#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ww4 n THR 3 N 0.00 0.00 -0.77 4.28 5.66 -1.26 -5.16 114.28 117.03 1ww4 n THR 3 Ca 0.00 -1.45 -0.28 0.00 -3.05 0.00 0.00 64.05 59.27 1ww4 n THR 3 Cb 0.00 1.46 0.23 0.00 -1.55 0.00 0.00 70.33 70.48 1ww4 n THR 3 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1ww4 s SER 4 N -1.20 1.28 -0.01 1.09 0.01 -1.26 -4.91 113.70 108.70 1ww4 s SER 4 Ca 0.22 1.28 -0.02 0.00 1.31 0.00 0.00 55.95 58.74 1ww4 s SER 4 Cb 0.29 -1.98 0.00 0.00 0.21 0.00 0.00 66.02 64.54 1ww4 s SER 4 CO -0.06 -3.98 0.04 0.00 0.41 0.00 0.00 173.24 169.66 1ww4 s ALA 5 N -2.65 -0.10 -0.20 1.44 0.00 0.38 -4.99 121.76 115.64 1ww4 s ALA 5 Ca 0.68 0.07 -0.05 0.00 0.00 0.00 0.00 51.96 52.65 1ww4 s ALA 5 Cb -0.21 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1ww4 s ALA 5 CO 0.62 -0.04 0.01 0.08 0.00 0.00 0.00 175.76 176.42 1ww4 s VAL 6 N -0.14 4.01 -0.06 0.00 1.01 -1.26 -1.77 120.40 122.19 1ww4 s VAL 6 Ca -0.02 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.71 1ww4 s VAL 6 Cb -0.01 -2.82 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1ww4 s VAL 6 CO 0.00 0.42 -0.19 0.20 0.00 0.00 0.00 175.10 175.53 1ww4 s ASN 7 N 1.03 2.45 -0.10 3.32 -0.87 -0.65 -4.97 114.94 115.15 1ww4 s ASN 7 Ca 0.02 -0.41 0.02 0.00 -1.57 0.00 0.00 52.86 50.91 1ww4 s ASN 7 Cb -0.14 -0.82 -0.02 0.00 -0.02 0.00 0.00 41.25 40.25 1ww4 s ASN 7 CO 0.02 0.16 -0.15 -0.63 -2.57 0.00 0.00 177.10 173.93 1ww4 s ILE 8 N 0.13 2.95 0.02 0.60 1.01 -1.26 -0.73 121.20 123.92 1ww4 s ILE 8 Ca -0.08 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1ww4 s ILE 8 Cb -0.14 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.12 1ww4 s ILE 8 CO 0.04 0.55 -0.07 -0.31 0.00 0.00 0.00 174.94 175.15 1ww4 s TYR 9 N -0.00 0.58 -0.23 3.97 2.02 0.67 -4.99 117.35 119.38 1ww4 s TYR 9 Ca -0.04 -0.28 -0.07 0.00 -0.37 0.00 0.00 57.07 56.31 1ww4 s TYR 9 Cb -0.14 -0.36 -0.03 0.00 -0.40 0.00 0.00 41.96 41.02 1ww4 s TYR 9 CO 0.04 -0.04 0.07 -0.80 -1.57 0.00 0.00 175.55 173.25 1ww4 s ASN 10 N -0.79 5.24 -0.28 2.29 0.01 -1.26 -0.25 114.94 119.89 1ww4 s ASN 10 Ca -0.03 -0.14 -0.02 0.00 -0.71 0.00 0.00 52.86 51.96 1ww4 s ASN 10 Cb -0.06 -1.93 0.04 0.00 0.41 0.00 0.00 41.25 39.71 1ww4 s ASN 10 CO 0.00 0.02 -0.01 -0.63 -1.51 0.00 0.00 177.10 174.97 1ww4 s ILE 11 N 1.29 3.07 0.28 0.60 1.01 0.58 -4.96 121.20 123.08 1ww4 s ILE 11 Ca 0.05 -1.16 -0.25 0.00 0.00 0.00 0.00 60.65 59.29 1ww4 s ILE 11 Cb -0.15 -2.67 -0.09 0.00 0.01 0.00 0.00 42.46 39.56 1ww4 s ILE 11 CO 0.03 0.03 0.88 -0.44 0.00 0.00 0.00 174.94 175.45 1ww4 s SER 12 N 1.31 7.30 0.19 3.58 0.01 -1.26 -0.92 113.70 123.92 1ww4 s SER 12 Ca -0.02 1.74 -0.33 0.00 1.31 0.00 0.00 55.95 58.65 1ww4 s SER 12 Cb -0.18 -2.54 -0.15 0.00 0.21 0.00 0.00 66.02 63.36 1ww4 s SER 12 CO -0.02 -0.01 1.32 0.00 0.41 0.00 0.00 173.24 174.94 1ww4 n ALA 13 N 0.74 0.21 -0.27 1.44 0.00 -0.24 -0.69 120.51 121.70 1ww4 n ALA 13 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1ww4 n ALA 13 Cb 0.50 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1ww4 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ww4 n GLY 14 N 2.25 1.02 3.96 0.00 0.00 0.27 -4.96 105.19 107.73 1ww4 n GLY 14 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1ww4 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ww4 s ALA 15 N -2.74 4.37 -0.06 4.61 0.00 0.13 -4.94 121.76 123.13 1ww4 s ALA 15 Ca 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 51.96 50.14 1ww4 s ALA 15 Cb 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 23.12 21.82 1ww4 s ALA 15 CO 0.00 -0.33 0.14 0.45 0.00 0.00 0.00 175.76 176.02 1ww4 s SER 16 N -4.30 -0.13 0.07 0.00 0.15 -1.26 -1.79 113.70 106.45 1ww4 s SER 16 Ca 0.52 0.30 0.10 0.00 0.70 0.00 0.00 55.95 57.56 1ww4 s SER 16 Cb -0.06 0.23 -0.03 0.00 -1.71 0.00 0.00 66.02 64.44 1ww4 s SER 16 CO 0.31 -0.11 -0.26 0.68 1.20 0.00 0.00 173.24 175.06 1ww4 s VAL 17 N 0.74 2.11 -0.25 4.45 -7.23 -0.08 -4.97 120.40 115.17 1ww4 s VAL 17 Ca -0.06 -1.49 -0.18 0.00 -1.81 0.00 0.00 61.98 58.45 1ww4 s VAL 17 Cb -0.07 -1.83 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 1ww4 s VAL 17 CO -0.04 0.25 0.50 -1.81 -0.31 0.00 0.00 175.10 173.69 1ww4 s ASP 18 N -1.51 6.44 0.35 4.85 1.01 -1.26 -2.11 116.67 124.43 1ww4 s ASP 18 Ca 0.12 0.53 -0.28 0.00 0.71 0.00 0.00 52.55 53.62 1ww4 s ASP 18 Cb -0.10 -2.28 -0.10 0.00 1.01 0.00 0.00 42.92 41.45 1ww4 s ASP 18 CO 0.03 -0.26 1.35 -0.76 0.21 0.00 0.00 175.17 175.75 1ww4 s LEU 19 N 2.17 4.39 0.18 1.23 1.43 -0.52 -4.88 118.68 122.67 1ww4 s LEU 19 Ca 0.21 2.78 0.26 0.00 -1.03 0.00 0.00 54.13 56.36 1ww4 s LEU 19 Cb -0.16 -3.67 0.89 0.00 0.03 0.00 0.00 46.19 43.29 1ww4 s LEU 19 CO 0.09 -0.64 1.79 0.00 0.23 0.00 0.00 176.35 177.82 1ww4 n ALA 20 N 0.68 2.21 -3.70 4.21 0.00 -1.26 -4.64 120.51 118.01 1ww4 n ALA 20 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.28 1ww4 n ALA 20 Cb 0.41 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 18.26 1ww4 n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ww4 s ALA 21 N -3.10 -0.38 0.49 0.00 0.00 -1.26 -5.15 121.76 112.36 1ww4 s ALA 21 Ca 0.10 0.79 -0.22 0.00 0.00 0.00 0.00 51.96 52.64 1ww4 s ALA 21 Cb 0.13 -0.75 -0.07 0.00 0.00 0.00 0.00 23.12 22.43 1ww4 s ALA 21 CO 0.56 -0.41 1.17 -1.25 0.00 0.00 0.00 175.76 175.83 1ww4 s PRO 22 N 1.85 3.57 -0.37 0.00 0.04 -1.26 -4.98 135.00 133.85 1ww4 s PRO 22 Ca -0.03 1.77 -0.19 0.00 0.04 0.00 0.00 61.00 62.60 1ww4 s PRO 22 Cb -0.12 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.16 1ww4 s PRO 22 CO -0.07 -0.71 0.53 0.08 0.04 0.00 0.00 177.00 176.87 1ww4 s VAL 23 N -1.59 4.99 0.12 -0.36 1.01 0.00 -4.89 120.40 119.68 1ww4 s VAL 23 Ca 0.67 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1ww4 s VAL 23 Cb -0.28 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1ww4 s VAL 23 CO 0.34 -0.30 0.00 1.07 0.00 0.00 0.00 175.10 176.20 1ww4 n THR 24 N 5.51 0.00 -1.64 3.92 5.66 -1.26 -1.07 114.28 125.40 1ww4 n THR 24 Ca -0.04 -0.58 -0.50 0.00 -3.05 0.00 0.00 64.05 59.88 1ww4 n THR 24 Cb 0.49 0.10 -0.05 0.00 -1.55 0.00 0.00 70.33 69.32 1ww4 n THR 24 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1ww4 n THR 25 N -0.32 0.07 0.00 1.09 -1.04 -1.26 -1.05 114.28 111.78 1ww4 n THR 25 Ca -0.05 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1ww4 n THR 25 Cb 0.15 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 1ww4 n THR 25 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ww4 n GLY 26 N 3.17 1.53 3.93 3.41 0.00 0.38 -4.62 105.19 112.99 1ww4 n GLY 26 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1ww4 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ww4 s ASP 27 N -2.90 5.24 0.07 1.61 1.01 -0.21 -4.49 116.67 116.99 1ww4 s ASP 27 Ca 0.00 0.50 0.06 0.00 0.71 0.00 0.00 52.55 53.83 1ww4 s ASP 27 Cb 0.00 -1.35 -0.03 0.00 1.01 0.00 0.00 42.92 42.55 1ww4 s ASP 27 CO 0.00 -1.28 -0.17 -0.63 0.21 0.00 0.00 175.17 173.30 1ww4 s ILE 28 N -3.06 1.33 -0.05 0.77 1.01 0.07 -2.24 121.20 119.04 1ww4 s ILE 28 Ca 0.57 -1.33 -0.00 0.00 0.00 0.00 0.00 60.65 59.89 1ww4 s ILE 28 Cb -0.11 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.16 1ww4 s ILE 28 CO 0.44 -0.11 -0.00 -0.69 0.00 0.00 0.00 174.94 174.57 1ww4 s VAL 29 N -1.15 0.30 0.03 2.92 1.01 -0.72 -0.56 120.40 122.22 1ww4 s VAL 29 Ca 0.02 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.18 1ww4 s VAL 29 Cb -0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1ww4 s VAL 29 CO 0.03 0.21 -0.25 -0.89 0.00 0.00 0.00 175.10 174.20 1ww4 s THR 30 N 1.50 1.98 -0.15 3.92 2.01 -0.07 -0.24 115.64 124.59 1ww4 s THR 30 Ca -0.03 -1.25 -0.01 0.00 0.31 0.00 0.00 61.69 60.71 1ww4 s THR 30 Cb -0.13 -1.69 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 1ww4 s THR 30 CO -0.03 0.39 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.83 1ww4 s PHE 31 N -0.74 2.87 -0.19 4.92 0.08 0.22 -1.80 117.98 123.35 1ww4 s PHE 31 Ca 0.10 -0.69 -0.03 0.00 0.12 0.00 0.00 56.93 56.44 1ww4 s PHE 31 Cb -0.10 -1.92 -0.01 0.00 -0.57 0.00 0.00 43.02 40.42 1ww4 s PHE 31 CO 0.01 -0.28 -0.07 -0.06 -0.10 0.00 0.00 175.22 174.72 1ww4 s PHE 32 N 0.63 2.92 -0.06 0.36 0.08 0.13 -0.79 117.98 121.24 1ww4 s PHE 32 Ca -0.06 -0.82 0.03 0.00 0.12 0.00 0.00 56.93 56.20 1ww4 s PHE 32 Cb -0.15 -2.01 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 1ww4 s PHE 32 CO 0.03 -0.41 -0.13 0.45 -0.10 0.00 0.00 175.22 175.06 1ww4 s SER 33 N 1.03 4.11 -0.23 1.36 0.15 0.49 -1.23 113.70 119.38 1ww4 s SER 33 Ca -0.00 -0.19 0.15 0.00 0.70 0.00 0.00 55.95 56.61 1ww4 s SER 33 Cb -0.15 -0.99 0.77 0.00 -1.71 0.00 0.00 66.02 63.95 1ww4 s SER 33 CO -0.01 0.33 1.70 -1.54 1.20 0.00 0.00 173.24 174.92 1ww4 n SER 34 N 2.45 5.43 -3.55 5.45 3.41 -1.26 -1.94 113.62 123.60 1ww4 n SER 34 Ca -0.17 -2.95 -0.13 0.00 -0.26 0.00 0.00 58.87 55.36 1ww4 n SER 34 Cb 0.52 -0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 63.77 1ww4 n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ww4 s ALA 35 N -2.77 -1.30 -0.16 7.33 0.00 -1.10 -4.69 121.76 119.07 1ww4 s ALA 35 Ca 0.53 0.42 -0.05 0.00 0.00 0.00 0.00 51.96 52.86 1ww4 s ALA 35 Cb 0.40 0.57 0.08 0.00 0.00 0.00 0.00 23.12 24.17 1ww4 s ALA 35 CO 0.15 -0.60 0.28 -1.17 0.00 0.00 0.00 175.76 174.42 1ww4 s LEU 36 N -2.35 -0.32 -0.43 0.00 2.96 -1.25 -4.18 118.68 113.12 1ww4 s LEU 36 Ca -0.02 0.43 0.03 0.00 -0.22 0.00 0.00 54.13 54.35 1ww4 s LEU 36 Cb -0.00 0.72 0.12 0.00 0.50 0.00 0.00 46.19 47.53 1ww4 s LEU 36 CO -0.07 -0.26 0.18 0.20 -1.32 0.00 0.00 176.35 175.08 1ww4 s ASN 37 N 2.43 4.27 0.00 3.68 0.02 -0.85 -4.82 114.94 119.67 1ww4 s ASN 37 Ca 0.03 -2.54 0.28 0.00 -1.02 0.00 0.00 52.86 49.62 1ww4 s ASN 37 Cb -0.13 -1.43 1.16 0.00 0.02 0.00 0.00 41.25 40.88 1ww4 s ASN 37 CO -0.10 -0.30 1.85 0.18 0.02 0.00 0.00 177.10 178.74 1ww4 n LEU 38 N 3.71 0.23 -2.48 0.60 7.99 -1.26 -3.62 117.00 122.17 1ww4 n LEU 38 Ca 0.05 0.23 -0.21 0.00 -0.01 0.00 0.00 56.01 56.07 1ww4 n LEU 38 Cb 0.36 -0.32 0.01 0.00 -0.11 0.00 0.00 43.42 43.36 1ww4 n LEU 38 CO 0.26 0.05 0.10 -1.54 -1.51 0.00 0.00 177.39 174.75 1ww4 n SER 39 N -1.30 3.79 -0.06 -1.43 3.41 -1.26 -4.86 113.62 111.91 1ww4 n SER 39 Ca 0.10 -3.39 -0.10 0.00 -0.26 0.00 0.00 58.87 55.22 1ww4 n SER 39 Cb 0.30 -0.46 -0.09 0.00 -0.26 0.00 0.00 64.21 63.70 1ww4 n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ww4 h ALA 40 N 2.62 0.00 0.00 7.33 0.00 -1.91 -3.51 119.26 123.80 1ww4 h ALA 40 Ca 0.19 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ww4 h ALA 40 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ww4 h ALA 40 CO 0.72 0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1ww4 n GLY 41 N 1.65 -0.22 3.88 0.00 0.00 -1.26 -4.86 105.19 104.38 1ww4 n GLY 41 Ca -0.07 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.36 1ww4 n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ww4 s ALA 42 N -1.00 3.78 0.02 4.61 0.00 -1.26 -4.31 121.76 123.60 1ww4 s ALA 42 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 1ww4 s ALA 42 Cb 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.90 1ww4 s ALA 42 CO 0.00 0.61 0.20 0.20 0.00 0.00 0.00 175.76 176.77 1ww4 s GLY 43 N -1.77 2.19 -0.93 0.00 0.00 -1.26 -4.85 107.32 100.69 1ww4 s GLY 43 Ca 0.31 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.26 1ww4 s GLY 43 CO 0.18 -0.68 1.68 1.44 0.00 0.00 0.00 173.10 175.72 1ww4 n SER 44 N 0.71 6.85 0.01 1.64 7.64 -1.26 -3.98 113.62 125.23 1ww4 n SER 44 Ca -0.09 -3.70 0.11 0.00 1.01 0.00 0.00 58.87 56.20 1ww4 n SER 44 Cb 0.52 -1.05 0.04 0.00 -1.01 0.00 0.00 64.21 62.71 1ww4 n SER 44 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1ww4 n PRO 45 N -0.13 0.12 -3.06 1.43 -0.04 -1.26 -5.06 135.00 127.00 1ww4 n PRO 45 Ca 0.45 -0.01 -0.40 0.00 -0.04 0.00 0.00 63.50 63.50 1ww4 n PRO 45 Cb 0.29 -1.53 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 1ww4 n PRO 45 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1ww4 s ASN 46 N -3.35 6.83 0.08 3.54 0.02 -1.26 -4.67 114.94 116.13 1ww4 s ASN 46 Ca 0.07 1.01 -0.12 0.00 -1.02 0.00 0.00 52.86 52.79 1ww4 s ASN 46 Cb 0.16 -2.39 -0.21 0.00 0.02 0.00 0.00 41.25 38.83 1ww4 s ASN 46 CO 0.80 -0.24 1.21 0.78 0.02 0.00 0.00 177.10 179.66 1ww4 h ASN 47 N 7.21 0.85 -3.68 -1.22 4.21 -1.20 -3.27 115.58 118.48 1ww4 h ASN 47 Ca -0.34 -0.69 -0.15 0.00 1.21 0.00 0.00 56.30 56.33 1ww4 h ASN 47 Cb 1.16 -0.26 -0.26 0.00 -1.12 0.00 0.00 38.32 37.84 1ww4 h ASN 47 CO 0.78 1.49 -0.37 -0.89 -1.29 0.00 0.00 177.43 177.15 1ww4 s THR 48 N -3.29 -0.01 -0.03 2.81 2.01 -1.19 -2.75 115.64 113.20 1ww4 s THR 48 Ca -0.09 0.04 0.01 0.00 0.31 0.00 0.00 61.69 61.96 1ww4 s THR 48 Cb 0.07 -0.45 0.01 0.00 0.01 0.00 0.00 72.50 72.15 1ww4 s THR 48 CO 0.91 0.02 -0.04 0.00 -0.69 0.00 0.00 174.62 174.82 1ww4 s ALA 49 N 0.52 0.52 -0.12 7.40 0.00 -0.28 -0.70 121.76 129.10 1ww4 s ALA 49 Ca -0.03 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.91 1ww4 s ALA 49 Cb -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1ww4 s ALA 49 CO -0.03 0.02 -0.22 -0.51 0.00 0.00 0.00 175.76 175.02 1ww4 s LEU 50 N 0.59 2.14 0.01 0.00 2.01 0.32 -1.37 118.68 122.38 1ww4 s LEU 50 Ca -0.07 -0.57 0.05 0.00 0.01 0.00 0.00 54.13 53.55 1ww4 s LEU 50 Cb -0.10 -1.44 -0.02 0.00 0.01 0.00 0.00 46.19 44.64 1ww4 s LEU 50 CO -0.00 0.12 -0.16 0.20 1.01 0.00 0.00 176.35 177.51 1ww4 s ASN 51 N 0.57 1.94 -0.27 2.29 -0.87 -0.51 -0.53 114.94 117.57 1ww4 s ASN 51 Ca -0.13 -0.37 -0.05 0.00 -1.57 0.00 0.00 52.86 50.73 1ww4 s ASN 51 Cb -0.17 -0.18 0.01 0.00 -0.02 0.00 0.00 41.25 40.89 1ww4 s ASN 51 CO 0.04 0.15 0.03 -0.76 -2.57 0.00 0.00 177.10 173.99 1ww4 s LEU 52 N -0.71 3.55 -0.05 0.60 1.02 0.09 -2.00 118.68 121.17 1ww4 s LEU 52 Ca 0.05 -0.66 0.03 0.00 0.02 0.00 0.00 54.13 53.57 1ww4 s LEU 52 Cb -0.07 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.30 1ww4 s LEU 52 CO 0.00 -0.14 -0.13 -0.76 0.02 0.00 0.00 176.35 175.34 1ww4 s LEU 53 N 1.47 2.82 0.89 1.79 1.43 0.11 -0.59 118.68 126.60 1ww4 s LEU 53 Ca 0.03 -0.16 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 1ww4 s LEU 53 Cb -0.17 -1.58 0.14 0.00 0.03 0.00 0.00 46.19 44.61 1ww4 s LEU 53 CO 0.00 0.35 1.21 -0.94 0.23 0.00 0.00 176.35 177.20 1ww4 s SER 54 N -0.73 3.75 0.00 2.29 1.04 0.01 -1.61 113.70 118.46 1ww4 s SER 54 Ca 0.11 0.65 0.13 0.00 0.48 0.00 0.00 55.95 57.32 1ww4 s SER 54 Cb -0.11 -1.01 0.56 0.00 0.10 0.00 0.00 66.02 65.56 1ww4 s SER 54 CO 0.01 -2.37 1.40 1.21 0.98 0.00 0.00 173.24 174.47 1ww4 n GLU 55 N -3.60 0.02 0.00 4.02 2.13 -1.26 -1.52 120.64 120.43 1ww4 n GLU 55 Ca 0.10 0.27 0.12 0.00 0.66 0.00 0.00 57.16 58.31 1ww4 n GLU 55 Cb 0.60 -1.50 0.16 0.00 0.27 0.00 0.00 31.44 30.97 1ww4 n GLU 55 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ww4 n ASN 56 N -1.48 2.14 0.00 4.31 3.02 -1.26 -4.92 115.26 117.07 1ww4 n ASN 56 Ca 0.03 -1.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.00 1ww4 n ASN 56 Cb 0.15 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1ww4 n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ww4 n GLY 57 N 1.35 0.71 3.77 7.41 0.00 -0.58 -4.69 105.19 113.16 1ww4 n GLY 57 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1ww4 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ww4 s ALA 58 N -2.62 3.23 -1.18 4.61 0.00 -1.26 -4.44 121.76 120.11 1ww4 s ALA 58 Ca 0.00 1.30 -0.14 0.00 0.00 0.00 0.00 51.96 53.12 1ww4 s ALA 58 Cb 0.00 -3.52 0.16 0.00 0.00 0.00 0.00 23.12 19.77 1ww4 s ALA 58 CO 0.00 -0.95 1.41 0.71 0.00 0.00 0.00 175.76 176.93 1ww4 s TYR 59 N -1.25 3.44 0.19 0.00 2.02 0.84 -0.81 117.35 121.78 1ww4 s TYR 59 Ca 0.59 -2.04 -0.22 0.00 -0.37 0.00 0.00 57.07 55.03 1ww4 s TYR 59 Cb -0.40 -4.32 0.11 0.00 -0.40 0.00 0.00 41.96 36.95 1ww4 s TYR 59 CO 0.51 -1.42 1.57 -0.07 -1.57 0.00 0.00 175.55 174.57 1ww4 h LEU 60 N 9.87 -1.32 -7.44 -1.29 -0.00 -1.12 -3.05 115.31 110.96 1ww4 h LEU 60 Ca 0.30 0.25 -0.28 0.00 -0.00 0.00 0.00 57.88 58.15 1ww4 h LEU 60 Cb 0.89 0.64 -0.34 0.00 -0.00 0.00 0.00 40.66 41.86 1ww4 h LEU 60 CO 1.23 -0.31 -0.67 -0.22 -0.00 0.00 0.00 178.44 178.48 1ww4 s LEU 61 N -10.70 0.76 -0.18 1.67 2.96 -0.82 -4.65 118.68 107.72 1ww4 s LEU 61 Ca -0.14 0.18 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1ww4 s LEU 61 Cb 0.16 0.13 -0.01 0.00 0.50 0.00 0.00 46.19 46.97 1ww4 s LEU 61 CO 0.68 -0.16 -0.11 -2.28 -1.32 0.00 0.00 176.35 173.17 1ww4 s HIS 62 N 1.31 2.87 -0.17 5.38 5.65 -0.30 -0.73 115.29 129.28 1ww4 s HIS 62 Ca -0.07 -0.95 0.01 0.00 0.25 0.00 0.00 55.06 54.31 1ww4 s HIS 62 Cb -0.12 -1.97 0.02 0.00 -1.18 0.00 0.00 32.58 29.33 1ww4 s HIS 62 CO -0.04 -0.46 -0.20 0.42 -0.65 0.00 0.00 174.74 173.81 1ww4 s ILE 63 N 1.00 2.14 -0.07 0.89 1.01 0.31 -2.34 121.20 124.13 1ww4 s ILE 63 Ca -0.01 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1ww4 s ILE 63 Cb -0.15 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.45 1ww4 s ILE 63 CO -0.01 0.54 -0.10 0.00 0.00 0.00 0.00 174.94 175.37 1ww4 s ALA 64 N 1.20 1.15 -0.26 9.38 0.00 -0.63 -0.53 121.76 132.07 1ww4 s ALA 64 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 51.96 51.52 1ww4 s ALA 64 Cb -0.14 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 1ww4 s ALA 64 CO -0.10 -0.03 0.15 -0.06 0.00 0.00 0.00 175.76 175.71 1ww4 s PHE 65 N 0.96 3.18 -0.38 0.00 0.40 0.13 -0.59 117.98 121.68 1ww4 s PHE 65 Ca -0.09 -0.05 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 1ww4 s PHE 65 Cb -0.15 -2.32 0.11 0.00 0.51 0.00 0.00 43.02 41.17 1ww4 s PHE 65 CO 0.00 -0.20 0.10 1.03 0.70 0.00 0.00 175.22 176.85 1ww4 s ARG 66 N 1.63 1.60 0.10 0.44 0.52 0.10 -0.72 118.95 122.62 1ww4 s ARG 66 Ca 0.07 -2.02 -0.29 0.00 -0.52 0.00 0.00 55.73 52.97 1ww4 s ARG 66 Cb -0.15 -3.25 -0.13 0.00 0.52 0.00 0.00 34.95 31.94 1ww4 s ARG 66 CO 0.08 -0.98 1.64 -0.07 0.02 0.00 0.00 175.30 175.99 1ww4 h LEU 67 N 7.43 -0.70 -1.53 2.53 4.07 -1.82 0.52 115.31 125.81 1ww4 h LEU 67 Ca -0.05 0.06 0.08 0.00 0.08 0.00 0.00 57.88 58.05 1ww4 h LEU 67 Cb 1.00 0.24 -0.04 0.00 1.08 0.00 0.00 40.66 42.93 1ww4 h LEU 67 CO 0.56 -0.39 0.42 0.06 -1.08 0.00 0.00 178.44 178.01 1ww4 h GLN 68 N -0.57 0.54 -0.22 1.13 -0.00 -1.92 0.47 115.11 114.55 1ww4 h GLN 68 Ca -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1ww4 h GLN 68 Cb 0.52 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 27.88 1ww4 h GLN 68 CO -0.04 0.36 0.00 0.39 -0.00 0.00 0.00 178.83 179.54 1ww4 n GLU 69 N -4.48 2.05 -4.08 0.06 1.02 -1.07 -4.96 120.64 109.18 1ww4 n GLU 69 Ca 0.10 -1.57 -0.38 0.00 -0.02 0.00 0.00 57.16 55.28 1ww4 n GLU 69 Cb 0.29 -1.45 -0.01 0.00 -0.02 0.00 0.00 31.44 30.24 1ww4 n GLU 69 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ww4 n ASN 70 N 0.81 -2.29 -3.85 1.62 2.85 0.17 -4.92 115.26 109.65 1ww4 n ASN 70 Ca 0.17 -1.18 -0.09 0.00 -0.11 0.00 0.00 54.58 53.38 1ww4 n ASN 70 Cb 0.45 -1.42 -0.04 0.00 1.24 0.00 0.00 39.78 40.01 1ww4 n ASN 70 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1ww4 s VAL 71 N -3.85 0.02 -0.08 3.44 1.01 -0.54 -2.41 120.40 117.98 1ww4 s VAL 71 Ca 0.31 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1ww4 s VAL 71 Cb -0.17 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1ww4 s VAL 71 CO 0.89 -0.08 -0.18 -0.63 0.00 0.00 0.00 175.10 175.10 1ww4 s ILE 72 N -3.93 1.58 -0.06 2.22 1.01 -0.45 -0.72 121.20 120.84 1ww4 s ILE 72 Ca 0.14 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1ww4 s ILE 72 Cb -0.01 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 1ww4 s ILE 72 CO 0.02 0.45 -0.10 -0.69 0.00 0.00 0.00 174.94 174.63 1ww4 s VAL 73 N 0.51 3.46 -0.16 2.92 1.01 0.24 -1.00 120.40 127.39 1ww4 s VAL 73 Ca -0.17 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1ww4 s VAL 73 Cb -0.17 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.83 1ww4 s VAL 73 CO 0.06 0.59 -0.17 -0.36 0.00 0.00 0.00 175.10 175.22 1ww4 s PHE 74 N -0.73 2.42 0.15 5.22 0.40 -0.52 -1.61 117.98 123.31 1ww4 s PHE 74 Ca 0.11 -1.36 -0.01 0.00 -0.60 0.00 0.00 56.93 55.07 1ww4 s PHE 74 Cb -0.11 -1.72 0.01 0.00 0.51 0.00 0.00 43.02 41.71 1ww4 s PHE 74 CO 0.01 -0.70 0.22 -1.71 0.70 0.00 0.00 175.22 173.74 1ww4 n ASN 75 N 4.60 -0.62 -3.73 1.36 2.85 -0.99 -0.86 115.26 117.88 1ww4 n ASN 75 Ca -0.19 -1.77 -0.09 0.00 -0.11 0.00 0.00 54.58 52.42 1ww4 n ASN 75 Cb 0.50 1.13 -0.03 0.00 1.24 0.00 0.00 39.78 42.62 1ww4 n ASN 75 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1ww4 s SER 76 N -1.90 -0.05 0.00 1.20 0.01 -1.26 -1.15 113.70 110.54 1ww4 s SER 76 Ca 0.11 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1ww4 s SER 76 Cb -0.01 0.68 0.00 0.00 0.21 0.00 0.00 66.02 66.91 1ww4 s SER 76 CO 0.08 -1.31 0.00 -2.11 0.41 0.00 0.00 173.24 170.31 1ww4 n ARG 77 N -0.45 0.00 -2.09 12.44 1.85 -1.15 -2.15 116.66 125.11 1ww4 n ARG 77 Ca -0.03 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.50 1ww4 n ARG 77 Cb 0.60 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 32.01 1ww4 n ARG 77 CO 0.00 0.00 0.00 -1.14 -0.01 0.00 0.00 177.63 176.48 1ww4 s GLN 78 N -1.61 3.68 0.56 2.89 2.00 -1.26 -0.11 119.66 125.80 1ww4 s GLN 78 Ca 0.00 0.89 -0.21 0.00 -2.00 0.00 0.00 55.36 54.04 1ww4 s GLN 78 Cb 0.00 -2.09 -0.05 0.00 0.80 0.00 0.00 33.01 31.66 1ww4 s GLN 78 CO 0.00 -0.50 1.15 -2.30 -0.50 0.00 0.00 175.29 173.13 1ww4 n PRO 79 N -2.22 1.29 -4.07 1.67 -0.02 -1.26 -2.57 135.00 127.81 1ww4 n PRO 79 Ca 0.07 0.48 -0.35 0.00 -2.02 0.00 0.00 63.50 61.68 1ww4 n PRO 79 Cb 0.54 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1ww4 n PRO 79 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1ww4 n ASN 80 N -0.73 -1.41 -3.97 2.55 3.02 -1.26 -4.92 115.26 108.53 1ww4 n ASN 80 Ca 0.12 -1.14 -0.09 0.00 -0.03 0.00 0.00 54.58 53.44 1ww4 n ASN 80 Cb 0.45 -1.38 -0.08 0.00 -0.61 0.00 0.00 39.78 38.16 1ww4 n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ww4 s ALA 81 N -3.96 0.12 0.69 5.41 0.00 -1.06 -5.17 121.76 117.79 1ww4 s ALA 81 Ca 0.22 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 1ww4 s ALA 81 Cb -0.12 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.71 1ww4 s ALA 81 CO 0.86 -0.56 1.06 -1.25 0.00 0.00 0.00 175.76 175.87 1ww4 s PRO 82 N -3.95 2.99 0.48 0.00 0.04 -1.26 -4.75 135.00 128.56 1ww4 s PRO 82 Ca 0.14 0.93 -0.23 0.00 0.04 0.00 0.00 61.00 61.87 1ww4 s PRO 82 Cb 0.05 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 1ww4 s PRO 82 CO -0.04 -1.05 1.29 -1.58 0.04 0.00 0.00 177.00 175.66 1ww4 s TRP 83 N -3.06 2.59 0.00 0.56 0.23 -1.26 -4.59 118.94 113.41 1ww4 s TRP 83 Ca 0.58 1.42 0.00 0.00 -2.03 0.00 0.00 56.10 56.07 1ww4 s TRP 83 Cb -0.14 -3.65 0.00 0.00 0.03 0.00 0.00 33.47 29.71 1ww4 s TRP 83 CO 0.55 -2.29 0.00 1.28 0.96 0.00 0.00 176.95 177.44 1ww4 n LEU 84 N -0.55 0.00 -4.62 2.99 4.77 -0.92 -5.00 117.00 113.67 1ww4 n LEU 84 Ca 0.08 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.63 1ww4 n LEU 84 Cb 0.45 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1ww4 n LEU 84 CO 0.52 0.00 1.41 -0.69 -1.33 0.00 0.00 177.39 177.30 1ww4 s VAL 85 N 1.85 3.64 -0.33 4.08 1.01 -1.26 -4.88 120.40 124.52 1ww4 s VAL 85 Ca 0.00 0.71 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 1ww4 s VAL 85 Cb 0.00 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1ww4 s VAL 85 CO 0.00 -0.33 0.22 -1.83 0.00 0.00 0.00 175.10 173.16 1ww4 s GLU 86 N 4.90 3.53 0.74 2.72 -1.05 -1.26 -4.70 118.70 123.58 1ww4 s GLU 86 Ca 0.73 -0.61 -0.11 0.00 -0.15 0.00 0.00 54.97 54.83 1ww4 s GLU 86 Cb -0.24 -3.74 0.03 0.00 -0.44 0.00 0.00 34.13 29.74 1ww4 s GLU 86 CO 0.31 -0.40 1.10 -0.65 0.95 0.00 0.00 175.26 176.56 1ww4 s GLN 87 N 1.71 2.59 -0.13 -4.83 -1.52 -0.04 -4.88 119.66 112.56 1ww4 s GLN 87 Ca 0.06 0.51 -0.25 0.00 -1.95 0.00 0.00 55.36 53.73 1ww4 s GLN 87 Cb -0.17 -1.99 0.06 0.00 -0.22 0.00 0.00 33.01 30.69 1ww4 s GLN 87 CO 0.10 -1.24 0.62 -0.98 -0.25 0.00 0.00 175.29 173.55 1ww4 s ARG 88 N -5.30 0.88 -0.13 2.91 1.70 -1.26 -1.44 118.95 116.32 1ww4 s ARG 88 Ca 0.59 0.48 0.01 0.00 -0.47 0.00 0.00 55.73 56.34 1ww4 s ARG 88 Cb -0.12 0.42 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 1ww4 s ARG 88 CO 0.52 -0.21 -0.16 0.08 -1.08 0.00 0.00 175.30 174.45 1ww4 s VAL 89 N -0.55 2.75 0.31 4.99 1.01 -0.17 -4.97 120.40 123.77 1ww4 s VAL 89 Ca -0.07 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.93 1ww4 s VAL 89 Cb -0.03 -2.13 -0.09 0.00 0.00 0.00 0.00 36.38 34.13 1ww4 s VAL 89 CO 0.05 0.53 0.85 -0.44 0.00 0.00 0.00 175.10 176.10 1ww4 s SER 90 N 0.41 7.14 -0.03 3.32 0.01 -1.26 -1.35 113.70 121.94 1ww4 s SER 90 Ca -0.12 1.63 -0.03 0.00 1.31 0.00 0.00 55.95 58.74 1ww4 s SER 90 Cb -0.16 -2.50 0.01 0.00 0.21 0.00 0.00 66.02 63.57 1ww4 s SER 90 CO 0.06 -0.09 0.05 -3.20 0.41 0.00 0.00 173.24 170.47 1ww4 n ASN 91 N 0.36 -5.27 0.12 2.44 5.15 -1.01 -4.92 115.26 112.12 1ww4 n ASN 91 Ca 0.01 1.19 -0.05 0.00 -0.60 0.00 0.00 54.58 55.13 1ww4 n ASN 91 Cb 0.51 -3.94 -0.02 0.00 -0.53 0.00 0.00 39.78 35.80 1ww4 n ASN 91 CO 0.00 0.00 0.00 0.58 1.40 0.00 0.00 177.26 179.24 1ww4 h VAL 92 N 2.92 0.00 -1.00 3.44 2.07 -1.86 -3.34 116.25 118.48 1ww4 h VAL 92 Ca -0.12 -0.28 0.36 0.00 0.82 0.00 0.00 66.70 67.48 1ww4 h VAL 92 Cb 0.28 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.87 1ww4 h VAL 92 CO 0.00 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.96 1ww4 h ALA 93 N -1.57 1.81 -0.28 1.67 0.00 -1.96 0.29 119.26 119.22 1ww4 h ALA 93 Ca -0.03 0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1ww4 h ALA 93 Cb 0.25 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1ww4 h ALA 93 CO 0.06 -0.81 0.19 -0.91 0.00 0.00 0.00 179.25 177.78 1ww4 h ASN 94 N 0.02 0.12 0.98 0.00 -0.26 -1.92 -1.49 115.58 113.03 1ww4 h ASN 94 Ca 0.76 -0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 56.37 1ww4 h ASN 94 Cb 1.87 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 39.09 1ww4 h ASN 94 CO -0.82 0.08 -0.61 1.56 -1.06 0.00 0.00 177.43 176.58 1ww4 h GLN 95 N 0.14 0.00 -0.45 0.81 1.08 -0.57 -3.19 115.11 112.94 1ww4 h GLN 95 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1ww4 h GLN 95 Cb 0.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1ww4 h GLN 95 CO -0.02 0.61 0.00 1.19 -0.95 0.00 0.00 178.83 179.66 1ww4 n PHE 96 N -3.48 0.60 -1.97 2.96 3.72 -0.58 -4.83 117.46 113.89 1ww4 n PHE 96 Ca 0.00 -0.30 -0.42 0.00 -0.05 0.00 0.00 57.45 56.68 1ww4 n PHE 96 Cb 0.69 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.20 1ww4 n PHE 96 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1ww4 s ILE 97 N -1.40 3.29 0.00 4.37 1.01 -1.09 -1.99 121.20 125.39 1ww4 s ILE 97 Ca 0.31 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.55 1ww4 s ILE 97 Cb 0.16 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1ww4 s ILE 97 CO 0.21 -0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1ww4 n GLY 98 N 4.04 1.71 0.00 6.18 0.00 -1.26 -5.03 105.19 110.82 1ww4 n GLY 98 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1ww4 n GLY 98 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ww4 n SER 99 N 0.07 0.00 -1.05 1.61 7.64 -0.84 -5.02 113.62 116.02 1ww4 n SER 99 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ww4 n SER 99 Cb 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1ww4 n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ww4 n GLY 100 N 2.78 0.45 2.59 0.23 0.00 -1.26 -4.49 105.19 105.48 1ww4 n GLY 100 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1ww4 n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ww4 n GLY 101 N -0.87 0.58 3.49 -0.02 0.00 -1.26 -4.99 105.19 102.13 1ww4 n GLY 101 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1ww4 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ww4 s LYS 102 N -0.28 1.05 0.10 1.61 -2.85 -1.26 -2.71 119.74 115.40 1ww4 s LYS 102 Ca 0.00 -0.03 -0.08 0.00 -1.00 0.00 0.00 55.97 54.86 1ww4 s LYS 102 Cb 0.00 0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 36.26 1ww4 s LYS 102 CO 0.00 -0.39 0.19 0.00 0.10 0.00 0.00 175.35 175.25 1ww4 s ALA 103 N -2.14 -0.12 -0.08 0.59 0.00 -0.82 -4.71 121.76 114.48 1ww4 s ALA 103 Ca -0.05 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 1ww4 s ALA 103 Cb -0.00 0.55 0.04 0.00 0.00 0.00 0.00 23.12 23.70 1ww4 s ALA 103 CO 0.00 -0.52 0.18 0.00 0.00 0.00 0.00 175.76 175.41 1ww4 s MET 104 N -3.89 0.13 -0.13 0.00 0.23 -1.26 -0.38 119.30 114.01 1ww4 s MET 104 Ca 0.08 0.40 -0.02 0.00 -1.03 0.00 0.00 55.69 55.12 1ww4 s MET 104 Cb 0.05 -0.14 -0.03 0.00 -1.53 0.00 0.00 34.83 33.18 1ww4 s MET 104 CO -0.09 -0.15 -0.06 0.08 -2.03 0.00 0.00 175.02 172.78 1ww4 s VAL 105 N 1.09 3.75 -0.04 5.16 1.01 0.03 0.25 120.40 131.64 1ww4 s VAL 105 Ca -0.08 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1ww4 s VAL 105 Cb -0.10 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 1ww4 s VAL 105 CO -0.06 0.52 -0.22 -0.89 0.00 0.00 0.00 175.10 174.45 1ww4 s THR 106 N 0.06 1.79 -0.19 3.92 2.01 0.18 0.69 115.64 124.10 1ww4 s THR 106 Ca -0.01 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.07 1ww4 s THR 106 Cb -0.14 -1.52 0.03 0.00 0.01 0.00 0.00 72.50 70.88 1ww4 s THR 106 CO 0.03 0.51 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.59 1ww4 s VAL 107 N -0.22 2.06 -0.17 3.82 1.01 0.67 0.50 120.40 128.07 1ww4 s VAL 107 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 1ww4 s VAL 107 Cb -0.12 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1ww4 s VAL 107 CO 0.02 0.45 0.20 -0.36 0.00 0.00 0.00 175.10 175.41 1ww4 s PHE 108 N 1.27 3.46 -0.80 5.22 0.40 -0.07 -1.76 117.98 125.69 1ww4 s PHE 108 Ca 0.03 0.47 -0.15 0.00 -0.60 0.00 0.00 56.93 56.67 1ww4 s PHE 108 Cb -0.14 -2.20 0.19 0.00 0.51 0.00 0.00 43.02 41.37 1ww4 s PHE 108 CO -0.12 0.33 0.80 0.34 0.70 0.00 0.00 175.22 177.28 1ww4 s ASP 109 N 0.20 6.64 -0.11 1.36 3.68 -0.95 -0.83 116.67 126.66 1ww4 s ASP 109 Ca 0.12 -2.40 -0.00 0.00 2.13 0.00 0.00 52.55 52.40 1ww4 s ASP 109 Cb -0.12 -2.25 0.07 0.00 -1.45 0.00 0.00 42.92 39.17 1ww4 s ASP 109 CO 0.01 -0.73 2.04 1.41 0.13 0.00 0.00 175.17 178.03 1ww4 n HIS 110 N 4.74 0.54 0.00 -5.34 8.25 0.85 0.14 115.22 124.41 1ww4 n HIS 110 Ca 0.11 -1.35 0.00 0.00 -0.26 0.00 0.00 57.72 56.23 1ww4 n HIS 110 Cb 0.46 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.89 1ww4 n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ww4 n GLY 111 N 1.12 -0.07 0.87 -1.41 0.00 -1.26 -2.90 105.19 101.54 1ww4 n GLY 111 Ca 0.11 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1ww4 n GLY 111 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ww4 n ASP 112 N 0.56 2.73 -3.86 1.61 5.75 -1.26 -4.92 116.55 117.16 1ww4 n ASP 112 Ca 0.00 -1.91 -0.09 0.00 -0.01 0.00 0.00 54.79 52.78 1ww4 n ASP 112 Cb 0.00 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.02 1ww4 n ASP 112 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ww4 s LYS 113 N -1.99 1.14 -0.16 0.11 1.02 -1.14 -2.96 119.74 115.76 1ww4 s LYS 113 Ca 0.30 -1.01 0.01 0.00 0.02 0.00 0.00 55.97 55.28 1ww4 s LYS 113 Cb 0.20 0.41 0.03 0.00 -0.52 0.00 0.00 37.83 37.95 1ww4 s LYS 113 CO 0.31 -0.43 -0.14 0.71 -0.92 0.00 0.00 175.35 174.88 1ww4 s TYR 114 N -3.91 2.31 -0.24 3.18 2.02 -0.04 -0.10 117.35 120.57 1ww4 s TYR 114 Ca 0.12 -1.37 -0.15 0.00 -0.37 0.00 0.00 57.07 55.30 1ww4 s TYR 114 Cb 0.02 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.89 1ww4 s TYR 114 CO -0.04 -0.71 0.36 -1.14 -1.57 0.00 0.00 175.55 172.45 1ww4 s GLN 115 N 1.44 4.08 -0.20 -0.62 0.74 -0.01 -2.30 119.66 122.78 1ww4 s GLN 115 Ca 0.04 0.06 -0.06 0.00 0.05 0.00 0.00 55.36 55.45 1ww4 s GLN 115 Cb -0.14 -3.60 -0.03 0.00 1.10 0.00 0.00 33.01 30.34 1ww4 s GLN 115 CO -0.10 -0.16 0.03 0.08 -0.55 0.00 0.00 175.29 174.59 1ww4 s VAL 116 N 1.69 4.25 -0.11 1.34 1.01 -0.80 -0.89 120.40 126.88 1ww4 s VAL 116 Ca 0.16 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.96 1ww4 s VAL 116 Cb -0.15 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1ww4 s VAL 116 CO 0.09 0.42 -0.23 -0.69 0.00 0.00 0.00 175.10 174.69 1ww4 s VAL 117 N 0.90 2.05 -0.44 2.92 1.01 0.18 -1.06 120.40 125.96 1ww4 s VAL 117 Ca 0.02 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 1ww4 s VAL 117 Cb -0.14 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.53 1ww4 s VAL 117 CO 0.02 0.55 0.32 -0.63 0.00 0.00 0.00 175.10 175.36 1ww4 s ILE 118 N 0.51 4.61 0.00 2.22 -1.09 0.34 0.47 121.20 128.27 1ww4 s ILE 118 Ca -0.15 -1.30 0.00 0.00 -2.23 0.00 0.00 60.65 56.98 1ww4 s ILE 118 Cb -0.17 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 1ww4 s ILE 118 CO 0.05 -0.55 0.00 0.59 -1.23 0.00 0.00 174.94 173.80 1ww4 n ASN 119 N 5.03 0.00 -0.00 3.58 5.03 0.14 -1.95 115.26 127.09 1ww4 n ASN 119 Ca -0.11 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.37 1ww4 n ASN 119 Cb 0.43 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 39.15 1ww4 n ASN 119 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1ww4 n GLU 120 N 0.00 4.62 -3.14 3.52 1.02 -1.26 -4.91 120.64 120.48 1ww4 n GLU 120 Ca 0.00 -0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1ww4 n GLU 120 Cb 0.00 -0.84 -0.06 0.00 -0.02 0.00 0.00 31.44 30.53 1ww4 n GLU 120 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1ww4 s LYS 121 N -1.67 4.24 0.05 3.49 2.20 -0.82 -5.04 119.74 122.17 1ww4 s LYS 121 Ca 0.03 0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 55.93 1ww4 s LYS 121 Cb 0.05 -3.56 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 1ww4 s LYS 121 CO 0.29 -0.18 1.07 0.99 -0.36 0.00 0.00 175.35 177.17 1ww4 s THR 122 N 1.69 4.43 -0.11 3.43 2.01 -1.26 -0.50 115.64 125.34 1ww4 s THR 122 Ca 0.29 1.79 0.16 0.00 0.31 0.00 0.00 61.69 64.23 1ww4 s THR 122 Cb -0.16 -4.15 -0.23 0.00 0.01 0.00 0.00 72.50 67.97 1ww4 s THR 122 CO 0.11 0.16 0.19 1.33 -0.69 0.00 0.00 174.62 175.73 1ww4 n VAL 123 N 3.69 0.66 -3.55 3.82 0.24 -0.22 -4.93 118.33 118.03 1ww4 n VAL 123 Ca 0.07 -0.58 -0.12 0.00 -2.04 0.00 0.00 64.34 61.67 1ww4 n VAL 123 Cb 0.49 -0.29 -0.05 0.00 -1.47 0.00 0.00 33.84 32.52 1ww4 n VAL 123 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1ww4 s ILE 124 N -2.74 0.00 -0.49 1.34 2.07 -1.23 -4.98 121.20 115.16 1ww4 s ILE 124 Ca -0.07 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.19 1ww4 s ILE 124 Cb 0.08 -1.00 0.49 0.00 0.13 0.00 0.00 42.46 42.16 1ww4 s ILE 124 CO 0.70 0.00 1.73 0.00 -1.91 0.00 0.00 174.94 175.46 1ww4 n GLN 125 N 0.67 2.73 0.00 3.50 1.13 -1.26 -1.91 117.38 122.24 1ww4 n GLN 125 Ca -0.12 -3.46 0.00 0.00 -1.94 0.00 0.00 57.00 51.48 1ww4 n GLN 125 Cb 0.58 -2.20 0.00 0.00 0.11 0.00 0.00 30.24 28.73 1ww4 n GLN 125 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 1ww4 n TYR 126 N -0.93 0.00 -3.57 1.08 9.36 -0.97 -4.43 117.16 117.69 1ww4 n TYR 126 Ca 0.53 0.00 -0.37 0.00 3.32 0.00 0.00 57.90 61.39 1ww4 n TYR 126 Cb 0.93 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.55 1ww4 n TYR 126 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1ww4 s THR 127 N 0.00 5.31 -0.09 2.97 2.01 -1.26 -0.86 115.64 123.72 1ww4 s THR 127 Ca 0.00 0.37 -0.30 0.00 0.31 0.00 0.00 61.69 62.07 1ww4 s THR 127 Cb 0.00 -3.58 -0.08 0.00 0.01 0.00 0.00 72.50 68.85 1ww4 s THR 127 CO 0.00 0.33 2.07 0.29 -0.69 0.00 0.00 174.62 176.62 1ww4 n LYS 128 N 4.23 2.36 0.09 4.92 5.02 -1.15 -4.83 118.16 128.79 1ww4 n LYS 128 Ca -0.13 0.79 -0.02 0.00 -2.02 0.00 0.00 58.31 56.93 1ww4 n LYS 128 Cb 0.52 -3.04 -0.05 0.00 -0.02 0.00 0.00 35.03 32.44 1ww4 n LYS 128 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1ww4 h GLN 129 N 12.29 0.00 -5.19 1.97 4.20 -1.93 -3.44 115.11 123.01 1ww4 h GLN 129 Ca -0.45 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 57.81 1ww4 h GLN 129 Cb 1.25 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.75 1ww4 h GLN 129 CO 0.95 0.63 -0.80 0.42 -0.67 0.00 0.00 178.83 179.36 1ww4 s ILE 130 N -2.85 1.03 0.37 2.54 1.01 -1.26 -5.08 121.20 116.96 1ww4 s ILE 130 Ca 0.01 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 60.03 1ww4 s ILE 130 Cb 0.09 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 1ww4 s ILE 130 CO 0.78 0.17 0.17 -0.44 0.00 0.00 0.00 174.94 175.62 1ww4 s SER 131 N -0.62 4.60 0.00 3.58 0.01 -1.26 -4.93 113.70 115.08 1ww4 s SER 131 Ca 0.03 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1ww4 s SER 131 Cb -0.06 -0.62 0.00 0.00 0.21 0.00 0.00 66.02 65.55 1ww4 s SER 131 CO 0.00 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.85 1ww4 n GLY 132 N -1.20 1.02 3.88 3.44 0.00 -1.26 -5.07 105.19 106.00 1ww4 n GLY 132 Ca -0.02 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.67 1ww4 n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ww4 s THR 133 N -1.04 5.44 -0.08 2.61 -4.23 -1.26 -4.90 115.64 112.18 1ww4 s THR 133 Ca 0.00 0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 60.45 1ww4 s THR 133 Cb 0.00 -3.46 -0.02 0.00 1.34 0.00 0.00 72.50 70.37 1ww4 s THR 133 CO 0.00 0.57 1.04 -0.89 -0.54 0.00 0.00 174.62 174.80 1ww4 s THR 134 N -1.08 4.69 -0.19 3.99 2.01 -0.23 -4.25 115.64 120.57 1ww4 s THR 134 Ca 0.18 1.95 0.03 0.00 0.31 0.00 0.00 61.69 64.16 1ww4 s THR 134 Cb -0.13 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.11 1ww4 s THR 134 CO 0.07 0.02 0.23 -1.54 -0.69 0.00 0.00 174.62 172.72 1ww4 n SER 135 N 4.88 0.41 -3.45 3.53 3.41 -0.63 -0.82 113.62 120.95 1ww4 n SER 135 Ca 0.09 -0.70 -0.13 0.00 -0.26 0.00 0.00 58.87 57.86 1ww4 n SER 135 Cb 0.48 0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 65.16 1ww4 n SER 135 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1ww4 s SER 136 N -1.01 -0.58 0.03 4.04 1.04 -1.04 -1.44 113.70 114.74 1ww4 s SER 136 Ca 0.02 0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.64 1ww4 s SER 136 Cb 0.02 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 1ww4 s SER 136 CO 0.09 -0.86 -0.08 -0.76 0.98 0.00 0.00 173.24 172.61 1ww4 s LEU 137 N -2.37 2.17 0.05 2.42 1.43 -0.90 -0.71 118.68 120.77 1ww4 s LEU 137 Ca -0.02 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 52.75 1ww4 s LEU 137 Cb -0.01 -0.26 -0.02 0.00 0.03 0.00 0.00 46.19 45.92 1ww4 s LEU 137 CO -0.07 -0.08 -0.16 -0.94 0.23 0.00 0.00 176.35 175.32 1ww4 s SER 138 N -1.06 1.86 -0.33 2.29 1.04 -0.85 -0.91 113.70 115.75 1ww4 s SER 138 Ca -0.04 -0.51 0.02 0.00 0.48 0.00 0.00 55.95 55.89 1ww4 s SER 138 Cb -0.07 -0.11 0.10 0.00 0.10 0.00 0.00 66.02 66.03 1ww4 s SER 138 CO 0.00 0.04 0.06 -0.47 0.98 0.00 0.00 173.24 173.85 1ww4 s TYR 139 N -0.94 3.00 0.09 5.02 5.04 -0.74 -1.42 117.35 127.40 1ww4 s TYR 139 Ca 0.02 -2.53 0.02 0.00 -2.44 0.00 0.00 57.07 52.14 1ww4 s TYR 139 Cb -0.09 -2.47 -0.04 0.00 0.35 0.00 0.00 41.96 39.72 1ww4 s TYR 139 CO 0.02 -0.92 0.16 -0.80 -1.34 0.00 0.00 175.55 172.66 1ww4 s ASN 140 N 1.17 5.94 0.12 4.32 0.02 -0.47 0.95 114.94 126.99 1ww4 s ASN 140 Ca 0.10 0.11 -0.04 0.00 -1.02 0.00 0.00 52.86 52.01 1ww4 s ASN 140 Cb -0.18 -1.71 -0.03 0.00 0.02 0.00 0.00 41.25 39.34 1ww4 s ASN 140 CO -0.14 0.15 0.12 -0.44 0.02 0.00 0.00 177.10 176.80 1ww4 s SER 141 N -2.58 0.25 -0.23 -1.22 0.01 -1.26 -1.12 113.70 107.55 1ww4 s SER 141 Ca 0.32 -1.02 -0.12 0.00 1.31 0.00 0.00 55.95 56.44 1ww4 s SER 141 Cb -0.12 0.32 -0.05 0.00 0.21 0.00 0.00 66.02 66.38 1ww4 s SER 141 CO 0.25 -0.75 0.23 -0.89 0.41 0.00 0.00 173.24 172.50 1ww4 s THR 142 N -3.98 5.31 -0.15 1.44 2.01 -1.11 -4.95 115.64 114.21 1ww4 s THR 142 Ca 0.17 0.34 -0.14 0.00 0.31 0.00 0.00 61.69 62.38 1ww4 s THR 142 Cb 0.06 -3.57 -0.06 0.00 0.01 0.00 0.00 72.50 68.94 1ww4 s THR 142 CO -0.02 0.31 0.55 1.21 -0.69 0.00 0.00 174.62 175.98 1ww4 n GLU 143 N 4.39 0.00 -0.87 4.92 2.13 -1.26 -0.87 120.64 129.08 1ww4 n GLU 143 Ca -0.13 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.68 1ww4 n GLU 143 Cb 0.52 -0.45 -0.00 0.00 0.27 0.00 0.00 31.44 31.77 1ww4 n GLU 143 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ww4 n GLY 144 N 1.67 0.10 1.34 8.31 0.00 -1.26 -4.80 105.19 110.56 1ww4 n GLY 144 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1ww4 n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ww4 n THR 145 N -1.68 1.71 -2.81 2.61 -2.24 -0.04 -4.92 114.28 106.90 1ww4 n THR 145 Ca -0.01 -2.95 -0.34 0.00 -2.27 0.00 0.00 64.05 58.48 1ww4 n THR 145 Cb 0.42 -0.02 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 1ww4 n THR 145 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ww4 s SER 146 N -3.12 7.04 0.00 3.42 0.15 -1.25 -4.60 113.70 115.35 1ww4 s SER 146 Ca 0.39 1.73 0.27 0.00 0.70 0.00 0.00 55.95 59.03 1ww4 s SER 146 Cb 0.38 -2.55 0.82 0.00 -1.71 0.00 0.00 66.02 62.96 1ww4 s SER 146 CO -0.06 -0.28 1.61 2.30 1.20 0.00 0.00 173.24 178.01 1ww4 n ILE 147 N -0.32 0.00 -4.30 6.45 -5.35 -1.26 -4.70 119.36 109.88 1ww4 n ILE 147 Ca 0.06 -0.06 -0.25 0.00 -0.27 0.00 0.00 62.75 62.23 1ww4 n ILE 147 Cb 0.53 0.17 -0.08 0.00 -1.74 0.00 0.00 39.64 38.51 1ww4 n ILE 147 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1ww4 s PHE 148 N -2.70 2.57 0.94 4.28 0.08 -1.26 -2.02 117.98 119.87 1ww4 s PHE 148 Ca 0.20 -0.49 -0.10 0.00 0.12 0.00 0.00 56.93 56.66 1ww4 s PHE 148 Cb 0.19 -1.63 0.16 0.00 -0.57 0.00 0.00 43.02 41.17 1ww4 s PHE 148 CO 0.57 0.40 1.14 -1.54 -0.10 0.00 0.00 175.22 175.68 1ww4 s SER 149 N -3.77 2.75 0.53 1.36 1.04 -1.26 -4.88 113.70 109.48 1ww4 s SER 149 Ca 0.36 2.13 0.25 0.00 0.48 0.00 0.00 55.95 59.17 1ww4 s SER 149 Cb 0.02 -2.55 1.49 0.00 0.10 0.00 0.00 66.02 65.08 1ww4 s SER 149 CO 0.20 -3.20 2.14 0.71 0.98 0.00 0.00 173.24 174.06 1ww4 h THR 150 N -1.94 0.70 -3.59 2.02 1.35 -1.98 -3.40 112.91 106.08 1ww4 h THR 150 Ca -0.45 -0.29 -0.68 0.00 -0.55 0.00 0.00 66.41 64.44 1ww4 h THR 150 Cb 1.27 1.18 -0.32 0.00 -1.73 0.00 0.00 68.15 68.55 1ww4 h THR 150 CO 0.42 0.07 -0.88 -0.69 -0.25 0.00 0.00 175.52 174.20 1ww4 s VAL 151 N -4.54 2.10 -0.09 6.82 1.01 -1.26 -1.08 120.40 123.36 1ww4 s VAL 151 Ca -0.04 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.94 1ww4 s VAL 151 Cb 0.15 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1ww4 s VAL 151 CO 0.60 0.56 -0.18 -0.69 0.00 0.00 0.00 175.10 175.39 1ww4 s VAL 152 N 0.15 2.62 -0.02 2.92 1.01 -0.09 -4.65 120.40 122.33 1ww4 s VAL 152 Ca -0.13 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 1ww4 s VAL 152 Cb -0.16 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1ww4 s VAL 152 CO 0.07 0.55 0.47 -1.61 0.00 0.00 0.00 175.10 174.59 1ww4 s GLU 153 N 0.04 4.12 -0.09 2.72 2.02 -0.37 -0.30 118.70 126.84 1ww4 s GLU 153 Ca -0.07 0.51 0.03 0.00 0.02 0.00 0.00 54.97 55.46 1ww4 s GLU 153 Cb -0.15 -3.29 0.01 0.00 0.10 0.00 0.00 34.13 30.80 1ww4 s GLU 153 CO 0.05 0.51 -0.19 0.00 0.02 0.00 0.00 175.26 175.65 1ww4 s ALA 154 N -0.56 1.83 -0.12 5.21 0.00 0.65 0.22 121.76 128.99 1ww4 s ALA 154 Ca 0.26 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.47 1ww4 s ALA 154 Cb -0.17 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 1ww4 s ALA 154 CO 0.14 0.16 -0.19 0.08 0.00 0.00 0.00 175.76 175.94 1ww4 s VAL 155 N 0.57 2.42 -0.01 0.00 1.01 -0.74 -0.24 120.40 123.40 1ww4 s VAL 155 Ca -0.15 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.00 1ww4 s VAL 155 Cb -0.17 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1ww4 s VAL 155 CO 0.05 0.54 -0.14 0.42 0.00 0.00 0.00 175.10 175.97 1ww4 s THR 156 N 0.50 3.10 -0.28 3.92 -4.23 0.10 -0.89 115.64 117.87 1ww4 s THR 156 Ca -0.13 -0.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.55 1ww4 s THR 156 Cb -0.17 -2.27 0.07 0.00 1.34 0.00 0.00 72.50 71.47 1ww4 s THR 156 CO 0.05 0.48 -0.06 -0.31 -0.54 0.00 0.00 174.62 174.24 1ww4 s TYR 157 N -0.84 3.28 0.29 3.99 2.02 0.27 -1.63 117.35 124.73 1ww4 s TYR 157 Ca 0.14 -2.43 0.09 0.00 -0.37 0.00 0.00 57.07 54.49 1ww4 s TYR 157 Cb -0.11 -2.15 -0.06 0.00 -0.40 0.00 0.00 41.96 39.25 1ww4 s TYR 157 CO 0.03 -0.89 -0.11 0.95 -1.57 0.00 0.00 175.55 173.97 1ww4 s THR 158 N 1.09 2.02 0.00 -0.71 -4.23 -0.73 -0.75 115.64 112.33 1ww4 s THR 158 Ca -0.03 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.26 1ww4 s THR 158 Cb -0.20 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1ww4 s THR 158 CO -0.06 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1ww4 n GLY 159 N -0.64 0.63 0.00 3.99 0.00 -1.26 -0.47 105.19 107.43 1ww4 n GLY 159 Ca -0.05 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1ww4 n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ww4 n LEU 160 N 0.00 0.53 0.00 0.99 4.77 -1.26 -4.05 117.00 117.98 1ww4 n LEU 160 Ca 0.00 0.25 0.03 0.00 -0.03 0.00 0.00 56.01 56.26 1ww4 n LEU 160 Cb 0.00 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.26 1ww4 n LEU 160 CO 0.00 0.00 0.41 0.00 -1.33 0.00 0.00 177.39 176.47