#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 6.22 -0.05 1.61 0.15 -1.26 -5.06 113.70 115.31 1wk1 s SER 2 Ca 0.00 -0.16 0.03 0.00 0.70 0.00 0.00 55.95 56.52 1wk1 s SER 2 Cb 0.00 -2.22 0.01 0.00 -1.71 0.00 0.00 66.02 62.10 1wk1 s SER 2 CO 0.00 -0.37 -0.12 -0.55 1.20 0.00 0.00 173.24 173.39 1wk1 s SER 3 N 1.74 1.70 0.00 5.45 0.15 -1.26 -4.82 113.70 116.65 1wk1 s SER 3 Ca 0.14 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.51 1wk1 s SER 3 Cb -0.16 -0.64 0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1wk1 s SER 3 CO 0.12 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.23 1wk1 n GLY 4 N 3.55 4.10 3.57 9.45 0.00 -1.26 -4.96 105.19 119.65 1wk1 n GLY 4 Ca -0.21 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 4.92 -0.76 1.61 0.01 -1.26 -4.88 113.70 113.34 1wk1 s SER 5 Ca 0.00 -1.08 -0.15 0.00 1.31 0.00 0.00 55.95 56.02 1wk1 s SER 5 Cb 0.00 -2.57 0.18 0.00 0.21 0.00 0.00 66.02 63.84 1wk1 s SER 5 CO 0.00 -3.08 0.75 -0.55 0.41 0.00 0.00 173.24 170.77 1wk1 s SER 6 N 7.56 6.58 0.11 2.44 0.15 -1.26 -4.76 113.70 124.52 1wk1 s SER 6 Ca 0.71 -2.33 0.00 0.00 0.70 0.00 0.00 55.95 55.03 1wk1 s SER 6 Cb -0.04 -2.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 1wk1 s SER 6 CO 0.07 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.39 1wk1 n GLY 7 N 4.51 -0.11 3.60 9.45 0.00 -1.26 -5.02 105.19 116.36 1wk1 n GLY 7 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.62 4.74 0.33 1.61 1.01 -1.26 -5.09 120.40 120.12 1wk1 s VAL 8 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 1wk1 s VAL 8 Cb 0.00 -3.16 -0.10 0.00 0.00 0.00 0.00 36.38 33.12 1wk1 s VAL 8 CO 0.00 0.43 0.88 -0.54 0.00 0.00 0.00 175.10 175.87 1wk1 s LYS 9 N 0.66 4.38 0.26 2.72 1.02 -1.26 -5.07 119.74 122.46 1wk1 s LYS 9 Ca 0.04 1.13 0.01 0.00 0.02 0.00 0.00 55.97 57.16 1wk1 s LYS 9 Cb -0.13 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.50 1wk1 s LYS 9 CO 0.02 0.22 0.44 -0.06 -0.92 0.00 0.00 175.35 175.05 1wk1 s PHE 10 N -1.76 3.48 -0.48 3.18 0.08 -1.26 -4.27 117.98 116.95 1wk1 s PHE 10 Ca 0.52 0.26 0.00 0.00 0.12 0.00 0.00 56.93 57.83 1wk1 s PHE 10 Cb -0.15 -1.81 0.00 0.00 -0.57 0.00 0.00 43.02 40.49 1wk1 s PHE 10 CO 0.20 0.30 0.00 1.28 -0.10 0.00 0.00 175.22 176.90 1wk1 n LEU 11 N -1.24 -0.51 -3.90 -0.37 4.77 -0.87 -4.89 117.00 109.98 1wk1 n LEU 11 Ca -0.06 0.35 -0.24 0.00 -0.03 0.00 0.00 56.01 56.04 1wk1 n LEU 11 Cb 0.55 -1.50 -0.17 0.00 -2.33 0.00 0.00 43.42 39.98 1wk1 n LEU 11 CO 0.48 -0.07 -0.43 0.42 -1.33 0.00 0.00 177.39 176.46 1wk1 s THR 12 N -2.24 0.78 -0.24 -5.08 -4.23 -1.26 -5.06 115.64 98.31 1wk1 s THR 12 Ca 0.00 -0.21 -0.28 0.00 -1.18 0.00 0.00 61.69 60.02 1wk1 s THR 12 Cb 0.00 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.99 1wk1 s THR 12 CO 0.00 0.30 2.07 -0.69 -0.54 0.00 0.00 174.62 175.76 1wk1 s VAL 13 N 1.28 3.16 -0.29 2.29 1.01 -1.26 -4.64 120.40 121.95 1wk1 s VAL 13 Ca -0.04 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 1wk1 s VAL 13 Cb -0.14 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 1wk1 s VAL 13 CO -0.02 -0.13 0.61 0.20 0.00 0.00 0.00 175.10 175.76 1wk1 s ASN 14 N 7.37 6.51 0.27 3.32 0.01 -1.12 -4.95 114.94 126.34 1wk1 s ASN 14 Ca 0.93 0.50 -0.09 0.00 -0.71 0.00 0.00 52.86 53.49 1wk1 s ASN 14 Cb -0.30 -2.33 0.43 0.00 0.41 0.00 0.00 41.25 39.46 1wk1 s ASN 14 CO 0.35 -0.43 1.57 -0.78 -1.51 0.00 0.00 177.10 176.29 1wk1 h ASP 15 N 8.10 -0.93 0.00 -1.22 3.58 -1.92 -3.36 116.42 120.67 1wk1 h ASP 15 Ca -0.27 0.29 -0.32 0.00 0.42 0.00 0.00 57.03 57.15 1wk1 h ASP 15 Cb 1.12 0.61 -0.06 0.00 1.72 0.00 0.00 39.33 42.72 1wk1 h ASP 15 CO 0.78 -0.32 1.15 0.47 -2.88 0.00 0.00 179.24 178.45 1wk1 n ASP 16 N -5.60 0.15 -4.74 2.28 8.00 -1.26 -4.47 116.55 110.90 1wk1 n ASP 16 Ca 0.15 0.10 -0.40 0.00 0.71 0.00 0.00 54.79 55.35 1wk1 n ASP 16 Cb 0.48 -0.59 -0.05 0.00 -0.02 0.00 0.00 41.12 40.94 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 5.64 4.72 0.03 0.53 -4.36 -1.26 -4.43 121.20 122.07 1wk1 s ILE 17 Ca 0.88 1.66 -0.20 0.00 -0.26 0.00 0.00 60.65 62.73 1wk1 s ILE 17 Cb -0.81 -4.13 0.04 0.00 1.25 0.00 0.00 42.46 38.81 1wk1 s ILE 17 CO 0.32 0.36 0.45 -0.76 0.24 0.00 0.00 174.94 175.55 1wk1 s LEU 18 N -0.03 0.25 0.92 0.37 1.43 -0.23 -4.65 118.68 116.74 1wk1 s LEU 18 Ca 0.39 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.51 1wk1 s LEU 18 Cb -0.21 1.85 0.14 0.00 0.03 0.00 0.00 46.19 48.00 1wk1 s LEU 18 CO 0.23 -0.64 1.10 -0.94 0.23 0.00 0.00 176.35 176.33 1wk1 s SER 19 N -1.82 3.09 0.16 2.29 1.04 -1.26 -2.70 113.70 114.49 1wk1 s SER 19 Ca -0.07 1.84 -0.20 0.00 0.48 0.00 0.00 55.95 58.00 1wk1 s SER 19 Cb -0.01 -2.42 0.07 0.00 0.10 0.00 0.00 66.02 63.75 1wk1 s SER 19 CO -0.00 -2.94 1.64 -0.03 0.98 0.00 0.00 173.24 172.89 1wk1 h MET 20 N -1.75 -0.14 0.00 4.02 4.05 -1.78 0.71 114.93 120.04 1wk1 h MET 20 Ca -0.48 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.95 1wk1 h MET 20 Cb 1.27 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 1wk1 h MET 20 CO 0.48 -0.09 0.00 -0.35 0.23 0.00 0.00 176.91 177.18 1wk1 n PRO 21 N -5.36 0.31 -0.06 0.39 -0.04 -1.26 -2.55 135.00 126.44 1wk1 n PRO 21 Ca 0.01 0.09 -0.06 0.00 -0.04 0.00 0.00 63.50 63.50 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 -1.18 2.06 0.05 0.54 1.13 0.78 -4.36 117.38 116.39 1wk1 n GLN 22 Ca 0.09 -0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.12 1wk1 n GLN 22 Cb 0.10 -1.30 -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 0.57 -0.31 -1.10 -1.58 0.00 0.53 -2.55 119.26 114.82 1wk1 h ALA 23 Ca -0.32 -0.04 0.31 0.00 0.00 0.00 0.00 54.91 54.86 1wk1 h ALA 23 Cb 1.72 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 19.47 1wk1 h ALA 23 CO 0.02 -0.30 0.70 0.07 0.00 0.00 0.00 179.25 179.74 1wk1 h ARG 24 N -0.49 0.32 -0.36 0.00 0.11 -1.75 0.55 114.38 112.75 1wk1 h ARG 24 Ca -0.02 -0.02 -0.14 0.00 0.10 0.00 0.00 59.98 59.91 1wk1 h ARG 24 Cb 0.12 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.12 1wk1 h ARG 24 CO 0.03 0.21 -0.32 -0.97 0.10 0.00 0.00 179.97 179.02 1wk1 h ASN 25 N 0.33 0.84 0.43 0.08 -1.24 -1.76 -3.10 115.58 111.16 1wk1 h ASN 25 Ca 0.66 -0.35 -0.02 0.00 0.71 0.00 0.00 56.30 57.30 1wk1 h ASN 25 Cb 1.75 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 40.57 1wk1 h ASN 25 CO -0.35 1.09 -0.21 0.15 -1.29 0.00 0.00 177.43 176.82 1wk1 h PHE 26 N 0.68 -0.54 -0.95 0.67 3.04 0.50 -3.08 116.94 117.27 1wk1 h PHE 26 Ca 0.07 -0.01 0.40 0.00 3.98 0.00 0.00 57.97 62.41 1wk1 h PHE 26 Cb 0.86 0.18 -0.17 0.00 2.56 0.00 0.00 35.95 39.38 1wk1 h PHE 26 CO 0.05 -0.33 0.51 0.00 -2.02 0.00 0.00 178.31 176.52 1wk1 h ALA 28 N 1.87 0.53 -0.75 0.00 0.00 -1.32 0.27 119.26 119.86 1wk1 h ALA 28 Ca 0.80 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.69 1wk1 h ALA 28 Cb 2.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.76 1wk1 h ALA 28 CO -0.72 -0.07 0.41 0.77 0.00 0.00 0.00 179.25 179.64 1wk1 h SER 29 N 0.50 0.93 -0.43 0.00 0.02 0.14 -2.81 113.55 111.91 1wk1 h SER 29 Ca 0.16 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 1wk1 h SER 29 Cb 0.00 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 1wk1 h SER 29 CO -0.07 0.75 0.01 0.00 -1.14 0.00 0.00 176.83 176.38 1wk1 h ALA 30 N 1.21 0.57 0.00 3.77 0.00 -1.00 -3.47 119.26 120.35 1wk1 h ALA 30 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wk1 h ALA 30 Cb 0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1wk1 h ALA 30 CO -0.04 0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.97 1wk1 n GLY 31 N -0.39 0.40 0.00 0.00 0.00 0.08 -5.00 105.19 100.29 1wk1 n GLY 31 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.90 3.29 -0.02 0.00 0.74 -4.70 105.19 106.40 1wk1 n GLY 32 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 -7.83 -0.19 0.05 1.61 -0.85 0.67 -2.03 117.35 108.78 1wk1 s TYR 33 Ca 0.00 0.09 -0.37 0.00 -0.52 0.00 0.00 57.07 56.27 1wk1 s TYR 33 Cb 0.00 0.16 -0.19 0.00 0.38 0.00 0.00 41.96 42.31 1wk1 s TYR 33 CO 0.00 -0.55 1.02 1.28 -1.52 0.00 0.00 175.55 175.79 1wk1 n LEU 34 N 0.50 0.08 -4.61 -3.49 4.77 -1.26 -0.44 117.00 112.54 1wk1 n LEU 34 Ca -0.18 1.15 -0.43 0.00 -0.03 0.00 0.00 56.01 56.52 1wk1 n LEU 34 Cb 0.60 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1wk1 n LEU 34 CO 0.20 -1.94 0.85 0.00 -1.33 0.00 0.00 177.39 175.18 1wk1 s ALA 35 N -0.11 3.37 1.15 -1.18 0.00 -0.31 -4.48 121.76 120.20 1wk1 s ALA 35 Ca 0.85 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 52.30 1wk1 s ALA 35 Cb -1.16 -3.64 0.27 0.00 0.00 0.00 0.00 23.12 18.59 1wk1 s ALA 35 CO 0.56 -1.72 1.04 -0.51 0.00 0.00 0.00 175.76 175.12 1wk1 s ASP 36 N 1.95 1.20 -0.47 0.00 1.01 -1.26 -3.41 116.67 115.69 1wk1 s ASP 36 Ca 0.42 1.38 0.06 0.00 0.71 0.00 0.00 52.55 55.12 1wk1 s ASP 36 Cb -0.11 -2.14 0.23 0.00 1.01 0.00 0.00 42.92 41.90 1wk1 s ASP 36 CO 0.21 -4.04 0.52 0.47 0.21 0.00 0.00 175.17 172.54 1wk1 n ASP 37 N -4.80 0.98 -3.91 0.27 9.92 -1.26 -4.84 116.55 112.91 1wk1 n ASP 37 Ca 0.03 -2.82 -0.30 0.00 -0.53 0.00 0.00 54.79 51.17 1wk1 n ASP 37 Cb 0.55 -0.64 -0.15 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 -1.19 3.92 0.00 0.64 2.34 -1.26 -4.84 118.68 118.29 1wk1 s LEU 38 Ca 0.35 -2.22 0.00 0.00 0.06 0.00 0.00 54.13 52.31 1wk1 s LEU 38 Cb 0.12 -1.40 0.00 0.00 -0.56 0.00 0.00 46.19 44.35 1wk1 s LEU 38 CO -0.12 -0.35 0.00 0.61 -1.06 0.00 0.00 176.35 175.43 1wk1 n GLY 39 N 4.14 3.67 0.36 -3.48 0.00 -1.26 -4.78 105.19 103.83 1wk1 n GLY 39 Ca 0.03 -0.56 0.33 0.00 0.00 0.00 0.00 46.02 45.82 1wk1 n GLY 39 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1wk1 h ASP 40 N 0.00 0.32 -0.52 1.61 3.32 -1.98 1.67 116.42 120.84 1wk1 h ASP 40 Ca 0.00 0.22 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 1wk1 h ASP 40 Cb 0.00 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1wk1 h ASP 40 CO 0.00 -0.34 0.07 -0.78 -1.72 0.00 0.00 179.24 176.47 1wk1 h ASP 41 N 0.06 0.88 0.34 6.45 1.82 -1.97 0.32 116.42 124.31 1wk1 h ASP 41 Ca 0.84 -0.20 -0.27 0.00 -0.39 0.00 0.00 57.03 57.00 1wk1 h ASP 41 Cb 2.29 -0.23 0.01 0.00 0.68 0.00 0.00 39.33 42.09 1wk1 h ASP 41 CO -0.66 0.90 -1.17 0.50 -1.61 0.00 0.00 179.24 177.20 1wk1 h LYS 42 N 0.87 0.46 0.24 0.28 1.63 0.20 -2.56 116.57 117.68 1wk1 h LYS 42 Ca 0.17 -0.62 -0.01 0.00 -0.85 0.00 0.00 60.65 59.35 1wk1 h LYS 42 Cb 0.41 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1wk1 h LYS 42 CO 0.01 1.26 -0.12 -0.97 -3.45 0.00 0.00 179.45 176.18 1wk1 h ASN 43 N 0.20 -0.27 0.09 4.20 -1.24 -0.37 -2.40 115.58 115.79 1wk1 h ASN 43 Ca -0.14 -0.24 -0.00 0.00 0.71 0.00 0.00 56.30 56.62 1wk1 h ASN 43 Cb 1.84 0.07 -0.00 0.00 0.73 0.00 0.00 38.32 40.96 1wk1 h ASN 43 CO 0.21 0.22 -0.02 -0.55 -1.29 0.00 0.00 177.43 176.00 1wk1 h ASN 44 N -0.90 0.00 -0.02 1.15 7.08 -0.52 -2.34 115.58 120.03 1wk1 h ASN 44 Ca -0.03 0.00 -0.07 0.00 -3.08 0.00 0.00 56.30 53.12 1wk1 h ASN 44 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.75 1wk1 h ASN 44 CO 0.05 0.02 -0.26 0.15 -2.08 0.00 0.00 177.43 175.31 1wk1 h PHE 45 N 0.00 0.31 0.13 4.14 3.57 -1.43 -3.33 116.94 120.33 1wk1 h PHE 45 Ca -0.00 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.36 1wk1 h PHE 45 Cb 0.07 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1wk1 h PHE 45 CO 0.00 0.91 -0.16 1.88 -2.23 0.00 0.00 178.31 178.71 1wk1 h TYR 46 N -0.39 -0.42 -1.07 0.41 0.05 -0.90 -2.23 116.97 112.43 1wk1 h TYR 46 Ca -0.03 0.00 0.38 0.00 0.05 0.00 0.00 58.73 59.14 1wk1 h TYR 46 Cb 0.97 0.17 -0.12 0.00 1.01 0.00 0.00 36.73 38.76 1wk1 h TYR 46 CO 0.16 -0.24 0.67 0.45 -1.05 0.00 0.00 178.16 178.15 1wk1 n SER 47 N -5.29 0.19 0.33 3.88 2.88 -1.03 0.76 113.62 115.34 1wk1 n SER 47 Ca -0.07 1.16 -0.13 0.00 -1.33 0.00 0.00 58.87 58.50 1wk1 n SER 47 Cb 0.20 -0.57 -0.06 0.00 -0.75 0.00 0.00 64.21 63.03 1wk1 n SER 47 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1wk1 h SER 48 N 0.00 -0.71 0.75 -3.46 0.87 -1.53 -2.75 113.55 106.73 1wk1 h SER 48 Ca 0.71 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.30 1wk1 h SER 48 Cb 2.23 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 64.37 1wk1 h SER 48 CO -0.42 -0.49 0.00 2.30 -0.53 0.00 0.00 176.83 177.69 1wk1 n ILE 49 N -4.32 0.78 -0.60 2.23 -5.35 0.96 -2.50 119.36 110.56 1wk1 n ILE 49 Ca -0.10 0.16 -0.04 0.00 -0.27 0.00 0.00 62.75 62.50 1wk1 n ILE 49 Cb 0.33 -0.97 0.26 0.00 -1.74 0.00 0.00 39.64 37.51 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 -1.65 4.11 -1.53 -1.28 0.00 0.23 -4.86 120.51 115.54 1wk1 n ALA 50 Ca 0.03 -1.81 -0.21 0.00 0.00 0.00 0.00 53.44 51.46 1wk1 n ALA 50 Cb 0.24 -1.20 -0.15 0.00 0.00 0.00 0.00 19.45 18.35 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 0.01 0.73 -3.41 0.00 0.00 -1.04 -0.50 120.51 116.31 1wk1 n ALA 51 Ca 0.31 -1.01 -0.20 0.00 0.00 0.00 0.00 53.44 52.55 1wk1 n ALA 51 Cb 1.16 -2.79 0.07 0.00 0.00 0.00 0.00 19.45 17.89 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 11.80 -5.74 -4.07 0.00 3.02 -1.26 -5.01 115.26 114.00 1wk1 n ASN 52 Ca 0.58 -0.45 -0.23 0.00 -0.03 0.00 0.00 54.58 54.44 1wk1 n ASN 52 Cb 0.27 -4.36 -0.16 0.00 -0.61 0.00 0.00 39.78 34.92 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 -3.26 1.13 -0.28 3.41 2.01 0.35 -4.70 115.64 114.29 1wk1 s THR 53 Ca 0.49 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 61.89 1wk1 s THR 53 Cb -0.22 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.32 1wk1 s THR 53 CO 0.60 0.34 0.05 -1.10 -0.69 0.00 0.00 174.62 173.82 1wk1 s GLN 54 N 0.17 3.07 0.25 4.92 -0.21 -1.26 -2.39 119.66 124.21 1wk1 s GLN 54 Ca -0.05 -0.86 0.03 0.00 0.02 0.00 0.00 55.36 54.50 1wk1 s GLN 54 Cb -0.11 -3.28 -0.05 0.00 1.00 0.00 0.00 33.01 30.57 1wk1 s GLN 54 CO 0.02 -0.42 0.02 -0.59 -2.12 0.00 0.00 175.29 172.20 1wk1 s PHE 55 N 1.47 1.64 0.71 0.91 -0.71 -1.01 -3.91 117.98 117.08 1wk1 s PHE 55 Ca 0.02 -0.96 -0.11 0.00 -1.04 0.00 0.00 56.93 54.84 1wk1 s PHE 55 Cb -0.17 -0.98 0.02 0.00 -1.21 0.00 0.00 43.02 40.69 1wk1 s PHE 55 CO 0.01 -0.07 1.09 -1.58 -1.34 0.00 0.00 175.22 173.33 1wk1 s TRP 56 N -3.44 3.26 0.28 3.49 0.52 0.13 0.12 118.94 123.30 1wk1 s TRP 56 Ca 0.31 0.95 0.02 0.00 0.02 0.00 0.00 56.10 57.40 1wk1 s TRP 56 Cb 0.07 -3.10 -0.03 0.00 -1.15 0.00 0.00 33.47 29.26 1wk1 s TRP 56 CO 0.11 -1.23 0.27 0.96 0.02 0.00 0.00 176.95 177.08 1wk1 s ILE 57 N -3.35 0.00 -0.14 2.03 -4.36 -1.22 -4.25 121.20 109.91 1wk1 s ILE 57 Ca 0.58 -1.89 0.29 0.00 -0.26 0.00 0.00 60.65 59.36 1wk1 s ILE 57 Cb -0.11 -2.50 0.31 0.00 1.25 0.00 0.00 42.46 41.41 1wk1 s ILE 57 CO 0.51 0.00 1.86 1.23 0.24 0.00 0.00 174.94 178.77 1wk1 h GLY 58 N 2.30 0.00 -5.21 6.27 0.00 -1.78 -3.43 103.07 101.23 1wk1 h GLY 58 Ca -0.29 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.47 1wk1 h GLY 58 CO 0.42 0.00 0.91 -2.27 0.00 0.00 0.00 176.54 175.60 1wk1 s LEU 59 N -5.18 4.16 -0.08 3.11 2.96 -1.26 -0.69 118.68 121.69 1wk1 s LEU 59 Ca 0.01 1.66 -0.16 0.00 -0.22 0.00 0.00 54.13 55.42 1wk1 s LEU 59 Cb 0.09 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.28 1wk1 s LEU 59 CO 0.41 -0.79 0.40 0.72 -1.32 0.00 0.00 176.35 175.77 1wk1 s PHE 60 N 3.58 -0.36 0.40 5.38 -0.12 -0.78 -2.71 117.98 123.38 1wk1 s PHE 60 Ca 0.55 0.75 -0.23 0.00 -0.05 0.00 0.00 56.93 57.95 1wk1 s PHE 60 Cb -0.21 0.16 -0.09 0.00 -0.63 0.00 0.00 43.02 42.24 1wk1 s PHE 60 CO 0.15 -0.33 1.01 0.21 -0.05 0.00 0.00 175.22 176.21 1wk1 s LYS 61 N -0.60 4.20 0.55 1.99 2.20 -0.59 -0.53 119.74 126.96 1wk1 s LYS 61 Ca -0.07 1.38 0.05 0.00 -0.36 0.00 0.00 55.97 56.97 1wk1 s LYS 61 Cb -0.04 -2.45 0.05 0.00 -1.51 0.00 0.00 37.83 33.89 1wk1 s LYS 61 CO 0.03 -0.09 0.46 -1.71 -0.36 0.00 0.00 175.35 173.68 1wk1 n ASN 62 N -0.21 2.69 0.35 1.43 5.15 0.12 -4.80 115.26 119.99 1wk1 n ASN 62 Ca 0.06 -2.86 -0.19 0.00 -0.60 0.00 0.00 54.58 50.99 1wk1 n ASN 62 Cb 0.51 -0.09 -0.10 0.00 -0.53 0.00 0.00 39.78 39.58 1wk1 n ASN 62 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1wk1 h SER 63 N 0.59 -1.26 -0.89 1.20 0.02 -1.98 -2.57 113.55 108.66 1wk1 h SER 63 Ca -0.34 0.09 0.24 0.00 -0.84 0.00 0.00 61.79 60.94 1wk1 h SER 63 Cb 1.27 0.40 -0.15 0.00 0.14 0.00 0.00 62.40 64.06 1wk1 h SER 63 CO 0.53 -0.68 0.21 0.44 -1.14 0.00 0.00 176.83 176.19 1wk1 h ASP 64 N -1.06 -0.06 0.00 3.07 3.32 -2.04 -3.44 116.42 116.21 1wk1 h ASP 64 Ca -0.08 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1wk1 h ASP 64 Cb 0.89 0.30 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1wk1 h ASP 64 CO 0.01 -0.19 0.00 0.61 -1.72 0.00 0.00 179.24 177.95 1wk1 n GLY 65 N -1.39 0.40 3.95 2.75 0.00 -0.97 -5.14 105.19 104.79 1wk1 n GLY 65 Ca 0.22 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 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 3.31 -0.24 1.61 -0.21 -1.26 -4.78 119.66 118.09 1wk1 s GLN 66 Ca 0.00 -0.85 -0.12 0.00 0.02 0.00 0.00 55.36 54.42 1wk1 s GLN 66 Cb 0.00 -2.83 -0.05 0.00 1.00 0.00 0.00 33.01 31.13 1wk1 s GLN 66 CO 0.00 0.37 0.22 -0.06 -2.12 0.00 0.00 175.29 173.70 1wk1 s PHE 67 N -2.03 3.31 0.55 0.91 0.08 -1.26 0.13 117.98 119.65 1wk1 s PHE 67 Ca 0.36 0.29 0.03 0.00 0.12 0.00 0.00 56.93 57.73 1wk1 s PHE 67 Cb -0.09 -2.35 0.03 0.00 -0.57 0.00 0.00 43.02 40.04 1wk1 s PHE 67 CO 0.29 0.00 0.27 0.71 -0.10 0.00 0.00 175.22 176.39 1wk1 s TYR 68 N 1.27 1.61 -0.04 0.36 1.51 0.31 -1.18 117.35 121.18 1wk1 s TYR 68 Ca 0.10 -0.92 0.06 0.00 -1.01 0.00 0.00 57.07 55.30 1wk1 s TYR 68 Cb -0.14 -1.79 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1wk1 s TYR 68 CO 0.06 -0.27 -0.20 -1.58 -1.11 0.00 0.00 175.55 172.45 1wk1 s TRP 69 N -2.83 2.51 -0.43 2.71 0.52 0.07 -1.87 118.94 119.62 1wk1 s TRP 69 Ca 0.22 -0.33 -0.28 0.00 0.02 0.00 0.00 56.10 55.73 1wk1 s TRP 69 Cb -0.01 -1.57 -0.01 0.00 -1.15 0.00 0.00 33.47 30.73 1wk1 s TRP 69 CO 0.14 0.05 1.66 0.34 0.02 0.00 0.00 176.95 179.16 1wk1 s ASP 70 N -0.63 5.94 -0.20 2.95 -1.08 0.13 -3.25 116.67 120.53 1wk1 s ASP 70 Ca 0.10 0.89 0.15 0.00 -0.52 0.00 0.00 52.55 53.17 1wk1 s ASP 70 Cb -0.11 -2.53 0.71 0.00 -1.46 0.00 0.00 42.92 39.53 1wk1 s ASP 70 CO 0.00 -1.75 1.63 0.54 0.52 0.00 0.00 175.17 176.11 1wk1 n ARG 71 N 8.49 4.12 0.00 4.34 5.12 -1.26 -4.61 116.66 132.85 1wk1 n ARG 71 Ca 0.19 -3.00 0.00 0.00 -1.93 0.00 0.00 57.85 53.11 1wk1 n ARG 71 Cb 0.48 -2.06 0.00 0.00 -1.16 0.00 0.00 32.46 29.72 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 0.37 0.03 3.56 -0.13 0.00 -1.26 -4.70 105.19 103.07 1wk1 n GLY 72 Ca 0.25 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 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 3.64 0.00 1.61 0.74 -1.26 -4.28 119.66 120.10 1wk1 s GLN 73 Ca 0.00 -0.04 0.00 0.00 0.05 0.00 0.00 55.36 55.37 1wk1 s GLN 73 Cb 0.00 -3.82 0.00 0.00 1.10 0.00 0.00 33.01 30.29 1wk1 s GLN 73 CO 0.00 -0.72 0.00 0.41 -0.55 0.00 0.00 175.29 174.43 1wk1 n GLY 74 N 4.73 1.61 3.52 2.59 0.00 -1.26 -4.99 105.19 111.39 1wk1 n GLY 74 Ca -0.02 -0.23 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 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 1.96 -1.72 -0.61 2.08 -1.26 -4.80 119.36 115.01 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 -0.69 -0.03 0.00 -0.75 0.00 0.00 39.64 38.17 1wk1 n ILE 75 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1wk1 s ASN 76 N -0.77 6.45 1.17 4.38 2.20 -1.26 -4.73 114.94 122.38 1wk1 s ASN 76 Ca 0.61 2.58 -0.18 0.00 -0.94 0.00 0.00 52.86 54.93 1wk1 s ASN 76 Cb -0.70 -2.53 0.27 0.00 -2.00 0.00 0.00 41.25 36.29 1wk1 s ASN 76 CO 0.58 -1.07 1.11 -2.16 -2.94 0.00 0.00 177.10 172.63 1wk1 s PRO 77 N 4.46 -0.98 0.01 3.55 0.04 -1.26 -4.78 135.00 136.04 1wk1 s PRO 77 Ca 0.87 0.02 0.07 0.00 0.04 0.00 0.00 61.00 61.99 1wk1 s PRO 77 Cb -0.41 -1.62 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1wk1 s PRO 77 CO 0.40 -3.57 -0.20 0.34 0.04 0.00 0.00 177.00 174.01 1wk1 s ASP 78 N -3.82 3.57 -0.25 6.66 -1.08 -1.20 -4.91 116.67 115.64 1wk1 s ASP 78 Ca 0.70 -0.41 -0.24 0.00 -0.52 0.00 0.00 52.55 52.08 1wk1 s ASP 78 Cb -0.11 -0.55 -0.01 0.00 -1.46 0.00 0.00 42.92 40.79 1wk1 s ASP 78 CO 0.56 0.29 0.80 -0.22 0.52 0.00 0.00 175.17 177.13 1wk1 s LEU 79 N -1.04 4.08 -0.79 -1.34 1.98 -1.26 -0.75 118.68 119.55 1wk1 s LEU 79 Ca 0.12 0.98 -0.24 0.00 -2.89 0.00 0.00 54.13 52.10 1wk1 s LEU 79 Cb -0.10 -3.14 -0.18 0.00 0.66 0.00 0.00 46.19 43.43 1wk1 s LEU 79 CO 0.02 -0.50 2.43 -0.11 -1.89 0.00 0.00 176.35 176.31 1wk1 n LEU 80 N 5.97 0.95 -1.22 -0.68 7.94 -0.33 -4.72 117.00 124.92 1wk1 n LEU 80 Ca 0.05 -0.61 -0.07 0.00 -1.11 0.00 0.00 56.01 54.27 1wk1 n LEU 80 Cb 0.48 -1.24 0.13 0.00 0.53 0.00 0.00 43.42 43.32 1wk1 n LEU 80 CO 0.47 -1.62 0.34 -3.20 -1.11 0.00 0.00 177.39 172.27 1wk1 n ASN 81 N 13.31 3.12 -4.84 1.96 2.85 -1.26 -4.95 115.26 125.45 1wk1 n ASN 81 Ca 0.53 -3.84 -0.38 0.00 -0.11 0.00 0.00 54.58 50.78 1wk1 n ASN 81 Cb 0.31 -0.48 -0.06 0.00 1.24 0.00 0.00 39.78 40.80 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 -3.39 3.92 0.31 1.20 -2.07 -1.26 -4.99 119.66 113.38 1wk1 s GLN 82 Ca 0.44 0.42 0.09 0.00 -1.82 0.00 0.00 55.36 54.50 1wk1 s GLN 82 Cb 0.39 -3.22 0.49 0.00 -1.09 0.00 0.00 33.01 29.58 1wk1 s GLN 82 CO -0.02 0.69 1.70 -1.00 -1.32 0.00 0.00 175.29 175.34 1wk1 h PRO 83 N 4.70 0.10 -5.79 9.60 0.13 -2.03 -3.43 132.00 135.28 1wk1 h PRO 83 Ca -0.52 -0.05 -0.64 0.00 -0.87 0.00 0.00 66.00 63.92 1wk1 h PRO 83 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 1wk1 h PRO 83 CO 0.61 0.56 -0.36 0.42 -0.23 0.00 0.00 178.00 179.00 1wk1 s ILE 84 N -3.97 5.31 0.16 -3.56 1.01 -1.26 -5.10 121.20 113.80 1wk1 s ILE 84 Ca -0.03 0.47 -0.00 0.00 0.00 0.00 0.00 60.65 61.09 1wk1 s ILE 84 Cb 0.13 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1wk1 s ILE 84 CO 0.76 0.60 0.07 0.42 0.00 0.00 0.00 174.94 176.78 1wk1 s THR 85 N -1.02 0.21 0.00 2.92 -4.23 -1.26 -4.95 115.64 107.31 1wk1 s THR 85 Ca 0.19 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1wk1 s THR 85 Cb -0.14 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1wk1 s THR 85 CO 0.08 -0.32 0.85 -1.22 -0.54 0.00 0.00 174.62 173.47 1wk1 n TYR 86 N -0.19 0.00 -1.55 3.99 4.01 -1.26 -5.05 117.16 117.11 1wk1 n TYR 86 Ca -0.03 -0.36 -0.60 0.00 -0.16 0.00 0.00 57.90 56.74 1wk1 n TYR 86 Cb 0.64 -0.04 -0.09 0.00 -0.31 0.00 0.00 39.34 39.55 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 -0.36 1.38 -0.22 -0.72 5.03 -1.26 -3.16 117.44 118.13 1wk1 n TRP 87 Ca 0.00 1.03 -0.24 0.00 3.03 0.00 0.00 57.50 61.33 1wk1 n TRP 87 Cb 0.23 -2.01 0.23 0.00 -1.03 0.00 0.00 31.31 28.73 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 3.15 -4.01 -1.70 6.99 0.00 0.36 -4.68 120.51 120.62 1wk1 n ALA 88 Ca 0.26 -1.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.07 1wk1 n ALA 88 Cb -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 1wk1 n ALA 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wk1 s ASN 89 N -2.91 5.67 0.00 0.00 2.20 -1.26 -0.96 114.94 117.67 1wk1 s ASN 89 Ca 0.52 1.86 0.00 0.00 -0.94 0.00 0.00 52.86 54.30 1wk1 s ASN 89 Cb -0.09 -2.52 0.00 0.00 -2.00 0.00 0.00 41.25 36.64 1wk1 s ASN 89 CO 0.44 -1.80 0.00 0.61 -2.94 0.00 0.00 177.10 173.41 1wk1 n GLY 90 N 5.53 0.57 3.92 0.45 0.00 -1.26 -5.04 105.19 109.36 1wk1 n GLY 90 Ca 0.27 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.69 3.32 0.57 1.61 0.41 -0.14 -3.97 118.70 119.81 1wk1 s GLU 91 Ca 0.00 -0.71 -0.18 0.00 -0.41 0.00 0.00 54.97 53.67 1wk1 s GLU 91 Cb 0.00 -2.87 -0.04 0.00 -1.78 0.00 0.00 34.13 29.43 1wk1 s GLU 91 CO 0.00 0.49 1.12 -1.25 -0.49 0.00 0.00 175.26 175.13 1wk1 s PRO 92 N -3.41 3.22 1.19 0.39 0.04 -1.26 -4.64 135.00 130.53 1wk1 s PRO 92 Ca 0.34 1.56 -0.18 0.00 0.04 0.00 0.00 61.00 62.76 1wk1 s PRO 92 Cb -0.10 -1.99 0.25 0.00 0.04 0.00 0.00 34.50 32.70 1wk1 s PRO 92 CO 0.28 -0.94 0.55 0.45 0.04 0.00 0.00 177.00 177.38 1wk1 n SER 93 N -1.57 -3.36 0.00 6.66 2.88 -1.25 -4.98 113.62 112.00 1wk1 n SER 93 Ca 0.11 -0.55 0.00 0.00 -1.33 0.00 0.00 58.87 57.11 1wk1 n SER 93 Cb 0.51 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1wk1 n SER 93 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1wk1 n ASN 94 N -3.12 1.39 -4.75 -3.46 0.23 -1.26 -5.04 115.26 99.24 1wk1 n ASN 94 Ca 0.08 -0.31 -0.41 0.00 -0.53 0.00 0.00 54.58 53.40 1wk1 n ASN 94 Cb 0.46 0.91 -0.02 0.00 -2.08 0.00 0.00 39.78 39.05 1wk1 n ASN 94 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1wk1 s ASP 95 N -1.19 6.49 0.48 0.53 -1.08 -1.26 -4.89 116.67 115.75 1wk1 s ASP 95 Ca 0.00 2.84 0.32 0.00 -0.52 0.00 0.00 52.55 55.19 1wk1 s ASP 95 Cb 0.00 -2.63 1.31 0.00 -1.46 0.00 0.00 42.92 40.14 1wk1 s ASP 95 CO 0.00 -0.81 1.93 1.55 0.52 0.00 0.00 175.17 178.36 1wk1 h PRO 96 N 4.68 0.00 -0.12 4.34 0.13 -2.05 -3.08 132.00 135.90 1wk1 h PRO 96 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1wk1 h PRO 96 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1wk1 h PRO 96 CO 0.77 0.00 -0.42 1.79 -0.23 0.00 0.00 178.00 179.91 1wk1 h THR 97 N 0.00 1.37 -3.47 1.56 1.35 -2.00 -3.42 112.91 108.30 1wk1 h THR 97 Ca 0.00 -1.72 -0.61 0.00 -0.55 0.00 0.00 66.41 63.53 1wk1 h THR 97 Cb 0.45 2.12 -0.11 0.00 -1.73 0.00 0.00 68.15 68.88 1wk1 h THR 97 CO 0.00 0.52 0.32 -0.13 -0.25 0.00 0.00 175.52 175.98 1wk1 s ARG 98 N -3.80 3.91 0.00 4.72 0.52 -1.16 -4.24 118.95 118.89 1wk1 s ARG 98 Ca -0.13 0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.54 1wk1 s ARG 98 Cb 0.06 -3.74 0.00 0.00 0.52 0.00 0.00 34.95 31.79 1wk1 s ARG 98 CO 0.81 -0.67 0.00 1.04 0.02 0.00 0.00 175.30 176.50 1wk1 n GLN 99 N 6.14 0.00 -2.11 3.54 6.02 -1.20 -4.70 117.38 125.07 1wk1 n GLN 99 Ca 0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.72 1wk1 n GLN 99 Cb 0.48 -0.92 0.01 0.00 1.02 0.00 0.00 30.24 30.84 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 -3.06 2.26 -0.02 0.00 1.01 -1.10 -0.08 120.40 119.41 1wk1 s VAL 101 Ca 0.53 -1.34 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1wk1 s VAL 101 Cb -0.11 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1wk1 s VAL 101 CO 0.51 0.37 -0.07 -0.72 0.00 0.00 0.00 175.10 175.19 1wk1 s TYR 102 N -0.82 0.73 -0.48 5.22 1.13 -0.42 -3.44 117.35 119.27 1wk1 s TYR 102 Ca 0.12 -0.16 -0.26 0.00 -1.41 0.00 0.00 57.07 55.36 1wk1 s TYR 102 Cb -0.10 -0.52 -0.06 0.00 -1.10 0.00 0.00 41.96 40.18 1wk1 s TYR 102 CO 0.02 -0.06 2.28 0.12 -2.51 0.00 0.00 175.55 175.40 1wk1 s PHE 103 N 0.12 1.20 -0.94 -3.49 2.19 0.33 -3.41 117.98 113.98 1wk1 s PHE 103 Ca -0.01 1.31 -0.21 0.00 0.33 0.00 0.00 56.93 58.34 1wk1 s PHE 103 Cb -0.06 -3.72 0.08 0.00 -1.31 0.00 0.00 43.02 38.01 1wk1 s PHE 103 CO -0.00 -2.68 1.27 0.34 1.83 0.00 0.00 175.22 175.99 1wk1 s ASP 104 N 10.94 6.52 0.24 6.13 -1.08 0.95 -2.40 116.67 137.96 1wk1 s ASP 104 Ca 0.92 -1.63 0.02 0.00 -0.52 0.00 0.00 52.55 51.35 1wk1 s ASP 104 Cb -0.18 -2.49 0.25 0.00 -1.46 0.00 0.00 42.92 39.05 1wk1 s ASP 104 CO 0.26 -1.33 1.59 1.23 0.52 0.00 0.00 175.17 177.44 1wk1 h GLY 105 N 11.70 0.43 -2.23 2.66 0.00 -1.71 -2.90 103.07 111.01 1wk1 h GLY 105 Ca 0.13 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1wk1 h GLY 105 CO 1.27 0.42 0.11 0.54 0.00 0.00 0.00 176.54 178.88 1wk1 n ARG 106 N -3.96 1.74 -0.10 4.80 1.74 -1.26 -4.16 116.66 115.46 1wk1 n ARG 106 Ca -0.02 -0.93 0.01 0.00 -0.77 0.00 0.00 57.85 56.14 1wk1 n ARG 106 Cb 0.56 -1.53 0.06 0.00 -1.02 0.00 0.00 32.46 30.53 1wk1 n ARG 106 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wk1 n SER 107 N 0.09 1.20 0.00 0.55 2.88 -1.09 -4.85 113.62 112.40 1wk1 n SER 107 Ca 0.14 -2.08 0.00 0.00 -1.33 0.00 0.00 58.87 55.60 1wk1 n SER 107 Cb 0.71 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.36 2.39 3.30 0.46 0.00 -1.26 -4.90 105.19 105.55 1wk1 n GLY 108 Ca 0.04 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1wk1 n GLY 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wk1 s ASP 109 N 0.07 0.82 -0.02 1.61 1.01 -1.26 -5.06 116.67 113.84 1wk1 s ASP 109 Ca 0.00 -1.51 0.21 0.00 0.71 0.00 0.00 52.55 51.96 1wk1 s ASP 109 Cb 0.00 0.50 -0.31 0.00 1.01 0.00 0.00 42.92 44.12 1wk1 s ASP 109 CO 0.00 -1.00 0.54 2.29 0.21 0.00 0.00 175.17 177.20 1wk1 n LYS 110 N -0.45 0.57 0.18 8.23 2.85 -1.26 -4.22 118.16 124.06 1wk1 n LYS 110 Ca 0.04 -0.16 0.12 0.00 -1.05 0.00 0.00 58.31 57.27 1wk1 n LYS 110 Cb 0.64 -1.49 0.24 0.00 -0.65 0.00 0.00 35.03 33.77 1wk1 n LYS 110 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1wk1 h SER 111 N 0.00 0.00 -0.87 -5.58 4.64 -1.97 -3.28 113.55 106.50 1wk1 h SER 111 Ca 0.00 -0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1wk1 h SER 111 Cb 0.87 0.00 -0.43 0.00 -0.31 0.00 0.00 62.40 62.53 1wk1 h SER 111 CO 0.00 0.00 -0.77 0.29 -0.87 0.00 0.00 176.83 175.48 1wk1 n LYS 112 N -2.84 3.57 0.06 4.77 5.02 -1.25 -4.35 118.16 123.13 1wk1 n LYS 112 Ca 0.04 -4.20 -0.04 0.00 -2.02 0.00 0.00 58.31 52.10 1wk1 n LYS 112 Cb 0.50 -2.28 -0.08 0.00 -0.02 0.00 0.00 35.03 33.15 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 2.21 1.16 -2.13 -0.18 -1.51 -1.63 -3.39 116.25 110.79 1wk1 h VAL 113 Ca 0.37 -2.79 -0.53 0.00 -1.23 0.00 0.00 66.70 62.52 1wk1 h VAL 113 Cb 1.43 2.54 -0.02 0.00 -2.13 0.00 0.00 31.29 33.12 1wk1 h VAL 113 CO 0.79 0.66 1.40 0.26 -1.23 0.00 0.00 177.57 179.46 1wk1 s TRP 114 N -2.78 1.53 -0.03 5.19 0.52 -1.19 -0.04 118.94 122.15 1wk1 s TRP 114 Ca 0.00 0.88 0.02 0.00 0.02 0.00 0.00 56.10 57.02 1wk1 s TRP 114 Cb 0.09 -3.98 0.01 0.00 -1.15 0.00 0.00 33.47 28.44 1wk1 s TRP 114 CO 0.80 -2.74 -0.07 0.99 0.02 0.00 0.00 176.95 175.94 1wk1 s THR 115 N 8.96 0.67 0.33 2.01 2.01 -1.22 -0.48 115.64 127.92 1wk1 s THR 115 Ca 0.81 -0.28 -0.18 0.00 0.31 0.00 0.00 61.69 62.35 1wk1 s THR 115 Cb -0.19 -0.61 -0.09 0.00 0.01 0.00 0.00 72.50 71.61 1wk1 s THR 115 CO 0.27 0.22 0.81 0.42 -0.69 0.00 0.00 174.62 175.65 1wk1 s THR 116 N 0.31 4.55 0.10 -0.82 -4.23 -1.26 -1.30 115.64 112.99 1wk1 s THR 116 Ca -0.04 1.21 -0.25 0.00 -1.18 0.00 0.00 61.69 61.43 1wk1 s THR 116 Cb -0.09 -3.68 0.08 0.00 1.34 0.00 0.00 72.50 70.15 1wk1 s THR 116 CO 0.00 -0.13 0.78 -0.62 -0.54 0.00 0.00 174.62 174.11 1wk1 s ASP 117 N -2.09 -0.40 0.50 3.99 2.15 0.89 -4.93 116.67 116.77 1wk1 s ASP 117 Ca 0.54 -0.11 -0.22 0.00 0.43 0.00 0.00 52.55 53.19 1wk1 s ASP 117 Cb -0.12 0.51 -0.08 0.00 -0.30 0.00 0.00 42.92 42.93 1wk1 s ASP 117 CO 0.17 -0.85 1.01 1.07 -0.17 0.00 0.00 175.17 176.40 1wk1 n THR 118 N -0.34 2.94 0.11 1.71 5.66 -1.26 -2.71 114.28 120.39 1wk1 n THR 118 Ca -0.11 -0.50 -0.09 0.00 -3.05 0.00 0.00 64.05 60.31 1wk1 n THR 118 Cb 0.63 -1.20 0.08 0.00 -1.55 0.00 0.00 70.33 68.29 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 -0.13 1.53 -2.03 0.00 0.00 -1.26 -3.24 120.51 115.38 1wk1 n ALA 120 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 1wk1 n ALA 120 Cb 0.94 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.37 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 -1.20 3.45 -0.46 0.00 2.01 -1.23 -4.58 115.64 113.64 1wk1 s THR 121 Ca 0.00 0.72 -0.28 0.00 0.31 0.00 0.00 61.69 62.44 1wk1 s THR 121 Cb 0.00 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 1wk1 s THR 121 CO 0.00 -0.03 1.77 -2.16 -0.69 0.00 0.00 174.62 173.50 1wk1 s PRO 122 N 3.33 3.08 0.07 4.92 0.04 -1.26 -4.17 135.00 141.01 1wk1 s PRO 122 Ca 0.72 1.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 1wk1 s PRO 122 Cb -0.35 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 29.90 1wk1 s PRO 122 CO 0.30 -2.18 -0.00 1.03 0.04 0.00 0.00 177.00 176.19 1wk1 s ARG 123 N 6.12 0.70 0.91 4.56 0.52 -1.10 -4.61 118.95 126.06 1wk1 s ARG 123 Ca 0.72 -1.27 -0.12 0.00 -0.52 0.00 0.00 55.73 54.54 1wk1 s ARG 123 Cb -0.17 0.22 0.14 0.00 0.52 0.00 0.00 34.95 35.66 1wk1 s ARG 123 CO 0.28 -0.15 1.09 -1.25 0.02 0.00 0.00 175.30 175.29 1wk1 s PRO 124 N -3.95 1.15 0.30 3.54 0.04 -1.25 -1.07 135.00 133.76 1wk1 s PRO 124 Ca 0.11 0.78 -0.05 0.00 0.04 0.00 0.00 61.00 61.89 1wk1 s PRO 124 Cb 0.08 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 1wk1 s PRO 124 CO -0.07 -2.30 0.43 -0.59 0.04 0.00 0.00 177.00 174.50 1wk1 s PHE 125 N -2.94 0.92 -0.17 0.56 -0.71 -1.26 0.17 117.98 114.56 1wk1 s PHE 125 Ca 0.64 -1.17 -0.01 0.00 -1.04 0.00 0.00 56.93 55.35 1wk1 s PHE 125 Cb -0.18 -0.09 0.04 0.00 -1.21 0.00 0.00 43.02 41.58 1wk1 s PHE 125 CO 0.57 -1.03 -0.03 0.42 -1.34 0.00 0.00 175.22 173.81 1wk1 s ILE 126 N -3.45 0.98 0.20 -4.49 1.01 -1.26 -2.81 121.20 111.38 1wk1 s ILE 126 Ca 0.30 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 60.17 1wk1 s ILE 126 Cb 0.01 -1.21 -0.08 0.00 0.01 0.00 0.00 42.46 41.19 1wk1 s ILE 126 CO 0.17 0.07 0.69 0.00 0.00 0.00 0.00 174.94 175.87 1wk1 s GLN 128 N -1.92 1.19 0.18 0.00 0.74 0.41 -2.05 119.66 118.21 1wk1 s GLN 128 Ca 0.41 -1.57 0.00 0.00 0.05 0.00 0.00 55.36 54.26 1wk1 s GLN 128 Cb -0.17 -0.48 -0.04 0.00 1.10 0.00 0.00 33.01 33.43 1wk1 s GLN 128 CO 0.21 -0.07 0.34 0.15 -0.55 0.00 0.00 175.29 175.37 1wk1 s LYS 129 N -3.86 3.49 -0.01 1.67 1.02 -1.26 -0.24 119.74 120.55 1wk1 s LYS 129 Ca 0.24 -0.44 -0.19 0.00 0.02 0.00 0.00 55.97 55.60 1wk1 s LYS 129 Cb 0.05 -2.89 -0.11 0.00 -0.52 0.00 0.00 37.83 34.36 1wk1 s LYS 129 CO 0.05 0.45 0.85 1.25 -0.92 0.00 0.00 175.35 177.03 1wk1 h HIS 130 N 2.10 -0.65 -3.52 3.18 -0.00 -1.97 -3.40 115.15 110.90 1wk1 h HIS 130 Ca -0.48 -0.02 -0.69 0.00 -0.00 0.00 0.00 60.37 59.19 1wk1 h HIS 130 Cb 1.19 0.21 -0.36 0.00 -0.00 0.00 0.00 27.41 28.45 1wk1 h HIS 130 CO 0.55 -0.40 -0.42 1.03 -0.00 0.00 0.00 177.93 178.69 1wk1 s ARG 131 N -3.87 2.45 -0.54 5.26 1.81 -1.26 -5.04 118.95 117.76 1wk1 s ARG 131 Ca -0.10 -2.53 -0.41 0.00 -1.72 0.00 0.00 55.73 50.97 1wk1 s ARG 131 Cb 0.01 -3.65 -0.18 0.00 -0.45 0.00 0.00 34.95 30.67 1wk1 s ARG 131 CO 0.31 -1.16 2.22 2.48 -0.68 0.00 0.00 175.30 178.47 1wk1 n TYR 132 N 3.44 1.15 -3.54 -0.53 4.11 -1.26 -4.86 117.16 115.67 1wk1 n TYR 132 Ca 0.07 0.65 -0.10 0.00 -0.00 0.00 0.00 57.90 58.52 1wk1 n TYR 132 Cb 0.37 -2.34 -0.02 0.00 -0.00 0.00 0.00 39.34 37.35 1wk1 n TYR 132 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1wk1 s ASP 133 N 6.62 -0.46 -0.56 9.48 2.15 -1.26 -5.06 116.67 127.57 1wk1 s ASP 133 Ca 1.20 -0.15 0.02 0.00 0.43 0.00 0.00 52.55 54.05 1wk1 s ASP 133 Cb -1.37 0.60 0.42 0.00 -0.30 0.00 0.00 42.92 42.27 1wk1 s ASP 133 CO 0.61 -1.02 1.60 -1.54 -0.17 0.00 0.00 175.17 174.66 1wk1 n SER 134 N -0.39 6.27 -4.69 -0.34 3.41 -1.26 -5.04 113.62 111.58 1wk1 n SER 134 Ca -0.13 -3.78 -0.61 0.00 -0.26 0.00 0.00 58.87 54.10 1wk1 n SER 134 Cb 0.63 -0.72 -0.08 0.00 -0.26 0.00 0.00 64.21 63.78 1wk1 n SER 134 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1wk1 n ASP 135 N -0.67 1.66 -4.66 4.04 5.75 -1.26 -4.85 116.55 116.56 1wk1 n ASP 135 Ca 0.50 1.13 -0.43 0.00 -0.01 0.00 0.00 54.79 55.98 1wk1 n ASP 135 Cb 0.63 -1.04 -0.02 0.00 -1.03 0.00 0.00 41.12 39.66 1wk1 n ASP 135 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1wk1 s HIS 136 N 2.63 2.85 -0.21 2.11 5.65 -1.26 -5.01 115.29 122.05 1wk1 s HIS 136 Ca 0.98 1.00 0.02 0.00 0.25 0.00 0.00 55.06 57.31 1wk1 s HIS 136 Cb -1.22 -3.51 0.04 0.00 -1.18 0.00 0.00 32.58 26.71 1wk1 s HIS 136 CO 0.68 -1.74 -0.15 0.15 -0.65 0.00 0.00 174.74 173.02 1wk1 s LYS 137 N 3.38 2.60 0.54 2.88 1.02 -1.26 -4.99 119.74 123.92 1wk1 s LYS 137 Ca 0.55 -1.03 0.33 0.00 0.02 0.00 0.00 55.97 55.84 1wk1 s LYS 137 Cb -0.22 -2.67 1.37 0.00 -0.52 0.00 0.00 37.83 35.78 1wk1 s LYS 137 CO 0.16 -0.37 1.99 -1.00 -0.92 0.00 0.00 175.35 175.21 1wk1 h PRO 138 N 7.88 0.00 -3.60 -1.68 0.13 -1.95 -3.39 132.00 129.38 1wk1 h PRO 138 Ca -0.34 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.45 1wk1 h PRO 138 Cb 1.10 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.16 1wk1 h PRO 138 CO 0.55 0.03 1.29 -1.71 -0.23 0.00 0.00 178.00 177.94 1wk1 n ASN 139 N -3.15 0.06 -4.70 1.44 5.15 -1.26 -4.80 115.26 108.01 1wk1 n ASN 139 Ca 0.00 0.07 -0.42 0.00 -0.60 0.00 0.00 54.58 53.63 1wk1 n ASN 139 Cb 0.31 -0.63 -0.03 0.00 -0.53 0.00 0.00 39.78 38.90 1wk1 n ASN 139 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1wk1 s THR 140 N 5.72 4.30 0.02 -0.44 -4.23 -1.26 -4.31 115.64 115.45 1wk1 s THR 140 Ca 0.98 1.64 0.01 0.00 -1.18 0.00 0.00 61.69 63.13 1wk1 s THR 140 Cb -0.87 -4.05 -0.01 0.00 1.34 0.00 0.00 72.50 68.90 1wk1 s THR 140 CO 0.36 0.06 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.95 1wk1 s ILE 141 N 1.65 0.27 -1.04 2.99 1.10 -1.26 -5.07 121.20 119.85 1wk1 s ILE 141 Ca 0.56 -0.68 -0.24 0.00 -0.51 0.00 0.00 60.65 59.78 1wk1 s ILE 141 Cb -0.25 -0.34 -0.11 0.00 0.15 0.00 0.00 42.46 41.91 1wk1 s ILE 141 CO 0.25 -0.26 2.03 -0.83 -2.11 0.00 0.00 174.94 174.01 1wk1 s GLY 142 N -1.00 -0.19 -0.32 1.50 0.00 -1.26 -4.91 107.32 101.14 1wk1 s GLY 142 Ca -0.08 -1.69 -0.23 0.00 0.00 0.00 0.00 44.72 42.72 1wk1 s GLY 142 CO -0.00 3.76 0.78 -0.35 0.00 0.00 0.00 173.10 177.29 1wk1 s ASP 143 N 7.82 6.63 -0.18 1.64 -1.08 -1.26 -5.04 116.67 125.20 1wk1 s ASP 143 Ca 0.74 0.57 -0.04 0.00 -0.52 0.00 0.00 52.55 53.30 1wk1 s ASP 143 Cb -0.05 -2.40 -0.02 0.00 -1.46 0.00 0.00 42.92 38.99 1wk1 s ASP 143 CO 0.10 -0.64 -0.03 0.00 0.52 0.00 0.00 175.17 175.12 1wk1 s ALA 144 N 2.99 2.98 -1.69 3.66 0.00 -1.26 -4.59 121.76 123.85 1wk1 s ALA 144 Ca 0.32 -0.92 -0.15 0.00 0.00 0.00 0.00 51.96 51.21 1wk1 s ALA 144 Cb -0.14 -1.65 0.14 0.00 0.00 0.00 0.00 23.12 21.47 1wk1 s ALA 144 CO 0.14 0.01 0.61 0.45 0.00 0.00 0.00 175.76 176.97 1wk1 n SER 145 N 3.93 -2.12 0.13 0.00 2.88 -1.26 -4.87 113.62 112.31 1wk1 n SER 145 Ca -0.17 -1.09 -0.06 0.00 -1.33 0.00 0.00 58.87 56.22 1wk1 n SER 145 Cb 0.52 -2.42 -0.03 0.00 -0.75 0.00 0.00 64.21 61.53 1wk1 n SER 145 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1wk1 h GLY 146 N -1.44 -0.40 -4.57 0.46 0.00 -1.96 -3.44 103.07 91.72 1wk1 h GLY 146 Ca -0.61 0.15 -0.53 0.00 0.00 0.00 0.00 47.33 46.34 1wk1 h GLY 146 CO 0.78 -0.15 0.72 2.56 0.00 0.00 0.00 176.54 180.45 1wk1 s PRO 147 N -2.84 4.33 0.33 4.80 0.04 -1.26 -5.03 135.00 135.37 1wk1 s PRO 147 Ca -0.06 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.06 1wk1 s PRO 147 Cb 0.01 -3.29 -0.07 0.00 0.04 0.00 0.00 34.50 31.19 1wk1 s PRO 147 CO 0.17 -0.43 0.05 0.45 0.04 0.00 0.00 177.00 177.27 1wk1 s SER 148 N 1.19 2.53 -0.04 6.66 0.15 -1.26 -5.16 113.70 117.76 1wk1 s SER 148 Ca 0.64 -1.37 -0.02 0.00 0.70 0.00 0.00 55.95 55.90 1wk1 s SER 148 Cb -0.36 -0.12 0.03 0.00 -1.71 0.00 0.00 66.02 63.86 1wk1 s SER 148 CO 0.30 -0.58 0.10 -0.55 1.20 0.00 0.00 173.24 173.70 1wk1 s SER 149 N -3.51 -0.06 0.00 5.45 0.15 -1.26 -5.29 113.70 109.18 1wk1 s SER 149 Ca 0.36 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1wk1 s SER 149 Cb 0.09 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1wk1 s SER 149 CO 0.16 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.10