#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmx n TYR 5 N 0.00 0.00 0.95 1.61 4.11 -1.26 -2.77 117.16 119.80 1wmx n TYR 5 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.90 58.00 1wmx n TYR 5 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.30 1wmx n TYR 5 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1wmx n ARG 6 N -0.93 1.00 -0.04 -3.48 1.74 -1.26 -2.98 116.66 110.71 1wmx n ARG 6 Ca 0.16 -0.68 0.06 0.00 -0.77 0.00 0.00 57.85 56.61 1wmx n ARG 6 Cb 0.07 -1.45 0.07 0.00 -1.02 0.00 0.00 32.46 30.13 1wmx n ARG 6 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1wmx n LYS 7 N -0.47 1.05 -2.39 5.56 5.02 -1.12 -4.97 118.16 120.85 1wmx n LYS 7 Ca 0.07 -1.36 -0.41 0.00 -2.02 0.00 0.00 58.31 54.59 1wmx n LYS 7 Cb 0.41 -1.23 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 1wmx n LYS 7 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wmx s LEU 8 N -0.96 4.44 0.55 -0.35 2.01 -1.16 -5.01 118.68 118.19 1wmx s LEU 8 Ca 0.15 2.18 -0.15 0.00 0.01 0.00 0.00 54.13 56.33 1wmx s LEU 8 Cb 0.10 -3.60 -0.07 0.00 0.01 0.00 0.00 46.19 42.63 1wmx s LEU 8 CO 0.15 -0.38 1.00 -0.76 1.01 0.00 0.00 176.35 177.36 1wmx s LEU 9 N 0.02 3.51 0.56 1.79 2.01 -1.26 -4.72 118.68 120.59 1wmx s LEU 9 Ca 0.54 1.54 -0.19 0.00 0.01 0.00 0.00 54.13 56.03 1wmx s LEU 9 Cb -0.32 -4.50 -0.05 0.00 0.01 0.00 0.00 46.19 41.33 1wmx s LEU 9 CO 0.35 -0.70 1.14 -1.81 1.01 0.00 0.00 176.35 176.34 1wmx s ASP 10 N -3.35 5.59 -0.37 2.29 -0.00 -1.26 -4.82 116.67 114.75 1wmx s ASP 10 Ca 0.58 2.20 -0.07 0.00 -0.00 0.00 0.00 52.55 55.26 1wmx s ASP 10 Cb -0.11 -2.58 0.06 0.00 -0.00 0.00 0.00 42.92 40.29 1wmx s ASP 10 CO 0.38 -1.31 0.17 -0.69 -0.00 0.00 0.00 175.17 173.71 1wmx s VAL 11 N -1.78 3.89 -0.12 -1.27 1.01 -0.16 -4.93 120.40 117.03 1wmx s VAL 11 Ca 0.73 -1.31 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 1wmx s VAL 11 Cb -0.25 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1wmx s VAL 11 CO 0.29 -0.34 0.77 -1.58 0.00 0.00 0.00 175.10 174.24 1wmx s GLN 12 N 1.38 4.35 -0.26 2.72 2.00 -1.26 0.38 119.66 128.98 1wmx s GLN 12 Ca 0.01 0.95 0.02 0.00 -2.00 0.00 0.00 55.36 54.34 1wmx s GLN 12 Cb -0.21 -3.52 -0.17 0.00 0.80 0.00 0.00 33.01 29.91 1wmx s GLN 12 CO 0.02 -0.16 -0.23 -0.89 -0.50 0.00 0.00 175.29 173.53 1wmx n ILE 13 N 4.34 1.48 -3.80 -2.34 5.41 0.13 -4.97 119.36 119.62 1wmx n ILE 13 Ca 0.02 -0.57 -0.13 0.00 1.00 0.00 0.00 62.75 63.08 1wmx n ILE 13 Cb 0.50 -1.41 -0.13 0.00 -0.71 0.00 0.00 39.64 37.89 1wmx n ILE 13 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 1wmx s PHE 14 N -2.52 -0.20 0.16 1.39 5.36 -0.79 -4.93 117.98 116.46 1wmx s PHE 14 Ca -0.35 0.49 0.00 0.00 -0.96 0.00 0.00 56.93 56.11 1wmx s PHE 14 Cb 0.09 0.04 0.00 0.00 -0.34 0.00 0.00 43.02 42.81 1wmx s PHE 14 CO 0.60 -0.11 0.00 1.17 -1.46 0.00 0.00 175.22 175.41 1wmx n LYS 15 N 3.24 0.00 0.00 10.12 4.81 -1.26 -1.81 118.16 133.26 1wmx n LYS 15 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 1wmx n LYS 15 Cb 0.57 -0.09 0.00 0.00 0.02 0.00 0.00 35.03 35.53 1wmx n LYS 15 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1wmx n ASP 16 N -3.17 0.00 -4.25 3.14 3.85 -1.26 -4.59 116.55 110.27 1wmx n ASP 16 Ca 0.00 -0.61 -0.14 0.00 -0.71 0.00 0.00 54.79 53.33 1wmx n ASP 16 Cb 0.00 0.00 -0.10 0.00 -1.35 0.00 0.00 41.12 39.67 1wmx n ASP 16 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1wmx s SER 17 N 0.00 1.46 0.12 -1.12 1.04 -1.26 -4.75 113.70 109.19 1wmx s SER 17 Ca 0.00 -1.12 -0.35 0.00 0.48 0.00 0.00 55.95 54.96 1wmx s SER 17 Cb 0.00 0.06 -0.17 0.00 0.10 0.00 0.00 66.02 66.02 1wmx s SER 17 CO 0.00 -0.49 1.17 -2.65 0.98 0.00 0.00 173.24 172.25 1wmx n PRO 18 N -0.24 0.92 -3.84 4.02 -0.02 -1.26 -4.95 135.00 129.63 1wmx n PRO 18 Ca -0.08 0.33 -0.36 0.00 -2.02 0.00 0.00 63.50 61.38 1wmx n PRO 18 Cb 0.62 -1.85 -0.08 0.00 -0.02 0.00 0.00 33.50 32.18 1wmx n PRO 18 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wmx s VAL 19 N 0.00 5.31 0.16 -1.45 1.01 -1.26 -5.06 120.40 119.11 1wmx s VAL 19 Ca 0.79 0.15 -0.31 0.00 0.00 0.00 0.00 61.98 62.61 1wmx s VAL 19 Cb -0.95 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 31.96 1wmx s VAL 19 CO 0.51 0.51 1.43 -0.69 0.00 0.00 0.00 175.10 176.86 1wmx s VAL 20 N -0.12 3.00 -3.63 2.92 1.01 -1.26 -4.74 120.40 117.59 1wmx s VAL 20 Ca 0.10 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1wmx s VAL 20 Cb -0.12 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1wmx s VAL 20 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1wmx n GLY 21 N 3.17 -0.56 3.17 4.51 0.00 -1.26 -2.12 105.19 112.10 1wmx n GLY 21 Ca 0.10 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 1wmx n GLY 21 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1wmx s TRP 22 N -3.65 -0.49 0.01 1.61 -0.00 -0.84 -4.71 118.94 110.88 1wmx s TRP 22 Ca 0.00 1.08 0.05 0.00 -0.00 0.00 0.00 56.10 57.23 1wmx s TRP 22 Cb 0.00 0.16 -0.02 0.00 -0.00 0.00 0.00 33.47 33.62 1wmx s TRP 22 CO 0.00 -0.31 -0.15 -1.12 -0.00 0.00 0.00 176.95 175.37 1wmx s SER 23 N 1.46 1.79 0.12 5.86 0.01 0.03 -0.19 113.70 122.77 1wmx s SER 23 Ca -0.09 -0.36 -0.20 0.00 1.31 0.00 0.00 55.95 56.62 1wmx s SER 23 Cb -0.10 -0.17 0.07 0.00 0.21 0.00 0.00 66.02 66.04 1wmx s SER 23 CO -0.11 0.13 0.94 0.61 0.41 0.00 0.00 173.24 175.23 1wmx n GLY 24 N 2.36 0.59 3.74 3.44 0.00 -0.03 -4.48 105.19 110.81 1wmx n GLY 24 Ca -0.16 -1.09 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 1wmx n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wmx s SER 25 N -3.19 -0.33 0.32 1.61 1.04 -1.26 -0.75 113.70 111.13 1wmx s SER 25 Ca 0.21 -0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.26 1wmx s SER 25 Cb -0.02 0.67 0.54 0.00 0.10 0.00 0.00 66.02 67.31 1wmx s SER 25 CO 0.03 -1.21 1.79 1.23 0.98 0.00 0.00 173.24 176.07 1wmx h GLY 26 N 2.00 0.44 -0.33 7.32 0.00 -1.84 -3.29 103.07 107.37 1wmx h GLY 26 Ca -0.23 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1wmx h GLY 26 CO 0.27 0.30 -0.16 1.03 0.00 0.00 0.00 176.54 177.97 1wmx n MET 27 N -4.17 0.94 -2.19 4.80 2.81 -1.26 -4.99 117.12 113.06 1wmx n MET 27 Ca -0.00 -1.86 -0.05 0.00 -1.81 0.00 0.00 57.70 53.98 1wmx n MET 27 Cb 0.35 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 31.79 1wmx n MET 27 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wmx n GLY 28 N -0.81 0.23 0.24 3.03 0.00 -1.24 -4.95 105.19 101.69 1wmx n GLY 28 Ca 0.09 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 1wmx n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wmx h GLU 29 N -0.10 0.80 -6.41 1.61 3.07 -1.91 -3.43 114.58 108.21 1wmx h GLU 29 Ca -0.12 -0.37 -0.54 0.00 -0.50 0.00 0.00 59.36 57.83 1wmx h GLU 29 Cb 1.09 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.97 1wmx h GLU 29 CO 0.14 1.00 0.51 -1.17 -1.40 0.00 0.00 179.01 178.08 1wmx s LEU 30 N -9.08 4.35 -0.01 1.33 2.96 -1.26 -1.70 118.68 115.27 1wmx s LEU 30 Ca -0.12 1.82 -0.30 0.00 -0.22 0.00 0.00 54.13 55.31 1wmx s LEU 30 Cb 0.10 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.17 1wmx s LEU 30 CO 0.84 -0.41 1.25 -0.70 -1.32 0.00 0.00 176.35 176.01 1wmx s GLU 31 N 1.28 4.36 0.19 1.98 2.12 0.16 -4.86 118.70 123.94 1wmx s GLU 31 Ca 0.55 1.77 -0.06 0.00 0.36 0.00 0.00 54.97 57.60 1wmx s GLU 31 Cb -0.25 -3.49 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 1wmx s GLU 31 CO 0.27 -0.42 0.24 0.95 -0.54 0.00 0.00 175.26 175.76 1wmx s THR 32 N 1.88 0.03 -0.16 -1.70 -4.23 -1.26 -4.58 115.64 105.62 1wmx s THR 32 Ca 0.59 -1.70 -0.08 0.00 -1.18 0.00 0.00 61.69 59.32 1wmx s THR 32 Cb -0.28 -2.21 0.06 0.00 1.34 0.00 0.00 72.50 71.42 1wmx s THR 32 CO 0.25 -0.14 0.37 -0.51 -0.54 0.00 0.00 174.62 174.05 1wmx s ILE 33 N -4.06 -0.22 -1.70 2.99 2.07 -0.46 -4.83 121.20 114.99 1wmx s ILE 33 Ca 0.28 0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.66 1wmx s ILE 33 Cb 0.04 -0.57 0.00 0.00 0.13 0.00 0.00 42.46 42.06 1wmx s ILE 33 CO 0.07 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.77 1wmx n GLY 34 N 4.64 -0.12 2.56 1.50 0.00 -1.26 -1.70 105.19 110.82 1wmx n GLY 34 Ca -0.18 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 1wmx n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wmx n ASP 35 N -1.59 -6.00 -3.71 1.61 8.00 -1.26 -4.99 116.55 108.60 1wmx n ASP 35 Ca -0.22 -0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.05 1wmx n ASP 35 Cb 0.67 -4.95 -0.07 0.00 -0.02 0.00 0.00 41.12 36.75 1wmx n ASP 35 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1wmx s THR 36 N -3.08 0.00 0.28 -3.53 -1.32 -0.69 -0.79 115.64 106.51 1wmx s THR 36 Ca 0.08 -1.71 -0.29 0.00 -1.21 0.00 0.00 61.69 58.55 1wmx s THR 36 Cb -0.04 -2.47 -0.10 0.00 -1.51 0.00 0.00 72.50 68.38 1wmx s THR 36 CO 0.10 0.00 1.32 -0.76 -2.21 0.00 0.00 174.62 173.07 1wmx s LEU 37 N -3.18 4.43 0.47 9.08 1.02 -1.26 -1.35 118.68 127.88 1wmx s LEU 37 Ca 0.32 2.59 -0.21 0.00 0.02 0.00 0.00 54.13 56.86 1wmx s LEU 37 Cb 0.02 -3.63 -0.09 0.00 0.02 0.00 0.00 46.19 42.50 1wmx s LEU 37 CO 0.16 -0.54 1.01 -2.16 0.02 0.00 0.00 176.35 174.85 1wmx s PRO 38 N -1.12 3.94 -0.29 1.29 0.04 -1.26 -4.71 135.00 132.90 1wmx s PRO 38 Ca 0.52 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1wmx s PRO 38 Cb -0.39 -2.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.97 1wmx s PRO 38 CO 0.47 -0.30 0.20 0.08 0.04 0.00 0.00 177.00 177.49 1wmx s VAL 39 N -2.03 5.30 -0.25 -0.36 1.01 -1.26 -2.10 120.40 120.71 1wmx s VAL 39 Ca 0.65 0.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.49 1wmx s VAL 39 Cb -0.14 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.68 1wmx s VAL 39 CO 0.18 0.21 0.87 -0.62 0.00 0.00 0.00 175.10 175.74 1wmx s ASP 40 N 1.75 6.86 0.00 3.32 3.68 0.67 -4.90 116.67 128.05 1wmx s ASP 40 Ca 0.07 1.05 0.22 0.00 2.13 0.00 0.00 52.55 56.02 1wmx s ASP 40 Cb -0.16 -2.45 -0.00 0.00 -1.45 0.00 0.00 42.92 38.85 1wmx s ASP 40 CO 0.11 -0.56 1.08 1.07 0.13 0.00 0.00 175.17 176.99 1wmx n THR 41 N 5.32 0.00 -0.10 1.71 5.66 -1.26 -1.28 114.28 124.33 1wmx n THR 41 Ca 0.07 -0.17 -0.24 0.00 -3.05 0.00 0.00 64.05 60.66 1wmx n THR 41 Cb 0.47 1.09 -0.12 0.00 -1.55 0.00 0.00 70.33 70.23 1wmx n THR 41 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1wmx n THR 42 N -0.53 1.57 -3.08 1.09 -2.24 -1.26 -4.76 114.28 105.08 1wmx n THR 42 Ca 0.08 -0.32 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1wmx n THR 42 Cb 0.42 -1.86 -0.06 0.00 -2.10 0.00 0.00 70.33 66.72 1wmx n THR 42 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1wmx s VAL 43 N -2.46 4.88 0.37 2.28 -7.23 -1.26 -5.02 120.40 111.95 1wmx s VAL 43 Ca -0.32 0.79 0.07 0.00 -1.81 0.00 0.00 61.98 60.71 1wmx s VAL 43 Cb 0.09 -4.07 -0.07 0.00 0.56 0.00 0.00 36.38 32.89 1wmx s VAL 43 CO 0.59 -0.26 -0.01 0.42 -0.31 0.00 0.00 175.10 175.54 1wmx s THR 44 N 2.75 1.86 -0.05 5.32 -4.23 -1.26 -3.45 115.64 116.57 1wmx s THR 44 Ca 0.26 -2.05 -0.02 0.00 -1.18 0.00 0.00 61.69 58.70 1wmx s THR 44 Cb -0.14 -2.84 0.04 0.00 1.34 0.00 0.00 72.50 70.89 1wmx s THR 44 CO 0.14 -0.07 0.09 -0.47 -0.54 0.00 0.00 174.62 173.77 1wmx s TYR 45 N -2.83 -0.04 -1.48 3.99 5.04 0.13 -4.79 117.35 117.37 1wmx s TYR 45 Ca 0.34 0.37 -0.07 0.00 -2.44 0.00 0.00 57.07 55.27 1wmx s TYR 45 Cb 0.08 -0.35 0.02 0.00 0.35 0.00 0.00 41.96 42.06 1wmx s TYR 45 CO 0.17 -0.20 0.75 0.09 -1.34 0.00 0.00 175.55 175.02 1wmx n ASN 46 N 5.07 -5.80 0.00 4.32 3.02 -1.26 -1.02 115.26 119.59 1wmx n ASN 46 Ca -0.09 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.07 1wmx n ASN 46 Cb 0.50 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 35.01 1wmx n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wmx n GLY 47 N -1.60 2.32 3.87 7.41 0.00 -1.26 -4.99 105.19 110.94 1wmx n GLY 47 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1wmx n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wmx s LEU 48 N 0.00 4.21 0.80 0.99 1.43 -0.19 -5.01 118.68 120.92 1wmx s LEU 48 Ca 0.00 0.88 -0.10 0.00 -1.03 0.00 0.00 54.13 53.87 1wmx s LEU 48 Cb 0.00 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.76 1wmx s LEU 48 CO 0.00 -0.02 1.10 -2.16 0.23 0.00 0.00 176.35 175.50 1wmx s PRO 49 N -2.64 2.05 0.39 1.29 0.04 -1.26 -0.69 135.00 134.17 1wmx s PRO 49 Ca 0.44 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.79 1wmx s PRO 49 Cb -0.12 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 1wmx s PRO 49 CO 0.21 -1.81 0.12 0.95 0.04 0.00 0.00 177.00 176.52 1wmx s THR 50 N -2.86 2.37 -0.28 1.26 -4.23 -0.40 -4.69 115.64 106.80 1wmx s THR 50 Ca 0.62 -1.79 -0.11 0.00 -1.18 0.00 0.00 61.69 59.23 1wmx s THR 50 Cb -0.18 -2.96 -0.05 0.00 1.34 0.00 0.00 72.50 70.65 1wmx s THR 50 CO 0.56 -0.05 0.20 -0.22 -0.54 0.00 0.00 174.62 174.57 1wmx s LEU 51 N -3.84 4.03 -0.27 4.79 2.96 -0.33 -0.24 118.68 125.78 1wmx s LEU 51 Ca 0.39 -0.01 -0.15 0.00 -0.22 0.00 0.00 54.13 54.14 1wmx s LEU 51 Cb 0.04 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 1wmx s LEU 51 CO 0.21 -0.06 0.40 -0.60 -1.32 0.00 0.00 176.35 174.98 1wmx s ARG 52 N 1.77 4.00 -0.52 1.98 3.52 -0.89 -0.22 118.95 128.60 1wmx s ARG 52 Ca 0.07 0.07 -0.12 0.00 -0.13 0.00 0.00 55.73 55.62 1wmx s ARG 52 Cb -0.16 -3.66 0.13 0.00 -1.56 0.00 0.00 34.95 29.70 1wmx s ARG 52 CO 0.11 -0.30 0.42 -1.17 -0.81 0.00 0.00 175.30 173.55 1wmx s LEU 53 N 2.11 5.91 -0.32 -0.88 2.96 -0.70 -4.14 118.68 123.62 1wmx s LEU 53 Ca 0.16 -1.95 0.02 0.00 -0.22 0.00 0.00 54.13 52.14 1wmx s LEU 53 Cb -0.16 -2.08 0.09 0.00 0.50 0.00 0.00 46.19 44.53 1wmx s LEU 53 CO 0.10 -0.73 0.02 0.21 -1.32 0.00 0.00 176.35 174.63 1wmx s ASN 54 N 2.89 4.75 -0.58 3.68 3.04 -1.26 -2.28 114.94 125.18 1wmx s ASN 54 Ca 0.06 -1.86 -0.19 0.00 0.04 0.00 0.00 52.86 50.91 1wmx s ASN 54 Cb -0.26 -1.64 0.10 0.00 -1.54 0.00 0.00 41.25 37.91 1wmx s ASN 54 CO -0.00 -0.34 0.68 -0.69 -3.04 0.00 0.00 177.10 173.71 1wmx s VAL 55 N 1.01 4.85 0.16 -5.21 1.01 0.32 0.37 120.40 122.92 1wmx s VAL 55 Ca 0.04 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1wmx s VAL 55 Cb -0.20 -4.46 -0.16 0.00 0.00 0.00 0.00 36.38 31.56 1wmx s VAL 55 CO -0.06 -1.08 1.37 0.06 0.00 0.00 0.00 175.10 175.39 1wmx h GLN 56 N 9.15 0.11 -5.66 2.72 3.07 -1.56 0.97 115.11 123.92 1wmx h GLN 56 Ca -0.29 -0.14 -0.51 0.00 0.09 0.00 0.00 58.65 57.80 1wmx h GLN 56 Cb 1.09 0.04 -0.14 0.00 0.08 0.00 0.00 27.48 28.55 1wmx h GLN 56 CO 1.09 0.93 -0.70 0.95 0.09 0.00 0.00 178.83 181.19 1wmx s THR 57 N -3.09 1.84 0.21 1.86 -4.23 -1.26 -4.89 115.64 106.08 1wmx s THR 57 Ca -0.02 -2.19 -0.32 0.00 -1.18 0.00 0.00 61.69 57.98 1wmx s THR 57 Cb 0.10 -2.35 -0.12 0.00 1.34 0.00 0.00 72.50 71.47 1wmx s THR 57 CO 0.82 -0.38 1.68 1.07 -0.54 0.00 0.00 174.62 177.28 1wmx n THR 58 N -0.56 0.13 -2.49 3.99 5.66 -1.26 -4.40 114.28 115.35 1wmx n THR 58 Ca -0.06 -0.03 -0.41 0.00 -3.05 0.00 0.00 64.05 60.50 1wmx n THR 58 Cb 0.62 -1.91 -0.03 0.00 -1.55 0.00 0.00 70.33 67.46 1wmx n THR 58 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1wmx s VAL 59 N 0.98 3.68 -0.24 1.08 1.01 -0.13 -4.80 120.40 121.99 1wmx s VAL 59 Ca 0.74 0.39 0.19 0.00 0.00 0.00 0.00 61.98 63.30 1wmx s VAL 59 Cb -0.53 -4.81 0.48 0.00 0.00 0.00 0.00 36.38 31.53 1wmx s VAL 59 CO 0.35 -1.75 1.14 0.00 0.00 0.00 0.00 175.10 174.85 1wmx n GLN 60 N 9.35 2.03 0.01 2.72 10.64 -1.26 -4.33 117.38 136.54 1wmx n GLN 60 Ca 0.05 -3.52 0.11 0.00 -1.83 0.00 0.00 57.00 51.81 1wmx n GLN 60 Cb 0.49 -1.62 -0.05 0.00 -0.86 0.00 0.00 30.24 28.20 1wmx n GLN 60 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1wmx n SER 61 N -0.54 0.62 0.00 2.61 3.41 -1.26 -4.92 113.62 113.54 1wmx n SER 61 Ca 0.17 -0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 1wmx n SER 61 Cb 0.87 1.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.90 1wmx n SER 61 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wmx n GLY 62 N 1.40 2.91 3.56 5.00 0.00 -1.26 -4.81 105.19 111.98 1wmx n GLY 62 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1wmx n GLY 62 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1wmx s TRP 63 N -2.69 -0.34 -0.23 1.61 1.48 -1.26 -5.03 118.94 112.48 1wmx s TRP 63 Ca 0.00 0.13 -0.27 0.00 -1.06 0.00 0.00 56.10 54.90 1wmx s TRP 63 Cb 0.00 0.58 0.11 0.00 -1.16 0.00 0.00 33.47 33.00 1wmx s TRP 63 CO 0.00 -0.73 0.96 1.67 -4.06 0.00 0.00 176.95 174.78 1wmx s TRP 64 N -3.38 -0.50 0.02 1.66 1.48 -1.26 -2.86 118.94 114.11 1wmx s TRP 64 Ca 0.06 1.10 -0.06 0.00 -1.06 0.00 0.00 56.10 56.14 1wmx s TRP 64 Cb -0.01 0.38 -0.00 0.00 -1.16 0.00 0.00 33.47 32.67 1wmx s TRP 64 CO -0.07 -0.31 0.11 -1.50 -4.06 0.00 0.00 176.95 171.13 1wmx s ILE 65 N -0.24 0.11 -0.10 0.66 2.07 0.07 -2.27 121.20 121.50 1wmx s ILE 65 Ca 0.00 -0.88 -0.01 0.00 -1.41 0.00 0.00 60.65 58.35 1wmx s ILE 65 Cb -0.03 -0.63 0.03 0.00 0.13 0.00 0.00 42.46 41.96 1wmx s ILE 65 CO -0.02 -0.48 -0.03 -0.55 -1.91 0.00 0.00 174.94 171.95 1wmx s SER 66 N -1.73 1.91 -0.21 4.50 0.15 0.02 -0.85 113.70 117.50 1wmx s SER 66 Ca -0.10 -0.22 -0.04 0.00 0.70 0.00 0.00 55.95 56.28 1wmx s SER 66 Cb -0.05 -0.61 -0.02 0.00 -1.71 0.00 0.00 66.02 63.63 1wmx s SER 66 CO -0.01 -0.17 -0.02 -0.76 1.20 0.00 0.00 173.24 173.47 1wmx s LEU 67 N 1.86 3.06 -0.31 3.45 1.43 0.73 -1.41 118.68 127.50 1wmx s LEU 67 Ca 0.05 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1wmx s LEU 67 Cb -0.13 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.37 1wmx s LEU 67 CO -0.07 0.03 0.01 -0.76 0.23 0.00 0.00 176.35 175.79 1wmx s LEU 68 N 1.20 4.01 0.59 1.79 1.43 -0.37 -1.98 118.68 125.35 1wmx s LEU 68 Ca 0.03 -1.37 -0.18 0.00 -1.03 0.00 0.00 54.13 51.58 1wmx s LEU 68 Cb -0.14 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1wmx s LEU 68 CO -0.00 -0.28 1.14 0.42 0.23 0.00 0.00 176.35 177.86 1wmx s THR 69 N 1.22 3.08 -0.15 5.49 -4.23 -0.90 -1.41 115.64 118.74 1wmx s THR 69 Ca -0.04 0.62 0.16 0.00 -1.18 0.00 0.00 61.69 61.25 1wmx s THR 69 Cb -0.20 -3.20 -0.24 0.00 1.34 0.00 0.00 72.50 70.19 1wmx s THR 69 CO -0.02 -0.19 0.25 0.18 -0.54 0.00 0.00 174.62 174.30 1wmx n LEU 70 N -1.67 0.32 -2.72 4.79 4.32 -0.33 -4.61 117.00 117.09 1wmx n LEU 70 Ca 0.12 0.13 -0.06 0.00 -0.02 0.00 0.00 56.01 56.18 1wmx n LEU 70 Cb 0.51 0.37 0.04 0.00 -1.62 0.00 0.00 43.42 42.72 1wmx n LEU 70 CO 0.44 0.47 -0.07 0.54 -1.22 0.00 0.00 177.39 177.56 1wmx n ARG 71 N -2.85 1.35 -3.66 3.23 5.12 -1.26 -4.99 116.66 113.61 1wmx n ARG 71 Ca -0.28 -3.31 -0.27 0.00 -1.93 0.00 0.00 57.85 52.06 1wmx n ARG 71 Cb 1.12 -1.34 0.02 0.00 -1.16 0.00 0.00 32.46 31.10 1wmx n ARG 71 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wmx n GLY 72 N -0.27 -0.50 1.29 -0.13 0.00 -1.26 -1.68 105.19 102.63 1wmx n GLY 72 Ca 0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1wmx n GLY 72 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wmx n TRP 73 N -4.50 0.00 -1.75 1.61 7.02 -1.26 -5.06 117.44 113.49 1wmx n TRP 73 Ca 0.01 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.18 1wmx n TRP 73 Cb 0.54 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.48 1wmx n TRP 73 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1wmx s ASN 74 N -2.40 5.43 0.55 -0.99 0.02 -0.68 -4.93 114.94 111.94 1wmx s ASN 74 Ca 0.00 1.34 -0.14 0.00 -1.02 0.00 0.00 52.86 53.04 1wmx s ASN 74 Cb 0.00 -2.20 -0.06 0.00 0.02 0.00 0.00 41.25 39.00 1wmx s ASN 74 CO 0.00 -1.37 0.99 0.42 0.02 0.00 0.00 177.10 177.16 1wmx s THR 75 N -3.21 4.62 -0.03 1.60 -4.23 -1.26 -4.31 115.64 108.82 1wmx s THR 75 Ca 0.58 1.04 0.01 0.00 -1.18 0.00 0.00 61.69 62.14 1wmx s THR 75 Cb -0.12 -3.79 0.02 0.00 1.34 0.00 0.00 72.50 69.95 1wmx s THR 75 CO 0.53 -0.88 -0.04 -2.28 -0.54 0.00 0.00 174.62 171.41 1wmx s HIS 76 N -2.85 0.66 -0.48 3.99 2.46 0.16 -4.88 115.29 114.35 1wmx s HIS 76 Ca 0.57 -0.16 -0.28 0.00 0.47 0.00 0.00 55.06 55.66 1wmx s HIS 76 Cb -0.10 -0.57 0.00 0.00 -0.13 0.00 0.00 32.58 31.78 1wmx s HIS 76 CO 0.41 -0.14 1.51 0.34 -2.47 0.00 0.00 174.74 174.39 1wmx s ASP 77 N 0.69 6.07 0.00 9.88 -1.08 -1.23 -2.31 116.67 128.70 1wmx s ASP 77 Ca -0.09 0.62 0.03 0.00 -0.52 0.00 0.00 52.55 52.59 1wmx s ASP 77 Cb -0.12 -2.54 0.07 0.00 -1.46 0.00 0.00 42.92 38.87 1wmx s ASP 77 CO 0.00 -1.69 0.89 0.18 0.52 0.00 0.00 175.17 175.08 1wmx n LEU 78 N 9.76 1.89 -0.35 -1.34 4.77 -0.41 -4.75 117.00 126.56 1wmx n LEU 78 Ca 0.16 -1.62 0.11 0.00 -0.03 0.00 0.00 56.01 54.63 1wmx n LEU 78 Cb 0.49 -0.04 0.30 0.00 -2.33 0.00 0.00 43.42 41.83 1wmx n LEU 78 CO 0.70 0.46 1.21 0.77 -1.33 0.00 0.00 177.39 179.20 1wmx h SER 79 N 0.61 0.83 0.00 -1.43 4.64 -1.83 0.16 113.55 116.52 1wmx h SER 79 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1wmx h SER 79 Cb 0.40 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1wmx h SER 79 CO 0.00 0.35 0.00 0.00 -0.87 0.00 0.00 176.83 176.31 1wmx n GLN 80 N -4.71 0.95 -0.01 4.77 6.02 -1.26 -3.00 117.38 120.14 1wmx n GLN 80 Ca 0.22 0.00 0.10 0.00 -0.01 0.00 0.00 57.00 57.31 1wmx n GLN 80 Cb 0.50 -1.44 -0.15 0.00 1.02 0.00 0.00 30.24 30.18 1wmx n GLN 80 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1wmx n TYR 81 N -0.94 0.00 0.14 1.08 4.02 0.54 -4.71 117.16 117.29 1wmx n TYR 81 Ca 0.20 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.96 1wmx n TYR 81 Cb 0.09 -0.36 -0.06 0.00 -0.02 0.00 0.00 39.34 38.99 1wmx n TYR 81 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1wmx h VAL 82 N 0.00 0.42 0.00 -0.72 2.07 -1.46 0.44 116.25 117.00 1wmx h VAL 82 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1wmx h VAL 82 Cb 0.82 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1wmx h VAL 82 CO 0.00 0.00 -0.19 -0.33 0.02 0.00 0.00 177.57 177.07 1wmx h GLU 83 N -0.51 0.00 0.00 1.57 4.39 -1.84 -2.75 114.58 115.44 1wmx h GLU 83 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1wmx h GLU 83 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1wmx h GLU 83 CO -0.12 0.19 0.00 0.09 -1.16 0.00 0.00 179.01 178.01 1wmx n ASN 84 N -3.62 0.18 -4.89 1.42 3.02 -1.24 -4.84 115.26 105.29 1wmx n ASN 84 Ca -0.01 -0.54 -0.29 0.00 -0.03 0.00 0.00 54.58 53.70 1wmx n ASN 84 Cb 0.32 0.24 0.07 0.00 -0.61 0.00 0.00 39.78 39.80 1wmx n ASN 84 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1wmx s GLY 85 N -0.24 1.61 0.07 7.41 0.00 0.15 -4.11 107.32 112.21 1wmx s GLY 85 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 44.72 44.15 1wmx s GLY 85 CO 0.00 -0.10 0.04 -0.19 0.00 0.00 0.00 173.10 172.85 1wmx s TYR 86 N -3.47 0.45 -0.36 1.90 1.51 -0.52 -2.36 117.35 114.49 1wmx s TYR 86 Ca 0.60 -0.94 -0.11 0.00 -1.01 0.00 0.00 57.07 55.60 1wmx s TYR 86 Cb -0.11 -0.30 0.01 0.00 -0.11 0.00 0.00 41.96 41.45 1wmx s TYR 86 CO 0.50 -0.44 0.21 -1.17 -1.11 0.00 0.00 175.55 173.54 1wmx s LEU 87 N -2.92 4.61 0.16 -1.29 2.96 0.39 -0.84 118.68 121.75 1wmx s LEU 87 Ca 0.08 -0.80 0.09 0.00 -0.22 0.00 0.00 54.13 53.28 1wmx s LEU 87 Cb 0.07 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 1wmx s LEU 87 CO -0.09 -0.33 -0.16 -1.61 -1.32 0.00 0.00 176.35 172.84 1wmx s GLU 88 N 1.61 1.85 -0.17 1.98 2.02 0.21 -0.76 118.70 125.43 1wmx s GLU 88 Ca 0.04 -1.28 -0.35 0.00 0.02 0.00 0.00 54.97 53.40 1wmx s GLU 88 Cb -0.18 -2.08 0.14 0.00 0.10 0.00 0.00 34.13 32.10 1wmx s GLU 88 CO 0.07 0.45 1.25 -0.59 0.02 0.00 0.00 175.26 176.46 1wmx s PHE 89 N -1.46 -0.10 0.04 1.61 -0.12 -1.02 -0.81 117.98 116.12 1wmx s PHE 89 Ca 0.21 0.05 0.03 0.00 -0.05 0.00 0.00 56.93 57.17 1wmx s PHE 89 Cb -0.09 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 1wmx s PHE 89 CO 0.12 -0.19 -0.00 -0.51 -0.05 0.00 0.00 175.22 174.59 1wmx s ASP 90 N -2.30 5.04 0.11 1.98 1.11 -0.53 -0.82 116.67 121.27 1wmx s ASP 90 Ca 0.10 -0.09 -0.12 0.00 0.18 0.00 0.00 52.55 52.63 1wmx s ASP 90 Cb 0.00 -1.26 0.01 0.00 1.07 0.00 0.00 42.92 42.75 1wmx s ASP 90 CO -0.04 0.23 0.29 -0.51 1.18 0.00 0.00 175.17 176.32 1wmx s ILE 91 N -1.18 0.10 -0.28 0.77 2.07 -0.18 -1.35 121.20 121.17 1wmx s ILE 91 Ca 0.22 -0.95 -0.23 0.00 -1.41 0.00 0.00 60.65 58.28 1wmx s ILE 91 Cb -0.12 -1.33 0.09 0.00 0.13 0.00 0.00 42.46 41.23 1wmx s ILE 91 CO 0.14 -0.47 0.79 -1.59 -1.91 0.00 0.00 174.94 171.89 1wmx s LYS 92 N -3.85 0.73 0.36 3.50 -2.85 -1.15 -1.10 119.74 115.38 1wmx s LYS 92 Ca 0.05 0.95 0.04 0.00 -1.00 0.00 0.00 55.97 56.01 1wmx s LYS 92 Cb 0.03 0.31 -0.01 0.00 -2.06 0.00 0.00 37.83 36.10 1wmx s LYS 92 CO -0.10 -0.10 0.53 0.20 0.10 0.00 0.00 175.35 175.98 1wmx s GLY 93 N 0.63 1.50 0.20 0.59 0.00 0.19 -2.01 107.32 108.42 1wmx s GLY 93 Ca -0.02 -1.23 -0.09 0.00 0.00 0.00 0.00 44.72 43.38 1wmx s GLY 93 CO -0.05 -1.14 1.73 1.70 0.00 0.00 0.00 173.10 175.34 1wmx h LYS 94 N 0.75 1.11 0.00 2.90 3.64 -1.37 -3.37 116.57 120.23 1wmx h LYS 94 Ca -0.47 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 58.66 1wmx h LYS 94 Cb 1.25 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1wmx h LYS 94 CO 0.56 0.96 0.00 -0.85 -2.27 0.00 0.00 179.45 177.85 1wmx n GLU 95 N -4.28 0.00 0.00 1.90 0.00 -1.26 -4.89 120.64 112.11 1wmx n GLU 95 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.21 1wmx n GLU 95 Cb 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 31.44 31.20 1wmx n GLU 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1wmx n GLY 96 N 3.45 4.75 1.74 -1.84 0.00 -1.26 -4.21 105.19 107.82 1wmx n GLY 96 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1wmx n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wmx n GLY 97 N -1.94 0.63 3.75 -0.02 0.00 0.22 -4.96 105.19 102.86 1wmx n GLY 97 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1wmx n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wmx n GLU 98 N -2.73 1.95 -3.80 1.61 4.71 -1.26 -4.92 120.64 116.21 1wmx n GLU 98 Ca 0.00 0.70 -0.13 0.00 -0.01 0.00 0.00 57.16 57.73 1wmx n GLU 98 Cb 0.00 -2.58 -0.09 0.00 -1.01 0.00 0.00 31.44 27.76 1wmx n GLU 98 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1wmx s ASP 99 N -0.69 -0.13 0.13 1.62 2.15 -1.26 -4.59 116.67 113.90 1wmx s ASP 99 Ca 0.66 0.04 -0.25 0.00 0.43 0.00 0.00 52.55 53.43 1wmx s ASP 99 Cb -0.44 0.31 0.07 0.00 -0.30 0.00 0.00 42.92 42.56 1wmx s ASP 99 CO 0.54 -0.39 1.02 0.72 -0.17 0.00 0.00 175.17 176.89 1wmx s PHE 100 N -1.19 -0.08 0.21 -5.34 -0.12 -1.26 -4.59 117.98 105.61 1wmx s PHE 100 Ca -0.13 -0.21 -0.27 0.00 -0.05 0.00 0.00 56.93 56.28 1wmx s PHE 100 Cb -0.06 0.64 -0.09 0.00 -0.63 0.00 0.00 43.02 42.88 1wmx s PHE 100 CO 0.03 -0.76 0.85 0.08 -0.05 0.00 0.00 175.22 175.37 1wmx s VAL 101 N -2.97 4.26 -0.02 -2.49 1.01 0.13 -2.18 120.40 118.13 1wmx s VAL 101 Ca 0.14 1.83 -0.02 0.00 0.00 0.00 0.00 61.98 63.93 1wmx s VAL 101 Cb -0.01 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1wmx s VAL 101 CO 0.02 0.46 0.06 -0.51 0.00 0.00 0.00 175.10 175.13 1wmx s ILE 102 N -1.23 -0.01 0.00 2.22 2.07 0.12 -0.47 121.20 123.90 1wmx s ILE 102 Ca 0.39 0.04 0.00 0.00 -1.41 0.00 0.00 60.65 59.67 1wmx s ILE 102 Cb -0.23 -0.10 0.00 0.00 0.13 0.00 0.00 42.46 42.26 1wmx s ILE 102 CO 0.28 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.93 1wmx n GLY 103 N 3.28 1.10 3.25 1.50 0.00 0.28 -1.43 105.19 113.17 1wmx n GLY 103 Ca -0.15 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 1wmx n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wmx s PHE 104 N -1.85 1.25 0.01 1.61 0.08 -0.27 -0.05 117.98 118.75 1wmx s PHE 104 Ca 0.00 -0.82 0.03 0.00 0.12 0.00 0.00 56.93 56.26 1wmx s PHE 104 Cb 0.00 -0.66 -0.01 0.00 -0.57 0.00 0.00 43.02 41.78 1wmx s PHE 104 CO 0.00 0.02 -0.09 0.50 -0.10 0.00 0.00 175.22 175.55 1wmx s ARG 105 N -3.78 0.69 0.39 0.44 3.52 -0.43 -0.49 118.95 119.29 1wmx s ARG 105 Ca 0.18 -0.46 0.01 0.00 -0.13 0.00 0.00 55.73 55.33 1wmx s ARG 105 Cb 0.03 -0.63 0.01 0.00 -1.56 0.00 0.00 34.95 32.80 1wmx s ARG 105 CO 0.01 0.16 0.12 -0.40 -0.81 0.00 0.00 175.30 174.38 1wmx n ASP 106 N 2.44 2.77 -3.58 -2.12 3.85 -0.27 -1.04 116.55 118.60 1wmx n ASP 106 Ca -0.16 -2.57 -0.09 0.00 -0.71 0.00 0.00 54.79 51.26 1wmx n ASP 106 Cb 0.56 0.15 -0.09 0.00 -1.35 0.00 0.00 41.12 40.39 1wmx n ASP 106 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 1wmx s LYS 107 N -3.49 0.32 -0.30 0.11 2.20 -0.29 -3.62 119.74 114.66 1wmx s LYS 107 Ca 0.09 0.90 -0.02 0.00 -0.36 0.00 0.00 55.97 56.58 1wmx s LYS 107 Cb -0.01 0.12 0.10 0.00 -1.51 0.00 0.00 37.83 36.53 1wmx s LYS 107 CO 0.06 -0.35 0.10 0.08 -0.36 0.00 0.00 175.35 174.88 1wmx s VAL 108 N 2.59 0.61 0.56 4.02 1.01 0.19 -4.82 120.40 124.56 1wmx s VAL 108 Ca 0.02 -1.19 0.24 0.00 0.00 0.00 0.00 61.98 61.05 1wmx s VAL 108 Cb -0.13 -1.46 0.33 0.00 0.00 0.00 0.00 36.38 35.12 1wmx s VAL 108 CO -0.13 -0.67 2.19 1.88 0.00 0.00 0.00 175.10 178.37 1wmx h TYR 109 N 8.18 0.00 0.00 5.22 0.05 -1.95 -2.22 116.97 126.25 1wmx h TYR 109 Ca -0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.63 1wmx h TYR 109 Cb 1.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.76 1wmx h TYR 109 CO 0.34 0.00 -0.28 0.39 -1.05 0.00 0.00 178.16 177.56 1wmx n GLU 110 N -4.12 0.24 -2.68 4.88 4.71 -1.26 -4.41 120.64 117.99 1wmx n GLU 110 Ca -0.02 0.13 -0.43 0.00 -0.01 0.00 0.00 57.16 56.83 1wmx n GLU 110 Cb 0.13 -1.72 -0.01 0.00 -1.01 0.00 0.00 31.44 28.83 1wmx n GLU 110 CO 0.00 0.00 0.00 0.50 0.09 0.00 0.00 177.13 177.72 1wmx s ARG 111 N -3.11 3.93 0.55 3.49 3.52 -0.84 -4.82 118.95 121.66 1wmx s ARG 111 Ca 0.09 -1.99 0.23 0.00 -0.13 0.00 0.00 55.73 53.94 1wmx s ARG 111 Cb 0.14 -5.36 1.46 0.00 -1.56 0.00 0.00 34.95 29.62 1wmx s ARG 111 CO 0.65 -2.11 2.10 -0.39 -0.81 0.00 0.00 175.30 174.74 1wmx h VAL 112 N 5.56 0.74 -0.09 7.11 -1.51 -1.85 -1.14 116.25 125.07 1wmx h VAL 112 Ca 0.36 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.83 1wmx h VAL 112 Cb 0.90 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1wmx h VAL 112 CO 1.38 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.72 1wmx n TYR 113 N -4.23 0.11 0.00 5.19 0.18 -1.26 -4.63 117.16 112.52 1wmx n TYR 113 Ca 0.02 -0.06 0.00 0.00 1.88 0.00 0.00 57.90 59.74 1wmx n TYR 113 Cb 0.30 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.26 1wmx n TYR 113 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1wmx n GLY 114 N 0.78 -1.01 0.37 -7.48 0.00 -0.44 -5.04 105.19 92.37 1wmx n GLY 114 Ca 0.09 0.81 0.16 0.00 0.00 0.00 0.00 46.02 47.07 1wmx n GLY 114 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wmx h LEU 115 N 0.00 0.29 -7.95 0.99 3.38 -1.76 -3.42 115.31 106.85 1wmx h LEU 115 Ca 0.00 0.01 -0.44 0.00 0.09 0.00 0.00 57.88 57.54 1wmx h LEU 115 Cb 0.00 -0.05 -0.32 0.00 0.09 0.00 0.00 40.66 40.39 1wmx h LEU 115 CO 0.00 0.16 -0.79 -1.61 0.09 0.00 0.00 178.44 176.29 1wmx s GLU 116 N -5.31 1.07 0.01 1.13 2.02 -1.26 -0.64 118.70 115.73 1wmx s GLU 116 Ca -0.07 -0.30 0.05 0.00 0.02 0.00 0.00 54.97 54.67 1wmx s GLU 116 Cb 0.20 -0.98 -0.02 0.00 0.10 0.00 0.00 34.13 33.44 1wmx s GLU 116 CO 0.75 0.08 -0.15 0.42 0.02 0.00 0.00 175.26 176.39 1wmx s ILE 117 N 0.35 1.16 0.02 -1.63 1.01 -1.24 -4.95 121.20 115.92 1wmx s ILE 117 Ca -0.06 -0.81 0.05 0.00 0.00 0.00 0.00 60.65 59.84 1wmx s ILE 117 Cb -0.10 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 1wmx s ILE 117 CO 0.01 0.18 -0.13 -1.81 0.00 0.00 0.00 174.94 173.19 1wmx s ASP 118 N -0.72 4.14 -0.13 3.58 -0.00 -1.26 -1.12 116.67 121.16 1wmx s ASP 118 Ca 0.04 -0.30 0.01 0.00 -0.00 0.00 0.00 52.55 52.30 1wmx s ASP 118 Cb -0.07 -0.81 -0.01 0.00 -0.00 0.00 0.00 42.92 42.04 1wmx s ASP 118 CO 0.00 0.27 -0.17 0.68 -0.00 0.00 0.00 175.17 175.96 1wmx s VAL 119 N -0.94 2.63 0.20 -1.27 -7.23 0.36 -4.98 120.40 109.17 1wmx s VAL 119 Ca 0.15 -0.80 -0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1wmx s VAL 119 Cb -0.11 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 1wmx s VAL 119 CO 0.06 0.53 0.11 0.42 -0.31 0.00 0.00 175.10 175.91 1wmx s THR 120 N 0.54 0.15 0.20 5.32 -4.23 -1.26 -1.11 115.64 115.24 1wmx s THR 120 Ca -0.11 -1.99 -0.23 0.00 -1.18 0.00 0.00 61.69 58.18 1wmx s THR 120 Cb -0.16 -2.46 0.05 0.00 1.34 0.00 0.00 72.50 71.27 1wmx s THR 120 CO 0.04 -0.07 0.82 0.28 -0.54 0.00 0.00 174.62 175.15 1wmx s THR 121 N -4.05 0.00 -0.07 3.99 -1.32 -0.51 -4.98 115.64 108.70 1wmx s THR 121 Ca 0.36 -0.73 -0.10 0.00 -1.21 0.00 0.00 61.69 60.01 1wmx s THR 121 Cb 0.07 -1.87 -0.05 0.00 -1.51 0.00 0.00 72.50 69.15 1wmx s THR 121 CO 0.11 0.00 0.26 0.68 -2.21 0.00 0.00 174.62 173.46 1wmx s VAL 122 N -3.60 5.29 0.46 5.08 -7.23 -1.26 -0.70 120.40 118.44 1wmx s VAL 122 Ca 0.10 0.49 0.21 0.00 -1.81 0.00 0.00 61.98 60.98 1wmx s VAL 122 Cb -0.03 -3.54 0.25 0.00 0.56 0.00 0.00 36.38 33.61 1wmx s VAL 122 CO 0.03 0.60 2.07 -0.29 -0.31 0.00 0.00 175.10 177.19 1wmx h ILE 123 N 3.86 0.86 -0.02 -0.62 2.10 -1.78 -2.19 117.51 119.71 1wmx h ILE 123 Ca -0.53 -0.46 0.01 0.00 1.08 0.00 0.00 64.86 64.95 1wmx h ILE 123 Cb 1.22 1.26 -0.00 0.00 -1.09 0.00 0.00 36.82 38.22 1wmx h ILE 123 CO 0.60 0.12 0.04 0.77 -1.08 0.00 0.00 178.15 178.60 1wmx h SER 124 N 0.00 0.00 0.52 2.19 4.64 -1.84 -0.13 113.55 118.94 1wmx h SER 124 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wmx h SER 124 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1wmx h SER 124 CO 0.02 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.57 1wmx n ASN 125 N -3.55 0.00 0.00 4.97 5.03 -0.82 -3.35 115.26 117.54 1wmx n ASN 125 Ca -0.02 0.30 0.00 0.00 0.87 0.00 0.00 54.58 55.73 1wmx n ASN 125 Cb 0.12 -0.41 0.00 0.00 -1.02 0.00 0.00 39.78 38.47 1wmx n ASN 125 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1wmx n TYR 126 N -1.41 0.00 -3.52 3.10 4.01 -0.12 -5.09 117.16 114.13 1wmx n TYR 126 Ca 0.06 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.72 1wmx n TYR 126 Cb 0.19 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.20 1wmx n TYR 126 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1wmx s VAL 127 N -0.27 0.00 -0.45 -0.72 0.11 -0.86 -4.77 120.40 113.44 1wmx s VAL 127 Ca 0.00 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.02 1wmx s VAL 127 Cb 0.00 -1.10 0.12 0.00 -1.53 0.00 0.00 36.38 33.88 1wmx s VAL 127 CO 0.00 0.00 0.20 -0.89 -3.33 0.00 0.00 175.10 171.08 1wmx s THR 128 N -3.17 2.14 0.19 5.04 2.01 -1.26 -4.04 115.64 116.54 1wmx s THR 128 Ca 0.05 -2.83 -0.33 0.00 0.31 0.00 0.00 61.69 58.89 1wmx s THR 128 Cb -0.01 -2.51 -0.14 0.00 0.01 0.00 0.00 72.50 69.85 1wmx s THR 128 CO -0.08 -0.78 1.46 0.52 -0.69 0.00 0.00 174.62 175.05 1wmx n VAL 129 N 3.54 0.45 -4.04 3.82 0.31 -1.26 -4.82 118.33 116.33 1wmx n VAL 129 Ca 0.05 -0.11 -0.02 0.00 -0.01 0.00 0.00 64.34 64.25 1wmx n VAL 129 Cb 0.35 -1.40 -0.00 0.00 -0.91 0.00 0.00 33.84 31.88 1wmx n VAL 129 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1wmx n THR 130 N 2.58 0.00 1.41 2.52 -2.24 -1.26 0.70 114.28 117.98 1wmx n THR 130 Ca 0.15 -0.14 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1wmx n THR 130 Cb 0.29 0.03 0.47 0.00 -2.10 0.00 0.00 70.33 69.02 1wmx n THR 130 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1wmx n THR 131 N -0.07 0.05 -4.25 4.28 -1.04 -1.26 0.57 114.28 112.56 1wmx n THR 131 Ca -0.01 -0.29 -0.27 0.00 -2.04 0.00 0.00 64.05 61.44 1wmx n THR 131 Cb 0.04 0.52 -0.09 0.00 -1.82 0.00 0.00 70.33 68.98 1wmx n THR 131 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1wmx s ASP 132 N -1.90 4.45 0.28 8.00 1.01 -1.26 -4.77 116.67 122.48 1wmx s ASP 132 Ca 0.36 -0.49 -0.29 0.00 0.71 0.00 0.00 52.55 52.84 1wmx s ASP 132 Cb 0.20 -0.84 -0.10 0.00 1.01 0.00 0.00 42.92 43.20 1wmx s ASP 132 CO 0.32 0.11 1.31 0.26 0.21 0.00 0.00 175.17 177.38 1wmx s TRP 133 N -1.64 3.14 0.00 4.23 0.52 -1.26 -4.52 118.94 119.41 1wmx s TRP 133 Ca 0.25 1.33 0.02 0.00 0.02 0.00 0.00 56.10 57.72 1wmx s TRP 133 Cb -0.09 -3.65 -0.01 0.00 -1.15 0.00 0.00 33.47 28.57 1wmx s TRP 133 CO 0.16 -1.88 -0.05 -0.65 0.02 0.00 0.00 176.95 174.54 1wmx s GLN 134 N -1.12 0.43 -0.24 4.98 -0.21 -0.26 -4.96 119.66 118.28 1wmx s GLN 134 Ca 0.52 -0.25 -0.13 0.00 0.02 0.00 0.00 55.36 55.53 1wmx s GLN 134 Cb -0.39 -0.40 -0.04 0.00 1.00 0.00 0.00 33.01 33.18 1wmx s GLN 134 CO 0.47 0.11 0.27 -1.58 -2.12 0.00 0.00 175.29 172.43 1wmx s HIS 135 N -0.25 3.30 0.10 0.91 5.65 -1.26 -1.01 115.29 122.73 1wmx s HIS 135 Ca 0.01 0.34 0.10 0.00 0.25 0.00 0.00 55.06 55.76 1wmx s HIS 135 Cb -0.03 -2.41 -0.04 0.00 -1.18 0.00 0.00 32.58 28.93 1wmx s HIS 135 CO -0.00 -0.04 -0.23 0.54 -0.65 0.00 0.00 174.74 174.35 1wmx s VAL 136 N 1.42 2.49 -0.25 0.89 0.11 -0.00 -5.00 120.40 120.06 1wmx s VAL 136 Ca 0.12 -1.53 0.00 0.00 -2.93 0.00 0.00 61.98 57.63 1wmx s VAL 136 Cb -0.15 -2.08 0.07 0.00 -1.53 0.00 0.00 36.38 32.69 1wmx s VAL 136 CO 0.07 0.18 -0.00 -0.54 -3.33 0.00 0.00 175.10 171.48 1wmx s LYS 137 N -1.84 1.29 -0.13 1.54 1.02 -1.26 -2.44 119.74 117.92 1wmx s LYS 137 Ca 0.15 -0.98 -0.19 0.00 0.02 0.00 0.00 55.97 54.97 1wmx s LYS 137 Cb -0.10 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.71 1wmx s LYS 137 CO 0.06 -0.70 0.52 0.42 -0.92 0.00 0.00 175.35 174.74 1wmx s ILE 138 N 1.47 5.15 -0.41 2.17 1.01 0.06 -4.92 121.20 125.73 1wmx s ILE 138 Ca -0.01 1.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.38 1wmx s ILE 138 Cb -0.18 -3.86 0.02 0.00 0.01 0.00 0.00 42.46 38.45 1wmx s ILE 138 CO -0.10 0.28 1.27 -2.16 0.00 0.00 0.00 174.94 174.23 1wmx s PRO 139 N 0.91 3.72 0.16 2.79 0.04 -1.26 0.15 135.00 141.50 1wmx s PRO 139 Ca 0.27 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 1wmx s PRO 139 Cb -0.16 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.41 1wmx s PRO 139 CO 0.11 -1.38 1.55 -0.07 0.04 0.00 0.00 177.00 177.25 1wmx h LEU 140 N 11.47 -1.88 -1.73 -3.56 3.38 -1.72 0.18 115.31 121.45 1wmx h LEU 140 Ca -0.25 0.28 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wmx h LEU 140 Cb 1.08 0.82 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1wmx h LEU 140 CO 1.09 -0.32 0.38 0.08 0.09 0.00 0.00 178.44 179.76 1wmx h ARG 141 N -0.18 0.00 0.00 1.13 0.11 -1.71 0.35 114.38 114.08 1wmx h ARG 141 Ca 0.15 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.21 1wmx h ARG 141 Cb 0.52 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.60 1wmx h ARG 141 CO -0.78 0.00 -0.09 -0.44 0.10 0.00 0.00 179.97 178.77 1wmx h ASP 142 N 0.00 0.00 0.00 0.08 3.45 -0.97 -3.24 116.42 115.73 1wmx h ASP 142 Ca 0.00 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.21 1wmx h ASP 142 Cb 0.76 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.49 1wmx h ASP 142 CO 0.00 0.09 -1.74 0.18 -1.57 0.00 0.00 179.24 176.20 1wmx n LEU 143 N -3.14 1.59 -1.79 1.55 4.77 0.11 -4.70 117.00 115.39 1wmx n LEU 143 Ca 0.03 0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 1wmx n LEU 143 Cb 0.49 -0.64 0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1wmx n LEU 143 CO 0.33 0.18 1.12 0.23 -1.33 0.00 0.00 177.39 177.92 1wmx n MET 144 N -4.05 1.70 -3.50 3.23 2.81 -0.41 -4.61 117.12 112.29 1wmx n MET 144 Ca -0.32 -1.41 -0.34 0.00 -1.81 0.00 0.00 57.70 53.81 1wmx n MET 144 Cb 0.67 -1.55 -0.06 0.00 -0.71 0.00 0.00 33.22 31.57 1wmx n MET 144 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1wmx n LYS 145 N 0.29 2.84 0.00 0.03 5.02 -1.22 -4.87 118.16 120.24 1wmx n LYS 145 Ca 0.27 -4.55 0.00 0.00 -2.02 0.00 0.00 58.31 52.02 1wmx n LYS 145 Cb 0.67 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.31 1wmx n LYS 145 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1wmx n ILE 146 N 1.72 0.00 0.00 -0.18 -5.35 -1.26 -4.93 119.36 109.36 1wmx n ILE 146 Ca 0.24 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.72 1wmx n ILE 146 Cb 0.37 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.27 1wmx n ILE 146 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1wmx n ASN 147 N 0.00 0.00 -0.60 7.28 5.15 -1.26 -4.89 115.26 120.94 1wmx n ASN 147 Ca 0.00 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.07 1wmx n ASN 147 Cb 0.00 0.00 0.22 0.00 -0.53 0.00 0.00 39.78 39.47 1wmx n ASN 147 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1wmx n ASN 148 N 0.00 3.33 0.00 1.20 5.03 -1.26 -5.01 115.26 118.55 1wmx n ASN 148 Ca 0.00 -3.05 0.00 0.00 0.87 0.00 0.00 54.58 52.40 1wmx n ASN 148 Cb 0.00 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.26 1wmx n ASN 148 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wmx n GLY 149 N -0.85 1.95 3.62 7.41 0.00 -1.26 -5.08 105.19 110.98 1wmx n GLY 149 Ca 0.19 -0.12 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 1wmx n GLY 149 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1wmx n PHE 150 N 0.00 1.67 -3.95 1.61 7.35 -1.26 -4.95 117.46 117.92 1wmx n PHE 150 Ca 0.00 0.60 -0.31 0.00 -0.76 0.00 0.00 57.45 56.98 1wmx n PHE 150 Cb 0.00 -2.34 -0.14 0.00 0.35 0.00 0.00 39.48 37.35 1wmx n PHE 150 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1wmx s ASP 151 N -0.14 4.60 0.08 -2.13 2.15 -1.26 -4.80 116.67 115.17 1wmx s ASP 151 Ca 0.65 -2.63 0.05 0.00 0.43 0.00 0.00 52.55 51.05 1wmx s ASP 151 Cb -0.71 -1.66 0.26 0.00 -0.30 0.00 0.00 42.92 40.51 1wmx s ASP 151 CO 0.55 -0.31 1.08 -0.81 -0.17 0.00 0.00 175.17 175.51 1wmx n PRO 152 N 3.65 0.03 0.00 4.34 -0.04 -1.26 -0.36 135.00 141.36 1wmx n PRO 152 Ca 0.04 0.47 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 1wmx n PRO 152 Cb 0.37 -1.69 0.43 0.00 -0.04 0.00 0.00 33.50 32.56 1wmx n PRO 152 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wmx n SER 153 N -1.62 0.58 -2.40 3.54 3.41 -1.26 -1.29 113.62 114.58 1wmx n SER 153 Ca -0.00 -0.43 -0.16 0.00 -0.26 0.00 0.00 58.87 58.01 1wmx n SER 153 Cb 0.10 0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1wmx n SER 153 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wmx n SER 154 N -1.11 3.58 -4.73 4.04 7.64 0.52 -3.52 113.62 120.05 1wmx n SER 154 Ca 0.10 -3.16 -0.41 0.00 1.01 0.00 0.00 58.87 56.41 1wmx n SER 154 Cb 0.32 -0.42 -0.04 0.00 -1.01 0.00 0.00 64.21 63.06 1wmx n SER 154 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1wmx s VAL 155 N -4.39 4.38 -0.13 0.44 1.01 -0.98 -1.14 120.40 119.60 1wmx s VAL 155 Ca 0.41 1.91 0.02 0.00 0.00 0.00 0.00 61.98 64.33 1wmx s VAL 155 Cb 0.39 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 1wmx s VAL 155 CO -0.02 0.26 -0.10 0.35 0.00 0.00 0.00 175.10 175.59 1wmx n THR 156 N 3.00 0.75 -3.84 3.92 -2.24 -0.20 0.39 114.28 116.06 1wmx n THR 156 Ca 0.04 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 1wmx n THR 156 Cb 0.49 -0.93 -0.07 0.00 -2.10 0.00 0.00 70.33 67.71 1wmx n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wmx s LEU 158 N -2.86 4.18 0.01 0.00 2.96 -0.50 -1.31 118.68 121.17 1wmx s LEU 158 Ca 0.05 0.84 0.02 0.00 -0.22 0.00 0.00 54.13 54.81 1wmx s LEU 158 Cb 0.05 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 1wmx s LEU 158 CO -0.11 -0.05 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.11 1wmx s VAL 159 N -1.79 0.49 0.02 1.68 1.01 0.93 -1.23 120.40 121.50 1wmx s VAL 159 Ca 0.46 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1wmx s VAL 159 Cb -0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1wmx s VAL 159 CO 0.22 0.00 -0.21 -0.36 0.00 0.00 0.00 175.10 174.76 1wmx s PHE 160 N -0.45 1.82 0.11 5.22 2.99 -0.50 -0.56 117.98 126.62 1wmx s PHE 160 Ca -0.01 -0.36 -0.22 0.00 0.00 0.00 0.00 56.93 56.34 1wmx s PHE 160 Cb -0.04 -1.11 0.06 0.00 0.00 0.00 0.00 43.02 41.92 1wmx s PHE 160 CO -0.00 0.05 0.55 0.45 -0.00 0.00 0.00 175.22 176.27 1wmx s SER 161 N -0.94 -0.49 0.29 1.36 0.15 0.38 -0.80 113.70 113.65 1wmx s SER 161 Ca 0.08 0.03 -0.29 0.00 0.70 0.00 0.00 55.95 56.47 1wmx s SER 161 Cb -0.08 0.55 -0.13 0.00 -1.71 0.00 0.00 66.02 64.64 1wmx s SER 161 CO 0.01 -0.87 1.25 1.17 1.20 0.00 0.00 173.24 176.00 1wmx n LYS 162 N -0.08 1.85 0.02 5.44 4.81 -0.96 0.19 118.16 129.42 1wmx n LYS 162 Ca -0.17 0.65 -0.01 0.00 -0.87 0.00 0.00 58.31 57.91 1wmx n LYS 162 Cb 0.63 -2.20 -0.00 0.00 0.02 0.00 0.00 35.03 33.48 1wmx n LYS 162 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1wmx n ARG 163 N 1.13 0.03 -4.34 1.64 3.00 -1.26 -4.41 116.66 112.45 1wmx n ARG 163 Ca 0.09 0.01 -0.25 0.00 -0.00 0.00 0.00 57.85 57.70 1wmx n ARG 163 Cb 0.33 -0.35 -0.09 0.00 0.00 0.00 0.00 32.46 32.35 1wmx n ARG 163 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1wmx s TYR 164 N -1.60 2.55 -1.83 -0.14 2.02 -1.26 -5.04 117.35 112.05 1wmx s TYR 164 Ca -0.02 -0.50 0.29 0.00 -0.37 0.00 0.00 57.07 56.47 1wmx s TYR 164 Cb 0.00 -1.63 1.35 0.00 -0.40 0.00 0.00 41.96 41.28 1wmx s TYR 164 CO 0.02 0.41 1.92 0.00 -1.57 0.00 0.00 175.55 176.34 1wmx n ALA 165 N -1.01 2.71 -1.77 3.71 0.00 -1.26 -4.90 120.51 117.98 1wmx n ALA 165 Ca -0.04 -0.27 -0.40 0.00 0.00 0.00 0.00 53.44 52.73 1wmx n ALA 165 Cb 0.63 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.74 1wmx n ALA 165 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wmx s ASP 166 N -2.32 6.06 0.56 0.00 1.01 -1.26 -0.96 116.67 119.77 1wmx s ASP 166 Ca 0.34 2.86 -0.15 0.00 0.71 0.00 0.00 52.55 56.31 1wmx s ASP 166 Cb 0.21 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.42 1wmx s ASP 166 CO 0.43 -1.04 1.01 -2.16 0.21 0.00 0.00 175.17 173.62 1wmx s PRO 167 N -2.34 3.72 0.12 8.23 0.04 -1.26 -4.76 135.00 138.75 1wmx s PRO 167 Ca 0.59 0.95 -0.26 0.00 0.04 0.00 0.00 61.00 62.32 1wmx s PRO 167 Cb -0.43 -2.10 0.08 0.00 0.04 0.00 0.00 34.50 32.10 1wmx s PRO 167 CO 0.55 -0.46 1.06 -0.59 0.04 0.00 0.00 177.00 177.60 1wmx s PHE 168 N -2.75 -0.06 -0.11 0.56 -0.12 0.34 -4.99 117.98 110.84 1wmx s PHE 168 Ca 0.59 -0.22 -0.07 0.00 -0.05 0.00 0.00 56.93 57.18 1wmx s PHE 168 Cb -0.11 0.63 0.04 0.00 -0.63 0.00 0.00 43.02 42.95 1wmx s PHE 168 CO 0.38 -0.71 0.28 0.99 -0.05 0.00 0.00 175.22 176.11 1wmx s THR 169 N -2.80 -0.03 0.12 -4.49 2.01 -1.26 -0.52 115.64 108.67 1wmx s THR 169 Ca 0.15 0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 1wmx s THR 169 Cb -0.00 -0.42 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1wmx s THR 169 CO 0.02 0.04 0.03 0.68 -0.69 0.00 0.00 174.62 174.69 1wmx s VAL 170 N 0.93 0.21 -0.03 3.82 -7.23 -0.96 -1.04 120.40 116.10 1wmx s VAL 170 Ca -0.06 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.23 1wmx s VAL 170 Cb -0.07 -1.96 -0.00 0.00 0.56 0.00 0.00 36.38 34.91 1wmx s VAL 170 CO -0.06 -0.57 -0.12 0.26 -0.31 0.00 0.00 175.10 174.31 1wmx s TRP 171 N -3.97 1.15 0.23 2.82 0.51 -0.85 -1.72 118.94 117.11 1wmx s TRP 171 Ca 0.21 -0.28 0.08 0.00 -2.12 0.00 0.00 56.10 53.99 1wmx s TRP 171 Cb 0.07 -0.79 -0.04 0.00 -0.81 0.00 0.00 33.47 31.91 1wmx s TRP 171 CO -0.00 -0.09 0.03 -0.06 -0.51 0.00 0.00 176.95 176.31 1wmx s PHE 172 N 0.05 2.82 -0.03 -1.98 0.40 0.70 -2.93 117.98 117.01 1wmx s PHE 172 Ca -0.01 -0.17 -0.15 0.00 -0.60 0.00 0.00 56.93 55.99 1wmx s PHE 172 Cb -0.08 -1.30 0.03 0.00 0.51 0.00 0.00 43.02 42.17 1wmx s PHE 172 CO 0.01 0.56 0.33 0.45 0.70 0.00 0.00 175.22 177.27 1wmx s SER 173 N -3.40 -0.23 -1.28 1.36 0.15 -0.45 -1.19 113.70 108.66 1wmx s SER 173 Ca 0.30 0.19 -0.23 0.00 0.70 0.00 0.00 55.95 56.91 1wmx s SER 173 Cb -0.08 0.37 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1wmx s SER 173 CO 0.20 -0.42 0.55 -0.67 1.20 0.00 0.00 173.24 174.10 1wmx n ASP 174 N 1.44 -3.04 -4.66 5.45 4.64 -1.25 -1.45 116.55 117.67 1wmx n ASP 174 Ca -0.21 -1.22 -0.42 0.00 -1.38 0.00 0.00 54.79 51.56 1wmx n ASP 174 Cb 0.56 -2.08 -0.03 0.00 -1.04 0.00 0.00 41.12 38.53 1wmx n ASP 174 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1wmx s ILE 175 N -3.72 4.80 0.29 5.18 1.01 -0.75 -4.02 121.20 123.99 1wmx s ILE 175 Ca 0.36 1.81 -0.19 0.00 0.00 0.00 0.00 60.65 62.62 1wmx s ILE 175 Cb -0.18 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.10 1wmx s ILE 175 CO 0.95 -0.06 0.70 -1.59 0.00 0.00 0.00 174.94 174.95 1wmx s LYS 176 N 2.58 1.83 -0.19 2.79 0.00 0.01 0.22 119.74 126.98 1wmx s LYS 176 Ca 0.41 -1.09 -0.03 0.00 0.00 0.00 0.00 55.97 55.26 1wmx s LYS 176 Cb -0.16 0.60 -0.02 0.00 0.00 0.00 0.00 37.83 38.25 1wmx s LYS 176 CO 0.10 -0.84 -0.05 0.42 0.00 0.00 0.00 175.35 174.99 1wmx s ILE 177 N -3.69 3.57 0.16 3.79 -1.09 0.16 -0.62 121.20 123.47 1wmx s ILE 177 Ca 0.13 -0.45 0.07 0.00 -2.23 0.00 0.00 60.65 58.17 1wmx s ILE 177 Cb -0.05 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 38.20 1wmx s ILE 177 CO 0.08 0.45 0.01 0.42 -1.23 0.00 0.00 174.94 174.67 1wmx s THR 178 N 0.96 3.83 -0.11 2.92 -4.23 -0.02 -0.99 115.64 118.00 1wmx s THR 178 Ca -0.00 -1.31 -0.00 0.00 -1.18 0.00 0.00 61.69 59.20 1wmx s THR 178 Cb -0.15 -2.91 -0.25 0.00 1.34 0.00 0.00 72.50 70.54 1wmx s THR 178 CO 0.01 -0.06 0.40 -1.54 -0.54 0.00 0.00 174.62 172.89 1wmx n SER 179 N 0.01 1.72 0.00 3.99 3.41 -1.26 -1.44 113.62 120.05 1wmx n SER 179 Ca -0.10 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1wmx n SER 179 Cb 0.54 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1wmx n SER 179 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1wmx n GLU 180 N -3.33 3.52 -5.23 4.33 0.28 -1.26 -0.94 120.64 118.00 1wmx n GLU 180 Ca -0.29 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.41 1wmx n GLU 180 Cb 1.05 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.76 1wmx n GLU 180 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1wmx s ASP 181 N 1.00 2.95 0.42 -1.84 3.68 -1.26 -4.52 116.67 117.09 1wmx s ASP 181 Ca 0.00 -0.48 0.04 0.00 2.13 0.00 0.00 52.55 54.25 1wmx s ASP 181 Cb 0.00 -0.60 -0.02 0.00 -1.45 0.00 0.00 42.92 40.85 1wmx s ASP 181 CO 0.00 0.27 0.16 0.54 0.13 0.00 0.00 175.17 176.27 1wmx s ASN 182 N -0.33 2.77 -0.38 -0.34 4.22 -1.26 -5.08 114.94 114.53 1wmx s ASN 182 Ca 0.02 -1.74 0.10 0.00 -2.14 0.00 0.00 52.86 49.11 1wmx s ASN 182 Cb -0.12 0.60 0.32 0.00 1.28 0.00 0.00 41.25 43.32 1wmx s ASN 182 CO 0.02 -1.00 0.70 1.21 -2.04 0.00 0.00 177.10 175.99 1wmx n GLU 183 N -0.92 0.89 -0.03 3.55 2.13 -1.26 -5.12 120.64 119.88 1wmx n GLU 183 Ca -0.05 -3.20 -0.01 0.00 0.66 0.00 0.00 57.16 54.57 1wmx n GLU 183 Cb 0.64 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.84 1wmx n GLU 183 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1wmx n LYS 184 N 0.64 0.00 -1.52 5.31 0.00 -1.26 -4.92 118.16 116.41 1wmx n LYS 184 Ca 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.52 1wmx n LYS 184 Cb 0.62 -0.03 0.00 0.00 -0.00 0.00 0.00 35.03 35.63 1wmx n LYS 184 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1wmx n SER 185 N 0.11 -0.38 -3.77 -5.58 2.88 -1.26 -5.16 113.62 100.46 1wmx n SER 185 Ca -0.00 -1.28 -0.11 0.00 -1.33 0.00 0.00 58.87 56.15 1wmx n SER 185 Cb 0.02 0.64 -0.07 0.00 -0.75 0.00 0.00 64.21 64.04 1wmx n SER 185 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wmx s ALA 186 N -1.24 -0.60 0.88 -1.46 0.00 -1.26 -5.13 121.76 112.96 1wmx s ALA 186 Ca 0.03 -0.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.75 1wmx s ALA 186 Cb -0.01 0.37 0.12 0.00 0.00 0.00 0.00 23.12 23.60 1wmx s ALA 186 CO 0.02 -0.44 1.10 -2.30 0.00 0.00 0.00 175.76 174.15 1wmx n PRO 187 N 0.43 -0.23 -2.55 0.00 -0.01 -1.26 -4.88 135.00 126.50 1wmx n PRO 187 Ca -0.18 0.00 -0.43 0.00 -0.01 0.00 0.00 63.50 62.89 1wmx n PRO 187 Cb 0.60 -2.35 0.01 0.00 -0.01 0.00 0.00 33.50 31.75 1wmx n PRO 187 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1wmx n ALA 188 N -3.87 5.30 -2.72 3.55 0.00 -1.26 -4.86 120.51 116.65 1wmx n ALA 188 Ca 0.12 -4.47 -0.13 0.00 0.00 0.00 0.00 53.44 48.96 1wmx n ALA 188 Cb 0.52 -2.78 -0.07 0.00 0.00 0.00 0.00 19.45 17.12 1wmx n ALA 188 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1wmx s ILE 189 N -0.61 0.00 0.28 0.00 1.10 -1.26 -5.19 121.20 115.52 1wmx s ILE 189 Ca 0.37 -1.70 0.09 0.00 -0.51 0.00 0.00 60.65 58.90 1wmx s ILE 189 Cb 0.08 -2.45 -0.04 0.00 0.15 0.00 0.00 42.46 40.20 1wmx s ILE 189 CO 0.04 0.00 0.06 -0.54 -2.11 0.00 0.00 174.94 172.39 1wmx s LYS 190 N -3.71 2.42 0.45 3.50 1.02 -1.26 -5.02 119.74 117.14 1wmx s LYS 190 Ca 0.31 -1.38 0.22 0.00 0.02 0.00 0.00 55.97 55.15 1wmx s LYS 190 Cb 0.02 -2.24 1.05 0.00 -0.52 0.00 0.00 37.83 36.15 1wmx s LYS 190 CO 0.15 0.32 1.91 -0.39 -0.92 0.00 0.00 175.35 176.43 1wmx h VAL 191 N 1.75 0.76 -0.48 3.17 -1.51 -2.00 -2.30 116.25 115.64 1wmx h VAL 191 Ca -0.45 -0.98 -0.32 0.00 -1.23 0.00 0.00 66.70 63.73 1wmx h VAL 191 Cb 1.25 1.60 -0.21 0.00 -2.13 0.00 0.00 31.29 31.80 1wmx h VAL 191 CO 0.61 0.23 -0.27 -0.46 -1.23 0.00 0.00 177.57 176.45 1wmx n ASN 192 N -3.67 3.61 -4.61 4.19 2.04 -1.26 -4.61 115.26 110.95 1wmx n ASN 192 Ca -0.01 -3.80 -0.38 0.00 -0.44 0.00 0.00 54.58 49.94 1wmx n ASN 192 Cb 0.36 -0.57 0.05 0.00 -2.53 0.00 0.00 39.78 37.09 1wmx n ASN 192 CO 0.00 0.00 0.00 1.67 -0.44 0.00 0.00 177.26 178.49 1wmx n GLN 193 N -0.98 0.96 -0.15 -3.83 -0.06 -0.87 -1.17 117.38 111.28 1wmx n GLN 193 Ca 0.37 0.37 0.00 0.00 -2.00 0.00 0.00 57.00 55.74 1wmx n GLN 193 Cb 0.92 -2.15 0.00 0.00 -4.06 0.00 0.00 30.24 24.96 1wmx n GLN 193 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1wmx n LEU 194 N -0.57 0.00 0.00 1.69 4.32 -1.26 -4.25 117.00 116.93 1wmx n LEU 194 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 1wmx n LEU 194 Cb 0.46 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.26 1wmx n LEU 194 CO 0.50 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.28 1wmx n GLY 195 N -2.00 1.72 3.98 -0.72 0.00 -0.32 -4.82 105.19 103.03 1wmx n GLY 195 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1wmx n GLY 195 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1wmx s PHE 196 N 0.00 2.87 -0.18 1.61 -0.71 -1.26 -4.86 117.98 115.45 1wmx s PHE 196 Ca 0.00 -0.06 0.00 0.00 -1.04 0.00 0.00 56.93 55.83 1wmx s PHE 196 Cb 0.00 -2.68 0.04 0.00 -1.21 0.00 0.00 43.02 39.17 1wmx s PHE 196 CO 0.00 -0.78 -0.10 0.42 -1.34 0.00 0.00 175.22 173.42 1wmx s ILE 197 N -2.69 1.51 -2.00 -4.49 1.01 -1.26 -4.57 121.20 108.71 1wmx s ILE 197 Ca 0.57 -0.85 0.19 0.00 0.00 0.00 0.00 60.65 60.56 1wmx s ILE 197 Cb -0.10 -1.58 0.55 0.00 0.01 0.00 0.00 42.46 41.34 1wmx s ILE 197 CO 0.37 0.22 1.54 -0.81 0.00 0.00 0.00 174.94 176.27