#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 3.26 0.01 1.61 1.04 -1.26 -5.14 113.70 113.23 1wh0 s SER 2 Ca 0.00 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.87 1wh0 s SER 2 Cb 0.00 -0.33 -0.01 0.00 0.10 0.00 0.00 66.02 65.78 1wh0 s SER 2 CO 0.00 0.26 -0.03 -0.44 0.98 0.00 0.00 173.24 174.01 1wh0 s SER 3 N -1.28 0.29 -0.30 7.02 0.01 -1.26 -5.13 113.70 113.06 1wh0 s SER 3 Ca 0.12 -0.24 -0.11 0.00 1.31 0.00 0.00 55.95 57.03 1wh0 s SER 3 Cb -0.10 0.02 0.18 0.00 0.21 0.00 0.00 66.02 66.33 1wh0 s SER 3 CO 0.03 -0.10 1.04 -0.83 0.41 0.00 0.00 173.24 173.78 1wh0 s GLY 4 N -0.66 -0.74 -0.05 3.44 0.00 -1.26 -5.16 107.32 102.88 1wh0 s GLY 4 Ca -0.06 2.30 -0.03 0.00 0.00 0.00 0.00 44.72 46.93 1wh0 s GLY 4 CO -0.00 4.01 0.12 -1.35 0.00 0.00 0.00 173.10 175.87 1wh0 s SER 5 N 2.95 -0.10 0.84 1.64 1.04 -1.26 -5.16 113.70 113.65 1wh0 s SER 5 Ca 0.18 0.25 -0.12 0.00 0.48 0.00 0.00 55.95 56.74 1wh0 s SER 5 Cb -0.05 0.20 0.09 0.00 0.10 0.00 0.00 66.02 66.36 1wh0 s SER 5 CO -0.19 -0.09 1.10 -0.94 0.98 0.00 0.00 173.24 174.10 1wh0 s SER 6 N 0.55 4.14 0.00 7.02 1.04 -1.26 -4.72 113.70 120.47 1wh0 s SER 6 Ca -0.04 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.66 1wh0 s SER 6 Cb -0.06 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.10 1wh0 s SER 6 CO -0.02 -2.19 0.00 0.61 0.98 0.00 0.00 173.24 172.62 1wh0 n GLY 7 N -1.96 -0.04 0.29 7.32 0.00 -1.26 -5.02 105.19 104.52 1wh0 n GLY 7 Ca 0.07 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.82 1wh0 n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wh0 n VAL 8 N -0.66 1.62 -3.92 1.61 0.24 -1.26 -5.00 118.33 110.96 1wh0 n VAL 8 Ca 0.00 -1.69 -0.28 0.00 -2.04 0.00 0.00 64.34 60.32 1wh0 n VAL 8 Cb 0.30 0.05 -0.04 0.00 -1.47 0.00 0.00 33.84 32.68 1wh0 n VAL 8 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1wh0 n ASP 9 N -0.75 -0.85 -4.25 -1.34 2.03 -1.26 -4.76 116.55 105.37 1wh0 n ASP 9 Ca 0.12 -0.97 -0.38 0.00 0.52 0.00 0.00 54.79 54.09 1wh0 n ASP 9 Cb 0.56 -1.19 0.03 0.00 -0.72 0.00 0.00 41.12 39.81 1wh0 n ASP 9 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1wh0 n GLU 10 N -3.85 0.09 0.00 -0.67 -0.58 -1.26 -4.76 120.64 109.61 1wh0 n GLU 10 Ca -0.18 0.04 0.06 0.00 -0.42 0.00 0.00 57.16 56.66 1wh0 n GLU 10 Cb 0.48 -1.22 0.33 0.00 -0.57 0.00 0.00 31.44 30.46 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 1.15 0.49 -0.30 3.49 -0.04 -1.26 -4.04 135.00 134.48 1wh0 n PRO 11 Ca 0.06 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.56 1wh0 n PRO 11 Cb 0.50 -1.36 0.09 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.11 -0.33 0.54 0.28 -1.26 0.24 120.64 119.15 1wh0 n GLU 12 Ca 0.08 1.26 0.04 0.00 -0.16 0.00 0.00 57.16 58.39 1wh0 n GLU 12 Cb 0.04 -1.88 0.23 0.00 1.43 0.00 0.00 31.44 31.25 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 0.94 -4.23 -1.84 0.87 -1.94 -3.42 113.55 103.92 1wh0 h SER 13 Ca 0.36 0.02 -0.51 0.00 -1.23 0.00 0.00 61.79 60.43 1wh0 h SER 13 Cb 0.56 -0.18 0.11 0.00 -0.44 0.00 0.00 62.40 62.45 1wh0 h SER 13 CO -0.83 0.58 0.36 -0.04 -0.53 0.00 0.00 176.83 176.37 1wh0 s MET 14 N -5.94 2.67 -0.28 2.24 -1.94 0.66 -4.98 119.30 111.73 1wh0 s MET 14 Ca -0.12 1.33 -0.13 0.00 -1.71 0.00 0.00 55.69 55.06 1wh0 s MET 14 Cb 0.20 -1.94 -0.04 0.00 2.01 0.00 0.00 34.83 35.06 1wh0 s MET 14 CO 0.80 -1.35 0.28 0.08 -0.01 0.00 0.00 175.02 174.83 1wh0 s VAL 15 N -2.48 5.24 -0.17 -6.03 1.01 -0.78 -4.96 120.40 112.22 1wh0 s VAL 15 Ca 0.65 0.34 -0.22 0.00 0.00 0.00 0.00 61.98 62.76 1wh0 s VAL 15 Cb -0.20 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1wh0 s VAL 15 CO 0.45 0.19 0.67 0.20 0.00 0.00 0.00 175.10 176.61 1wh0 s ASN 16 N 1.70 6.77 0.10 3.32 0.01 -1.26 -0.11 114.94 125.47 1wh0 s ASN 16 Ca 0.11 0.93 -0.30 0.00 -0.71 0.00 0.00 52.86 52.89 1wh0 s ASN 16 Cb -0.16 -2.37 -0.06 0.00 0.41 0.00 0.00 41.25 39.07 1wh0 s ASN 16 CO 0.11 -0.27 1.10 -0.76 -1.51 0.00 0.00 177.10 175.77 1wh0 s LEU 17 N 1.77 4.43 -0.00 0.60 1.43 0.19 -4.85 118.68 122.24 1wh0 s LEU 17 Ca 0.31 1.96 0.12 0.00 -1.03 0.00 0.00 54.13 55.50 1wh0 s LEU 17 Cb -0.16 -3.59 -0.21 0.00 0.03 0.00 0.00 46.19 42.26 1wh0 s LEU 17 CO 0.12 -0.31 0.78 0.00 0.23 0.00 0.00 176.35 177.17 1wh0 h ALA 18 N 6.06 0.70 -2.39 4.21 0.00 -1.96 -3.41 119.26 122.47 1wh0 h ALA 18 Ca -0.43 -1.31 -0.06 0.00 0.00 0.00 0.00 54.91 53.12 1wh0 h ALA 18 Cb 1.21 0.37 -0.25 0.00 0.00 0.00 0.00 17.79 19.12 1wh0 h ALA 18 CO 0.76 1.45 -0.27 0.12 0.00 0.00 0.00 179.25 181.31 1wh0 s PHE 19 N -2.66 -0.89 -0.15 0.00 5.36 -1.26 -5.09 117.98 113.30 1wh0 s PHE 19 Ca -0.03 1.69 0.02 0.00 -0.96 0.00 0.00 56.93 57.64 1wh0 s PHE 19 Cb 0.08 0.43 0.01 0.00 -0.34 0.00 0.00 43.02 43.20 1wh0 s PHE 19 CO 0.82 -0.49 -0.21 0.08 -1.46 0.00 0.00 175.22 173.96 1wh0 s VAL 20 N 2.29 2.05 -0.34 3.12 1.01 -1.26 -5.07 120.40 122.20 1wh0 s VAL 20 Ca -0.05 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.69 1wh0 s VAL 20 Cb -0.10 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.39 1wh0 s VAL 20 CO -0.15 0.54 2.30 1.17 0.00 0.00 0.00 175.10 178.96 1wh0 n LYS 21 N 4.29 1.54 -3.93 2.72 0.00 -1.26 -4.89 118.16 116.62 1wh0 n LYS 21 Ca -0.20 0.32 -0.09 0.00 0.00 0.00 0.00 58.31 58.34 1wh0 n LYS 21 Cb 0.51 -3.20 -0.04 0.00 0.00 0.00 0.00 35.03 32.30 1wh0 n LYS 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1wh0 s ASN 22 N 9.53 -0.14 -0.11 3.14 2.20 -1.26 -0.19 114.94 128.10 1wh0 s ASN 22 Ca 1.02 -0.79 -0.05 0.00 -0.94 0.00 0.00 52.86 52.09 1wh0 s ASN 22 Cb -0.35 0.60 0.05 0.00 -2.00 0.00 0.00 41.25 39.55 1wh0 s ASN 22 CO 0.34 -1.15 0.25 -0.62 -2.94 0.00 0.00 177.10 172.98 1wh0 s ASP 23 N -2.97 -0.06 -0.07 3.54 2.15 0.88 -4.93 116.67 115.21 1wh0 s ASP 23 Ca 0.18 0.54 0.05 0.00 0.43 0.00 0.00 52.55 53.76 1wh0 s ASP 23 Cb -0.02 0.49 -0.01 0.00 -0.30 0.00 0.00 42.92 43.09 1wh0 s ASP 23 CO 0.06 -0.19 -0.24 -0.55 -0.17 0.00 0.00 175.17 174.08 1wh0 s SER 24 N 1.62 3.12 0.15 -0.34 0.15 -1.26 0.51 113.70 117.65 1wh0 s SER 24 Ca -0.06 -0.51 0.07 0.00 0.70 0.00 0.00 55.95 56.15 1wh0 s SER 24 Cb -0.11 -0.99 -0.04 0.00 -1.71 0.00 0.00 66.02 63.17 1wh0 s SER 24 CO -0.09 0.23 -0.03 -0.72 1.20 0.00 0.00 173.24 173.83 1wh0 s TYR 25 N -0.04 2.82 -0.28 3.44 -0.85 -0.81 -4.96 117.35 116.67 1wh0 s TYR 25 Ca -0.07 -0.13 -0.29 0.00 -0.52 0.00 0.00 57.07 56.05 1wh0 s TYR 25 Cb -0.15 -1.40 -0.00 0.00 0.38 0.00 0.00 41.96 40.79 1wh0 s TYR 25 CO 0.05 0.49 1.32 -1.21 -1.52 0.00 0.00 175.55 174.69 1wh0 s GLU 26 N -2.70 3.94 0.19 -3.49 2.02 -1.26 -2.95 118.70 114.45 1wh0 s GLU 26 Ca 0.26 1.33 0.11 0.00 0.02 0.00 0.00 54.97 56.68 1wh0 s GLU 26 Cb -0.10 -3.88 -0.04 0.00 0.10 0.00 0.00 34.13 30.21 1wh0 s GLU 26 CO 0.17 -1.09 -0.20 0.21 0.02 0.00 0.00 175.26 174.37 1wh0 s LYS 27 N 4.14 1.67 0.08 1.61 2.20 0.50 -5.00 119.74 124.93 1wh0 s LYS 27 Ca 0.57 -1.47 0.00 0.00 -0.36 0.00 0.00 55.97 54.71 1wh0 s LYS 27 Cb -0.18 -1.92 0.00 0.00 -1.51 0.00 0.00 37.83 34.22 1wh0 s LYS 27 CO 0.23 0.40 0.00 0.41 -0.36 0.00 0.00 175.35 176.03 1wh0 n GLY 28 N 0.15 0.33 0.08 5.54 0.00 -1.26 -1.40 105.19 108.63 1wh0 n GLY 28 Ca -0.12 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.07 0.00 1.61 0.13 -2.02 -3.37 132.00 128.28 1wh0 h PRO 29 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 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 0.39 -0.10 -0.40 -0.23 0.00 0.00 178.00 177.66 1wh0 n ASP 30 N -4.90 1.40 -4.71 1.44 5.68 -1.26 -4.66 116.55 109.55 1wh0 n ASP 30 Ca -0.08 -2.22 -0.41 0.00 -0.50 0.00 0.00 54.79 51.57 1wh0 n ASP 30 Cb 0.25 -0.19 -0.04 0.00 -1.14 0.00 0.00 41.12 40.00 1wh0 n ASP 30 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 1wh0 s SER 31 N -1.50 7.15 -0.25 -1.12 0.01 -0.49 -1.39 113.70 116.10 1wh0 s SER 31 Ca 0.11 1.39 -0.01 0.00 1.31 0.00 0.00 55.95 58.75 1wh0 s SER 31 Cb 0.10 -2.48 0.08 0.00 0.21 0.00 0.00 66.02 63.92 1wh0 s SER 31 CO 0.01 -0.18 0.04 -0.69 0.41 0.00 0.00 173.24 172.83 1wh0 s VAL 32 N 0.90 0.92 0.15 3.43 1.01 -0.52 -0.37 120.40 125.92 1wh0 s VAL 32 Ca 0.44 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 1wh0 s VAL 32 Cb -0.19 -1.48 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 1wh0 s VAL 32 CO 0.22 -0.38 0.59 -0.69 0.00 0.00 0.00 175.10 174.85 1wh0 s VAL 33 N 1.64 4.78 -0.04 2.92 1.01 -1.15 -0.32 120.40 129.24 1wh0 s VAL 33 Ca 0.02 0.98 0.05 0.00 0.00 0.00 0.00 61.98 63.03 1wh0 s VAL 33 Cb -0.18 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 1wh0 s VAL 33 CO -0.14 0.28 -0.18 -0.69 0.00 0.00 0.00 175.10 174.37 1wh0 s VAL 34 N -1.42 1.47 -0.33 2.92 1.01 -0.44 -1.92 120.40 121.69 1wh0 s VAL 34 Ca 0.38 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1wh0 s VAL 34 Cb -0.16 -1.26 0.09 0.00 0.00 0.00 0.00 36.38 35.06 1wh0 s VAL 34 CO 0.19 0.42 0.04 -1.00 0.00 0.00 0.00 175.10 174.76 1wh0 s HIS 35 N -0.08 3.65 -0.10 5.22 3.76 0.18 -2.46 115.29 125.46 1wh0 s HIS 35 Ca -0.01 -2.80 -0.20 0.00 -0.15 0.00 0.00 55.06 51.89 1wh0 s HIS 35 Cb -0.11 -2.78 -0.04 0.00 1.11 0.00 0.00 32.58 30.77 1wh0 s HIS 35 CO 0.02 -0.94 0.57 0.08 -0.85 0.00 0.00 174.74 173.62 1wh0 s VAL 36 N 0.97 5.12 -0.57 -0.90 1.01 -0.86 -0.08 120.40 125.09 1wh0 s VAL 36 Ca 0.07 1.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.95 1wh0 s VAL 36 Cb -0.20 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.31 1wh0 s VAL 36 CO -0.07 0.28 1.04 -0.31 0.00 0.00 0.00 175.10 176.04 1wh0 s TYR 37 N 0.78 2.70 -0.22 5.22 1.51 0.74 -1.48 117.35 126.60 1wh0 s TYR 37 Ca 0.31 0.09 -0.31 0.00 -1.01 0.00 0.00 57.07 56.15 1wh0 s TYR 37 Cb -0.16 -4.25 0.16 0.00 -0.11 0.00 0.00 41.96 37.60 1wh0 s TYR 37 CO 0.13 -1.47 1.20 0.54 -1.11 0.00 0.00 175.55 174.84 1wh0 s VAL 38 N 4.35 0.00 0.13 0.71 0.11 -0.94 -4.78 120.40 119.98 1wh0 s VAL 38 Ca 0.34 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.41 1wh0 s VAL 38 Cb -0.11 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 1wh0 s VAL 38 CO 0.20 0.00 0.07 0.29 -3.33 0.00 0.00 175.10 172.33 1wh0 n LYS 39 N 0.47 0.57 -4.02 1.54 5.02 -1.26 -2.86 118.16 117.62 1wh0 n LYS 39 Ca -0.04 -1.14 -0.33 0.00 -2.02 0.00 0.00 58.31 54.78 1wh0 n LYS 39 Cb 0.58 0.73 -0.03 0.00 -0.02 0.00 0.00 35.03 36.30 1wh0 n LYS 39 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wh0 n GLU 40 N -0.27 -2.96 -3.24 1.97 -0.58 -1.26 -3.73 120.64 110.56 1wh0 n GLU 40 Ca -0.00 0.35 -0.36 0.00 -0.42 0.00 0.00 57.16 56.73 1wh0 n GLU 40 Cb 0.20 -5.06 -0.06 0.00 -0.57 0.00 0.00 31.44 25.95 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 -3.15 4.72 -0.52 -3.67 1.01 -1.26 -0.86 121.20 117.45 1wh0 s ILE 41 Ca 0.66 1.10 -0.19 0.00 0.00 0.00 0.00 60.65 62.23 1wh0 s ILE 41 Cb -0.36 -3.83 0.07 0.00 0.01 0.00 0.00 42.46 38.35 1wh0 s ILE 41 CO 0.82 0.31 0.61 0.00 0.00 0.00 0.00 174.94 176.68 1wh0 n ARG 43 N 6.07 0.39 -0.02 0.00 1.74 -1.26 -1.06 116.66 122.53 1wh0 n ARG 43 Ca -0.08 0.05 -0.19 0.00 -0.77 0.00 0.00 57.85 56.86 1wh0 n ARG 43 Cb 0.44 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.09 1.89 -0.83 0.55 8.00 -1.26 -4.30 116.55 119.51 1wh0 n ASP 44 Ca 0.10 0.18 0.07 0.00 0.71 0.00 0.00 54.79 55.86 1wh0 n ASP 44 Cb 0.07 -0.65 0.23 0.00 -0.02 0.00 0.00 41.12 40.75 1wh0 n ASP 44 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1wh0 n THR 45 N -3.38 1.82 -4.09 -3.53 -2.24 -1.01 -4.92 114.28 96.93 1wh0 n THR 45 Ca -0.32 -1.54 -0.32 0.00 -2.27 0.00 0.00 64.05 59.60 1wh0 n THR 45 Cb 1.04 0.03 -0.16 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.55 3.48 0.40 3.42 0.01 -0.22 -4.36 113.70 114.87 1wh0 s SER 46 Ca 0.36 -0.86 0.04 0.00 1.31 0.00 0.00 55.95 56.79 1wh0 s SER 46 Cb 0.26 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 65.00 1wh0 s SER 46 CO 0.12 -0.07 0.11 0.00 0.41 0.00 0.00 173.24 173.81 1wh0 s ARG 47 N 1.26 1.90 -0.04 12.44 1.70 0.45 -4.77 118.95 131.88 1wh0 s ARG 47 Ca 0.01 -2.15 -0.01 0.00 -0.47 0.00 0.00 55.73 53.11 1wh0 s ARG 47 Cb -0.15 -0.70 0.03 0.00 -0.57 0.00 0.00 34.95 33.56 1wh0 s ARG 47 CO -0.10 -0.43 0.03 0.08 -1.08 0.00 0.00 175.30 173.79 1wh0 s VAL 48 N -3.21 0.09 -0.44 4.99 1.01 -1.26 -0.40 120.40 121.18 1wh0 s VAL 48 Ca 0.25 0.24 -0.15 0.00 0.00 0.00 0.00 61.98 62.31 1wh0 s VAL 48 Cb 0.03 -0.27 0.05 0.00 0.00 0.00 0.00 36.38 36.19 1wh0 s VAL 48 CO 0.14 0.18 0.35 -0.76 0.00 0.00 0.00 175.10 175.01 1wh0 s LEU 49 N 1.68 5.37 -0.43 3.92 1.43 0.21 -4.97 118.68 125.89 1wh0 s LEU 49 Ca -0.01 -1.14 -0.23 0.00 -1.03 0.00 0.00 54.13 51.73 1wh0 s LEU 49 Cb -0.13 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.95 1wh0 s LEU 49 CO -0.03 -0.55 0.76 -0.36 0.23 0.00 0.00 176.35 176.39 1wh0 s PHE 50 N 1.65 3.03 0.55 0.29 0.08 -1.26 0.39 117.98 122.71 1wh0 s PHE 50 Ca 0.04 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.30 1wh0 s PHE 50 Cb -0.22 -3.56 0.11 0.00 -0.57 0.00 0.00 43.02 38.78 1wh0 s PHE 50 CO 0.08 -0.92 0.75 0.54 -0.10 0.00 0.00 175.22 175.58 1wh0 n ARG 51 N 6.58 0.11 0.09 0.44 5.12 0.89 -4.64 116.66 125.26 1wh0 n ARG 51 Ca 0.02 -2.11 -0.23 0.00 -1.93 0.00 0.00 57.85 53.60 1wh0 n ARG 51 Cb 0.48 -0.48 -0.15 0.00 -1.16 0.00 0.00 32.46 31.15 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 0.42 -0.10 5.56 4.11 -1.97 -3.35 114.58 119.26 1wh0 h GLU 52 Ca -0.25 -0.72 -0.00 0.00 0.07 0.00 0.00 59.36 58.46 1wh0 h GLU 52 Cb 0.94 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 1wh0 h GLU 52 CO 0.27 1.35 -0.01 0.94 0.07 0.00 0.00 179.01 181.63 1wh0 n GLN 53 N -3.80 1.89 -3.13 1.06 7.27 -1.26 0.36 117.38 119.78 1wh0 n GLN 53 Ca -0.19 -2.69 0.00 0.00 0.07 0.00 0.00 57.00 54.19 1wh0 n GLN 53 Cb 1.02 -1.63 0.01 0.00 2.41 0.00 0.00 30.24 32.05 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 -1.10 -0.92 -3.40 1.69 5.75 -1.26 -2.55 116.55 114.77 1wh0 n ASP 54 Ca 0.18 -1.34 0.02 0.00 -0.01 0.00 0.00 54.79 53.64 1wh0 n ASP 54 Cb 0.74 1.46 -0.03 0.00 -1.03 0.00 0.00 41.12 42.26 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 -2.88 -1.22 0.05 2.11 -0.12 -1.19 -0.07 117.98 114.66 1wh0 s PHE 55 Ca 0.17 1.75 -0.11 0.00 -0.05 0.00 0.00 56.93 58.70 1wh0 s PHE 55 Cb -0.01 0.60 -0.06 0.00 -0.63 0.00 0.00 43.02 42.92 1wh0 s PHE 55 CO 0.01 -0.63 0.38 0.99 -0.05 0.00 0.00 175.22 175.93 1wh0 s THR 56 N 2.80 5.11 -0.27 -4.49 2.01 0.16 -3.28 115.64 117.68 1wh0 s THR 56 Ca 0.03 0.52 0.01 0.00 0.31 0.00 0.00 61.69 62.56 1wh0 s THR 56 Cb -0.12 -3.65 0.08 0.00 0.01 0.00 0.00 72.50 68.82 1wh0 s THR 56 CO -0.19 0.37 0.00 -0.22 -0.69 0.00 0.00 174.62 173.90 1wh0 s LEU 57 N -1.68 2.84 -0.32 4.42 2.96 -0.52 0.66 118.68 127.05 1wh0 s LEU 57 Ca 0.30 -1.44 -0.10 0.00 -0.22 0.00 0.00 54.13 52.66 1wh0 s LEU 57 Cb -0.14 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.37 1wh0 s LEU 57 CO 0.16 -0.30 0.18 -0.63 -1.32 0.00 0.00 176.35 174.44 1wh0 s ILE 58 N 1.37 4.76 -0.12 6.68 1.09 0.47 -2.00 121.20 133.45 1wh0 s ILE 58 Ca 0.01 -0.40 -0.14 0.00 -1.10 0.00 0.00 60.65 59.01 1wh0 s ILE 58 Cb -0.18 -3.45 0.04 0.00 -1.06 0.00 0.00 42.46 37.80 1wh0 s ILE 58 CO -0.11 0.03 0.39 0.72 -0.10 0.00 0.00 174.94 175.87 1wh0 s PHE 59 N 1.64 -0.40 -0.40 3.97 -0.12 -1.08 0.17 117.98 121.76 1wh0 s PHE 59 Ca 0.05 0.93 -0.11 0.00 -0.05 0.00 0.00 56.93 57.75 1wh0 s PHE 59 Cb -0.17 0.15 0.05 0.00 -0.63 0.00 0.00 43.02 42.41 1wh0 s PHE 59 CO 0.07 -0.25 0.24 -0.65 -0.05 0.00 0.00 175.22 174.58 1wh0 s GLN 60 N -0.07 2.75 0.19 1.99 -0.21 -1.26 -3.62 119.66 119.42 1wh0 s GLN 60 Ca -0.02 -1.24 -0.07 0.00 0.02 0.00 0.00 55.36 54.05 1wh0 s GLN 60 Cb -0.03 -3.78 -0.06 0.00 1.00 0.00 0.00 33.01 30.14 1wh0 s GLN 60 CO 0.01 -0.82 0.46 -0.08 -2.12 0.00 0.00 175.29 172.75 1wh0 s THR 61 N 1.51 5.06 -0.04 -0.19 -1.32 -1.26 -2.36 115.64 117.04 1wh0 s THR 61 Ca 0.02 0.21 0.06 0.00 -1.21 0.00 0.00 61.69 60.77 1wh0 s THR 61 Cb -0.21 -3.63 0.08 0.00 -1.51 0.00 0.00 72.50 67.23 1wh0 s THR 61 CO 0.05 -0.04 1.02 0.54 -2.21 0.00 0.00 174.62 173.98 1wh0 n ARG 62 N -0.10 2.29 -2.66 7.08 1.74 -0.04 -4.18 116.66 120.78 1wh0 n ARG 62 Ca -0.01 -1.75 -0.43 0.00 -0.77 0.00 0.00 57.85 54.89 1wh0 n ARG 62 Cb 0.52 -1.11 -0.03 0.00 -1.02 0.00 0.00 32.46 30.82 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 -1.50 6.50 0.57 0.55 2.15 -1.24 -4.88 116.67 118.80 1wh0 s ASP 63 Ca 0.09 0.15 0.39 0.00 0.43 0.00 0.00 52.55 53.61 1wh0 s ASP 63 Cb 0.08 -2.52 1.50 0.00 -0.30 0.00 0.00 42.92 41.68 1wh0 s ASP 63 CO 0.01 -1.31 1.65 1.23 -0.17 0.00 0.00 175.17 176.58 1wh0 h GLY 64 N 11.35 0.00 1.08 2.66 0.00 -1.94 0.77 103.07 116.98 1wh0 h GLY 64 Ca -0.24 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 1wh0 h GLY 64 CO 1.13 0.00 -0.01 3.43 0.00 0.00 0.00 176.54 181.09 1wh0 h ASN 65 N 0.00 1.03 1.04 0.19 2.35 -2.00 0.27 115.58 118.47 1wh0 h ASN 65 Ca 0.64 -0.31 -0.17 0.00 -0.55 0.00 0.00 56.30 55.90 1wh0 h ASN 65 Cb 2.77 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 40.83 1wh0 h ASN 65 CO -0.01 1.09 -1.01 0.15 -1.65 0.00 0.00 177.43 176.00 1wh0 h PHE 66 N 0.95 0.00 0.01 1.19 3.04 0.08 -3.35 116.94 118.86 1wh0 h PHE 66 Ca 0.17 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.12 1wh0 h PHE 66 Cb 0.57 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.08 1wh0 h PHE 66 CO 0.04 0.72 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.98 1wh0 h LEU 67 N 0.00 -0.02 -1.82 0.59 3.38 -0.88 -3.26 115.31 113.31 1wh0 h LEU 67 Ca -0.08 -0.78 0.42 0.00 0.09 0.00 0.00 57.88 57.53 1wh0 h LEU 67 Cb 1.62 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.30 1wh0 h LEU 67 CO 0.08 0.80 1.00 0.08 0.09 0.00 0.00 178.44 180.49 1wh0 h ARG 68 N -0.87 0.06 -0.54 1.13 0.11 -0.62 0.77 114.38 114.42 1wh0 h ARG 68 Ca -0.00 -0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.00 1wh0 h ARG 68 Cb 0.79 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.84 1wh0 h ARG 68 CO 0.00 0.04 0.05 -0.07 0.10 0.00 0.00 179.97 180.09 1wh0 h LEU 69 N 0.06 0.89 -7.85 0.08 3.38 -1.68 -3.37 115.31 106.82 1wh0 h LEU 69 Ca 0.72 -0.28 -0.74 0.00 0.09 0.00 0.00 57.88 57.67 1wh0 h LEU 69 Cb 2.68 -0.24 -0.29 0.00 0.09 0.00 0.00 40.66 42.90 1wh0 h LEU 69 CO -0.12 0.95 -0.21 -1.00 0.09 0.00 0.00 178.44 178.16 1wh0 s HIS 70 N -5.11 3.50 0.62 1.13 3.76 0.27 -5.07 115.29 114.38 1wh0 s HIS 70 Ca -0.12 -2.01 -0.17 0.00 -0.15 0.00 0.00 55.06 52.61 1wh0 s HIS 70 Cb 0.12 -3.58 -0.02 0.00 1.11 0.00 0.00 32.58 30.21 1wh0 s HIS 70 CO 0.82 -0.96 1.12 -1.25 -0.85 0.00 0.00 174.74 173.62 1wh0 s PRO 71 N 0.72 2.99 0.00 8.40 0.04 -1.26 -3.37 135.00 142.53 1wh0 s PRO 71 Ca 0.12 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1wh0 s PRO 71 Cb -0.20 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1wh0 s PRO 71 CO -0.03 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.31 1wh0 n GLY 72 N -0.29 2.13 3.79 0.56 0.00 -1.26 -5.01 105.19 105.11 1wh0 n GLY 72 Ca 0.11 0.00 -0.27 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 -1.39 3.88 0.17 0.00 0.00 -1.26 -5.00 105.19 101.58 1wh0 n GLY 74 Ca -0.05 -1.23 0.01 0.00 0.00 0.00 0.00 46.02 44.76 1wh0 n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh0 h PRO 75 N 0.00 0.00 -0.10 1.61 0.13 -1.93 -2.63 132.00 129.08 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 0.11 -2.93 1.56 1.44 -1.26 -4.46 115.22 105.75 1wh0 n HIS 76 Ca -0.01 -0.06 -0.42 0.00 -2.01 0.00 0.00 57.72 55.22 1wh0 n HIS 76 Cb 0.50 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.56 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 -1.89 4.84 0.31 0.61 2.01 -0.99 -5.03 115.64 115.51 1wh0 s THR 77 Ca 0.35 1.40 -0.29 0.00 0.31 0.00 0.00 61.69 63.46 1wh0 s THR 77 Cb 0.20 -4.10 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 1wh0 s THR 77 CO 0.30 -0.11 1.32 -0.89 -0.69 0.00 0.00 174.62 174.55 1wh0 s THR 78 N 2.84 2.74 -0.19 -0.82 2.01 -1.26 -4.72 115.64 116.24 1wh0 s THR 78 Ca 0.33 0.72 0.01 0.00 0.31 0.00 0.00 61.69 63.06 1wh0 s THR 78 Cb -0.15 -3.46 0.03 0.00 0.01 0.00 0.00 72.50 68.94 1wh0 s THR 78 CO 0.09 0.16 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.68 1wh0 s PHE 79 N -0.91 2.60 -0.28 4.92 0.08 -1.24 -1.87 117.98 121.28 1wh0 s PHE 79 Ca 0.51 -1.63 -0.07 0.00 0.12 0.00 0.00 56.93 55.85 1wh0 s PHE 79 Cb -0.40 -1.77 -0.00 0.00 -0.57 0.00 0.00 43.02 40.28 1wh0 s PHE 79 CO 0.51 -0.77 0.09 0.50 -0.10 0.00 0.00 175.22 175.44 1wh0 s ARG 80 N 1.34 3.28 -0.45 0.44 3.52 0.84 -2.65 118.95 125.28 1wh0 s ARG 80 Ca 0.01 -0.73 -0.08 0.00 -0.13 0.00 0.00 55.73 54.80 1wh0 s ARG 80 Cb -0.15 -3.38 0.11 0.00 -1.56 0.00 0.00 34.95 29.97 1wh0 s ARG 80 CO -0.10 -0.37 0.30 -0.46 -0.81 0.00 0.00 175.30 173.86 1wh0 s TRP 81 N 1.55 3.44 -0.24 5.12 -0.00 -0.85 0.55 118.94 128.51 1wh0 s TRP 81 Ca 0.04 -1.92 -0.13 0.00 -0.00 0.00 0.00 56.10 54.10 1wh0 s TRP 81 Cb -0.17 -3.32 -0.04 0.00 -0.00 0.00 0.00 33.47 29.94 1wh0 s TRP 81 CO 0.03 -0.96 0.26 -1.14 -0.00 0.00 0.00 176.95 175.14 1wh0 s GLN 82 N 1.33 4.08 -0.13 5.86 0.74 -1.26 -1.43 119.66 128.84 1wh0 s GLN 82 Ca 0.06 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.38 1wh0 s GLN 82 Cb -0.25 -3.57 -0.01 0.00 1.10 0.00 0.00 33.01 30.28 1wh0 s GLN 82 CO -0.01 -0.04 -0.14 0.08 -0.55 0.00 0.00 175.29 174.63 1wh0 s VAL 83 N 1.35 2.91 -0.39 1.34 1.01 -1.21 -5.03 120.40 120.37 1wh0 s VAL 83 Ca 0.12 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 1wh0 s VAL 83 Cb -0.14 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1wh0 s VAL 83 CO 0.07 0.52 0.60 -0.75 0.00 0.00 0.00 175.10 175.54 1wh0 s LYS 84 N 0.46 3.47 -0.07 2.72 2.20 -1.26 -3.17 119.74 124.08 1wh0 s LYS 84 Ca -0.10 -0.22 -0.20 0.00 -0.36 0.00 0.00 55.97 55.09 1wh0 s LYS 84 Cb -0.16 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 1wh0 s LYS 84 CO 0.05 -0.84 0.57 -0.51 -0.36 0.00 0.00 175.35 174.26 1wh0 s LEU 85 N 2.65 4.33 0.04 5.43 1.43 -1.06 0.18 118.68 131.68 1wh0 s LEU 85 Ca 0.22 1.01 -0.14 0.00 -1.03 0.00 0.00 54.13 54.18 1wh0 s LEU 85 Cb -0.15 -2.86 -0.06 0.00 0.03 0.00 0.00 46.19 43.15 1wh0 s LEU 85 CO 0.16 0.00 1.22 0.03 0.23 0.00 0.00 176.35 178.00 1wh0 h ARG 86 N 6.42 -0.34 -7.25 1.70 2.47 -1.85 -3.44 114.38 112.09 1wh0 h ARG 86 Ca -0.42 0.02 -0.47 0.00 -1.26 0.00 0.00 59.98 57.86 1wh0 h ARG 86 Cb 1.19 0.08 0.10 0.00 -1.65 0.00 0.00 29.97 29.69 1wh0 h ARG 86 CO 0.74 -0.23 0.17 -0.80 0.56 0.00 0.00 179.97 180.41 1wh0 s ASN 87 N -3.23 4.09 0.64 7.04 -0.87 -1.26 -5.09 114.94 116.26 1wh0 s ASN 87 Ca -0.07 -0.28 -0.09 0.00 -1.57 0.00 0.00 52.86 50.86 1wh0 s ASN 87 Cb 0.02 -0.02 0.01 0.00 -0.02 0.00 0.00 41.25 41.24 1wh0 s ASN 87 CO 0.24 -2.05 1.00 -0.76 -2.57 0.00 0.00 177.10 172.96 1wh0 s LEU 88 N -5.29 3.08 0.00 0.60 1.43 -1.26 -4.77 118.68 112.47 1wh0 s LEU 88 Ca 0.68 0.94 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 1wh0 s LEU 88 Cb -0.05 -3.76 -0.01 0.00 0.03 0.00 0.00 46.19 42.40 1wh0 s LEU 88 CO 0.46 -1.18 0.32 2.30 0.23 0.00 0.00 176.35 178.48 1wh0 n ILE 89 N -2.78 0.00 -3.92 -0.59 -5.35 0.16 -3.84 119.36 103.02 1wh0 n ILE 89 Ca 0.06 -1.98 -0.31 0.00 -0.27 0.00 0.00 62.75 60.25 1wh0 n ILE 89 Cb 0.57 1.06 -0.13 0.00 -1.74 0.00 0.00 39.64 39.39 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 -3.04 2.00 0.23 6.28 2.02 0.11 -4.66 118.70 121.64 1wh0 s GLU 90 Ca 0.32 -2.52 0.22 0.00 0.02 0.00 0.00 54.97 53.01 1wh0 s GLU 90 Cb 0.01 -3.37 0.94 0.00 0.10 0.00 0.00 34.13 31.81 1wh0 s GLU 90 CO 0.23 -1.10 1.68 -0.35 0.02 0.00 0.00 175.26 175.74 1wh0 n PRO 91 N 3.30 0.17 0.23 0.39 -0.04 -1.25 -2.43 135.00 135.37 1wh0 n PRO 91 Ca 0.05 0.41 0.16 0.00 -0.04 0.00 0.00 63.50 64.07 1wh0 n PRO 91 Cb 0.34 -1.83 0.62 0.00 -0.04 0.00 0.00 33.50 32.59 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 -3.06 114.58 115.23 1wh0 h GLU 92 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1wh0 h GLU 92 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1wh0 h GLU 92 CO 0.00 0.00 -1.40 1.04 -1.00 0.00 0.00 179.01 177.65 1wh0 n GLN 93 N -2.82 0.37 -0.90 2.33 6.02 -1.02 -5.04 117.38 116.32 1wh0 n GLN 93 Ca 0.01 -0.08 -0.33 0.00 -0.01 0.00 0.00 57.00 56.59 1wh0 n GLN 93 Cb 0.29 -1.20 0.11 0.00 1.02 0.00 0.00 30.24 30.46 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 -2.30 0.06 -0.08 0.00 -4.23 -0.84 -5.01 115.64 103.24 1wh0 s THR 95 Ca 0.60 -0.48 -0.01 0.00 -1.18 0.00 0.00 61.69 60.63 1wh0 s THR 95 Cb -0.25 -0.42 0.03 0.00 1.34 0.00 0.00 72.50 73.20 1wh0 s THR 95 CO 0.64 -0.27 -0.03 0.72 -0.54 0.00 0.00 174.62 175.14 1wh0 s PHE 96 N -0.99 0.94 -0.09 3.99 -0.12 -1.26 -1.57 117.98 118.88 1wh0 s PHE 96 Ca -0.11 -0.35 -0.05 0.00 -0.05 0.00 0.00 56.93 56.37 1wh0 s PHE 96 Cb -0.06 -0.92 0.04 0.00 -0.63 0.00 0.00 43.02 41.46 1wh0 s PHE 96 CO 0.02 -0.36 0.22 0.00 -0.05 0.00 0.00 175.22 175.05 1wh0 s PHE 98 N 1.04 3.06 0.13 0.00 0.40 -1.26 -0.36 117.98 120.99 1wh0 s PHE 98 Ca -0.08 1.44 0.01 0.00 -0.60 0.00 0.00 56.93 57.70 1wh0 s PHE 98 Cb -0.09 -2.91 -0.00 0.00 0.51 0.00 0.00 43.02 40.53 1wh0 s PHE 98 CO -0.07 -1.25 0.02 0.25 0.70 0.00 0.00 175.22 174.88 1wh0 n THR 99 N -2.99 0.00 0.00 0.64 -2.24 0.46 -4.74 114.28 105.41 1wh0 n THR 99 Ca 0.08 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1wh0 n THR 99 Cb 0.53 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.49 -0.06 -0.96 6.98 0.00 -1.26 -3.83 120.51 118.89 1wh0 n ALA 100 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1wh0 n ALA 100 Cb 0.18 0.28 0.12 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.83 2.24 -3.88 0.00 3.41 -1.26 -4.82 113.62 107.48 1wh0 n SER 101 Ca 0.00 -2.92 -0.10 0.00 -0.26 0.00 0.00 58.87 55.59 1wh0 n SER 101 Cb 0.00 -0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 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 -2.57 1.58 -0.01 4.33 1.70 -1.14 -2.22 118.95 120.63 1wh0 s ARG 102 Ca 0.27 -1.37 0.05 0.00 -0.47 0.00 0.00 55.73 54.21 1wh0 s ARG 102 Cb 0.24 0.45 -0.03 0.00 -0.57 0.00 0.00 34.95 35.04 1wh0 s ARG 102 CO 0.03 -0.65 -0.15 0.42 -1.08 0.00 0.00 175.30 173.87 1wh0 s ILE 103 N -3.84 3.02 -0.18 4.99 1.01 -0.55 0.18 121.20 125.83 1wh0 s ILE 103 Ca 0.25 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.97 1wh0 s ILE 103 Cb 0.00 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 1wh0 s ILE 103 CO 0.11 0.46 -0.10 -0.62 0.00 0.00 0.00 174.94 174.80 1wh0 s ASP 104 N -1.11 4.06 -0.18 3.58 2.15 0.52 -2.02 116.67 123.66 1wh0 s ASP 104 Ca 0.14 -0.39 -0.02 0.00 0.43 0.00 0.00 52.55 52.71 1wh0 s ASP 104 Cb -0.11 -1.66 0.05 0.00 -0.30 0.00 0.00 42.92 40.91 1wh0 s ASP 104 CO 0.03 0.06 0.01 -0.63 -0.17 0.00 0.00 175.17 174.48 1wh0 s ILE 105 N 0.96 0.66 -0.42 4.11 1.01 -1.03 -1.00 121.20 125.49 1wh0 s ILE 105 Ca -0.01 -0.53 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1wh0 s ILE 105 Cb -0.15 -1.06 0.02 0.00 0.01 0.00 0.00 42.46 41.28 1wh0 s ILE 105 CO -0.01 -0.10 0.50 0.00 0.00 0.00 0.00 174.94 175.34 1wh0 s LEU 107 N 2.35 4.27 -0.40 0.00 1.43 0.57 -1.98 118.68 124.92 1wh0 s LEU 107 Ca 0.16 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 1wh0 s LEU 107 Cb -0.16 -2.20 0.01 0.00 0.03 0.00 0.00 46.19 43.87 1wh0 s LEU 107 CO 0.15 -0.18 0.52 -0.60 0.23 0.00 0.00 176.35 176.47 1wh0 s ARG 108 N 1.83 3.35 0.62 1.70 6.06 -1.26 -1.44 118.95 129.81 1wh0 s ARG 108 Ca 0.08 -0.42 -0.13 0.00 -2.50 0.00 0.00 55.73 52.77 1wh0 s ARG 108 Cb -0.17 -3.90 -0.03 0.00 0.06 0.00 0.00 34.95 30.91 1wh0 s ARG 108 CO 0.11 -0.81 1.03 0.15 -2.50 0.00 0.00 175.30 173.28 1wh0 s LYS 109 N 2.42 3.45 0.03 5.12 1.02 -0.49 0.09 119.74 131.39 1wh0 s LYS 109 Ca 0.17 0.90 -0.19 0.00 0.02 0.00 0.00 55.97 56.88 1wh0 s LYS 109 Cb -0.16 -2.06 -0.19 0.00 -0.52 0.00 0.00 37.83 34.90 1wh0 s LYS 109 CO 0.15 -0.68 1.20 0.00 -0.92 0.00 0.00 175.35 175.10 1wh0 h ARG 110 N -0.09 0.46 -3.40 1.68 3.08 -1.83 -3.42 114.38 110.85 1wh0 h ARG 110 Ca -0.45 -0.39 -0.19 0.00 0.07 0.00 0.00 59.98 59.02 1wh0 h ARG 110 Cb 1.20 0.08 -0.27 0.00 0.08 0.00 0.00 29.97 31.07 1wh0 h ARG 110 CO 0.60 1.02 -0.56 -0.65 -1.07 0.00 0.00 179.97 179.31 1wh0 s GLN 111 N -3.61 0.16 -0.95 0.04 -0.21 -1.26 -5.06 119.66 108.78 1wh0 s GLN 111 Ca -0.13 0.18 -0.24 0.00 0.02 0.00 0.00 55.36 55.19 1wh0 s GLN 111 Cb 0.05 0.08 -0.20 0.00 1.00 0.00 0.00 33.01 33.93 1wh0 s GLN 111 CO 0.81 -0.02 2.09 0.45 -2.12 0.00 0.00 175.29 176.50 1wh0 n SER 112 N 2.99 1.10 -4.31 5.90 2.88 -1.26 -4.85 113.62 116.06 1wh0 n SER 112 Ca -0.13 -2.18 -0.29 0.00 -1.33 0.00 0.00 58.87 54.95 1wh0 n SER 112 Cb 0.59 -1.62 -0.15 0.00 -0.75 0.00 0.00 64.21 62.29 1wh0 n SER 112 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1wh0 s GLN 113 N 8.34 1.68 0.58 -1.46 0.74 -1.26 -5.11 119.66 123.17 1wh0 s GLN 113 Ca 0.79 -1.05 -0.21 0.00 0.05 0.00 0.00 55.36 54.94 1wh0 s GLN 113 Cb -0.08 -1.84 -0.04 0.00 1.10 0.00 0.00 33.01 32.16 1wh0 s GLN 113 CO 0.16 0.47 1.35 -0.98 -0.55 0.00 0.00 175.29 175.74 1wh0 s ARG 114 N -1.20 2.96 -0.02 1.67 1.70 -1.26 -4.94 118.95 117.86 1wh0 s ARG 114 Ca 0.10 2.20 0.02 0.00 -0.47 0.00 0.00 55.73 57.59 1wh0 s ARG 114 Cb -0.10 -2.14 -0.04 0.00 -0.57 0.00 0.00 34.95 32.11 1wh0 s ARG 114 CO 0.02 -1.32 0.03 0.91 -1.08 0.00 0.00 175.30 173.86 1wh0 n TRP 115 N -1.29 0.00 -0.81 5.89 7.02 -1.26 -4.83 117.44 122.16 1wh0 n TRP 115 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 1wh0 n TRP 115 Cb 0.46 -0.10 0.00 0.00 -2.42 0.00 0.00 31.31 29.25 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 2.65 0.15 0.00 6.99 0.00 -1.26 -4.72 105.19 109.00 1wh0 n GLY 116 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.83 2.85 0.30 -0.02 0.00 -1.26 -5.00 105.19 101.23 1wh0 n GLY 117 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.51 -4.83 0.99 7.94 -1.26 -4.21 117.00 115.13 1wh0 n LEU 118 Ca 0.00 1.38 -0.37 0.00 -1.11 0.00 0.00 56.01 55.91 1wh0 n LEU 118 Cb 0.00 -0.32 -0.06 0.00 0.53 0.00 0.00 43.42 43.57 1wh0 n LEU 118 CO 0.00 -1.24 0.24 -1.61 -1.11 0.00 0.00 177.39 173.66 1wh0 s GLU 119 N -5.76 4.07 0.50 1.96 2.02 -1.26 -4.35 118.70 115.89 1wh0 s GLU 119 Ca -0.11 0.59 -0.15 0.00 0.02 0.00 0.00 54.97 55.33 1wh0 s GLU 119 Cb 0.16 -3.09 -0.07 0.00 0.10 0.00 0.00 34.13 31.23 1wh0 s GLU 119 CO 0.57 0.57 0.94 0.00 0.02 0.00 0.00 175.26 177.36 1wh0 s ALA 120 N -1.27 3.13 1.15 5.21 0.00 0.13 -4.90 121.76 125.20 1wh0 s ALA 120 Ca 0.33 0.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.24 1wh0 s ALA 120 Cb -0.17 -3.03 0.18 0.00 0.00 0.00 0.00 23.12 20.10 1wh0 s ALA 120 CO 0.18 -0.22 0.64 -0.35 0.00 0.00 0.00 175.76 176.02 1wh0 n PRO 121 N -1.61 -2.28 -3.63 0.00 -0.04 -1.26 -4.93 135.00 121.25 1wh0 n PRO 121 Ca 0.06 -1.03 -0.09 0.00 -0.04 0.00 0.00 63.50 62.40 1wh0 n PRO 121 Cb 0.54 -0.97 -0.07 0.00 -0.04 0.00 0.00 33.50 32.97 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 -2.00 -0.31 0.55 0.00 -1.26 -5.11 121.76 110.63 1wh0 s ALA 122 Ca 0.42 1.83 -0.28 0.00 0.00 0.00 0.00 51.96 53.93 1wh0 s ALA 122 Cb -0.04 -1.41 -0.05 0.00 0.00 0.00 0.00 23.12 21.62 1wh0 s ALA 122 CO 0.32 -0.23 2.16 0.00 0.00 0.00 0.00 175.76 178.01 1wh0 s ALA 123 N 0.08 2.51 -0.24 0.00 0.00 -1.26 -4.89 121.76 117.97 1wh0 s ALA 123 Ca 0.03 0.46 -0.28 0.00 0.00 0.00 0.00 51.96 52.17 1wh0 s ALA 123 Cb -0.05 -4.13 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 1wh0 s ALA 123 CO -0.06 -3.15 1.95 0.50 0.00 0.00 0.00 175.76 175.00 1wh0 s ARG 124 N 6.63 3.40 -0.01 0.00 3.52 -1.26 -4.96 118.95 126.26 1wh0 s ARG 124 Ca 0.94 1.81 0.01 0.00 -0.13 0.00 0.00 55.73 58.36 1wh0 s ARG 124 Cb -0.27 -4.24 0.00 0.00 -1.56 0.00 0.00 34.95 28.89 1wh0 s ARG 124 CO 0.32 -1.79 -0.04 0.54 -0.81 0.00 0.00 175.30 173.53 1wh0 s VAL 125 N 6.97 0.35 0.00 7.11 0.11 -1.26 -5.00 120.40 128.68 1wh0 s VAL 125 Ca 0.87 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 1wh0 s VAL 125 Cb -0.29 -0.33 0.00 0.00 -1.53 0.00 0.00 36.38 34.23 1wh0 s VAL 125 CO 0.34 0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 1wh0 n GLY 126 N 3.24 -0.15 1.08 6.54 0.00 -1.26 -5.15 105.19 109.50 1wh0 n GLY 126 Ca -0.16 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.05 1wh0 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh0 n GLY 127 N 0.00 -3.31 3.85 -0.02 0.00 -1.26 -4.98 105.19 99.47 1wh0 n GLY 127 Ca 0.00 -1.11 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 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 -4.19 3.79 0.03 4.61 0.00 -1.26 -5.05 121.76 119.70 1wh0 s ALA 128 Ca 0.00 -1.59 -0.19 0.00 0.00 0.00 0.00 51.96 50.18 1wh0 s ALA 128 Cb 0.00 -1.22 -0.17 0.00 0.00 0.00 0.00 23.12 21.73 1wh0 s ALA 128 CO 0.00 0.06 1.26 0.66 0.00 0.00 0.00 175.76 177.74 1wh0 h SER 129 N 1.29 0.50 0.00 0.00 4.64 -2.07 -3.46 113.55 114.45 1wh0 h SER 129 Ca -0.46 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 60.27 1wh0 h SER 129 Cb 1.25 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1wh0 h SER 129 CO 0.59 1.00 0.00 0.61 -0.87 0.00 0.00 176.83 178.16 1wh0 n GLY 130 N 0.54 -1.79 3.55 -0.77 0.00 -1.26 -5.11 105.19 100.36 1wh0 n GLY 130 Ca -0.07 0.72 -0.38 0.00 0.00 0.00 0.00 46.02 46.28 1wh0 n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh0 s PRO 131 N 0.00 2.62 0.14 1.61 0.04 -1.26 -4.88 135.00 133.27 1wh0 s PRO 131 Ca 0.00 0.58 -0.28 0.00 0.04 0.00 0.00 61.00 61.34 1wh0 s PRO 131 Cb 0.00 -4.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.09 1wh0 s PRO 131 CO 0.00 -2.75 1.58 1.03 0.04 0.00 0.00 177.00 176.90 1wh0 h SER 132 N 14.88 -1.31 -3.71 6.66 0.87 -2.04 -3.41 113.55 125.48 1wh0 h SER 132 Ca -0.25 0.18 -0.43 0.00 -1.23 0.00 0.00 61.79 60.06 1wh0 h SER 132 Cb 1.16 0.55 0.17 0.00 -0.44 0.00 0.00 62.40 63.84 1wh0 h SER 132 CO 1.22 -0.41 0.17 -0.94 -0.53 0.00 0.00 176.83 176.34 1wh0 s SER 133 N -4.93 1.83 0.00 6.23 1.04 -1.26 -5.32 113.70 111.30 1wh0 s SER 133 Ca -0.15 0.90 0.00 0.00 0.48 0.00 0.00 55.95 57.18 1wh0 s SER 133 Cb 0.10 -1.37 0.00 0.00 0.10 0.00 0.00 66.02 64.85 1wh0 s SER 133 CO 0.65 -3.59 0.00 0.61 0.98 0.00 0.00 173.24 171.89