#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wbz s THR 2 N 0.00 5.40 -0.17 0.00 -4.23 -1.26 -0.42 115.64 114.96 2wbz s THR 2 Ca 0.00 0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.82 2wbz s THR 2 Cb 0.00 -3.48 0.03 0.00 1.34 0.00 0.00 72.50 70.39 2wbz s THR 2 CO 0.00 0.57 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.15 2wbz s PHE 3 N -1.08 2.35 -0.22 3.99 0.40 -0.26 -1.53 117.98 121.63 2wbz s PHE 3 Ca 0.18 -1.40 -0.18 0.00 -0.60 0.00 0.00 56.93 54.94 2wbz s PHE 3 Cb -0.13 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.70 2wbz s PHE 3 CO 0.08 -0.71 0.52 -2.00 0.70 0.00 0.00 175.22 173.80 2wbz s GLU 4 N 1.43 4.14 -0.26 0.44 2.12 -0.16 -0.95 118.70 125.46 2wbz s GLU 4 Ca 0.03 0.38 -0.06 0.00 0.36 0.00 0.00 54.97 55.68 2wbz s GLU 4 Cb -0.14 -3.60 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 2wbz s GLU 4 CO -0.11 -0.23 0.05 0.42 -0.54 0.00 0.00 175.26 174.85 2wbz s ILE 5 N 1.92 4.01 -0.13 -3.70 1.01 0.66 -0.91 121.20 124.06 2wbz s ILE 5 Ca 0.23 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.49 2wbz s ILE 5 Cb -0.15 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2wbz s ILE 5 CO 0.09 0.26 -0.22 -0.69 0.00 0.00 0.00 174.94 174.39 2wbz s VAL 6 N 1.55 2.16 -0.54 2.92 1.01 0.41 -0.61 120.40 127.29 2wbz s VAL 6 Ca 0.05 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.89 2wbz s VAL 6 Cb -0.16 -1.85 0.09 0.00 0.00 0.00 0.00 36.38 34.46 2wbz s VAL 6 CO 0.02 0.55 0.60 0.21 0.00 0.00 0.00 175.10 176.47 2wbz s ASN 7 N 0.65 6.19 0.00 3.32 2.47 -0.11 -0.71 114.94 126.74 2wbz s ASN 7 Ca -0.11 -1.34 0.25 0.00 0.42 0.00 0.00 52.86 52.09 2wbz s ASN 7 Cb -0.16 -2.26 0.70 0.00 -1.45 0.00 0.00 41.25 38.08 2wbz s ASN 7 CO 0.02 -0.93 1.55 -1.14 -3.72 0.00 0.00 177.10 172.87 2wbz n ARG 8 N 5.91 1.94 -1.61 0.43 0.63 -0.31 0.34 116.66 123.98 2wbz n ARG 8 Ca -0.10 -1.37 -0.33 0.00 -0.92 0.00 0.00 57.85 55.12 2wbz n ARG 8 Cb 0.43 -1.47 0.07 0.00 0.45 0.00 0.00 32.46 31.94 2wbz n ARG 8 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wbz n SER 10 N -2.58 0.09 -4.60 0.00 3.41 -1.26 -4.37 113.62 104.31 2wbz n SER 10 Ca 0.11 0.51 -0.26 0.00 -0.26 0.00 0.00 58.87 58.98 2wbz n SER 10 Cb 0.51 -0.54 -0.09 0.00 -0.26 0.00 0.00 64.21 63.84 2wbz n SER 10 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wbz s TYR 11 N -3.03 2.68 0.36 7.33 -0.85 -1.26 -4.78 117.35 117.80 2wbz s TYR 11 Ca 0.10 -0.21 -0.28 0.00 -0.52 0.00 0.00 57.07 56.17 2wbz s TYR 11 Cb 0.14 -1.29 -0.10 0.00 0.38 0.00 0.00 41.96 41.09 2wbz s TYR 11 CO 0.41 0.53 1.30 0.99 -1.52 0.00 0.00 175.55 177.26 2wbz s THR 12 N -1.82 2.69 0.17 -3.49 2.01 -1.26 -4.36 115.64 109.58 2wbz s THR 12 Ca 0.26 0.67 0.07 0.00 0.31 0.00 0.00 61.69 63.00 2wbz s THR 12 Cb -0.08 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.97 2wbz s THR 12 CO 0.17 0.14 -0.15 0.68 -0.69 0.00 0.00 174.62 174.76 2wbz s VAL 13 N -1.19 1.63 -0.42 3.82 -7.23 -0.53 -4.64 120.40 111.84 2wbz s VAL 13 Ca 0.52 -1.97 -0.06 0.00 -1.81 0.00 0.00 61.98 58.66 2wbz s VAL 13 Cb -0.39 -1.83 0.10 0.00 0.56 0.00 0.00 36.38 34.82 2wbz s VAL 13 CO 0.51 -0.45 0.24 0.26 -0.31 0.00 0.00 175.10 175.35 2wbz s TRP 14 N -2.44 3.47 0.59 2.82 0.51 -0.28 0.11 118.94 123.72 2wbz s TRP 14 Ca 0.16 -2.04 -0.19 0.00 -2.12 0.00 0.00 56.10 51.92 2wbz s TRP 14 Cb -0.03 -3.17 -0.04 0.00 -0.81 0.00 0.00 33.47 29.42 2wbz s TRP 14 CO 0.05 -0.94 1.20 0.00 -0.51 0.00 0.00 176.95 176.76 2wbz s ALA 15 N 1.27 2.56 0.01 0.98 0.00 -0.07 -1.01 121.76 125.51 2wbz s ALA 15 Ca 0.05 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.02 2wbz s ALA 15 Cb -0.24 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.43 2wbz s ALA 15 CO -0.02 -1.13 -0.03 0.00 0.00 0.00 0.00 175.76 174.58 2wbz s ALA 16 N -1.60 0.22 -0.11 0.00 0.00 -0.12 -1.76 121.76 118.39 2wbz s ALA 16 Ca 0.77 -0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.31 2wbz s ALA 16 Cb -0.30 0.04 0.05 0.00 0.00 0.00 0.00 23.12 22.91 2wbz s ALA 16 CO 0.32 -0.04 0.23 0.00 0.00 0.00 0.00 175.76 176.28 2wbz s ALA 17 N -0.76 -0.46 0.08 0.00 0.00 -0.45 -1.72 121.76 118.45 2wbz s ALA 17 Ca -0.07 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 2wbz s ALA 17 Cb -0.05 -0.82 0.03 0.00 0.00 0.00 0.00 23.12 22.28 2wbz s ALA 17 CO -0.00 -0.45 0.40 0.45 0.00 0.00 0.00 175.76 176.16 2wbz s SER 18 N 1.94 -0.26 -0.15 0.00 0.15 -0.58 -1.61 113.70 113.20 2wbz s SER 18 Ca -0.03 -0.14 0.16 0.00 0.70 0.00 0.00 55.95 56.65 2wbz s SER 18 Cb -0.11 0.44 0.44 0.00 -1.71 0.00 0.00 66.02 65.08 2wbz s SER 18 CO -0.08 -0.74 1.33 2.29 1.20 0.00 0.00 173.24 177.24 2wbz n LYS 19 N 0.20 2.51 0.00 5.44 2.85 -0.58 -0.56 118.16 128.02 2wbz n LYS 19 Ca -0.17 -2.69 0.00 0.00 -1.05 0.00 0.00 58.31 54.40 2wbz n LYS 19 Cb 0.61 -1.70 0.00 0.00 -0.65 0.00 0.00 35.03 33.30 2wbz n LYS 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2wbz n GLY 20 N -0.67 2.92 0.41 2.58 0.00 -1.26 -4.63 105.19 104.53 2wbz n GLY 20 Ca 0.19 -0.79 0.04 0.00 0.00 0.00 0.00 46.02 45.45 2wbz n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wbz n ASP 21 N 1.15 2.54 -3.57 1.61 5.75 -1.26 -4.33 116.55 118.45 2wbz n ASP 21 Ca 0.00 -1.96 -0.09 0.00 -0.01 0.00 0.00 54.79 52.73 2wbz n ASP 21 Cb 0.00 -0.14 -0.04 0.00 -1.03 0.00 0.00 41.12 39.91 2wbz n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wbz s ALA 22 N -0.98 -1.93 0.65 2.12 0.00 -0.51 -4.97 121.76 116.14 2wbz s ALA 22 Ca 0.15 1.49 -0.16 0.00 0.00 0.00 0.00 51.96 53.44 2wbz s ALA 22 Cb 0.08 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 2wbz s ALA 22 CO 0.10 -0.41 1.17 0.00 0.00 0.00 0.00 175.76 176.62 2wbz s ALA 23 N -1.62 2.40 -0.20 0.00 0.00 -1.24 -1.53 121.76 119.57 2wbz s ALA 23 Ca 0.01 0.79 -0.08 0.00 0.00 0.00 0.00 51.96 52.69 2wbz s ALA 23 Cb -0.01 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2wbz s ALA 23 CO -0.02 -1.39 0.08 -0.51 0.00 0.00 0.00 175.76 173.92 2wbz s LEU 24 N -4.65 3.83 0.00 0.00 1.43 -0.63 -4.70 118.68 113.96 2wbz s LEU 24 Ca 0.72 0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 2wbz s LEU 24 Cb -0.26 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 43.98 2wbz s LEU 24 CO 0.39 0.14 0.00 -0.67 0.23 0.00 0.00 176.35 176.44 2wbz n ASP 25 N 3.76 0.00 0.03 2.29 -0.08 -1.25 -1.08 116.55 120.22 2wbz n ASP 25 Ca -0.16 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.21 2wbz n ASP 25 Cb 0.52 0.00 0.41 0.00 2.34 0.00 0.00 41.12 44.39 2wbz n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wbz n ALA 26 N 8.13 1.83 0.00 -1.67 0.00 -1.26 -4.91 120.51 122.62 2wbz n ALA 26 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2wbz n ALA 26 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2wbz n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wbz n GLY 27 N 0.36 2.51 3.51 0.00 0.00 -0.24 -4.46 105.19 106.87 2wbz n GLY 27 Ca 0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 2wbz n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wbz s GLY 28 N -1.03 -0.45 -0.27 -0.02 0.00 -1.25 -1.34 107.32 102.97 2wbz s GLY 28 Ca 0.00 1.12 -0.25 0.00 0.00 0.00 0.00 44.72 45.59 2wbz s GLY 28 CO 0.00 0.43 0.76 -1.60 0.00 0.00 0.00 173.10 172.69 2wbz s ARG 29 N -2.86 0.80 0.14 2.90 3.52 -0.72 -4.63 118.95 118.09 2wbz s ARG 29 Ca 0.04 0.93 -0.31 0.00 -0.13 0.00 0.00 55.73 56.26 2wbz s ARG 29 Cb -0.01 0.39 -0.08 0.00 -1.56 0.00 0.00 34.95 33.69 2wbz s ARG 29 CO -0.07 -0.10 1.33 -1.14 -0.81 0.00 0.00 175.30 174.51 2wbz s GLN 30 N 0.33 4.36 -0.28 5.12 0.74 -1.26 -0.89 119.66 127.78 2wbz s GLN 30 Ca 0.00 2.03 0.02 0.00 0.05 0.00 0.00 55.36 57.46 2wbz s GLN 30 Cb -0.05 -3.24 0.08 0.00 1.10 0.00 0.00 33.01 30.90 2wbz s GLN 30 CO 0.00 -0.34 -0.02 -0.51 -0.55 0.00 0.00 175.29 173.87 2wbz s LEU 31 N 0.64 3.27 0.98 3.68 1.43 0.12 -4.93 118.68 123.87 2wbz s LEU 31 Ca 0.61 -1.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.06 2wbz s LEU 31 Cb -0.36 -1.33 0.18 0.00 0.03 0.00 0.00 46.19 44.72 2wbz s LEU 31 CO 0.33 -0.29 1.08 0.20 0.23 0.00 0.00 176.35 177.91 2wbz s ASN 32 N 1.24 2.65 -0.10 2.29 0.02 -1.26 -1.46 114.94 118.32 2wbz s ASN 32 Ca -0.00 1.51 -0.35 0.00 -1.02 0.00 0.00 52.86 53.00 2wbz s ASN 32 Cb -0.19 -2.18 -0.13 0.00 0.02 0.00 0.00 41.25 38.77 2wbz s ASN 32 CO -0.09 -3.16 1.83 -0.24 0.02 0.00 0.00 177.10 175.46 2wbz n SER 33 N -4.23 3.24 0.00 -1.22 2.88 -1.26 -1.06 113.62 111.97 2wbz n SER 33 Ca 0.06 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2wbz n SER 33 Cb 0.55 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 2wbz n SER 33 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wbz n GLY 34 N 4.27 1.09 3.80 0.46 0.00 0.15 -5.04 105.19 109.92 2wbz n GLY 34 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 2wbz n GLY 34 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wbz s GLU 35 N -0.84 4.07 0.11 1.61 2.02 -0.22 -4.77 118.70 120.68 2wbz s GLU 35 Ca 0.00 1.33 0.08 0.00 0.02 0.00 0.00 54.97 56.40 2wbz s GLU 35 Cb 0.00 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.91 2wbz s GLU 35 CO 0.00 -0.19 -0.21 -1.12 0.02 0.00 0.00 175.26 173.76 2wbz s SER 36 N -1.91 2.62 -0.06 -0.19 0.01 -1.26 -0.94 113.70 111.97 2wbz s SER 36 Ca 0.62 -0.72 -0.01 0.00 1.31 0.00 0.00 55.95 57.15 2wbz s SER 36 Cb -0.16 -0.15 0.03 0.00 0.21 0.00 0.00 66.02 65.95 2wbz s SER 36 CO 0.20 0.05 0.02 0.86 0.41 0.00 0.00 173.24 174.78 2wbz s TRP 37 N -1.29 0.43 -0.25 2.43 -0.00 0.22 -4.97 118.94 115.50 2wbz s TRP 37 Ca 0.08 -0.01 -0.11 0.00 -0.00 0.00 0.00 56.10 56.07 2wbz s TRP 37 Cb -0.09 -0.65 -0.05 0.00 -0.00 0.00 0.00 33.47 32.68 2wbz s TRP 37 CO 0.05 -0.26 0.17 0.99 -0.00 0.00 0.00 176.95 177.90 2wbz s THR 38 N 1.91 5.31 0.26 5.86 2.01 -1.26 -0.25 115.64 129.48 2wbz s THR 38 Ca 0.03 0.17 0.11 0.00 0.31 0.00 0.00 61.69 62.30 2wbz s THR 38 Cb -0.12 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 68.84 2wbz s THR 38 CO -0.04 0.31 -0.10 0.27 -0.69 0.00 0.00 174.62 174.37 2wbz s ILE 39 N 1.33 3.01 -0.13 1.82 -4.36 -0.12 -4.97 121.20 117.78 2wbz s ILE 39 Ca 0.07 -2.09 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 2wbz s ILE 39 Cb -0.14 -2.58 -0.01 0.00 1.25 0.00 0.00 42.46 40.97 2wbz s ILE 39 CO 0.07 -0.35 -0.14 0.20 0.24 0.00 0.00 174.94 174.96 2wbz s ASN 40 N -3.50 3.96 -0.12 4.36 0.01 -1.26 -1.11 114.94 117.27 2wbz s ASN 40 Ca 0.30 -0.34 0.01 0.00 -0.71 0.00 0.00 52.86 52.12 2wbz s ASN 40 Cb -0.06 -1.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.99 2wbz s ASN 40 CO 0.17 0.16 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.08 2wbz s VAL 41 N 0.36 2.79 0.32 1.60 1.01 0.43 -3.95 120.40 122.96 2wbz s VAL 41 Ca -0.11 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 2wbz s VAL 41 Cb -0.16 -2.15 -0.11 0.00 0.00 0.00 0.00 36.38 33.96 2wbz s VAL 41 CO 0.06 0.53 1.55 -1.61 0.00 0.00 0.00 175.10 175.63 2wbz s GLU 42 N 0.36 4.13 0.59 2.72 0.41 -1.26 -0.86 118.70 124.79 2wbz s GLU 42 Ca -0.13 2.56 -0.19 0.00 -0.41 0.00 0.00 54.97 56.80 2wbz s GLU 42 Cb -0.16 -3.01 -0.05 0.00 -1.78 0.00 0.00 34.13 29.12 2wbz s GLU 42 CO 0.06 -0.58 0.96 -2.30 -0.49 0.00 0.00 175.26 172.91 2wbz n PRO 43 N 1.63 0.92 -0.90 0.39 -0.02 -1.26 -2.38 135.00 133.39 2wbz n PRO 43 Ca 0.06 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2wbz n PRO 43 Cb 0.38 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2wbz n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wbz n GLY 44 N 1.29 0.88 3.68 -1.23 0.00 -1.17 -5.00 105.19 103.64 2wbz n GLY 44 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2wbz n GLY 44 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wbz s THR 45 N -3.49 2.74 -0.13 2.61 2.01 -1.00 -4.68 115.64 113.71 2wbz s THR 45 Ca 0.00 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 2wbz s THR 45 Cb 0.00 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 2wbz s THR 45 CO 0.00 -0.00 -0.09 0.21 -0.69 0.00 0.00 174.62 174.05 2wbz s ASN 46 N 3.03 4.39 -0.67 3.53 2.47 -1.26 -0.17 114.94 126.26 2wbz s ASN 46 Ca 0.81 -0.21 -0.02 0.00 0.42 0.00 0.00 52.86 53.86 2wbz s ASN 46 Cb -0.44 -1.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.77 2wbz s ASN 46 CO 0.36 0.20 0.31 0.61 -3.72 0.00 0.00 177.10 174.86 2wbz n GLY 47 N 3.32 0.18 3.81 1.21 0.00 -1.10 -4.96 105.19 107.66 2wbz n GLY 47 Ca -0.18 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 2wbz n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wbz s GLY 48 N -2.92 2.36 0.02 -0.02 0.00 0.19 -4.53 107.32 102.41 2wbz s GLY 48 Ca 0.15 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.32 2wbz s GLY 48 CO 0.19 0.74 -0.04 0.54 0.00 0.00 0.00 173.10 174.53 2wbz s LYS 49 N -3.42 0.30 -0.03 2.90 1.02 0.27 -1.28 119.74 119.49 2wbz s LYS 49 Ca 0.64 -0.43 0.05 0.00 0.02 0.00 0.00 55.97 56.25 2wbz s LYS 49 Cb -0.12 -0.08 -0.01 0.00 -0.52 0.00 0.00 37.83 37.09 2wbz s LYS 49 CO 0.21 0.01 -0.19 0.42 -0.92 0.00 0.00 175.35 174.88 2wbz s ILE 50 N -0.87 1.52 0.22 2.17 1.01 -0.00 -1.53 121.20 123.71 2wbz s ILE 50 Ca -0.08 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.66 2wbz s ILE 50 Cb -0.06 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 2wbz s ILE 50 CO -0.00 0.43 0.41 -1.66 0.00 0.00 0.00 174.94 174.12 2wbz s TRP 51 N -0.23 0.39 0.02 3.97 -2.14 -0.70 -1.40 118.94 118.86 2wbz s TRP 51 Ca 0.02 -0.74 0.00 0.00 2.66 0.00 0.00 56.10 58.04 2wbz s TRP 51 Cb -0.10 0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.32 2wbz s TRP 51 CO 0.01 -0.89 0.12 0.00 -2.66 0.00 0.00 176.95 173.52 2wbz s ALA 52 N -4.00 3.71 0.06 2.67 0.00 -1.26 -0.94 121.76 122.00 2wbz s ALA 52 Ca 0.21 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.39 2wbz s ALA 52 Cb 0.01 -1.64 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 2wbz s ALA 52 CO 0.06 0.74 -0.24 1.03 0.00 0.00 0.00 175.76 177.34 2wbz s ARG 53 N -2.04 1.78 0.17 0.00 0.52 -0.18 -4.63 118.95 114.56 2wbz s ARG 53 Ca 0.27 -1.14 0.10 0.00 -0.52 0.00 0.00 55.73 54.45 2wbz s ARG 53 Cb -0.12 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.29 2wbz s ARG 53 CO 0.19 0.50 -0.22 0.95 0.02 0.00 0.00 175.30 176.74 2wbz s THR 54 N -0.90 2.12 -1.07 0.02 -4.23 -1.17 -1.13 115.64 109.29 2wbz s THR 54 Ca 0.13 -1.93 -0.20 0.00 -1.18 0.00 0.00 61.69 58.51 2wbz s THR 54 Cb -0.10 -1.97 0.01 0.00 1.34 0.00 0.00 72.50 71.78 2wbz s THR 54 CO 0.04 -0.16 0.71 -0.67 -0.54 0.00 0.00 174.62 174.00 2wbz n ASP 55 N 0.40 -4.99 -4.92 3.99 2.03 -1.26 -1.37 116.55 110.43 2wbz n ASP 55 Ca -0.14 -1.04 -0.30 0.00 0.52 0.00 0.00 54.79 53.83 2wbz n ASP 55 Cb 0.56 -2.55 -0.04 0.00 -0.72 0.00 0.00 41.12 38.37 2wbz n ASP 55 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wbz s TYR 57 N -1.66 0.97 0.04 0.00 1.51 0.05 -4.99 117.35 113.25 2wbz s TYR 57 Ca 0.38 -0.35 0.06 0.00 -1.01 0.00 0.00 57.07 56.14 2wbz s TYR 57 Cb -0.12 -0.89 -0.02 0.00 -0.11 0.00 0.00 41.96 40.82 2wbz s TYR 57 CO 0.27 -0.33 -0.17 -0.06 -1.11 0.00 0.00 175.55 174.16 2wbz s PHE 58 N 1.46 1.45 0.78 2.71 0.08 -1.26 -1.30 117.98 121.90 2wbz s PHE 58 Ca -0.02 -0.35 -0.08 0.00 0.12 0.00 0.00 56.93 56.60 2wbz s PHE 58 Cb -0.13 -0.87 0.17 0.00 -0.57 0.00 0.00 43.02 41.62 2wbz s PHE 58 CO -0.03 0.05 1.06 -0.40 -0.10 0.00 0.00 175.22 175.80 2wbz n ASP 59 N 1.93 0.66 0.27 1.36 5.68 -0.20 -4.91 116.55 121.35 2wbz n ASP 59 Ca -0.17 -1.74 0.12 0.00 -0.50 0.00 0.00 54.79 52.50 2wbz n ASP 59 Cb 0.54 -0.76 0.78 0.00 -1.14 0.00 0.00 41.12 40.55 2wbz n ASP 59 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2wbz h ASP 60 N -1.07 0.00 -0.05 -1.12 3.32 -2.02 -1.34 116.42 114.14 2wbz h ASP 60 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2wbz h ASP 60 Cb 1.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 2wbz h ASP 60 CO 0.30 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.28 2wbz n SER 61 N -4.17 0.89 0.00 6.45 3.41 -1.26 -4.92 113.62 114.01 2wbz n SER 61 Ca -0.03 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.17 2wbz n SER 61 Cb 0.10 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 2wbz n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wbz n GLY 62 N 1.05 0.55 3.42 5.00 0.00 -0.51 -4.97 105.19 109.73 2wbz n GLY 62 Ca 0.19 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 2wbz n GLY 62 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wbz s SER 63 N -2.85 3.81 0.00 1.61 0.15 -1.26 -0.52 113.70 114.63 2wbz s SER 63 Ca 0.00 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2wbz s SER 63 Cb 0.00 -0.92 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 2wbz s SER 63 CO 0.00 0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.35 2wbz n GLY 64 N 2.60 -0.76 3.30 9.45 0.00 0.16 -1.04 105.19 118.91 2wbz n GLY 64 Ca -0.17 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2wbz n GLY 64 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wbz s ILE 65 N -2.02 0.06 0.02 -0.61 2.07 -0.42 -4.34 121.20 115.96 2wbz s ILE 65 Ca 0.00 -0.53 0.06 0.00 -1.41 0.00 0.00 60.65 58.77 2wbz s ILE 65 Cb 0.00 -0.95 -0.02 0.00 0.13 0.00 0.00 42.46 41.62 2wbz s ILE 65 CO 0.00 -0.29 -0.19 0.00 -1.91 0.00 0.00 174.94 172.55 2wbz h LYS 67 N 5.17 0.21 -4.89 0.00 1.57 -1.11 -3.40 116.57 114.13 2wbz h LYS 67 Ca -0.40 -0.17 -0.40 0.00 -1.87 0.00 0.00 60.65 57.81 2wbz h LYS 67 Cb 1.16 0.04 -0.27 0.00 0.08 0.00 0.00 32.23 33.23 2wbz h LYS 67 CO 0.45 0.83 -0.78 0.95 -0.57 0.00 0.00 179.45 180.33 2wbz s THR 68 N -3.55 0.82 -0.27 -0.16 -4.23 -1.21 -4.66 115.64 102.37 2wbz s THR 68 Ca -0.03 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 2wbz s THR 68 Cb 0.11 -0.71 0.00 0.00 1.34 0.00 0.00 72.50 73.24 2wbz s THR 68 CO 0.81 0.14 0.00 0.61 -0.54 0.00 0.00 174.62 175.63 2wbz n GLY 69 N 2.57 0.54 3.69 3.99 0.00 0.17 -3.02 105.19 113.12 2wbz n GLY 69 Ca -0.15 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 2wbz n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wbz n ASP 70 N 0.03 3.15 -4.06 1.61 -0.08 -1.26 -3.80 116.55 112.15 2wbz n ASP 70 Ca -0.03 1.12 -0.34 0.00 -1.51 0.00 0.00 54.79 54.04 2wbz n ASP 70 Cb 0.20 -1.47 -0.08 0.00 2.34 0.00 0.00 41.12 42.11 2wbz n ASP 70 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wbz n GLY 72 N 2.29 -0.50 2.31 0.00 0.00 -1.26 -2.47 105.19 105.55 2wbz n GLY 72 Ca 0.20 0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 2wbz n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbz n GLY 73 N -1.09 0.57 3.85 -0.02 0.00 -1.26 -4.95 105.19 102.30 2wbz n GLY 73 Ca -0.17 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 2wbz n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wbz s LEU 74 N -0.68 4.23 0.05 0.99 1.43 -1.03 0.40 118.68 124.08 2wbz s LEU 74 Ca 0.00 0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 53.24 2wbz s LEU 74 Cb 0.00 -2.24 -0.13 0.00 0.03 0.00 0.00 46.19 43.85 2wbz s LEU 74 CO 0.00 0.34 1.51 0.25 0.23 0.00 0.00 176.35 178.68 2wbz h LEU 75 N 4.53 0.19 -8.07 1.79 5.85 -1.15 -3.39 115.31 115.06 2wbz h LEU 75 Ca -0.52 -0.28 -0.69 0.00 0.84 0.00 0.00 57.88 57.24 2wbz h LEU 75 Cb 1.21 -0.05 -0.18 0.00 0.37 0.00 0.00 40.66 42.01 2wbz h LEU 75 CO 0.61 0.42 0.57 -0.13 -0.34 0.00 0.00 178.44 179.57 2wbz s ARG 76 N -5.10 3.38 0.27 1.25 0.52 -1.26 -3.85 118.95 114.16 2wbz s ARG 76 Ca -0.14 -1.51 -0.30 0.00 -0.52 0.00 0.00 55.73 53.26 2wbz s ARG 76 Cb 0.05 -4.59 -0.11 0.00 0.52 0.00 0.00 34.95 30.83 2wbz s ARG 76 CO 0.70 -1.70 1.49 0.00 0.02 0.00 0.00 175.30 175.80 2wbz n LYS 78 N 2.13 3.37 -4.35 0.00 5.02 -1.26 -3.99 118.16 119.09 2wbz n LYS 78 Ca 0.07 -0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.14 2wbz n LYS 78 Cb 0.39 -0.92 -0.09 0.00 -0.02 0.00 0.00 35.03 34.39 2wbz n LYS 78 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2wbz s ARG 79 N -1.89 1.67 0.74 1.97 1.70 -1.26 -1.42 118.95 120.45 2wbz s ARG 79 Ca 0.01 -1.96 -0.11 0.00 -0.47 0.00 0.00 55.73 53.20 2wbz s ARG 79 Cb 0.05 -0.07 0.04 0.00 -0.57 0.00 0.00 34.95 34.40 2wbz s ARG 79 CO 0.28 -0.50 1.08 -0.06 -1.08 0.00 0.00 175.30 175.02 2wbz s PHE 80 N -3.53 2.82 0.33 5.89 0.08 -1.26 -4.84 117.98 117.46 2wbz s PHE 80 Ca 0.35 1.47 -0.01 0.00 0.12 0.00 0.00 56.93 58.86 2wbz s PHE 80 Cb 0.04 -2.98 -0.04 0.00 -0.57 0.00 0.00 43.02 39.48 2wbz s PHE 80 CO 0.19 -1.56 0.56 0.20 -0.10 0.00 0.00 175.22 174.51 2wbz s GLY 81 N -3.59 1.52 -0.02 4.36 0.00 -1.26 -4.61 107.32 103.72 2wbz s GLY 81 Ca 0.60 -0.78 -0.30 0.00 0.00 0.00 0.00 44.72 44.24 2wbz s GLY 81 CO 0.56 -0.70 1.42 -1.60 0.00 0.00 0.00 173.10 172.78 2wbz s ARG 82 N -4.07 4.26 0.72 2.90 3.52 0.43 -4.85 118.95 121.86 2wbz s ARG 82 Ca 0.41 1.97 -0.16 0.00 -0.13 0.00 0.00 55.73 57.82 2wbz s ARG 82 Cb -0.10 -3.64 0.01 0.00 -1.56 0.00 0.00 34.95 29.66 2wbz s ARG 82 CO 0.35 -0.62 1.08 -2.30 -0.81 0.00 0.00 175.30 172.99 2wbz n PRO 83 N 5.72 0.59 -3.08 5.12 -0.02 -1.26 -0.65 135.00 141.41 2wbz n PRO 83 Ca 0.14 0.26 -0.39 0.00 -2.02 0.00 0.00 63.50 61.49 2wbz n PRO 83 Cb 0.44 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 2wbz n PRO 83 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2wbz s PRO 84 N -3.46 4.43 -0.13 0.52 0.04 -1.26 -4.67 135.00 130.47 2wbz s PRO 84 Ca 0.75 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.73 2wbz s PRO 84 Cb -0.35 -3.30 0.07 0.00 0.04 0.00 0.00 34.50 30.96 2wbz s PRO 84 CO 0.48 0.47 0.23 0.95 0.04 0.00 0.00 177.00 179.17 2wbz s THR 85 N -0.68 -0.35 0.21 1.26 -4.23 -0.45 -4.00 115.64 107.39 2wbz s THR 85 Ca 0.34 0.22 -0.30 0.00 -1.18 0.00 0.00 61.69 60.77 2wbz s THR 85 Cb -0.21 -0.45 -0.09 0.00 1.34 0.00 0.00 72.50 73.09 2wbz s THR 85 CO 0.22 0.06 1.37 -0.89 -0.54 0.00 0.00 174.62 174.85 2wbz s THR 86 N 2.37 3.00 -0.12 3.99 2.01 -1.20 -4.32 115.64 121.36 2wbz s THR 86 Ca 0.03 0.81 0.03 0.00 0.31 0.00 0.00 61.69 62.87 2wbz s THR 86 Cb -0.13 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.86 2wbz s THR 86 CO -0.08 0.12 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.99 2wbz s LEU 87 N -0.03 2.18 -0.31 4.42 1.43 -0.63 -4.50 118.68 121.24 2wbz s LEU 87 Ca 0.59 -0.55 -0.18 0.00 -1.03 0.00 0.00 54.13 52.96 2wbz s LEU 87 Cb -0.39 -1.45 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 2wbz s LEU 87 CO 0.39 0.12 0.51 0.00 0.23 0.00 0.00 176.35 177.60 2wbz s ALA 88 N 0.57 3.52 0.02 4.21 0.00 -0.49 -0.77 121.76 128.81 2wbz s ALA 88 Ca -0.13 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.06 2wbz s ALA 88 Cb -0.17 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 2wbz s ALA 88 CO 0.04 -1.03 -0.26 -1.21 0.00 0.00 0.00 175.76 173.30 2wbz s GLU 89 N 2.36 1.92 -0.08 0.00 2.02 0.03 -0.82 118.70 124.11 2wbz s GLU 89 Ca 0.19 -1.03 -0.23 0.00 0.02 0.00 0.00 54.97 53.92 2wbz s GLU 89 Cb -0.15 -1.99 0.05 0.00 0.10 0.00 0.00 34.13 32.14 2wbz s GLU 89 CO 0.12 0.53 0.54 -0.59 0.02 0.00 0.00 175.26 175.88 2wbz s PHE 90 N -0.72 -0.51 -0.05 1.61 -0.71 -0.41 -1.27 117.98 115.93 2wbz s PHE 90 Ca 0.11 0.98 0.01 0.00 -1.04 0.00 0.00 56.93 56.99 2wbz s PHE 90 Cb -0.10 0.27 0.02 0.00 -1.21 0.00 0.00 43.02 42.00 2wbz s PHE 90 CO 0.01 -0.46 -0.06 -1.12 -1.34 0.00 0.00 175.22 172.24 2wbz s SER 91 N -0.84 1.10 0.01 1.98 0.01 -0.50 -0.64 113.70 114.82 2wbz s SER 91 Ca -0.09 -0.16 0.04 0.00 1.31 0.00 0.00 55.95 57.05 2wbz s SER 91 Cb -0.03 -0.52 -0.03 0.00 0.21 0.00 0.00 66.02 65.65 2wbz s SER 91 CO 0.06 -0.03 -0.10 -0.76 0.41 0.00 0.00 173.24 172.82 2wbz s LEU 92 N 0.84 3.02 -1.19 2.44 1.43 0.76 -0.73 118.68 125.25 2wbz s LEU 92 Ca -0.12 -0.21 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 2wbz s LEU 92 Cb -0.15 -1.74 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 2wbz s LEU 92 CO 0.01 0.28 0.74 0.59 0.23 0.00 0.00 176.35 178.20 2wbz n ASN 93 N 1.61 -4.18 -4.26 2.29 3.02 -0.97 -3.06 115.26 109.71 2wbz n ASN 93 Ca -0.16 -0.97 -0.42 0.00 -0.03 0.00 0.00 54.58 53.00 2wbz n ASN 93 Cb 0.52 -3.55 -0.08 0.00 -0.61 0.00 0.00 39.78 36.07 2wbz n ASN 93 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2wbz s GLN 94 N -5.95 2.65 -1.50 3.52 -1.52 0.61 -4.51 119.66 112.96 2wbz s GLN 94 Ca 0.35 -1.65 -0.07 0.00 -1.95 0.00 0.00 55.36 52.04 2wbz s GLN 94 Cb -0.12 -3.99 0.05 0.00 -0.22 0.00 0.00 33.01 28.74 2wbz s GLN 94 CO 0.85 -1.16 0.59 0.66 -0.25 0.00 0.00 175.29 175.99 2wbz n TYR 95 N 5.00 -1.76 -0.73 0.91 4.02 -1.26 -2.21 117.16 121.14 2wbz n TYR 95 Ca -0.10 0.78 0.00 0.00 -0.01 0.00 0.00 57.90 58.57 2wbz n TYR 95 Cb 0.41 -3.57 0.00 0.00 -0.02 0.00 0.00 39.34 36.16 2wbz n TYR 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wbz n GLY 96 N -1.77 0.83 3.32 2.72 0.00 -1.26 -5.04 105.19 103.98 2wbz n GLY 96 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 2wbz n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbz s LYS 97 N -0.27 1.25 0.11 1.61 -0.14 -0.94 -1.76 119.74 119.60 2wbz s LYS 97 Ca 0.00 -1.50 0.05 0.00 -1.36 0.00 0.00 55.97 53.15 2wbz s LYS 97 Cb 0.00 -1.05 -0.04 0.00 -1.68 0.00 0.00 37.83 35.06 2wbz s LYS 97 CO 0.00 0.18 0.04 -0.51 -0.76 0.00 0.00 175.35 174.30 2wbz s ASP 98 N -3.11 5.18 -0.06 2.83 1.01 -0.12 -0.28 116.67 122.11 2wbz s ASP 98 Ca 0.19 -0.17 0.02 0.00 0.71 0.00 0.00 52.55 53.30 2wbz s ASP 98 Cb -0.01 -1.27 0.02 0.00 1.01 0.00 0.00 42.92 42.66 2wbz s ASP 98 CO 0.05 0.14 -0.09 -0.31 0.21 0.00 0.00 175.17 175.18 2wbz s TYR 99 N -1.46 1.21 0.09 4.23 2.02 0.09 -0.60 117.35 122.91 2wbz s TYR 99 Ca 0.28 -0.44 0.06 0.00 -0.37 0.00 0.00 57.07 56.60 2wbz s TYR 99 Cb -0.11 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.47 2wbz s TYR 99 CO 0.20 -0.27 -0.16 0.96 -1.57 0.00 0.00 175.55 174.72 2wbz s ILE 100 N 0.86 1.27 0.24 2.71 -4.36 -0.36 -1.41 121.20 120.15 2wbz s ILE 100 Ca -0.11 -1.42 -0.20 0.00 -0.26 0.00 0.00 60.65 58.65 2wbz s ILE 100 Cb -0.15 -1.25 0.03 0.00 1.25 0.00 0.00 42.46 42.34 2wbz s ILE 100 CO 0.01 -0.22 0.64 1.51 0.24 0.00 0.00 174.94 177.12 2wbz s ASP 101 N -1.89 -0.29 -0.02 4.36 1.47 -0.39 -0.55 116.67 119.36 2wbz s ASP 101 Ca 0.02 -0.53 0.04 0.00 1.18 0.00 0.00 52.55 53.25 2wbz s ASP 101 Cb -0.09 0.67 -0.03 0.00 -0.34 0.00 0.00 42.92 43.13 2wbz s ASP 101 CO 0.03 -1.22 -0.13 -0.63 0.68 0.00 0.00 175.17 173.90 2wbz s ILE 102 N -3.90 3.17 -0.02 2.11 1.01 -1.26 -0.79 121.20 121.52 2wbz s ILE 102 Ca 0.11 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 59.96 2wbz s ILE 102 Cb -0.04 -2.30 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 2wbz s ILE 102 CO 0.03 0.48 -0.13 -0.55 0.00 0.00 0.00 174.94 174.77 2wbz s SER 103 N -1.07 1.63 -0.04 3.58 0.15 0.05 -1.51 113.70 116.49 2wbz s SER 103 Ca 0.14 -0.26 0.16 0.00 0.70 0.00 0.00 55.95 56.69 2wbz s SER 103 Cb -0.11 -0.32 0.52 0.00 -1.71 0.00 0.00 66.02 64.40 2wbz s SER 103 CO 0.03 0.14 1.44 0.59 1.20 0.00 0.00 173.24 176.64 2wbz n ASN 104 N 3.00 3.74 0.28 5.45 5.03 0.31 -1.60 115.26 131.47 2wbz n ASN 104 Ca -0.16 -2.21 0.13 0.00 0.87 0.00 0.00 54.58 53.21 2wbz n ASN 104 Cb 0.54 -0.42 0.81 0.00 -1.02 0.00 0.00 39.78 39.70 2wbz n ASN 104 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 2wbz h ILE 105 N 3.10 0.68 -0.49 2.41 2.04 -1.81 -0.50 117.51 122.94 2wbz h ILE 105 Ca 0.00 -0.08 -0.24 0.00 1.00 0.00 0.00 64.86 65.54 2wbz h ILE 105 Cb 1.04 1.05 -0.14 0.00 -0.74 0.00 0.00 36.82 38.03 2wbz h ILE 105 CO 0.08 0.02 0.09 0.29 0.00 0.00 0.00 178.15 178.62 2wbz n LYS 106 N -4.02 2.06 0.00 2.37 4.76 -1.26 -4.74 118.16 117.33 2wbz n LYS 106 Ca -0.03 -3.13 0.00 0.00 -2.87 0.00 0.00 58.31 52.28 2wbz n LYS 106 Cb 0.11 -1.91 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 2wbz n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wbz n GLY 107 N -1.06 -2.14 2.84 0.72 0.00 -0.20 -1.35 105.19 104.01 2wbz n GLY 107 Ca 0.38 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 2wbz n GLY 107 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wbz s PHE 108 N -0.18 0.18 0.00 1.61 2.19 -0.36 -3.25 117.98 118.17 2wbz s PHE 108 Ca 0.00 0.02 0.00 0.00 0.33 0.00 0.00 56.93 57.28 2wbz s PHE 108 Cb 0.00 -0.25 0.00 0.00 -1.31 0.00 0.00 43.02 41.46 2wbz s PHE 108 CO 0.00 -0.07 0.00 0.27 1.83 0.00 0.00 175.22 177.25 2wbz n ASN 109 N 3.71 1.96 -3.98 6.13 6.94 -1.26 -0.90 115.26 127.86 2wbz n ASN 109 Ca -0.22 0.00 -0.19 0.00 -0.02 0.00 0.00 54.58 54.16 2wbz n ASN 109 Cb 0.54 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.81 2wbz n ASN 109 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2wbz s VAL 110 N -1.94 0.62 0.59 3.53 1.01 -1.26 -4.85 120.40 118.11 2wbz s VAL 110 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 2wbz s VAL 110 Cb 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2wbz s VAL 110 CO 0.00 0.20 1.18 -2.16 0.00 0.00 0.00 175.10 174.31 2wbz s PRO 111 N 0.12 3.04 -0.04 2.72 0.04 -1.26 -4.64 135.00 134.97 2wbz s PRO 111 Ca -0.01 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 62.56 2wbz s PRO 111 Cb -0.06 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.56 2wbz s PRO 111 CO -0.00 -1.13 0.43 0.00 0.04 0.00 0.00 177.00 176.34 2wbz s MET 112 N -3.39 0.75 -0.05 4.56 0.23 -0.30 -0.88 119.30 120.21 2wbz s MET 112 Ca 0.75 0.04 0.04 0.00 -1.03 0.00 0.00 55.69 55.49 2wbz s MET 112 Cb -0.28 0.34 -0.02 0.00 -1.53 0.00 0.00 34.83 33.34 2wbz s MET 112 CO 0.32 -0.21 -0.16 1.21 -2.03 0.00 0.00 175.02 174.15 2wbz s ASN 113 N -1.08 3.84 -0.26 -1.18 3.84 0.01 -1.09 114.94 119.01 2wbz s ASN 113 Ca -0.11 -0.26 -0.00 0.00 0.21 0.00 0.00 52.86 52.69 2wbz s ASN 113 Cb -0.04 -0.85 0.08 0.00 -0.55 0.00 0.00 41.25 39.89 2wbz s ASN 113 CO 0.05 0.32 0.03 0.12 -2.79 0.00 0.00 177.10 174.83 2wbz s PHE 114 N -0.57 1.96 0.04 0.43 5.36 -0.00 -0.61 117.98 124.58 2wbz s PHE 114 Ca 0.08 -1.65 0.04 0.00 -0.96 0.00 0.00 56.93 54.44 2wbz s PHE 114 Cb -0.11 -1.62 -0.02 0.00 -0.34 0.00 0.00 43.02 40.93 2wbz s PHE 114 CO 0.01 -0.79 -0.12 -1.12 -1.46 0.00 0.00 175.22 171.74 2wbz s SER 115 N 1.54 1.46 0.53 6.13 0.01 -0.37 -1.04 113.70 121.96 2wbz s SER 115 Ca 0.02 -0.45 -0.21 0.00 1.31 0.00 0.00 55.95 56.62 2wbz s SER 115 Cb -0.18 -0.08 -0.06 0.00 0.21 0.00 0.00 66.02 65.92 2wbz s SER 115 CO -0.13 -0.01 1.19 -2.16 0.41 0.00 0.00 173.24 172.54 2wbz s PRO 116 N -1.17 3.37 0.00 12.44 0.04 -1.26 -0.37 135.00 148.04 2wbz s PRO 116 Ca -0.00 1.80 0.16 0.00 0.04 0.00 0.00 61.00 63.00 2wbz s PRO 116 Cb -0.08 -2.16 0.31 0.00 0.04 0.00 0.00 34.50 32.61 2wbz s PRO 116 CO 0.01 -0.88 1.22 0.25 0.04 0.00 0.00 177.00 177.64 2wbz n THR 117 N -1.05 0.57 -4.50 1.26 -2.24 0.38 -4.75 114.28 103.95 2wbz n THR 117 Ca 0.10 -0.79 -0.24 0.00 -2.27 0.00 0.00 64.05 60.86 2wbz n THR 117 Cb 0.49 0.86 -0.11 0.00 -2.10 0.00 0.00 70.33 69.47 2wbz n THR 117 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wbz s THR 118 N -1.15 1.54 0.72 4.28 -4.23 -1.25 -4.95 115.64 110.60 2wbz s THR 118 Ca 0.27 -2.03 -0.11 0.00 -1.18 0.00 0.00 61.69 58.65 2wbz s THR 118 Cb 0.16 -2.80 0.03 0.00 1.34 0.00 0.00 72.50 71.23 2wbz s THR 118 CO 0.22 -0.05 1.09 0.00 -0.54 0.00 0.00 174.62 175.34 2wbz s ARG 119 N -3.80 2.66 0.00 3.99 3.03 -1.26 -4.63 118.95 118.93 2wbz s ARG 119 Ca 0.35 0.33 0.00 0.00 2.03 0.00 0.00 55.73 58.43 2wbz s ARG 119 Cb 0.08 -2.03 0.00 0.00 -1.03 0.00 0.00 34.95 31.97 2wbz s ARG 119 CO 0.16 -1.13 0.00 0.41 -1.13 0.00 0.00 175.30 173.61 2wbz n GLY 120 N -3.03 0.73 3.79 3.88 0.00 -1.26 -4.65 105.19 104.65 2wbz n GLY 120 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 2wbz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wbz s ARG 122 N -3.46 2.89 0.60 0.00 1.70 -1.26 -4.81 118.95 114.61 2wbz s ARG 122 Ca 0.12 -1.19 0.02 0.00 -0.47 0.00 0.00 55.73 54.21 2wbz s ARG 122 Cb -0.03 -2.69 0.07 0.00 -0.57 0.00 0.00 34.95 31.73 2wbz s ARG 122 CO 0.04 -0.06 0.83 0.20 -1.08 0.00 0.00 175.30 175.23 2wbz s GLY 123 N -4.19 1.80 0.13 3.88 0.00 -1.26 -4.55 107.32 103.14 2wbz s GLY 123 Ca 0.48 -1.57 0.07 0.00 0.00 0.00 0.00 44.72 43.70 2wbz s GLY 123 CO 0.31 -1.18 -0.17 -1.34 0.00 0.00 0.00 173.10 170.71 2wbz s VAL 124 N -2.85 1.59 -0.12 1.40 -7.23 -0.20 -4.98 120.40 108.01 2wbz s VAL 124 Ca 0.61 -1.73 -0.11 0.00 -1.81 0.00 0.00 61.98 58.94 2wbz s VAL 124 Cb -0.08 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.26 2wbz s VAL 124 CO 0.40 -0.28 0.31 -0.60 -0.31 0.00 0.00 175.10 174.62 2wbz s ARG 125 N -2.48 0.37 -0.33 4.82 3.52 -1.26 -0.82 118.95 122.76 2wbz s ARG 125 Ca 0.10 0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 56.14 2wbz s ARG 125 Cb -0.07 0.17 0.11 0.00 -1.56 0.00 0.00 34.95 33.60 2wbz s ARG 125 CO 0.05 -0.05 0.12 0.00 -0.81 0.00 0.00 175.30 174.61 2wbz n ALA 127 N 4.67 1.68 -1.24 0.00 0.00 -1.26 -1.15 120.51 123.21 2wbz n ALA 127 Ca -0.00 -0.75 -0.31 0.00 0.00 0.00 0.00 53.44 52.38 2wbz n ALA 127 Cb 0.41 0.00 0.10 0.00 0.00 0.00 0.00 19.45 19.96 2wbz n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wbz s ALA 128 N -0.55 2.05 -1.37 0.00 0.00 -1.26 -4.90 121.76 115.74 2wbz s ALA 128 Ca 0.00 0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.02 2wbz s ALA 128 Cb 0.00 -3.25 0.11 0.00 0.00 0.00 0.00 23.12 19.97 2wbz s ALA 128 CO 0.00 -1.94 2.04 -3.47 0.00 0.00 0.00 175.76 172.39 2wbz n ASP 129 N -3.63 4.51 -0.07 0.00 2.03 -1.26 -4.71 116.55 113.42 2wbz n ASP 129 Ca 0.09 -2.98 -0.04 0.00 0.52 0.00 0.00 54.79 52.38 2wbz n ASP 129 Cb 0.54 -1.57 0.17 0.00 -0.72 0.00 0.00 41.12 39.54 2wbz n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2wbz h ILE 130 N 3.90 1.24 -0.33 5.18 2.04 -1.97 -1.80 117.51 125.79 2wbz h ILE 130 Ca 0.48 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 2wbz h ILE 130 Cb 0.64 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2wbz h ILE 130 CO 1.74 0.36 0.02 0.58 0.00 0.00 0.00 178.15 180.85 2wbz h VAL 131 N 0.65 1.25 -0.47 1.67 2.07 -1.89 -0.49 116.25 119.04 2wbz h VAL 131 Ca 0.12 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 2wbz h VAL 131 Cb 0.51 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2wbz h VAL 131 CO 0.03 0.30 0.16 1.23 0.02 0.00 0.00 177.57 179.31 2wbz h GLY 132 N 0.38 0.74 -0.83 2.17 0.00 -1.90 -2.86 103.07 100.76 2wbz h GLY 132 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2wbz h GLY 132 CO 0.01 0.35 -0.14 -1.06 0.00 0.00 0.00 176.54 175.71 2wbz n GLN 133 N -4.34 1.61 -1.64 4.80 1.13 -0.70 -5.00 117.38 113.25 2wbz n GLN 133 Ca 0.03 -1.15 -0.48 0.00 -1.94 0.00 0.00 57.00 53.47 2wbz n GLN 133 Cb 0.17 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 29.00 2wbz n GLN 133 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wbz n PRO 135 N 2.64 1.84 -0.26 0.00 -0.02 -1.26 -4.82 135.00 133.12 2wbz n PRO 135 Ca 0.16 0.65 0.07 0.00 -2.02 0.00 0.00 63.50 62.36 2wbz n PRO 135 Cb 0.26 -2.35 0.20 0.00 -0.02 0.00 0.00 33.50 31.60 2wbz n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wbz h ALA 136 N 1.97 1.02 0.00 3.55 0.00 -1.98 -0.77 119.26 123.06 2wbz h ALA 136 Ca -0.48 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wbz h ALA 136 Cb 1.30 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2wbz h ALA 136 CO 0.59 -0.36 0.00 0.87 0.00 0.00 0.00 179.25 180.36 2wbz h LYS 137 N 0.26 0.00 -0.00 0.00 1.57 -2.02 -2.76 116.57 113.62 2wbz h LYS 137 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2wbz h LYS 137 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2wbz h LYS 137 CO -0.54 0.00 -0.69 1.28 -0.57 0.00 0.00 179.45 178.93 2wbz n LEU 138 N -2.64 0.83 -4.72 2.94 4.77 -0.31 -4.94 117.00 112.93 2wbz n LEU 138 Ca 0.02 -0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.31 2wbz n LEU 138 Cb 0.30 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2wbz n LEU 138 CO 0.25 0.20 1.29 -0.54 -1.33 0.00 0.00 177.39 177.26 2wbz s LYS 139 N -2.94 4.17 -0.16 3.23 1.02 -1.05 -0.39 119.74 123.63 2wbz s LYS 139 Ca 0.11 2.49 -0.19 0.00 0.02 0.00 0.00 55.97 58.40 2wbz s LYS 139 Cb 0.17 -3.11 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 2wbz s LYS 139 CO 0.75 -0.67 0.51 0.00 -0.92 0.00 0.00 175.35 175.02 2wbz s ALA 140 N 1.08 3.51 0.45 5.17 0.00 -0.66 -4.84 121.76 126.47 2wbz s ALA 140 Ca 0.72 -0.29 0.25 0.00 0.00 0.00 0.00 51.96 52.63 2wbz s ALA 140 Cb -0.47 -2.75 1.40 0.00 0.00 0.00 0.00 23.12 21.30 2wbz s ALA 140 CO 0.33 -0.25 2.08 -1.35 0.00 0.00 0.00 175.76 176.57 2wbz h PRO 141 N 7.13 0.00 0.00 0.00 0.11 -1.93 0.14 132.00 137.45 2wbz h PRO 141 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2wbz h PRO 141 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2wbz h PRO 141 CO 0.75 0.12 0.00 0.41 -0.21 0.00 0.00 178.00 179.06 2wbz n GLY 142 N -0.86 -1.22 0.00 -0.55 0.00 -1.26 -4.99 105.19 96.31 2wbz n GLY 142 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2wbz n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbz n GLY 143 N 1.10 3.28 0.41 -0.02 0.00 0.04 -4.61 105.19 105.38 2wbz n GLY 143 Ca 0.13 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2wbz n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wbz n GLY 144 N 0.07 -3.38 3.00 -0.02 0.00 -1.26 -4.58 105.19 99.01 2wbz n GLY 144 Ca 0.00 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.75 2wbz n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wbz s ASN 146 N 1.22 5.58 0.71 0.00 0.01 0.47 -1.22 114.94 121.71 2wbz s ASN 146 Ca -0.05 2.39 -0.12 0.00 -0.71 0.00 0.00 52.86 54.38 2wbz s ASN 146 Cb -0.19 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 38.88 2wbz s ASN 146 CO -0.06 -1.33 1.08 1.51 -1.51 0.00 0.00 177.10 176.79 2wbz s ASP 147 N -1.44 5.08 0.42 -1.22 -4.77 -1.26 -4.82 116.67 108.66 2wbz s ASP 147 Ca 0.72 1.76 0.20 0.00 -3.30 0.00 0.00 52.55 51.92 2wbz s ASP 147 Cb -0.31 -2.52 0.93 0.00 -1.09 0.00 0.00 42.92 39.94 2wbz s ASP 147 CO 0.35 -1.65 1.86 0.00 0.70 0.00 0.00 175.17 176.44 2wbz h ALA 148 N -0.64 1.19 -0.13 2.11 0.00 -1.91 -2.70 119.26 117.18 2wbz h ALA 148 Ca -0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 2wbz h ALA 148 Cb 1.22 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2wbz h ALA 148 CO 0.55 0.36 0.02 0.00 0.00 0.00 0.00 179.25 180.18 2wbz h THR 150 N -0.01 0.82 -0.04 0.00 2.02 -1.86 0.38 112.91 114.22 2wbz h THR 150 Ca 0.04 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 2wbz h THR 150 Cb 0.29 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2wbz h THR 150 CO 0.00 0.11 -0.10 0.58 0.37 0.00 0.00 175.52 176.49 2wbz h VAL 151 N 0.61 1.43 0.00 3.16 2.07 -1.29 -3.40 116.25 118.84 2wbz h VAL 151 Ca 0.37 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.46 2wbz h VAL 151 Cb 0.42 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2wbz h VAL 151 CO -0.29 0.39 -1.43 0.49 0.02 0.00 0.00 177.57 176.75 2wbz n PHE 152 N -4.68 0.00 -3.77 1.57 3.72 0.05 -5.03 117.46 109.32 2wbz n PHE 152 Ca -0.08 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.08 2wbz n PHE 152 Cb 0.35 -0.25 0.03 0.00 -0.94 0.00 0.00 39.48 38.67 2wbz n PHE 152 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2wbz n GLN 153 N -1.84 -5.07 -4.15 -1.08 1.13 0.11 -4.99 117.38 101.49 2wbz n GLN 153 Ca -0.02 0.61 -0.24 0.00 -1.94 0.00 0.00 57.00 55.41 2wbz n GLN 153 Cb 0.31 -5.25 -0.06 0.00 0.11 0.00 0.00 30.24 25.36 2wbz n GLN 153 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2wbz s THR 154 N -3.57 4.19 0.40 5.09 -4.23 -1.26 -5.02 115.64 111.24 2wbz s THR 154 Ca 0.20 -1.39 0.08 0.00 -1.18 0.00 0.00 61.69 59.40 2wbz s THR 154 Cb -0.10 -3.20 0.29 0.00 1.34 0.00 0.00 72.50 70.83 2wbz s THR 154 CO 0.82 -0.24 2.01 0.28 -0.54 0.00 0.00 174.62 176.95 2wbz h SER 155 N 2.03 0.53 -0.12 3.99 0.02 -1.96 -1.00 113.55 117.04 2wbz h SER 155 Ca -0.47 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.38 2wbz h SER 155 Cb 1.22 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2wbz h SER 155 CO 0.61 0.36 -0.27 -0.08 -1.14 0.00 0.00 176.83 176.30 2wbz h GLU 156 N 0.61 0.40 -0.02 3.45 4.57 -1.95 0.65 114.58 122.28 2wbz h GLU 156 Ca 0.23 -0.27 -0.13 0.00 -1.18 0.00 0.00 59.36 58.01 2wbz h GLU 156 Cb 0.16 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 2wbz h GLU 156 CO -0.06 0.87 -0.59 1.88 -1.18 0.00 0.00 179.01 179.93 2wbz h TYR 157 N -0.02 0.11 0.00 0.92 0.05 -1.89 -3.26 116.97 112.88 2wbz h TYR 157 Ca -0.00 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2wbz h TYR 157 Cb 0.87 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.59 2wbz h TYR 157 CO 0.11 0.65 -0.73 0.00 -1.05 0.00 0.00 178.16 177.14 2wbz n THR 160 N -4.31 0.67 0.93 0.00 -2.24 -1.12 -1.86 114.28 106.35 2wbz n THR 160 Ca -0.11 -0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.79 2wbz n THR 160 Cb 0.61 -0.85 0.24 0.00 -2.10 0.00 0.00 70.33 68.23 2wbz n THR 160 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2wbz n THR 161 N -2.11 0.05 -0.99 4.28 -2.24 -1.26 -4.92 114.28 107.09 2wbz n THR 161 Ca 0.04 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wbz n THR 161 Cb 0.32 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2wbz n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wbz n GLY 162 N 1.48 0.80 2.93 3.38 0.00 -0.77 -4.97 105.19 108.04 2wbz n GLY 162 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 2wbz n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wbz s LYS 163 N -0.06 1.38 0.08 1.61 3.01 -1.26 -5.09 119.74 119.41 2wbz s LYS 163 Ca 0.00 -1.40 -0.12 0.00 -1.01 0.00 0.00 55.97 53.44 2wbz s LYS 163 Cb 0.00 -2.71 0.01 0.00 -1.01 0.00 0.00 37.83 34.12 2wbz s LYS 163 CO 0.00 -0.83 0.27 0.00 0.51 0.00 0.00 175.35 175.30 2wbz s GLY 165 N -2.52 2.76 0.91 0.00 0.00 -1.26 -4.91 107.32 102.29 2wbz s GLY 165 Ca 0.00 -0.94 -0.10 0.00 0.00 0.00 0.00 44.72 43.68 2wbz s GLY 165 CO -0.08 -2.10 1.13 -1.55 0.00 0.00 0.00 173.10 170.49 2wbz n PRO 166 N -1.35 -0.40 -4.28 2.90 -0.04 -1.26 -4.97 135.00 125.60 2wbz n PRO 166 Ca -0.12 -0.05 -0.15 0.00 -0.04 0.00 0.00 63.50 63.14 2wbz n PRO 166 Cb 0.66 -2.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.66 2wbz n PRO 166 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2wbz s THR 167 N -2.58 0.36 0.27 0.52 -4.23 -1.26 -5.00 115.64 103.72 2wbz s THR 167 Ca 0.67 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.18 2wbz s THR 167 Cb -0.24 -2.58 0.25 0.00 1.34 0.00 0.00 72.50 71.27 2wbz s THR 167 CO 0.58 0.00 1.75 -0.08 -0.54 0.00 0.00 174.62 176.33 2wbz h GLU 168 N 2.45 0.58 -0.10 3.99 4.81 -1.99 -0.39 114.58 123.93 2wbz h GLU 168 Ca -0.37 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 58.73 2wbz h GLU 168 Cb 1.25 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2wbz h GLU 168 CO 0.57 0.39 -0.31 1.88 -0.73 0.00 0.00 179.01 180.81 2wbz h TYR 169 N 0.60 0.50 -0.54 0.92 0.05 -2.00 -2.78 116.97 113.72 2wbz h TYR 169 Ca 0.48 -0.20 -0.03 0.00 0.05 0.00 0.00 58.73 59.03 2wbz h TYR 169 Cb 0.71 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 38.34 2wbz h TYR 169 CO -0.09 0.92 0.21 0.66 -1.05 0.00 0.00 178.16 178.80 2wbz h SER 170 N -0.06 0.71 0.29 3.88 4.64 -1.74 -2.00 113.55 119.28 2wbz h SER 170 Ca -0.01 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 2wbz h SER 170 Cb 0.93 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 2wbz h SER 170 CO 0.07 0.65 -0.22 0.03 -0.87 0.00 0.00 176.83 176.48 2wbz h ARG 171 N 0.77 0.00 0.13 4.77 3.08 -1.02 -0.81 114.38 121.29 2wbz h ARG 171 Ca 0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2wbz h ARG 171 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2wbz h ARG 171 CO -0.02 0.22 -0.06 0.35 -1.07 0.00 0.00 179.97 179.40 2wbz h PHE 172 N 0.00 -0.16 -0.93 3.04 3.57 -1.08 0.77 116.94 122.15 2wbz h PHE 172 Ca -0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.53 2wbz h PHE 172 Cb 0.43 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 2wbz h PHE 172 CO 0.00 0.05 0.61 0.74 -2.23 0.00 0.00 178.31 177.48 2wbz h PHE 173 N -0.35 1.14 -0.27 0.41 0.04 -1.27 -2.18 116.94 114.46 2wbz h PHE 173 Ca -0.02 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.67 2wbz h PHE 173 Cb 0.28 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 2wbz h PHE 173 CO -0.01 0.65 -0.32 -0.22 -0.60 0.00 0.00 178.31 177.81 2wbz h LYS 174 N 1.17 0.57 -0.24 1.51 1.63 -1.03 0.12 116.57 120.30 2wbz h LYS 174 Ca 0.37 -0.25 -0.05 0.00 -0.85 0.00 0.00 60.65 59.88 2wbz h LYS 174 Cb 0.01 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2wbz h LYS 174 CO -0.12 0.82 -0.03 -0.09 -3.45 0.00 0.00 179.45 176.57 2wbz h ARG 175 N 0.48 0.45 -0.18 1.90 2.43 -0.49 -1.98 114.38 116.99 2wbz h ARG 175 Ca 0.06 -0.16 -0.15 0.00 -0.81 0.00 0.00 59.98 58.92 2wbz h ARG 175 Cb 0.79 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2wbz h ARG 175 CO 0.06 0.65 -0.53 -0.07 -1.51 0.00 0.00 179.97 178.58 2wbz h LEU 176 N 0.21 0.56 -6.52 3.80 -0.00 -1.30 -3.39 115.31 108.66 2wbz h LEU 176 Ca 0.07 -0.29 -0.59 0.00 -0.00 0.00 0.00 57.88 57.06 2wbz h LEU 176 Cb 0.47 -0.16 -0.39 0.00 -0.00 0.00 0.00 40.66 40.58 2wbz h LEU 176 CO 0.02 0.99 -0.89 0.00 -0.00 0.00 0.00 178.44 178.55 2wbz h PRO 178 N 5.97 0.00 -0.65 0.00 0.11 -1.57 -2.93 132.00 132.94 2wbz h PRO 178 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2wbz h PRO 178 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2wbz h PRO 178 CO 0.39 0.06 0.00 -3.47 -0.21 0.00 0.00 178.00 174.77 2wbz n ASP 179 N -3.77 3.26 -4.14 -2.05 2.03 -1.26 -4.85 116.55 105.76 2wbz n ASP 179 Ca -0.02 -2.36 -0.20 0.00 0.52 0.00 0.00 54.79 52.73 2wbz n ASP 179 Cb 0.16 -0.50 -0.13 0.00 -0.72 0.00 0.00 41.12 39.93 2wbz n ASP 179 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wbz s ALA 180 N -1.82 1.15 0.18 -1.67 0.00 -1.10 -4.50 121.76 114.00 2wbz s ALA 180 Ca 0.31 -0.84 -0.32 0.00 0.00 0.00 0.00 51.96 51.11 2wbz s ALA 180 Cb 0.21 -0.17 -0.12 0.00 0.00 0.00 0.00 23.12 23.04 2wbz s ALA 180 CO 0.13 0.21 1.73 1.19 0.00 0.00 0.00 175.76 179.01 2wbz n PHE 181 N 1.83 2.64 0.19 0.00 3.01 -0.57 -4.80 117.46 119.76 2wbz n PHE 181 Ca -0.18 0.04 0.08 0.00 1.01 0.00 0.00 57.45 58.39 2wbz n PHE 181 Cb 0.55 -2.67 -0.12 0.00 -0.01 0.00 0.00 39.48 37.24 2wbz n PHE 181 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2wbz n SER 182 N 4.26 1.16 -3.78 4.37 3.41 -1.26 -0.53 113.62 121.25 2wbz n SER 182 Ca 0.17 -0.23 -0.08 0.00 -0.26 0.00 0.00 58.87 58.47 2wbz n SER 182 Cb 0.34 1.54 -0.02 0.00 -0.26 0.00 0.00 64.21 65.82 2wbz n SER 182 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wbz s TYR 183 N -2.95 -0.24 0.25 7.33 1.13 -1.26 -4.63 117.35 116.99 2wbz s TYR 183 Ca -0.03 -0.18 -0.04 0.00 -1.41 0.00 0.00 57.07 55.42 2wbz s TYR 183 Cb 0.11 0.66 0.39 0.00 -1.10 0.00 0.00 41.96 42.02 2wbz s TYR 183 CO 0.66 -1.16 1.85 0.28 -2.51 0.00 0.00 175.55 174.67 2wbz h VAL 184 N 2.01 1.01 -0.69 -3.49 2.07 -1.92 -1.99 116.25 113.26 2wbz h VAL 184 Ca -0.22 -0.34 -0.15 0.00 0.82 0.00 0.00 66.70 66.81 2wbz h VAL 184 Cb 1.26 -0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 2wbz h VAL 184 CO 0.26 0.18 0.19 0.18 0.02 0.00 0.00 177.57 178.40 2wbz n LEU 185 N -4.62 5.97 -4.73 2.57 4.77 -1.26 -4.99 117.00 114.72 2wbz n LEU 185 Ca 0.14 -3.08 -0.37 0.00 -0.03 0.00 0.00 56.01 52.67 2wbz n LEU 185 Cb 0.22 -0.73 0.07 0.00 -2.33 0.00 0.00 43.42 40.65 2wbz n LEU 185 CO 0.30 0.74 0.89 -0.62 -1.33 0.00 0.00 177.39 177.37 2wbz s ASP 186 N -0.90 4.56 0.02 -1.43 -1.08 -0.75 -4.88 116.67 112.20 2wbz s ASP 186 Ca 0.54 2.59 -0.34 0.00 -0.52 0.00 0.00 52.55 54.82 2wbz s ASP 186 Cb 0.43 -2.61 -0.12 0.00 -1.46 0.00 0.00 42.92 39.15 2wbz s ASP 186 CO 0.14 -2.03 1.76 1.17 0.52 0.00 0.00 175.17 176.73 2wbz n LYS 187 N -2.00 2.20 -1.83 4.34 0.00 -1.26 -4.86 118.16 114.75 2wbz n LYS 187 Ca 0.16 0.80 -0.40 0.00 0.00 0.00 0.00 58.31 58.87 2wbz n LYS 187 Cb 0.48 -2.62 0.02 0.00 0.00 0.00 0.00 35.03 32.91 2wbz n LYS 187 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 2wbz s PRO 188 N 2.78 3.69 -0.20 1.64 0.02 -1.26 -4.91 135.00 136.76 2wbz s PRO 188 Ca 0.87 2.37 0.13 0.00 0.02 0.00 0.00 61.00 64.38 2wbz s PRO 188 Cb -0.68 -2.64 0.41 0.00 0.02 0.00 0.00 34.50 31.61 2wbz s PRO 188 CO 0.46 -0.79 1.25 0.25 -0.33 0.00 0.00 177.00 177.83 2wbz n THR 189 N -0.20 2.20 -2.46 0.99 -2.24 -1.26 -5.04 114.28 106.26 2wbz n THR 189 Ca 0.05 -2.91 -0.41 0.00 -2.27 0.00 0.00 64.05 58.51 2wbz n THR 189 Cb 0.42 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 2wbz n THR 189 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2wbz s THR 190 N -3.15 3.67 -0.12 4.28 2.01 -1.26 -4.77 115.64 116.31 2wbz s THR 190 Ca 0.38 1.50 -0.04 0.00 0.31 0.00 0.00 61.69 63.83 2wbz s THR 190 Cb 0.36 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 2wbz s THR 190 CO -0.03 0.28 0.04 -0.69 -0.69 0.00 0.00 174.62 173.53 2wbz s VAL 191 N -0.45 4.64 -0.25 3.82 1.01 0.29 -4.94 120.40 124.52 2wbz s VAL 191 Ca 0.49 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.22 2wbz s VAL 191 Cb -0.31 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2wbz s VAL 191 CO 0.37 0.57 0.33 -0.89 0.00 0.00 0.00 175.10 175.48 2wbz s THR 192 N -0.60 5.22 0.27 3.92 2.01 -1.26 -1.22 115.64 123.98 2wbz s THR 192 Ca 0.11 0.50 0.10 0.00 0.31 0.00 0.00 61.69 62.71 2wbz s THR 192 Cb -0.12 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.69 2wbz s THR 192 CO 0.02 0.22 -0.07 0.00 -0.69 0.00 0.00 174.62 174.10 2wbz n PRO 194 N -0.77 1.41 -1.68 0.00 -0.02 -1.26 -0.95 135.00 131.73 2wbz n PRO 194 Ca -0.06 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 2wbz n PRO 194 Cb 0.59 -2.13 -0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2wbz n PRO 194 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wbz n GLY 195 N 1.12 0.45 2.23 -1.23 0.00 -0.72 -2.47 105.19 104.56 2wbz n GLY 195 Ca 0.09 0.29 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 2wbz n GLY 195 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wbz n SER 196 N 0.72 -3.81 -4.71 1.61 7.64 -1.26 -4.91 113.62 108.90 2wbz n SER 196 Ca 0.06 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.64 2wbz n SER 196 Cb 0.36 -2.99 0.14 0.00 -1.01 0.00 0.00 64.21 60.71 2wbz n SER 196 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2wbz s SER 197 N -2.49 3.47 0.30 6.43 0.01 -1.03 -4.98 113.70 115.41 2wbz s SER 197 Ca 0.00 1.60 0.10 0.00 1.31 0.00 0.00 55.95 58.96 2wbz s SER 197 Cb 0.00 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.91 2wbz s SER 197 CO 0.00 -2.66 -0.08 0.20 0.41 0.00 0.00 173.24 171.11 2wbz s ASN 198 N -3.31 4.01 0.10 2.44 0.01 -1.26 -4.66 114.94 112.27 2wbz s ASN 198 Ca 0.64 -0.95 -0.04 0.00 -0.71 0.00 0.00 52.86 51.80 2wbz s ASN 198 Cb -0.19 -0.50 -0.03 0.00 0.41 0.00 0.00 41.25 40.94 2wbz s ASN 198 CO 0.57 -0.08 0.09 -0.31 -1.51 0.00 0.00 177.10 175.86 2wbz s TYR 199 N -2.48 0.53 -0.06 2.20 2.02 -0.58 -0.47 117.35 118.51 2wbz s TYR 199 Ca 0.32 -0.97 0.02 0.00 -0.37 0.00 0.00 57.07 56.06 2wbz s TYR 199 Cb -0.03 -0.30 0.02 0.00 -0.40 0.00 0.00 41.96 41.25 2wbz s TYR 199 CO 0.18 -0.51 -0.09 0.50 -1.57 0.00 0.00 175.55 174.06 2wbz s ARG 200 N -3.95 1.37 -0.24 -0.62 3.52 0.50 -0.99 118.95 118.53 2wbz s ARG 200 Ca 0.13 -0.29 -0.07 0.00 -0.13 0.00 0.00 55.73 55.37 2wbz s ARG 200 Cb 0.06 -1.20 -0.03 0.00 -1.56 0.00 0.00 34.95 32.22 2wbz s ARG 200 CO -0.05 -0.02 0.07 0.08 -0.81 0.00 0.00 175.30 174.57 2wbz s VAL 201 N 0.79 4.46 -0.21 7.11 1.01 -0.08 -1.23 120.40 132.25 2wbz s VAL 201 Ca -0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 2wbz s VAL 201 Cb -0.15 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.16 2wbz s VAL 201 CO 0.02 0.36 -0.11 -0.89 0.00 0.00 0.00 175.10 174.48 2wbz s THR 202 N 1.35 2.81 0.22 3.92 2.01 0.22 -0.44 115.64 125.73 2wbz s THR 202 Ca 0.05 -0.72 -0.27 0.00 0.31 0.00 0.00 61.69 61.07 2wbz s THR 202 Cb -0.15 -2.26 -0.09 0.00 0.01 0.00 0.00 72.50 70.01 2wbz s THR 202 CO 0.04 0.45 0.86 -0.36 -0.69 0.00 0.00 174.62 174.92 2wbz s PHE 203 N 1.39 3.89 -1.15 4.92 0.08 0.11 -0.81 117.98 126.41 2wbz s PHE 203 Ca 0.05 1.75 -0.18 0.00 0.12 0.00 0.00 56.93 58.67 2wbz s PHE 203 Cb -0.14 -2.86 -0.01 0.00 -0.57 0.00 0.00 43.02 39.43 2wbz s PHE 203 CO -0.07 0.43 0.79 0.00 -0.10 0.00 0.00 175.22 176.27 2wbz h PRO 205 N -1.83 0.00 0.00 0.00 0.13 -1.80 -3.41 132.00 125.10 2wbz h PRO 205 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2wbz h PRO 205 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 2wbz h PRO 205 CO 0.49 0.10 0.00 0.25 -0.23 0.00 0.00 178.00 178.60