#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk1 n SER 2 N 0.00 1.95 -4.69 1.61 3.41 -1.26 -4.85 113.62 109.79 1wk1 n SER 2 Ca 0.00 0.32 -0.42 0.00 -0.26 0.00 0.00 58.87 58.51 1wk1 n SER 2 Cb 0.00 -0.88 -0.03 0.00 -0.26 0.00 0.00 64.21 63.03 1wk1 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wk1 s SER 3 N -6.99 7.15 0.00 4.04 0.15 -1.26 -4.20 113.70 112.59 1wk1 s SER 3 Ca -0.29 1.40 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1wk1 s SER 3 Cb 0.08 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 1wk1 s SER 3 CO 0.62 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 175.32 1wk1 n GLY 4 N 3.17 0.76 0.08 9.45 0.00 -1.26 -5.04 105.19 112.35 1wk1 n GLY 4 Ca 0.06 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 1wk1 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wk1 h SER 5 N 0.00 -0.03 -3.74 1.61 0.87 -1.89 -3.43 113.55 106.94 1wk1 h SER 5 Ca 0.00 -0.69 -0.67 0.00 -1.23 0.00 0.00 61.79 59.21 1wk1 h SER 5 Cb 0.50 0.01 -0.18 0.00 -0.44 0.00 0.00 62.40 62.29 1wk1 h SER 5 CO 0.00 0.72 -0.44 -0.55 -0.53 0.00 0.00 176.83 176.02 1wk1 s SER 6 N -5.90 6.08 0.00 6.23 0.15 -1.26 -4.88 113.70 114.12 1wk1 s SER 6 Ca -0.16 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1wk1 s SER 6 Cb -0.01 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1wk1 s SER 6 CO 0.61 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.44 1wk1 n GLY 7 N 5.06 -0.49 3.59 9.45 0.00 -1.26 -5.12 105.19 116.41 1wk1 n GLY 7 Ca -0.12 0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 1wk1 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wk1 s VAL 8 N 0.26 4.87 0.37 1.61 1.01 -1.26 -5.10 120.40 122.16 1wk1 s VAL 8 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 1wk1 s VAL 8 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 1wk1 s VAL 8 CO 0.00 0.38 0.65 -0.54 0.00 0.00 0.00 175.10 175.58 1wk1 s LYS 9 N 1.02 3.60 0.38 2.72 1.02 -1.26 -5.07 119.74 122.16 1wk1 s LYS 9 Ca 0.05 0.06 0.05 0.00 0.02 0.00 0.00 55.97 56.15 1wk1 s LYS 9 Cb -0.14 -2.54 -0.00 0.00 -0.52 0.00 0.00 37.83 34.63 1wk1 s LYS 9 CO 0.04 0.05 0.55 -0.06 -0.92 0.00 0.00 175.35 175.01 1wk1 s PHE 10 N -2.35 3.10 -1.59 3.18 0.08 -1.26 -4.40 117.98 114.75 1wk1 s PHE 10 Ca 0.45 -0.10 -0.13 0.00 0.12 0.00 0.00 56.93 57.27 1wk1 s PHE 10 Cb -0.10 -2.15 0.13 0.00 -0.57 0.00 0.00 43.02 40.32 1wk1 s PHE 10 CO 0.35 -0.18 0.32 1.28 -0.10 0.00 0.00 175.22 176.89 1wk1 n LEU 11 N -1.81 -0.80 -3.71 -0.37 4.77 -0.80 -4.89 117.00 109.38 1wk1 n LEU 11 Ca 0.01 -1.14 -0.12 0.00 -0.03 0.00 0.00 56.01 54.73 1wk1 n LEU 11 Cb 0.58 -1.44 -0.13 0.00 -2.33 0.00 0.00 43.42 40.10 1wk1 n LEU 11 CO 0.43 0.23 -0.10 0.42 -1.33 0.00 0.00 177.39 177.03 1wk1 s THR 12 N -3.53 -0.10 -0.43 -5.08 -4.23 -1.26 -5.07 115.64 95.93 1wk1 s THR 12 Ca 0.45 0.16 -0.28 0.00 -1.18 0.00 0.00 61.69 60.85 1wk1 s THR 12 Cb -0.26 -0.42 -0.02 0.00 1.34 0.00 0.00 72.50 73.14 1wk1 s THR 12 CO 0.92 0.07 1.83 -0.69 -0.54 0.00 0.00 174.62 176.21 1wk1 s VAL 13 N 1.47 3.43 -0.27 2.29 1.01 -1.26 -4.55 120.40 122.52 1wk1 s VAL 13 Ca -0.08 0.39 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 1wk1 s VAL 13 Cb -0.10 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1wk1 s VAL 13 CO -0.09 -0.57 0.78 0.20 0.00 0.00 0.00 175.10 175.42 1wk1 s ASN 14 N 6.92 6.72 0.28 3.32 0.01 -1.07 -4.94 114.94 126.17 1wk1 s ASN 14 Ca 0.76 0.82 -0.06 0.00 -0.71 0.00 0.00 52.86 53.67 1wk1 s ASN 14 Cb -0.19 -2.41 0.52 0.00 0.41 0.00 0.00 41.25 39.58 1wk1 s ASN 14 CO 0.29 -0.53 1.57 -0.78 -1.51 0.00 0.00 177.10 176.14 1wk1 h ASP 15 N 7.90 -0.74 0.00 -1.22 1.82 -1.92 -3.36 116.42 118.90 1wk1 h ASP 15 Ca -0.24 0.28 -0.32 0.00 -0.39 0.00 0.00 57.03 56.35 1wk1 h ASP 15 Cb 1.10 0.55 -0.06 0.00 0.68 0.00 0.00 39.33 41.60 1wk1 h ASP 15 CO 0.86 -0.32 1.19 0.47 -1.61 0.00 0.00 179.24 179.83 1wk1 n ASP 16 N -5.56 0.08 -4.73 2.28 9.92 -1.26 -4.50 116.55 112.78 1wk1 n ASP 16 Ca 0.17 0.07 -0.40 0.00 -0.53 0.00 0.00 54.79 54.10 1wk1 n ASP 16 Cb 0.55 -0.59 -0.05 0.00 -0.64 0.00 0.00 41.12 40.40 1wk1 n ASP 16 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1wk1 s ILE 17 N 5.40 4.78 -0.13 0.53 -4.36 -1.26 -4.46 121.20 121.69 1wk1 s ILE 17 Ca 0.90 1.70 -0.19 0.00 -0.26 0.00 0.00 60.65 62.80 1wk1 s ILE 17 Cb -0.81 -4.15 0.05 0.00 1.25 0.00 0.00 42.46 38.80 1wk1 s ILE 17 CO 0.33 0.32 0.49 -0.76 0.24 0.00 0.00 174.94 175.55 1wk1 s LEU 18 N 0.22 0.14 0.90 0.37 1.43 -0.58 -4.70 118.68 116.46 1wk1 s LEU 18 Ca 0.41 0.77 -0.13 0.00 -1.03 0.00 0.00 54.13 54.16 1wk1 s LEU 18 Cb -0.20 1.75 0.06 0.00 0.03 0.00 0.00 46.19 47.82 1wk1 s LEU 18 CO 0.23 -0.30 0.68 -1.54 0.23 0.00 0.00 176.35 175.66 1wk1 n SER 19 N 2.21 -1.07 -0.15 2.29 3.41 -1.26 -3.39 113.62 115.66 1wk1 n SER 19 Ca -0.16 0.42 -0.04 0.00 -0.26 0.00 0.00 58.87 58.82 1wk1 n SER 19 Cb 0.56 -1.30 0.02 0.00 -0.26 0.00 0.00 64.21 63.23 1wk1 n SER 19 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1wk1 h MET 20 N -1.39 -0.11 0.00 4.33 4.05 -1.78 0.68 114.93 120.71 1wk1 h MET 20 Ca -0.44 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 1wk1 h MET 20 Cb 1.29 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.12 1wk1 h MET 20 CO 0.38 -0.08 0.00 -0.35 0.23 0.00 0.00 176.91 177.10 1wk1 n PRO 21 N -5.41 0.37 -0.06 0.39 -0.04 -1.26 -2.58 135.00 126.41 1wk1 n PRO 21 Ca 0.04 0.06 -0.07 0.00 -0.04 0.00 0.00 63.50 63.49 1wk1 n PRO 21 Cb 0.31 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.19 1wk1 n PRO 21 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wk1 n GLN 22 N -1.12 1.77 0.05 0.54 1.13 0.18 -4.40 117.38 115.54 1wk1 n GLN 22 Ca 0.10 0.01 -0.03 0.00 -1.94 0.00 0.00 57.00 55.14 1wk1 n GLN 22 Cb 0.08 -1.29 -0.01 0.00 0.11 0.00 0.00 30.24 29.13 1wk1 n GLN 22 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wk1 h ALA 23 N 0.45 -0.33 -1.20 -1.58 0.00 0.31 -2.52 119.26 114.39 1wk1 h ALA 23 Ca -0.31 -0.04 0.35 0.00 0.00 0.00 0.00 54.91 54.91 1wk1 h ALA 23 Cb 1.66 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 19.43 1wk1 h ALA 23 CO 0.00 -0.32 0.80 0.07 0.00 0.00 0.00 179.25 179.80 1wk1 h ARG 24 N -0.51 0.19 -0.07 0.00 0.11 -1.75 0.99 114.38 113.35 1wk1 h ARG 24 Ca -0.02 -0.01 -0.16 0.00 0.10 0.00 0.00 59.98 59.89 1wk1 h ARG 24 Cb 0.14 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 1wk1 h ARG 24 CO 0.03 0.13 -0.65 -0.97 0.10 0.00 0.00 179.97 178.61 1wk1 h ASN 25 N 0.20 0.34 0.42 0.08 -1.24 -1.77 -3.20 115.58 110.42 1wk1 h ASN 25 Ca 0.68 -0.21 -0.02 0.00 0.71 0.00 0.00 56.30 57.46 1wk1 h ASN 25 Cb 2.11 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 41.06 1wk1 h ASN 25 CO -0.27 0.90 -0.20 0.15 -1.29 0.00 0.00 177.43 176.72 1wk1 h PHE 26 N 0.21 -0.53 -1.14 0.67 3.04 0.15 -3.14 116.94 116.19 1wk1 h PHE 26 Ca -0.01 -0.01 0.44 0.00 3.98 0.00 0.00 57.97 62.36 1wk1 h PHE 26 Cb 1.18 0.17 -0.16 0.00 2.56 0.00 0.00 35.95 39.71 1wk1 h PHE 26 CO 0.03 -0.33 0.68 0.00 -2.02 0.00 0.00 178.31 176.67 1wk1 h ALA 28 N 1.80 0.15 -0.68 0.00 0.00 -1.25 0.64 119.26 119.92 1wk1 h ALA 28 Ca 0.85 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.74 1wk1 h ALA 28 Cb 2.46 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 20.17 1wk1 h ALA 28 CO -0.63 -0.33 0.45 1.03 0.00 0.00 0.00 179.25 179.76 1wk1 h SER 29 N 0.12 0.77 -0.59 0.00 0.87 0.72 -2.60 113.55 112.85 1wk1 h SER 29 Ca 0.04 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 1wk1 h SER 29 Cb 0.04 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 1wk1 h SER 29 CO -0.01 0.56 0.20 0.00 -0.53 0.00 0.00 176.83 177.05 1wk1 h ALA 30 N 1.26 0.77 0.00 6.23 0.00 -1.15 -3.46 119.26 122.90 1wk1 h ALA 30 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wk1 h ALA 30 Cb -0.09 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1wk1 h ALA 30 CO -0.06 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1wk1 n GLY 31 N -0.74 0.35 0.00 0.00 0.00 -0.12 -5.01 105.19 99.66 1wk1 n GLY 31 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1wk1 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wk1 n GLY 32 N 0.00 2.16 3.55 -0.02 0.00 0.20 -4.83 105.19 106.25 1wk1 n GLY 32 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 1wk1 n GLY 32 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wk1 s TYR 33 N -2.88 -0.33 0.11 1.61 -0.85 -0.86 -1.47 117.35 112.68 1wk1 s TYR 33 Ca 0.00 0.02 -0.35 0.00 -0.52 0.00 0.00 57.07 56.23 1wk1 s TYR 33 Cb 0.00 0.54 -0.17 0.00 0.38 0.00 0.00 41.96 42.71 1wk1 s TYR 33 CO 0.00 -0.96 1.07 1.28 -1.52 0.00 0.00 175.55 175.43 1wk1 n LEU 34 N -0.38 0.73 -4.61 -3.49 4.77 -1.26 0.91 117.00 113.67 1wk1 n LEU 34 Ca -0.12 1.14 -0.43 0.00 -0.03 0.00 0.00 56.01 56.57 1wk1 n LEU 34 Cb 0.63 -1.09 -0.03 0.00 -2.33 0.00 0.00 43.42 40.60 1wk1 n LEU 34 CO 0.14 -1.67 0.87 0.00 -1.33 0.00 0.00 177.39 175.40 1wk1 s ALA 35 N -0.15 3.35 0.96 -1.18 0.00 0.25 -4.50 121.76 120.49 1wk1 s ALA 35 Ca 0.79 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 1wk1 s ALA 35 Cb -1.00 -3.67 0.17 0.00 0.00 0.00 0.00 23.12 18.63 1wk1 s ALA 35 CO 0.53 -1.78 1.09 0.16 0.00 0.00 0.00 175.76 175.76 1wk1 s ASP 36 N 2.01 2.77 -0.48 0.00 1.47 -1.26 -3.35 116.67 117.83 1wk1 s ASP 36 Ca 0.42 1.61 0.06 0.00 1.18 0.00 0.00 52.55 55.82 1wk1 s ASP 36 Cb -0.11 -2.26 0.21 0.00 -0.34 0.00 0.00 42.92 40.42 1wk1 s ASP 36 CO 0.22 -3.10 0.49 0.47 0.68 0.00 0.00 175.17 173.93 1wk1 n ASP 37 N -4.19 0.86 -3.90 2.11 9.92 -1.26 -4.85 116.55 115.24 1wk1 n ASP 37 Ca 0.07 -2.76 -0.30 0.00 -0.53 0.00 0.00 54.79 51.27 1wk1 n ASP 37 Cb 0.54 -0.63 -0.14 0.00 -0.64 0.00 0.00 41.12 40.25 1wk1 n ASP 37 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1wk1 s LEU 38 N -0.97 3.87 0.00 0.64 2.34 -1.26 -4.76 118.68 118.54 1wk1 s LEU 38 Ca 0.34 -2.50 0.00 0.00 0.06 0.00 0.00 54.13 52.02 1wk1 s LEU 38 Cb 0.09 -1.42 0.00 0.00 -0.56 0.00 0.00 46.19 44.30 1wk1 s LEU 38 CO -0.14 -0.31 0.00 0.61 -1.06 0.00 0.00 176.35 175.46 1wk1 n GLY 39 N 3.76 3.00 0.29 -3.48 0.00 -1.26 -4.80 105.19 102.69 1wk1 n GLY 39 Ca 0.05 -0.11 0.27 0.00 0.00 0.00 0.00 46.02 46.23 1wk1 n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wk1 n ASP 40 N 0.00 0.22 0.04 1.61 8.00 -1.26 0.10 116.55 125.26 1wk1 n ASP 40 Ca 0.00 1.17 -0.11 0.00 0.71 0.00 0.00 54.79 56.56 1wk1 n ASP 40 Cb 0.00 -0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 40.45 1wk1 n ASP 40 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1wk1 h ASP 41 N 0.00 -0.15 -0.14 -2.24 2.03 -1.98 -1.22 116.42 112.72 1wk1 h ASP 41 Ca 0.65 -0.40 0.05 0.00 -0.73 0.00 0.00 57.03 56.60 1wk1 h ASP 41 Cb 1.89 0.04 -0.06 0.00 -0.83 0.00 0.00 39.33 40.37 1wk1 h ASP 41 CO -0.48 0.43 -0.28 0.50 -1.03 0.00 0.00 179.24 178.38 1wk1 h LYS 42 N -0.84 -0.33 -0.22 4.15 1.63 0.34 0.10 116.57 121.40 1wk1 h LYS 42 Ca -0.02 0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1wk1 h LYS 42 Cb 0.54 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.24 1wk1 h LYS 42 CO 0.03 -0.22 0.12 -0.97 -3.45 0.00 0.00 179.45 174.96 1wk1 h ASN 43 N -0.34 0.28 -0.74 4.20 -1.24 -1.08 -2.27 115.58 114.39 1wk1 h ASN 43 Ca 0.10 -0.09 0.12 0.00 0.71 0.00 0.00 56.30 57.14 1wk1 h ASN 43 Cb 0.50 -0.07 -0.08 0.00 0.73 0.00 0.00 38.32 39.40 1wk1 h ASN 43 CO -0.33 0.29 0.34 0.78 -1.29 0.00 0.00 177.43 177.22 1wk1 h ASN 44 N 0.25 0.41 -0.65 1.15 2.35 -0.71 0.18 115.58 118.55 1wk1 h ASN 44 Ca 0.08 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1wk1 h ASN 44 Cb 0.07 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 1wk1 h ASN 44 CO -0.01 0.20 0.32 0.15 -1.65 0.00 0.00 177.43 176.44 1wk1 h PHE 45 N 0.55 0.94 0.05 1.19 3.57 -0.54 -3.07 116.94 119.63 1wk1 h PHE 45 Ca 0.38 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 1wk1 h PHE 45 Cb 0.49 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1wk1 h PHE 45 CO -0.13 0.70 -0.02 1.88 -2.23 0.00 0.00 178.31 178.52 1wk1 h TYR 46 N 0.90 -0.06 -1.23 0.41 0.05 -0.63 -2.82 116.97 113.59 1wk1 h TYR 46 Ca 0.22 -0.00 0.36 0.00 0.05 0.00 0.00 58.73 59.36 1wk1 h TYR 46 Cb 0.12 0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 1wk1 h TYR 46 CO 0.00 0.26 1.02 1.03 -1.05 0.00 0.00 178.16 179.43 1wk1 h SER 47 N -0.38 0.00 0.34 3.88 0.87 -0.61 0.60 113.55 118.24 1wk1 h SER 47 Ca -0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1wk1 h SER 47 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1wk1 h SER 47 CO 0.01 0.00 -0.16 -1.28 -0.53 0.00 0.00 176.83 174.87 1wk1 h SER 48 N 0.00 -0.39 0.65 6.23 0.87 -1.41 -3.26 113.55 116.24 1wk1 h SER 48 Ca 0.58 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 1wk1 h SER 48 Cb 2.63 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 64.69 1wk1 h SER 48 CO -0.01 0.06 0.00 0.16 -0.53 0.00 0.00 176.83 176.51 1wk1 h ILE 49 N -1.12 0.00 -0.13 2.23 3.07 -0.99 -2.51 117.51 118.07 1wk1 h ILE 49 Ca -0.05 -0.30 -0.03 0.00 1.55 0.00 0.00 64.86 66.03 1wk1 h ILE 49 Cb 0.36 1.20 -0.02 0.00 -0.27 0.00 0.00 36.82 38.09 1wk1 h ILE 49 CO 0.08 0.00 0.04 0.00 -1.05 0.00 0.00 178.15 177.22 1wk1 n ALA 50 N -2.00 2.85 -1.53 0.16 0.00 0.19 -4.83 120.51 115.36 1wk1 n ALA 50 Ca -0.00 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.83 1wk1 n ALA 50 Cb 0.22 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 1wk1 n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wk1 n ALA 51 N 0.14 0.70 -2.93 0.00 0.00 -0.95 -0.37 120.51 117.10 1wk1 n ALA 51 Ca 0.07 -1.01 -0.18 0.00 0.00 0.00 0.00 53.44 52.32 1wk1 n ALA 51 Cb 0.52 -2.82 0.03 0.00 0.00 0.00 0.00 19.45 17.18 1wk1 n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wk1 n ASN 52 N 12.34 -5.21 -4.04 0.00 3.02 -1.26 -4.94 115.26 115.17 1wk1 n ASN 52 Ca 0.56 -0.26 -0.27 0.00 -0.03 0.00 0.00 54.58 54.59 1wk1 n ASN 52 Cb 0.28 -4.02 -0.17 0.00 -0.61 0.00 0.00 39.78 35.27 1wk1 n ASN 52 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wk1 s THR 53 N -3.07 1.34 -0.33 3.41 2.01 0.50 -4.69 115.64 114.81 1wk1 s THR 53 Ca 0.27 -0.57 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 1wk1 s THR 53 Cb -0.12 -1.23 0.03 0.00 0.01 0.00 0.00 72.50 71.19 1wk1 s THR 53 CO 0.34 0.41 0.11 -1.10 -0.69 0.00 0.00 174.62 173.68 1wk1 s GLN 54 N 0.85 2.83 0.16 4.92 -0.21 -1.26 -2.30 119.66 124.65 1wk1 s GLN 54 Ca -0.10 -1.04 0.05 0.00 0.02 0.00 0.00 55.36 54.29 1wk1 s GLN 54 Cb -0.15 -3.46 -0.04 0.00 1.00 0.00 0.00 33.01 30.36 1wk1 s GLN 54 CO 0.01 -0.58 -0.10 -0.59 -2.12 0.00 0.00 175.29 171.92 1wk1 s PHE 55 N 1.46 1.31 0.76 0.91 -0.71 -1.17 -3.96 117.98 116.59 1wk1 s PHE 55 Ca 0.00 -0.76 -0.11 0.00 -1.04 0.00 0.00 56.93 55.02 1wk1 s PHE 55 Cb -0.19 -0.67 0.05 0.00 -1.21 0.00 0.00 43.02 41.00 1wk1 s PHE 55 CO 0.03 0.09 1.08 -1.58 -1.34 0.00 0.00 175.22 173.50 1wk1 s TRP 56 N -3.31 2.84 0.26 3.49 0.52 0.84 -0.67 118.94 122.90 1wk1 s TRP 56 Ca 0.18 1.36 0.04 0.00 0.02 0.00 0.00 56.10 57.70 1wk1 s TRP 56 Cb 0.03 -3.01 -0.02 0.00 -1.15 0.00 0.00 33.47 29.32 1wk1 s TRP 56 CO 0.02 -1.63 0.15 0.44 0.02 0.00 0.00 176.95 175.95 1wk1 n ILE 57 N -3.38 0.00 0.30 2.03 -5.35 -1.23 -4.31 119.36 107.42 1wk1 n ILE 57 Ca 0.08 -1.73 0.16 0.00 -0.27 0.00 0.00 62.75 60.99 1wk1 n ILE 57 Cb 0.54 0.75 0.58 0.00 -1.74 0.00 0.00 39.64 39.77 1wk1 n ILE 57 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1wk1 h GLY 58 N 1.32 0.00 -4.88 3.28 0.00 -1.78 -3.44 103.07 97.57 1wk1 h GLY 58 Ca -0.20 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.58 1wk1 h GLY 58 CO 0.30 0.00 0.77 -2.27 0.00 0.00 0.00 176.54 175.34 1wk1 s LEU 59 N -5.84 4.27 -0.18 3.11 2.96 -1.25 0.21 118.68 121.95 1wk1 s LEU 59 Ca 0.03 1.85 -0.15 0.00 -0.22 0.00 0.00 54.13 55.64 1wk1 s LEU 59 Cb 0.09 -3.55 0.05 0.00 0.50 0.00 0.00 46.19 43.27 1wk1 s LEU 59 CO 0.54 -0.65 0.46 0.72 -1.32 0.00 0.00 176.35 176.10 1wk1 s PHE 60 N 2.53 -0.54 0.28 5.38 -0.12 -0.62 -3.21 117.98 121.68 1wk1 s PHE 60 Ca 0.57 1.28 -0.29 0.00 -0.05 0.00 0.00 56.93 58.45 1wk1 s PHE 60 Cb -0.25 0.21 -0.09 0.00 -0.63 0.00 0.00 43.02 42.25 1wk1 s PHE 60 CO 0.21 -0.27 1.00 0.21 -0.05 0.00 0.00 175.22 176.32 1wk1 s LYS 61 N 0.49 4.68 0.52 1.99 2.20 -0.64 -0.74 119.74 128.23 1wk1 s LYS 61 Ca -0.02 1.56 0.06 0.00 -0.36 0.00 0.00 55.97 57.22 1wk1 s LYS 61 Cb -0.04 -3.10 0.09 0.00 -1.51 0.00 0.00 37.83 33.27 1wk1 s LYS 61 CO -0.02 0.32 0.71 -1.71 -0.36 0.00 0.00 175.35 174.29 1wk1 n ASN 62 N 1.10 1.63 0.11 1.43 2.85 0.33 -4.77 115.26 117.93 1wk1 n ASN 62 Ca -0.00 -2.22 -0.12 0.00 -0.11 0.00 0.00 54.58 52.13 1wk1 n ASN 62 Cb 0.47 -0.40 -0.06 0.00 1.24 0.00 0.00 39.78 41.04 1wk1 n ASN 62 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1wk1 h SER 63 N -0.05 -0.62 -0.70 1.20 0.02 -1.97 -2.47 113.55 108.96 1wk1 h SER 63 Ca -0.24 0.07 0.15 0.00 -0.84 0.00 0.00 61.79 60.94 1wk1 h SER 63 Cb 1.04 0.23 -0.11 0.00 0.14 0.00 0.00 62.40 63.71 1wk1 h SER 63 CO 0.32 -0.30 0.09 -0.78 -1.14 0.00 0.00 176.83 175.02 1wk1 h ASP 64 N -0.41 -0.14 0.00 3.07 3.58 -2.04 -3.45 116.42 117.04 1wk1 h ASP 64 Ca 0.03 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1wk1 h ASP 64 Cb 0.43 0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.73 1wk1 h ASP 64 CO -0.13 -0.09 0.00 0.61 -2.88 0.00 0.00 179.24 176.76 1wk1 n GLY 65 N -1.37 0.78 3.86 -0.78 0.00 -0.93 -5.14 105.19 101.61 1wk1 n GLY 65 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 1wk1 n GLY 65 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wk1 s GLN 66 N 0.00 3.13 -0.16 1.61 -0.21 -1.26 -4.81 119.66 117.96 1wk1 s GLN 66 Ca 0.00 -0.75 -0.18 0.00 0.02 0.00 0.00 55.36 54.44 1wk1 s GLN 66 Cb 0.00 -2.78 -0.04 0.00 1.00 0.00 0.00 33.01 31.19 1wk1 s GLN 66 CO 0.00 0.50 0.50 -0.06 -2.12 0.00 0.00 175.29 174.11 1wk1 s PHE 67 N -1.74 3.44 0.44 0.91 0.08 -1.26 -0.51 117.98 119.34 1wk1 s PHE 67 Ca 0.32 0.83 0.05 0.00 0.12 0.00 0.00 56.93 58.26 1wk1 s PHE 67 Cb -0.10 -2.61 -0.05 0.00 -0.57 0.00 0.00 43.02 39.68 1wk1 s PHE 67 CO 0.26 0.03 0.06 0.71 -0.10 0.00 0.00 175.22 176.18 1wk1 s TYR 68 N 1.14 2.31 -0.11 0.36 1.51 0.08 -0.75 117.35 121.88 1wk1 s TYR 68 Ca 0.25 -0.74 -0.01 0.00 -1.01 0.00 0.00 57.07 55.56 1wk1 s TYR 68 Cb -0.15 -1.78 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1wk1 s TYR 68 CO 0.10 0.29 -0.08 -1.58 -1.11 0.00 0.00 175.55 173.17 1wk1 s TRP 69 N -2.74 2.91 -0.16 2.71 0.52 0.70 -1.59 118.94 121.30 1wk1 s TRP 69 Ca 0.28 -0.26 -0.29 0.00 0.02 0.00 0.00 56.10 55.84 1wk1 s TRP 69 Cb 0.06 -1.82 -0.01 0.00 -1.15 0.00 0.00 33.47 30.55 1wk1 s TRP 69 CO 0.15 0.06 1.13 0.34 0.02 0.00 0.00 176.95 178.66 1wk1 s ASP 70 N -0.13 7.07 -0.13 2.95 2.15 0.13 -2.52 116.67 126.18 1wk1 s ASP 70 Ca 0.01 1.58 0.17 0.00 0.43 0.00 0.00 52.55 54.74 1wk1 s ASP 70 Cb -0.13 -2.55 0.42 0.00 -0.30 0.00 0.00 42.92 40.37 1wk1 s ASP 70 CO 0.03 -0.65 1.20 0.54 -0.17 0.00 0.00 175.17 176.12 1wk1 n ARG 71 N 6.01 0.98 0.00 4.34 5.12 -1.26 -4.68 116.66 127.17 1wk1 n ARG 71 Ca 0.12 -2.80 0.00 0.00 -1.93 0.00 0.00 57.85 53.23 1wk1 n ARG 71 Cb 0.46 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.77 1wk1 n ARG 71 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wk1 n GLY 72 N -0.49 0.49 0.05 -0.13 0.00 -1.26 -4.57 105.19 99.28 1wk1 n GLY 72 Ca 0.14 -2.18 -0.02 0.00 0.00 0.00 0.00 46.02 43.95 1wk1 n GLY 72 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1wk1 h GLN 73 N 7.52 0.00 -0.60 1.61 5.75 -1.90 -3.39 115.11 124.10 1wk1 h GLN 73 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1wk1 h GLN 73 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1wk1 h GLN 73 CO 0.00 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 176.59 1wk1 n GLY 74 N 1.70 1.92 3.82 2.39 0.00 -1.26 -4.93 105.19 108.84 1wk1 n GLY 74 Ca -0.04 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 1wk1 n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wk1 s ILE 75 N -1.56 4.66 0.03 -0.61 -1.09 -1.26 -5.02 121.20 116.35 1wk1 s ILE 75 Ca 0.39 1.18 -0.30 0.00 -2.23 0.00 0.00 60.65 59.69 1wk1 s ILE 75 Cb 0.23 -3.85 -0.07 0.00 -1.58 0.00 0.00 42.46 37.19 1wk1 s ILE 75 CO 0.22 0.29 1.66 0.20 -1.23 0.00 0.00 174.94 176.08 1wk1 s ASN 76 N -1.55 6.62 0.12 3.58 -0.87 -1.26 -4.72 114.94 116.85 1wk1 s ASN 76 Ca 0.39 2.41 -0.31 0.00 -1.57 0.00 0.00 52.86 53.78 1wk1 s ASN 76 Cb -0.17 -2.55 -0.08 0.00 -0.02 0.00 0.00 41.25 38.43 1wk1 s ASN 76 CO 0.21 -0.90 1.36 -2.16 -2.57 0.00 0.00 177.10 173.03 1wk1 s PRO 77 N 3.14 4.34 -0.50 -0.60 0.04 -1.26 -4.74 135.00 135.42 1wk1 s PRO 77 Ca 0.74 2.04 -0.24 0.00 0.04 0.00 0.00 61.00 63.58 1wk1 s PRO 77 Cb -0.38 -3.25 0.03 0.00 0.04 0.00 0.00 34.50 30.95 1wk1 s PRO 77 CO 0.32 -0.39 0.90 -0.51 0.04 0.00 0.00 177.00 177.35 1wk1 s ASP 78 N 1.00 6.40 0.82 6.66 1.11 -1.05 -4.75 116.67 126.86 1wk1 s ASP 78 Ca 0.63 -0.18 -0.14 0.00 0.18 0.00 0.00 52.55 53.03 1wk1 s ASP 78 Cb -0.36 -2.43 0.02 0.00 1.07 0.00 0.00 42.92 41.22 1wk1 s ASP 78 CO 0.31 -1.11 0.68 -0.11 1.18 0.00 0.00 175.17 176.12 1wk1 n LEU 79 N 7.19 1.51 -4.56 1.23 7.94 -1.26 -0.21 117.00 128.84 1wk1 n LEU 79 Ca 0.03 0.51 -0.36 0.00 -1.11 0.00 0.00 56.01 55.07 1wk1 n LEU 79 Cb 0.48 -1.30 -0.04 0.00 0.53 0.00 0.00 43.42 43.10 1wk1 n LEU 79 CO 0.63 -2.88 1.41 -0.22 -1.11 0.00 0.00 177.39 175.21 1wk1 s LEU 80 N -2.01 3.27 -0.32 -1.96 2.96 0.07 -4.74 118.68 115.96 1wk1 s LEU 80 Ca 0.65 -0.53 0.08 0.00 -0.22 0.00 0.00 54.13 54.10 1wk1 s LEU 80 Cb -0.29 -2.55 0.49 0.00 0.50 0.00 0.00 46.19 44.33 1wk1 s LEU 80 CO 0.59 -2.16 1.44 -0.46 -1.32 0.00 0.00 176.35 174.44 1wk1 n ASN 81 N 11.45 3.20 -4.72 3.68 6.94 -1.26 -4.99 115.26 129.55 1wk1 n ASN 81 Ca 0.25 -3.80 -0.35 0.00 -0.02 0.00 0.00 54.58 50.65 1wk1 n ASN 81 Cb 0.50 -0.60 -0.09 0.00 -2.36 0.00 0.00 39.78 37.23 1wk1 n ASN 81 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wk1 s GLN 82 N -3.36 3.35 0.32 -3.83 -2.07 -1.26 -5.01 119.66 107.80 1wk1 s GLN 82 Ca 0.47 -0.33 0.11 0.00 -1.82 0.00 0.00 55.36 53.79 1wk1 s GLN 82 Cb 0.41 -2.99 0.53 0.00 -1.09 0.00 0.00 33.01 29.87 1wk1 s GLN 82 CO -0.00 0.61 1.72 -1.00 -1.32 0.00 0.00 175.29 175.29 1wk1 h PRO 83 N 5.51 0.04 -5.92 9.60 0.13 -2.04 -3.43 132.00 135.89 1wk1 h PRO 83 Ca -0.48 -0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.02 1wk1 h PRO 83 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1wk1 h PRO 83 CO 0.59 0.51 -0.21 0.42 -0.23 0.00 0.00 178.00 179.08 1wk1 s ILE 84 N -3.95 5.09 0.08 -3.56 1.01 -1.26 -5.09 121.20 113.52 1wk1 s ILE 84 Ca -0.02 0.81 -0.01 0.00 0.00 0.00 0.00 60.65 61.42 1wk1 s ILE 84 Cb 0.13 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1wk1 s ILE 84 CO 0.75 0.53 -0.01 0.42 0.00 0.00 0.00 174.94 176.63 1wk1 s THR 85 N -0.72 0.21 -0.49 2.92 -4.23 -1.26 -4.98 115.64 107.09 1wk1 s THR 85 Ca 0.23 -1.85 0.06 0.00 -1.18 0.00 0.00 61.69 58.95 1wk1 s THR 85 Cb -0.16 -1.69 0.17 0.00 1.34 0.00 0.00 72.50 72.16 1wk1 s THR 85 CO 0.12 -0.83 1.14 -1.22 -0.54 0.00 0.00 174.62 173.29 1wk1 n TYR 86 N 0.04 0.26 -1.50 3.99 4.01 -1.26 -5.01 117.16 117.68 1wk1 n TYR 86 Ca -0.11 -0.51 -0.57 0.00 -0.16 0.00 0.00 57.90 56.54 1wk1 n TYR 86 Cb 0.62 -0.04 -0.07 0.00 -0.31 0.00 0.00 39.34 39.53 1wk1 n TYR 86 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1wk1 n TRP 87 N 0.02 0.65 -0.77 -0.72 5.03 -1.26 -2.81 117.44 117.59 1wk1 n TRP 87 Ca 0.07 0.99 -0.16 0.00 3.03 0.00 0.00 57.50 61.43 1wk1 n TRP 87 Cb 0.36 -2.11 0.14 0.00 -1.03 0.00 0.00 31.31 28.67 1wk1 n TRP 87 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1wk1 n ALA 88 N 1.47 -1.91 -1.68 6.99 0.00 0.05 -4.61 120.51 120.83 1wk1 n ALA 88 Ca 0.19 -0.88 -0.47 0.00 0.00 0.00 0.00 53.44 52.28 1wk1 n ALA 88 Cb 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 1wk1 n ALA 88 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wk1 n ASN 89 N -4.04 3.63 0.00 0.00 2.85 -1.26 -0.60 115.26 115.84 1wk1 n ASN 89 Ca 0.08 0.95 0.00 0.00 -0.11 0.00 0.00 54.58 55.51 1wk1 n ASN 89 Cb 0.32 -1.41 0.00 0.00 1.24 0.00 0.00 39.78 39.93 1wk1 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wk1 n GLY 90 N 4.45 3.00 3.78 8.20 0.00 -1.26 -4.99 105.19 118.37 1wk1 n GLY 90 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1wk1 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wk1 s GLU 91 N -0.01 2.98 0.47 1.61 0.41 0.23 -4.24 118.70 120.14 1wk1 s GLU 91 Ca 0.00 1.39 -0.22 0.00 -0.41 0.00 0.00 54.97 55.72 1wk1 s GLU 91 Cb 0.00 -1.97 -0.07 0.00 -1.78 0.00 0.00 34.13 30.30 1wk1 s GLU 91 CO 0.00 -1.10 1.16 -1.25 -0.49 0.00 0.00 175.26 173.57 1wk1 s PRO 92 N -3.97 3.71 0.03 0.39 0.04 -1.26 -4.55 135.00 129.39 1wk1 s PRO 92 Ca 0.67 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 1wk1 s PRO 92 Cb -0.20 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 31.94 1wk1 s PRO 92 CO 0.38 -0.58 1.02 -1.12 0.04 0.00 0.00 177.00 176.74 1wk1 s SER 93 N -1.41 7.33 -0.18 6.66 0.01 -1.26 -4.93 113.70 119.91 1wk1 s SER 93 Ca 0.65 1.76 -0.02 0.00 1.31 0.00 0.00 55.95 59.65 1wk1 s SER 93 Cb -0.28 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.42 1wk1 s SER 93 CO 0.34 -0.28 2.38 -3.20 0.41 0.00 0.00 173.24 172.89 1wk1 n ASN 94 N 3.72 5.91 -4.83 2.44 2.85 -1.26 -4.89 115.26 119.19 1wk1 n ASN 94 Ca 0.06 -2.78 -0.37 0.00 -0.11 0.00 0.00 54.58 51.38 1wk1 n ASN 94 Cb 0.50 -1.17 -0.06 0.00 1.24 0.00 0.00 39.78 40.29 1wk1 n ASN 94 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1wk1 s ASP 95 N 1.10 6.49 0.15 1.20 1.11 -1.26 -5.01 116.67 120.45 1wk1 s ASP 95 Ca 0.31 0.58 -0.10 0.00 0.18 0.00 0.00 52.55 53.52 1wk1 s ASP 95 Cb 0.20 -2.14 -0.02 0.00 1.07 0.00 0.00 42.92 42.02 1wk1 s ASP 95 CO -0.03 0.31 1.48 1.55 1.18 0.00 0.00 175.17 179.66 1wk1 h PRO 96 N 5.35 0.92 -0.43 8.23 0.13 -2.04 -3.13 132.00 141.04 1wk1 h PRO 96 Ca -0.50 -0.48 -0.05 0.00 -0.87 0.00 0.00 66.00 64.09 1wk1 h PRO 96 Cb 1.21 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1wk1 h PRO 96 CO 0.64 1.14 0.06 1.79 -0.23 0.00 0.00 178.00 181.40 1wk1 h THR 97 N 0.75 1.21 -3.76 1.56 1.35 -1.99 -3.40 112.91 108.63 1wk1 h THR 97 Ca 0.06 -0.77 -0.65 0.00 -0.55 0.00 0.00 66.41 64.50 1wk1 h THR 97 Cb 0.98 0.81 -0.17 0.00 -1.73 0.00 0.00 68.15 68.04 1wk1 h THR 97 CO 0.09 0.28 -0.40 -0.13 -0.25 0.00 0.00 175.52 175.11 1wk1 s ARG 98 N -5.09 3.74 0.00 4.72 0.52 -1.18 -4.11 118.95 117.55 1wk1 s ARG 98 Ca -0.08 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1wk1 s ARG 98 Cb 0.16 -3.74 0.00 0.00 0.52 0.00 0.00 34.95 31.89 1wk1 s ARG 98 CO 0.78 -0.36 0.00 1.04 0.02 0.00 0.00 175.30 176.78 1wk1 n GLN 99 N 5.21 0.04 -2.55 3.54 6.02 -1.20 -4.52 117.38 123.93 1wk1 n GLN 99 Ca -0.11 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.57 1wk1 n GLN 99 Cb 0.50 -0.88 -0.03 0.00 1.02 0.00 0.00 30.24 30.86 1wk1 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wk1 s VAL 101 N -2.59 2.73 -0.02 0.00 1.01 -1.20 0.10 120.40 120.43 1wk1 s VAL 101 Ca 0.54 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1wk1 s VAL 101 Cb -0.10 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1wk1 s VAL 101 CO 0.35 0.40 -0.04 -0.72 0.00 0.00 0.00 175.10 175.09 1wk1 s TYR 102 N -0.86 0.52 0.11 5.22 -0.85 0.03 -3.54 117.35 117.98 1wk1 s TYR 102 Ca 0.13 -0.10 -0.31 0.00 -0.52 0.00 0.00 57.07 56.27 1wk1 s TYR 102 Cb -0.10 -0.42 -0.10 0.00 0.38 0.00 0.00 41.96 41.71 1wk1 s TYR 102 CO 0.04 -0.08 1.83 0.12 -1.52 0.00 0.00 175.55 175.93 1wk1 s PHE 103 N 0.39 2.09 -0.92 -3.49 2.19 0.15 -2.87 117.98 115.52 1wk1 s PHE 103 Ca -0.04 -0.04 -0.15 0.00 0.33 0.00 0.00 56.93 57.03 1wk1 s PHE 103 Cb -0.08 -4.17 0.20 0.00 -1.31 0.00 0.00 43.02 37.66 1wk1 s PHE 103 CO -0.00 -4.85 0.97 0.34 1.83 0.00 0.00 175.22 173.50 1wk1 s ASP 104 N 2.85 6.82 0.16 6.13 2.15 0.16 -3.02 116.67 131.92 1wk1 s ASP 104 Ca 0.81 -2.64 -0.15 0.00 0.43 0.00 0.00 52.55 50.99 1wk1 s ASP 104 Cb -0.45 -2.28 0.05 0.00 -0.30 0.00 0.00 42.92 39.93 1wk1 s ASP 104 CO 0.36 -0.69 1.81 1.23 -0.17 0.00 0.00 175.17 177.71 1wk1 h GLY 105 N 8.56 0.61 0.19 2.66 0.00 -1.62 -2.56 103.07 110.90 1wk1 h GLY 105 Ca 0.15 -0.21 0.15 0.00 0.00 0.00 0.00 47.33 47.42 1wk1 h GLY 105 CO 0.93 0.19 0.40 3.21 0.00 0.00 0.00 176.54 181.27 1wk1 h ARG 106 N 0.55 0.55 -4.06 4.80 3.08 -1.79 -3.35 114.38 114.15 1wk1 h ARG 106 Ca 0.17 -0.03 -0.44 0.00 0.07 0.00 0.00 59.98 59.74 1wk1 h ARG 106 Cb -0.02 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 29.85 1wk1 h ARG 106 CO -0.06 0.36 1.26 0.45 -1.07 0.00 0.00 179.97 180.92 1wk1 n SER 107 N -4.91 0.32 -0.37 7.04 2.88 -0.97 -4.67 113.62 112.94 1wk1 n SER 107 Ca 0.17 0.24 0.33 0.00 -1.33 0.00 0.00 58.87 58.28 1wk1 n SER 107 Cb 0.44 -0.70 0.57 0.00 -0.75 0.00 0.00 64.21 63.77 1wk1 n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wk1 n GLY 108 N 5.22 -0.72 3.89 0.46 0.00 -1.26 -4.21 105.19 108.57 1wk1 n GLY 108 Ca 0.49 0.69 -0.35 0.00 0.00 0.00 0.00 46.02 46.85 1wk1 n GLY 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wk1 s ASP 109 N -4.40 6.47 0.28 1.61 2.15 -1.26 -5.00 116.67 116.52 1wk1 s ASP 109 Ca -0.07 0.52 0.23 0.00 0.43 0.00 0.00 52.55 53.66 1wk1 s ASP 109 Cb 0.28 -2.07 0.13 0.00 -0.30 0.00 0.00 42.92 40.96 1wk1 s ASP 109 CO 0.72 0.27 1.24 0.07 -0.17 0.00 0.00 175.17 177.30 1wk1 h LYS 110 N 4.07 0.00 0.00 4.34 5.09 -1.95 -3.27 116.57 124.85 1wk1 h LYS 110 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.24 1wk1 h LYS 110 Cb 1.20 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.53 1wk1 h LYS 110 CO 0.66 0.00 -0.06 -1.13 -2.09 0.00 0.00 179.45 176.83 1wk1 n SER 111 N -2.80 0.36 -1.66 7.07 3.41 -1.26 -3.50 113.62 115.23 1wk1 n SER 111 Ca 0.01 0.47 -0.11 0.00 -0.26 0.00 0.00 58.87 58.98 1wk1 n SER 111 Cb 0.54 -0.53 0.08 0.00 -0.26 0.00 0.00 64.21 64.03 1wk1 n SER 111 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wk1 n LYS 112 N -1.80 2.63 0.06 4.33 5.02 -1.23 -4.16 118.16 123.00 1wk1 n LYS 112 Ca 0.06 -3.73 -0.09 0.00 -2.02 0.00 0.00 58.31 52.53 1wk1 n LYS 112 Cb 0.38 -1.89 -0.13 0.00 -0.02 0.00 0.00 35.03 33.37 1wk1 n LYS 112 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1wk1 h VAL 113 N 2.46 1.55 -2.32 -0.18 -1.51 -1.59 -3.39 116.25 111.27 1wk1 h VAL 113 Ca 0.18 -3.25 -0.55 0.00 -1.23 0.00 0.00 66.70 61.85 1wk1 h VAL 113 Cb 1.37 2.82 0.01 0.00 -2.13 0.00 0.00 31.29 33.36 1wk1 h VAL 113 CO 0.44 0.90 1.28 0.26 -1.23 0.00 0.00 177.57 179.23 1wk1 s TRP 114 N -2.68 1.38 -0.02 5.19 0.52 -1.12 0.38 118.94 122.58 1wk1 s TRP 114 Ca -0.01 -0.05 -0.00 0.00 0.02 0.00 0.00 56.10 56.05 1wk1 s TRP 114 Cb 0.09 -4.11 0.03 0.00 -1.15 0.00 0.00 33.47 28.33 1wk1 s TRP 114 CO 0.83 -4.81 0.04 0.99 0.02 0.00 0.00 176.95 174.02 1wk1 s THR 115 N 5.53 -0.06 0.67 2.01 2.01 -1.14 -0.77 115.64 123.89 1wk1 s THR 115 Ca 0.89 0.23 -0.11 0.00 0.31 0.00 0.00 61.69 63.01 1wk1 s THR 115 Cb -0.38 -0.09 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 1wk1 s THR 115 CO 0.38 0.10 1.05 0.42 -0.69 0.00 0.00 174.62 175.88 1wk1 s THR 116 N 1.17 4.19 -0.12 -0.82 -4.23 -1.26 -0.79 115.64 113.77 1wk1 s THR 116 Ca -0.08 0.73 -0.33 0.00 -1.18 0.00 0.00 61.69 60.83 1wk1 s THR 116 Cb -0.13 -3.51 0.13 0.00 1.34 0.00 0.00 72.50 70.33 1wk1 s THR 116 CO -0.03 -0.91 1.16 -0.62 -0.54 0.00 0.00 174.62 173.68 1wk1 s ASP 117 N -3.83 -0.16 0.61 3.99 2.15 0.11 -4.85 116.67 114.69 1wk1 s ASP 117 Ca 0.58 -0.04 -0.19 0.00 0.43 0.00 0.00 52.55 53.32 1wk1 s ASP 117 Cb -0.13 0.20 -0.03 0.00 -0.30 0.00 0.00 42.92 42.65 1wk1 s ASP 117 CO 0.54 -0.33 1.25 1.07 -0.17 0.00 0.00 175.17 177.52 1wk1 n THR 118 N -0.20 4.36 -0.04 1.71 5.66 -1.26 -2.42 114.28 122.10 1wk1 n THR 118 Ca -0.03 -0.50 -0.10 0.00 -3.05 0.00 0.00 64.05 60.37 1wk1 n THR 118 Cb 0.60 -1.48 0.09 0.00 -1.55 0.00 0.00 70.33 68.00 1wk1 n THR 118 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wk1 n ALA 120 N -0.23 1.61 -2.29 0.00 0.00 -1.26 -3.56 120.51 114.79 1wk1 n ALA 120 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.29 1wk1 n ALA 120 Cb 1.03 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.45 1wk1 n ALA 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1wk1 s THR 121 N -1.14 3.92 -0.41 0.00 2.01 -1.23 -4.68 115.64 114.12 1wk1 s THR 121 Ca 0.00 1.24 -0.28 0.00 0.31 0.00 0.00 61.69 62.96 1wk1 s THR 121 Cb 0.00 -3.80 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1wk1 s THR 121 CO 0.00 -0.04 1.73 -2.16 -0.69 0.00 0.00 174.62 173.47 1wk1 s PRO 122 N 2.78 3.24 0.05 4.92 0.04 -1.26 -4.25 135.00 140.52 1wk1 s PRO 122 Ca 0.61 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.79 1wk1 s PRO 122 Cb -0.28 -4.20 -0.04 0.00 0.04 0.00 0.00 34.50 30.02 1wk1 s PRO 122 CO 0.23 -1.98 -0.02 1.03 0.04 0.00 0.00 177.00 176.31 1wk1 s ARG 123 N 5.80 0.61 0.93 4.56 0.52 -1.22 -4.67 118.95 125.48 1wk1 s ARG 123 Ca 0.73 -1.17 -0.12 0.00 -0.52 0.00 0.00 55.73 54.65 1wk1 s ARG 123 Cb -0.19 0.21 0.15 0.00 0.52 0.00 0.00 34.95 35.65 1wk1 s ARG 123 CO 0.31 -0.12 1.09 -1.25 0.02 0.00 0.00 175.30 175.35 1wk1 s PRO 124 N -3.79 0.97 0.18 3.54 0.04 -1.25 -1.53 135.00 133.15 1wk1 s PRO 124 Ca 0.06 0.72 -0.00 0.00 0.04 0.00 0.00 61.00 61.81 1wk1 s PRO 124 Cb 0.07 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1wk1 s PRO 124 CO -0.10 -2.41 0.24 1.97 0.04 0.00 0.00 177.00 176.74 1wk1 n PHE 125 N -3.99 -0.91 -3.71 0.56 -1.74 -1.26 -0.11 117.46 106.31 1wk1 n PHE 125 Ca 0.06 -1.25 -0.15 0.00 -0.56 0.00 0.00 57.45 55.55 1wk1 n PHE 125 Cb 0.56 0.27 -0.15 0.00 1.52 0.00 0.00 39.48 41.68 1wk1 n PHE 125 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 1wk1 s ILE 126 N -2.64 -0.15 0.22 1.97 1.01 -1.26 -2.60 121.20 117.74 1wk1 s ILE 126 Ca 0.16 0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.91 1wk1 s ILE 126 Cb -0.00 -0.26 -0.08 0.00 0.01 0.00 0.00 42.46 42.13 1wk1 s ILE 126 CO 0.11 0.11 0.67 0.00 0.00 0.00 0.00 174.94 175.84 1wk1 s GLN 128 N -2.15 0.59 0.55 0.00 0.74 0.26 -1.91 119.66 117.74 1wk1 s GLN 128 Ca 0.43 -0.74 -0.00 0.00 0.05 0.00 0.00 55.36 55.11 1wk1 s GLN 128 Cb -0.15 -0.44 0.03 0.00 1.10 0.00 0.00 33.01 33.55 1wk1 s GLN 128 CO 0.20 0.09 0.79 0.15 -0.55 0.00 0.00 175.29 175.97 1wk1 s LYS 129 N -1.43 2.62 -0.85 1.67 -0.14 -1.26 -2.03 119.74 118.32 1wk1 s LYS 129 Ca -0.07 -0.63 -0.18 0.00 -1.36 0.00 0.00 55.97 53.73 1wk1 s LYS 129 Cb -0.09 -2.46 0.13 0.00 -1.68 0.00 0.00 37.83 33.74 1wk1 s LYS 129 CO 0.01 -0.68 1.01 -3.38 -0.76 0.00 0.00 175.35 171.55 1wk1 s HIS 130 N -2.78 3.15 -0.70 3.18 -3.43 -1.26 -4.94 115.29 108.50 1wk1 s HIS 130 Ca 0.56 -1.34 0.04 0.00 -0.80 0.00 0.00 55.06 53.52 1wk1 s HIS 130 Cb -0.10 -4.19 0.17 0.00 -1.43 0.00 0.00 32.58 27.03 1wk1 s HIS 130 CO 0.39 -1.41 0.49 0.50 -2.00 0.00 0.00 174.74 172.71 1wk1 s ARG 131 N 2.47 2.50 -0.29 -0.38 3.52 -1.26 -4.93 118.95 120.57 1wk1 s ARG 131 Ca 0.27 -3.23 -0.24 0.00 -0.13 0.00 0.00 55.73 52.41 1wk1 s ARG 131 Cb -0.09 -3.48 0.17 0.00 -1.56 0.00 0.00 34.95 29.99 1wk1 s ARG 131 CO -0.06 -1.26 1.27 1.52 -0.81 0.00 0.00 175.30 175.97 1wk1 s TYR 132 N -1.26 -0.22 -1.30 5.12 -0.85 -1.26 -4.97 117.35 112.62 1wk1 s TYR 132 Ca 0.24 0.51 -0.12 0.00 -0.52 0.00 0.00 57.07 57.19 1wk1 s TYR 132 Cb -0.08 0.40 0.12 0.00 0.38 0.00 0.00 41.96 42.77 1wk1 s TYR 132 CO -0.14 -0.11 0.29 -3.47 -1.52 0.00 0.00 175.55 170.61 1wk1 n ASP 133 N 2.06 -0.65 0.06 -0.18 -0.08 -1.26 -4.77 116.55 111.73 1wk1 n ASP 133 Ca -0.12 -0.92 -0.13 0.00 -1.51 0.00 0.00 54.79 52.11 1wk1 n ASP 133 Cb 0.57 -1.16 -0.07 0.00 2.34 0.00 0.00 41.12 42.79 1wk1 n ASP 133 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1wk1 h SER 134 N -0.77 -1.25 -5.08 1.67 4.64 -1.93 -3.45 113.55 107.38 1wk1 h SER 134 Ca -0.45 0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 60.99 1wk1 h SER 134 Cb 1.02 0.49 -0.11 0.00 -0.31 0.00 0.00 62.40 63.48 1wk1 h SER 134 CO 0.61 -0.46 0.01 1.51 -0.87 0.00 0.00 176.83 177.64 1wk1 s ASP 135 N -4.79 -0.28 -0.15 4.97 -4.77 -1.26 -5.10 116.67 105.29 1wk1 s ASP 135 Ca -0.16 -0.40 -0.15 0.00 -3.30 0.00 0.00 52.55 48.54 1wk1 s ASP 135 Cb 0.08 0.55 -0.05 0.00 -1.09 0.00 0.00 42.92 42.42 1wk1 s ASP 135 CO 0.64 -0.99 -0.29 1.41 0.70 0.00 0.00 175.17 176.64 1wk1 n HIS 136 N -0.31 0.00 -3.73 2.11 8.25 -1.26 -5.02 115.22 115.26 1wk1 n HIS 136 Ca -0.12 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.18 1wk1 n HIS 136 Cb 0.63 -0.41 -0.16 0.00 1.12 0.00 0.00 29.99 31.16 1wk1 n HIS 136 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1wk1 s LYS 137 N -2.58 -0.03 0.30 -0.41 0.00 -1.26 -5.03 119.74 110.72 1wk1 s LYS 137 Ca -0.24 0.30 0.08 0.00 0.00 0.00 0.00 55.97 56.11 1wk1 s LYS 137 Cb 0.03 -0.32 0.45 0.00 0.00 0.00 0.00 37.83 38.00 1wk1 s LYS 137 CO 0.35 -0.23 1.69 -1.00 0.00 0.00 0.00 175.35 176.16 1wk1 h PRO 138 N 7.71 0.16 -0.85 1.78 0.13 -1.98 -3.23 132.00 135.71 1wk1 h PRO 138 Ca -0.33 -0.08 0.32 0.00 -0.87 0.00 0.00 66.00 65.04 1wk1 h PRO 138 Cb 1.12 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.14 1wk1 h PRO 138 CO 0.35 0.60 0.51 -1.71 -0.23 0.00 0.00 178.00 177.51 1wk1 n ASN 139 N -3.98 0.21 -3.44 1.44 2.85 -1.26 -3.77 115.26 107.31 1wk1 n ASN 139 Ca -0.02 1.12 -0.09 0.00 -0.11 0.00 0.00 54.58 55.48 1wk1 n ASN 139 Cb 0.51 -0.55 -0.09 0.00 1.24 0.00 0.00 39.78 40.90 1wk1 n ASN 139 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1wk1 s THR 140 N -4.97 -0.61 -0.30 -0.44 -4.23 -1.22 -5.12 115.64 98.75 1wk1 s THR 140 Ca -0.06 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.30 1wk1 s THR 140 Cb 0.24 -0.76 0.18 0.00 1.34 0.00 0.00 72.50 73.49 1wk1 s THR 140 CO 0.58 -0.07 1.08 -0.51 -0.54 0.00 0.00 174.62 175.16 1wk1 s ILE 141 N 2.56 -0.34 -0.30 2.99 1.10 -1.25 -4.83 121.20 121.14 1wk1 s ILE 141 Ca 0.09 0.00 0.03 0.00 -0.51 0.00 0.00 60.65 60.26 1wk1 s ILE 141 Cb -0.14 -1.00 0.08 0.00 0.15 0.00 0.00 42.46 41.55 1wk1 s ILE 141 CO -0.15 0.00 -0.01 -0.83 -2.11 0.00 0.00 174.94 171.84 1wk1 s GLY 142 N 2.57 1.69 0.36 1.50 0.00 -1.26 -5.08 107.32 107.10 1wk1 s GLY 142 Ca -0.01 -2.05 0.07 0.00 0.00 0.00 0.00 44.72 42.72 1wk1 s GLY 142 CO -0.15 0.88 -0.01 0.51 0.00 0.00 0.00 173.10 174.33 1wk1 s ASP 143 N 1.09 3.32 -0.65 1.64 -4.77 -1.26 -5.10 116.67 110.94 1wk1 s ASP 143 Ca 0.02 -1.31 -0.18 0.00 -3.30 0.00 0.00 52.55 47.78 1wk1 s ASP 143 Cb -0.19 -0.28 0.12 0.00 -1.09 0.00 0.00 42.92 41.48 1wk1 s ASP 143 CO -0.08 -0.42 0.74 0.00 0.70 0.00 0.00 175.17 176.11 1wk1 s ALA 144 N -2.88 3.51 -0.02 2.11 0.00 -1.26 -5.02 121.76 118.20 1wk1 s ALA 144 Ca 0.34 -2.44 0.03 0.00 0.00 0.00 0.00 51.96 49.89 1wk1 s ALA 144 Cb 0.07 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.63 1wk1 s ALA 144 CO 0.16 -2.38 -0.09 0.45 0.00 0.00 0.00 175.76 173.89 1wk1 s SER 145 N 3.46 1.20 0.00 0.00 0.15 -1.26 -5.13 113.70 112.12 1wk1 s SER 145 Ca 0.14 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1wk1 s SER 145 Cb -0.21 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1wk1 s SER 145 CO 0.03 0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1wk1 n GLY 146 N 3.13 2.95 3.65 9.45 0.00 -1.26 -5.17 105.19 117.94 1wk1 n GLY 146 Ca -0.17 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.42 1wk1 n GLY 146 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wk1 s PRO 147 N -1.08 -0.08 0.75 1.61 0.04 -1.26 -4.98 135.00 130.00 1wk1 s PRO 147 Ca 0.00 0.35 -0.16 0.00 0.04 0.00 0.00 61.00 61.23 1wk1 s PRO 147 Cb 0.00 -1.69 -0.00 0.00 0.04 0.00 0.00 34.50 32.84 1wk1 s PRO 147 CO 0.00 -3.03 0.75 -1.13 0.04 0.00 0.00 177.00 173.63 1wk1 n SER 148 N -4.36 -0.40 -4.77 6.66 3.41 -1.26 -4.90 113.62 108.01 1wk1 n SER 148 Ca 0.07 0.60 -0.41 0.00 -0.26 0.00 0.00 58.87 58.87 1wk1 n SER 148 Cb 0.58 -1.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.19 1wk1 n SER 148 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wk1 s SER 149 N -1.64 6.67 0.00 4.04 0.01 -1.26 -5.25 113.70 116.27 1wk1 s SER 149 Ca 0.69 2.74 0.11 0.00 1.31 0.00 0.00 55.95 60.79 1wk1 s SER 149 Cb -0.33 -2.65 0.08 0.00 0.21 0.00 0.00 66.02 63.34 1wk1 s SER 149 CO 0.55 -0.63 0.83 0.61 0.41 0.00 0.00 173.24 175.02