#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk1 s SER 2 N 0.00 1.00 -0.17 1.61 0.01 -1.26 -5.14 113.70 109.75 1wk1 s SER 2 Ca 0.00 0.17 -0.23 0.00 1.31 0.00 0.00 55.95 57.21 1wk1 s SER 2 Cb 0.00 0.05 0.06 0.00 0.21 0.00 0.00 66.02 66.33 1wk1 s SER 2 CO 0.00 -0.25 0.60 -0.55 0.41 0.00 0.00 173.24 173.45 1wk1 s SER 3 N 2.23 -0.60 0.11 2.44 0.15 -1.26 -4.30 113.70 112.47 1wk1 s SER 3 Ca 0.04 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.70 1wk1 s SER 3 Cb -0.12 1.00 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 1wk1 s SER 3 CO -0.04 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1wk1 n GLY 4 N 2.20 -0.05 3.86 9.45 0.00 -1.26 -5.07 105.19 114.33 1wk1 n GLY 4 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1wk1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wk1 s SER 5 N -5.94 5.77 -0.18 1.61 0.15 -1.26 -5.03 113.70 108.80 1wk1 s SER 5 Ca 0.00 1.36 -0.16 0.00 0.70 0.00 0.00 55.95 57.85 1wk1 s SER 5 Cb 0.00 -2.29 -0.07 0.00 -1.71 0.00 0.00 66.02 61.95 1wk1 s SER 5 CO 0.00 -1.16 -0.29 -0.24 1.20 0.00 0.00 173.24 172.75 1wk1 n SER 6 N -2.92 1.91 0.00 5.45 2.88 -1.26 -4.90 113.62 114.77 1wk1 n SER 6 Ca 0.07 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1wk1 n SER 6 Cb 0.55 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 1wk1 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wk1 n GLY 7 N 1.47 0.31 3.76 0.46 0.00 -1.26 -4.74 105.19 105.19 1wk1 n GLY 7 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1wk1 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wk1 s VAL 8 N 0.00 3.65 0.89 1.61 0.11 -1.26 -5.04 120.40 120.36 1wk1 s VAL 8 Ca 0.00 1.67 -0.12 0.00 -2.93 0.00 0.00 61.98 60.59 1wk1 s VAL 8 Cb 0.00 -4.06 0.12 0.00 -1.53 0.00 0.00 36.38 30.91 1wk1 s VAL 8 CO 0.00 0.40 1.14 -0.54 -3.33 0.00 0.00 175.10 172.77 1wk1 s LYS 9 N -1.37 1.33 0.11 1.54 1.02 -1.26 -4.95 119.74 116.16 1wk1 s LYS 9 Ca 0.43 0.29 0.10 0.00 0.02 0.00 0.00 55.97 56.81 1wk1 s LYS 9 Cb -0.30 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.11 1wk1 s LYS 9 CO 0.38 -2.07 -0.22 -0.06 -0.92 0.00 0.00 175.35 172.47 1wk1 s PHE 10 N -3.31 2.44 -1.33 3.18 0.08 -1.26 -4.60 117.98 113.18 1wk1 s PHE 10 Ca 0.63 -0.31 -0.07 0.00 0.12 0.00 0.00 56.93 57.30 1wk1 s PHE 10 Cb -0.14 -1.32 0.05 0.00 -0.57 0.00 0.00 43.02 41.04 1wk1 s PHE 10 CO 0.53 0.35 0.47 1.28 -0.10 0.00 0.00 175.22 177.74 1wk1 n LEU 11 N 0.93 -1.80 -3.91 -0.37 4.77 0.01 -4.95 117.00 111.69 1wk1 n LEU 11 Ca -0.17 -0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 55.36 1wk1 n LEU 11 Cb 0.53 -2.34 -0.15 0.00 -2.33 0.00 0.00 43.42 39.13 1wk1 n LEU 11 CO 0.26 0.15 -0.39 0.42 -1.33 0.00 0.00 177.39 176.50 1wk1 s THR 12 N -2.96 0.27 -0.15 -5.08 -4.23 -1.26 -5.04 115.64 97.19 1wk1 s THR 12 Ca 0.33 -0.11 -0.29 0.00 -1.18 0.00 0.00 61.69 60.44 1wk1 s THR 12 Cb -0.17 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.39 1wk1 s THR 12 CO 0.41 0.09 1.62 -0.69 -0.54 0.00 0.00 174.62 175.51 1wk1 s VAL 13 N 0.10 3.68 -0.47 2.29 1.01 -1.26 -4.47 120.40 121.28 1wk1 s VAL 13 Ca -0.01 0.80 -0.21 0.00 0.00 0.00 0.00 61.98 62.56 1wk1 s VAL 13 Cb -0.03 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1wk1 s VAL 13 CO -0.00 -0.18 0.70 0.20 0.00 0.00 0.00 175.10 175.81 1wk1 s ASN 14 N 3.80 6.31 0.19 3.32 0.01 -0.99 -4.95 114.94 122.63 1wk1 s ASN 14 Ca 0.71 -0.46 -0.17 0.00 -0.71 0.00 0.00 52.86 52.24 1wk1 s ASN 14 Cb -0.28 -2.34 0.16 0.00 0.41 0.00 0.00 41.25 39.20 1wk1 s ASN 14 CO 0.28 -0.89 1.32 -0.90 -1.51 0.00 0.00 177.10 175.40 1wk1 n ASP 15 N 6.48 -0.61 -3.52 -1.22 5.75 -1.26 -4.17 116.55 118.00 1wk1 n ASP 15 Ca -0.02 1.49 -0.40 0.00 -0.01 0.00 0.00 54.79 55.86 1wk1 n ASP 15 Cb 0.47 -0.32 -0.11 0.00 -1.03 0.00 0.00 41.12 40.13 1wk1 n ASP 15 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1wk1 n ASP 16 N -5.22 0.40 -4.72 -1.12 8.00 -1.26 -4.55 116.55 108.07 1wk1 n ASP 16 Ca 0.08 0.32 -0.42 0.00 0.71 0.00 0.00 54.79 55.48 1wk1 n ASP 16 Cb 0.32 -0.73 -0.04 0.00 -0.02 0.00 0.00 41.12 40.66 1wk1 n ASP 16 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1wk1 s ILE 17 N 6.14 4.73 -0.01 0.53 -4.36 -1.26 -4.50 121.20 122.48 1wk1 s ILE 17 Ca 1.03 2.03 -0.14 0.00 -0.26 0.00 0.00 60.65 63.31 1wk1 s ILE 17 Cb -1.09 -4.31 0.02 0.00 1.25 0.00 0.00 42.46 38.33 1wk1 s ILE 17 CO 0.45 0.23 0.29 -0.76 0.24 0.00 0.00 174.94 175.39 1wk1 s LEU 18 N 0.59 0.95 0.90 0.37 1.43 -0.41 -4.63 118.68 117.88 1wk1 s LEU 18 Ca 0.49 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.50 1wk1 s LEU 18 Cb -0.22 1.20 0.13 0.00 0.03 0.00 0.00 46.19 47.33 1wk1 s LEU 18 CO 0.28 -0.46 1.11 -0.94 0.23 0.00 0.00 176.35 176.58 1wk1 s SER 19 N -1.41 3.23 0.17 2.29 1.04 -1.26 -2.38 113.70 115.37 1wk1 s SER 19 Ca -0.13 1.91 -0.19 0.00 0.48 0.00 0.00 55.95 58.02 1wk1 s SER 19 Cb -0.05 -2.47 0.09 0.00 0.10 0.00 0.00 66.02 63.69 1wk1 s SER 19 CO 0.03 -2.86 1.64 -0.03 0.98 0.00 0.00 173.24 173.00 1wk1 h MET 20 N -1.70 -0.11 0.00 4.02 4.05 -1.78 0.52 114.93 119.93 1wk1 h MET 20 Ca -0.46 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1wk1 h MET 20 Cb 1.27 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1wk1 h MET 20 CO 0.47 -0.08 0.00 -0.35 0.23 0.00 0.00 176.91 177.19 1wk1 n PRO 21 N -5.36 0.36 -0.07 0.39 -0.04 -1.26 -2.58 135.00 126.44 1wk1 n PRO 21 Ca 0.02 0.07 -0.07 0.00 -0.04 0.00 0.00 63.50 63.47 1wk1 n PRO 21 Cb 0.27 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.13 1.62 0.15 0.54 6.02 0.10 -4.37 117.38 120.31 1wk1 n GLN 22 Ca 0.10 0.02 -0.07 0.00 -0.01 0.00 0.00 57.00 57.03 1wk1 n GLN 22 Cb 0.08 -1.32 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 1wk1 n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wk1 h ALA 23 N 0.47 -0.53 -0.96 -1.58 0.00 0.08 -2.74 119.26 114.01 1wk1 h ALA 23 Ca -0.34 -0.10 0.26 0.00 0.00 0.00 0.00 54.91 54.73 1wk1 h ALA 23 Cb 1.71 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 19.54 1wk1 h ALA 23 CO 0.00 -0.49 0.49 0.07 0.00 0.00 0.00 179.25 179.31 1wk1 h ARG 24 N -0.91 0.41 -0.84 0.00 0.11 -1.76 0.41 114.38 111.80 1wk1 h ARG 24 Ca -0.05 -0.02 -0.03 0.00 0.10 0.00 0.00 59.98 59.98 1wk1 h ARG 24 Cb 0.34 -0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.29 1wk1 h ARG 24 CO 0.07 0.27 0.39 -0.97 0.10 0.00 0.00 179.97 179.83 1wk1 h ASN 25 N 0.42 1.11 0.48 0.08 -1.24 -1.76 -2.21 115.58 112.46 1wk1 h ASN 25 Ca 0.63 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.48 1wk1 h ASN 25 Cb 1.28 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 40.04 1wk1 h ASN 25 CO -0.55 0.94 -0.23 0.15 -1.29 0.00 0.00 177.43 176.46 1wk1 h PHE 26 N 1.20 -0.60 -0.89 0.67 3.04 0.09 -2.08 116.94 118.37 1wk1 h PHE 26 Ca 0.29 -0.01 0.24 0.00 3.98 0.00 0.00 57.97 62.46 1wk1 h PHE 26 Cb 0.14 0.20 -0.16 0.00 2.56 0.00 0.00 35.95 38.69 1wk1 h PHE 26 CO 0.02 -0.37 0.12 0.00 -2.02 0.00 0.00 178.31 176.06 1wk1 h ALA 28 N 1.85 0.20 -0.86 0.00 0.00 -0.68 0.53 119.26 120.29 1wk1 h ALA 28 Ca 0.55 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.45 1wk1 h ALA 28 Cb 1.11 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1wk1 h ALA 28 CO -0.76 -0.32 0.55 0.77 0.00 0.00 0.00 179.25 179.50 1wk1 h SER 29 N 0.21 0.99 -0.34 0.00 0.02 0.17 -2.72 113.55 111.87 1wk1 h SER 29 Ca 0.06 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1wk1 h SER 29 Cb -0.02 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 1wk1 h SER 29 CO -0.01 0.73 -0.05 0.00 -1.14 0.00 0.00 176.83 176.36 1wk1 h ALA 30 N 1.30 0.47 0.00 3.77 0.00 -0.56 -3.47 119.26 120.77 1wk1 h ALA 30 Ca 0.31 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wk1 h ALA 30 Cb -0.11 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1wk1 h ALA 30 CO -0.07 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1wk1 n GLY 31 N -0.23 0.19 0.00 0.00 0.00 0.33 -5.00 105.19 100.48 1wk1 n GLY 31 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 1.66 3.31 -0.02 0.00 0.16 -4.61 105.19 105.69 1wk1 n GLY 32 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 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 -6.02 -0.05 0.20 1.61 1.13 -0.24 -1.75 117.35 112.23 1wk1 s TYR 33 Ca 0.00 -0.30 -0.32 0.00 -1.41 0.00 0.00 57.07 55.04 1wk1 s TYR 33 Cb 0.00 0.16 -0.15 0.00 -1.10 0.00 0.00 41.96 40.87 1wk1 s TYR 33 CO 0.00 -0.69 1.17 1.28 -2.51 0.00 0.00 175.55 174.80 1wk1 n LEU 34 N -0.20 1.76 -4.65 -3.49 4.77 -1.26 0.54 117.00 114.48 1wk1 n LEU 34 Ca -0.14 1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 56.56 1wk1 n LEU 34 Cb 0.63 -1.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.44 1wk1 n LEU 34 CO 0.19 -1.22 0.81 0.00 -1.33 0.00 0.00 177.39 175.85 1wk1 s ALA 35 N -0.31 3.66 0.78 -1.18 0.00 -0.40 -4.54 121.76 119.77 1wk1 s ALA 35 Ca 0.70 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.58 1wk1 s ALA 35 Cb -0.80 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 18.93 1wk1 s ALA 35 CO 0.53 -1.04 1.11 -0.51 0.00 0.00 0.00 175.76 175.84 1wk1 s ASP 36 N 1.30 4.29 -0.51 0.00 1.01 -1.26 -3.25 116.67 118.25 1wk1 s ASP 36 Ca 0.40 1.91 0.07 0.00 0.71 0.00 0.00 52.55 55.65 1wk1 s ASP 36 Cb -0.15 -2.53 0.30 0.00 1.01 0.00 0.00 42.92 41.54 1wk1 s ASP 36 CO 0.07 -2.18 0.75 0.47 0.21 0.00 0.00 175.17 174.49 1wk1 n ASP 37 N -3.52 2.53 -4.01 0.27 9.92 -1.26 -4.89 116.55 115.59 1wk1 n ASP 37 Ca 0.10 -3.25 -0.32 0.00 -0.53 0.00 0.00 54.79 50.79 1wk1 n ASP 37 Cb 0.53 -0.62 -0.13 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 -2.46 4.68 0.00 0.64 2.34 -1.26 -4.75 118.68 117.88 1wk1 s LEU 38 Ca 0.41 -2.62 0.00 0.00 0.06 0.00 0.00 54.13 51.98 1wk1 s LEU 38 Cb 0.23 -1.69 0.00 0.00 -0.56 0.00 0.00 46.19 44.18 1wk1 s LEU 38 CO -0.08 -0.33 0.00 0.61 -1.06 0.00 0.00 176.35 175.49 1wk1 n GLY 39 N 3.67 4.30 0.27 -3.48 0.00 -1.26 -4.82 105.19 103.87 1wk1 n GLY 39 Ca 0.04 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.41 1wk1 n GLY 39 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1wk1 h ASP 40 N 0.00 0.32 0.41 1.61 3.58 -1.99 0.50 116.42 120.85 1wk1 h ASP 40 Ca 0.00 -0.04 -0.31 0.00 0.42 0.00 0.00 57.03 57.10 1wk1 h ASP 40 Cb 0.00 -0.08 0.02 0.00 1.72 0.00 0.00 39.33 40.99 1wk1 h ASP 40 CO 0.00 0.35 -1.43 0.44 -2.88 0.00 0.00 179.24 175.71 1wk1 h ASP 41 N 0.35 0.62 0.29 2.28 3.32 -1.99 -2.94 116.42 118.36 1wk1 h ASP 41 Ca 0.09 -0.71 -0.01 0.00 0.02 0.00 0.00 57.03 56.41 1wk1 h ASP 41 Cb 0.17 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1wk1 h ASP 41 CO -0.00 1.56 -0.14 0.50 -1.72 0.00 0.00 179.24 179.44 1wk1 h LYS 42 N 0.11 -0.37 -0.21 3.56 1.63 -1.79 -1.50 116.57 118.00 1wk1 h LYS 42 Ca -0.22 0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.64 1wk1 h LYS 42 Cb 2.08 0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 33.76 1wk1 h LYS 42 CO 0.23 -0.05 -0.02 -0.97 -3.45 0.00 0.00 179.45 175.19 1wk1 h ASN 43 N -0.75 -0.13 -0.05 4.20 -1.24 -1.06 -2.70 115.58 113.85 1wk1 h ASN 43 Ca -0.04 0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.05 1wk1 h ASN 43 Cb 0.50 0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.62 1wk1 h ASN 43 CO 0.07 -0.04 -0.13 0.78 -1.29 0.00 0.00 177.43 176.81 1wk1 h ASN 44 N 0.04 -0.40 -0.77 1.15 2.35 -1.56 0.11 115.58 116.50 1wk1 h ASN 44 Ca 0.10 0.07 0.13 0.00 -0.55 0.00 0.00 56.30 56.05 1wk1 h ASN 44 Cb 0.14 0.18 -0.14 0.00 0.05 0.00 0.00 38.32 38.55 1wk1 h ASN 44 CO -0.19 -0.18 -0.32 0.15 -1.65 0.00 0.00 177.43 175.24 1wk1 h PHE 45 N -0.20 -0.85 -0.11 1.19 3.57 -0.96 -0.73 116.94 118.85 1wk1 h PHE 45 Ca 0.06 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1wk1 h PHE 45 Cb 0.29 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 1wk1 h PHE 45 CO -0.22 -0.38 -0.04 1.88 -2.23 0.00 0.00 178.31 177.32 1wk1 h TYR 46 N -0.07 0.25 -0.80 0.41 0.05 -1.21 -3.15 116.97 112.44 1wk1 h TYR 46 Ca 0.31 -0.06 0.27 0.00 0.05 0.00 0.00 58.73 59.30 1wk1 h TYR 46 Cb 0.58 -0.06 -0.15 0.00 1.01 0.00 0.00 36.73 38.11 1wk1 h TYR 46 CO -0.71 0.56 0.21 -1.13 -1.05 0.00 0.00 178.16 176.03 1wk1 n SER 47 N -4.73 0.08 0.12 3.88 3.41 0.36 0.85 113.62 117.59 1wk1 n SER 47 Ca -0.06 1.35 -0.05 0.00 -0.26 0.00 0.00 58.87 59.85 1wk1 n SER 47 Cb 0.26 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.62 1wk1 n SER 47 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1wk1 h SER 48 N 0.00 -0.27 0.02 4.04 0.02 -1.41 -2.65 113.55 113.30 1wk1 h SER 48 Ca 0.58 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1wk1 h SER 48 Cb 1.38 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1wk1 h SER 48 CO -0.69 -0.19 0.00 0.16 -1.14 0.00 0.00 176.83 174.97 1wk1 h ILE 49 N -0.31 0.00 -0.27 3.27 3.07 -1.02 -0.77 117.51 121.47 1wk1 h ILE 49 Ca -0.03 -0.01 -0.05 0.00 1.55 0.00 0.00 64.86 66.32 1wk1 h ILE 49 Cb 0.24 0.71 -0.03 0.00 -0.27 0.00 0.00 36.82 37.48 1wk1 h ILE 49 CO 0.05 0.00 0.06 0.00 -1.05 0.00 0.00 178.15 177.21 1wk1 n ALA 50 N -1.91 3.21 -1.54 0.16 0.00 0.25 -4.83 120.51 115.85 1wk1 n ALA 50 Ca -0.02 -0.85 -0.23 0.00 0.00 0.00 0.00 53.44 52.34 1wk1 n ALA 50 Cb 0.05 -1.08 -0.11 0.00 0.00 0.00 0.00 19.45 18.32 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 0.16 0.61 -2.74 0.00 0.00 -0.30 -0.68 120.51 117.57 1wk1 n ALA 51 Ca 0.14 -1.04 -0.14 0.00 0.00 0.00 0.00 53.44 52.40 1wk1 n ALA 51 Cb 0.71 -2.95 0.02 0.00 0.00 0.00 0.00 19.45 17.23 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 14.18 -4.41 -4.03 0.00 3.02 -1.24 -4.94 115.26 117.84 1wk1 n ASN 52 Ca 0.52 -0.18 -0.25 0.00 -0.03 0.00 0.00 54.58 54.64 1wk1 n ASN 52 Cb 0.34 -3.28 -0.17 0.00 -0.61 0.00 0.00 39.78 36.07 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 -2.94 1.16 -0.30 3.41 2.01 0.15 -4.63 115.64 114.50 1wk1 s THR 53 Ca 0.19 -0.49 -0.07 0.00 0.31 0.00 0.00 61.69 61.63 1wk1 s THR 53 Cb -0.08 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.38 1wk1 s THR 53 CO 0.24 0.36 0.09 -1.10 -0.69 0.00 0.00 174.62 173.52 1wk1 s GLN 54 N 0.69 3.05 0.25 4.92 -0.21 -1.26 -1.68 119.66 125.42 1wk1 s GLN 54 Ca -0.14 -0.89 0.06 0.00 0.02 0.00 0.00 55.36 54.41 1wk1 s GLN 54 Cb -0.16 -3.41 -0.05 0.00 1.00 0.00 0.00 33.01 30.39 1wk1 s GLN 54 CO 0.03 -0.47 -0.06 -0.59 -2.12 0.00 0.00 175.29 172.08 1wk1 s PHE 55 N 1.50 1.78 0.66 0.91 -0.71 -1.03 -3.97 117.98 117.13 1wk1 s PHE 55 Ca 0.02 -0.73 -0.11 0.00 -1.04 0.00 0.00 56.93 55.07 1wk1 s PHE 55 Cb -0.17 -0.98 -0.01 0.00 -1.21 0.00 0.00 43.02 40.64 1wk1 s PHE 55 CO 0.03 0.21 1.06 -1.58 -1.34 0.00 0.00 175.22 173.60 1wk1 s TRP 56 N -3.12 3.46 0.32 3.49 0.52 0.12 0.11 118.94 123.84 1wk1 s TRP 56 Ca 0.27 1.20 0.05 0.00 0.02 0.00 0.00 56.10 57.64 1wk1 s TRP 56 Cb 0.03 -2.88 -0.03 0.00 -1.15 0.00 0.00 33.47 29.44 1wk1 s TRP 56 CO 0.10 -0.94 0.21 0.96 0.02 0.00 0.00 176.95 177.29 1wk1 s ILE 57 N -3.24 0.16 0.43 2.03 -4.36 -1.20 -4.26 121.20 110.76 1wk1 s ILE 57 Ca 0.57 -2.00 0.21 0.00 -0.26 0.00 0.00 60.65 59.17 1wk1 s ILE 57 Cb -0.11 -2.48 0.24 0.00 1.25 0.00 0.00 42.46 41.36 1wk1 s ILE 57 CO 0.53 0.00 2.03 1.23 0.24 0.00 0.00 174.94 178.97 1wk1 h GLY 58 N 2.17 0.00 -5.50 6.27 0.00 -1.79 -3.43 103.07 100.80 1wk1 h GLY 58 Ca -0.30 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.49 1wk1 h GLY 58 CO 0.45 0.00 1.20 -2.27 0.00 0.00 0.00 176.54 175.92 1wk1 s LEU 59 N -7.89 4.28 -0.12 3.11 2.96 -1.26 -0.88 118.68 118.89 1wk1 s LEU 59 Ca -0.03 2.40 -0.10 0.00 -0.22 0.00 0.00 54.13 56.17 1wk1 s LEU 59 Cb 0.14 -3.53 0.03 0.00 0.50 0.00 0.00 46.19 43.34 1wk1 s LEU 59 CO 0.64 -1.10 0.32 0.72 -1.32 0.00 0.00 176.35 175.61 1wk1 s PHE 60 N 4.67 -0.37 0.19 5.38 -0.12 -0.93 -2.83 117.98 123.98 1wk1 s PHE 60 Ca 0.83 0.88 -0.30 0.00 -0.05 0.00 0.00 56.93 58.29 1wk1 s PHE 60 Cb -0.38 0.12 -0.08 0.00 -0.63 0.00 0.00 43.02 42.06 1wk1 s PHE 60 CO 0.36 -0.19 1.13 0.21 -0.05 0.00 0.00 175.22 176.69 1wk1 s LYS 61 N 0.34 4.57 0.74 1.99 2.20 -0.40 -1.30 119.74 127.87 1wk1 s LYS 61 Ca -0.01 1.78 -0.01 0.00 -0.36 0.00 0.00 55.97 57.37 1wk1 s LYS 61 Cb -0.03 -3.25 0.15 0.00 -1.51 0.00 0.00 37.83 33.18 1wk1 s LYS 61 CO -0.01 0.04 1.01 -1.71 -0.36 0.00 0.00 175.35 174.31 1wk1 n ASN 62 N 2.27 1.29 0.14 1.43 2.85 0.76 -4.83 115.26 119.17 1wk1 n ASN 62 Ca 0.03 -2.10 -0.13 0.00 -0.11 0.00 0.00 54.58 52.26 1wk1 n ASN 62 Cb 0.45 -0.66 -0.06 0.00 1.24 0.00 0.00 39.78 40.75 1wk1 n ASN 62 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1wk1 h SER 63 N -0.64 -0.52 -0.47 1.20 0.87 -1.97 -2.84 113.55 109.18 1wk1 h SER 63 Ca -0.33 0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.37 1wk1 h SER 63 Cb 1.21 0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 63.26 1wk1 h SER 63 CO 0.35 -0.29 -0.20 -2.24 -0.53 0.00 0.00 176.83 173.93 1wk1 h ASP 64 N -0.41 -0.68 0.00 6.23 3.04 -2.04 -3.45 116.42 119.11 1wk1 h ASP 64 Ca 0.00 0.17 0.00 0.00 -3.24 0.00 0.00 57.03 53.96 1wk1 h ASP 64 Cb 0.39 0.38 0.00 0.00 -1.04 0.00 0.00 39.33 39.07 1wk1 h ASP 64 CO -0.05 -0.23 0.00 0.61 -2.04 0.00 0.00 179.24 177.53 1wk1 n GLY 65 N -1.39 -0.64 3.92 7.15 0.00 -1.07 -5.15 105.19 108.01 1wk1 n GLY 65 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 2.78 -0.29 1.61 -0.21 -1.26 -4.73 119.66 117.56 1wk1 s GLN 66 Ca 0.00 -0.12 -0.08 0.00 0.02 0.00 0.00 55.36 55.17 1wk1 s GLN 66 Cb 0.00 -2.28 -0.01 0.00 1.00 0.00 0.00 33.01 31.71 1wk1 s GLN 66 CO 0.00 -0.77 0.12 -0.06 -2.12 0.00 0.00 175.29 172.45 1wk1 s PHE 67 N -3.00 3.14 0.56 0.91 0.08 -1.26 -0.17 117.98 118.25 1wk1 s PHE 67 Ca 0.55 -0.54 0.07 0.00 0.12 0.00 0.00 56.93 57.13 1wk1 s PHE 67 Cb -0.11 -2.30 0.07 0.00 -0.57 0.00 0.00 43.02 40.12 1wk1 s PHE 67 CO 0.44 -0.42 0.60 0.66 -0.10 0.00 0.00 175.22 176.40 1wk1 n TYR 68 N 4.95 -1.43 -4.06 0.36 4.02 -0.42 -0.67 117.16 119.91 1wk1 n TYR 68 Ca -0.15 -2.21 -0.32 0.00 -0.01 0.00 0.00 57.90 55.22 1wk1 n TYR 68 Cb 0.50 -0.50 -0.15 0.00 -0.02 0.00 0.00 39.34 39.17 1wk1 n TYR 68 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1wk1 s TRP 69 N -2.64 3.04 -0.26 -0.72 0.52 0.18 -2.19 118.94 116.87 1wk1 s TRP 69 Ca 0.45 -2.11 -0.30 0.00 0.02 0.00 0.00 56.10 54.16 1wk1 s TRP 69 Cb -0.04 -1.87 -0.07 0.00 -1.15 0.00 0.00 33.47 30.34 1wk1 s TRP 69 CO 0.29 -0.85 2.21 -3.47 0.02 0.00 0.00 176.95 175.15 1wk1 n ASP 70 N 4.50 2.89 -1.63 2.95 2.03 -0.06 -3.04 116.55 124.20 1wk1 n ASP 70 Ca -0.15 0.27 -0.14 0.00 0.52 0.00 0.00 54.79 55.29 1wk1 n ASP 70 Cb 0.44 -1.46 0.18 0.00 -0.72 0.00 0.00 41.12 39.56 1wk1 n ASP 70 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wk1 n ARG 71 N 8.57 2.08 0.00 -0.67 5.12 -1.26 -4.63 116.66 125.87 1wk1 n ARG 71 Ca 0.34 -3.17 0.00 0.00 -1.93 0.00 0.00 57.85 53.08 1wk1 n ARG 71 Cb 0.38 -1.98 0.00 0.00 -1.16 0.00 0.00 32.46 29.69 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 -1.11 -1.56 3.65 -0.13 0.00 -1.26 -4.64 105.19 100.14 1wk1 n GLY 72 Ca 0.45 -2.22 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1wk1 n GLY 72 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wk1 s GLN 73 N -0.85 4.20 0.00 1.61 0.74 -1.26 -3.93 119.66 120.17 1wk1 s GLN 73 Ca 0.00 1.02 0.00 0.00 0.05 0.00 0.00 55.36 56.43 1wk1 s GLN 73 Cb 0.00 -3.64 0.00 0.00 1.10 0.00 0.00 33.01 30.47 1wk1 s GLN 73 CO 0.00 -0.52 0.00 0.41 -0.55 0.00 0.00 175.29 174.63 1wk1 n GLY 74 N 3.66 1.94 3.58 2.59 0.00 -1.26 -4.99 105.19 110.71 1wk1 n GLY 74 Ca 0.07 -0.28 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 1wk1 n GLY 74 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wk1 n ILE 75 N 0.00 2.01 -1.69 -0.61 2.08 -1.25 -4.82 119.36 115.07 1wk1 n ILE 75 Ca 0.00 -0.50 -0.42 0.00 0.56 0.00 0.00 62.75 62.39 1wk1 n ILE 75 Cb 0.00 -0.97 -0.03 0.00 -0.75 0.00 0.00 39.64 37.89 1wk1 n ILE 75 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1wk1 s ASN 76 N -0.58 6.43 0.33 4.38 0.01 -1.26 -4.70 114.94 119.55 1wk1 s ASN 76 Ca 0.59 2.72 -0.28 0.00 -0.71 0.00 0.00 52.86 55.17 1wk1 s ASN 76 Cb -0.70 -2.55 -0.10 0.00 0.41 0.00 0.00 41.25 38.31 1wk1 s ASN 76 CO 0.60 -1.03 1.22 -2.16 -1.51 0.00 0.00 177.10 174.21 1wk1 s PRO 77 N 3.66 4.39 -0.20 -0.60 0.04 -1.26 -4.73 135.00 136.30 1wk1 s PRO 77 Ca 0.85 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 63.76 1wk1 s PRO 77 Cb -0.44 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 1wk1 s PRO 77 CO 0.39 -0.09 0.40 -0.51 0.04 0.00 0.00 177.00 177.23 1wk1 s ASP 78 N -0.72 6.45 0.20 6.66 1.11 -1.17 -4.82 116.67 124.38 1wk1 s ASP 78 Ca 0.49 0.53 -0.30 0.00 0.18 0.00 0.00 52.55 53.44 1wk1 s ASP 78 Cb -0.36 -2.23 -0.09 0.00 1.07 0.00 0.00 42.92 41.31 1wk1 s ASP 78 CO 0.47 -0.07 1.30 -0.22 1.18 0.00 0.00 175.17 177.83 1wk1 s LEU 79 N 1.26 4.42 -0.76 1.23 1.98 -1.26 0.47 118.68 126.02 1wk1 s LEU 79 Ca 0.19 2.40 -0.26 0.00 -2.89 0.00 0.00 54.13 53.58 1wk1 s LEU 79 Cb -0.15 -3.61 -0.03 0.00 0.66 0.00 0.00 46.19 43.06 1wk1 s LEU 79 CO 0.08 -0.52 1.89 -0.22 -1.89 0.00 0.00 176.35 175.69 1wk1 s LEU 80 N -0.18 3.23 -0.34 -0.68 2.96 0.15 -4.77 118.68 119.06 1wk1 s LEU 80 Ca 0.56 -0.18 0.10 0.00 -0.22 0.00 0.00 54.13 54.39 1wk1 s LEU 80 Cb -0.36 -2.54 0.45 0.00 0.50 0.00 0.00 46.19 44.24 1wk1 s LEU 80 CO 0.39 -2.53 1.13 -3.20 -1.32 0.00 0.00 176.35 170.81 1wk1 n ASN 81 N 13.24 4.00 -4.90 3.68 5.15 -1.26 -4.92 115.26 130.25 1wk1 n ASN 81 Ca 0.30 -3.38 -0.34 0.00 -0.60 0.00 0.00 54.58 50.56 1wk1 n ASN 81 Cb 0.50 -0.42 -0.05 0.00 -0.53 0.00 0.00 39.78 39.28 1wk1 n ASN 81 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1wk1 s GLN 82 N -3.56 3.45 0.25 1.20 -2.07 -1.26 -5.01 119.66 112.66 1wk1 s GLN 82 Ca 0.44 -0.28 0.03 0.00 -1.82 0.00 0.00 55.36 53.73 1wk1 s GLN 82 Cb 0.40 -3.11 0.31 0.00 -1.09 0.00 0.00 33.01 29.52 1wk1 s GLN 82 CO -0.04 0.69 1.63 -1.00 -1.32 0.00 0.00 175.29 175.24 1wk1 h PRO 83 N 4.01 0.38 -5.62 9.60 0.13 -2.04 -3.43 132.00 135.04 1wk1 h PRO 83 Ca -0.50 -0.20 -0.61 0.00 -0.87 0.00 0.00 66.00 63.83 1wk1 h PRO 83 Cb 1.19 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 1wk1 h PRO 83 CO 0.67 0.75 -0.32 0.42 -0.23 0.00 0.00 178.00 179.29 1wk1 s ILE 84 N -4.11 5.28 0.15 -3.56 1.01 -1.26 -5.09 121.20 113.63 1wk1 s ILE 84 Ca -0.06 0.56 0.00 0.00 0.00 0.00 0.00 60.65 61.15 1wk1 s ILE 84 Cb 0.13 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1wk1 s ILE 84 CO 0.80 0.46 0.04 0.42 0.00 0.00 0.00 174.94 176.66 1wk1 s THR 85 N -0.06 0.32 -0.11 2.92 -4.23 -1.26 -4.95 115.64 108.26 1wk1 s THR 85 Ca 0.18 -1.94 0.16 0.00 -1.18 0.00 0.00 61.69 58.91 1wk1 s THR 85 Cb -0.14 -2.09 0.24 0.00 1.34 0.00 0.00 72.50 71.85 1wk1 s THR 85 CO 0.06 -0.45 1.12 -1.22 -0.54 0.00 0.00 174.62 173.59 1wk1 n TYR 86 N -0.16 0.00 -1.66 3.99 4.01 -1.26 -4.99 117.16 117.09 1wk1 n TYR 86 Ca -0.06 -0.86 -0.52 0.00 -0.16 0.00 0.00 57.90 56.30 1wk1 n TYR 86 Cb 0.64 -0.13 -0.06 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.23 1.92 -0.51 -0.72 5.03 -1.25 -2.23 117.44 118.46 1wk1 n TRP 87 Ca 0.13 0.46 -0.28 0.00 3.03 0.00 0.00 57.50 60.84 1wk1 n TRP 87 Cb 0.63 -2.45 0.26 0.00 -1.03 0.00 0.00 31.31 28.72 1wk1 n TRP 87 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1wk1 s ALA 88 N 2.08 -0.65 -0.42 6.99 0.00 -0.46 -4.60 121.76 124.70 1wk1 s ALA 88 Ca 0.89 -0.28 -0.28 0.00 0.00 0.00 0.00 51.96 52.29 1wk1 s ALA 88 Cb -0.92 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 18.94 1wk1 s ALA 88 CO 0.53 -4.06 2.35 0.09 0.00 0.00 0.00 175.76 174.66 1wk1 n ASN 89 N -5.10 2.44 0.00 0.00 3.02 -1.26 -0.01 115.26 114.35 1wk1 n ASN 89 Ca 0.04 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1wk1 n ASN 89 Cb 0.55 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.24 1wk1 n ASN 89 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wk1 n GLY 90 N 6.06 0.88 3.83 7.41 0.00 -1.26 -5.08 105.19 117.03 1wk1 n GLY 90 Ca 0.38 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.70 3.02 0.57 1.61 0.41 0.99 -3.85 118.70 120.76 1wk1 s GLU 91 Ca 0.00 -0.79 -0.18 0.00 -0.41 0.00 0.00 54.97 53.59 1wk1 s GLU 91 Cb 0.00 -2.73 -0.04 0.00 -1.78 0.00 0.00 34.13 29.58 1wk1 s GLU 91 CO 0.00 0.50 1.12 -1.25 -0.49 0.00 0.00 175.26 175.15 1wk1 s PRO 92 N -3.04 3.21 0.60 0.39 0.04 -1.26 -4.65 135.00 130.30 1wk1 s PRO 92 Ca 0.32 1.55 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 1wk1 s PRO 92 Cb -0.11 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1wk1 s PRO 92 CO 0.24 -0.95 1.16 0.45 0.04 0.00 0.00 177.00 177.94 1wk1 s SER 93 N -1.99 5.25 -0.63 6.66 0.15 -1.25 -4.94 113.70 116.95 1wk1 s SER 93 Ca 0.71 2.24 -0.01 0.00 0.70 0.00 0.00 55.95 59.59 1wk1 s SER 93 Cb -0.23 -2.58 0.48 0.00 -1.71 0.00 0.00 66.02 61.98 1wk1 s SER 93 CO 0.31 -1.54 2.02 -3.20 1.20 0.00 0.00 173.24 172.03 1wk1 n ASN 94 N -1.77 7.07 -4.66 5.45 2.85 -1.26 -4.95 115.26 118.00 1wk1 n ASN 94 Ca 0.12 -3.76 -0.35 0.00 -0.11 0.00 0.00 54.58 50.49 1wk1 n ASN 94 Cb 0.51 -0.96 -0.10 0.00 1.24 0.00 0.00 39.78 40.47 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 -1.73 5.47 0.46 1.20 1.01 -1.26 -5.00 116.67 116.82 1wk1 s ASP 95 Ca 0.63 0.11 0.25 0.00 0.71 0.00 0.00 52.55 54.25 1wk1 s ASP 95 Cb 0.50 -1.80 1.05 0.00 1.01 0.00 0.00 42.92 43.68 1wk1 s ASP 95 CO 0.01 0.26 1.89 1.55 0.21 0.00 0.00 175.17 179.09 1wk1 h PRO 96 N 6.02 0.00 -0.00 8.23 0.13 -2.05 -2.88 132.00 141.45 1wk1 h PRO 96 Ca -0.42 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.56 1wk1 h PRO 96 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1wk1 h PRO 96 CO 0.63 0.21 -0.67 1.79 -0.23 0.00 0.00 178.00 179.72 1wk1 h THR 97 N 0.00 1.48 -3.77 1.56 1.35 -1.99 -3.42 112.91 108.12 1wk1 h THR 97 Ca -0.00 -2.31 -0.65 0.00 -0.55 0.00 0.00 66.41 62.90 1wk1 h THR 97 Cb 0.65 2.25 -0.20 0.00 -1.73 0.00 0.00 68.15 69.12 1wk1 h THR 97 CO 0.03 0.66 -0.55 -0.13 -0.25 0.00 0.00 175.52 175.27 1wk1 s ARG 98 N -3.48 3.75 0.00 4.72 0.52 -1.09 -3.80 118.95 119.57 1wk1 s ARG 98 Ca -0.01 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 1wk1 s ARG 98 Cb 0.12 -3.55 0.00 0.00 0.52 0.00 0.00 34.95 32.04 1wk1 s ARG 98 CO 0.77 -0.23 0.00 1.04 0.02 0.00 0.00 175.30 176.90 1wk1 n GLN 99 N 5.01 1.64 -3.10 3.54 6.02 -1.22 -4.66 117.38 124.62 1wk1 n GLN 99 Ca -0.15 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.55 1wk1 n GLN 99 Cb 0.51 -0.82 -0.03 0.00 1.02 0.00 0.00 30.24 30.92 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 -2.23 3.31 -0.03 0.00 1.01 -1.13 -0.46 120.40 120.86 1wk1 s VAL 101 Ca 0.47 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1wk1 s VAL 101 Cb -0.10 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.87 1wk1 s VAL 101 CO 0.31 0.40 -0.08 -0.72 0.00 0.00 0.00 175.10 175.01 1wk1 s TYR 102 N -0.94 0.91 -0.29 5.22 -0.85 -0.02 -3.27 117.35 118.11 1wk1 s TYR 102 Ca 0.16 -0.25 -0.28 0.00 -0.52 0.00 0.00 57.07 56.18 1wk1 s TYR 102 Cb -0.11 -0.69 -0.05 0.00 0.38 0.00 0.00 41.96 41.49 1wk1 s TYR 102 CO 0.06 -0.14 2.21 0.12 -1.52 0.00 0.00 175.55 176.29 1wk1 s PHE 103 N 0.43 1.21 -0.81 -3.49 2.19 0.30 -3.23 117.98 114.58 1wk1 s PHE 103 Ca -0.07 0.75 -0.26 0.00 0.33 0.00 0.00 56.93 57.68 1wk1 s PHE 103 Cb -0.11 -3.88 0.04 0.00 -1.31 0.00 0.00 43.02 37.76 1wk1 s PHE 103 CO 0.01 -3.67 1.31 0.34 1.83 0.00 0.00 175.22 175.04 1wk1 s ASP 104 N 8.85 6.25 0.12 6.13 -1.08 0.69 -2.45 116.67 135.18 1wk1 s ASP 104 Ca 0.98 -0.75 -0.09 0.00 -0.52 0.00 0.00 52.55 52.16 1wk1 s ASP 104 Cb -0.29 -2.56 -0.10 0.00 -1.46 0.00 0.00 42.92 38.52 1wk1 s ASP 104 CO 0.33 -1.73 1.33 1.23 0.52 0.00 0.00 175.17 176.85 1wk1 h GLY 105 N 12.87 0.74 1.11 2.66 0.00 -1.51 -3.19 103.07 115.76 1wk1 h GLY 105 Ca -0.15 -1.07 0.06 0.00 0.00 0.00 0.00 47.33 46.17 1wk1 h GLY 105 CO 1.31 0.96 0.44 3.21 0.00 0.00 0.00 176.54 182.46 1wk1 h ARG 106 N 0.45 0.68 -5.39 4.80 3.08 -1.75 -3.31 114.38 112.94 1wk1 h ARG 106 Ca -0.05 -0.04 -0.54 0.00 0.07 0.00 0.00 59.98 59.41 1wk1 h ARG 106 Cb 1.41 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 31.25 1wk1 h ARG 106 CO 0.15 0.45 1.64 0.45 -1.07 0.00 0.00 179.97 181.59 1wk1 n SER 107 N -4.48 1.09 -0.11 7.04 2.88 -1.21 -4.70 113.62 114.13 1wk1 n SER 107 Ca 0.10 0.09 0.24 0.00 -1.33 0.00 0.00 58.87 57.97 1wk1 n SER 107 Cb 0.22 -1.13 0.42 0.00 -0.75 0.00 0.00 64.21 62.98 1wk1 n SER 107 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1wk1 h GLY 108 N 13.61 0.00 -4.87 0.46 0.00 -1.91 -3.38 103.07 106.98 1wk1 h GLY 108 Ca -0.13 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.55 1wk1 h GLY 108 CO 1.25 0.00 -0.58 -0.35 0.00 0.00 0.00 176.54 176.86 1wk1 s ASP 109 N -3.60 5.67 0.05 0.19 2.15 -1.26 -5.01 116.67 114.86 1wk1 s ASP 109 Ca -0.02 0.10 0.18 0.00 0.43 0.00 0.00 52.55 53.23 1wk1 s ASP 109 Cb 0.13 -1.60 -0.14 0.00 -0.30 0.00 0.00 42.92 41.00 1wk1 s ASP 109 CO 0.42 0.23 0.78 2.29 -0.17 0.00 0.00 175.17 178.72 1wk1 n LYS 110 N 0.86 0.63 0.06 4.34 2.85 -1.26 -3.87 118.16 121.76 1wk1 n LYS 110 Ca -0.11 0.18 0.13 0.00 -1.05 0.00 0.00 58.31 57.45 1wk1 n LYS 110 Cb 0.52 -1.78 0.49 0.00 -0.65 0.00 0.00 35.03 33.61 1wk1 n LYS 110 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1wk1 n SER 111 N -2.82 0.39 -2.03 -5.58 3.41 -1.26 -3.32 113.62 102.40 1wk1 n SER 111 Ca -0.10 0.55 -0.19 0.00 -0.26 0.00 0.00 58.87 58.87 1wk1 n SER 111 Cb 0.82 -0.65 0.03 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.88 3.26 0.05 4.33 5.02 -1.23 -3.78 118.16 123.93 1wk1 n LYS 112 Ca 0.05 -4.03 -0.00 0.00 -2.02 0.00 0.00 58.31 52.31 1wk1 n LYS 112 Cb 0.34 -2.15 -0.07 0.00 -0.02 0.00 0.00 35.03 33.14 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 2.54 0.62 -1.94 -0.18 -1.51 -1.53 -3.39 116.25 110.86 1wk1 h VAL 113 Ca 0.29 -2.11 -0.50 0.00 -1.23 0.00 0.00 66.70 63.15 1wk1 h VAL 113 Cb 1.48 2.14 -0.02 0.00 -2.13 0.00 0.00 31.29 32.76 1wk1 h VAL 113 CO 0.64 0.35 1.41 0.26 -1.23 0.00 0.00 177.57 179.01 1wk1 s TRP 114 N -2.91 1.54 -0.06 5.19 0.52 -0.94 -0.22 118.94 122.06 1wk1 s TRP 114 Ca -0.02 0.94 0.04 0.00 0.02 0.00 0.00 56.10 57.08 1wk1 s TRP 114 Cb 0.08 -3.99 0.00 0.00 -1.15 0.00 0.00 33.47 28.42 1wk1 s TRP 114 CO 0.80 -2.40 -0.18 0.99 0.02 0.00 0.00 176.95 176.19 1wk1 s THR 115 N 9.61 1.50 0.52 2.01 2.01 -1.20 -1.35 115.64 128.73 1wk1 s THR 115 Ca 0.74 -0.73 -0.09 0.00 0.31 0.00 0.00 61.69 61.92 1wk1 s THR 115 Cb -0.14 -1.30 -0.05 0.00 0.01 0.00 0.00 72.50 71.02 1wk1 s THR 115 CO 0.22 0.43 0.88 0.42 -0.69 0.00 0.00 174.62 175.89 1wk1 s THR 116 N 0.20 4.79 -0.12 -0.82 -4.23 -1.26 -0.84 115.64 113.35 1wk1 s THR 116 Ca -0.08 0.59 -0.33 0.00 -1.18 0.00 0.00 61.69 60.69 1wk1 s THR 116 Cb -0.13 -3.83 0.12 0.00 1.34 0.00 0.00 72.50 70.00 1wk1 s THR 116 CO 0.04 -0.88 1.08 -0.62 -0.54 0.00 0.00 174.62 173.70 1wk1 s ASP 117 N -3.88 -0.23 0.48 3.99 -1.08 0.39 -4.89 116.67 111.45 1wk1 s ASP 117 Ca 0.52 0.00 -0.23 0.00 -0.52 0.00 0.00 52.55 52.32 1wk1 s ASP 117 Cb -0.10 0.24 -0.09 0.00 -1.46 0.00 0.00 42.92 41.51 1wk1 s ASP 117 CO 0.44 -0.39 1.01 1.07 0.52 0.00 0.00 175.17 177.83 1wk1 n THR 118 N -0.15 2.78 0.18 1.71 5.66 -1.25 -2.84 114.28 120.38 1wk1 n THR 118 Ca -0.03 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.39 1wk1 n THR 118 Cb 0.60 -1.19 0.08 0.00 -1.55 0.00 0.00 70.33 68.27 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 -0.07 1.63 -2.36 0.00 0.00 -1.26 -3.60 120.51 114.85 1wk1 n ALA 120 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 1wk1 n ALA 120 Cb 0.90 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.32 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 -1.05 4.02 -0.42 0.00 2.01 -1.22 -4.68 115.64 114.30 1wk1 s THR 121 Ca 0.00 1.37 -0.28 0.00 0.31 0.00 0.00 61.69 63.09 1wk1 s THR 121 Cb 0.00 -3.88 -0.01 0.00 0.01 0.00 0.00 72.50 68.62 1wk1 s THR 121 CO 0.00 -0.00 1.74 -2.16 -0.69 0.00 0.00 174.62 173.51 1wk1 s PRO 122 N 2.31 3.20 0.05 4.92 0.04 -1.26 -4.13 135.00 140.13 1wk1 s PRO 122 Ca 0.59 1.13 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 1wk1 s PRO 122 Cb -0.28 -4.21 -0.03 0.00 0.04 0.00 0.00 34.50 30.02 1wk1 s PRO 122 CO 0.24 -2.02 -0.02 1.03 0.04 0.00 0.00 177.00 176.27 1wk1 s ARG 123 N 5.87 0.58 0.86 4.56 0.52 -1.00 -4.58 118.95 125.76 1wk1 s ARG 123 Ca 0.73 -1.10 -0.11 0.00 -0.52 0.00 0.00 55.73 54.73 1wk1 s ARG 123 Cb -0.18 0.20 0.11 0.00 0.52 0.00 0.00 34.95 35.60 1wk1 s ARG 123 CO 0.30 -0.11 1.09 -1.25 0.02 0.00 0.00 175.30 175.35 1wk1 s PRO 124 N -3.51 1.52 0.32 3.54 0.04 -1.25 -1.29 135.00 134.36 1wk1 s PRO 124 Ca 0.03 0.91 -0.00 0.00 0.04 0.00 0.00 61.00 61.98 1wk1 s PRO 124 Cb 0.05 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1wk1 s PRO 124 CO -0.09 -2.09 0.42 1.97 0.04 0.00 0.00 177.00 177.25 1wk1 n PHE 125 N -3.79 -1.26 -3.76 0.56 -1.74 -1.26 0.15 117.46 106.36 1wk1 n PHE 125 Ca 0.08 -2.21 -0.23 0.00 -0.56 0.00 0.00 57.45 54.53 1wk1 n PHE 125 Cb 0.55 0.47 -0.18 0.00 1.52 0.00 0.00 39.48 41.84 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 -2.85 0.34 0.10 1.97 1.01 -1.26 -2.34 121.20 118.17 1wk1 s ILE 126 Ca 0.28 0.14 -0.14 0.00 0.00 0.00 0.00 60.65 60.92 1wk1 s ILE 126 Cb -0.00 -0.51 -0.07 0.00 0.01 0.00 0.00 42.46 41.89 1wk1 s ILE 126 CO 0.20 0.24 0.51 0.00 0.00 0.00 0.00 174.94 175.89 1wk1 s GLN 128 N -1.69 1.14 0.00 0.00 0.74 0.19 -0.81 119.66 119.23 1wk1 s GLN 128 Ca 0.34 -0.31 0.24 0.00 0.05 0.00 0.00 55.36 55.68 1wk1 s GLN 128 Cb -0.16 -1.03 0.38 0.00 1.10 0.00 0.00 33.01 33.30 1wk1 s GLN 128 CO 0.18 0.07 1.32 0.36 -0.55 0.00 0.00 175.29 176.67 1wk1 n LYS 129 N 3.53 0.34 -3.40 1.67 2.85 -1.26 -1.08 118.16 120.81 1wk1 n LYS 129 Ca -0.21 -0.23 -0.19 0.00 -1.05 0.00 0.00 58.31 56.63 1wk1 n LYS 129 Cb 0.53 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.49 1wk1 n LYS 129 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1wk1 n HIS 130 N -1.13 -2.36 -4.49 5.58 -0.00 -1.26 -2.55 115.22 109.01 1wk1 n HIS 130 Ca 0.07 0.87 -0.40 0.00 -0.00 0.00 0.00 57.72 58.26 1wk1 n HIS 130 Cb 0.35 -4.55 -0.08 0.00 -0.00 0.00 0.00 29.99 25.71 1wk1 n HIS 130 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1wk1 n ARG 131 N -4.24 -0.83 -4.23 1.57 5.12 -1.26 -4.90 116.66 107.88 1wk1 n ARG 131 Ca -0.05 0.13 -0.22 0.00 -1.93 0.00 0.00 57.85 55.78 1wk1 n ARG 131 Cb 0.58 -4.46 -0.17 0.00 -1.16 0.00 0.00 32.46 27.25 1wk1 n ARG 131 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1wk1 s TYR 132 N -3.52 1.05 -0.05 -1.55 5.04 -1.06 -5.12 117.35 112.15 1wk1 s TYR 132 Ca 0.64 -0.37 -0.30 0.00 -2.44 0.00 0.00 57.07 54.60 1wk1 s TYR 132 Cb -0.37 -0.87 -0.04 0.00 0.35 0.00 0.00 41.96 41.03 1wk1 s TYR 132 CO 1.02 -0.27 1.24 0.16 -1.34 0.00 0.00 175.55 176.36 1wk1 s ASP 133 N 1.02 7.01 -0.08 4.32 -4.77 -1.26 -4.89 116.67 118.01 1wk1 s ASP 133 Ca -0.09 1.87 -0.03 0.00 -3.30 0.00 0.00 52.55 51.00 1wk1 s ASP 133 Cb -0.14 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.09 1wk1 s ASP 133 CO -0.00 -0.62 -0.09 -1.54 0.70 0.00 0.00 175.17 173.62 1wk1 n SER 134 N 5.27 1.26 -4.57 2.11 3.41 -1.26 -4.88 113.62 114.96 1wk1 n SER 134 Ca 0.11 0.06 -0.31 0.00 -0.26 0.00 0.00 58.87 58.47 1wk1 n SER 134 Cb 0.46 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.16 1wk1 n SER 134 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1wk1 s ASP 135 N -5.46 5.53 0.30 4.04 1.47 -1.26 -4.82 116.67 116.46 1wk1 s ASP 135 Ca -0.11 -1.24 -0.02 0.00 1.18 0.00 0.00 52.55 52.36 1wk1 s ASP 135 Cb 0.04 -2.57 0.64 0.00 -0.34 0.00 0.00 42.92 40.68 1wk1 s ASP 135 CO 0.15 -2.45 1.57 -0.74 0.68 0.00 0.00 175.17 174.37 1wk1 h HIS 136 N 10.26 -0.24 -3.79 2.11 -0.00 -2.03 -3.39 115.15 118.08 1wk1 h HIS 136 Ca 0.18 0.08 -0.63 0.00 -0.00 0.00 0.00 60.37 60.00 1wk1 h HIS 136 Cb 0.98 0.26 -0.21 0.00 -0.00 0.00 0.00 27.41 28.44 1wk1 h HIS 136 CO 1.25 -0.43 -0.84 0.15 -0.00 0.00 0.00 177.93 178.05 1wk1 s LYS 137 N -6.11 1.32 -0.34 5.26 -0.14 -1.26 -5.09 119.74 113.38 1wk1 s LYS 137 Ca -0.14 -1.32 -0.29 0.00 -1.36 0.00 0.00 55.97 52.87 1wk1 s LYS 137 Cb 0.28 -1.69 -0.01 0.00 -1.68 0.00 0.00 37.83 34.73 1wk1 s LYS 137 CO 0.78 0.39 1.70 -1.25 -0.76 0.00 0.00 175.35 176.21 1wk1 s PRO 138 N -2.14 3.42 0.12 -1.68 0.04 -1.26 -4.91 135.00 128.60 1wk1 s PRO 138 Ca 0.13 1.33 -0.26 0.00 0.04 0.00 0.00 61.00 62.23 1wk1 s PRO 138 Cb -0.09 -4.15 -0.06 0.00 0.04 0.00 0.00 34.50 30.24 1wk1 s PRO 138 CO 0.06 -1.76 1.63 -0.91 0.04 0.00 0.00 177.00 176.06 1wk1 h ASN 139 N 12.24 -0.82 -5.43 6.66 2.35 -1.98 -3.45 115.58 125.14 1wk1 h ASN 139 Ca -0.32 0.11 -0.17 0.00 -0.55 0.00 0.00 56.30 55.36 1wk1 h ASN 139 Cb 1.15 0.33 -0.14 0.00 0.05 0.00 0.00 38.32 39.71 1wk1 h ASN 139 CO 1.04 -0.35 -0.53 0.42 -1.65 0.00 0.00 177.43 176.36 1wk1 s THR 140 N -6.04 0.06 0.18 2.81 -4.23 -1.26 -5.16 115.64 101.99 1wk1 s THR 140 Ca -0.15 -1.79 -0.19 0.00 -1.18 0.00 0.00 61.69 58.38 1wk1 s THR 140 Cb 0.09 -2.15 -0.08 0.00 1.34 0.00 0.00 72.50 71.70 1wk1 s THR 140 CO 0.65 -0.25 0.66 -0.51 -0.54 0.00 0.00 174.62 174.63 1wk1 s ILE 141 N -4.06 4.65 -0.38 2.99 1.10 -1.26 -4.98 121.20 119.25 1wk1 s ILE 141 Ca 0.27 1.19 0.04 0.00 -0.51 0.00 0.00 60.65 61.63 1wk1 s ILE 141 Cb 0.06 -3.85 0.18 0.00 0.15 0.00 0.00 42.46 39.00 1wk1 s ILE 141 CO 0.05 0.29 0.73 -0.83 -2.11 0.00 0.00 174.94 173.07 1wk1 s GLY 142 N -1.55 -1.33 -1.06 1.50 0.00 -1.26 -5.08 107.32 98.55 1wk1 s GLY 142 Ca 0.39 0.52 -0.23 0.00 0.00 0.00 0.00 44.72 45.40 1wk1 s GLY 142 CO 0.21 3.82 1.86 0.99 0.00 0.00 0.00 173.10 179.98 1wk1 s ASP 143 N 1.93 5.44 -0.13 1.64 1.01 -1.26 -4.87 116.67 120.44 1wk1 s ASP 143 Ca 0.16 -1.30 -0.05 0.00 0.71 0.00 0.00 52.55 52.06 1wk1 s ASP 143 Cb -0.03 -2.57 0.06 0.00 1.01 0.00 0.00 42.92 41.39 1wk1 s ASP 143 CO -0.10 -2.56 0.26 0.00 0.21 0.00 0.00 175.17 172.99 1wk1 s ALA 144 N 9.20 -0.57 0.28 5.23 0.00 -1.26 -5.08 121.76 129.56 1wk1 s ALA 144 Ca 0.65 0.96 0.03 0.00 0.00 0.00 0.00 51.96 53.60 1wk1 s ALA 144 Cb -0.03 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1wk1 s ALA 144 CO 0.04 -0.55 0.23 -1.54 0.00 0.00 0.00 175.76 173.95 1wk1 s SER 145 N 2.17 0.97 0.18 0.00 1.04 -1.26 -4.35 113.70 112.45 1wk1 s SER 145 Ca -0.01 -1.57 -0.20 0.00 0.48 0.00 0.00 55.95 54.65 1wk1 s SER 145 Cb -0.12 0.49 0.04 0.00 0.10 0.00 0.00 66.02 66.54 1wk1 s SER 145 CO -0.09 -0.99 0.55 -0.83 0.98 0.00 0.00 173.24 172.86 1wk1 s GLY 146 N -3.27 -0.31 -0.65 7.32 0.00 -1.26 -5.10 107.32 104.05 1wk1 s GLY 146 Ca 0.39 0.05 -0.26 0.00 0.00 0.00 0.00 44.72 44.90 1wk1 s GLY 146 CO 0.20 -0.10 1.87 2.56 0.00 0.00 0.00 173.10 177.63 1wk1 s PRO 147 N -3.82 2.61 0.12 2.90 0.04 -1.26 -4.91 135.00 130.68 1wk1 s PRO 147 Ca 0.05 0.50 -0.21 0.00 0.04 0.00 0.00 61.00 61.38 1wk1 s PRO 147 Cb -0.01 -4.47 0.06 0.00 0.04 0.00 0.00 34.50 30.12 1wk1 s PRO 147 CO -0.07 -2.81 0.53 -1.54 0.04 0.00 0.00 177.00 173.15 1wk1 s SER 148 N 8.11 -0.45 -0.06 6.66 1.04 -1.26 -5.17 113.70 122.57 1wk1 s SER 148 Ca 0.68 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 57.10 1wk1 s SER 148 Cb -0.12 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.56 1wk1 s SER 148 CO 0.18 -0.87 -0.07 -0.94 0.98 0.00 0.00 173.24 172.52 1wk1 s SER 149 N -2.52 1.31 0.00 7.02 1.04 -1.26 -5.27 113.70 114.02 1wk1 s SER 149 Ca -0.00 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1wk1 s SER 149 Cb -0.00 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.52 1wk1 s SER 149 CO -0.09 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.71