#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 6.49 -0.75 1.61 0.01 -1.26 -4.86 113.70 114.94 1wk1 s SER 2 Ca 0.00 1.17 -0.24 0.00 1.31 0.00 0.00 55.95 58.18 1wk1 s SER 2 Cb 0.00 -2.54 -0.15 0.00 0.21 0.00 0.00 66.02 63.54 1wk1 s SER 2 CO 0.00 -1.24 2.40 -1.20 0.41 0.00 0.00 173.24 173.62 1wk1 n SER 3 N 8.21 1.46 0.00 2.44 7.64 -1.26 -4.63 113.62 127.49 1wk1 n SER 3 Ca 0.16 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 59.02 1wk1 n SER 3 Cb 0.47 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.20 1wk1 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wk1 n GLY 4 N 6.42 -0.34 3.63 0.23 0.00 -1.26 -4.71 105.19 109.15 1wk1 n GLY 4 Ca 0.48 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.00 6.72 -0.30 1.61 0.15 -1.26 -4.95 113.70 111.66 1wk1 s SER 5 Ca 0.00 1.02 -0.16 0.00 0.70 0.00 0.00 55.95 57.51 1wk1 s SER 5 Cb 0.00 -2.54 0.18 0.00 -1.71 0.00 0.00 66.02 61.95 1wk1 s SER 5 CO 0.00 -1.08 1.13 -0.55 1.20 0.00 0.00 173.24 173.94 1wk1 s SER 6 N 2.50 -0.29 0.00 5.45 0.15 -1.26 -5.15 113.70 115.10 1wk1 s SER 6 Ca 0.52 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1wk1 s SER 6 Cb -0.14 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 1wk1 s SER 6 CO 0.23 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.21 1wk1 n GLY 7 N 3.82 2.95 3.65 9.45 0.00 -1.26 -4.88 105.19 118.92 1wk1 n GLY 7 Ca -0.15 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 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 4.52 0.25 1.61 0.11 -1.26 -5.00 120.40 120.64 1wk1 s VAL 8 Ca 0.00 1.80 -0.30 0.00 -2.93 0.00 0.00 61.98 60.55 1wk1 s VAL 8 Cb 0.00 -4.29 -0.10 0.00 -1.53 0.00 0.00 36.38 30.45 1wk1 s VAL 8 CO 0.00 -0.30 1.48 -0.54 -3.33 0.00 0.00 175.10 172.41 1wk1 s LYS 9 N 3.48 4.23 0.00 1.54 1.02 -1.26 -4.98 119.74 123.77 1wk1 s LYS 9 Ca 0.47 2.36 0.00 0.00 0.02 0.00 0.00 55.97 58.82 1wk1 s LYS 9 Cb -0.15 -3.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1wk1 s LYS 9 CO 0.12 -0.48 0.09 1.19 -0.92 0.00 0.00 175.35 175.35 1wk1 n PHE 10 N 2.41 0.00 -1.06 3.18 3.01 -1.26 -4.32 117.46 119.41 1wk1 n PHE 10 Ca 0.07 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.16 1wk1 n PHE 10 Cb 0.39 -0.19 -0.05 0.00 -0.01 0.00 0.00 39.48 39.63 1wk1 n PHE 10 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1wk1 n LEU 11 N -1.07 4.35 -3.67 4.37 4.77 -1.10 -1.23 117.00 123.42 1wk1 n LEU 11 Ca 0.00 -2.92 -0.09 0.00 -0.03 0.00 0.00 56.01 52.98 1wk1 n LEU 11 Cb 0.00 -1.12 -0.09 0.00 -2.33 0.00 0.00 43.42 39.88 1wk1 n LEU 11 CO 0.00 -0.09 0.14 0.42 -1.33 0.00 0.00 177.39 176.53 1wk1 s THR 12 N 4.56 -0.19 -1.02 -5.08 -4.23 -1.26 -5.04 115.64 103.39 1wk1 s THR 12 Ca 0.52 0.07 -0.23 0.00 -1.18 0.00 0.00 61.69 60.87 1wk1 s THR 12 Cb 0.13 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 73.18 1wk1 s THR 12 CO 0.07 0.03 1.88 -0.69 -0.54 0.00 0.00 174.62 175.37 1wk1 s VAL 13 N 1.77 3.56 -0.24 2.29 1.01 -1.26 -4.51 120.40 123.02 1wk1 s VAL 13 Ca -0.08 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 60.97 1wk1 s VAL 13 Cb -0.08 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 1wk1 s VAL 13 CO -0.15 -1.12 2.24 0.59 0.00 0.00 0.00 175.10 176.65 1wk1 n ASN 14 N 13.25 3.18 -0.33 3.32 3.02 -1.17 -4.82 115.26 131.71 1wk1 n ASN 14 Ca 0.41 0.16 0.26 0.00 -0.03 0.00 0.00 54.58 55.38 1wk1 n ASN 14 Cb 0.47 -1.55 0.50 0.00 -0.61 0.00 0.00 39.78 38.58 1wk1 n ASN 14 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 1wk1 h ASP 15 N 15.35 0.21 -0.58 6.41 2.03 -1.92 -3.38 116.42 134.54 1wk1 h ASP 15 Ca -0.40 0.24 -0.54 0.00 -0.73 0.00 0.00 57.03 55.61 1wk1 h ASP 15 Cb 1.24 0.27 -0.05 0.00 -0.83 0.00 0.00 39.33 39.97 1wk1 h ASP 15 CO 0.97 -0.34 1.64 0.47 -1.03 0.00 0.00 179.24 180.95 1wk1 n ASP 16 N -5.25 1.13 -4.70 4.15 9.92 -1.26 -4.62 116.55 115.92 1wk1 n ASP 16 Ca 0.33 0.08 -0.42 0.00 -0.53 0.00 0.00 54.79 54.25 1wk1 n ASP 16 Cb 1.09 -1.14 -0.03 0.00 -0.64 0.00 0.00 41.12 40.40 1wk1 n ASP 16 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1wk1 s ILE 17 N 9.31 4.48 -0.06 0.53 -4.36 -1.26 -4.47 121.20 125.37 1wk1 s ILE 17 Ca 1.21 1.78 -0.08 0.00 -0.26 0.00 0.00 60.65 63.30 1wk1 s ILE 17 Cb -0.94 -4.14 0.02 0.00 1.25 0.00 0.00 42.46 38.64 1wk1 s ILE 17 CO 0.45 0.09 0.21 -0.76 0.24 0.00 0.00 174.94 175.17 1wk1 s LEU 18 N 1.40 1.23 0.96 0.37 1.43 -0.00 -4.55 118.68 119.50 1wk1 s LEU 18 Ca 0.54 0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 53.80 1wk1 s LEU 18 Cb -0.24 0.77 0.09 0.00 0.03 0.00 0.00 46.19 46.84 1wk1 s LEU 18 CO 0.26 -0.17 0.67 -1.54 0.23 0.00 0.00 176.35 175.80 1wk1 n SER 19 N 2.52 -1.24 -0.11 2.29 3.41 -1.26 -3.16 113.62 116.06 1wk1 n SER 19 Ca -0.15 0.32 -0.06 0.00 -0.26 0.00 0.00 58.87 58.72 1wk1 n SER 19 Cb 0.58 -1.29 0.01 0.00 -0.26 0.00 0.00 64.21 63.24 1wk1 n SER 19 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1wk1 h MET 20 N -1.75 -0.13 0.00 4.33 4.05 -1.79 0.47 114.93 120.11 1wk1 h MET 20 Ca -0.44 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 1wk1 h MET 20 Cb 1.28 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 1wk1 h MET 20 CO 0.37 -0.09 0.00 -0.35 0.23 0.00 0.00 176.91 177.08 1wk1 n PRO 21 N -5.38 0.15 -0.11 0.39 -0.04 -1.26 -2.65 135.00 126.10 1wk1 n PRO 21 Ca 0.02 0.17 -0.14 0.00 -0.04 0.00 0.00 63.50 63.51 1wk1 n PRO 21 Cb 0.29 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 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 -1.34 0.70 0.05 0.54 1.13 0.10 -4.31 117.38 114.25 1wk1 n GLN 22 Ca 0.06 0.08 -0.02 0.00 -1.94 0.00 0.00 57.00 55.18 1wk1 n GLN 22 Cb 0.13 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.97 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 0.42 -0.47 -0.93 -1.58 0.00 -0.07 -2.94 119.26 113.69 1wk1 h ALA 23 Ca -0.55 -0.03 0.38 0.00 0.00 0.00 0.00 54.91 54.71 1wk1 h ALA 23 Cb 2.02 0.05 -0.17 0.00 0.00 0.00 0.00 17.79 19.69 1wk1 h ALA 23 CO -0.04 -0.47 0.45 2.89 0.00 0.00 0.00 179.25 182.09 1wk1 n ARG 24 N -2.69 -0.06 -0.28 0.00 1.85 -1.09 0.23 116.66 114.62 1wk1 n ARG 24 Ca -0.02 1.29 -0.06 0.00 -1.00 0.00 0.00 57.85 58.07 1wk1 n ARG 24 Cb 0.05 -2.29 0.06 0.00 -1.05 0.00 0.00 32.46 29.23 1wk1 n ARG 24 CO 0.00 0.00 0.00 -0.97 -0.01 0.00 0.00 177.63 176.65 1wk1 h ASN 25 N 0.00 1.07 0.07 2.89 -1.24 -1.75 -2.52 115.58 114.10 1wk1 h ASN 25 Ca 0.76 -0.17 -0.00 0.00 0.71 0.00 0.00 56.30 57.60 1wk1 h ASN 25 Cb 1.99 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 40.76 1wk1 h ASN 25 CO -0.73 0.95 -0.03 0.15 -1.29 0.00 0.00 177.43 176.47 1wk1 h PHE 26 N 1.13 -0.09 -1.56 0.67 3.04 0.30 -0.02 116.94 120.40 1wk1 h PHE 26 Ca 0.26 -0.00 0.50 0.00 3.98 0.00 0.00 57.97 62.71 1wk1 h PHE 26 Cb 0.21 0.03 -0.12 0.00 2.56 0.00 0.00 35.95 38.63 1wk1 h PHE 26 CO 0.02 -0.06 1.05 0.00 -2.02 0.00 0.00 178.31 177.30 1wk1 h ALA 28 N 1.43 -0.06 -0.04 0.00 0.00 -1.38 0.33 119.26 119.54 1wk1 h ALA 28 Ca 0.90 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 55.49 1wk1 h ALA 28 Cb 3.10 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 20.91 1wk1 h ALA 28 CO -0.33 -0.16 0.43 0.77 0.00 0.00 0.00 179.25 179.97 1wk1 h SER 29 N -0.81 0.00 0.21 0.00 0.02 0.19 0.22 113.55 113.38 1wk1 h SER 29 Ca -0.01 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 1wk1 h SER 29 Cb 0.67 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 1wk1 h SER 29 CO 0.01 0.00 -1.92 0.00 -1.14 0.00 0.00 176.83 173.78 1wk1 h ALA 30 N 1.18 0.49 0.00 3.77 0.00 -1.33 -3.49 119.26 119.87 1wk1 h ALA 30 Ca 0.02 -1.39 0.00 0.00 0.00 0.00 0.00 54.91 53.54 1wk1 h ALA 30 Cb 0.88 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1wk1 h ALA 30 CO -0.00 1.35 0.00 0.41 0.00 0.00 0.00 179.25 181.01 1wk1 n GLY 31 N 1.89 0.43 0.00 0.00 0.00 0.77 -5.06 105.19 103.22 1wk1 n GLY 31 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 2.68 3.32 -0.02 0.00 0.07 -4.92 105.19 106.32 1wk1 n GLY 32 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 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 -5.08 -0.22 0.30 1.61 -0.85 -1.01 -3.17 117.35 108.92 1wk1 s TYR 33 Ca 0.00 -0.07 -0.28 0.00 -0.52 0.00 0.00 57.07 56.20 1wk1 s TYR 33 Cb 0.00 0.26 -0.14 0.00 0.38 0.00 0.00 41.96 42.47 1wk1 s TYR 33 CO 0.00 -0.69 1.07 1.28 -1.52 0.00 0.00 175.55 175.68 1wk1 n LEU 34 N -0.16 2.14 -4.60 -3.49 4.77 -1.26 0.10 117.00 114.50 1wk1 n LEU 34 Ca -0.16 1.18 -0.43 0.00 -0.03 0.00 0.00 56.01 56.58 1wk1 n LEU 34 Cb 0.63 -1.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.36 1wk1 n LEU 34 CO 0.17 -1.22 0.81 0.00 -1.33 0.00 0.00 177.39 175.82 1wk1 s ALA 35 N -1.05 3.38 1.19 -1.18 0.00 -0.59 -4.54 121.76 118.98 1wk1 s ALA 35 Ca 0.58 -0.43 -0.18 0.00 0.00 0.00 0.00 51.96 51.93 1wk1 s ALA 35 Cb -0.68 -3.59 0.28 0.00 0.00 0.00 0.00 23.12 19.13 1wk1 s ALA 35 CO 0.60 -1.68 1.09 0.16 0.00 0.00 0.00 175.76 175.93 1wk1 s ASP 36 N 1.93 1.01 -0.39 0.00 -4.77 -1.26 -3.42 116.67 109.78 1wk1 s ASP 36 Ca 0.40 0.76 0.08 0.00 -3.30 0.00 0.00 52.55 50.48 1wk1 s ASP 36 Cb -0.11 -1.09 0.44 0.00 -1.09 0.00 0.00 42.92 41.06 1wk1 s ASP 36 CO 0.20 -4.08 1.10 -0.67 0.70 0.00 0.00 175.17 172.42 1wk1 n ASP 37 N -4.75 4.17 -4.34 2.11 2.03 -1.26 -4.86 116.55 109.66 1wk1 n ASP 37 Ca 0.11 -3.52 -0.46 0.00 0.52 0.00 0.00 54.79 51.45 1wk1 n ASP 37 Cb 0.59 -0.45 -0.04 0.00 -0.72 0.00 0.00 41.12 40.50 1wk1 n ASP 37 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wk1 s LEU 38 N -3.50 6.03 0.00 -2.67 1.43 -1.26 -4.75 118.68 113.96 1wk1 s LEU 38 Ca 0.45 -1.89 0.00 0.00 -1.03 0.00 0.00 54.13 51.66 1wk1 s LEU 38 Cb 0.41 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1wk1 s LEU 38 CO -0.11 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.20 1wk1 n GLY 39 N 5.01 3.48 0.32 -3.19 0.00 -1.26 -4.77 105.19 104.78 1wk1 n GLY 39 Ca -0.05 -0.54 0.15 0.00 0.00 0.00 0.00 46.02 45.58 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 0.25 -0.08 1.61 1.82 -2.00 0.53 116.42 118.54 1wk1 h ASP 40 Ca 0.00 0.18 -0.12 0.00 -0.39 0.00 0.00 57.03 56.70 1wk1 h ASP 40 Cb 0.00 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 1wk1 h ASP 40 CO 0.00 -0.08 -0.33 -0.78 -1.61 0.00 0.00 179.24 176.44 1wk1 h ASP 41 N 0.32 0.59 0.04 2.28 3.58 -1.99 -2.29 116.42 118.96 1wk1 h ASP 41 Ca 0.59 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.80 1wk1 h ASP 41 Cb 1.20 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.09 1wk1 h ASP 41 CO -0.59 0.88 -0.02 0.50 -2.88 0.00 0.00 179.24 177.13 1wk1 h LYS 42 N 0.49 -0.06 -0.43 0.28 1.63 -0.32 -1.99 116.57 116.16 1wk1 h LYS 42 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1wk1 h LYS 42 Cb 0.81 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 1wk1 h LYS 42 CO 0.07 0.12 0.28 -0.97 -3.45 0.00 0.00 179.45 175.50 1wk1 h ASN 43 N -0.23 0.50 -0.31 4.20 -1.24 -1.12 -2.80 115.58 114.58 1wk1 h ASN 43 Ca -0.01 -0.03 0.06 0.00 0.71 0.00 0.00 56.30 57.04 1wk1 h ASN 43 Cb 0.21 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.08 1wk1 h ASN 43 CO 0.01 0.38 -0.02 0.78 -1.29 0.00 0.00 177.43 177.29 1wk1 h ASN 44 N 0.58 -0.17 -0.91 1.15 2.35 -1.33 -0.36 115.58 116.89 1wk1 h ASN 44 Ca 0.16 0.08 0.17 0.00 -0.55 0.00 0.00 56.30 56.15 1wk1 h ASN 44 Cb -0.05 0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.39 1wk1 h ASN 44 CO -0.03 -0.05 0.59 0.15 -1.65 0.00 0.00 177.43 176.43 1wk1 h PHE 45 N 0.07 0.76 -0.12 1.19 3.57 -1.11 -1.22 116.94 120.07 1wk1 h PHE 45 Ca 0.15 0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 1wk1 h PHE 45 Cb 0.21 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1wk1 h PHE 45 CO -0.25 0.24 -0.42 1.88 -2.23 0.00 0.00 178.31 177.54 1wk1 h TYR 46 N 0.61 0.66 -1.07 0.41 0.05 -0.97 -3.17 116.97 113.49 1wk1 h TYR 46 Ca 0.47 -0.27 0.28 0.00 0.05 0.00 0.00 58.73 59.27 1wk1 h TYR 46 Cb 0.88 -0.11 -0.09 0.00 1.01 0.00 0.00 36.73 38.42 1wk1 h TYR 46 CO -0.00 1.02 0.69 1.03 -1.05 0.00 0.00 178.16 179.85 1wk1 h SER 47 N 0.10 0.40 0.80 3.88 0.87 0.12 0.87 113.55 120.60 1wk1 h SER 47 Ca -0.02 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1wk1 h SER 47 Cb 1.05 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1wk1 h SER 47 CO 0.09 0.06 -0.38 0.28 -0.53 0.00 0.00 176.83 176.34 1wk1 h SER 48 N 0.34 -0.91 0.82 6.23 0.02 -1.47 -2.91 113.55 115.69 1wk1 h SER 48 Ca 0.61 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.59 1wk1 h SER 48 Cb 1.63 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.41 1wk1 h SER 48 CO -0.29 -0.60 0.00 0.16 -1.14 0.00 0.00 176.83 174.96 1wk1 h ILE 49 N -1.18 0.00 -0.26 3.27 3.07 -1.38 -2.75 117.51 118.28 1wk1 h ILE 49 Ca -0.11 -0.29 -0.06 0.00 1.55 0.00 0.00 64.86 65.95 1wk1 h ILE 49 Cb 0.82 1.08 -0.03 0.00 -0.27 0.00 0.00 36.82 38.42 1wk1 h ILE 49 CO 0.18 0.00 0.07 0.00 -1.05 0.00 0.00 178.15 177.35 1wk1 n ALA 50 N -1.82 3.21 -1.46 0.16 0.00 0.29 -4.82 120.51 116.07 1wk1 n ALA 50 Ca 0.02 -0.82 -0.14 0.00 0.00 0.00 0.00 53.44 52.49 1wk1 n ALA 50 Cb 0.25 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.50 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 0.13 0.60 -2.77 0.00 0.00 -1.04 -0.61 120.51 116.82 1wk1 n ALA 51 Ca 0.14 -1.29 -0.14 0.00 0.00 0.00 0.00 53.44 52.16 1wk1 n ALA 51 Cb 0.70 -2.61 0.02 0.00 0.00 0.00 0.00 19.45 17.57 1wk1 n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wk1 n ASN 52 N 12.61 -4.33 -3.96 0.00 3.02 -1.26 -4.96 115.26 116.37 1wk1 n ASN 52 Ca 0.46 -0.19 -0.21 0.00 -0.03 0.00 0.00 54.58 54.61 1wk1 n ASN 52 Cb 0.35 -3.18 -0.16 0.00 -0.61 0.00 0.00 39.78 36.18 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 -2.95 0.78 -0.21 3.41 2.01 0.22 -4.69 115.64 114.20 1wk1 s THR 53 Ca 0.20 -0.30 -0.05 0.00 0.31 0.00 0.00 61.69 61.86 1wk1 s THR 53 Cb -0.09 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 1wk1 s THR 53 CO 0.25 0.27 -0.02 -1.10 -0.69 0.00 0.00 174.62 173.33 1wk1 s GLN 54 N 0.62 3.49 0.17 4.92 -0.21 -1.26 -2.05 119.66 125.34 1wk1 s GLN 54 Ca -0.10 -0.57 0.05 0.00 0.02 0.00 0.00 55.36 54.75 1wk1 s GLN 54 Cb -0.13 -3.06 -0.05 0.00 1.00 0.00 0.00 33.01 30.77 1wk1 s GLN 54 CO 0.01 -0.11 -0.09 -0.59 -2.12 0.00 0.00 175.29 172.39 1wk1 s PHE 55 N 1.30 1.35 0.88 0.91 -0.71 -0.80 -4.20 117.98 116.72 1wk1 s PHE 55 Ca 0.04 -0.77 -0.12 0.00 -1.04 0.00 0.00 56.93 55.04 1wk1 s PHE 55 Cb -0.14 -0.70 0.12 0.00 -1.21 0.00 0.00 43.02 41.09 1wk1 s PHE 55 CO -0.00 0.09 1.10 -1.58 -1.34 0.00 0.00 175.22 173.48 1wk1 s TRP 56 N -3.31 2.44 0.29 3.49 0.52 0.88 0.12 118.94 123.37 1wk1 s TRP 56 Ca 0.19 1.18 0.06 0.00 0.02 0.00 0.00 56.10 57.54 1wk1 s TRP 56 Cb 0.03 -3.18 -0.02 0.00 -1.15 0.00 0.00 33.47 29.15 1wk1 s TRP 56 CO 0.02 -2.29 0.21 0.44 0.02 0.00 0.00 176.95 175.36 1wk1 n ILE 57 N -3.79 0.00 0.27 2.03 -5.35 -1.19 -4.26 119.36 107.08 1wk1 n ILE 57 Ca 0.07 -2.02 0.17 0.00 -0.27 0.00 0.00 62.75 60.70 1wk1 n ILE 57 Cb 0.56 0.95 0.65 0.00 -1.74 0.00 0.00 39.64 40.06 1wk1 n ILE 57 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1wk1 h GLY 58 N 1.63 0.00 -4.43 3.28 0.00 -1.79 -3.44 103.07 98.32 1wk1 h GLY 58 Ca -0.21 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.59 1wk1 h GLY 58 CO 0.31 0.00 0.60 -2.27 0.00 0.00 0.00 176.54 175.18 1wk1 s LEU 59 N -6.20 4.39 -0.26 3.11 2.96 -1.26 0.08 118.68 121.51 1wk1 s LEU 59 Ca 0.02 2.15 -0.25 0.00 -0.22 0.00 0.00 54.13 55.82 1wk1 s LEU 59 Cb 0.09 -3.59 0.07 0.00 0.50 0.00 0.00 46.19 43.26 1wk1 s LEU 59 CO 0.55 -0.50 0.73 0.72 -1.32 0.00 0.00 176.35 176.53 1wk1 s PHE 60 N 0.83 -0.77 0.47 5.38 -0.12 -0.63 -3.22 117.98 119.91 1wk1 s PHE 60 Ca 0.59 1.87 -0.20 0.00 -0.05 0.00 0.00 56.93 59.13 1wk1 s PHE 60 Cb -0.32 0.28 -0.09 0.00 -0.63 0.00 0.00 43.02 42.26 1wk1 s PHE 60 CO 0.31 -0.39 1.02 0.21 -0.05 0.00 0.00 175.22 176.32 1wk1 s LYS 61 N 0.29 3.90 0.53 1.99 2.20 -0.11 -0.34 119.74 128.21 1wk1 s LYS 61 Ca -0.00 1.29 0.06 0.00 -0.36 0.00 0.00 55.97 56.96 1wk1 s LYS 61 Cb -0.05 -2.11 0.04 0.00 -1.51 0.00 0.00 37.83 34.20 1wk1 s LYS 61 CO 0.01 -0.34 0.46 1.21 -0.36 0.00 0.00 175.35 176.34 1wk1 s ASN 62 N -2.07 4.75 0.18 1.43 3.84 0.46 -4.86 114.94 118.67 1wk1 s ASN 62 Ca 0.66 -1.13 -0.13 0.00 0.21 0.00 0.00 52.86 52.47 1wk1 s ASN 62 Cb -0.14 0.28 0.14 0.00 -0.55 0.00 0.00 41.25 40.98 1wk1 s ASN 62 CO 0.19 -1.09 1.78 0.28 -2.79 0.00 0.00 177.10 175.47 1wk1 h SER 63 N 0.70 0.35 -0.82 -4.21 0.02 -1.98 -2.11 113.55 105.50 1wk1 h SER 63 Ca -0.36 0.03 0.18 0.00 -0.84 0.00 0.00 61.79 60.80 1wk1 h SER 63 Cb 1.30 -0.03 -0.11 0.00 0.14 0.00 0.00 62.40 63.69 1wk1 h SER 63 CO 0.55 0.24 0.31 0.44 -1.14 0.00 0.00 176.83 177.23 1wk1 h ASP 64 N 0.49 0.22 0.00 3.07 3.32 -2.04 -3.45 116.42 118.03 1wk1 h ASP 64 Ca 0.23 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1wk1 h ASP 64 Cb 0.15 0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1wk1 h ASP 64 CO -0.17 0.01 0.00 0.61 -1.72 0.00 0.00 179.24 177.98 1wk1 n GLY 65 N -1.34 0.81 3.86 2.75 0.00 -0.79 -5.14 105.19 105.34 1wk1 n GLY 65 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 2.75 -0.16 1.61 -0.21 -1.26 -4.84 119.66 117.54 1wk1 s GLN 66 Ca 0.00 -1.28 -0.14 0.00 0.02 0.00 0.00 55.36 53.97 1wk1 s GLN 66 Cb 0.00 -2.49 -0.05 0.00 1.00 0.00 0.00 33.01 31.47 1wk1 s GLN 66 CO 0.00 0.10 0.29 -0.06 -2.12 0.00 0.00 175.29 173.50 1wk1 s PHE 67 N -2.29 3.46 0.27 0.91 0.08 -1.26 -0.41 117.98 118.74 1wk1 s PHE 67 Ca 0.41 0.59 0.00 0.00 0.12 0.00 0.00 56.93 58.05 1wk1 s PHE 67 Cb -0.06 -2.34 -0.00 0.00 -0.57 0.00 0.00 43.02 40.05 1wk1 s PHE 67 CO 0.27 0.24 0.00 0.66 -0.10 0.00 0.00 175.22 176.29 1wk1 n TYR 68 N 3.58 0.61 -4.32 0.36 4.02 0.54 -1.07 117.16 120.89 1wk1 n TYR 68 Ca -0.12 -1.36 -0.24 0.00 -0.01 0.00 0.00 57.90 56.17 1wk1 n TYR 68 Cb 0.52 -0.17 -0.08 0.00 -0.02 0.00 0.00 39.34 39.58 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 -2.01 2.57 -0.45 -0.72 0.52 -0.08 -1.61 118.94 117.15 1wk1 s TRP 69 Ca 0.00 -0.37 -0.08 0.00 0.02 0.00 0.00 56.10 55.68 1wk1 s TRP 69 Cb 0.00 -1.37 0.11 0.00 -1.15 0.00 0.00 33.47 31.06 1wk1 s TRP 69 CO 0.00 0.53 0.30 0.34 0.02 0.00 0.00 176.95 178.15 1wk1 s ASP 70 N -3.69 5.62 -0.31 2.95 -1.08 0.11 -3.94 116.67 116.33 1wk1 s ASP 70 Ca 0.34 -1.83 0.09 0.00 -0.52 0.00 0.00 52.55 50.62 1wk1 s ASP 70 Cb -0.02 -1.98 0.56 0.00 -1.46 0.00 0.00 42.92 40.02 1wk1 s ASP 70 CO 0.19 -0.63 1.58 0.54 0.52 0.00 0.00 175.17 177.37 1wk1 n ARG 71 N 4.86 2.24 0.00 4.34 5.12 -1.26 -4.53 116.66 127.43 1wk1 n ARG 71 Ca -0.08 -3.10 0.00 0.00 -1.93 0.00 0.00 57.85 52.75 1wk1 n ARG 71 Cb 0.41 -1.93 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 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 -0.96 0.79 0.07 -0.13 0.00 -1.26 -4.57 105.19 99.13 1wk1 n GLY 72 Ca 0.38 -2.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.13 1wk1 n GLY 72 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1wk1 h GLN 73 N 8.12 0.00 -0.51 1.61 5.75 -1.91 -3.38 115.11 124.79 1wk1 h GLN 73 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1wk1 h GLN 73 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1wk1 h GLN 73 CO 0.00 0.42 0.00 0.41 -2.65 0.00 0.00 178.83 177.01 1wk1 n GLY 74 N 1.62 1.69 3.81 2.39 0.00 -1.26 -4.93 105.19 108.51 1wk1 n GLY 74 Ca -0.11 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.32 4.60 0.05 -0.61 -1.09 -1.26 -5.02 121.20 116.55 1wk1 s ILE 75 Ca 0.40 1.28 -0.31 0.00 -2.23 0.00 0.00 60.65 59.79 1wk1 s ILE 75 Cb 0.21 -3.88 -0.07 0.00 -1.58 0.00 0.00 42.46 37.14 1wk1 s ILE 75 CO 0.29 0.29 1.52 0.20 -1.23 0.00 0.00 174.94 176.01 1wk1 s ASN 76 N -1.53 6.73 0.83 3.58 0.01 -1.26 -4.70 114.94 118.59 1wk1 s ASN 76 Ca 0.40 2.33 -0.11 0.00 -0.71 0.00 0.00 52.86 54.77 1wk1 s ASN 76 Cb -0.18 -2.57 0.09 0.00 0.41 0.00 0.00 41.25 39.01 1wk1 s ASN 76 CO 0.21 -0.79 1.09 -2.16 -1.51 0.00 0.00 177.10 173.94 1wk1 s PRO 77 N 2.26 1.78 -0.11 -0.60 0.04 -1.26 -4.76 135.00 132.35 1wk1 s PRO 77 Ca 0.69 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.75 1wk1 s PRO 77 Cb -0.36 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 1wk1 s PRO 77 CO 0.30 -1.93 -0.16 0.34 0.04 0.00 0.00 177.00 175.58 1wk1 s ASP 78 N -3.40 3.76 -0.14 6.66 2.15 -1.25 -4.89 116.67 119.54 1wk1 s ASP 78 Ca 0.62 -0.37 -0.29 0.00 0.43 0.00 0.00 52.55 52.94 1wk1 s ASP 78 Cb -0.18 -1.38 -0.03 0.00 -0.30 0.00 0.00 42.92 41.04 1wk1 s ASP 78 CO 0.56 0.20 1.40 -0.22 -0.17 0.00 0.00 175.17 176.95 1wk1 s LEU 79 N 0.13 4.19 -0.66 -1.34 1.98 -1.26 -0.91 118.68 120.80 1wk1 s LEU 79 Ca -0.08 1.82 -0.28 0.00 -2.89 0.00 0.00 54.13 52.69 1wk1 s LEU 79 Cb -0.15 -3.54 -0.12 0.00 0.66 0.00 0.00 46.19 43.04 1wk1 s LEU 79 CO 0.05 -0.86 2.51 -0.11 -1.89 0.00 0.00 176.35 176.06 1wk1 n LEU 80 N 6.94 1.61 -1.80 -0.68 7.94 -0.23 -4.73 117.00 126.04 1wk1 n LEU 80 Ca 0.15 -0.25 -0.05 0.00 -1.11 0.00 0.00 56.01 54.75 1wk1 n LEU 80 Cb 0.44 -1.35 0.07 0.00 0.53 0.00 0.00 43.42 43.12 1wk1 n LEU 80 CO 0.59 -1.26 0.15 -3.20 -1.11 0.00 0.00 177.39 172.56 1wk1 n ASN 81 N 13.89 2.55 -4.83 1.96 2.85 -1.26 -4.94 115.26 125.48 1wk1 n ASN 81 Ca 0.47 -3.00 -0.37 0.00 -0.11 0.00 0.00 54.58 51.57 1wk1 n ASN 81 Cb 0.36 -0.41 -0.06 0.00 1.24 0.00 0.00 39.78 40.91 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 -2.88 4.00 0.29 1.20 -2.07 -1.26 -4.99 119.66 113.95 1wk1 s GLN 82 Ca 0.38 0.51 0.08 0.00 -1.82 0.00 0.00 55.36 54.51 1wk1 s GLN 82 Cb 0.37 -3.12 0.44 0.00 -1.09 0.00 0.00 33.01 29.62 1wk1 s GLN 82 CO -0.05 0.60 1.68 -1.00 -1.32 0.00 0.00 175.29 175.21 1wk1 h PRO 83 N 4.22 0.16 -5.25 9.60 0.13 -2.03 -3.42 132.00 135.41 1wk1 h PRO 83 Ca -0.50 -0.09 -0.61 0.00 -0.87 0.00 0.00 66.00 63.93 1wk1 h PRO 83 Cb 1.21 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 1wk1 h PRO 83 CO 0.64 0.61 -0.53 0.42 -0.23 0.00 0.00 178.00 178.90 1wk1 s ILE 84 N -4.00 5.07 0.29 -3.56 1.01 -1.26 -5.09 121.20 113.66 1wk1 s ILE 84 Ca -0.04 0.07 0.02 0.00 0.00 0.00 0.00 60.65 60.71 1wk1 s ILE 84 Cb 0.13 -3.31 -0.06 0.00 0.01 0.00 0.00 42.46 39.24 1wk1 s ILE 84 CO 0.77 0.44 0.08 0.42 0.00 0.00 0.00 174.94 176.65 1wk1 s THR 85 N 0.45 0.80 -0.02 2.92 -4.23 -1.26 -5.04 115.64 109.26 1wk1 s THR 85 Ca 0.05 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1wk1 s THR 85 Cb -0.12 -2.69 0.03 0.00 1.34 0.00 0.00 72.50 71.06 1wk1 s THR 85 CO -0.00 0.00 0.94 -1.22 -0.54 0.00 0.00 174.62 173.80 1wk1 n TYR 86 N -0.56 0.00 -1.39 3.99 4.01 -1.26 -5.00 117.16 116.95 1wk1 n TYR 86 Ca -0.01 -0.47 -0.50 0.00 -0.16 0.00 0.00 57.90 56.76 1wk1 n TYR 86 Cb 0.66 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 39.59 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 -0.52 -0.13 -1.40 -0.72 5.03 -1.25 -2.59 117.44 115.86 1wk1 n TRP 87 Ca 0.02 0.97 -0.24 0.00 3.03 0.00 0.00 57.50 61.28 1wk1 n TRP 87 Cb 0.35 -1.94 0.18 0.00 -1.03 0.00 0.00 31.31 28.86 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 0.46 -1.93 -1.65 6.99 0.00 0.55 -4.48 120.51 120.46 1wk1 n ALA 88 Ca 0.18 -1.37 -0.43 0.00 0.00 0.00 0.00 53.44 51.82 1wk1 n ALA 88 Cb 0.19 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 1wk1 n ALA 88 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1wk1 n ASN 89 N -4.06 3.92 0.00 0.00 4.13 -1.26 -0.55 115.26 117.43 1wk1 n ASN 89 Ca 0.13 0.79 0.00 0.00 1.68 0.00 0.00 54.58 57.18 1wk1 n ASN 89 Cb 0.47 -1.51 0.00 0.00 -1.54 0.00 0.00 39.78 37.20 1wk1 n ASN 89 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wk1 n GLY 90 N 4.76 0.91 3.86 7.41 0.00 -1.26 -4.98 105.19 115.88 1wk1 n GLY 90 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.08 3.89 0.43 1.61 0.41 0.28 -3.93 118.70 121.31 1wk1 s GLU 91 Ca 0.00 0.63 -0.24 0.00 -0.41 0.00 0.00 54.97 54.95 1wk1 s GLU 91 Cb 0.00 -2.35 -0.08 0.00 -1.78 0.00 0.00 34.13 29.92 1wk1 s GLU 91 CO 0.00 -0.02 1.18 -1.25 -0.49 0.00 0.00 175.26 174.68 1wk1 s PRO 92 N -3.63 3.91 0.33 0.39 0.04 -1.26 -4.64 135.00 130.14 1wk1 s PRO 92 Ca 0.54 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 63.13 1wk1 s PRO 92 Cb -0.10 -2.56 -0.12 0.00 0.04 0.00 0.00 34.50 31.75 1wk1 s PRO 92 CO 0.27 -0.44 1.35 0.45 0.04 0.00 0.00 177.00 178.66 1wk1 n SER 93 N -0.17 2.95 -1.21 6.66 2.88 -1.25 -4.86 113.62 118.62 1wk1 n SER 93 Ca 0.06 1.20 -0.03 0.00 -1.33 0.00 0.00 58.87 58.76 1wk1 n SER 93 Cb 0.47 -1.50 0.10 0.00 -0.75 0.00 0.00 64.21 62.52 1wk1 n SER 93 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1wk1 n ASN 94 N 0.99 2.95 -4.76 -3.46 2.85 -1.26 -4.88 115.26 107.69 1wk1 n ASN 94 Ca 0.05 -2.43 -0.39 0.00 -0.11 0.00 0.00 54.58 51.70 1wk1 n ASN 94 Cb 0.36 -0.59 -0.06 0.00 1.24 0.00 0.00 39.78 40.73 1wk1 n ASN 94 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1wk1 s ASP 95 N 0.00 6.91 0.55 1.20 -1.08 -1.26 -4.96 116.67 118.02 1wk1 s ASP 95 Ca 0.19 1.08 0.33 0.00 -0.52 0.00 0.00 52.55 53.63 1wk1 s ASP 95 Cb 0.15 -2.34 1.39 0.00 -1.46 0.00 0.00 42.92 40.66 1wk1 s ASP 95 CO 0.04 0.10 1.99 1.55 0.52 0.00 0.00 175.17 179.38 1wk1 h PRO 96 N 5.77 0.00 0.09 4.34 0.13 -2.04 -3.16 132.00 137.13 1wk1 h PRO 96 Ca -0.45 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.54 1wk1 h PRO 96 Cb 1.20 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.34 1wk1 h PRO 96 CO 0.70 0.02 -0.64 1.79 -0.23 0.00 0.00 178.00 179.64 1wk1 h THR 97 N 0.00 1.53 -3.32 1.56 1.35 -1.98 -3.43 112.91 108.62 1wk1 h THR 97 Ca -0.00 -2.45 -0.57 0.00 -0.55 0.00 0.00 66.41 62.84 1wk1 h THR 97 Cb 0.50 3.18 -0.05 0.00 -1.73 0.00 0.00 68.15 70.04 1wk1 h THR 97 CO 0.00 0.66 1.06 -0.13 -0.25 0.00 0.00 175.52 176.87 1wk1 s ARG 98 N -2.36 3.58 -0.00 4.72 0.52 -1.19 -4.33 118.95 119.88 1wk1 s ARG 98 Ca -0.17 0.88 0.00 0.00 -0.52 0.00 0.00 55.73 55.93 1wk1 s ARG 98 Cb 0.00 -4.02 -0.00 0.00 0.52 0.00 0.00 34.95 31.45 1wk1 s ARG 98 CO 0.77 -1.56 0.00 1.04 0.02 0.00 0.00 175.30 175.57 1wk1 n GLN 99 N 8.07 3.64 -3.40 3.54 6.02 -1.14 -4.69 117.38 129.43 1wk1 n GLN 99 Ca 0.16 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.89 1wk1 n GLN 99 Cb 0.48 -1.01 -0.02 0.00 1.02 0.00 0.00 30.24 30.71 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 -2.16 2.81 -0.04 0.00 1.01 -1.20 -0.04 120.40 120.79 1wk1 s VAL 101 Ca 0.41 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1wk1 s VAL 101 Cb -0.10 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1wk1 s VAL 101 CO 0.33 0.49 -0.10 -0.72 0.00 0.00 0.00 175.10 175.10 1wk1 s TYR 102 N -0.79 1.16 -0.18 5.22 -0.85 -0.03 -3.14 117.35 118.74 1wk1 s TYR 102 Ca 0.12 -0.34 -0.29 0.00 -0.52 0.00 0.00 57.07 56.05 1wk1 s TYR 102 Cb -0.10 -0.84 -0.05 0.00 0.38 0.00 0.00 41.96 41.34 1wk1 s TYR 102 CO 0.02 -0.17 2.06 0.12 -1.52 0.00 0.00 175.55 176.07 1wk1 s PHE 103 N 0.39 1.35 -0.69 -3.49 2.19 0.33 -3.30 117.98 114.76 1wk1 s PHE 103 Ca -0.07 0.34 -0.21 0.00 0.33 0.00 0.00 56.93 57.32 1wk1 s PHE 103 Cb -0.12 -4.02 0.09 0.00 -1.31 0.00 0.00 43.02 37.66 1wk1 s PHE 103 CO 0.02 -4.15 0.93 0.34 1.83 0.00 0.00 175.22 174.18 1wk1 s ASP 104 N 6.87 6.26 0.15 6.13 -1.08 0.25 -1.90 116.67 133.35 1wk1 s ASP 104 Ca 0.93 -1.29 -0.10 0.00 -0.52 0.00 0.00 52.55 51.57 1wk1 s ASP 104 Cb -0.33 -2.38 -0.01 0.00 -1.46 0.00 0.00 42.92 38.74 1wk1 s ASP 104 CO 0.36 -1.29 1.50 1.23 0.52 0.00 0.00 175.17 177.49 1wk1 h GLY 105 N 10.83 1.01 0.46 2.66 0.00 -1.60 -3.13 103.07 113.30 1wk1 h GLY 105 Ca -0.21 -1.00 0.11 0.00 0.00 0.00 0.00 47.33 46.23 1wk1 h GLY 105 CO 1.15 0.90 0.50 3.21 0.00 0.00 0.00 176.54 182.30 1wk1 h ARG 106 N 0.77 0.78 -5.45 4.80 3.08 -1.76 -3.39 114.38 113.22 1wk1 h ARG 106 Ca 0.07 -0.05 -0.60 0.00 0.07 0.00 0.00 59.98 59.48 1wk1 h ARG 106 Cb 0.93 -0.18 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 1wk1 h ARG 106 CO 0.09 0.51 1.58 0.45 -1.07 0.00 0.00 179.97 181.53 1wk1 n SER 107 N -4.74 0.75 -0.47 7.04 2.88 -1.18 -4.72 113.62 113.18 1wk1 n SER 107 Ca 0.15 0.31 0.40 0.00 -1.33 0.00 0.00 58.87 58.40 1wk1 n SER 107 Cb 0.32 -0.99 0.73 0.00 -0.75 0.00 0.00 64.21 63.51 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 11.66 0.42 -7.28 0.46 0.00 -1.90 -3.34 103.07 103.08 1wk1 h GLY 108 Ca -0.10 -0.05 -0.66 0.00 0.00 0.00 0.00 47.33 46.52 1wk1 h GLY 108 CO 1.25 -0.10 -0.15 0.99 0.00 0.00 0.00 176.54 178.53 1wk1 s ASP 109 N -4.65 6.25 0.46 0.19 1.01 -1.26 -4.94 116.67 113.73 1wk1 s ASP 109 Ca -0.06 -0.23 0.14 0.00 0.71 0.00 0.00 52.55 53.11 1wk1 s ASP 109 Cb 0.26 -2.24 1.04 0.00 1.01 0.00 0.00 42.92 42.99 1wk1 s ASP 109 CO 0.84 -0.47 2.02 0.07 0.21 0.00 0.00 175.17 177.84 1wk1 h LYS 110 N 8.54 0.03 0.00 8.23 2.10 -1.94 -0.54 116.57 132.99 1wk1 h LYS 110 Ca -0.28 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 1wk1 h LYS 110 Cb 1.13 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1wk1 h LYS 110 CO 0.76 0.16 0.00 -1.13 -2.00 0.00 0.00 179.45 177.24 1wk1 n SER 111 N -4.37 0.00 -1.39 7.07 3.41 -1.26 -3.01 113.62 114.07 1wk1 n SER 111 Ca -0.02 0.40 -0.08 0.00 -0.26 0.00 0.00 58.87 58.90 1wk1 n SER 111 Cb 0.21 -0.46 0.11 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.46 2.49 0.14 4.33 5.02 -0.22 -3.93 118.16 124.53 1wk1 n LYS 112 Ca 0.07 -3.67 0.11 0.00 -2.02 0.00 0.00 58.31 52.79 1wk1 n LYS 112 Cb 0.25 -1.87 0.06 0.00 -0.02 0.00 0.00 35.03 33.45 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 1.97 0.06 -1.62 -0.18 -1.51 -1.44 -3.38 116.25 110.14 1wk1 h VAL 113 Ca 0.16 -1.10 -0.44 0.00 -1.23 0.00 0.00 66.70 64.09 1wk1 h VAL 113 Cb 1.30 1.74 -0.04 0.00 -2.13 0.00 0.00 31.29 32.16 1wk1 h VAL 113 CO 0.37 0.03 1.17 0.26 -1.23 0.00 0.00 177.57 178.18 1wk1 s TRP 114 N -3.27 1.73 -0.07 5.19 0.52 -1.07 -0.58 118.94 121.39 1wk1 s TRP 114 Ca 0.02 0.70 0.05 0.00 0.02 0.00 0.00 56.10 56.89 1wk1 s TRP 114 Cb 0.08 -4.10 -0.00 0.00 -1.15 0.00 0.00 33.47 28.30 1wk1 s TRP 114 CO 0.75 -2.14 -0.22 0.99 0.02 0.00 0.00 176.95 176.34 1wk1 s THR 115 N 9.23 1.87 0.63 2.01 2.01 -1.21 -0.33 115.64 129.86 1wk1 s THR 115 Ca 0.67 -0.94 -0.10 0.00 0.31 0.00 0.00 61.69 61.63 1wk1 s THR 115 Cb -0.11 -1.61 -0.02 0.00 0.01 0.00 0.00 72.50 70.78 1wk1 s THR 115 CO 0.14 0.52 1.02 0.42 -0.69 0.00 0.00 174.62 176.03 1wk1 s THR 116 N 0.11 4.22 -0.07 -0.82 -4.23 -1.26 -0.86 115.64 112.73 1wk1 s THR 116 Ca -0.10 0.59 -0.32 0.00 -1.18 0.00 0.00 61.69 60.69 1wk1 s THR 116 Cb -0.15 -3.70 0.12 0.00 1.34 0.00 0.00 72.50 70.11 1wk1 s THR 116 CO 0.05 -0.88 1.16 -0.62 -0.54 0.00 0.00 174.62 173.80 1wk1 s ASP 117 N -4.25 -0.15 0.47 3.99 2.15 0.95 -4.86 116.67 114.98 1wk1 s ASP 117 Ca 0.55 -0.08 -0.24 0.00 0.43 0.00 0.00 52.55 53.20 1wk1 s ASP 117 Cb -0.11 0.22 -0.07 0.00 -0.30 0.00 0.00 42.92 42.66 1wk1 s ASP 117 CO 0.51 -0.38 1.40 0.28 -0.17 0.00 0.00 175.17 176.81 1wk1 s THR 118 N -2.61 2.12 -0.24 1.71 -1.32 -1.26 -2.35 115.64 111.69 1wk1 s THR 118 Ca 0.11 0.10 0.02 0.00 -1.21 0.00 0.00 61.69 60.71 1wk1 s THR 118 Cb 0.01 -3.06 0.21 0.00 -1.51 0.00 0.00 72.50 68.15 1wk1 s THR 118 CO -0.04 0.01 1.21 0.00 -2.21 0.00 0.00 174.62 173.59 1wk1 n ALA 120 N 0.04 1.47 -2.37 0.00 0.00 -1.26 -3.70 120.51 114.68 1wk1 n ALA 120 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1wk1 n ALA 120 Cb 0.80 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.98 4.04 -0.43 0.00 2.01 -1.21 -4.68 115.64 114.39 1wk1 s THR 121 Ca 0.00 1.39 -0.28 0.00 0.31 0.00 0.00 61.69 63.12 1wk1 s THR 121 Cb 0.00 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 1wk1 s THR 121 CO 0.00 0.01 1.75 -2.16 -0.69 0.00 0.00 174.62 173.53 1wk1 s PRO 122 N 2.19 3.16 0.07 4.92 0.04 -1.26 -4.14 135.00 139.98 1wk1 s PRO 122 Ca 0.59 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 1wk1 s PRO 122 Cb -0.27 -4.23 -0.04 0.00 0.04 0.00 0.00 34.50 30.00 1wk1 s PRO 122 CO 0.24 -2.08 0.00 1.03 0.04 0.00 0.00 177.00 176.23 1wk1 s ARG 123 N 5.96 0.70 0.94 4.56 0.52 -1.19 -4.58 118.95 125.86 1wk1 s ARG 123 Ca 0.73 -1.26 -0.12 0.00 -0.52 0.00 0.00 55.73 54.56 1wk1 s ARG 123 Cb -0.18 0.22 0.15 0.00 0.52 0.00 0.00 34.95 35.67 1wk1 s ARG 123 CO 0.29 -0.16 1.09 -1.25 0.02 0.00 0.00 175.30 175.30 1wk1 s PRO 124 N -3.95 0.93 0.33 3.54 0.04 -1.26 -0.82 135.00 133.81 1wk1 s PRO 124 Ca 0.11 0.70 -0.08 0.00 0.04 0.00 0.00 61.00 61.77 1wk1 s PRO 124 Cb 0.08 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.85 1wk1 s PRO 124 CO -0.07 -2.44 0.56 -0.59 0.04 0.00 0.00 177.00 174.50 1wk1 s PHE 125 N -2.94 0.67 0.02 0.56 -0.71 -1.26 -0.08 117.98 114.23 1wk1 s PHE 125 Ca 0.64 -1.04 0.01 0.00 -1.04 0.00 0.00 56.93 55.50 1wk1 s PHE 125 Cb -0.18 0.21 -0.01 0.00 -1.21 0.00 0.00 43.02 41.82 1wk1 s PHE 125 CO 0.57 -1.21 -0.04 0.42 -1.34 0.00 0.00 175.22 173.61 1wk1 s ILE 126 N -3.09 0.29 0.32 -4.49 1.01 -1.26 -3.04 121.20 110.94 1wk1 s ILE 126 Ca 0.25 -0.67 0.08 0.00 0.00 0.00 0.00 60.65 60.31 1wk1 s ILE 126 Cb -0.02 -0.34 -0.04 0.00 0.01 0.00 0.00 42.46 42.07 1wk1 s ILE 126 CO 0.16 -0.25 0.18 0.00 0.00 0.00 0.00 174.94 175.03 1wk1 s GLN 128 N -3.88 0.66 0.43 0.00 0.74 0.29 -2.71 119.66 115.19 1wk1 s GLN 128 Ca 0.38 -0.36 0.06 0.00 0.05 0.00 0.00 55.36 55.49 1wk1 s GLN 128 Cb -0.04 0.28 0.01 0.00 1.10 0.00 0.00 33.01 34.36 1wk1 s GLN 128 CO 0.24 -0.19 0.60 0.15 -0.55 0.00 0.00 175.29 175.54 1wk1 s LYS 129 N -1.75 2.83 0.02 1.67 1.02 -1.26 -2.42 119.74 119.84 1wk1 s LYS 129 Ca -0.11 -1.09 -0.06 0.00 0.02 0.00 0.00 55.97 54.74 1wk1 s LYS 129 Cb -0.04 -2.71 -0.05 0.00 -0.52 0.00 0.00 37.83 34.51 1wk1 s LYS 129 CO 0.01 -0.31 0.27 -3.38 -0.92 0.00 0.00 175.35 171.02 1wk1 s HIS 130 N -2.41 3.57 0.95 3.18 -3.43 -1.26 -5.02 115.29 110.86 1wk1 s HIS 130 Ca 0.54 0.55 -0.12 0.00 -0.80 0.00 0.00 55.06 55.22 1wk1 s HIS 130 Cb -0.10 -1.97 0.07 0.00 -1.43 0.00 0.00 32.58 29.15 1wk1 s HIS 130 CO 0.34 0.60 0.61 0.54 -2.00 0.00 0.00 174.74 174.83 1wk1 n ARG 131 N 1.01 -0.39 -2.93 -0.38 1.74 -1.26 -4.92 116.66 109.53 1wk1 n ARG 131 Ca -0.10 -0.07 -0.42 0.00 -0.77 0.00 0.00 57.85 56.49 1wk1 n ARG 131 Cb 0.53 -2.00 -0.05 0.00 -1.02 0.00 0.00 32.46 29.92 1wk1 n ARG 131 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1wk1 s TYR 132 N -2.46 3.19 -0.55 -1.55 2.02 -1.26 -5.00 117.35 111.74 1wk1 s TYR 132 Ca 0.60 0.80 0.04 0.00 -0.37 0.00 0.00 57.07 58.14 1wk1 s TYR 132 Cb -0.21 -3.26 0.14 0.00 -0.40 0.00 0.00 41.96 38.23 1wk1 s TYR 132 CO 0.65 -0.59 0.33 -0.51 -1.57 0.00 0.00 175.55 173.85 1wk1 s ASP 133 N 1.64 4.21 -1.74 2.29 1.01 -1.26 -4.84 116.67 117.98 1wk1 s ASP 133 Ca 0.33 -3.19 -0.16 0.00 0.71 0.00 0.00 52.55 50.24 1wk1 s ASP 133 Cb -0.14 -1.47 0.15 0.00 1.01 0.00 0.00 42.92 42.47 1wk1 s ASP 133 CO 0.13 -0.19 0.49 -1.54 0.21 0.00 0.00 175.17 174.27 1wk1 n SER 134 N 2.84 -1.40 -4.48 0.27 3.41 -1.26 -4.70 113.62 108.31 1wk1 n SER 134 Ca 0.11 -1.19 -0.52 0.00 -0.26 0.00 0.00 58.87 57.01 1wk1 n SER 134 Cb 0.34 -1.95 -0.07 0.00 -0.26 0.00 0.00 64.21 62.27 1wk1 n SER 134 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wk1 n ASP 135 N -2.64 2.15 -4.54 4.04 8.00 -1.26 -4.84 116.55 117.46 1wk1 n ASP 135 Ca -0.02 0.53 -0.42 0.00 0.71 0.00 0.00 54.79 55.59 1wk1 n ASP 135 Cb 0.53 -1.23 -0.03 0.00 -0.02 0.00 0.00 41.12 40.37 1wk1 n ASP 135 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1wk1 s HIS 136 N 6.63 2.64 -0.56 1.24 3.76 -1.26 -4.89 115.29 122.85 1wk1 s HIS 136 Ca 1.08 -0.98 0.04 0.00 -0.15 0.00 0.00 55.06 55.05 1wk1 s HIS 136 Cb -0.91 -4.64 0.16 0.00 1.11 0.00 0.00 32.58 28.31 1wk1 s HIS 136 CO 0.52 -1.86 0.39 0.21 -0.85 0.00 0.00 174.74 173.15 1wk1 s LYS 137 N 4.56 1.77 0.20 1.40 2.20 -1.26 -4.94 119.74 123.67 1wk1 s LYS 137 Ca 0.44 -2.71 -0.03 0.00 -0.36 0.00 0.00 55.97 53.31 1wk1 s LYS 137 Cb -0.01 -2.63 0.16 0.00 -1.51 0.00 0.00 37.83 33.84 1wk1 s LYS 137 CO -0.09 -1.29 1.56 -1.00 -0.36 0.00 0.00 175.35 174.17 1wk1 h PRO 138 N 5.76 0.62 -5.55 4.03 0.13 -2.03 -3.39 132.00 131.56 1wk1 h PRO 138 Ca 0.14 -0.33 -0.62 0.00 -0.87 0.00 0.00 66.00 64.32 1wk1 h PRO 138 Cb 0.84 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.84 1wk1 h PRO 138 CO 0.57 0.93 0.73 -0.80 -0.23 0.00 0.00 178.00 179.20 1wk1 s ASN 139 N -6.86 6.27 -0.51 1.44 -0.87 -1.26 -4.99 114.94 108.15 1wk1 s ASN 139 Ca -0.08 -1.11 -0.26 0.00 -1.57 0.00 0.00 52.86 49.83 1wk1 s ASN 139 Cb 0.12 -2.45 0.03 0.00 -0.02 0.00 0.00 41.25 38.94 1wk1 s ASN 139 CO 0.84 -1.44 1.03 0.42 -2.57 0.00 0.00 177.10 175.37 1wk1 s THR 140 N 4.15 4.30 -0.29 1.60 -4.23 -1.26 -4.96 115.64 114.96 1wk1 s THR 140 Ca 0.27 0.75 -0.26 0.00 -1.18 0.00 0.00 61.69 61.27 1wk1 s THR 140 Cb -0.13 -4.56 0.17 0.00 1.34 0.00 0.00 72.50 69.33 1wk1 s THR 140 CO 0.06 -1.05 1.30 -0.51 -0.54 0.00 0.00 174.62 173.88 1wk1 s ILE 141 N 4.19 0.00 0.00 2.99 2.07 -1.26 -5.13 121.20 124.06 1wk1 s ILE 141 Ca 0.39 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.63 1wk1 s ILE 141 Cb -0.10 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.49 1wk1 s ILE 141 CO 0.25 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.89 1wk1 n GLY 142 N 1.64 0.19 3.49 1.50 0.00 -1.26 -4.88 105.19 105.86 1wk1 n GLY 142 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1wk1 n GLY 142 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1wk1 n ASP 143 N -0.86 2.99 -4.52 1.61 5.68 -1.26 -4.87 116.55 115.32 1wk1 n ASP 143 Ca 0.00 -2.70 -0.42 0.00 -0.50 0.00 0.00 54.79 51.17 1wk1 n ASP 143 Cb 0.00 -1.61 -0.03 0.00 -1.14 0.00 0.00 41.12 38.34 1wk1 n ASP 143 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wk1 s ALA 144 N 9.73 2.96 -0.36 2.12 0.00 -1.26 -4.80 121.76 130.14 1wk1 s ALA 144 Ca 0.66 -2.38 0.05 0.00 0.00 0.00 0.00 51.96 50.29 1wk1 s ALA 144 Cb 0.03 -4.33 0.46 0.00 0.00 0.00 0.00 23.12 19.28 1wk1 s ALA 144 CO 0.13 -3.35 1.35 0.45 0.00 0.00 0.00 175.76 174.34 1wk1 n SER 145 N 8.05 5.44 -4.50 0.00 2.88 -1.26 -5.01 113.62 119.22 1wk1 n SER 145 Ca 0.27 -3.76 -0.35 0.00 -1.33 0.00 0.00 58.87 53.70 1wk1 n SER 145 Cb 0.50 -0.46 -0.12 0.00 -0.75 0.00 0.00 64.21 63.38 1wk1 n SER 145 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wk1 s GLY 146 N -3.27 1.79 0.06 0.46 0.00 -1.26 -5.00 107.32 100.09 1wk1 s GLY 146 Ca 0.54 -0.96 -0.19 0.00 0.00 0.00 0.00 44.72 44.11 1wk1 s GLY 146 CO 0.03 0.27 1.37 -0.56 0.00 0.00 0.00 173.10 174.21 1wk1 h PRO 147 N 7.49 0.46 -6.99 2.90 0.13 -2.04 -3.44 132.00 130.50 1wk1 h PRO 147 Ca -0.36 -0.24 -0.46 0.00 -0.87 0.00 0.00 66.00 64.07 1wk1 h PRO 147 Cb 1.18 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1wk1 h PRO 147 CO 0.62 0.81 0.36 0.45 -0.23 0.00 0.00 178.00 180.01 1wk1 s SER 148 N -6.24 6.92 -0.06 1.44 0.15 -1.26 -5.07 113.70 109.58 1wk1 s SER 148 Ca -0.14 1.84 -0.03 0.00 0.70 0.00 0.00 55.95 58.33 1wk1 s SER 148 Cb 0.06 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.84 1wk1 s SER 148 CO 0.77 -0.37 0.13 -0.55 1.20 0.00 0.00 173.24 174.42 1wk1 s SER 149 N -1.86 -0.11 0.00 5.45 0.15 -1.26 -5.15 113.70 110.91 1wk1 s SER 149 Ca 0.59 0.27 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1wk1 s SER 149 Cb -0.16 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1wk1 s SER 149 CO 0.20 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.14