#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 5.61 -0.03 1.61 1.04 -1.26 -5.01 113.70 115.67 1wk1 s SER 2 Ca 0.00 0.05 -0.25 0.00 0.48 0.00 0.00 55.95 56.23 1wk1 s SER 2 Cb 0.00 -1.97 -0.21 0.00 0.10 0.00 0.00 66.02 63.94 1wk1 s SER 2 CO 0.00 0.14 1.18 -1.28 0.98 0.00 0.00 173.24 174.26 1wk1 h SER 3 N 6.94 0.10 0.00 7.02 0.87 -2.09 -3.47 113.55 122.92 1wk1 h SER 3 Ca -0.37 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.59 1wk1 h SER 3 Cb 1.17 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1wk1 h SER 3 CO 0.68 0.67 0.00 0.61 -0.53 0.00 0.00 176.83 178.27 1wk1 n GLY 4 N 0.52 -0.81 3.43 5.77 0.00 -1.26 -5.09 105.19 107.75 1wk1 n GLY 4 Ca -0.08 0.69 -0.44 0.00 0.00 0.00 0.00 46.02 46.18 1wk1 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wk1 s SER 5 N 0.00 6.73 0.25 1.61 0.01 -1.26 -4.95 113.70 116.08 1wk1 s SER 5 Ca 0.00 -2.32 -0.22 0.00 1.31 0.00 0.00 55.95 54.72 1wk1 s SER 5 Cb 0.00 -2.36 0.03 0.00 0.21 0.00 0.00 66.02 63.90 1wk1 s SER 5 CO 0.00 -0.91 0.77 -0.44 0.41 0.00 0.00 173.24 173.07 1wk1 s SER 6 N 3.19 -0.25 0.00 2.44 0.01 -1.26 -5.15 113.70 112.68 1wk1 s SER 6 Ca 0.31 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1wk1 s SER 6 Cb -0.06 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.84 1wk1 s SER 6 CO -0.08 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 172.95 1wk1 n GLY 7 N -0.46 1.97 3.67 3.44 0.00 -1.26 -5.08 105.19 107.47 1wk1 n GLY 7 Ca -0.05 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 1.01 2.94 0.71 1.61 0.11 -1.26 -4.95 120.40 120.58 1wk1 s VAL 8 Ca 0.00 0.08 -0.15 0.00 -2.93 0.00 0.00 61.98 58.98 1wk1 s VAL 8 Cb 0.00 -3.05 0.03 0.00 -1.53 0.00 0.00 36.38 31.82 1wk1 s VAL 8 CO 0.00 -0.01 1.21 -0.54 -3.33 0.00 0.00 175.10 172.44 1wk1 s LYS 9 N 3.98 2.25 0.34 1.54 1.02 -1.26 -5.03 119.74 122.58 1wk1 s LYS 9 Ca 0.85 1.78 0.07 0.00 0.02 0.00 0.00 55.97 58.69 1wk1 s LYS 9 Cb -0.43 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.02 1wk1 s LYS 9 CO 0.39 -1.76 0.37 -0.06 -0.92 0.00 0.00 175.35 173.38 1wk1 s PHE 10 N -1.92 2.97 -0.87 3.18 0.08 -1.26 -4.48 117.98 115.67 1wk1 s PHE 10 Ca 0.75 -0.28 -0.11 0.00 0.12 0.00 0.00 56.93 57.40 1wk1 s PHE 10 Cb -0.30 -1.91 0.11 0.00 -0.57 0.00 0.00 43.02 40.35 1wk1 s PHE 10 CO 0.44 0.07 0.28 1.28 -0.10 0.00 0.00 175.22 177.19 1wk1 n LEU 11 N -1.50 -0.38 -3.98 -0.37 4.77 -0.18 -4.87 117.00 110.49 1wk1 n LEU 11 Ca -0.01 -0.32 -0.15 0.00 -0.03 0.00 0.00 56.01 55.50 1wk1 n LEU 11 Cb 0.59 -1.24 -0.14 0.00 -2.33 0.00 0.00 43.42 40.31 1wk1 n LEU 11 CO 0.42 0.05 -0.40 0.42 -1.33 0.00 0.00 177.39 176.55 1wk1 s THR 12 N -2.51 0.42 -0.65 -5.08 -4.23 -1.26 -5.03 115.64 97.29 1wk1 s THR 12 Ca 0.39 -0.39 -0.27 0.00 -1.18 0.00 0.00 61.69 60.24 1wk1 s THR 12 Cb -0.22 -0.39 0.01 0.00 1.34 0.00 0.00 72.50 73.24 1wk1 s THR 12 CO 0.47 0.01 1.48 -0.69 -0.54 0.00 0.00 174.62 175.35 1wk1 s VAL 13 N -0.37 3.64 -0.16 2.29 1.01 -1.26 -4.41 120.40 121.14 1wk1 s VAL 13 Ca -0.01 0.43 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 1wk1 s VAL 13 Cb -0.04 -4.51 -0.01 0.00 0.00 0.00 0.00 36.38 31.83 1wk1 s VAL 13 CO -0.00 -1.40 1.16 0.20 0.00 0.00 0.00 175.10 175.07 1wk1 s ASN 14 N 5.14 7.04 0.23 3.32 0.01 -1.09 -4.93 114.94 124.66 1wk1 s ASN 14 Ca 0.49 1.61 -0.14 0.00 -0.71 0.00 0.00 52.86 54.11 1wk1 s ASN 14 Cb -0.10 -2.54 0.27 0.00 0.41 0.00 0.00 41.25 39.29 1wk1 s ASN 14 CO 0.19 -0.67 1.59 -2.24 -1.51 0.00 0.00 177.10 174.46 1wk1 h ASP 15 N 7.75 -0.89 -0.13 -1.22 2.03 -1.93 -3.37 116.42 118.66 1wk1 h ASP 15 Ca -0.26 0.24 -0.65 0.00 -0.73 0.00 0.00 57.03 55.62 1wk1 h ASP 15 Cb 1.11 0.53 -0.03 0.00 -0.83 0.00 0.00 39.33 40.11 1wk1 h ASP 15 CO 0.95 -0.27 1.02 0.47 -1.03 0.00 0.00 179.24 180.37 1wk1 n ASP 16 N -5.49 0.68 -4.72 4.15 8.00 -1.26 -4.58 116.55 113.33 1wk1 n ASP 16 Ca 0.09 0.63 -0.39 0.00 0.71 0.00 0.00 54.79 55.84 1wk1 n ASP 16 Cb 0.39 -0.75 -0.05 0.00 -0.02 0.00 0.00 41.12 40.69 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 4.61 5.13 -0.15 0.53 -4.36 -1.26 -4.41 121.20 121.29 1wk1 s ILE 17 Ca 0.98 1.13 -0.15 0.00 -0.26 0.00 0.00 60.65 62.35 1wk1 s ILE 17 Cb -1.25 -3.90 0.04 0.00 1.25 0.00 0.00 42.46 38.60 1wk1 s ILE 17 CO 0.57 0.30 0.42 -0.76 0.24 0.00 0.00 174.94 175.72 1wk1 s LEU 18 N 0.65 0.39 1.16 0.37 1.43 -0.38 -4.63 118.68 117.67 1wk1 s LEU 18 Ca 0.30 0.80 -0.18 0.00 -1.03 0.00 0.00 54.13 54.03 1wk1 s LEU 18 Cb -0.16 1.46 0.18 0.00 0.03 0.00 0.00 46.19 47.70 1wk1 s LEU 18 CO 0.13 -0.18 0.31 -1.20 0.23 0.00 0.00 176.35 175.64 1wk1 n SER 19 N 2.71 -2.54 0.02 2.29 7.64 -1.25 -3.43 113.62 119.06 1wk1 n SER 19 Ca -0.14 -0.25 -0.10 0.00 1.01 0.00 0.00 58.87 59.38 1wk1 n SER 19 Cb 0.57 -0.98 -0.05 0.00 -1.01 0.00 0.00 64.21 62.74 1wk1 n SER 19 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1wk1 h MET 20 N -2.44 -0.10 0.00 1.43 4.05 -1.77 0.58 114.93 116.67 1wk1 h MET 20 Ca -0.51 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 58.89 1wk1 h MET 20 Cb 1.27 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1wk1 h MET 20 CO 0.36 -0.07 -0.16 -1.00 0.23 0.00 0.00 176.91 176.28 1wk1 h PRO 21 N -0.10 0.00 0.01 0.39 0.13 -1.91 -2.25 132.00 128.28 1wk1 h PRO 21 Ca 0.05 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.92 1wk1 h PRO 21 Cb 0.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.27 1wk1 h PRO 21 CO -0.13 0.16 -1.46 1.96 -0.23 0.00 0.00 178.00 178.30 1wk1 h GLN 22 N 0.00 0.03 0.07 0.86 1.08 -1.70 -3.30 115.11 112.15 1wk1 h GLN 22 Ca -0.00 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1wk1 h GLN 22 Cb 0.61 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1wk1 h GLN 22 CO 0.02 0.73 -0.03 0.00 -0.95 0.00 0.00 178.83 178.60 1wk1 h ALA 23 N 0.94 -0.22 -1.03 3.87 0.00 0.32 -3.04 119.26 120.11 1wk1 h ALA 23 Ca -0.19 -0.02 0.39 0.00 0.00 0.00 0.00 54.91 55.09 1wk1 h ALA 23 Cb 1.93 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 19.59 1wk1 h ALA 23 CO 0.10 -0.21 0.57 0.07 0.00 0.00 0.00 179.25 179.79 1wk1 h ARG 24 N -0.36 0.10 -0.52 0.00 0.11 -1.62 1.50 114.38 113.59 1wk1 h ARG 24 Ca -0.01 -0.01 -0.07 0.00 0.10 0.00 0.00 59.98 60.00 1wk1 h ARG 24 Cb 0.07 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.10 1wk1 h ARG 24 CO 0.01 0.07 0.06 -0.97 0.10 0.00 0.00 179.97 179.24 1wk1 h ASN 25 N 0.10 0.79 0.35 0.08 -1.24 -1.67 -2.81 115.58 111.19 1wk1 h ASN 25 Ca 0.81 -0.17 -0.02 0.00 0.71 0.00 0.00 56.30 57.64 1wk1 h ASN 25 Cb 2.11 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 40.95 1wk1 h ASN 25 CO -0.70 0.82 -0.17 0.15 -1.29 0.00 0.00 177.43 176.25 1wk1 h PHE 26 N 0.79 -0.44 -1.00 0.67 3.04 0.22 -2.52 116.94 117.71 1wk1 h PHE 26 Ca 0.16 -0.01 0.38 0.00 3.98 0.00 0.00 57.97 62.48 1wk1 h PHE 26 Cb 0.39 0.15 -0.18 0.00 2.56 0.00 0.00 35.95 38.87 1wk1 h PHE 26 CO 0.02 -0.27 0.40 0.00 -2.02 0.00 0.00 178.31 176.44 1wk1 h ALA 28 N 2.00 0.14 -0.58 0.00 0.00 -1.24 0.57 119.26 120.15 1wk1 h ALA 28 Ca 0.78 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.63 1wk1 h ALA 28 Cb 1.97 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 1wk1 h ALA 28 CO -0.81 -0.24 0.26 1.03 0.00 0.00 0.00 179.25 179.49 1wk1 h SER 29 N -0.03 0.34 -0.60 0.00 0.87 0.78 -1.80 113.55 113.11 1wk1 h SER 29 Ca 0.03 0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.57 1wk1 h SER 29 Cb 0.24 -0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1wk1 h SER 29 CO -0.00 0.22 0.11 0.00 -0.53 0.00 0.00 176.83 176.63 1wk1 h ALA 30 N 1.35 1.02 0.00 6.23 0.00 -1.12 -3.46 119.26 123.26 1wk1 h ALA 30 Ca 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wk1 h ALA 30 Cb 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wk1 h ALA 30 CO -0.22 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.07 1wk1 n GLY 31 N -0.67 0.54 0.00 0.00 0.00 -0.50 -5.00 105.19 99.57 1wk1 n GLY 31 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 2.89 3.56 -0.02 0.00 0.19 -4.82 105.19 106.99 1wk1 n GLY 32 Ca 0.00 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.95 -0.61 0.25 1.61 -0.85 0.60 -2.62 117.35 112.77 1wk1 s TYR 33 Ca 0.00 1.16 -0.21 0.00 -0.52 0.00 0.00 57.07 57.50 1wk1 s TYR 33 Cb 0.00 0.39 -0.14 0.00 0.38 0.00 0.00 41.96 42.59 1wk1 s TYR 33 CO 0.00 -0.49 0.27 1.28 -1.52 0.00 0.00 175.55 175.09 1wk1 n LEU 34 N 1.26 -1.69 -4.80 -3.49 4.77 -1.26 0.65 117.00 112.43 1wk1 n LEU 34 Ca -0.16 0.83 -0.36 0.00 -0.03 0.00 0.00 56.01 56.29 1wk1 n LEU 34 Cb 0.57 -0.77 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 1wk1 n LEU 34 CO 0.17 -3.00 0.59 0.00 -1.33 0.00 0.00 177.39 173.83 1wk1 s ALA 35 N -1.11 3.21 0.70 -1.18 0.00 0.09 -4.52 121.76 118.96 1wk1 s ALA 35 Ca 0.52 0.40 -0.09 0.00 0.00 0.00 0.00 51.96 52.79 1wk1 s ALA 35 Cb -0.67 -3.08 0.04 0.00 0.00 0.00 0.00 23.12 19.41 1wk1 s ALA 35 CO 0.50 0.20 1.05 0.16 0.00 0.00 0.00 175.76 177.67 1wk1 s ASP 36 N -1.81 5.07 -0.08 0.00 1.47 -1.26 -1.87 116.67 118.19 1wk1 s ASP 36 Ca 0.52 0.75 0.21 0.00 1.18 0.00 0.00 52.55 55.21 1wk1 s ASP 36 Cb -0.15 -1.47 0.43 0.00 -0.34 0.00 0.00 42.92 41.38 1wk1 s ASP 36 CO 0.20 -1.49 1.18 -0.67 0.68 0.00 0.00 175.17 175.08 1wk1 n ASP 37 N -2.96 1.32 -4.27 2.11 2.03 -1.26 -4.89 116.55 108.63 1wk1 n ASP 37 Ca 0.07 -2.61 -0.44 0.00 0.52 0.00 0.00 54.79 52.32 1wk1 n ASP 37 Cb 0.59 -0.38 -0.06 0.00 -0.72 0.00 0.00 41.12 40.56 1wk1 n ASP 37 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1wk1 s LEU 38 N -1.22 6.12 0.00 -2.67 2.34 -1.26 -4.60 118.68 117.40 1wk1 s LEU 38 Ca 0.35 -2.13 0.00 0.00 0.06 0.00 0.00 54.13 52.41 1wk1 s LEU 38 Cb 0.38 -2.13 0.00 0.00 -0.56 0.00 0.00 46.19 43.88 1wk1 s LEU 38 CO -0.13 -0.71 0.00 0.61 -1.06 0.00 0.00 176.35 175.06 1wk1 n GLY 39 N 4.70 2.04 0.48 -3.48 0.00 -1.26 -4.83 105.19 102.84 1wk1 n GLY 39 Ca -0.04 0.26 0.40 0.00 0.00 0.00 0.00 46.02 46.65 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 0.20 0.07 1.61 9.92 -1.26 0.23 116.55 127.31 1wk1 n ASP 40 Ca 0.00 1.35 -0.15 0.00 -0.53 0.00 0.00 54.79 55.46 1wk1 n ASP 40 Cb 0.00 -0.66 -0.14 0.00 -0.64 0.00 0.00 41.12 39.68 1wk1 n ASP 40 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1wk1 h ASP 41 N 0.00 0.33 -0.20 -2.24 3.32 -1.99 -2.88 116.42 112.76 1wk1 h ASP 41 Ca 0.87 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 57.48 1wk1 h ASP 41 Cb 2.85 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 42.29 1wk1 h ASP 41 CO -0.44 1.33 0.00 0.50 -1.72 0.00 0.00 179.24 178.92 1wk1 h LYS 42 N 0.06 0.36 -0.30 3.56 1.63 0.25 -2.09 116.57 120.03 1wk1 h LYS 42 Ca -0.18 -0.12 -0.06 0.00 -0.85 0.00 0.00 60.65 59.45 1wk1 h LYS 42 Cb 1.97 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.56 1wk1 h LYS 42 CO 0.17 0.56 -0.03 -0.97 -3.45 0.00 0.00 179.45 175.72 1wk1 h ASN 43 N 0.12 0.55 -0.98 4.20 -1.24 -0.82 -2.79 115.58 114.62 1wk1 h ASN 43 Ca 0.06 -0.33 0.08 0.00 0.71 0.00 0.00 56.30 56.82 1wk1 h ASN 43 Cb 0.39 -0.15 -0.07 0.00 0.73 0.00 0.00 38.32 39.23 1wk1 h ASN 43 CO 0.01 0.75 0.63 0.78 -1.29 0.00 0.00 177.43 178.31 1wk1 h ASN 44 N 0.34 0.97 -0.53 1.15 2.35 -1.49 0.49 115.58 118.85 1wk1 h ASN 44 Ca 0.08 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 1wk1 h ASN 44 Cb 0.49 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 1wk1 h ASN 44 CO 0.02 0.59 0.11 0.15 -1.65 0.00 0.00 177.43 176.65 1wk1 h PHE 45 N 1.08 0.96 -0.01 1.19 3.57 -1.23 -3.10 116.94 119.40 1wk1 h PHE 45 Ca 0.44 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1wk1 h PHE 45 Cb 0.29 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1wk1 h PHE 45 CO -0.00 0.81 -0.02 1.88 -2.23 0.00 0.00 178.31 178.74 1wk1 h TYR 46 N 0.87 0.05 -1.46 0.41 0.05 -0.96 -2.99 116.97 112.94 1wk1 h TYR 46 Ca 0.18 -0.02 0.42 0.00 0.05 0.00 0.00 58.73 59.37 1wk1 h TYR 46 Cb 0.35 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 38.03 1wk1 h TYR 46 CO 0.02 0.61 1.06 1.03 -1.05 0.00 0.00 178.16 179.84 1wk1 h SER 47 N -0.53 0.00 0.00 3.88 0.87 -0.89 1.05 113.55 117.93 1wk1 h SER 47 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wk1 h SER 47 Cb 0.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1wk1 h SER 47 CO 0.01 0.00 0.00 -0.24 -0.53 0.00 0.00 176.83 176.07 1wk1 n SER 48 N -4.07 0.00 0.11 6.23 2.88 -1.18 -3.86 113.62 113.74 1wk1 n SER 48 Ca 0.32 0.50 0.07 0.00 -1.33 0.00 0.00 58.87 58.43 1wk1 n SER 48 Cb 1.53 -0.48 0.36 0.00 -0.75 0.00 0.00 64.21 64.87 1wk1 n SER 48 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 1wk1 n ILE 49 N -1.93 1.23 -0.30 2.46 -5.35 -0.90 -0.53 119.36 114.04 1wk1 n ILE 49 Ca 0.00 0.66 0.03 0.00 -0.27 0.00 0.00 62.75 63.18 1wk1 n ILE 49 Cb 0.00 -1.66 0.27 0.00 -1.74 0.00 0.00 39.64 36.50 1wk1 n ILE 49 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wk1 n ALA 50 N -1.64 3.52 -1.38 -1.28 0.00 0.36 -4.90 120.51 115.19 1wk1 n ALA 50 Ca -0.01 -1.34 -0.55 0.00 0.00 0.00 0.00 53.44 51.54 1wk1 n ALA 50 Cb 0.08 -1.10 -0.09 0.00 0.00 0.00 0.00 19.45 18.34 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 0.36 0.61 -3.79 0.00 0.00 0.31 0.10 120.51 118.11 1wk1 n ALA 51 Ca 0.20 0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 1wk1 n ALA 51 Cb 0.92 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.03 1wk1 n ALA 51 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1wk1 n ASN 52 N 8.52 -3.46 -4.05 0.00 0.23 -1.25 -4.91 115.26 110.34 1wk1 n ASN 52 Ca 0.46 -0.68 -0.26 0.00 -0.53 0.00 0.00 54.58 53.57 1wk1 n ASN 52 Cb 0.10 -2.85 -0.17 0.00 -2.08 0.00 0.00 39.78 34.79 1wk1 n ASN 52 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1wk1 s THR 53 N -3.08 1.32 -0.30 5.53 2.01 0.11 -4.61 115.64 116.62 1wk1 s THR 53 Ca 0.57 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 1wk1 s THR 53 Cb -0.31 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 71.02 1wk1 s THR 53 CO 0.70 0.40 0.07 -1.10 -0.69 0.00 0.00 174.62 174.00 1wk1 s GLN 54 N 0.73 2.94 0.23 4.92 -0.21 -1.26 -1.87 119.66 125.13 1wk1 s GLN 54 Ca -0.13 -0.96 0.04 0.00 0.02 0.00 0.00 55.36 54.34 1wk1 s GLN 54 Cb -0.16 -3.36 -0.05 0.00 1.00 0.00 0.00 33.01 30.44 1wk1 s GLN 54 CO 0.03 -0.50 -0.03 -0.59 -2.12 0.00 0.00 175.29 172.08 1wk1 s PHE 55 N 1.46 1.59 0.68 0.91 -0.71 -1.15 -3.91 117.98 116.84 1wk1 s PHE 55 Ca 0.01 -0.84 -0.11 0.00 -1.04 0.00 0.00 56.93 54.95 1wk1 s PHE 55 Cb -0.18 -0.90 -0.00 0.00 -1.21 0.00 0.00 43.02 40.73 1wk1 s PHE 55 CO 0.02 0.05 1.06 -1.58 -1.34 0.00 0.00 175.22 173.43 1wk1 s TRP 56 N -3.32 3.35 0.30 3.49 0.52 0.13 0.14 118.94 123.54 1wk1 s TRP 56 Ca 0.27 1.23 0.03 0.00 0.02 0.00 0.00 56.10 57.65 1wk1 s TRP 56 Cb 0.05 -2.90 -0.04 0.00 -1.15 0.00 0.00 33.47 29.43 1wk1 s TRP 56 CO 0.08 -1.06 0.15 0.96 0.02 0.00 0.00 176.95 177.09 1wk1 s ILE 57 N -3.20 0.37 0.06 2.03 -4.36 -1.21 -4.30 121.20 110.59 1wk1 s ILE 57 Ca 0.57 -2.00 0.32 0.00 -0.26 0.00 0.00 60.65 59.28 1wk1 s ILE 57 Cb -0.12 -2.53 0.34 0.00 1.25 0.00 0.00 42.46 41.40 1wk1 s ILE 57 CO 0.54 0.00 1.96 1.23 0.24 0.00 0.00 174.94 178.91 1wk1 h GLY 58 N 2.24 0.00 -4.84 6.27 0.00 -1.65 -3.43 103.07 101.66 1wk1 h GLY 58 Ca -0.34 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.44 1wk1 h GLY 58 CO 0.54 0.00 0.80 -2.27 0.00 0.00 0.00 176.54 175.60 1wk1 s LEU 59 N -5.43 4.30 -0.21 3.11 2.96 -1.25 -1.16 118.68 121.00 1wk1 s LEU 59 Ca -0.01 2.02 -0.20 0.00 -0.22 0.00 0.00 54.13 55.73 1wk1 s LEU 59 Cb 0.10 -3.56 0.05 0.00 0.50 0.00 0.00 46.19 43.28 1wk1 s LEU 59 CO 0.40 -0.68 0.56 0.72 -1.32 0.00 0.00 176.35 176.03 1wk1 s PHE 60 N 2.36 -0.61 0.39 5.38 -0.12 -0.56 -2.85 117.98 121.97 1wk1 s PHE 60 Ca 0.61 1.49 -0.25 0.00 -0.05 0.00 0.00 56.93 58.74 1wk1 s PHE 60 Cb -0.29 0.21 -0.09 0.00 -0.63 0.00 0.00 43.02 42.22 1wk1 s PHE 60 CO 0.25 -0.31 1.11 0.21 -0.05 0.00 0.00 175.22 176.43 1wk1 s LYS 61 N 0.25 4.13 0.38 1.99 2.20 -0.64 -0.27 119.74 127.77 1wk1 s LYS 61 Ca -0.00 1.68 0.08 0.00 -0.36 0.00 0.00 55.97 57.36 1wk1 s LYS 61 Cb -0.04 -2.64 -0.02 0.00 -1.51 0.00 0.00 37.83 33.63 1wk1 s LYS 61 CO 0.01 -0.21 0.37 1.21 -0.36 0.00 0.00 175.35 176.37 1wk1 s ASN 62 N -1.33 5.25 0.18 1.43 3.84 0.13 -4.85 114.94 119.59 1wk1 s ASN 62 Ca 0.57 -0.59 -0.20 0.00 0.21 0.00 0.00 52.86 52.86 1wk1 s ASN 62 Cb -0.27 -0.77 0.12 0.00 -0.55 0.00 0.00 41.25 39.78 1wk1 s ASN 62 CO 0.33 -0.54 1.61 0.28 -2.79 0.00 0.00 177.10 176.00 1wk1 h SER 63 N 1.06 -0.87 -0.69 -4.21 0.02 -1.97 -0.93 113.55 105.95 1wk1 h SER 63 Ca -0.43 0.18 0.14 0.00 -0.84 0.00 0.00 61.79 60.85 1wk1 h SER 63 Cb 1.26 0.45 -0.13 0.00 0.14 0.00 0.00 62.40 64.12 1wk1 h SER 63 CO 0.56 -0.27 -0.19 0.44 -1.14 0.00 0.00 176.83 176.23 1wk1 h ASP 64 N -0.16 -0.70 0.00 3.07 3.32 -2.04 -3.45 116.42 116.47 1wk1 h ASP 64 Ca 0.21 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1wk1 h ASP 64 Cb 0.49 0.45 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1wk1 h ASP 64 CO -0.56 -0.24 0.00 0.61 -1.72 0.00 0.00 179.24 177.33 1wk1 n GLY 65 N -1.47 -0.43 3.95 2.75 0.00 -0.35 -5.15 105.19 104.49 1wk1 n GLY 65 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 3.39 0.23 1.61 -0.21 -1.26 -4.76 119.66 118.65 1wk1 s GLN 66 Ca 0.00 -0.76 -0.13 0.00 0.02 0.00 0.00 55.36 54.49 1wk1 s GLN 66 Cb 0.00 -2.87 -0.08 0.00 1.00 0.00 0.00 33.01 31.06 1wk1 s GLN 66 CO 0.00 0.44 0.62 -0.06 -2.12 0.00 0.00 175.29 174.17 1wk1 s PHE 67 N -1.95 3.48 0.35 0.91 0.08 -1.26 0.18 117.98 119.77 1wk1 s PHE 67 Ca 0.34 1.06 0.06 0.00 0.12 0.00 0.00 56.93 58.51 1wk1 s PHE 67 Cb -0.09 -2.40 -0.03 0.00 -0.57 0.00 0.00 43.02 39.93 1wk1 s PHE 67 CO 0.28 0.27 0.23 0.71 -0.10 0.00 0.00 175.22 176.62 1wk1 s TYR 68 N -1.73 1.74 -0.01 0.36 1.51 0.62 0.09 117.35 119.93 1wk1 s TYR 68 Ca 0.46 -1.56 0.07 0.00 -1.01 0.00 0.00 57.07 55.03 1wk1 s TYR 68 Cb -0.13 -0.83 -0.02 0.00 -0.11 0.00 0.00 41.96 40.87 1wk1 s TYR 68 CO 0.20 -0.71 -0.22 -1.58 -1.11 0.00 0.00 175.55 172.13 1wk1 s TRP 69 N -3.41 2.46 -0.15 2.71 0.52 0.34 -1.50 118.94 119.92 1wk1 s TRP 69 Ca 0.36 -0.33 -0.29 0.00 0.02 0.00 0.00 56.10 55.85 1wk1 s TRP 69 Cb 0.02 -1.51 -0.02 0.00 -1.15 0.00 0.00 33.47 30.82 1wk1 s TRP 69 CO 0.23 0.09 1.28 -0.51 0.02 0.00 0.00 176.95 178.06 1wk1 s ASP 70 N -0.87 6.94 -0.23 2.95 1.01 -0.31 -2.64 116.67 123.52 1wk1 s ASP 70 Ca 0.11 1.74 0.11 0.00 0.71 0.00 0.00 52.55 55.22 1wk1 s ASP 70 Cb -0.10 -2.54 0.44 0.00 1.01 0.00 0.00 42.92 41.72 1wk1 s ASP 70 CO 0.01 -0.75 1.28 0.54 0.21 0.00 0.00 175.17 176.46 1wk1 n ARG 71 N 6.45 1.66 0.00 8.23 5.12 -1.26 -4.75 116.66 132.10 1wk1 n ARG 71 Ca 0.14 -3.22 0.00 0.00 -1.93 0.00 0.00 57.85 52.84 1wk1 n ARG 71 Cb 0.45 -1.67 0.00 0.00 -1.16 0.00 0.00 32.46 30.08 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 -1.13 -1.37 3.64 -0.13 0.00 -1.26 -4.56 105.19 100.37 1wk1 n GLY 72 Ca 0.23 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 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 0.00 4.06 0.00 1.61 0.74 -1.26 -4.27 119.66 120.53 1wk1 s GLN 73 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.30 1wk1 s GLN 73 Cb 0.00 -3.59 0.00 0.00 1.10 0.00 0.00 33.01 30.52 1wk1 s GLN 73 CO 0.00 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.07 1wk1 n GLY 74 N 4.45 2.71 3.76 2.59 0.00 -1.26 -5.01 105.19 112.44 1wk1 n GLY 74 Ca -0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.18 2.67 -0.17 -0.61 -1.09 -1.26 -4.94 121.20 114.62 1wk1 s ILE 75 Ca 0.00 0.46 -0.29 0.00 -2.23 0.00 0.00 60.65 58.58 1wk1 s ILE 75 Cb 0.00 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.64 1wk1 s ILE 75 CO 0.00 -0.05 1.47 0.54 -1.23 0.00 0.00 174.94 175.67 1wk1 s ASN 76 N -1.39 6.68 0.25 3.58 4.22 -1.26 -4.74 114.94 122.28 1wk1 s ASN 76 Ca 0.72 1.75 -0.30 0.00 -2.14 0.00 0.00 52.86 52.89 1wk1 s ASN 76 Cb -0.32 -2.54 -0.09 0.00 1.28 0.00 0.00 41.25 39.58 1wk1 s ASN 76 CO 0.36 -0.98 1.27 -2.16 -2.04 0.00 0.00 177.10 173.55 1wk1 s PRO 77 N 4.06 4.43 -0.21 3.55 0.04 -1.26 -4.75 135.00 140.85 1wk1 s PRO 77 Ca 0.64 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 63.46 1wk1 s PRO 77 Cb -0.25 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1wk1 s PRO 77 CO 0.24 -0.14 0.95 0.34 0.04 0.00 0.00 177.00 178.43 1wk1 s ASP 78 N -0.14 7.02 0.79 6.66 2.15 -1.08 -4.70 116.67 127.37 1wk1 s ASP 78 Ca 0.52 1.28 -0.13 0.00 0.43 0.00 0.00 52.55 54.64 1wk1 s ASP 78 Cb -0.36 -2.50 0.07 0.00 -0.30 0.00 0.00 42.92 39.83 1wk1 s ASP 78 CO 0.43 -0.57 1.19 -0.22 -0.17 0.00 0.00 175.17 175.83 1wk1 s LEU 79 N 2.83 3.16 -0.75 -1.34 0.20 -1.26 0.13 118.68 121.64 1wk1 s LEU 79 Ca 0.41 2.29 -0.20 0.00 0.69 0.00 0.00 54.13 57.32 1wk1 s LEU 79 Cb -0.16 -4.58 0.10 0.00 -0.43 0.00 0.00 46.19 41.13 1wk1 s LEU 79 CO 0.09 -2.52 0.97 -0.22 -0.29 0.00 0.00 176.35 174.38 1wk1 s LEU 80 N -5.64 4.87 -0.09 -0.68 2.96 0.11 -4.74 118.68 115.48 1wk1 s LEU 80 Ca 0.72 -1.50 0.13 0.00 -0.22 0.00 0.00 54.13 53.26 1wk1 s LEU 80 Cb -0.27 -2.38 0.20 0.00 0.50 0.00 0.00 46.19 44.23 1wk1 s LEU 80 CO 0.50 -1.22 1.09 -3.20 -1.32 0.00 0.00 176.35 172.20 1wk1 n ASN 81 N 6.94 1.67 -4.77 3.68 2.85 -1.26 -4.83 115.26 119.54 1wk1 n ASN 81 Ca 0.05 -2.72 -0.38 0.00 -0.11 0.00 0.00 54.58 51.42 1wk1 n ASN 81 Cb 0.46 -0.34 -0.03 0.00 1.24 0.00 0.00 39.78 41.11 1wk1 n ASN 81 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wk1 s GLN 82 N -1.98 4.21 0.33 1.20 -2.07 -1.26 -4.95 119.66 115.14 1wk1 s GLN 82 Ca 0.22 1.79 0.13 0.00 -1.82 0.00 0.00 55.36 55.68 1wk1 s GLN 82 Cb 0.19 -2.78 0.58 0.00 -1.09 0.00 0.00 33.01 29.91 1wk1 s GLN 82 CO 0.02 -0.17 1.74 -1.00 -1.32 0.00 0.00 175.29 174.56 1wk1 h PRO 83 N 2.90 0.00 -5.32 9.60 0.13 -2.04 -3.42 132.00 133.85 1wk1 h PRO 83 Ca -0.48 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.05 1wk1 h PRO 83 Cb 1.23 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.24 1wk1 h PRO 83 CO 0.63 0.47 -0.47 0.42 -0.23 0.00 0.00 178.00 178.83 1wk1 s ILE 84 N -3.90 5.40 0.11 -3.56 1.01 -1.26 -5.09 121.20 113.91 1wk1 s ILE 84 Ca -0.02 0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.85 1wk1 s ILE 84 Cb 0.13 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1wk1 s ILE 84 CO 0.73 0.44 0.06 0.42 0.00 0.00 0.00 174.94 176.60 1wk1 s THR 85 N 0.33 0.13 -0.11 2.92 -4.23 -1.26 -5.01 115.64 108.40 1wk1 s THR 85 Ca 0.09 -1.80 0.01 0.00 -1.18 0.00 0.00 61.69 58.81 1wk1 s THR 85 Cb -0.11 -1.86 0.03 0.00 1.34 0.00 0.00 72.50 71.89 1wk1 s THR 85 CO -0.01 -0.59 0.91 -1.22 -0.54 0.00 0.00 174.62 173.17 1wk1 n TYR 86 N -0.05 0.04 -1.43 3.99 4.01 -1.26 -5.02 117.16 117.44 1wk1 n TYR 86 Ca -0.08 -0.38 -0.57 0.00 -0.16 0.00 0.00 57.90 56.70 1wk1 n TYR 86 Cb 0.63 -0.04 -0.09 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 -0.28 1.42 -0.62 -0.72 7.02 -1.26 -3.39 117.44 119.61 1wk1 n TRP 87 Ca 0.01 0.93 -0.24 0.00 -1.02 0.00 0.00 57.50 57.18 1wk1 n TRP 87 Cb 0.21 -1.93 0.14 0.00 -2.42 0.00 0.00 31.31 27.32 1wk1 n TRP 87 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wk1 n ALA 88 N 4.01 -2.27 -1.67 6.99 0.00 0.92 -4.58 120.51 123.92 1wk1 n ALA 88 Ca 0.31 -1.15 -0.46 0.00 0.00 0.00 0.00 53.44 52.14 1wk1 n ALA 88 Cb -0.05 -1.07 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.96 3.64 0.00 0.00 5.15 -1.26 -0.38 115.26 121.45 1wk1 n ASN 89 Ca 0.03 0.90 0.00 0.00 -0.60 0.00 0.00 54.58 54.91 1wk1 n ASN 89 Cb 0.47 -1.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.30 1wk1 n ASN 89 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wk1 n GLY 90 N 4.58 2.71 3.82 8.20 0.00 -1.26 -5.01 105.19 118.23 1wk1 n GLY 90 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.22 3.48 0.58 1.61 0.41 0.49 -4.25 118.70 120.80 1wk1 s GLU 91 Ca 0.00 1.10 -0.18 0.00 -0.41 0.00 0.00 54.97 55.49 1wk1 s GLU 91 Cb 0.00 -2.06 -0.04 0.00 -1.78 0.00 0.00 34.13 30.25 1wk1 s GLU 91 CO 0.00 -0.67 1.12 -1.25 -0.49 0.00 0.00 175.26 173.97 1wk1 s PRO 92 N -4.17 3.16 0.44 0.39 0.04 -1.26 -4.63 135.00 128.96 1wk1 s PRO 92 Ca 0.62 1.53 -0.21 0.00 0.04 0.00 0.00 61.00 62.98 1wk1 s PRO 92 Cb -0.14 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.31 1wk1 s PRO 92 CO 0.37 -0.99 0.97 0.45 0.04 0.00 0.00 177.00 177.84 1wk1 s SER 93 N -2.06 6.80 -0.57 6.66 0.15 -1.26 -4.96 113.70 118.45 1wk1 s SER 93 Ca 0.71 1.76 -0.02 0.00 0.70 0.00 0.00 55.95 59.10 1wk1 s SER 93 Cb -0.23 -2.55 0.33 0.00 -1.71 0.00 0.00 66.02 61.87 1wk1 s SER 93 CO 0.32 -0.46 2.10 -0.46 1.20 0.00 0.00 173.24 175.95 1wk1 n ASN 94 N -0.68 7.22 -4.76 5.45 6.94 -1.26 -4.95 115.26 123.23 1wk1 n ASN 94 Ca 0.07 -3.54 -0.37 0.00 -0.02 0.00 0.00 54.58 50.73 1wk1 n ASN 94 Cb 0.53 -1.04 -0.07 0.00 -2.36 0.00 0.00 39.78 36.85 1wk1 n ASN 94 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1wk1 s ASP 95 N -0.95 6.54 0.48 0.53 -1.08 -1.26 -4.98 116.67 115.95 1wk1 s ASP 95 Ca 0.53 0.64 0.26 0.00 -0.52 0.00 0.00 52.55 53.46 1wk1 s ASP 95 Cb 0.41 -2.20 1.11 0.00 -1.46 0.00 0.00 42.92 40.78 1wk1 s ASP 95 CO -0.08 0.14 1.91 1.55 0.52 0.00 0.00 175.17 179.21 1wk1 h PRO 96 N 6.23 0.00 0.07 4.34 0.13 -2.05 -3.17 132.00 137.55 1wk1 h PRO 96 Ca -0.44 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.57 1wk1 h PRO 96 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 1wk1 h PRO 96 CO 0.72 0.17 -0.53 1.79 -0.23 0.00 0.00 178.00 179.92 1wk1 h THR 97 N 0.00 1.56 -3.40 1.56 1.35 -2.00 -3.43 112.91 108.56 1wk1 h THR 97 Ca -0.00 -2.33 -0.60 0.00 -0.55 0.00 0.00 66.41 62.93 1wk1 h THR 97 Cb 0.62 3.07 -0.09 0.00 -1.73 0.00 0.00 68.15 70.01 1wk1 h THR 97 CO 0.02 0.65 0.47 -0.13 -0.25 0.00 0.00 175.52 176.28 1wk1 s ARG 98 N -2.64 4.01 0.00 4.72 0.52 -1.20 -4.26 118.95 120.10 1wk1 s ARG 98 Ca -0.15 0.70 0.00 0.00 -0.52 0.00 0.00 55.73 55.76 1wk1 s ARG 98 Cb 0.01 -3.72 0.00 0.00 0.52 0.00 0.00 34.95 31.76 1wk1 s ARG 98 CO 0.79 -0.69 0.00 1.04 0.02 0.00 0.00 175.30 176.46 1wk1 n GLN 99 N 6.27 0.48 -2.17 3.54 6.02 -1.21 -4.60 117.38 125.70 1wk1 n GLN 99 Ca 0.05 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.76 1wk1 n GLN 99 Cb 0.48 -0.95 0.04 0.00 1.02 0.00 0.00 30.24 30.83 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 -3.16 2.03 0.06 0.00 1.01 -1.13 -0.80 120.40 118.40 1wk1 s VAL 101 Ca 0.56 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1wk1 s VAL 101 Cb -0.11 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1wk1 s VAL 101 CO 0.48 0.33 -0.12 -0.72 0.00 0.00 0.00 175.10 175.07 1wk1 s TYR 102 N -0.80 1.05 -0.44 5.22 1.13 -0.21 -3.36 117.35 119.94 1wk1 s TYR 102 Ca 0.11 -0.46 -0.29 0.00 -1.41 0.00 0.00 57.07 55.02 1wk1 s TYR 102 Cb -0.10 -0.60 0.02 0.00 -1.10 0.00 0.00 41.96 40.19 1wk1 s TYR 102 CO 0.02 0.01 1.23 0.12 -2.51 0.00 0.00 175.55 174.42 1wk1 s PHE 103 N -1.25 2.70 -1.11 -3.49 2.19 0.12 -2.76 117.98 114.38 1wk1 s PHE 103 Ca -0.04 0.74 -0.21 0.00 0.33 0.00 0.00 56.93 57.75 1wk1 s PHE 103 Cb -0.10 -4.33 0.06 0.00 -1.31 0.00 0.00 43.02 37.35 1wk1 s PHE 103 CO 0.02 -1.48 1.53 0.34 1.83 0.00 0.00 175.22 177.46 1wk1 s ASP 104 N 2.87 6.63 0.14 6.13 2.15 0.59 -2.93 116.67 132.25 1wk1 s ASP 104 Ca 0.52 -1.83 -0.16 0.00 0.43 0.00 0.00 52.55 51.52 1wk1 s ASP 104 Cb -0.10 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.97 1wk1 s ASP 104 CO 0.31 -1.37 1.71 1.23 -0.17 0.00 0.00 175.17 176.88 1wk1 h GLY 105 N 12.57 0.66 0.67 2.66 0.00 -1.57 -2.63 103.07 115.42 1wk1 h GLY 105 Ca 0.28 -0.33 0.13 0.00 0.00 0.00 0.00 47.33 47.41 1wk1 h GLY 105 CO 1.42 0.31 0.53 3.21 0.00 0.00 0.00 176.54 182.02 1wk1 h ARG 106 N 0.54 0.59 -5.65 4.80 3.08 -1.77 -3.33 114.38 112.63 1wk1 h ARG 106 Ca 0.14 -0.04 -0.57 0.00 0.07 0.00 0.00 59.98 59.59 1wk1 h ARG 106 Cb 0.13 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1wk1 h ARG 106 CO -0.02 0.39 1.56 0.45 -1.07 0.00 0.00 179.97 181.28 1wk1 n SER 107 N -4.52 1.78 -0.35 7.04 2.88 -0.99 -4.78 113.62 114.68 1wk1 n SER 107 Ca 0.15 0.08 0.26 0.00 -1.33 0.00 0.00 58.87 58.03 1wk1 n SER 107 Cb 0.45 -1.28 0.51 0.00 -0.75 0.00 0.00 64.21 63.13 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 14.49 1.84 -5.90 0.46 0.00 -1.87 -3.36 103.07 108.72 1wk1 h GLY 108 Ca -0.21 -0.22 -0.59 0.00 0.00 0.00 0.00 47.33 46.31 1wk1 h GLY 108 CO 1.14 -0.43 0.63 0.99 0.00 0.00 0.00 176.54 178.87 1wk1 s ASP 109 N -4.88 6.82 0.52 0.19 1.01 -1.26 -4.91 116.67 114.17 1wk1 s ASP 109 Ca -0.09 0.90 0.32 0.00 0.71 0.00 0.00 52.55 54.39 1wk1 s ASP 109 Cb 0.30 -2.48 1.26 0.00 1.01 0.00 0.00 42.92 43.01 1wk1 s ASP 109 CO 0.80 -0.73 1.94 0.07 0.21 0.00 0.00 175.17 177.45 1wk1 h LYS 110 N 8.04 0.00 -0.00 8.23 5.09 -1.94 -2.30 116.57 133.68 1wk1 h LYS 110 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.52 1wk1 h LYS 110 Cb 1.08 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.41 1wk1 h LYS 110 CO 0.96 0.00 -0.16 0.45 -2.09 0.00 0.00 179.45 178.61 1wk1 n SER 111 N -3.04 0.60 -0.88 7.07 2.88 -1.26 -3.66 113.62 115.33 1wk1 n SER 111 Ca 0.01 -0.61 0.05 0.00 -1.33 0.00 0.00 58.87 56.99 1wk1 n SER 111 Cb 0.32 -0.02 0.15 0.00 -0.75 0.00 0.00 64.21 63.91 1wk1 n SER 111 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1wk1 n LYS 112 N -0.91 1.14 0.08 -1.46 5.02 -0.87 -4.14 118.16 117.01 1wk1 n LYS 112 Ca 0.13 -2.93 -0.07 0.00 -2.02 0.00 0.00 58.31 53.42 1wk1 n LYS 112 Cb 0.30 -1.15 -0.07 0.00 -0.02 0.00 0.00 35.03 34.09 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 2.79 1.63 -2.46 -0.18 -1.51 -1.61 -3.37 116.25 111.55 1wk1 h VAL 113 Ca -0.07 -3.13 -0.56 0.00 -1.23 0.00 0.00 66.70 61.72 1wk1 h VAL 113 Cb 1.27 2.72 -0.00 0.00 -2.13 0.00 0.00 31.29 33.15 1wk1 h VAL 113 CO 0.04 0.90 1.23 0.26 -1.23 0.00 0.00 177.57 178.76 1wk1 s TRP 114 N -2.88 1.63 -0.05 5.19 0.52 -1.22 -0.30 118.94 121.84 1wk1 s TRP 114 Ca -0.00 0.15 -0.04 0.00 0.02 0.00 0.00 56.10 56.23 1wk1 s TRP 114 Cb 0.10 -4.04 0.01 0.00 -1.15 0.00 0.00 33.47 28.39 1wk1 s TRP 114 CO 0.82 -4.19 0.12 0.99 0.02 0.00 0.00 176.95 174.70 1wk1 s THR 115 N 5.35 -0.01 0.43 2.01 2.01 -1.11 -0.05 115.64 124.27 1wk1 s THR 115 Ca 0.83 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 62.69 1wk1 s THR 115 Cb -0.34 -0.17 -0.09 0.00 0.01 0.00 0.00 72.50 71.91 1wk1 s THR 115 CO 0.34 0.01 0.89 0.42 -0.69 0.00 0.00 174.62 175.59 1wk1 s THR 116 N 0.22 4.56 -0.05 -0.82 -4.23 -1.26 -1.04 115.64 113.02 1wk1 s THR 116 Ca -0.01 1.14 -0.30 0.00 -1.18 0.00 0.00 61.69 61.34 1wk1 s THR 116 Cb -0.02 -3.66 0.11 0.00 1.34 0.00 0.00 72.50 70.26 1wk1 s THR 116 CO -0.01 -0.45 0.94 -0.62 -0.54 0.00 0.00 174.62 173.95 1wk1 s ASP 117 N -2.66 -0.34 0.49 3.99 2.15 0.02 -4.91 116.67 115.42 1wk1 s ASP 117 Ca 0.58 0.05 -0.22 0.00 0.43 0.00 0.00 52.55 53.39 1wk1 s ASP 117 Cb -0.10 0.34 -0.09 0.00 -0.30 0.00 0.00 42.92 42.78 1wk1 s ASP 117 CO 0.23 -0.54 0.94 1.07 -0.17 0.00 0.00 175.17 176.70 1wk1 n THR 118 N -0.10 2.76 0.07 1.71 5.66 -1.26 -2.77 114.28 120.36 1wk1 n THR 118 Ca -0.08 -0.50 -0.09 0.00 -3.05 0.00 0.00 64.05 60.33 1wk1 n THR 118 Cb 0.61 -1.10 0.08 0.00 -1.55 0.00 0.00 70.33 68.37 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 -0.17 1.43 -2.24 0.00 0.00 -1.26 -3.30 120.51 114.98 1wk1 n ALA 120 Ca 0.24 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 1wk1 n ALA 120 Cb 0.98 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.40 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 -0.66 3.83 -0.52 0.00 2.01 -1.23 -4.59 115.64 114.49 1wk1 s THR 121 Ca 0.00 1.14 -0.27 0.00 0.31 0.00 0.00 61.69 62.87 1wk1 s THR 121 Cb 0.00 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1wk1 s THR 121 CO 0.00 -0.04 1.81 -2.16 -0.69 0.00 0.00 174.62 173.54 1wk1 s PRO 122 N 2.94 2.90 0.06 4.92 0.04 -1.26 -3.84 135.00 140.75 1wk1 s PRO 122 Ca 0.63 0.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 1wk1 s PRO 122 Cb -0.29 -4.31 -0.04 0.00 0.04 0.00 0.00 34.50 29.90 1wk1 s PRO 122 CO 0.24 -2.39 -0.01 1.03 0.04 0.00 0.00 177.00 175.91 1wk1 s ARG 123 N 6.48 0.65 0.84 4.56 0.52 -1.22 -4.64 118.95 126.14 1wk1 s ARG 123 Ca 0.70 -1.22 -0.11 0.00 -0.52 0.00 0.00 55.73 54.58 1wk1 s ARG 123 Cb -0.15 0.22 0.10 0.00 0.52 0.00 0.00 34.95 35.63 1wk1 s ARG 123 CO 0.25 -0.13 1.09 -1.25 0.02 0.00 0.00 175.30 175.29 1wk1 s PRO 124 N -3.93 1.67 0.36 3.54 0.04 -1.25 -1.25 135.00 134.18 1wk1 s PRO 124 Ca 0.08 0.97 -0.01 0.00 0.04 0.00 0.00 61.00 62.08 1wk1 s PRO 124 Cb 0.08 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1wk1 s PRO 124 CO -0.09 -2.00 0.48 -0.59 0.04 0.00 0.00 177.00 174.84 1wk1 s PHE 125 N -2.92 1.16 -0.06 0.56 -0.71 -1.26 0.17 117.98 114.92 1wk1 s PHE 125 Ca 0.62 -1.36 0.00 0.00 -1.04 0.00 0.00 56.93 55.15 1wk1 s PHE 125 Cb -0.18 -0.12 0.02 0.00 -1.21 0.00 0.00 43.02 41.53 1wk1 s PHE 125 CO 0.57 -1.16 -0.04 0.42 -1.34 0.00 0.00 175.22 173.67 1wk1 s ILE 126 N -2.94 0.60 0.05 -4.49 1.01 -1.26 -2.67 121.20 111.50 1wk1 s ILE 126 Ca 0.31 -0.10 -0.11 0.00 0.00 0.00 0.00 60.65 60.75 1wk1 s ILE 126 Cb -0.01 -0.66 -0.06 0.00 0.01 0.00 0.00 42.46 41.75 1wk1 s ILE 126 CO 0.22 0.27 0.39 0.00 0.00 0.00 0.00 174.94 175.81 1wk1 s GLN 128 N -1.66 0.56 0.52 0.00 0.74 0.21 -1.02 119.66 119.01 1wk1 s GLN 128 Ca 0.30 -0.88 0.05 0.00 0.05 0.00 0.00 55.36 54.88 1wk1 s GLN 128 Cb -0.14 -0.18 0.09 0.00 1.10 0.00 0.00 33.01 33.88 1wk1 s GLN 128 CO 0.16 0.01 0.71 1.63 -0.55 0.00 0.00 175.29 177.26 1wk1 n LYS 129 N 1.10 0.45 0.24 1.67 5.02 -1.26 -0.29 118.16 125.08 1wk1 n LYS 129 Ca -0.20 -2.44 0.07 0.00 -2.02 0.00 0.00 58.31 53.71 1wk1 n LYS 129 Cb 0.56 -0.32 0.58 0.00 -0.02 0.00 0.00 35.03 35.83 1wk1 n LYS 129 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1wk1 h HIS 130 N -0.15 0.00 -6.19 2.13 3.86 -1.98 -3.47 115.15 109.36 1wk1 h HIS 130 Ca -0.24 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.52 1wk1 h HIS 130 Cb 1.02 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.49 1wk1 h HIS 130 CO 0.00 0.09 -0.78 0.54 0.86 0.00 0.00 177.93 178.65 1wk1 n ARG 131 N -4.40 -5.55 -3.97 2.45 5.12 -1.26 -4.95 116.66 104.10 1wk1 n ARG 131 Ca -0.03 0.63 -0.31 0.00 -1.93 0.00 0.00 57.85 56.21 1wk1 n ARG 131 Cb 0.17 -5.43 -0.14 0.00 -1.16 0.00 0.00 32.46 25.90 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 -3.42 3.48 -0.13 -1.55 5.04 -1.26 -4.93 117.35 114.58 1wk1 s TYR 132 Ca 0.44 -3.06 -0.14 0.00 -2.44 0.00 0.00 57.07 51.87 1wk1 s TYR 132 Cb -0.22 -2.90 -0.25 0.00 0.35 0.00 0.00 41.96 38.95 1wk1 s TYR 132 CO 0.82 -0.85 0.42 0.22 -1.34 0.00 0.00 175.55 174.82 1wk1 h ASP 133 N 7.09 0.31 -0.06 4.32 3.58 -2.04 -3.46 116.42 126.16 1wk1 h ASP 133 Ca -0.06 -0.81 -0.60 0.00 0.42 0.00 0.00 57.03 55.97 1wk1 h ASP 133 Cb 0.96 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.88 1wk1 h ASP 133 CO 0.61 1.67 0.98 -1.20 -2.88 0.00 0.00 179.24 178.42 1wk1 n SER 134 N -3.89 0.61 -3.81 2.28 7.64 -1.26 -4.85 113.62 110.34 1wk1 n SER 134 Ca -0.29 0.56 -0.07 0.00 1.01 0.00 0.00 58.87 60.08 1wk1 n SER 134 Cb 0.90 -0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 63.39 1wk1 n SER 134 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wk1 s ASP 135 N 4.45 -0.28 -0.01 6.43 2.15 -1.26 -5.10 116.67 123.05 1wk1 s ASP 135 Ca 0.92 -0.53 -0.04 0.00 0.43 0.00 0.00 52.55 53.33 1wk1 s ASP 135 Cb -1.16 0.69 -0.02 0.00 -0.30 0.00 0.00 42.92 42.13 1wk1 s ASP 135 CO 0.52 -1.26 -0.09 1.57 -0.17 0.00 0.00 175.17 175.74 1wk1 n HIS 136 N -0.45 0.00 -4.33 -5.34 -0.00 -1.26 -5.09 115.22 98.75 1wk1 n HIS 136 Ca -0.05 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.48 1wk1 n HIS 136 Cb 0.60 -0.17 -0.10 0.00 -0.00 0.00 0.00 29.99 30.31 1wk1 n HIS 136 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1wk1 s LYS 137 N -2.18 1.28 -0.49 1.57 1.02 -1.26 -5.09 119.74 114.59 1wk1 s LYS 137 Ca -0.08 -1.53 -0.27 0.00 0.02 0.00 0.00 55.97 54.10 1wk1 s LYS 137 Cb 0.02 -1.10 -0.02 0.00 -0.52 0.00 0.00 37.83 36.22 1wk1 s LYS 137 CO 0.11 0.19 1.79 -1.25 -0.92 0.00 0.00 175.35 175.27 1wk1 s PRO 138 N -3.47 2.98 -0.15 -1.68 0.04 -1.26 -4.86 135.00 126.59 1wk1 s PRO 138 Ca 0.20 0.93 -0.14 0.00 0.04 0.00 0.00 61.00 62.03 1wk1 s PRO 138 Cb -0.01 -4.28 -0.10 0.00 0.04 0.00 0.00 34.50 30.14 1wk1 s PRO 138 CO 0.06 -2.30 0.12 -2.95 0.04 0.00 0.00 177.00 171.97 1wk1 h ASN 139 N 13.76 0.00 -3.13 6.66 7.08 -2.04 -3.45 115.58 134.46 1wk1 h ASN 139 Ca -0.29 -0.29 -0.57 0.00 -3.08 0.00 0.00 56.30 52.07 1wk1 h ASN 139 Cb 1.16 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 37.34 1wk1 h ASN 139 CO 1.14 0.93 0.87 0.28 -2.08 0.00 0.00 177.43 178.57 1wk1 s THR 140 N -2.11 4.44 -0.15 6.14 -1.32 -1.26 -5.02 115.64 116.35 1wk1 s THR 140 Ca -0.16 1.69 -0.08 0.00 -1.21 0.00 0.00 61.69 61.94 1wk1 s THR 140 Cb 0.02 -4.25 -0.04 0.00 -1.51 0.00 0.00 72.50 66.72 1wk1 s THR 140 CO 0.34 -0.32 0.13 -0.51 -2.21 0.00 0.00 174.62 172.05 1wk1 s ILE 141 N 3.63 5.39 -0.67 5.08 2.07 -1.26 -5.03 121.20 130.41 1wk1 s ILE 141 Ca 0.49 0.17 -0.26 0.00 -1.41 0.00 0.00 60.65 59.64 1wk1 s ILE 141 Cb -0.16 -3.39 -0.02 0.00 0.13 0.00 0.00 42.46 39.02 1wk1 s ILE 141 CO 0.14 0.54 1.80 -0.83 -1.91 0.00 0.00 174.94 174.69 1wk1 s GLY 142 N -0.42 0.28 -0.09 1.50 0.00 -1.26 -4.95 107.32 102.38 1wk1 s GLY 142 Ca 0.12 -0.85 -0.30 0.00 0.00 0.00 0.00 44.72 43.69 1wk1 s GLY 142 CO 0.01 3.34 1.31 -0.35 0.00 0.00 0.00 173.10 177.41 1wk1 s ASP 143 N 7.59 6.93 -0.22 1.64 2.15 -1.26 -4.93 116.67 128.56 1wk1 s ASP 143 Ca 0.64 1.86 -0.28 0.00 0.43 0.00 0.00 52.55 55.20 1wk1 s ASP 143 Cb -0.11 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 39.91 1wk1 s ASP 143 CO 0.17 -0.72 2.21 0.00 -0.17 0.00 0.00 175.17 176.66 1wk1 s ALA 144 N 3.01 2.72 0.17 3.66 0.00 -1.26 -4.89 121.76 125.17 1wk1 s ALA 144 Ca 0.59 0.77 -0.24 0.00 0.00 0.00 0.00 51.96 53.07 1wk1 s ALA 144 Cb -0.26 -4.08 0.06 0.00 0.00 0.00 0.00 23.12 18.85 1wk1 s ALA 144 CO 0.20 -2.80 0.89 -1.54 0.00 0.00 0.00 175.76 172.51 1wk1 s SER 145 N 8.28 -0.22 0.00 0.00 1.04 -1.26 -5.17 113.70 116.37 1wk1 s SER 145 Ca 1.00 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.02 1wk1 s SER 145 Cb -0.33 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.33 1wk1 s SER 145 CO 0.35 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1wk1 n GLY 146 N -0.45 2.42 3.77 7.32 0.00 -1.26 -5.05 105.19 111.94 1wk1 n GLY 146 Ca -0.06 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 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 -5.01 3.68 -0.30 1.61 0.04 -1.26 -4.98 135.00 128.79 1wk1 s PRO 147 Ca 0.00 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.49 1wk1 s PRO 147 Cb 0.00 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 32.22 1wk1 s PRO 147 CO 0.00 -0.61 1.15 -1.12 0.04 0.00 0.00 177.00 176.46 1wk1 s SER 148 N -1.44 6.87 -0.66 6.66 0.01 -1.26 -4.99 113.70 118.90 1wk1 s SER 148 Ca 0.65 1.15 -0.15 0.00 1.31 0.00 0.00 55.95 58.91 1wk1 s SER 148 Cb -0.28 -2.54 0.17 0.00 0.21 0.00 0.00 66.02 63.58 1wk1 s SER 148 CO 0.33 -0.92 0.62 -0.44 0.41 0.00 0.00 173.24 173.25 1wk1 s SER 149 N 1.95 6.43 0.00 2.44 0.01 -1.26 -5.35 113.70 117.92 1wk1 s SER 149 Ca 0.49 -2.16 0.15 0.00 1.31 0.00 0.00 55.95 55.74 1wk1 s SER 149 Cb -0.14 -2.21 0.12 0.00 0.21 0.00 0.00 66.02 63.99 1wk1 s SER 149 CO 0.17 -0.75 0.98 0.61 0.41 0.00 0.00 173.24 174.65