#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk1 n SER 2 N 0.00 -1.40 -4.64 1.61 3.41 -1.26 -4.86 113.62 106.47 1wk1 n SER 2 Ca 0.00 -1.23 -0.30 0.00 -0.26 0.00 0.00 58.87 57.08 1wk1 n SER 2 Cb 0.00 -1.72 0.18 0.00 -0.26 0.00 0.00 64.21 62.41 1wk1 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wk1 s SER 3 N -3.49 2.66 0.00 4.04 0.15 -1.26 -5.03 113.70 110.78 1wk1 s SER 3 Ca 0.66 1.86 0.00 0.00 0.70 0.00 0.00 55.95 59.17 1wk1 s SER 3 Cb -0.38 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 1wk1 s SER 3 CO 1.01 -3.21 0.00 0.61 1.20 0.00 0.00 173.24 172.85 1wk1 n GLY 4 N -0.01 1.62 3.23 9.45 0.00 -1.26 -5.07 105.19 113.16 1wk1 n GLY 4 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.00 0.19 -0.98 1.61 0.15 -1.26 -5.05 113.70 107.36 1wk1 s SER 5 Ca 0.00 -1.10 -0.25 0.00 0.70 0.00 0.00 55.95 55.29 1wk1 s SER 5 Cb 0.00 0.36 -0.19 0.00 -1.71 0.00 0.00 66.02 64.49 1wk1 s SER 5 CO 0.00 -0.81 1.97 -0.24 1.20 0.00 0.00 173.24 175.36 1wk1 n SER 6 N -0.16 2.12 0.00 5.45 2.88 -1.26 -4.56 113.62 118.09 1wk1 n SER 6 Ca -0.05 -2.60 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 1wk1 n SER 6 Cb 0.64 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1wk1 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wk1 n GLY 7 N 5.71 3.06 3.60 0.46 0.00 -1.26 -5.09 105.19 111.66 1wk1 n GLY 7 Ca 0.44 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 2.38 4.99 1.00 1.61 1.01 -1.26 -5.06 120.40 125.07 1wk1 s VAL 8 Ca 0.00 0.81 -0.15 0.00 0.00 0.00 0.00 61.98 62.64 1wk1 s VAL 8 Cb 0.00 -3.93 0.19 0.00 0.00 0.00 0.00 36.38 32.64 1wk1 s VAL 8 CO 0.00 -0.07 1.17 -0.54 0.00 0.00 0.00 175.10 175.66 1wk1 s LYS 9 N 2.48 0.40 0.16 2.72 1.02 -1.26 -5.05 119.74 120.21 1wk1 s LYS 9 Ca 0.23 0.07 0.07 0.00 0.02 0.00 0.00 55.97 56.36 1wk1 s LYS 9 Cb -0.15 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1wk1 s LYS 9 CO 0.11 -2.66 -0.01 -0.06 -0.92 0.00 0.00 175.35 171.81 1wk1 s PHE 10 N -3.32 2.84 -1.65 3.18 0.08 -1.26 -4.54 117.98 113.31 1wk1 s PHE 10 Ca 0.68 -0.13 -0.14 0.00 0.12 0.00 0.00 56.93 57.45 1wk1 s PHE 10 Cb -0.11 -1.39 0.12 0.00 -0.57 0.00 0.00 43.02 41.07 1wk1 s PHE 10 CO 0.54 0.51 0.68 1.28 -0.10 0.00 0.00 175.22 178.13 1wk1 n LEU 11 N 0.00 -1.75 -3.86 -0.37 4.77 -0.30 -4.94 117.00 110.54 1wk1 n LEU 11 Ca -0.10 -1.03 -0.14 0.00 -0.03 0.00 0.00 56.01 54.71 1wk1 n LEU 11 Cb 0.55 -2.08 -0.15 0.00 -2.33 0.00 0.00 43.42 39.41 1wk1 n LEU 11 CO 0.38 0.32 -0.37 0.42 -1.33 0.00 0.00 177.39 176.81 1wk1 s THR 12 N -3.47 0.12 -0.30 -5.08 -4.23 -1.26 -5.04 115.64 96.37 1wk1 s THR 12 Ca 0.57 0.01 -0.29 0.00 -1.18 0.00 0.00 61.69 60.80 1wk1 s THR 12 Cb -0.31 -0.15 -0.01 0.00 1.34 0.00 0.00 72.50 73.37 1wk1 s THR 12 CO 0.93 0.07 1.43 -0.69 -0.54 0.00 0.00 174.62 175.82 1wk1 s VAL 13 N 0.39 3.94 -0.50 2.29 1.01 -1.26 -4.41 120.40 121.86 1wk1 s VAL 13 Ca -0.04 1.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.75 1wk1 s VAL 13 Cb -0.06 -4.02 0.04 0.00 0.00 0.00 0.00 36.38 32.34 1wk1 s VAL 13 CO -0.01 -0.48 0.84 0.20 0.00 0.00 0.00 175.10 175.65 1wk1 s ASN 14 N 3.57 6.37 0.17 3.32 0.01 -0.99 -4.93 114.94 122.44 1wk1 s ASN 14 Ca 0.62 -0.28 -0.12 0.00 -0.71 0.00 0.00 52.86 52.37 1wk1 s ASN 14 Cb -0.19 -2.40 0.18 0.00 0.41 0.00 0.00 41.25 39.25 1wk1 s ASN 14 CO 0.27 -1.05 1.12 0.47 -1.51 0.00 0.00 177.10 176.40 1wk1 n ASP 15 N 6.99 -0.46 -3.53 -1.22 8.00 -1.26 -4.18 116.55 120.88 1wk1 n ASP 15 Ca 0.01 1.25 -0.37 0.00 0.71 0.00 0.00 54.79 56.40 1wk1 n ASP 15 Cb 0.48 -0.29 -0.11 0.00 -0.02 0.00 0.00 41.12 41.17 1wk1 n ASP 15 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1wk1 n ASP 16 N -5.06 0.33 -4.72 -2.24 9.92 -1.26 -4.55 116.55 108.98 1wk1 n ASP 16 Ca 0.07 0.26 -0.42 0.00 -0.53 0.00 0.00 54.79 54.17 1wk1 n ASP 16 Cb 0.29 -0.73 -0.03 0.00 -0.64 0.00 0.00 41.12 40.01 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 6.51 4.65 -0.10 0.53 -4.36 -1.26 -4.49 121.20 122.68 1wk1 s ILE 17 Ca 1.05 1.99 -0.13 0.00 -0.26 0.00 0.00 60.65 63.29 1wk1 s ILE 17 Cb -1.06 -4.27 0.03 0.00 1.25 0.00 0.00 42.46 38.41 1wk1 s ILE 17 CO 0.43 0.20 0.35 -0.76 0.24 0.00 0.00 174.94 175.40 1wk1 s LEU 18 N 0.70 0.66 0.95 0.37 1.43 -0.08 -4.65 118.68 118.07 1wk1 s LEU 18 Ca 0.51 0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 54.07 1wk1 s LEU 18 Cb -0.23 1.27 0.16 0.00 0.03 0.00 0.00 46.19 47.42 1wk1 s LEU 18 CO 0.29 -0.21 1.07 -1.54 0.23 0.00 0.00 176.35 176.19 1wk1 n SER 19 N 2.45 -0.08 -0.17 2.29 3.41 -1.26 -3.11 113.62 117.15 1wk1 n SER 19 Ca -0.15 0.34 -0.03 0.00 -0.26 0.00 0.00 58.87 58.77 1wk1 n SER 19 Cb 0.57 -1.43 0.03 0.00 -0.26 0.00 0.00 64.21 63.12 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 -1.98 -0.06 0.00 4.33 4.05 -1.79 0.72 114.93 120.21 1wk1 h MET 20 Ca -0.45 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1wk1 h MET 20 Cb 1.28 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1wk1 h MET 20 CO 0.41 -0.04 0.00 -0.35 0.23 0.00 0.00 176.91 177.16 1wk1 n PRO 21 N -5.40 0.31 -0.05 0.39 -0.04 -1.26 -2.24 135.00 126.70 1wk1 n PRO 21 Ca 0.05 0.09 -0.04 0.00 -0.04 0.00 0.00 63.50 63.56 1wk1 n PRO 21 Cb 0.31 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 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 2.03 -0.01 0.54 6.02 0.19 -4.36 117.38 120.60 1wk1 n GLN 22 Ca 0.09 -0.02 -0.06 0.00 -0.01 0.00 0.00 57.00 57.00 1wk1 n GLN 22 Cb 0.09 -1.28 -0.05 0.00 1.02 0.00 0.00 30.24 30.02 1wk1 n GLN 22 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wk1 h ALA 23 N 0.59 -0.10 -1.00 -1.58 0.00 0.44 -2.97 119.26 114.65 1wk1 h ALA 23 Ca -0.26 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.64 1wk1 h ALA 23 Cb 1.55 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 19.28 1wk1 h ALA 23 CO 0.01 -0.11 0.61 0.07 0.00 0.00 0.00 179.25 179.83 1wk1 h ARG 24 N -0.99 0.77 -0.27 0.00 0.11 -1.69 0.18 114.38 112.50 1wk1 h ARG 24 Ca -0.01 -0.05 -0.08 0.00 0.10 0.00 0.00 59.98 59.95 1wk1 h ARG 24 Cb 0.39 -0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.29 1wk1 h ARG 24 CO 0.02 0.51 -0.17 -0.97 0.10 0.00 0.00 179.97 179.46 1wk1 h ASN 25 N 0.79 0.46 0.28 0.08 -1.24 -1.76 -2.90 115.58 111.29 1wk1 h ASN 25 Ca 0.56 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.43 1wk1 h ASN 25 Cb 0.83 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.76 1wk1 h ASN 25 CO -0.37 0.65 -0.14 0.15 -1.29 0.00 0.00 177.43 176.43 1wk1 h PHE 26 N 0.43 -0.35 -1.00 0.67 3.04 -0.51 -2.53 116.94 116.69 1wk1 h PHE 26 Ca 0.07 -0.01 0.39 0.00 3.98 0.00 0.00 57.97 62.41 1wk1 h PHE 26 Cb 0.54 0.12 -0.18 0.00 2.56 0.00 0.00 35.95 38.99 1wk1 h PHE 26 CO 0.02 -0.22 0.48 0.00 -2.02 0.00 0.00 178.31 176.57 1wk1 h ALA 28 N 1.98 -0.18 -0.95 0.00 0.00 -1.26 0.61 119.26 119.46 1wk1 h ALA 28 Ca 0.81 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.67 1wk1 h ALA 28 Cb 2.07 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.86 1wk1 h ALA 28 CO -0.77 -0.51 0.60 1.03 0.00 0.00 0.00 179.25 179.60 1wk1 h SER 29 N -0.38 0.94 -0.49 0.00 0.87 0.33 -1.94 113.55 112.87 1wk1 h SER 29 Ca -0.02 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 1wk1 h SER 29 Cb 0.31 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1wk1 h SER 29 CO 0.03 0.57 -0.07 0.00 -0.53 0.00 0.00 176.83 176.84 1wk1 h ALA 30 N 1.46 0.67 0.00 6.23 0.00 -0.97 -3.47 119.26 123.18 1wk1 h ALA 30 Ca 0.43 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wk1 h ALA 30 Cb 0.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1wk1 h ALA 30 CO -0.20 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1wk1 n GLY 31 N -0.29 0.36 0.00 0.00 0.00 -0.31 -5.02 105.19 99.93 1wk1 n GLY 31 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 2.28 3.81 -0.02 0.00 0.20 -4.85 105.19 106.61 1wk1 n GLY 32 Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.65 -0.18 0.31 1.61 1.13 -0.76 -2.45 117.35 115.36 1wk1 s TYR 33 Ca 0.00 -0.22 -0.29 0.00 -1.41 0.00 0.00 57.07 55.15 1wk1 s TYR 33 Cb 0.00 0.68 -0.13 0.00 -1.10 0.00 0.00 41.96 41.41 1wk1 s TYR 33 CO 0.00 -1.08 1.30 1.28 -2.51 0.00 0.00 175.55 174.54 1wk1 n LEU 34 N -0.46 3.24 -4.64 -3.49 4.77 -1.26 0.61 117.00 115.78 1wk1 n LEU 34 Ca -0.05 1.19 -0.42 0.00 -0.03 0.00 0.00 56.01 56.69 1wk1 n LEU 34 Cb 0.60 -1.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.20 1wk1 n LEU 34 CO 0.14 -0.58 0.74 0.00 -1.33 0.00 0.00 177.39 176.37 1wk1 s ALA 35 N -0.79 3.59 0.76 -1.18 0.00 0.04 -4.66 121.76 119.52 1wk1 s ALA 35 Ca 0.59 -0.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.26 1wk1 s ALA 35 Cb -0.60 -3.42 0.06 0.00 0.00 0.00 0.00 23.12 19.15 1wk1 s ALA 35 CO 0.58 -1.14 1.22 0.16 0.00 0.00 0.00 175.76 176.58 1wk1 s ASP 36 N 1.46 3.91 -0.46 0.00 -4.77 -1.26 -3.44 116.67 112.11 1wk1 s ASP 36 Ca 0.38 2.41 0.07 0.00 -3.30 0.00 0.00 52.55 52.11 1wk1 s ASP 36 Cb -0.14 -2.59 0.40 0.00 -1.09 0.00 0.00 42.92 39.49 1wk1 s ASP 36 CO 0.10 -2.46 1.02 0.47 0.70 0.00 0.00 175.17 175.00 1wk1 n ASP 37 N -2.91 3.98 -4.05 2.11 9.92 -1.26 -4.87 116.55 119.46 1wk1 n ASP 37 Ca 0.14 -3.54 -0.32 0.00 -0.53 0.00 0.00 54.79 50.55 1wk1 n ASP 37 Cb 0.50 -0.51 -0.16 0.00 -0.64 0.00 0.00 41.12 40.31 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 -3.40 2.57 0.00 0.64 0.05 -1.26 -4.64 118.68 112.64 1wk1 s LEU 38 Ca 0.45 -0.96 0.00 0.00 0.05 0.00 0.00 54.13 53.67 1wk1 s LEU 38 Cb 0.37 -1.39 0.00 0.00 -2.05 0.00 0.00 46.19 43.12 1wk1 s LEU 38 CO -0.14 -0.12 0.00 0.61 -0.55 0.00 0.00 176.35 176.15 1wk1 n GLY 39 N 4.60 3.42 0.40 -3.48 0.00 -1.26 -4.65 105.19 104.21 1wk1 n GLY 39 Ca -0.16 -0.39 0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 0.12 0.04 1.61 9.92 -1.26 0.23 116.55 127.21 1wk1 n ASP 40 Ca 0.00 0.99 -0.22 0.00 -0.53 0.00 0.00 54.79 55.03 1wk1 n ASP 40 Cb 0.00 -0.49 -0.14 0.00 -0.64 0.00 0.00 41.12 39.85 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 0.51 -0.25 -2.24 5.19 -2.00 -3.19 116.42 114.43 1wk1 h ASP 41 Ca 0.68 -0.91 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1wk1 h ASP 41 Cb 2.32 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 41.65 1wk1 h ASP 41 CO -0.28 1.73 0.16 0.50 -3.12 0.00 0.00 179.24 178.23 1wk1 h LYS 42 N -0.07 0.34 0.65 3.56 1.63 0.25 -1.35 116.57 121.58 1wk1 h LYS 42 Ca -0.33 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.41 1wk1 h LYS 42 Cb 1.95 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 33.51 1wk1 h LYS 42 CO 0.12 0.24 -0.33 -0.97 -3.45 0.00 0.00 179.45 175.07 1wk1 h ASN 43 N 0.33 -0.78 -0.30 4.20 -1.24 -0.70 -2.96 115.58 114.13 1wk1 h ASN 43 Ca 0.09 0.03 0.07 0.00 0.71 0.00 0.00 56.30 57.20 1wk1 h ASN 43 Cb -0.02 0.21 -0.08 0.00 0.73 0.00 0.00 38.32 39.16 1wk1 h ASN 43 CO -0.02 -0.55 -0.32 0.78 -1.29 0.00 0.00 177.43 176.04 1wk1 h ASN 44 N -0.89 -1.04 -0.94 1.15 2.35 -1.53 -0.22 115.58 114.45 1wk1 h ASN 44 Ca -0.09 0.17 0.18 0.00 -0.55 0.00 0.00 56.30 56.02 1wk1 h ASN 44 Cb 0.69 0.47 -0.18 0.00 0.05 0.00 0.00 38.32 39.36 1wk1 h ASN 44 CO 0.14 -0.33 -0.25 0.15 -1.65 0.00 0.00 177.43 175.48 1wk1 h PHE 45 N -0.30 -0.56 -0.22 1.19 3.57 -1.18 0.23 116.94 119.67 1wk1 h PHE 45 Ca 0.14 0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 1wk1 h PHE 45 Cb 0.54 0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.66 1wk1 h PHE 45 CO -0.49 -0.40 -0.03 1.88 -2.23 0.00 0.00 178.31 177.03 1wk1 h TYR 46 N -0.00 0.46 -0.93 0.41 0.05 -1.10 -3.15 116.97 112.70 1wk1 h TYR 46 Ca 0.44 -0.09 0.22 0.00 0.05 0.00 0.00 58.73 59.35 1wk1 h TYR 46 Cb 0.68 -0.11 -0.18 0.00 1.01 0.00 0.00 36.73 38.13 1wk1 h TYR 46 CO -0.74 0.63 -0.12 -1.13 -1.05 0.00 0.00 178.16 175.75 1wk1 n SER 47 N -4.62 -0.23 0.00 3.88 3.41 0.77 0.11 113.62 116.94 1wk1 n SER 47 Ca -0.04 1.60 0.00 0.00 -0.26 0.00 0.00 58.87 60.17 1wk1 n SER 47 Cb 0.27 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1wk1 n SER 47 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wk1 n SER 48 N -5.46 0.00 0.25 4.04 7.64 -0.98 -2.14 113.62 116.97 1wk1 n SER 48 Ca 0.18 0.90 0.12 0.00 1.01 0.00 0.00 58.87 61.08 1wk1 n SER 48 Cb 0.59 -0.40 0.66 0.00 -1.01 0.00 0.00 64.21 64.05 1wk1 n SER 48 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1wk1 h ILE 49 N 0.00 0.00 -0.16 0.44 3.07 -1.39 0.20 117.51 119.66 1wk1 h ILE 49 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1wk1 h ILE 49 Cb 0.00 0.54 0.00 0.00 -0.27 0.00 0.00 36.82 37.09 1wk1 h ILE 49 CO 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.10 1wk1 n ALA 50 N -1.78 2.88 -1.53 0.16 0.00 0.29 -4.82 120.51 115.72 1wk1 n ALA 50 Ca -0.02 -0.53 -0.31 0.00 0.00 0.00 0.00 53.44 52.59 1wk1 n ALA 50 Cb 0.28 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.58 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 0.17 0.61 -3.60 0.00 0.00 0.69 -0.70 120.51 117.66 1wk1 n ALA 51 Ca 0.08 -0.78 -0.26 0.00 0.00 0.00 0.00 53.44 52.48 1wk1 n ALA 51 Cb 0.51 -2.77 0.05 0.00 0.00 0.00 0.00 19.45 17.25 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 12.74 -5.80 -3.85 0.00 3.02 -1.26 -4.93 115.26 115.17 1wk1 n ASN 52 Ca 0.54 -0.57 -0.19 0.00 -0.03 0.00 0.00 54.58 54.33 1wk1 n ASN 52 Cb 0.28 -4.60 -0.16 0.00 -0.61 0.00 0.00 39.78 34.68 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 -3.28 0.41 -0.23 3.41 2.01 0.12 -4.72 115.64 113.35 1wk1 s THR 53 Ca 0.57 -0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.48 1wk1 s THR 53 Cb -0.26 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 1wk1 s THR 53 CO 0.70 0.20 0.04 -1.10 -0.69 0.00 0.00 174.62 173.78 1wk1 s GLN 54 N 1.08 3.62 0.13 4.92 -0.21 -1.26 -2.47 119.66 125.46 1wk1 s GLN 54 Ca -0.09 -0.50 0.04 0.00 0.02 0.00 0.00 55.36 54.83 1wk1 s GLN 54 Cb -0.14 -3.23 -0.04 0.00 1.00 0.00 0.00 33.01 30.60 1wk1 s GLN 54 CO -0.01 -0.14 -0.10 -0.59 -2.12 0.00 0.00 175.29 172.34 1wk1 s PHE 55 N 1.44 1.16 0.89 0.91 -0.71 -1.14 -4.03 117.98 116.51 1wk1 s PHE 55 Ca 0.05 -0.76 -0.11 0.00 -1.04 0.00 0.00 56.93 55.07 1wk1 s PHE 55 Cb -0.15 -0.61 0.12 0.00 -1.21 0.00 0.00 43.02 41.18 1wk1 s PHE 55 CO 0.02 0.03 1.09 -1.58 -1.34 0.00 0.00 175.22 173.44 1wk1 s TRP 56 N -3.18 2.24 0.21 3.49 0.52 0.91 -0.47 118.94 122.65 1wk1 s TRP 56 Ca 0.13 1.37 -0.05 0.00 0.02 0.00 0.00 56.10 57.58 1wk1 s TRP 56 Cb 0.02 -3.15 -0.03 0.00 -1.15 0.00 0.00 33.47 29.16 1wk1 s TRP 56 CO -0.00 -2.40 0.23 0.96 0.02 0.00 0.00 176.95 175.75 1wk1 s ILE 57 N -2.87 0.01 -0.77 2.03 -4.36 -1.22 -4.40 121.20 109.63 1wk1 s ILE 57 Ca 0.64 -1.79 0.09 0.00 -0.26 0.00 0.00 60.65 59.33 1wk1 s ILE 57 Cb -0.19 -2.34 0.09 0.00 1.25 0.00 0.00 42.46 41.27 1wk1 s ILE 57 CO 0.57 -0.06 1.28 0.61 0.24 0.00 0.00 174.94 177.59 1wk1 n GLY 58 N -0.28 -0.72 3.62 6.27 0.00 -1.22 -4.54 105.19 108.31 1wk1 n GLY 58 Ca -0.00 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1wk1 n GLY 58 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wk1 s LEU 59 N -3.48 3.75 -0.09 0.99 2.96 -1.26 -0.31 118.68 121.25 1wk1 s LEU 59 Ca 0.01 0.82 -0.08 0.00 -0.22 0.00 0.00 54.13 54.66 1wk1 s LEU 59 Cb 0.04 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.21 1wk1 s LEU 59 CO 0.11 -1.16 0.24 0.72 -1.32 0.00 0.00 176.35 174.95 1wk1 s PHE 60 N 4.42 -0.28 0.43 5.38 -0.12 -1.03 -2.92 117.98 123.86 1wk1 s PHE 60 Ca 0.51 0.67 -0.23 0.00 -0.05 0.00 0.00 56.93 57.84 1wk1 s PHE 60 Cb -0.11 0.09 -0.09 0.00 -0.63 0.00 0.00 43.02 42.27 1wk1 s PHE 60 CO 0.26 -0.14 1.04 0.21 -0.05 0.00 0.00 175.22 176.54 1wk1 s LYS 61 N 0.31 4.05 0.56 1.99 2.20 -0.37 -1.28 119.74 127.20 1wk1 s LYS 61 Ca -0.01 1.45 0.05 0.00 -0.36 0.00 0.00 55.97 57.10 1wk1 s LYS 61 Cb -0.03 -2.39 0.05 0.00 -1.51 0.00 0.00 37.83 33.95 1wk1 s LYS 61 CO -0.01 -0.23 0.41 1.21 -0.36 0.00 0.00 175.35 176.37 1wk1 s ASN 62 N -1.71 4.60 0.10 1.43 2.47 -0.48 -4.82 114.94 116.53 1wk1 s ASN 62 Ca 0.61 -1.30 -0.32 0.00 0.42 0.00 0.00 52.86 52.27 1wk1 s ASN 62 Cb -0.20 0.52 -0.12 0.00 -1.45 0.00 0.00 41.25 40.00 1wk1 s ASN 62 CO 0.25 -1.15 1.59 0.28 -3.72 0.00 0.00 177.10 174.34 1wk1 h SER 63 N 0.72 -1.24 -0.88 -4.21 0.02 -1.97 -2.25 113.55 103.73 1wk1 h SER 63 Ca -0.36 0.13 0.21 0.00 -0.84 0.00 0.00 61.79 60.92 1wk1 h SER 63 Cb 1.31 0.45 -0.16 0.00 0.14 0.00 0.00 62.40 64.13 1wk1 h SER 63 CO 0.57 -0.53 -0.05 0.44 -1.14 0.00 0.00 176.83 176.12 1wk1 h ASP 64 N -0.74 -0.53 0.00 3.07 3.32 -2.04 -3.44 116.42 116.06 1wk1 h ASP 64 Ca -0.00 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1wk1 h ASP 64 Cb 0.72 0.45 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1wk1 h ASP 64 CO -0.18 -0.27 0.00 0.61 -1.72 0.00 0.00 179.24 177.67 1wk1 n GLY 65 N -1.49 0.67 3.80 2.75 0.00 -0.85 -5.14 105.19 104.93 1wk1 n GLY 65 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 2.91 -0.06 1.61 -0.21 -1.26 -4.82 119.66 117.83 1wk1 s GLN 66 Ca 0.00 -0.81 -0.22 0.00 0.02 0.00 0.00 55.36 54.35 1wk1 s GLN 66 Cb 0.00 -2.68 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 1wk1 s GLN 66 CO 0.00 0.51 0.64 -0.06 -2.12 0.00 0.00 175.29 174.26 1wk1 s PHE 67 N -1.65 3.59 0.48 0.91 0.08 -1.26 -1.39 117.98 118.74 1wk1 s PHE 67 Ca 0.31 1.18 0.01 0.00 0.12 0.00 0.00 56.93 58.54 1wk1 s PHE 67 Cb -0.11 -2.72 0.01 0.00 -0.57 0.00 0.00 43.02 39.63 1wk1 s PHE 67 CO 0.23 0.15 0.08 0.66 -0.10 0.00 0.00 175.22 176.24 1wk1 n TYR 68 N 3.55 0.75 -4.47 0.36 4.02 -0.40 -0.98 117.16 119.98 1wk1 n TYR 68 Ca -0.03 -2.31 -0.30 0.00 -0.01 0.00 0.00 57.90 55.24 1wk1 n TYR 68 Cb 0.51 -0.34 -0.17 0.00 -0.02 0.00 0.00 39.34 39.33 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 -2.68 2.30 0.03 -0.72 0.52 0.11 -2.45 118.94 116.05 1wk1 s TRP 69 Ca 0.06 -1.15 -0.31 0.00 0.02 0.00 0.00 56.10 54.71 1wk1 s TRP 69 Cb -0.00 -1.61 -0.10 0.00 -1.15 0.00 0.00 33.47 30.60 1wk1 s TRP 69 CO 0.04 -0.57 1.92 -3.47 0.02 0.00 0.00 176.95 174.89 1wk1 n ASP 70 N 4.24 3.96 -0.25 2.95 -0.08 0.58 -1.67 116.55 126.27 1wk1 n ASP 70 Ca -0.19 0.94 0.09 0.00 -1.51 0.00 0.00 54.79 54.12 1wk1 n ASP 70 Cb 0.51 -1.49 0.16 0.00 2.34 0.00 0.00 41.12 42.64 1wk1 n ASP 70 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wk1 n ARG 71 N 6.83 1.43 0.00 -0.67 5.12 -1.26 -4.74 116.66 123.36 1wk1 n ARG 71 Ca 0.20 -2.78 0.00 0.00 -1.93 0.00 0.00 57.85 53.34 1wk1 n ARG 71 Cb 0.37 -1.55 0.00 0.00 -1.16 0.00 0.00 32.46 30.12 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 -1.32 0.48 3.60 -0.13 0.00 -1.26 -4.68 105.19 101.88 1wk1 n GLY 72 Ca 0.17 -2.31 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.62 3.74 0.00 1.61 0.74 -1.26 -3.91 119.66 119.96 1wk1 s GLN 73 Ca 0.00 0.54 0.00 0.00 0.05 0.00 0.00 55.36 55.95 1wk1 s GLN 73 Cb 0.00 -3.87 0.00 0.00 1.10 0.00 0.00 33.01 30.24 1wk1 s GLN 73 CO 0.00 -1.21 0.00 0.41 -0.55 0.00 0.00 175.29 173.94 1wk1 n GLY 74 N 4.67 1.92 3.63 2.59 0.00 -1.26 -4.98 105.19 111.75 1wk1 n GLY 74 Ca 0.10 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1wk1 n GLY 74 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1wk1 n ILE 75 N 0.00 2.06 -1.87 -0.61 2.08 -1.25 -4.85 119.36 114.92 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 -1.20 -0.03 0.00 -0.75 0.00 0.00 39.64 37.66 1wk1 n ILE 75 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1wk1 s ASN 76 N -0.51 6.57 0.56 4.38 -0.87 -1.26 -4.54 114.94 119.27 1wk1 s ASN 76 Ca 0.58 2.44 0.00 0.00 -1.57 0.00 0.00 52.86 54.31 1wk1 s ASN 76 Cb -0.64 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.06 1wk1 s ASN 76 CO 0.60 -0.97 0.00 -0.81 -2.57 0.00 0.00 177.10 173.36 1wk1 n PRO 77 N 6.99 -0.13 -4.38 -0.60 -0.04 -1.26 -4.69 135.00 130.90 1wk1 n PRO 77 Ca 0.18 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.34 1wk1 n PRO 77 Cb 0.42 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.71 1wk1 n PRO 77 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1wk1 s ASP 78 N -1.51 2.75 -0.02 3.54 -1.08 -0.67 -4.82 116.67 114.86 1wk1 s ASP 78 Ca 0.00 -0.51 -0.30 0.00 -0.52 0.00 0.00 52.55 51.22 1wk1 s ASP 78 Cb 0.00 -1.25 -0.06 0.00 -1.46 0.00 0.00 42.92 40.15 1wk1 s ASP 78 CO 0.00 0.01 1.59 -0.22 0.52 0.00 0.00 175.17 177.08 1wk1 s LEU 79 N 1.09 4.33 -0.62 -1.34 1.98 -1.26 0.08 118.68 122.94 1wk1 s LEU 79 Ca -0.03 2.26 -0.26 0.00 -2.89 0.00 0.00 54.13 53.21 1wk1 s LEU 79 Cb -0.14 -3.55 -0.09 0.00 0.66 0.00 0.00 46.19 43.07 1wk1 s LEU 79 CO -0.05 -0.87 2.37 -0.22 -1.89 0.00 0.00 176.35 175.69 1wk1 s LEU 80 N 3.35 3.19 -0.00 -0.68 2.96 -0.16 -4.62 118.68 122.73 1wk1 s LEU 80 Ca 0.71 0.61 0.04 0.00 -0.22 0.00 0.00 54.13 55.27 1wk1 s LEU 80 Cb -0.34 -2.52 -0.06 0.00 0.50 0.00 0.00 46.19 43.77 1wk1 s LEU 80 CO 0.29 -3.23 0.11 -3.20 -1.32 0.00 0.00 176.35 169.01 1wk1 n ASN 81 N 16.74 2.92 -4.40 3.68 2.85 -1.26 -4.91 115.26 130.89 1wk1 n ASN 81 Ca 0.40 -0.18 -0.47 0.00 -0.11 0.00 0.00 54.58 54.22 1wk1 n ASN 81 Cb 0.50 1.13 -0.02 0.00 1.24 0.00 0.00 39.78 42.63 1wk1 n ASN 81 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wk1 n GLN 82 N -1.48 0.09 0.24 1.20 10.64 -1.26 -4.83 117.38 121.98 1wk1 n GLN 82 Ca -0.00 0.03 0.12 0.00 -1.83 0.00 0.00 57.00 55.32 1wk1 n GLN 82 Cb 0.09 -1.06 0.56 0.00 -0.86 0.00 0.00 30.24 28.98 1wk1 n GLN 82 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 1wk1 h PRO 83 N 0.96 0.00 -5.64 2.61 0.13 -2.02 -3.43 132.00 124.61 1wk1 h PRO 83 Ca -0.30 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.18 1wk1 h PRO 83 Cb 1.43 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.42 1wk1 h PRO 83 CO 0.56 0.17 -0.58 0.42 -0.23 0.00 0.00 178.00 178.34 1wk1 s ILE 84 N -3.77 4.66 0.07 -3.56 1.01 -1.26 -5.11 121.20 113.25 1wk1 s ILE 84 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.55 1wk1 s ILE 84 Cb 0.11 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 1wk1 s ILE 84 CO 0.61 0.55 -0.05 0.42 0.00 0.00 0.00 174.94 176.48 1wk1 s THR 85 N -0.43 0.44 -0.27 2.92 -4.23 -1.26 -5.00 115.64 107.82 1wk1 s THR 85 Ca 0.09 -1.83 0.09 0.00 -1.18 0.00 0.00 61.69 58.86 1wk1 s THR 85 Cb -0.12 -1.55 0.46 0.00 1.34 0.00 0.00 72.50 72.63 1wk1 s THR 85 CO 0.02 -0.92 1.32 -1.22 -0.54 0.00 0.00 174.62 173.28 1wk1 n TYR 86 N 0.10 0.93 -1.77 3.99 4.01 -1.26 -4.98 117.16 118.19 1wk1 n TYR 86 Ca -0.14 -1.71 -0.42 0.00 -0.16 0.00 0.00 57.90 55.48 1wk1 n TYR 86 Cb 0.61 -0.38 -0.02 0.00 -0.31 0.00 0.00 39.34 39.23 1wk1 n TYR 86 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1wk1 s TRP 87 N -3.33 2.83 1.21 -0.72 0.52 -1.16 -2.25 118.94 116.03 1wk1 s TRP 87 Ca 0.43 0.63 -0.17 0.00 0.02 0.00 0.00 56.10 57.01 1wk1 s TRP 87 Cb 0.39 -4.08 0.29 0.00 -1.15 0.00 0.00 33.47 28.92 1wk1 s TRP 87 CO -0.03 -3.81 1.05 0.00 0.02 0.00 0.00 176.95 174.18 1wk1 s ALA 88 N 0.46 0.11 -0.35 0.98 0.00 -0.77 -4.46 121.76 117.73 1wk1 s ALA 88 Ca 0.67 -0.64 -0.40 0.00 0.00 0.00 0.00 51.96 51.60 1wk1 s ALA 88 Cb -0.48 -3.02 -0.15 0.00 0.00 0.00 0.00 23.12 19.47 1wk1 s ALA 88 CO 0.42 -3.74 1.94 -1.71 0.00 0.00 0.00 175.76 172.67 1wk1 n ASN 89 N -4.89 1.96 0.00 0.00 4.05 -1.26 0.45 115.26 115.57 1wk1 n ASN 89 Ca 0.09 0.81 0.00 0.00 0.45 0.00 0.00 54.58 55.93 1wk1 n ASN 89 Cb 0.58 -1.12 0.00 0.00 1.23 0.00 0.00 39.78 40.47 1wk1 n ASN 89 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wk1 n GLY 90 N 5.49 2.43 3.65 8.20 0.00 -1.26 -5.00 105.19 118.70 1wk1 n GLY 90 Ca 0.36 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 1wk1 n GLY 90 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wk1 n GLU 91 N 0.00 0.41 -2.26 1.61 4.71 0.17 -4.42 120.64 120.87 1wk1 n GLU 91 Ca 0.00 0.20 -0.37 0.00 -0.01 0.00 0.00 57.16 56.98 1wk1 n GLU 91 Cb 0.00 -2.33 -0.01 0.00 -1.01 0.00 0.00 31.44 28.09 1wk1 n GLU 91 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1wk1 s PRO 92 N -3.67 3.75 0.67 3.49 0.04 -1.26 -4.51 135.00 133.51 1wk1 s PRO 92 Ca 0.74 1.77 -0.10 0.00 0.04 0.00 0.00 61.00 63.45 1wk1 s PRO 92 Cb -0.32 -2.40 0.01 0.00 0.04 0.00 0.00 34.50 31.82 1wk1 s PRO 92 CO 0.50 -0.56 1.04 0.45 0.04 0.00 0.00 177.00 178.47 1wk1 s SER 93 N -1.36 5.57 -0.44 6.66 0.15 -1.26 -5.01 113.70 118.01 1wk1 s SER 93 Ca 0.64 1.07 0.04 0.00 0.70 0.00 0.00 55.95 58.39 1wk1 s SER 93 Cb -0.29 -1.94 0.44 0.00 -1.71 0.00 0.00 66.02 62.53 1wk1 s SER 93 CO 0.35 -1.22 1.42 0.59 1.20 0.00 0.00 173.24 175.58 1wk1 n ASN 94 N -2.88 5.69 -4.78 5.45 4.13 -1.26 -5.03 115.26 116.58 1wk1 n ASN 94 Ca 0.06 -3.76 -0.39 0.00 1.68 0.00 0.00 54.58 52.18 1wk1 n ASN 94 Cb 0.57 -0.56 -0.06 0.00 -1.54 0.00 0.00 39.78 38.20 1wk1 n ASN 94 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1wk1 s ASP 95 N -3.02 6.98 0.22 6.41 1.01 -1.26 -4.98 116.67 122.02 1wk1 s ASP 95 Ca 0.54 1.16 -0.01 0.00 0.71 0.00 0.00 52.55 54.94 1wk1 s ASP 95 Cb 0.43 -2.35 0.21 0.00 1.01 0.00 0.00 42.92 42.22 1wk1 s ASP 95 CO -0.05 0.15 1.58 1.55 0.21 0.00 0.00 175.17 178.61 1wk1 h PRO 96 N 5.35 0.54 -0.04 8.23 0.13 -2.05 -3.20 132.00 140.98 1wk1 h PRO 96 Ca -0.46 -0.29 -0.25 0.00 -0.87 0.00 0.00 66.00 64.13 1wk1 h PRO 96 Cb 1.20 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.36 1wk1 h PRO 96 CO 0.68 0.87 -0.95 1.79 -0.23 0.00 0.00 178.00 180.16 1wk1 h THR 97 N 0.44 1.30 -3.45 1.56 1.35 -2.00 -3.42 112.91 108.70 1wk1 h THR 97 Ca 0.03 -2.21 -0.60 0.00 -0.55 0.00 0.00 66.41 63.08 1wk1 h THR 97 Cb 0.94 2.28 -0.10 0.00 -1.73 0.00 0.00 68.15 69.54 1wk1 h THR 97 CO 0.08 0.68 0.43 -0.13 -0.25 0.00 0.00 175.52 176.34 1wk1 s ARG 98 N -3.42 3.92 0.00 4.72 0.52 -1.21 -4.38 118.95 119.10 1wk1 s ARG 98 Ca -0.09 0.56 0.00 0.00 -0.52 0.00 0.00 55.73 55.68 1wk1 s ARG 98 Cb 0.08 -3.75 0.00 0.00 0.52 0.00 0.00 34.95 31.80 1wk1 s ARG 98 CO 0.91 -0.74 0.00 1.04 0.02 0.00 0.00 175.30 176.53 1wk1 n GLN 99 N 6.32 0.73 -2.09 3.54 6.02 -1.20 -4.50 117.38 126.20 1wk1 n GLN 99 Ca 0.04 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.75 1wk1 n GLN 99 Cb 0.48 -0.83 0.06 0.00 1.02 0.00 0.00 30.24 30.97 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 -3.28 0.47 0.01 0.00 1.01 -1.15 -0.39 120.40 117.07 1wk1 s VAL 101 Ca 0.58 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.93 1wk1 s VAL 101 Cb -0.11 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 1wk1 s VAL 101 CO 0.48 -0.14 -0.08 -0.72 0.00 0.00 0.00 175.10 174.64 1wk1 s TYR 102 N -0.77 0.68 -0.11 5.22 -0.85 -0.98 -3.40 117.35 117.15 1wk1 s TYR 102 Ca -0.04 -0.23 -0.29 0.00 -0.52 0.00 0.00 57.07 55.98 1wk1 s TYR 102 Cb -0.06 -0.42 -0.05 0.00 0.38 0.00 0.00 41.96 41.81 1wk1 s TYR 102 CO 0.00 -0.02 1.66 0.12 -1.52 0.00 0.00 175.55 175.79 1wk1 s PHE 103 N -0.53 1.99 -1.09 -3.49 2.19 0.38 -3.13 117.98 114.31 1wk1 s PHE 103 Ca -0.01 0.31 -0.17 0.00 0.33 0.00 0.00 56.93 57.39 1wk1 s PHE 103 Cb -0.05 -3.93 0.13 0.00 -1.31 0.00 0.00 43.02 37.86 1wk1 s PHE 103 CO 0.00 -3.59 1.37 0.34 1.83 0.00 0.00 175.22 175.17 1wk1 s ASP 104 N 3.74 6.80 0.31 6.13 -1.08 0.15 -2.88 116.67 129.84 1wk1 s ASP 104 Ca 0.74 -2.37 -0.01 0.00 -0.52 0.00 0.00 52.55 50.39 1wk1 s ASP 104 Cb -0.31 -2.45 0.50 0.00 -1.46 0.00 0.00 42.92 39.20 1wk1 s ASP 104 CO 0.29 -1.02 1.97 1.23 0.52 0.00 0.00 175.17 178.16 1wk1 h GLY 105 N 10.79 1.13 1.48 2.66 0.00 -1.65 -1.97 103.07 115.50 1wk1 h GLY 105 Ca 0.26 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1wk1 h GLY 105 CO 1.25 0.39 0.22 3.21 0.00 0.00 0.00 176.54 181.61 1wk1 h ARG 106 N 1.05 0.68 -5.36 4.80 3.08 -1.77 -3.35 114.38 113.52 1wk1 h ARG 106 Ca 0.30 -0.08 -0.48 0.00 0.07 0.00 0.00 59.98 59.79 1wk1 h ARG 106 Cb -0.07 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 1wk1 h ARG 106 CO -0.07 0.54 1.68 0.45 -1.07 0.00 0.00 179.97 181.50 1wk1 n SER 107 N -4.38 1.45 -0.26 7.04 2.88 -0.74 -4.76 113.62 114.84 1wk1 n SER 107 Ca 0.04 -0.19 0.17 0.00 -1.33 0.00 0.00 58.87 57.56 1wk1 n SER 107 Cb 0.13 -1.29 0.32 0.00 -0.75 0.00 0.00 64.21 62.62 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 6.24 -0.88 3.75 0.46 0.00 -1.26 -4.23 105.19 109.26 1wk1 n GLY 108 Ca 0.50 0.72 -0.40 0.00 0.00 0.00 0.00 46.02 46.83 1wk1 n GLY 108 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wk1 s ASP 109 N -4.85 7.51 0.20 1.61 2.15 -1.26 -4.95 116.67 117.07 1wk1 s ASP 109 Ca -0.09 2.06 0.23 0.00 0.43 0.00 0.00 52.55 55.19 1wk1 s ASP 109 Cb 0.25 -2.62 0.23 0.00 -0.30 0.00 0.00 42.92 40.48 1wk1 s ASP 109 CO 0.61 0.05 1.27 0.07 -0.17 0.00 0.00 175.17 177.01 1wk1 h LYS 110 N 4.04 0.00 0.00 4.34 2.10 -1.95 -3.29 116.57 121.80 1wk1 h LYS 110 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1wk1 h LYS 110 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1wk1 h LYS 110 CO 0.68 0.00 -0.80 0.45 -2.00 0.00 0.00 179.45 177.78 1wk1 n SER 111 N -2.46 0.67 -1.14 7.07 2.88 -1.26 -3.92 113.62 115.46 1wk1 n SER 111 Ca 0.02 0.01 -0.03 0.00 -1.33 0.00 0.00 58.87 57.54 1wk1 n SER 111 Cb 0.49 0.41 0.20 0.00 -0.75 0.00 0.00 64.21 64.57 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 -2.09 1.89 0.07 -1.46 5.02 -1.24 -3.01 118.16 117.35 1wk1 n LYS 112 Ca 0.03 -3.17 -0.12 0.00 -2.02 0.00 0.00 58.31 53.03 1wk1 n LYS 112 Cb 0.44 -1.81 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 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 1.04 1.42 -2.80 -0.18 -1.51 -1.63 -3.38 116.25 109.21 1wk1 h VAL 113 Ca 0.21 -2.45 -0.52 0.00 -1.23 0.00 0.00 66.70 62.70 1wk1 h VAL 113 Cb 1.64 2.40 0.06 0.00 -2.13 0.00 0.00 31.29 33.25 1wk1 h VAL 113 CO 0.37 0.73 0.95 0.26 -1.23 0.00 0.00 177.57 178.65 1wk1 s TRP 114 N -3.28 2.95 -0.16 5.19 0.52 -0.95 0.34 118.94 123.54 1wk1 s TRP 114 Ca -0.05 0.50 -0.07 0.00 0.02 0.00 0.00 56.10 56.50 1wk1 s TRP 114 Cb 0.09 -4.05 0.07 0.00 -1.15 0.00 0.00 33.47 28.44 1wk1 s TRP 114 CO 0.86 -3.89 0.36 0.99 0.02 0.00 0.00 176.95 175.29 1wk1 s THR 115 N 1.03 -0.37 0.32 2.01 2.01 -1.18 -1.84 115.64 117.62 1wk1 s THR 115 Ca 0.72 0.18 -0.28 0.00 0.31 0.00 0.00 61.69 62.61 1wk1 s THR 115 Cb -0.47 -0.57 -0.09 0.00 0.01 0.00 0.00 72.50 71.38 1wk1 s THR 115 CO 0.33 0.07 1.15 0.42 -0.69 0.00 0.00 174.62 175.91 1wk1 s THR 116 N 2.12 3.27 0.18 -0.82 -4.23 -1.26 -2.32 115.64 112.59 1wk1 s THR 116 Ca -0.04 1.22 -0.20 0.00 -1.18 0.00 0.00 61.69 61.49 1wk1 s THR 116 Cb -0.11 -3.75 0.05 0.00 1.34 0.00 0.00 72.50 70.02 1wk1 s THR 116 CO -0.11 0.25 0.57 -1.81 -0.54 0.00 0.00 174.62 172.97 1wk1 s ASP 117 N -0.89 -0.39 0.58 3.99 1.11 0.48 -4.96 116.67 116.59 1wk1 s ASP 117 Ca 0.49 -0.27 -0.20 0.00 0.18 0.00 0.00 52.55 52.74 1wk1 s ASP 117 Cb -0.33 0.60 -0.03 0.00 1.07 0.00 0.00 42.92 44.22 1wk1 s ASP 117 CO 0.42 -1.03 1.33 0.28 1.18 0.00 0.00 175.17 177.34 1wk1 s THR 118 N -3.82 2.10 -0.21 -1.27 -1.32 -1.26 -2.28 115.64 107.58 1wk1 s THR 118 Ca 0.05 0.07 0.02 0.00 -1.21 0.00 0.00 61.69 60.61 1wk1 s THR 118 Cb -0.01 -3.03 0.24 0.00 -1.51 0.00 0.00 72.50 68.18 1wk1 s THR 118 CO -0.07 -0.01 1.29 0.00 -2.21 0.00 0.00 174.62 173.62 1wk1 n ALA 120 N -0.05 1.73 -2.33 0.00 0.00 -1.26 -3.84 120.51 114.76 1wk1 n ALA 120 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 1wk1 n ALA 120 Cb 0.88 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.08 4.04 -0.41 0.00 2.01 -1.22 -4.73 115.64 114.25 1wk1 s THR 121 Ca 0.00 1.33 -0.28 0.00 0.31 0.00 0.00 61.69 63.05 1wk1 s THR 121 Cb 0.00 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 1wk1 s THR 121 CO 0.00 -0.06 1.74 -2.16 -0.69 0.00 0.00 174.62 173.45 1wk1 s PRO 122 N 2.99 3.21 0.05 4.92 0.04 -1.26 -4.17 135.00 140.79 1wk1 s PRO 122 Ca 0.60 1.13 -0.01 0.00 0.04 0.00 0.00 61.00 62.76 1wk1 s PRO 122 Cb -0.26 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.03 1wk1 s PRO 122 CO 0.21 -2.01 -0.02 1.03 0.04 0.00 0.00 177.00 176.25 1wk1 s ARG 123 N 5.85 0.62 0.94 4.56 0.52 -1.18 -4.63 118.95 125.63 1wk1 s ARG 123 Ca 0.73 -1.21 -0.12 0.00 -0.52 0.00 0.00 55.73 54.62 1wk1 s ARG 123 Cb -0.18 0.21 0.16 0.00 0.52 0.00 0.00 34.95 35.66 1wk1 s ARG 123 CO 0.30 -0.12 1.09 -1.25 0.02 0.00 0.00 175.30 175.35 1wk1 s PRO 124 N -3.90 0.87 0.29 3.54 0.04 -1.26 -0.90 135.00 133.68 1wk1 s PRO 124 Ca 0.07 0.68 0.01 0.00 0.04 0.00 0.00 61.00 61.80 1wk1 s PRO 124 Cb 0.08 -1.77 -0.00 0.00 0.04 0.00 0.00 34.50 32.84 1wk1 s PRO 124 CO -0.10 -2.47 0.35 1.97 0.04 0.00 0.00 177.00 176.79 1wk1 n PHE 125 N -4.02 -1.08 -3.66 0.56 -1.74 -1.26 -0.06 117.46 106.20 1wk1 n PHE 125 Ca 0.06 -2.10 -0.22 0.00 -0.56 0.00 0.00 57.45 54.63 1wk1 n PHE 125 Cb 0.56 0.39 -0.18 0.00 1.52 0.00 0.00 39.48 41.77 1wk1 n PHE 125 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 1wk1 s ILE 126 N -2.88 -0.07 0.24 1.97 1.01 -1.26 -2.35 121.20 117.86 1wk1 s ILE 126 Ca 0.27 0.28 -0.17 0.00 0.00 0.00 0.00 60.65 61.03 1wk1 s ILE 126 Cb 0.00 -0.27 -0.08 0.00 0.01 0.00 0.00 42.46 42.12 1wk1 s ILE 126 CO 0.20 0.08 0.69 0.00 0.00 0.00 0.00 174.94 175.91 1wk1 s GLN 128 N -2.32 0.57 0.10 0.00 0.74 0.20 -1.15 119.66 117.79 1wk1 s GLN 128 Ca 0.46 -1.04 -0.00 0.00 0.05 0.00 0.00 55.36 54.82 1wk1 s GLN 128 Cb -0.14 0.07 -0.04 0.00 1.10 0.00 0.00 33.01 33.99 1wk1 s GLN 128 CO 0.20 -0.06 0.26 0.15 -0.55 0.00 0.00 175.29 175.28 1wk1 s LYS 129 N -3.07 3.47 0.69 1.67 -0.14 -1.26 -1.83 119.74 119.27 1wk1 s LYS 129 Ca 0.00 -0.42 -0.11 0.00 -1.36 0.00 0.00 55.97 54.08 1wk1 s LYS 129 Cb 0.01 -2.99 0.01 0.00 -1.68 0.00 0.00 37.83 33.18 1wk1 s LYS 129 CO -0.06 0.56 1.06 -3.38 -0.76 0.00 0.00 175.35 172.77 1wk1 s HIS 130 N -1.60 3.26 -0.50 3.18 -3.43 -1.26 -4.98 115.29 109.96 1wk1 s HIS 130 Ca 0.36 1.27 -0.28 0.00 -0.80 0.00 0.00 55.06 55.60 1wk1 s HIS 130 Cb -0.12 -2.91 0.02 0.00 -1.43 0.00 0.00 32.58 28.14 1wk1 s HIS 130 CO 0.28 -1.15 1.31 1.03 -2.00 0.00 0.00 174.74 174.20 1wk1 s ARG 131 N -5.16 3.52 0.21 -0.38 3.00 -1.26 -4.98 118.95 113.91 1wk1 s ARG 131 Ca 0.58 0.60 -0.31 0.00 0.00 0.00 0.00 55.73 56.60 1wk1 s ARG 131 Cb -0.13 -4.02 -0.10 0.00 0.00 0.00 0.00 34.95 30.70 1wk1 s ARG 131 CO 0.54 -1.65 1.50 -0.47 0.00 0.00 0.00 175.30 175.22 1wk1 s TYR 132 N 5.30 3.03 -0.58 -0.53 6.14 -1.26 -4.96 117.35 124.48 1wk1 s TYR 132 Ca 0.53 0.85 -0.18 0.00 0.64 0.00 0.00 57.07 58.92 1wk1 s TYR 132 Cb -0.10 -3.87 0.12 0.00 0.42 0.00 0.00 41.96 38.53 1wk1 s TYR 132 CO 0.29 -3.00 0.63 0.34 0.64 0.00 0.00 175.55 174.45 1wk1 s ASP 133 N 0.70 6.21 -0.24 4.32 -1.08 -1.26 -5.04 116.67 120.29 1wk1 s ASP 133 Ca 0.64 -1.64 -0.20 0.00 -0.52 0.00 0.00 52.55 50.83 1wk1 s ASP 133 Cb -0.43 -2.26 -0.02 0.00 -1.46 0.00 0.00 42.92 38.75 1wk1 s ASP 133 CO 0.38 -0.99 0.62 -0.94 0.52 0.00 0.00 175.17 174.76 1wk1 s SER 134 N 3.57 6.59 0.23 -0.34 1.04 -1.26 -5.06 113.70 118.47 1wk1 s SER 134 Ca 0.08 0.72 0.05 0.00 0.48 0.00 0.00 55.95 57.28 1wk1 s SER 134 Cb -0.26 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 1wk1 s SER 134 CO 0.04 -0.34 0.35 1.51 0.98 0.00 0.00 173.24 175.78 1wk1 s ASP 135 N 1.41 6.31 -0.34 7.02 1.47 -1.26 -4.98 116.67 126.29 1wk1 s ASP 135 Ca 0.26 0.08 -0.43 0.00 1.18 0.00 0.00 52.55 53.64 1wk1 s ASP 135 Cb -0.16 -1.86 -0.18 0.00 -0.34 0.00 0.00 42.92 40.38 1wk1 s ASP 135 CO 0.09 -0.06 1.59 0.00 0.68 0.00 0.00 175.17 177.48 1wk1 n HIS 136 N -1.31 1.76 -3.93 2.11 -0.00 -1.26 -4.94 115.22 107.65 1wk1 n HIS 136 Ca -0.09 0.89 -0.09 0.00 -0.00 0.00 0.00 57.72 58.43 1wk1 n HIS 136 Cb 0.57 -2.31 -0.09 0.00 -0.00 0.00 0.00 29.99 28.16 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 2.81 0.63 0.41 -1.40 -0.14 -1.26 -5.12 119.74 115.66 1wk1 s LYS 137 Ca 1.00 -0.82 -0.25 0.00 -1.36 0.00 0.00 55.97 54.54 1wk1 s LYS 137 Cb -1.29 0.25 -0.08 0.00 -1.68 0.00 0.00 37.83 35.02 1wk1 s LYS 137 CO 0.72 -0.16 1.19 -1.25 -0.76 0.00 0.00 175.35 175.09 1wk1 s PRO 138 N -2.91 4.01 -0.56 -1.68 0.04 -1.26 -3.30 135.00 129.34 1wk1 s PRO 138 Ca -0.02 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1wk1 s PRO 138 Cb 0.01 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1wk1 s PRO 138 CO -0.06 -0.37 0.00 -1.71 0.04 0.00 0.00 177.00 174.90 1wk1 n ASN 139 N 0.03 -2.72 -3.26 6.66 2.85 -1.26 -5.02 115.26 112.54 1wk1 n ASN 139 Ca 0.04 0.02 -0.18 0.00 -0.11 0.00 0.00 54.58 54.36 1wk1 n ASN 139 Cb 0.46 -1.83 -0.07 0.00 1.24 0.00 0.00 39.78 39.59 1wk1 n ASN 139 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1wk1 s THR 140 N -2.30 0.00 -0.27 -0.44 -4.23 -1.21 -5.15 115.64 102.05 1wk1 s THR 140 Ca 0.00 -1.87 -0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1wk1 s THR 140 Cb 0.00 -2.56 0.08 0.00 1.34 0.00 0.00 72.50 71.36 1wk1 s THR 140 CO 0.00 0.00 0.05 -0.63 -0.54 0.00 0.00 174.62 173.50 1wk1 s ILE 141 N -3.25 1.01 0.00 2.99 -1.09 -1.26 -4.95 121.20 114.64 1wk1 s ILE 141 Ca 0.38 -1.21 0.00 0.00 -2.23 0.00 0.00 60.65 57.59 1wk1 s ILE 141 Cb 0.01 -1.60 0.00 0.00 -1.58 0.00 0.00 42.46 39.29 1wk1 s ILE 141 CO 0.26 -0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.15 1wk1 n GLY 142 N 4.82 1.54 3.57 6.18 0.00 -1.26 -5.10 105.19 114.94 1wk1 n GLY 142 Ca -0.05 -0.94 -0.06 0.00 0.00 0.00 0.00 46.02 44.96 1wk1 n GLY 142 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wk1 s ASP 143 N -0.91 -0.22 0.49 1.61 2.15 -1.26 -4.98 116.67 113.55 1wk1 s ASP 143 Ca 0.00 0.04 0.05 0.00 0.43 0.00 0.00 52.55 53.07 1wk1 s ASP 143 Cb 0.00 0.22 0.03 0.00 -0.30 0.00 0.00 42.92 42.87 1wk1 s ASP 143 CO 0.00 -0.35 0.68 0.00 -0.17 0.00 0.00 175.17 175.33 1wk1 s ALA 144 N -2.44 4.26 -0.11 3.66 0.00 -1.26 -4.87 121.76 121.01 1wk1 s ALA 144 Ca 0.07 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.35 1wk1 s ALA 144 Cb -0.01 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1wk1 s ALA 144 CO -0.06 -0.54 -0.23 0.45 0.00 0.00 0.00 175.76 175.39 1wk1 n SER 145 N -2.10 1.36 0.00 0.00 2.88 -1.26 -5.10 113.62 109.40 1wk1 n SER 145 Ca 0.09 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 1wk1 n SER 145 Cb 0.59 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 1wk1 n SER 145 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wk1 n GLY 146 N 1.74 0.46 1.20 0.46 0.00 -1.26 -5.17 105.19 102.62 1wk1 n GLY 146 Ca -0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 1wk1 n GLY 146 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wk1 n PRO 147 N 0.00 -1.74 -4.15 1.61 -0.04 -1.26 -5.08 135.00 124.33 1wk1 n PRO 147 Ca 0.00 -0.60 -0.17 0.00 -0.04 0.00 0.00 63.50 62.69 1wk1 n PRO 147 Cb 0.00 -0.56 -0.15 0.00 -0.04 0.00 0.00 33.50 32.75 1wk1 n PRO 147 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wk1 s SER 148 N -2.52 0.69 0.02 3.54 0.01 -1.26 -5.15 113.70 109.03 1wk1 s SER 148 Ca 0.24 -0.10 -0.05 0.00 1.31 0.00 0.00 55.95 57.35 1wk1 s SER 148 Cb -0.02 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 1wk1 s SER 148 CO 0.19 0.02 0.09 -0.55 0.41 0.00 0.00 173.24 173.40 1wk1 s SER 149 N 0.26 0.13 0.00 2.44 0.15 -1.26 -5.35 113.70 110.08 1wk1 s SER 149 Ca -0.03 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1wk1 s SER 149 Cb -0.07 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1wk1 s SER 149 CO -0.00 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.62