.24 172.58 1wh0 n SER 6 N 0.28 2.04 0.00 2.44 2.88 -1.26 -5.11 113.62 114.89 1wh0 n SER 6 Ca -0.18 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1wh0 n SER 6 Cb 0.61 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 1wh0 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh0 n GLY 7 N 2.90 0.58 3.95 0.46 0.00 -1.26 -5.12 105.19 106.69 1wh0 n GLY 7 Ca -0.12 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 1wh0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wh0 s VAL 8 N 0.00 4.01 -0.67 1.61 0.11 -1.26 -4.95 120.40 119.24 1wh0 s VAL 8 Ca 0.00 -0.40 -0.28 0.00 -2.93 0.00 0.00 61.98 58.36 1wh0 s VAL 8 Cb 0.00 -3.50 -0.13 0.00 -1.53 0.00 0.00 36.38 31.23 1wh0 s VAL 8 CO 0.00 -0.38 2.51 -0.90 -3.33 0.00 0.00 175.10 173.01 1wh0 n ASP 9 N -2.15 1.55 -3.18 3.54 5.68 -1.26 -4.83 116.55 115.90 1wh0 n ASP 9 Ca 0.02 -0.21 -0.30 0.00 -0.50 0.00 0.00 54.79 53.80 1wh0 n ASP 9 Cb 0.58 -1.32 0.00 0.00 -1.14 0.00 0.00 41.12 39.24 1wh0 n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1wh0 n GLU 10 N 8.78 0.00 0.00 0.11 -0.58 -1.26 -4.72 120.64 122.97 1wh0 n GLU 10 Ca 0.48 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 57.28 1wh0 n GLU 10 Cb 0.34 -0.75 0.33 0.00 -0.57 0.00 0.00 31.44 30.79 1wh0 n GLU 10 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1wh0 n PRO 11 N 1.07 0.49 -0.32 3.49 -0.04 -1.26 -4.01 135.00 134.41 1wh0 n PRO 11 Ca 0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 1wh0 n PRO 11 Cb 0.33 -1.36 0.11 0.00 -0.04 0.00 0.00 33.50 32.54 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 -0.86 -0.10 -0.18 0.54 0.28 -1.26 0.24 120.64 119.31 1wh0 n GLU 12 Ca 0.08 1.36 0.04 0.00 -0.16 0.00 0.00 57.16 58.48 1wh0 n GLU 12 Cb 0.04 -2.03 0.32 0.00 1.43 0.00 0.00 31.44 31.20 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 0.72 -3.62 -1.84 0.87 -1.93 -3.42 113.55 104.33 1wh0 h SER 13 Ca 0.40 -0.01 -0.51 0.00 -1.23 0.00 0.00 61.79 60.45 1wh0 h SER 13 Cb 0.62 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1wh0 h SER 13 CO -0.90 0.49 0.03 -0.32 -0.53 0.00 0.00 176.83 175.61 1wh0 s MET 14 N -5.72 3.91 0.28 2.24 -2.45 0.66 -4.79 119.30 113.43 1wh0 s MET 14 Ca -0.10 0.51 -0.07 0.00 -1.25 0.00 0.00 55.69 54.78 1wh0 s MET 14 Cb 0.19 -2.50 -0.06 0.00 1.25 0.00 0.00 34.83 33.71 1wh0 s MET 14 CO 0.77 0.19 0.57 0.08 1.05 0.00 0.00 175.02 177.67 1wh0 s VAL 15 N -1.98 4.98 -0.16 10.11 1.01 -0.23 -4.90 120.40 129.23 1wh0 s VAL 15 Ca 0.52 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.68 1wh0 s VAL 15 Cb -0.10 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1wh0 s VAL 15 CO 0.20 -0.26 -0.06 0.20 0.00 0.00 0.00 175.10 175.18 1wh0 s ASN 16 N -2.93 4.51 0.67 3.32 0.01 -1.26 0.49 114.94 119.75 1wh0 s ASN 16 Ca 0.45 -0.22 -0.06 0.00 -0.71 0.00 0.00 52.86 52.32 1wh0 s ASN 16 Cb -0.11 -1.73 0.05 0.00 0.41 0.00 0.00 41.25 39.87 1wh0 s ASN 16 CO 0.28 0.14 0.98 -0.76 -1.51 0.00 0.00 177.10 176.22 1wh0 s LEU 17 N 0.55 2.91 0.00 0.60 1.43 0.82 -4.84 118.68 120.15 1wh0 s LEU 17 Ca -0.04 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 1wh0 s LEU 17 Cb -0.15 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 42.93 1wh0 s LEU 17 CO 0.03 -1.49 0.00 0.00 0.23 0.00 0.00 176.35 175.12 1wh0 n ALA 18 N -2.82 1.56 -3.66 4.21 0.00 -1.26 -4.73 120.51 113.80 1wh0 n ALA 18 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 1wh0 n ALA 18 Cb 0.60 0.14 -0.10 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.52 -0.76 -0.09 0.00 5.36 -1.26 -5.07 117.98 114.64 1wh0 s PHE 19 Ca 0.00 1.48 0.04 0.00 -0.96 0.00 0.00 56.93 57.49 1wh0 s PHE 19 Cb 0.00 0.29 -0.01 0.00 -0.34 0.00 0.00 43.02 42.96 1wh0 s PHE 19 CO 0.00 -0.46 -0.23 0.08 -1.46 0.00 0.00 175.22 173.15 1wh0 s VAL 20 N 2.46 2.18 -0.40 3.12 1.01 -1.26 -5.07 120.40 122.45 1wh0 s VAL 20 Ca -0.03 -0.99 -0.27 0.00 0.00 0.00 0.00 61.98 60.69 1wh0 s VAL 20 Cb -0.12 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1wh0 s VAL 20 CO -0.13 0.56 2.05 -0.75 0.00 0.00 0.00 175.10 176.83 1wh0 s LYS 21 N 0.15 2.87 0.22 2.72 2.36 -1.26 -4.91 119.74 121.88 1wh0 s LYS 21 Ca -0.12 1.40 -0.15 0.00 -2.55 0.00 0.00 55.97 54.55 1wh0 s LYS 21 Cb -0.16 -4.36 0.01 0.00 -1.05 0.00 0.00 37.83 32.26 1wh0 s LYS 21 CO 0.07 -2.41 0.50 0.54 1.55 0.00 0.00 175.35 175.59 1wh0 s ASN 22 N 8.39 -0.16 -0.04 1.43 2.20 -1.26 -0.70 114.94 124.80 1wh0 s ASN 22 Ca 0.86 -0.71 -0.00 0.00 -0.94 0.00 0.00 52.86 52.07 1wh0 s ASN 22 Cb -0.22 0.58 0.03 0.00 -2.00 0.00 0.00 41.25 39.64 1wh0 s ASN 22 CO 0.30 -1.10 0.02 -0.62 -2.94 0.00 0.00 177.10 172.76 1wh0 s ASP 23 N -2.94 0.70 -0.05 3.54 2.15 0.31 -4.93 116.67 115.45 1wh0 s ASP 23 Ca 0.15 0.00 0.06 0.00 0.43 0.00 0.00 52.55 53.19 1wh0 s ASP 23 Cb -0.01 -0.21 -0.02 0.00 -0.30 0.00 0.00 42.92 42.39 1wh0 s ASP 23 CO 0.03 -0.16 -0.23 -0.94 -0.17 0.00 0.00 175.17 173.70 1wh0 s SER 24 N 1.45 3.27 0.18 -0.34 1.04 -1.26 0.18 113.70 118.22 1wh0 s SER 24 Ca -0.04 -0.44 0.10 0.00 0.48 0.00 0.00 55.95 56.05 1wh0 s SER 24 Cb -0.13 -0.75 -0.04 0.00 0.10 0.00 0.00 66.02 65.20 1wh0 s SER 24 CO -0.03 0.28 -0.20 -0.72 0.98 0.00 0.00 173.24 173.54 1wh0 s TYR 25 N -0.34 2.03 -0.53 5.02 -0.85 -0.78 -4.98 117.35 116.91 1wh0 s TYR 25 Ca 0.02 -0.42 -0.28 0.00 -0.52 0.00 0.00 57.07 55.87 1wh0 s TYR 25 Cb -0.12 -1.00 0.01 0.00 0.38 0.00 0.00 41.96 41.23 1wh0 s TYR 25 CO 0.02 0.42 1.48 -1.21 -1.52 0.00 0.00 175.55 174.74 1wh0 s GLU 26 N -2.80 3.28 0.15 -3.49 0.41 -1.26 -2.55 118.70 112.43 1wh0 s GLU 26 Ca 0.19 0.59 0.01 0.00 -0.41 0.00 0.00 54.97 55.34 1wh0 s GLU 26 Cb -0.06 -4.14 -0.04 0.00 -1.78 0.00 0.00 34.13 28.11 1wh0 s GLU 26 CO 0.08 -1.95 0.31 0.21 -0.49 0.00 0.00 175.26 173.42 1wh0 s LYS 27 N 5.58 3.47 0.00 1.61 2.20 0.36 -4.97 119.74 127.98 1wh0 s LYS 27 Ca 0.56 -0.47 0.00 0.00 -0.36 0.00 0.00 55.97 55.71 1wh0 s LYS 27 Cb -0.12 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 1wh0 s LYS 27 CO 0.26 0.50 0.00 0.41 -0.36 0.00 0.00 175.35 176.16 1wh0 n GLY 28 N -0.41 0.55 0.09 5.54 0.00 -1.26 -0.54 105.19 109.16 1wh0 n GLY 28 Ca -0.06 -0.76 -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 -0.09 0.00 1.61 0.13 -2.01 -3.37 132.00 128.27 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 -0.12 -0.25 -0.23 0.00 0.00 178.00 177.77 1wh0 n ASP 30 N -4.91 1.29 -4.80 1.44 9.92 -1.25 -4.69 116.55 113.56 1wh0 n ASP 30 Ca -0.08 -2.19 -0.38 0.00 -0.53 0.00 0.00 54.79 51.60 1wh0 n ASP 30 Cb 0.25 -0.19 -0.06 0.00 -0.64 0.00 0.00 41.12 40.48 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 -1.46 7.21 -0.20 -2.24 0.01 0.30 -2.58 113.70 114.74 1wh0 s SER 31 Ca 0.11 1.53 -0.05 0.00 1.31 0.00 0.00 55.95 58.85 1wh0 s SER 31 Cb 0.09 -2.46 0.07 0.00 0.21 0.00 0.00 66.02 63.94 1wh0 s SER 31 CO 0.01 0.11 0.10 -0.69 0.41 0.00 0.00 173.24 173.18 1wh0 s VAL 32 N -1.35 -0.05 0.21 3.43 1.01 -0.64 0.13 120.40 123.15 1wh0 s VAL 32 Ca 0.39 -0.33 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 1wh0 s VAL 32 Cb -0.20 -0.70 -0.08 0.00 0.00 0.00 0.00 36.38 35.41 1wh0 s VAL 32 CO 0.23 -0.38 0.61 -0.69 0.00 0.00 0.00 175.10 174.87 1wh0 s VAL 33 N 2.11 4.79 -0.05 2.92 1.01 -1.06 -0.83 120.40 129.30 1wh0 s VAL 33 Ca 0.04 0.84 0.03 0.00 0.00 0.00 0.00 61.98 62.89 1wh0 s VAL 33 Cb -0.16 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1wh0 s VAL 33 CO -0.15 0.08 -0.15 -0.69 0.00 0.00 0.00 175.10 174.18 1wh0 s VAL 34 N -1.66 1.33 -0.38 2.92 1.01 -0.74 -1.87 120.40 121.03 1wh0 s VAL 34 Ca 0.44 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 1wh0 s VAL 34 Cb -0.13 -1.17 0.10 0.00 0.00 0.00 0.00 36.38 35.17 1wh0 s VAL 34 CO 0.20 0.39 0.14 -1.00 0.00 0.00 0.00 175.10 174.83 1wh0 s HIS 35 N 0.27 3.53 -0.24 5.22 3.76 0.13 -2.61 115.29 125.36 1wh0 s HIS 35 Ca -0.08 -2.34 -0.20 0.00 -0.15 0.00 0.00 55.06 52.28 1wh0 s HIS 35 Cb -0.13 -2.95 -0.02 0.00 1.11 0.00 0.00 32.58 30.59 1wh0 s HIS 35 CO 0.03 -0.93 0.62 0.08 -0.85 0.00 0.00 174.74 173.69 1wh0 s VAL 36 N 1.15 5.00 -0.62 -0.90 1.01 -0.80 -0.53 120.40 124.71 1wh0 s VAL 36 Ca 0.06 1.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.89 1wh0 s VAL 36 Cb -0.22 -3.93 0.03 0.00 0.00 0.00 0.00 36.38 32.26 1wh0 s VAL 36 CO -0.04 0.06 1.22 -0.31 0.00 0.00 0.00 175.10 176.03 1wh0 s TYR 37 N 2.30 2.51 -0.16 5.22 1.51 0.12 -1.57 117.35 127.30 1wh0 s TYR 37 Ca 0.27 0.30 -0.31 0.00 -1.01 0.00 0.00 57.07 56.32 1wh0 s TYR 37 Cb -0.16 -4.54 0.14 0.00 -0.11 0.00 0.00 41.96 37.29 1wh0 s TYR 37 CO 0.09 -1.72 1.07 0.54 -1.11 0.00 0.00 175.55 174.42 1wh0 s VAL 38 N 5.19 0.00 0.35 0.71 0.11 -1.12 -4.78 120.40 120.85 1wh0 s VAL 38 Ca 0.41 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.53 1wh0 s VAL 38 Cb -0.08 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 1wh0 s VAL 38 CO 0.23 0.00 0.25 -0.54 -3.33 0.00 0.00 175.10 171.71 1wh0 s LYS 39 N -1.68 1.80 -1.50 1.54 1.02 -1.26 -3.31 119.74 116.36 1wh0 s LYS 39 Ca 0.03 -2.06 -0.11 0.00 0.02 0.00 0.00 55.97 53.85 1wh0 s LYS 39 Cb -0.01 0.15 0.07 0.00 -0.52 0.00 0.00 37.83 37.52 1wh0 s LYS 39 CO -0.03 -0.63 0.92 0.39 -0.92 0.00 0.00 175.35 175.09 1wh0 n GLU 40 N -0.69 -5.34 -3.56 1.68 -0.58 -1.26 -3.73 120.64 107.16 1wh0 n GLU 40 Ca 0.05 0.59 -0.32 0.00 -0.42 0.00 0.00 57.16 57.06 1wh0 n GLU 40 Cb 0.63 -5.41 -0.05 0.00 -0.57 0.00 0.00 31.44 26.04 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 -3.38 5.06 -0.47 -3.67 1.01 -1.26 0.40 121.20 118.89 1wh0 s ILE 41 Ca 0.54 0.27 -0.13 0.00 0.00 0.00 0.00 60.65 61.32 1wh0 s ILE 41 Cb -0.27 -3.63 0.09 0.00 0.01 0.00 0.00 42.46 38.66 1wh0 s ILE 41 CO 0.83 0.03 0.37 0.00 0.00 0.00 0.00 174.94 176.17 1wh0 n ARG 43 N 5.11 0.11 0.07 0.00 1.74 -1.26 -0.40 116.66 122.03 1wh0 n ARG 43 Ca -0.12 0.22 -0.18 0.00 -0.77 0.00 0.00 57.85 57.01 1wh0 n ARG 43 Cb 0.43 -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 -0.44 -1.52 0.00 0.00 177.63 175.67 1wh0 h ASP 44 N 0.00 0.44 -0.21 0.55 3.32 -1.99 -3.35 116.42 115.17 1wh0 h ASP 44 Ca 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1wh0 h ASP 44 Cb 0.13 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1wh0 h ASP 44 CO 0.00 1.47 0.00 0.35 -1.72 0.00 0.00 179.24 179.34 1wh0 n THR 45 N -3.49 1.01 -3.83 0.35 -2.24 -0.89 -4.94 114.28 100.25 1wh0 n THR 45 Ca -0.16 -1.01 -0.36 0.00 -2.27 0.00 0.00 64.05 60.25 1wh0 n THR 45 Cb 1.05 0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 69.63 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 -1.02 4.86 0.40 3.42 0.01 0.47 -4.49 113.70 117.34 1wh0 s SER 46 Ca 0.14 -0.82 0.03 0.00 1.31 0.00 0.00 55.95 56.62 1wh0 s SER 46 Cb 0.08 -1.80 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 1wh0 s SER 46 CO 0.09 -0.18 0.10 0.00 0.41 0.00 0.00 173.24 173.66 1wh0 s ARG 47 N 1.42 1.89 -0.03 12.44 1.70 0.47 -4.75 118.95 132.09 1wh0 s ARG 47 Ca 0.01 -2.14 -0.01 0.00 -0.47 0.00 0.00 55.73 53.12 1wh0 s ARG 47 Cb -0.17 -0.78 0.03 0.00 -0.57 0.00 0.00 34.95 33.46 1wh0 s ARG 47 CO 0.00 -0.39 0.05 0.08 -1.08 0.00 0.00 175.30 173.95 1wh0 s VAL 48 N -3.19 -0.08 -0.40 4.99 1.01 -1.26 -0.16 120.40 121.29 1wh0 s VAL 48 Ca 0.25 0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 1wh0 s VAL 48 Cb 0.04 -0.12 0.05 0.00 0.00 0.00 0.00 36.38 36.35 1wh0 s VAL 48 CO 0.13 0.13 0.26 -0.76 0.00 0.00 0.00 175.10 174.86 1wh0 s LEU 49 N 1.56 5.01 -0.53 3.92 1.43 0.10 -4.98 118.68 125.19 1wh0 s LEU 49 Ca -0.03 -1.16 -0.23 0.00 -1.03 0.00 0.00 54.13 51.68 1wh0 s LEU 49 Cb -0.13 -2.06 0.04 0.00 0.03 0.00 0.00 46.19 44.08 1wh0 s LEU 49 CO -0.03 -0.47 0.88 -0.36 0.23 0.00 0.00 176.35 176.60 1wh0 s PHE 50 N 1.55 2.85 0.57 0.29 0.08 -1.26 -0.05 117.98 122.01 1wh0 s PHE 50 Ca 0.03 -0.06 -0.08 0.00 0.12 0.00 0.00 56.93 56.94 1wh0 s PHE 50 Cb -0.21 -3.96 0.13 0.00 -0.57 0.00 0.00 43.02 38.41 1wh0 s PHE 50 CO 0.06 -1.27 0.78 0.54 -0.10 0.00 0.00 175.22 175.23 1wh0 n ARG 51 N 7.20 -0.55 0.11 0.44 5.12 0.54 -4.60 116.66 124.92 1wh0 n ARG 51 Ca 0.01 -1.41 -0.23 0.00 -1.93 0.00 0.00 57.85 54.29 1wh0 n ARG 51 Cb 0.47 -0.74 -0.15 0.00 -1.16 0.00 0.00 32.46 30.88 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 -1.96 -3.34 114.58 119.40 1wh0 h GLU 52 Ca -0.25 -0.77 0.00 0.00 0.07 0.00 0.00 59.36 58.41 1wh0 h GLU 52 Cb 0.75 0.29 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1wh0 h GLU 52 CO 0.20 1.36 -0.00 0.94 0.07 0.00 0.00 179.01 181.58 1wh0 n GLN 53 N -3.64 1.57 -3.02 1.06 7.27 -1.26 0.31 117.38 119.67 1wh0 n GLN 53 Ca -0.20 -2.37 -0.03 0.00 0.07 0.00 0.00 57.00 54.47 1wh0 n GLN 53 Cb 1.09 -1.40 0.02 0.00 2.41 0.00 0.00 30.24 32.35 1wh0 n GLN 53 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 1wh0 n ASP 54 N -1.26 -1.23 -3.46 1.69 5.75 -1.26 -2.03 116.55 114.75 1wh0 n ASP 54 Ca 0.13 -1.69 0.01 0.00 -0.01 0.00 0.00 54.79 53.23 1wh0 n ASP 54 Cb 0.57 2.01 -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 -3.59 -1.43 0.00 2.11 -0.12 -1.09 -0.34 117.98 113.52 1wh0 s PHE 55 Ca 0.14 2.08 -0.08 0.00 -0.05 0.00 0.00 56.93 59.02 1wh0 s PHE 55 Cb -0.02 0.71 -0.05 0.00 -0.63 0.00 0.00 43.02 43.03 1wh0 s PHE 55 CO 0.04 -0.74 0.29 0.99 -0.05 0.00 0.00 175.22 175.76 1wh0 s THR 56 N 2.88 5.26 -0.25 -4.49 2.01 0.92 -2.44 115.64 119.53 1wh0 s THR 56 Ca 0.04 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1wh0 s THR 56 Cb -0.13 -3.58 0.07 0.00 0.01 0.00 0.00 72.50 68.87 1wh0 s THR 56 CO -0.20 0.42 -0.02 -0.22 -0.69 0.00 0.00 174.62 173.91 1wh0 s LEU 57 N -1.59 2.53 -0.33 4.42 2.96 0.14 0.03 118.68 126.84 1wh0 s LEU 57 Ca 0.26 -1.26 -0.10 0.00 -0.22 0.00 0.00 54.13 52.82 1wh0 s LEU 57 Cb -0.14 -1.11 0.01 0.00 0.50 0.00 0.00 46.19 45.45 1wh0 s LEU 57 CO 0.14 -0.27 0.16 -0.63 -1.32 0.00 0.00 176.35 174.43 1wh0 s ILE 58 N 1.44 4.49 -0.09 6.68 1.09 0.77 -1.72 121.20 133.86 1wh0 s ILE 58 Ca -0.02 -0.61 -0.11 0.00 -1.10 0.00 0.00 60.65 58.81 1wh0 s ILE 58 Cb -0.18 -3.36 0.03 0.00 -1.06 0.00 0.00 42.46 37.88 1wh0 s ILE 58 CO -0.09 -0.03 0.29 0.72 -0.10 0.00 0.00 174.94 175.73 1wh0 s PHE 59 N 1.57 -0.27 -0.41 3.97 -0.12 -1.17 0.18 117.98 121.73 1wh0 s PHE 59 Ca 0.03 0.63 -0.12 0.00 -0.05 0.00 0.00 56.93 57.43 1wh0 s PHE 59 Cb -0.18 0.10 0.05 0.00 -0.63 0.00 0.00 43.02 42.36 1wh0 s PHE 59 CO 0.06 -0.20 0.26 -0.65 -0.05 0.00 0.00 175.22 174.64 1wh0 s GLN 60 N -0.21 2.80 0.08 1.99 -0.21 -1.26 -3.55 119.66 119.30 1wh0 s GLN 60 Ca -0.03 -1.23 -0.09 0.00 0.02 0.00 0.00 55.36 54.02 1wh0 s GLN 60 Cb -0.03 -3.84 -0.06 0.00 1.00 0.00 0.00 33.01 30.08 1wh0 s GLN 60 CO 0.01 -0.83 0.39 -0.08 -2.12 0.00 0.00 175.29 172.66 1wh0 s THR 61 N 1.54 5.11 -0.16 -0.19 -1.32 -1.26 -2.07 115.64 117.30 1wh0 s THR 61 Ca 0.03 0.41 0.16 0.00 -1.21 0.00 0.00 61.69 61.08 1wh0 s THR 61 Cb -0.21 -3.64 0.33 0.00 -1.51 0.00 0.00 72.50 67.47 1wh0 s THR 61 CO 0.06 0.28 1.17 0.54 -2.21 0.00 0.00 174.62 174.46 1wh0 n ARG 62 N 0.88 1.35 -3.32 7.08 1.74 0.16 -4.16 116.66 120.39 1wh0 n ARG 62 Ca -0.08 -2.81 -0.38 0.00 -0.77 0.00 0.00 57.85 53.81 1wh0 n ARG 62 Cb 0.52 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.39 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 -2.96 6.61 0.54 0.55 2.15 -1.24 -4.90 116.67 117.42 1wh0 s ASP 63 Ca 0.34 0.72 0.22 0.00 0.43 0.00 0.00 52.55 54.26 1wh0 s ASP 63 Cb 0.31 -2.27 1.49 0.00 -0.30 0.00 0.00 42.92 42.15 1wh0 s ASP 63 CO -0.01 -0.04 2.18 1.23 -0.17 0.00 0.00 175.17 178.35 1wh0 h GLY 64 N 7.11 0.00 0.75 2.66 0.00 -1.95 0.12 103.07 111.77 1wh0 h GLY 64 Ca -0.39 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1wh0 h GLY 64 CO 0.75 0.00 -0.02 3.43 0.00 0.00 0.00 176.54 180.70 1wh0 h ASN 65 N 0.00 0.24 0.44 0.19 2.35 -1.99 0.23 115.58 117.05 1wh0 h ASN 65 Ca -0.00 -0.35 -0.22 0.00 -0.55 0.00 0.00 56.30 55.18 1wh0 h ASN 65 Cb 0.05 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1wh0 h ASN 65 CO 0.00 0.53 -0.94 0.15 -1.65 0.00 0.00 177.43 175.52 1wh0 h PHE 66 N -0.05 0.50 0.01 1.19 3.04 -1.83 -3.31 116.94 116.49 1wh0 h PHE 66 Ca 0.03 -0.28 -0.00 0.00 3.98 0.00 0.00 57.97 61.70 1wh0 h PHE 66 Cb 0.42 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1wh0 h PHE 66 CO 0.05 1.11 -0.01 -0.07 -2.02 0.00 0.00 178.31 177.36 1wh0 h LEU 67 N 0.18 -0.01 -0.99 0.59 3.38 -0.77 -3.17 115.31 114.52 1wh0 h LEU 67 Ca -0.07 -0.48 0.35 0.00 0.09 0.00 0.00 57.88 57.77 1wh0 h LEU 67 Cb 1.59 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 42.17 1wh0 h LEU 67 CO 0.16 0.48 0.47 0.03 0.09 0.00 0.00 178.44 179.67 1wh0 h ARG 68 N -0.51 0.14 -1.00 1.13 3.08 -0.63 1.00 114.38 117.59 1wh0 h ARG 68 Ca -0.00 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.10 1wh0 h ARG 68 Cb 0.50 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.45 1wh0 h ARG 68 CO 0.00 0.09 0.64 -0.07 -1.07 0.00 0.00 179.97 179.57 1wh0 h LEU 69 N 0.14 1.03 -7.82 3.04 3.38 -1.63 -3.32 115.31 110.13 1wh0 h LEU 69 Ca 0.75 0.01 -0.75 0.00 0.09 0.00 0.00 57.88 57.98 1wh0 h LEU 69 Cb 1.83 -0.21 -0.29 0.00 0.09 0.00 0.00 40.66 42.08 1wh0 h LEU 69 CO -0.71 0.66 -0.14 -1.00 0.09 0.00 0.00 178.44 177.34 1wh0 s HIS 70 N -6.04 3.55 0.46 1.13 3.76 0.35 -5.07 115.29 113.43 1wh0 s HIS 70 Ca -0.12 -2.07 -0.23 0.00 -0.15 0.00 0.00 55.06 52.49 1wh0 s HIS 70 Cb 0.20 -3.61 -0.07 0.00 1.11 0.00 0.00 32.58 30.21 1wh0 s HIS 70 CO 0.81 -0.96 1.16 -1.25 -0.85 0.00 0.00 174.74 173.66 1wh0 s PRO 71 N 0.49 3.75 0.00 8.40 0.04 -1.25 -3.23 135.00 143.20 1wh0 s PRO 71 Ca 0.14 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1wh0 s PRO 71 Cb -0.18 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.97 1wh0 s PRO 71 CO -0.05 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.84 1wh0 n GLY 72 N 0.44 1.57 3.81 0.56 0.00 -1.26 -5.03 105.19 105.27 1wh0 n GLY 72 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1wh0 n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 n GLY 74 N -1.72 2.70 0.23 0.00 0.00 -1.26 -5.02 105.19 100.12 1wh0 n GLY 74 Ca 0.04 -1.22 0.11 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.92 -2.54 132.00 128.64 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 0.20 0.00 -2.39 -0.23 0.00 0.00 178.00 175.58 1wh0 n HIS 76 N -3.44 1.24 -3.50 1.56 1.44 -1.26 -4.46 115.22 106.79 1wh0 n HIS 76 Ca -0.00 -0.50 -0.42 0.00 -2.01 0.00 0.00 57.72 54.79 1wh0 n HIS 76 Cb 0.38 -0.19 -0.10 0.00 0.12 0.00 0.00 29.99 30.20 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 -1.71 5.21 0.42 0.61 2.01 -0.96 -5.06 115.64 116.15 1wh0 s THR 77 Ca 0.44 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 61.70 1wh0 s THR 77 Cb 0.28 -3.80 -0.09 0.00 0.01 0.00 0.00 72.50 68.90 1wh0 s THR 77 CO 0.23 -0.17 1.36 -0.89 -0.69 0.00 0.00 174.62 174.45 1wh0 s THR 78 N 1.69 2.40 -0.17 -0.82 2.01 -1.26 -4.69 115.64 114.79 1wh0 s THR 78 Ca 0.05 0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.42 1wh0 s THR 78 Cb -0.18 -3.21 0.03 0.00 0.01 0.00 0.00 72.50 69.14 1wh0 s THR 78 CO 0.10 0.05 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.59 1wh0 s PHE 79 N -1.23 2.27 -0.36 4.92 0.08 -1.23 -1.07 117.98 121.36 1wh0 s PHE 79 Ca 0.58 -1.37 -0.13 0.00 0.12 0.00 0.00 56.93 56.13 1wh0 s PHE 79 Cb -0.40 -1.62 -0.00 0.00 -0.57 0.00 0.00 43.02 40.42 1wh0 s PHE 79 CO 0.52 -0.70 0.25 0.50 -0.10 0.00 0.00 175.22 175.69 1wh0 s ARG 80 N 1.45 3.27 -0.42 0.44 3.52 0.18 -3.02 118.95 124.36 1wh0 s ARG 80 Ca 0.03 -0.80 -0.07 0.00 -0.13 0.00 0.00 55.73 54.76 1wh0 s ARG 80 Cb -0.14 -3.83 0.10 0.00 -1.56 0.00 0.00 34.95 29.52 1wh0 s ARG 80 CO -0.10 -0.55 0.25 -0.46 -0.81 0.00 0.00 175.30 173.63 1wh0 s TRP 81 N 1.69 3.43 -0.18 5.12 -0.00 -0.70 -0.13 118.94 128.17 1wh0 s TRP 81 Ca 0.05 -1.91 -0.06 0.00 -0.00 0.00 0.00 56.10 54.18 1wh0 s TRP 81 Cb -0.18 -3.12 -0.04 0.00 -0.00 0.00 0.00 33.47 30.13 1wh0 s TRP 81 CO 0.10 -0.92 0.04 -1.14 -0.00 0.00 0.00 176.95 175.02 1wh0 s GLN 82 N 1.31 3.87 -0.15 5.86 0.74 -1.26 0.29 119.66 130.32 1wh0 s GLN 82 Ca 0.05 -0.40 -0.01 0.00 0.05 0.00 0.00 55.36 55.04 1wh0 s GLN 82 Cb -0.24 -3.14 -0.02 0.00 1.10 0.00 0.00 33.01 30.71 1wh0 s GLN 82 CO -0.01 0.23 -0.10 0.08 -0.55 0.00 0.00 175.29 174.94 1wh0 s VAL 83 N 0.47 3.25 -0.55 1.34 1.01 -1.02 -4.99 120.40 119.91 1wh0 s VAL 83 Ca 0.01 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 1wh0 s VAL 83 Cb -0.13 -2.39 0.08 0.00 0.00 0.00 0.00 36.38 33.93 1wh0 s VAL 83 CO 0.01 0.51 0.67 -0.75 0.00 0.00 0.00 175.10 175.54 1wh0 s LYS 84 N 0.49 3.09 -0.14 2.72 2.20 -1.26 -2.68 119.74 124.17 1wh0 s LYS 84 Ca -0.07 -1.07 -0.26 0.00 -0.36 0.00 0.00 55.97 54.21 1wh0 s LYS 84 Cb -0.15 -4.17 -0.02 0.00 -1.51 0.00 0.00 37.83 31.98 1wh0 s LYS 84 CO 0.04 -1.38 0.85 -0.51 -0.36 0.00 0.00 175.35 173.99 1wh0 s LEU 85 N 2.70 4.21 0.05 5.43 1.43 -0.86 0.73 118.68 132.37 1wh0 s LEU 85 Ca 0.14 1.25 -0.14 0.00 -1.03 0.00 0.00 54.13 54.35 1wh0 s LEU 85 Cb -0.21 -3.27 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 1wh0 s LEU 85 CO 0.09 -0.36 1.23 0.03 0.23 0.00 0.00 176.35 177.57 1wh0 h ARG 86 N 7.20 -0.20 0.00 1.70 2.47 -1.83 -3.43 114.38 120.28 1wh0 h ARG 86 Ca -0.32 0.01 -0.37 0.00 -1.26 0.00 0.00 59.98 58.05 1wh0 h ARG 86 Cb 1.15 0.05 0.14 0.00 -1.65 0.00 0.00 29.97 29.65 1wh0 h ARG 86 CO 0.82 -0.13 0.33 -1.71 0.56 0.00 0.00 179.97 179.84 1wh0 n ASN 87 N -3.80 0.22 -4.94 7.04 2.85 -1.26 -5.08 115.26 110.29 1wh0 n ASN 87 Ca -0.02 -1.48 -0.24 0.00 -0.11 0.00 0.00 54.58 52.73 1wh0 n ASN 87 Cb 0.15 -0.83 0.06 0.00 1.24 0.00 0.00 39.78 40.40 1wh0 n ASN 87 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1wh0 s LEU 88 N 0.00 2.96 0.26 1.20 1.43 -1.26 -4.76 118.68 118.50 1wh0 s LEU 88 Ca 0.63 0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 53.90 1wh0 s LEU 88 Cb -0.02 -3.02 -0.00 0.00 0.03 0.00 0.00 46.19 43.18 1wh0 s LEU 88 CO 0.44 -1.46 0.50 0.27 0.23 0.00 0.00 176.35 176.32 1wh0 s ILE 89 N -3.10 0.00 -0.53 -0.59 -4.36 0.15 -3.76 121.20 109.01 1wh0 s ILE 89 Ca 0.59 -1.39 -0.03 0.00 -0.26 0.00 0.00 60.65 59.56 1wh0 s ILE 89 Cb -0.11 -2.23 0.14 0.00 1.25 0.00 0.00 42.46 41.51 1wh0 s ILE 89 CO 0.43 0.00 0.34 -1.61 0.24 0.00 0.00 174.94 174.34 1wh0 s GLU 90 N -3.93 2.34 0.18 0.37 8.01 0.33 -4.65 118.70 121.34 1wh0 s GLU 90 Ca 0.22 -2.21 0.21 0.00 0.01 0.00 0.00 54.97 53.20 1wh0 s GLU 90 Cb -0.01 -3.68 0.87 0.00 -4.31 0.00 0.00 34.13 27.00 1wh0 s GLU 90 CO 0.10 -1.13 1.63 -0.35 0.01 0.00 0.00 175.26 175.51 1wh0 n PRO 91 N 4.00 0.14 0.09 0.39 -0.04 -1.25 -2.45 135.00 135.88 1wh0 n PRO 91 Ca 0.03 0.38 0.10 0.00 -0.04 0.00 0.00 63.50 63.97 1wh0 n PRO 91 Cb 0.39 -1.76 0.44 0.00 -0.04 0.00 0.00 33.50 32.53 1wh0 n PRO 91 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wh0 n GLU 92 N -2.02 0.14 -0.01 0.54 1.02 -1.26 -2.83 120.64 116.22 1wh0 n GLU 92 Ca 0.02 0.37 0.02 0.00 -0.02 0.00 0.00 57.16 57.55 1wh0 n GLU 92 Cb 0.21 -1.76 -0.04 0.00 -0.02 0.00 0.00 31.44 29.83 1wh0 n GLU 92 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1wh0 n GLN 93 N -2.02 0.66 -1.43 3.49 6.02 -1.02 -5.04 117.38 118.03 1wh0 n GLN 93 Ca 0.03 -0.04 -0.37 0.00 -0.01 0.00 0.00 57.00 56.61 1wh0 n GLN 93 Cb 0.22 -1.12 0.07 0.00 1.02 0.00 0.00 30.24 30.42 1wh0 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wh0 s THR 95 N -1.74 0.26 -0.09 0.00 -4.23 -0.74 -4.98 115.64 104.11 1wh0 s THR 95 Ca 0.72 -0.41 -0.00 0.00 -1.18 0.00 0.00 61.69 60.82 1wh0 s THR 95 Cb -0.38 -0.27 0.02 0.00 1.34 0.00 0.00 72.50 73.21 1wh0 s THR 95 CO 0.51 -0.10 -0.06 0.72 -0.54 0.00 0.00 174.62 175.15 1wh0 s PHE 96 N -0.51 1.20 -0.14 3.99 -0.12 -1.26 -0.87 117.98 120.26 1wh0 s PHE 96 Ca -0.04 -0.52 -0.12 0.00 -0.05 0.00 0.00 56.93 56.21 1wh0 s PHE 96 Cb -0.04 -1.05 0.04 0.00 -0.63 0.00 0.00 43.02 41.34 1wh0 s PHE 96 CO -0.00 -0.42 0.37 0.00 -0.05 0.00 0.00 175.22 175.12 1wh0 s PHE 98 N 0.47 3.51 0.09 0.00 0.40 -1.26 -0.43 117.98 120.77 1wh0 s PHE 98 Ca -0.02 1.40 0.01 0.00 -0.60 0.00 0.00 56.93 57.71 1wh0 s PHE 98 Cb -0.04 -2.76 -0.00 0.00 0.51 0.00 0.00 43.02 40.73 1wh0 s PHE 98 CO -0.02 -0.48 0.02 0.25 0.70 0.00 0.00 175.22 175.69 1wh0 n THR 99 N -1.98 0.00 0.00 0.64 -2.24 0.39 -4.80 114.28 106.29 1wh0 n THR 99 Ca 0.06 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 1wh0 n THR 99 Cb 0.54 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 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 -2.62 0.00 -1.41 6.98 0.00 -1.26 -3.68 120.51 118.52 1wh0 n ALA 100 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.47 1wh0 n ALA 100 Cb 0.13 0.29 0.12 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.50 1.74 -3.91 0.00 3.41 -1.26 -4.91 113.62 107.18 1wh0 n SER 101 Ca 0.00 -2.98 -0.09 0.00 -0.26 0.00 0.00 58.87 55.53 1wh0 n SER 101 Cb 0.00 -0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 63.49 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 -2.27 1.28 -0.08 4.33 1.70 -1.21 -2.81 118.95 119.89 1wh0 s ARG 102 Ca 0.27 -1.11 0.00 0.00 -0.47 0.00 0.00 55.73 54.43 1wh0 s ARG 102 Cb 0.25 0.43 -0.03 0.00 -0.57 0.00 0.00 34.95 35.03 1wh0 s ARG 102 CO -0.00 -0.50 -0.07 0.42 -1.08 0.00 0.00 175.30 174.07 1wh0 s ILE 103 N -3.95 3.72 -0.20 4.99 1.01 -0.61 0.15 121.20 126.31 1wh0 s ILE 103 Ca 0.16 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.30 1wh0 s ILE 103 Cb 0.02 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1wh0 s ILE 103 CO 0.01 0.59 -0.04 -0.62 0.00 0.00 0.00 174.94 174.88 1wh0 s ASP 104 N -0.71 4.49 -0.18 3.58 2.15 0.43 -1.90 116.67 124.52 1wh0 s ASP 104 Ca 0.11 -0.30 -0.01 0.00 0.43 0.00 0.00 52.55 52.79 1wh0 s ASP 104 Cb -0.11 -1.76 0.05 0.00 -0.30 0.00 0.00 42.92 40.80 1wh0 s ASP 104 CO 0.02 0.05 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.40 1wh0 s ILE 105 N 1.07 1.04 -0.37 4.11 1.01 -1.07 -1.36 121.20 125.64 1wh0 s ILE 105 Ca 0.01 -0.71 -0.20 0.00 0.00 0.00 0.00 60.65 59.75 1wh0 s ILE 105 Cb -0.15 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.02 1wh0 s ILE 105 CO 0.00 0.01 0.61 0.00 0.00 0.00 0.00 174.94 175.57 1wh0 s LEU 107 N 2.67 3.95 -0.30 0.00 1.43 -0.01 -1.79 118.68 124.63 1wh0 s LEU 107 Ca 0.23 0.12 -0.08 0.00 -1.03 0.00 0.00 54.13 53.37 1wh0 s LEU 107 Cb -0.15 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1wh0 s LEU 107 CO 0.15 0.16 0.11 -0.60 0.23 0.00 0.00 176.35 176.40 1wh0 s ARG 108 N 0.46 3.14 0.71 1.70 6.06 -1.26 -1.62 118.95 128.14 1wh0 s ARG 108 Ca 0.05 -0.83 -0.10 0.00 -2.50 0.00 0.00 55.73 52.34 1wh0 s ARG 108 Cb -0.12 -3.45 0.03 0.00 0.06 0.00 0.00 34.95 31.47 1wh0 s ARG 108 CO -0.00 -0.45 1.08 0.15 -2.50 0.00 0.00 175.30 173.58 1wh0 s LYS 109 N 1.53 2.64 0.11 5.12 1.02 -1.07 -0.52 119.74 128.58 1wh0 s LYS 109 Ca 0.03 0.27 -0.14 0.00 0.02 0.00 0.00 55.97 56.15 1wh0 s LYS 109 Cb -0.17 -2.05 -0.07 0.00 -0.52 0.00 0.00 37.83 35.01 1wh0 s LYS 109 CO 0.04 -1.11 1.45 0.00 -0.92 0.00 0.00 175.35 174.80 1wh0 h ARG 110 N -0.66 0.74 0.00 1.68 3.08 -1.89 -3.42 114.38 113.91 1wh0 h ARG 110 Ca -0.45 -0.37 -0.37 0.00 0.07 0.00 0.00 59.98 58.86 1wh0 h ARG 110 Cb 1.27 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.23 1wh0 h ARG 110 CO 0.64 0.98 -0.35 1.04 -1.07 0.00 0.00 179.97 181.21 1wh0 n GLN 111 N -4.26 0.35 -0.70 0.04 1.13 -1.26 -5.03 117.38 107.64 1wh0 n GLN 111 Ca -0.03 -2.63 -0.08 0.00 -1.94 0.00 0.00 57.00 52.32 1wh0 n GLN 111 Cb 0.45 2.19 0.01 0.00 0.11 0.00 0.00 30.24 33.00 1wh0 n GLN 111 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1wh0 n SER 112 N -1.93 5.81 -4.73 1.08 2.88 -1.26 -4.75 113.62 110.72 1wh0 n SER 112 Ca 0.06 -2.69 -0.33 0.00 -1.33 0.00 0.00 58.87 54.58 1wh0 n SER 112 Cb 0.48 -1.12 -0.08 0.00 -0.75 0.00 0.00 64.21 62.74 1wh0 n SER 112 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wh0 s GLN 113 N -0.70 2.93 -0.05 -1.46 0.00 -1.26 -5.01 119.66 114.11 1wh0 s GLN 113 Ca 0.17 -0.54 -0.02 0.00 -0.00 0.00 0.00 55.36 54.96 1wh0 s GLN 113 Cb 0.12 -2.77 -0.04 0.00 0.00 0.00 0.00 33.01 30.32 1wh0 s GLN 113 CO -0.01 0.64 0.09 -0.98 0.00 0.00 0.00 175.29 175.03 1wh0 s ARG 114 N -1.62 3.17 0.05 9.60 1.70 -1.26 -5.00 118.95 125.59 1wh0 s ARG 114 Ca 0.21 -0.37 0.20 0.00 -0.47 0.00 0.00 55.73 55.30 1wh0 s ARG 114 Cb -0.12 -2.94 -0.16 0.00 -0.57 0.00 0.00 34.95 31.16 1wh0 s ARG 114 CO 0.12 0.69 0.72 0.91 -1.08 0.00 0.00 175.30 176.65 1wh0 n TRP 115 N 1.54 0.60 -0.55 5.89 8.01 -1.26 -4.98 117.44 126.69 1wh0 n TRP 115 Ca -0.16 0.19 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 1wh0 n TRP 115 Cb 0.53 -0.88 0.00 0.00 -2.01 0.00 0.00 31.31 28.96 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 1.33 0.67 0.00 6.99 0.00 -1.26 -5.01 105.19 107.91 1wh0 n GLY 116 Ca -0.08 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.55 0.79 0.26 -0.02 0.00 -1.26 -5.04 105.19 97.37 1wh0 n GLY 117 Ca 0.00 0.59 -0.07 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.67 -4.81 0.99 7.94 -1.26 -4.47 117.00 114.72 1wh0 n LEU 118 Ca 0.00 1.22 -0.22 0.00 -1.11 0.00 0.00 56.01 55.90 1wh0 n LEU 118 Cb 0.00 -0.20 -0.05 0.00 0.53 0.00 0.00 43.42 43.71 1wh0 n LEU 118 CO 0.00 -0.96 -0.13 -1.83 -1.11 0.00 0.00 177.39 173.35 1wh0 s GLU 119 N -5.04 2.64 0.21 1.96 4.04 -1.26 -4.35 118.70 116.90 1wh0 s GLU 119 Ca -0.08 -1.33 -0.30 0.00 0.04 0.00 0.00 54.97 53.31 1wh0 s GLU 119 Cb 0.07 -2.40 -0.08 0.00 0.02 0.00 0.00 34.13 31.74 1wh0 s GLU 119 CO 0.39 0.15 1.19 0.00 -1.84 0.00 0.00 175.26 175.16 1wh0 s ALA 120 N -2.31 3.44 1.08 -0.84 0.00 0.22 -4.85 121.76 118.51 1wh0 s ALA 120 Ca 0.39 0.97 -0.07 0.00 0.00 0.00 0.00 51.96 53.25 1wh0 s ALA 120 Cb -0.05 -3.41 0.10 0.00 0.00 0.00 0.00 23.12 19.76 1wh0 s ALA 120 CO 0.25 -0.36 0.35 -0.35 0.00 0.00 0.00 175.76 175.65 1wh0 n PRO 121 N 2.19 -1.70 -2.97 0.00 -0.04 -1.26 -4.57 135.00 126.65 1wh0 n PRO 121 Ca 0.03 -0.56 -0.12 0.00 -0.04 0.00 0.00 63.50 62.82 1wh0 n PRO 121 Cb 0.44 -0.52 0.05 0.00 -0.04 0.00 0.00 33.50 33.43 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 -3.60 -1.06 -3.72 0.55 0.00 -1.26 -5.01 120.51 106.41 1wh0 n ALA 122 Ca -0.07 0.07 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 1wh0 n ALA 122 Cb 0.19 -2.34 -0.13 0.00 0.00 0.00 0.00 19.45 17.17 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 -3.21 2.08 -0.43 0.00 0.00 -1.26 -5.04 121.76 113.91 1wh0 s ALA 123 Ca 0.13 -2.48 0.02 0.00 0.00 0.00 0.00 51.96 49.63 1wh0 s ALA 123 Cb -0.06 -1.86 0.15 0.00 0.00 0.00 0.00 23.12 21.35 1wh0 s ALA 123 CO 0.44 -2.02 0.27 1.03 0.00 0.00 0.00 175.76 175.48 1wh0 s ARG 124 N 0.52 1.09 -0.41 0.00 0.52 -1.26 -5.07 118.95 114.34 1wh0 s ARG 124 Ca 0.17 -1.92 -0.03 0.00 -0.52 0.00 0.00 55.73 53.42 1wh0 s ARG 124 Cb -0.24 -1.95 0.11 0.00 0.52 0.00 0.00 34.95 33.39 1wh0 s ARG 124 CO -0.02 -1.22 0.20 0.08 0.02 0.00 0.00 175.30 174.36 1wh0 s VAL 125 N 0.38 3.26 0.00 3.52 1.01 -1.26 -4.76 120.40 122.55 1wh0 s VAL 125 Ca 0.21 -2.09 0.00 0.00 0.00 0.00 0.00 61.98 60.10 1wh0 s VAL 125 Cb -0.18 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1wh0 s VAL 125 CO -0.04 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 174.97 1wh0 n GLY 126 N 4.56 2.78 0.00 4.51 0.00 -1.26 -4.95 105.19 110.83 1wh0 n GLY 126 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.50 3.26 -0.02 0.00 -1.26 -5.12 105.19 100.54 1wh0 n GLY 127 Ca 0.00 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 1wh0 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wh0 s ALA 128 N -1.04 1.08 -0.18 4.61 0.00 -1.26 -5.18 121.76 119.79 1wh0 s ALA 128 Ca 0.00 -1.65 -0.29 0.00 0.00 0.00 0.00 51.96 50.03 1wh0 s ALA 128 Cb 0.00 1.36 0.12 0.00 0.00 0.00 0.00 23.12 24.60 1wh0 s ALA 128 CO 0.00 -0.63 0.96 -1.54 0.00 0.00 0.00 175.76 174.55 1wh0 s SER 129 N -3.17 -0.43 0.04 0.00 1.04 -1.26 -5.17 113.70 104.75 1wh0 s SER 129 Ca 0.37 0.57 -0.06 0.00 0.48 0.00 0.00 55.95 57.31 1wh0 s SER 129 Cb 0.05 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 1wh0 s SER 129 CO 0.14 -0.33 0.30 -0.83 0.98 0.00 0.00 173.24 173.49 1wh0 s GLY 130 N -0.78 2.25 0.26 7.32 0.00 -1.26 -5.07 107.32 110.05 1wh0 s GLY 130 Ca -0.02 -0.57 -0.29 0.00 0.00 0.00 0.00 44.72 43.84 1wh0 s GLY 130 CO 0.01 -0.41 1.26 2.56 0.00 0.00 0.00 173.10 176.52 1wh0 s PRO 131 N -1.97 4.43 -0.13 2.90 0.04 -1.26 -4.98 135.00 134.02 1wh0 s PRO 131 Ca 0.31 2.06 -0.09 0.00 0.04 0.00 0.00 61.00 63.32 1wh0 s PRO 131 Cb -0.13 -3.15 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 1wh0 s PRO 131 CO 0.19 -0.13 0.00 0.77 0.04 0.00 0.00 177.00 177.87 1wh0 h SER 132 N 4.32 0.00 -2.74 6.66 0.02 -2.09 -3.45 113.55 116.27 1wh0 h SER 132 Ca -0.47 -0.13 -0.53 0.00 -0.84 0.00 0.00 61.79 59.82 1wh0 h SER 132 Cb 1.22 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.78 1wh0 h SER 132 CO 0.71 0.76 0.95 -0.55 -1.14 0.00 0.00 176.83 177.56 1wh0 s SER 133 N -5.82 6.62 0.00 3.07 0.15 -1.26 -5.37 113.70 111.09 1wh0 s SER 133 Ca -0.11 2.49 0.00 0.00 0.70 0.00 0.00 55.95 59.03 1wh0 s SER 133 Cb 0.01 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1wh0 s SER 133 CO 0.21 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.41