#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wx5 s LEU 2 N 0.00 2.49 0.63 0.00 1.43 -1.26 -4.50 118.68 117.47 2wx5 s LEU 2 Ca 0.00 -0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 52.61 2wx5 s LEU 2 Cb 0.00 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 2wx5 s LEU 2 CO 0.00 0.30 1.00 0.18 0.23 0.00 0.00 176.35 178.06 2wx5 n LEU 3 N 2.59 3.99 -0.34 1.79 4.77 -1.26 -4.89 117.00 123.64 2wx5 n LEU 3 Ca -0.17 0.78 0.18 0.00 -0.03 0.00 0.00 56.01 56.77 2wx5 n LEU 3 Cb 0.52 -1.41 0.40 0.00 -2.33 0.00 0.00 43.42 40.59 2wx5 n LEU 3 CO 0.26 -1.81 1.17 0.77 -1.33 0.00 0.00 177.39 176.45 2wx5 h SER 4 N 0.33 0.66 -0.08 -1.43 4.64 -2.08 -1.79 113.55 113.81 2wx5 h SER 4 Ca -0.49 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2wx5 h SER 4 Cb 1.36 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 2wx5 h SER 4 CO 0.50 0.12 0.00 2.22 -0.87 0.00 0.00 176.83 178.80 2wx5 n PHE 5 N -4.84 0.09 0.12 4.77 1.16 -1.26 -4.62 117.46 112.88 2wx5 n PHE 5 Ca 0.26 -0.04 -0.00 0.00 -1.87 0.00 0.00 57.45 55.80 2wx5 n PHE 5 Cb 0.75 0.00 0.28 0.00 -1.61 0.00 0.00 39.48 38.90 2wx5 n PHE 5 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 2wx5 h GLU 6 N 3.44 0.16 -0.52 3.97 4.81 -1.67 -3.37 114.58 121.40 2wx5 h GLU 6 Ca 0.00 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 2wx5 h GLU 6 Cb 0.74 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2wx5 h GLU 6 CO 0.00 0.51 0.08 -0.09 -0.73 0.00 0.00 179.01 178.79 2wx5 h ARG 7 N 0.14 0.82 0.00 1.92 2.43 -1.82 -0.07 114.38 117.81 2wx5 h ARG 7 Ca 0.02 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2wx5 h ARG 7 Cb 0.72 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2wx5 h ARG 7 CO 0.05 0.77 0.16 1.57 -1.51 0.00 0.00 179.97 181.02 2wx5 h LYS 8 N 0.78 0.00 0.00 0.20 2.10 -1.96 -1.45 116.57 116.24 2wx5 h LYS 8 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2wx5 h LYS 8 Cb 0.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.68 2wx5 h LYS 8 CO 0.01 0.00 -1.06 0.66 -2.00 0.00 0.00 179.45 177.06 2wx5 n TYR 9 N -2.76 0.48 -1.92 0.07 4.01 -0.04 -4.61 117.16 112.39 2wx5 n TYR 9 Ca -0.02 0.14 -0.41 0.00 -0.16 0.00 0.00 57.90 57.45 2wx5 n TYR 9 Cb 0.21 -0.63 -0.00 0.00 -0.31 0.00 0.00 39.34 38.61 2wx5 n TYR 9 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2wx5 n ARG 10 N -2.22 3.60 -3.08 -0.72 1.74 -0.55 -4.90 116.66 110.54 2wx5 n ARG 10 Ca 0.01 -3.02 -0.18 0.00 -0.77 0.00 0.00 57.85 53.90 2wx5 n ARG 10 Cb 0.48 -2.95 0.01 0.00 -1.02 0.00 0.00 32.46 28.98 2wx5 n ARG 10 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2wx5 s VAL 11 N 1.21 3.20 0.56 1.55 -7.23 -1.26 -5.09 120.40 113.34 2wx5 s VAL 11 Ca 0.50 -0.98 -0.18 0.00 -1.81 0.00 0.00 61.98 59.51 2wx5 s VAL 11 Cb 0.14 -3.08 -0.05 0.00 0.56 0.00 0.00 36.38 33.95 2wx5 s VAL 11 CO -0.05 -0.03 1.07 -2.84 -0.31 0.00 0.00 175.10 172.94 2wx5 s PRO 12 N -4.34 3.42 0.00 4.82 0.02 -1.26 -5.01 135.00 132.65 2wx5 s PRO 12 Ca 0.53 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.91 2wx5 s PRO 12 Cb -0.10 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.38 2wx5 s PRO 12 CO 0.33 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.66 2wx5 n GLY 13 N -0.47 2.77 0.44 0.52 0.00 -1.26 -5.05 105.19 102.14 2wx5 n GLY 13 Ca 0.10 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.09 2wx5 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wx5 n GLY 14 N -0.45 0.44 3.75 -0.02 0.00 -1.26 -4.40 105.19 103.25 2wx5 n GLY 14 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2wx5 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wx5 s THR 15 N -2.15 2.43 -0.14 2.61 -4.23 -1.26 -4.68 115.64 108.22 2wx5 s THR 15 Ca 0.00 0.28 0.08 0.00 -1.18 0.00 0.00 61.69 60.87 2wx5 s THR 15 Cb 0.00 -3.12 -0.23 0.00 1.34 0.00 0.00 72.50 70.49 2wx5 s THR 15 CO 0.00 -0.04 0.29 0.18 -0.54 0.00 0.00 174.62 174.51 2wx5 n LEU 16 N -1.45 1.44 -3.77 4.79 4.77 -1.26 -4.91 117.00 116.60 2wx5 n LEU 16 Ca 0.13 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.15 2wx5 n LEU 16 Cb 0.48 -0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 2wx5 n LEU 16 CO 0.47 0.62 -0.23 -0.69 -1.33 0.00 0.00 177.39 176.23 2wx5 s VAL 17 N -2.55 -0.04 0.00 4.08 1.01 -1.26 -4.92 120.40 116.72 2wx5 s VAL 17 Ca -0.15 0.13 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2wx5 s VAL 17 Cb 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.24 2wx5 s VAL 17 CO 0.77 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.54 2wx5 n GLY 18 N 3.87 0.85 7.00 4.51 0.00 -1.26 -4.38 105.19 115.77 2wx5 n GLY 18 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2wx5 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wx5 n GLY 19 N -0.77 3.21 0.78 -0.02 0.00 -1.26 -2.38 105.19 104.74 2wx5 n GLY 19 Ca 0.00 0.24 0.10 0.00 0.00 0.00 0.00 46.02 46.35 2wx5 n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wx5 n ASN 20 N 5.26 2.31 -0.18 1.61 6.94 -1.26 -4.58 115.26 125.36 2wx5 n ASN 20 Ca 0.00 -1.88 -0.09 0.00 -0.02 0.00 0.00 54.58 52.60 2wx5 n ASN 20 Cb 0.00 -0.21 0.01 0.00 -2.36 0.00 0.00 39.78 37.22 2wx5 n ASN 20 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2wx5 h LEU 21 N 2.83 0.79 -3.02 -4.53 5.85 -1.83 -2.93 115.31 112.46 2wx5 h LEU 21 Ca 0.00 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 2wx5 h LEU 21 Cb 0.63 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2wx5 h LEU 21 CO 0.00 0.82 -0.18 0.49 -0.34 0.00 0.00 178.44 179.23 2wx5 n PHE 22 N -4.43 0.06 -2.51 1.25 3.01 -1.26 -4.92 117.46 108.66 2wx5 n PHE 22 Ca 0.02 -1.19 -0.42 0.00 1.01 0.00 0.00 57.45 56.87 2wx5 n PHE 22 Cb 0.23 -0.20 -0.01 0.00 -0.01 0.00 0.00 39.48 39.50 2wx5 n PHE 22 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2wx5 n ASP 23 N -1.28 4.75 -3.48 4.37 -0.08 -1.11 -1.47 116.55 118.24 2wx5 n ASP 23 Ca 0.18 -2.90 -0.02 0.00 -1.51 0.00 0.00 54.79 50.54 2wx5 n ASP 23 Cb 0.68 -1.75 0.01 0.00 2.34 0.00 0.00 41.12 42.40 2wx5 n ASP 23 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2wx5 s PHE 24 N 4.80 0.04 0.24 -0.67 -0.12 -1.26 -5.04 117.98 115.97 2wx5 s PHE 24 Ca 0.55 -0.37 0.11 0.00 -0.05 0.00 0.00 56.93 57.17 2wx5 s PHE 24 Cb 0.04 0.67 -0.05 0.00 -0.63 0.00 0.00 43.02 43.05 2wx5 s PHE 24 CO 0.08 -0.79 -0.21 -1.58 -0.05 0.00 0.00 175.22 172.67 2wx5 s TRP 25 N -2.28 2.25 -0.40 3.49 0.51 -1.26 -1.83 118.94 119.43 2wx5 s TRP 25 Ca 0.21 -0.36 0.02 0.00 -2.12 0.00 0.00 56.10 53.86 2wx5 s TRP 25 Cb -0.02 -1.04 0.12 0.00 -0.81 0.00 0.00 33.47 31.72 2wx5 s TRP 25 CO 0.04 0.60 0.16 0.08 -0.51 0.00 0.00 176.95 177.31 2wx5 s VAL 26 N -2.16 1.77 0.00 4.03 1.01 0.66 -4.94 120.40 120.77 2wx5 s VAL 26 Ca 0.25 -2.38 0.00 0.00 0.00 0.00 0.00 61.98 59.85 2wx5 s VAL 26 Cb -0.06 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.05 2wx5 s VAL 26 CO 0.12 -0.74 0.00 0.61 0.00 0.00 0.00 175.10 175.09 2wx5 n GLY 27 N 3.96 1.70 0.17 4.51 0.00 -1.26 -2.87 105.19 111.40 2wx5 n GLY 27 Ca 0.04 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.70 2wx5 n GLY 27 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wx5 h PRO 28 N 0.00 0.00 -5.76 1.61 0.11 -1.95 -3.46 132.00 122.55 2wx5 h PRO 28 Ca 0.00 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.52 2wx5 h PRO 28 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 2wx5 h PRO 28 CO 0.00 0.00 0.21 -0.06 -0.21 0.00 0.00 178.00 177.94 2wx5 s PHE 29 N -3.29 3.39 0.48 0.65 0.08 -1.14 -5.02 117.98 113.14 2wx5 s PHE 29 Ca 0.06 1.05 -0.22 0.00 0.12 0.00 0.00 56.93 57.94 2wx5 s PHE 29 Cb 0.09 -2.87 -0.07 0.00 -0.57 0.00 0.00 43.02 39.60 2wx5 s PHE 29 CO 0.56 -0.19 1.17 -0.47 -0.10 0.00 0.00 175.22 176.19 2wx5 s TYR 30 N 1.97 2.82 0.00 0.36 5.04 -1.26 -0.25 117.35 126.03 2wx5 s TYR 30 Ca 0.32 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.48 2wx5 s TYR 30 Cb -0.16 -3.38 0.00 0.00 0.35 0.00 0.00 41.96 38.77 2wx5 s TYR 30 CO 0.11 -1.57 0.00 0.28 -1.34 0.00 0.00 175.55 173.03 2wx5 n VAL 31 N -0.63 0.00 0.00 3.14 0.31 -0.76 -4.86 118.33 115.54 2wx5 n VAL 31 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2wx5 n VAL 31 Cb 0.48 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 2wx5 n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wx5 n GLY 32 N 3.48 -1.18 0.25 2.92 0.00 -0.54 -1.88 105.19 108.23 2wx5 n GLY 32 Ca 0.00 -1.61 0.03 0.00 0.00 0.00 0.00 46.02 44.44 2wx5 n GLY 32 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wx5 h PHE 33 N 0.00 0.24 0.00 1.61 3.57 -1.81 -1.74 116.94 118.80 2wx5 h PHE 33 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2wx5 h PHE 33 Cb 0.00 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2wx5 h PHE 33 CO 0.00 -0.05 0.00 1.19 -2.23 0.00 0.00 178.31 177.22 2wx5 n PHE 34 N -5.14 0.83 -0.04 0.41 3.72 -1.26 -0.69 117.46 115.29 2wx5 n PHE 34 Ca 0.11 0.27 -0.17 0.00 -0.05 0.00 0.00 57.45 57.62 2wx5 n PHE 34 Cb 0.38 -0.94 -0.06 0.00 -0.94 0.00 0.00 39.48 37.92 2wx5 n PHE 34 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2wx5 h GLY 35 N 3.76 0.91 0.81 1.37 0.00 -0.59 -1.18 103.07 108.15 2wx5 h GLY 35 Ca 0.00 -1.22 -0.01 0.00 0.00 0.00 0.00 47.33 46.11 2wx5 h GLY 35 CO 0.00 1.09 -0.05 -2.08 0.00 0.00 0.00 176.54 175.50 2wx5 h VAL 36 N 0.59 1.01 -0.32 4.60 2.07 -1.11 -1.61 116.25 121.48 2wx5 h VAL 36 Ca -0.03 -0.43 0.07 0.00 0.82 0.00 0.00 66.70 67.13 2wx5 h VAL 36 Cb 1.33 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 32.31 2wx5 h VAL 36 CO 0.15 0.10 -0.18 0.00 0.02 0.00 0.00 177.57 177.66 2wx5 h ALA 37 N 0.53 0.04 0.00 1.67 0.00 -0.95 -1.16 119.26 119.39 2wx5 h ALA 37 Ca -0.01 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2wx5 h ALA 37 Cb 0.28 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2wx5 h ALA 37 CO 0.02 -0.58 -0.24 1.79 0.00 0.00 0.00 179.25 180.25 2wx5 h THR 38 N -0.15 0.82 0.13 0.00 1.35 -1.14 -2.03 112.91 111.90 2wx5 h THR 38 Ca 0.16 -0.94 -0.01 0.00 -0.55 0.00 0.00 66.41 65.08 2wx5 h THR 38 Cb 0.40 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2wx5 h THR 38 CO -0.41 0.23 -0.06 0.15 -0.25 0.00 0.00 175.52 175.18 2wx5 h PHE 39 N 0.00 -0.16 0.43 4.73 3.57 -0.39 -0.12 116.94 124.99 2wx5 h PHE 39 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2wx5 h PHE 39 Cb 0.55 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2wx5 h PHE 39 CO 0.00 0.18 -0.44 0.35 -2.23 0.00 0.00 178.31 176.17 2wx5 h PHE 40 N -0.52 -1.21 -0.86 0.41 3.57 -0.84 0.40 116.94 117.88 2wx5 h PHE 40 Ca -0.02 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.57 2wx5 h PHE 40 Cb 0.41 0.47 -0.07 0.00 2.79 0.00 0.00 35.95 39.55 2wx5 h PHE 40 CO 0.04 -0.60 0.52 0.74 -2.23 0.00 0.00 178.31 176.78 2wx5 h PHE 41 N -0.89 0.95 -0.14 0.41 0.04 -1.47 0.07 116.94 115.92 2wx5 h PHE 41 Ca -0.04 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 2wx5 h PHE 41 Cb 0.79 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 2wx5 h PHE 41 CO -0.23 0.44 -0.06 0.00 -0.60 0.00 0.00 178.31 177.85 2wx5 h ALA 42 N 1.44 0.19 -0.55 2.45 0.00 0.10 -2.06 119.26 120.83 2wx5 h ALA 42 Ca 0.40 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2wx5 h ALA 42 Cb 0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2wx5 h ALA 42 CO -0.21 -0.03 -0.09 0.00 0.00 0.00 0.00 179.25 178.92 2wx5 h ALA 43 N 0.67 0.75 0.35 0.00 0.00 0.04 -1.46 119.26 119.61 2wx5 h ALA 43 Ca 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 2wx5 h ALA 43 Cb 0.51 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2wx5 h ALA 43 CO 0.02 0.65 -0.41 1.25 0.00 0.00 0.00 179.25 180.76 2wx5 h LEU 44 N 0.91 -1.15 -1.11 0.00 5.85 -0.95 -1.59 115.31 117.27 2wx5 h LEU 44 Ca 0.14 0.10 0.33 0.00 0.84 0.00 0.00 57.88 59.29 2wx5 h LEU 44 Cb 0.65 0.39 -0.14 0.00 0.37 0.00 0.00 40.66 41.93 2wx5 h LEU 44 CO 0.05 -0.52 0.63 1.23 -0.34 0.00 0.00 178.44 179.48 2wx5 h GLY 45 N -0.78 1.84 0.57 3.75 0.00 -1.33 0.25 103.07 107.38 2wx5 h GLY 45 Ca -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2wx5 h GLY 45 CO -0.08 -0.43 -0.02 -2.22 0.00 0.00 0.00 176.54 173.79 2wx5 h ILE 46 N 0.30 1.25 -0.05 2.60 2.04 -0.63 -1.99 117.51 121.03 2wx5 h ILE 46 Ca 0.73 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 65.63 2wx5 h ILE 46 Cb 1.78 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.74 2wx5 h ILE 46 CO -0.54 0.24 -0.06 0.40 0.00 0.00 0.00 178.15 178.20 2wx5 h ILE 47 N -0.48 0.00 -1.34 -0.67 2.04 -0.64 0.29 117.51 116.71 2wx5 h ILE 47 Ca -0.01 0.00 0.39 0.00 1.00 0.00 0.00 64.86 66.24 2wx5 h ILE 47 Cb 0.44 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 2wx5 h ILE 47 CO 0.01 0.00 1.16 -0.07 0.00 0.00 0.00 178.15 179.25 2wx5 h LEU 48 N -0.03 0.00 0.08 1.44 3.38 -0.57 0.14 115.31 119.74 2wx5 h LEU 48 Ca 0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 2wx5 h LEU 48 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2wx5 h LEU 48 CO -0.06 0.00 -1.17 0.40 0.09 0.00 0.00 178.44 177.70 2wx5 h ILE 49 N 0.00 1.13 0.00 1.22 2.04 -0.20 -2.78 117.51 118.92 2wx5 h ILE 49 Ca 0.64 -2.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.12 2wx5 h ILE 49 Cb 2.95 2.74 -0.00 0.00 -0.74 0.00 0.00 36.82 41.76 2wx5 h ILE 49 CO -0.01 0.62 -0.10 0.00 0.00 0.00 0.00 178.15 178.66 2wx5 h ALA 50 N -0.12 1.68 0.04 1.87 0.00 0.14 -1.29 119.26 121.57 2wx5 h ALA 50 Ca -0.26 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2wx5 h ALA 50 Cb 1.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2wx5 h ALA 50 CO 0.01 0.13 -0.02 2.35 0.00 0.00 0.00 179.25 181.71 2wx5 h TRP 51 N 0.00 -0.05 -0.31 0.00 -0.00 -0.91 -2.64 115.95 112.04 2wx5 h TRP 51 Ca -0.00 -0.00 0.09 0.00 -0.00 0.00 0.00 58.89 58.98 2wx5 h TRP 51 Cb 0.20 0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.36 2wx5 h TRP 51 CO 0.00 0.10 0.31 1.03 -0.00 0.00 0.00 178.44 179.88 2wx5 h SER 52 N -0.18 0.00 0.55 2.65 0.87 -1.06 -0.63 113.55 115.75 2wx5 h SER 52 Ca -0.01 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.44 2wx5 h SER 52 Cb 0.16 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 2wx5 h SER 52 CO 0.01 0.00 -0.55 0.00 -0.53 0.00 0.00 176.83 175.76 2wx5 h ALA 53 N 1.67 1.09 0.04 6.23 0.00 -0.90 -3.22 119.26 124.18 2wx5 h ALA 53 Ca 0.15 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2wx5 h ALA 53 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2wx5 h ALA 53 CO -0.00 0.68 -0.02 0.28 0.00 0.00 0.00 179.25 180.19 2wx5 h VAL 54 N 0.00 1.24 0.00 0.00 2.07 -0.99 -1.78 116.25 116.79 2wx5 h VAL 54 Ca -0.01 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.82 2wx5 h VAL 54 Cb 0.97 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2wx5 h VAL 54 CO 0.07 0.38 0.00 0.18 0.02 0.00 0.00 177.57 178.22 2wx5 n LEU 55 N -4.74 0.00 0.00 2.57 4.77 -1.00 -0.43 117.00 118.16 2wx5 n LEU 55 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2wx5 n LEU 55 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2wx5 n LEU 55 CO 0.27 0.00 0.04 0.00 -1.33 0.00 0.00 177.39 176.37 2wx5 n GLN 56 N -0.53 0.77 -2.92 3.23 10.64 -1.21 -5.05 117.38 122.30 2wx5 n GLN 56 Ca 0.00 -0.08 -0.10 0.00 -1.83 0.00 0.00 57.00 55.00 2wx5 n GLN 56 Cb 0.00 -0.42 0.03 0.00 -0.86 0.00 0.00 30.24 29.00 2wx5 n GLN 56 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2wx5 n GLY 57 N 0.13 0.34 3.01 2.61 0.00 0.43 -5.07 105.19 106.64 2wx5 n GLY 57 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 2wx5 n GLY 57 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2wx5 s THR 58 N -3.11 0.44 -0.60 2.61 -1.32 -0.70 -5.05 115.64 107.92 2wx5 s THR 58 Ca 0.23 -0.72 0.06 0.00 -1.21 0.00 0.00 61.69 60.06 2wx5 s THR 58 Cb -0.10 -0.47 0.27 0.00 -1.51 0.00 0.00 72.50 70.69 2wx5 s THR 58 CO 0.29 -0.20 0.76 0.79 -2.21 0.00 0.00 174.62 174.05 2wx5 n TRP 59 N 2.07 3.24 -3.58 9.09 7.02 -1.26 -4.36 117.44 129.66 2wx5 n TRP 59 Ca -0.19 -4.06 -0.08 0.00 -1.02 0.00 0.00 57.50 52.15 2wx5 n TRP 59 Cb 0.56 -0.52 -0.09 0.00 -2.42 0.00 0.00 31.31 28.84 2wx5 n TRP 59 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2wx5 s ASN 60 N -2.54 -0.19 0.21 -0.99 3.84 -1.26 -5.06 114.94 108.95 2wx5 s ASN 60 Ca 0.41 0.84 -0.09 0.00 0.21 0.00 0.00 52.86 54.23 2wx5 s ASN 60 Cb 0.18 1.33 0.31 0.00 -0.55 0.00 0.00 41.25 42.52 2wx5 s ASN 60 CO -0.05 -0.25 1.73 1.55 -2.79 0.00 0.00 177.10 177.30 2wx5 h PRO 61 N 8.17 0.36 0.00 0.43 0.13 -1.96 0.42 132.00 139.55 2wx5 h PRO 61 Ca -0.17 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2wx5 h PRO 61 Cb 1.12 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2wx5 h PRO 61 CO 0.15 0.24 0.00 1.04 -0.23 0.00 0.00 178.00 179.20 2wx5 n GLN 62 N -5.03 0.04 0.00 0.86 1.13 -1.26 -3.75 117.38 109.37 2wx5 n GLN 62 Ca 0.09 0.26 0.00 0.00 -1.94 0.00 0.00 57.00 55.42 2wx5 n GLN 62 Cb 0.31 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.16 2wx5 n GLN 62 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2wx5 n LEU 63 N -1.45 1.16 -4.57 1.08 4.77 0.25 -4.63 117.00 113.61 2wx5 n LEU 63 Ca 0.04 0.00 -0.53 0.00 -0.03 0.00 0.00 56.01 55.49 2wx5 n LEU 63 Cb 0.13 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 2wx5 n LEU 63 CO 0.11 0.19 0.81 -0.38 -1.33 0.00 0.00 177.39 176.79 2wx5 n ILE 64 N -2.09 0.15 -3.65 -0.08 5.41 0.12 -4.96 119.36 114.25 2wx5 n ILE 64 Ca 0.00 -0.04 -0.15 0.00 1.00 0.00 0.00 62.75 63.56 2wx5 n ILE 64 Cb 0.45 -0.67 -0.07 0.00 -0.71 0.00 0.00 39.64 38.64 2wx5 n ILE 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2wx5 s SER 65 N 0.32 -0.39 -0.15 4.38 0.15 -1.26 -4.30 113.70 112.45 2wx5 s SER 65 Ca 0.84 0.33 -0.03 0.00 0.70 0.00 0.00 55.95 57.79 2wx5 s SER 65 Cb -0.99 0.41 0.05 0.00 -1.71 0.00 0.00 66.02 63.78 2wx5 s SER 65 CO 0.49 -0.53 0.05 -0.69 1.20 0.00 0.00 173.24 173.76 2wx5 s VAL 66 N -1.38 0.23 0.02 4.45 1.01 -0.86 -4.93 120.40 118.94 2wx5 s VAL 66 Ca -0.12 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 2wx5 s VAL 66 Cb -0.03 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 2wx5 s VAL 66 CO 0.06 -0.11 0.30 -0.31 0.00 0.00 0.00 175.10 175.04 2wx5 s TYR 67 N 2.00 3.58 0.95 5.22 1.51 -1.26 -1.84 117.35 127.51 2wx5 s TYR 67 Ca 0.02 0.63 -0.13 0.00 -1.01 0.00 0.00 57.07 56.58 2wx5 s TYR 67 Cb -0.15 -2.04 0.03 0.00 -0.11 0.00 0.00 41.96 39.69 2wx5 s TYR 67 CO -0.07 0.59 0.36 -0.35 -1.11 0.00 0.00 175.55 174.97 2wx5 n PRO 68 N 1.08 -0.26 -1.63 -1.71 -0.04 -1.26 -4.20 135.00 126.96 2wx5 n PRO 68 Ca -0.10 -0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 62.90 2wx5 n PRO 68 Cb 0.53 -1.82 0.01 0.00 -0.04 0.00 0.00 33.50 32.17 2wx5 n PRO 68 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2wx5 n PRO 69 N -1.51 1.51 -0.98 0.54 -0.04 -1.24 -4.60 135.00 128.68 2wx5 n PRO 69 Ca 0.06 0.54 -0.33 0.00 -0.04 0.00 0.00 63.50 63.73 2wx5 n PRO 69 Cb 0.54 -2.11 0.13 0.00 -0.04 0.00 0.00 33.50 32.01 2wx5 n PRO 69 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wx5 n ALA 70 N -0.33 -0.85 -0.24 0.55 0.00 -1.26 -2.10 120.51 116.27 2wx5 n ALA 70 Ca 0.09 -0.42 0.32 0.00 0.00 0.00 0.00 53.44 53.43 2wx5 n ALA 70 Cb 0.38 -2.10 0.70 0.00 0.00 0.00 0.00 19.45 18.43 2wx5 n ALA 70 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wx5 h LEU 71 N -1.16 0.00 -0.91 0.00 3.38 -1.92 -1.66 115.31 113.04 2wx5 h LEU 71 Ca -0.45 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 2wx5 h LEU 71 Cb 1.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 2wx5 h LEU 71 CO 0.42 0.00 -0.13 -0.33 0.09 0.00 0.00 178.44 178.49 2wx5 h GLU 72 N 0.00 0.65 0.00 1.13 4.39 -2.00 -3.07 114.58 115.68 2wx5 h GLU 72 Ca 0.50 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.99 2wx5 h GLU 72 Cb 2.25 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.85 2wx5 h GLU 72 CO -0.01 0.76 0.00 0.66 -1.16 0.00 0.00 179.01 179.27 2wx5 n TYR 73 N -4.17 0.00 -4.47 4.33 4.02 -0.62 -4.97 117.16 111.27 2wx5 n TYR 73 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2wx5 n TYR 73 Cb 0.36 -0.46 0.00 0.00 -0.02 0.00 0.00 39.34 39.22 2wx5 n TYR 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wx5 n GLY 74 N -0.19 1.04 2.35 2.72 0.00 -1.16 -3.30 105.19 106.65 2wx5 n GLY 74 Ca 0.04 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 2wx5 n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wx5 n LEU 75 N 0.00 7.01 -4.53 0.99 4.77 -1.19 -3.11 117.00 120.94 2wx5 n LEU 75 Ca 0.00 -4.49 -0.26 0.00 -0.03 0.00 0.00 56.01 51.22 2wx5 n LEU 75 Cb 0.00 -0.84 -0.08 0.00 -2.33 0.00 0.00 43.42 40.17 2wx5 n LEU 75 CO 0.00 1.67 -0.18 -0.83 -1.33 0.00 0.00 177.39 176.72 2wx5 s GLY 76 N -2.16 2.71 1.45 -0.72 0.00 -1.21 -5.02 107.32 102.37 2wx5 s GLY 76 Ca 0.60 -1.13 -0.24 0.00 0.00 0.00 0.00 44.72 43.94 2wx5 s GLY 76 CO -0.06 -1.84 0.91 0.61 0.00 0.00 0.00 173.10 172.72 2wx5 n GLY 77 N -0.96 -3.80 3.64 0.20 0.00 -1.26 -4.99 105.19 98.02 2wx5 n GLY 77 Ca -0.06 -1.32 -0.10 0.00 0.00 0.00 0.00 46.02 44.54 2wx5 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wx5 s ALA 78 N -2.25 -1.95 0.18 4.61 0.00 -1.26 -4.97 121.76 116.12 2wx5 s ALA 78 Ca 0.68 1.92 -0.33 0.00 0.00 0.00 0.00 51.96 54.23 2wx5 s ALA 78 Cb -0.11 -1.41 -0.15 0.00 0.00 0.00 0.00 23.12 21.44 2wx5 s ALA 78 CO 0.56 -0.26 1.20 -2.30 0.00 0.00 0.00 175.76 174.96 2wx5 n PRO 79 N 2.36 1.28 -0.32 0.00 -0.02 -1.26 -3.31 135.00 133.72 2wx5 n PRO 79 Ca -0.13 0.46 -0.04 0.00 -2.02 0.00 0.00 63.50 61.77 2wx5 n PRO 79 Cb 0.56 -1.98 0.01 0.00 -0.02 0.00 0.00 33.50 32.07 2wx5 n PRO 79 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wx5 h LEU 80 N 3.49 -1.44 -0.24 2.45 4.07 -1.94 0.43 115.31 122.14 2wx5 h LEU 80 Ca -0.43 0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.81 2wx5 h LEU 80 Cb 1.33 0.72 0.00 0.00 1.08 0.00 0.00 40.66 43.80 2wx5 h LEU 80 CO 0.71 -0.29 0.00 0.00 -1.08 0.00 0.00 178.44 177.77 2wx5 n ALA 81 N -3.33 1.80 -2.31 1.53 0.00 -1.26 -2.43 120.51 114.50 2wx5 n ALA 81 Ca 0.07 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.26 2wx5 n ALA 81 Cb 0.37 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.50 2wx5 n ALA 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wx5 n LYS 82 N -1.81 3.37 0.00 0.00 5.02 0.15 -4.91 118.16 119.97 2wx5 n LYS 82 Ca 0.04 -4.29 0.00 0.00 -2.02 0.00 0.00 58.31 52.03 2wx5 n LYS 82 Cb 0.23 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 2wx5 n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wx5 n GLY 83 N -0.56 0.88 0.12 0.72 0.00 -1.09 -4.44 105.19 100.82 2wx5 n GLY 83 Ca 0.39 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.19 2wx5 n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wx5 h GLY 84 N 0.00 0.39 0.18 -0.02 0.00 -1.16 -3.14 103.07 99.32 2wx5 h GLY 84 Ca 0.00 -1.00 0.12 0.00 0.00 0.00 0.00 47.33 46.44 2wx5 h GLY 84 CO 0.00 0.88 0.17 1.41 0.00 0.00 0.00 176.54 179.00 2wx5 h LEU 85 N -0.23 0.07 -0.98 3.11 3.38 -1.73 -0.06 115.31 118.87 2wx5 h LEU 85 Ca -0.21 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2wx5 h LEU 85 Cb 1.80 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.65 2wx5 h LEU 85 CO 0.16 0.04 0.32 -0.25 0.09 0.00 0.00 178.44 178.79 2wx5 h TRP 86 N 0.31 1.05 -0.25 1.13 7.01 -1.81 0.16 115.95 123.55 2wx5 h TRP 86 Ca 0.34 -0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.25 2wx5 h TRP 86 Cb 0.50 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 27.23 2wx5 h TRP 86 CO -0.23 0.78 0.05 1.96 -2.79 0.00 0.00 178.44 178.22 2wx5 h GLN 87 N 1.04 0.41 -0.41 2.65 4.20 -0.99 -0.20 115.11 121.81 2wx5 h GLN 87 Ca 0.25 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.70 2wx5 h GLN 87 Cb 0.15 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2wx5 h GLN 87 CO -0.03 0.53 -0.33 0.82 -0.67 0.00 0.00 178.83 179.15 2wx5 h ILE 88 N 0.23 1.27 -0.50 2.54 2.04 -1.05 -1.90 117.51 120.15 2wx5 h ILE 88 Ca 0.08 -1.50 0.04 0.00 1.00 0.00 0.00 64.86 64.49 2wx5 h ILE 88 Cb 0.31 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 2wx5 h ILE 88 CO 0.00 0.51 0.25 0.40 0.00 0.00 0.00 178.15 179.31 2wx5 h ILE 89 N 0.78 0.95 -0.97 -0.67 2.04 -0.61 0.11 117.51 119.15 2wx5 h ILE 89 Ca 0.08 -0.17 0.05 0.00 1.00 0.00 0.00 64.86 65.82 2wx5 h ILE 89 Cb 0.92 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.36 2wx5 h ILE 89 CO 0.09 0.09 0.63 0.74 0.00 0.00 0.00 178.15 179.69 2wx5 h THR 90 N 0.49 1.13 -0.81 -0.27 2.02 -0.82 0.33 112.91 114.97 2wx5 h THR 90 Ca 0.22 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 2wx5 h THR 90 Cb 0.13 -0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.34 2wx5 h THR 90 CO -0.16 0.22 0.41 0.40 0.37 0.00 0.00 175.52 176.76 2wx5 h ILE 91 N 1.19 1.24 -0.07 3.11 2.04 -0.50 -2.09 117.51 122.42 2wx5 h ILE 91 Ca 0.40 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 2wx5 h ILE 91 Cb 0.07 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2wx5 h ILE 91 CO -0.14 0.29 0.01 0.00 0.00 0.00 0.00 178.15 178.30 2wx5 h ALA 93 N 0.76 -0.60 -0.74 0.00 0.00 -0.06 0.23 119.26 118.86 2wx5 h ALA 93 Ca 0.02 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.04 2wx5 h ALA 93 Cb 0.30 0.59 -0.13 0.00 0.00 0.00 0.00 17.79 18.55 2wx5 h ALA 93 CO 0.00 -0.90 0.02 1.15 0.00 0.00 0.00 179.25 179.52 2wx5 h THR 94 N -0.57 0.37 0.04 0.00 2.02 -1.45 0.11 112.91 113.43 2wx5 h THR 94 Ca 0.03 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2wx5 h THR 94 Cb 0.61 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 2wx5 h THR 94 CO -0.22 0.02 -0.02 1.23 0.37 0.00 0.00 175.52 176.90 2wx5 h GLY 95 N 0.12 -0.05 0.72 2.16 0.00 -0.45 -1.62 103.07 103.95 2wx5 h GLY 95 Ca 0.40 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.80 2wx5 h GLY 95 CO -0.64 -0.02 0.33 0.00 0.00 0.00 0.00 176.54 176.21 2wx5 h ALA 96 N 0.91 0.79 0.16 3.60 0.00 -0.15 -1.06 119.26 123.50 2wx5 h ALA 96 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2wx5 h ALA 96 Cb 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2wx5 h ALA 96 CO 0.01 0.01 -0.07 0.74 0.00 0.00 0.00 179.25 179.93 2wx5 h PHE 97 N 0.62 -0.19 -0.88 0.00 0.04 -0.64 0.38 116.94 116.27 2wx5 h PHE 97 Ca 0.26 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.03 2wx5 h PHE 97 Cb 0.14 0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 2wx5 h PHE 97 CO -0.08 0.22 0.56 0.28 -0.60 0.00 0.00 178.31 178.69 2wx5 h VAL 98 N -0.69 1.23 -0.90 -0.55 2.07 -1.36 -1.01 116.25 115.05 2wx5 h VAL 98 Ca -0.02 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2wx5 h VAL 98 Cb 0.50 -0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 2wx5 h VAL 98 CO 0.04 0.23 0.55 0.28 0.02 0.00 0.00 177.57 178.69 2wx5 h SER 99 N 1.20 1.07 -0.03 0.57 0.02 -1.18 -0.82 113.55 114.39 2wx5 h SER 99 Ca 0.32 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 61.16 2wx5 h SER 99 Cb -0.10 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.15 2wx5 h SER 99 CO -0.07 0.81 -0.10 -0.25 -1.14 0.00 0.00 176.83 176.09 2wx5 h TRP 100 N 1.23 0.30 -0.05 3.45 2.91 0.33 -0.59 115.95 123.53 2wx5 h TRP 100 Ca 0.32 -0.03 -0.24 0.00 1.13 0.00 0.00 58.89 60.08 2wx5 h TRP 100 Cb -0.07 -0.09 0.02 0.00 -0.51 0.00 0.00 29.16 28.51 2wx5 h TRP 100 CO -0.00 0.39 -0.89 0.00 -1.03 0.00 0.00 178.44 176.92 2wx5 h ALA 101 N 1.62 0.18 0.00 2.65 0.00 -0.86 -1.48 119.26 121.38 2wx5 h ALA 101 Ca 0.06 -0.64 -0.15 0.00 0.00 0.00 0.00 54.91 54.18 2wx5 h ALA 101 Cb 0.36 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2wx5 h ALA 101 CO 0.02 0.63 -0.71 -0.07 0.00 0.00 0.00 179.25 179.12 2wx5 h LEU 102 N 0.38 0.00 -0.37 0.00 3.38 -0.82 -2.12 115.31 115.75 2wx5 h LEU 102 Ca -0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2wx5 h LEU 102 Cb 1.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.27 2wx5 h LEU 102 CO 0.18 0.71 0.11 -0.09 0.09 0.00 0.00 178.44 179.44 2wx5 h ARG 103 N 0.00 0.58 -0.97 1.13 2.43 -1.11 -2.35 114.38 114.09 2wx5 h ARG 103 Ca -0.01 -0.13 0.16 0.00 -0.81 0.00 0.00 59.98 59.19 2wx5 h ARG 103 Cb 1.32 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 30.70 2wx5 h ARG 103 CO 0.09 0.60 0.61 0.93 -1.51 0.00 0.00 179.97 180.69 2wx5 h GLU 104 N 0.45 0.78 -0.11 0.20 5.08 -0.94 0.13 114.58 120.16 2wx5 h GLU 104 Ca 0.12 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2wx5 h GLU 104 Cb 0.26 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2wx5 h GLU 104 CO -0.00 0.51 -0.12 0.28 -1.00 0.00 0.00 179.01 178.68 2wx5 h VAL 105 N 0.80 1.16 0.10 3.13 2.07 -1.09 -1.36 116.25 121.05 2wx5 h VAL 105 Ca 0.51 -0.69 -0.26 0.00 0.82 0.00 0.00 66.70 67.08 2wx5 h VAL 105 Cb 0.74 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2wx5 h VAL 105 CO -0.28 0.21 -1.19 -0.33 0.02 0.00 0.00 177.57 176.00 2wx5 h GLU 106 N 0.17 0.23 -0.45 1.57 5.08 -0.27 -1.70 114.58 119.20 2wx5 h GLU 106 Ca 0.04 -0.38 -0.12 0.00 -1.00 0.00 0.00 59.36 57.89 2wx5 h GLU 106 Cb 0.33 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2wx5 h GLU 106 CO 0.02 1.18 -0.21 0.82 -1.00 0.00 0.00 179.01 179.82 2wx5 h ILE 107 N 0.06 1.27 -0.53 3.13 2.04 -0.98 -2.17 117.51 120.33 2wx5 h ILE 107 Ca -0.11 -1.36 0.11 0.00 1.00 0.00 0.00 64.86 64.50 2wx5 h ILE 107 Cb 1.92 1.18 -0.10 0.00 -0.74 0.00 0.00 36.82 39.09 2wx5 h ILE 107 CO 0.19 0.46 -0.08 0.00 0.00 0.00 0.00 178.15 178.72 2wx5 h ARG 109 N 0.04 0.88 -0.06 0.00 3.08 -0.88 -2.09 114.38 115.35 2wx5 h ARG 109 Ca 0.26 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 2wx5 h ARG 109 Cb 0.41 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 2wx5 h ARG 109 CO -0.51 0.86 -0.54 -0.22 -1.07 0.00 0.00 179.97 178.49 2wx5 h LYS 110 N 0.82 0.18 -0.02 0.04 3.64 -1.14 -3.23 116.57 116.87 2wx5 h LYS 110 Ca 0.16 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2wx5 h LYS 110 Cb 0.45 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2wx5 h LYS 110 CO 0.02 0.67 -0.06 1.28 -2.27 0.00 0.00 179.45 179.10 2wx5 n LEU 111 N -3.92 2.24 -0.25 5.20 4.77 -0.70 -4.93 117.00 119.41 2wx5 n LEU 111 Ca -0.02 -0.75 -0.03 0.00 -0.03 0.00 0.00 56.01 55.18 2wx5 n LEU 111 Cb 0.56 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.63 2wx5 n LEU 111 CO 0.43 0.38 -0.03 0.61 -1.33 0.00 0.00 177.39 177.45 2wx5 n GLY 112 N 1.29 0.52 4.01 -0.72 0.00 -0.84 -5.02 105.19 104.43 2wx5 n GLY 112 Ca 0.15 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 2wx5 n GLY 112 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2wx5 s ILE 113 N -1.71 2.09 0.63 -0.61 -4.36 -1.12 -5.05 121.20 111.07 2wx5 s ILE 113 Ca 0.00 -0.77 -0.12 0.00 -0.26 0.00 0.00 60.65 59.50 2wx5 s ILE 113 Cb 0.00 -2.32 -0.03 0.00 1.25 0.00 0.00 42.46 41.36 2wx5 s ILE 113 CO 0.00 0.00 1.04 -0.83 0.24 0.00 0.00 174.94 175.39 2wx5 s GLY 114 N -4.73 1.74 -0.05 6.27 0.00 -1.26 -4.73 107.32 104.57 2wx5 s GLY 114 Ca 0.65 0.03 0.02 0.00 0.00 0.00 0.00 44.72 45.42 2wx5 s GLY 114 CO 0.42 0.32 0.79 -1.72 0.00 0.00 0.00 173.10 172.91 2wx5 n TYR 115 N -2.68 0.37 -0.35 1.90 4.01 -1.26 -4.52 117.16 114.64 2wx5 n TYR 115 Ca 0.07 -0.23 -0.03 0.00 -0.16 0.00 0.00 57.90 57.55 2wx5 n TYR 115 Cb 0.54 -0.21 0.11 0.00 -0.31 0.00 0.00 39.34 39.47 2wx5 n TYR 115 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2wx5 h HIS 116 N 0.56 1.24 0.45 -0.72 3.86 -2.00 -2.91 115.15 115.63 2wx5 h HIS 116 Ca 0.02 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2wx5 h HIS 116 Cb 0.85 -0.41 0.00 0.00 1.06 0.00 0.00 27.41 28.92 2wx5 h HIS 116 CO 0.20 0.82 -0.24 0.82 0.86 0.00 0.00 177.93 180.39 2wx5 h ILE 117 N 1.30 0.00 -0.27 2.45 2.04 -1.99 -1.95 117.51 119.09 2wx5 h ILE 117 Ca 0.34 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.28 2wx5 h ILE 117 Cb -0.06 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.00 2wx5 h ILE 117 CO -0.06 0.00 0.22 1.55 0.00 0.00 0.00 178.15 179.86 2wx5 h PRO 118 N -0.63 0.00 -0.33 2.37 0.13 -1.88 0.14 132.00 131.80 2wx5 h PRO 118 Ca -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 2wx5 h PRO 118 Cb 0.49 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2wx5 h PRO 118 CO 0.09 0.00 0.12 0.35 -0.23 0.00 0.00 178.00 178.33 2wx5 h PHE 119 N 0.00 0.51 -0.47 1.56 3.57 -1.43 -1.54 116.94 119.15 2wx5 h PHE 119 Ca 0.13 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 2wx5 h PHE 119 Cb 0.58 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 2wx5 h PHE 119 CO 0.00 0.49 0.01 0.00 -2.23 0.00 0.00 178.31 176.59 2wx5 h ALA 120 N 0.96 0.63 -0.98 2.41 0.00 -0.00 -2.80 119.26 119.48 2wx5 h ALA 120 Ca 0.11 -0.27 0.11 0.00 0.00 0.00 0.00 54.91 54.86 2wx5 h ALA 120 Cb 0.21 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 2wx5 h ALA 120 CO -0.01 0.42 0.61 0.35 0.00 0.00 0.00 179.25 180.62 2wx5 h PHE 121 N 0.67 1.11 0.00 0.00 3.57 -0.94 -1.69 116.94 119.67 2wx5 h PHE 121 Ca 0.13 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2wx5 h PHE 121 Cb 0.49 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.88 2wx5 h PHE 121 CO 0.04 0.45 0.00 0.00 -2.23 0.00 0.00 178.31 176.57 2wx5 h ALA 122 N 1.52 1.00 -0.06 2.41 0.00 -0.99 0.23 119.26 123.36 2wx5 h ALA 122 Ca 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.35 2wx5 h ALA 122 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wx5 h ALA 122 CO -0.26 0.00 -0.14 0.74 0.00 0.00 0.00 179.25 179.60 2wx5 h PHE 123 N 0.00 0.26 -0.78 0.00 -1.00 -1.34 -1.58 116.94 112.49 2wx5 h PHE 123 Ca 0.00 -0.10 -0.00 0.00 2.81 0.00 0.00 57.97 60.68 2wx5 h PHE 123 Cb 0.07 -0.05 -0.04 0.00 3.61 0.00 0.00 35.95 39.55 2wx5 h PHE 123 CO 0.00 0.74 0.47 0.00 -1.61 0.00 0.00 178.31 177.91 2wx5 h ALA 124 N 0.47 1.36 -0.57 2.45 0.00 -0.61 -0.77 119.26 121.60 2wx5 h ALA 124 Ca 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2wx5 h ALA 124 Cb 0.73 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2wx5 h ALA 124 CO 0.03 0.55 -0.02 0.82 0.00 0.00 0.00 179.25 180.64 2wx5 h ILE 125 N 1.08 1.26 0.00 0.00 2.04 -1.32 -2.20 117.51 118.38 2wx5 h ILE 125 Ca 0.28 -1.14 -0.07 0.00 1.00 0.00 0.00 64.86 64.93 2wx5 h ILE 125 Cb -0.05 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 2wx5 h ILE 125 CO -0.05 0.41 -0.33 -0.07 0.00 0.00 0.00 178.15 178.10 2wx5 h LEU 126 N 0.91 0.00 0.55 1.44 3.38 -0.16 -0.37 115.31 121.06 2wx5 h LEU 126 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2wx5 h LEU 126 Cb 0.55 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.31 2wx5 h LEU 126 CO 0.03 0.33 -0.26 0.00 0.09 0.00 0.00 178.44 178.63 2wx5 h ALA 127 N 1.67 -0.74 -0.52 1.53 0.00 -0.62 -1.11 119.26 119.47 2wx5 h ALA 127 Ca -0.00 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.82 2wx5 h ALA 127 Cb 0.79 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 2wx5 h ALA 127 CO 0.04 -0.81 -0.14 -0.92 0.00 0.00 0.00 179.25 177.43 2wx5 h TYR 128 N -0.95 -0.30 -0.09 0.00 3.20 -1.31 -1.54 116.97 115.98 2wx5 h TYR 128 Ca -0.08 0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 2wx5 h TYR 128 Cb 0.63 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 2wx5 h TYR 128 CO -0.00 -0.23 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.06 2wx5 h LEU 129 N -0.01 0.14 -1.17 2.82 3.38 -1.01 0.27 115.31 119.72 2wx5 h LEU 129 Ca 0.25 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.25 2wx5 h LEU 129 Cb 0.39 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2wx5 h LEU 129 CO -0.54 0.31 0.57 0.74 0.09 0.00 0.00 178.44 179.61 2wx5 h THR 130 N 0.14 1.09 0.14 0.22 2.02 -0.24 0.63 112.91 116.91 2wx5 h THR 130 Ca 0.03 -0.35 -0.29 0.00 0.77 0.00 0.00 66.41 66.57 2wx5 h THR 130 Cb 0.36 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.75 2wx5 h THR 130 CO 0.02 0.19 -1.33 -0.07 0.37 0.00 0.00 175.52 174.70 2wx5 h LEU 131 N 1.03 0.47 0.00 2.58 3.38 0.27 -1.98 115.31 121.06 2wx5 h LEU 131 Ca 0.37 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2wx5 h LEU 131 Cb 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2wx5 h LEU 131 CO -0.13 1.42 -1.20 1.33 0.09 0.00 0.00 178.44 179.95 2wx5 n VAL 132 N -3.54 0.00 0.02 1.22 0.24 -0.76 -4.34 118.33 111.17 2wx5 n VAL 132 Ca -0.11 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 2wx5 n VAL 132 Cb 1.04 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 34.11 2wx5 n VAL 132 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2wx5 n LEU 133 N -1.67 0.09 0.07 1.34 7.94 0.28 -4.74 117.00 120.31 2wx5 n LEU 133 Ca 0.01 0.08 -0.10 0.00 -1.11 0.00 0.00 56.01 54.89 2wx5 n LEU 133 Cb 0.36 0.02 -0.13 0.00 0.53 0.00 0.00 43.42 44.20 2wx5 n LEU 133 CO 0.38 -0.39 0.04 -0.26 -1.11 0.00 0.00 177.39 176.05 2wx5 h PHE 134 N 0.00 0.15 0.12 1.96 0.04 0.05 -2.53 116.94 116.72 2wx5 h PHE 134 Ca 0.00 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 2wx5 h PHE 134 Cb 0.34 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.49 2wx5 h PHE 134 CO 0.00 1.09 -0.06 -0.09 -0.60 0.00 0.00 178.31 178.66 2wx5 h ARG 135 N 0.02 -0.15 -0.89 1.51 2.43 -1.56 -2.94 114.38 112.81 2wx5 h ARG 135 Ca -0.07 0.01 0.14 0.00 -0.81 0.00 0.00 59.98 59.25 2wx5 h ARG 135 Cb 1.85 0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 31.28 2wx5 h ARG 135 CO 0.15 0.27 -0.38 -1.35 -1.51 0.00 0.00 179.97 177.15 2wx5 h PRO 136 N -0.94 -0.04 -0.14 0.20 0.11 -1.78 -0.30 132.00 129.11 2wx5 h PRO 136 Ca -0.02 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.12 2wx5 h PRO 136 Cb 0.49 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 2wx5 h PRO 136 CO 0.03 -0.03 -0.02 0.28 -0.21 0.00 0.00 178.00 178.05 2wx5 h VAL 137 N -0.04 0.88 -0.02 3.15 2.07 -1.53 0.13 116.25 120.89 2wx5 h VAL 137 Ca 0.31 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.83 2wx5 h VAL 137 Cb 0.58 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2wx5 h VAL 137 CO -0.91 0.00 0.04 0.24 0.02 0.00 0.00 177.57 176.96 2wx5 h MET 138 N 0.02 0.00 -0.20 1.57 2.86 -1.26 -2.58 114.93 115.34 2wx5 h MET 138 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2wx5 h MET 138 Cb 0.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2wx5 h MET 138 CO -0.13 0.00 0.00 -1.33 1.06 0.00 0.00 176.91 176.51 2wx5 n MET 139 N -3.48 2.26 -0.54 1.72 2.00 0.17 -5.00 117.12 114.25 2wx5 n MET 139 Ca -0.02 -2.03 0.00 0.00 0.00 0.00 0.00 57.70 55.65 2wx5 n MET 139 Cb 0.12 -1.46 0.00 0.00 0.00 0.00 0.00 33.22 31.88 2wx5 n MET 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wx5 n GLY 140 N 1.32 1.83 3.48 3.03 0.00 0.20 -5.01 105.19 110.04 2wx5 n GLY 140 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2wx5 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wx5 s ALA 141 N -3.46 -1.44 0.29 4.61 0.00 -0.99 -3.16 121.76 117.61 2wx5 s ALA 141 Ca 0.00 1.72 0.04 0.00 0.00 0.00 0.00 51.96 53.71 2wx5 s ALA 141 Cb 0.00 -1.00 0.73 0.00 0.00 0.00 0.00 23.12 22.85 2wx5 s ALA 141 CO 0.00 -0.29 1.68 -1.49 0.00 0.00 0.00 175.76 175.67 2wx5 h TRP 142 N 5.64 0.59 -0.45 0.00 -0.00 -1.81 -2.33 115.95 117.59 2wx5 h TRP 142 Ca -0.29 0.04 0.13 0.00 -0.00 0.00 0.00 58.89 58.77 2wx5 h TRP 142 Cb 1.18 -0.12 -0.02 0.00 -0.00 0.00 0.00 29.16 30.20 2wx5 h TRP 142 CO 0.34 -0.09 0.55 0.78 -0.00 0.00 0.00 178.44 180.02 2wx5 h GLY 143 N 0.35 0.00 2.00 1.49 0.00 -1.64 -0.02 103.07 105.25 2wx5 h GLY 143 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 2wx5 h GLY 143 CO -0.56 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.01 2wx5 h TYR 144 N 0.00 0.00 -4.11 5.60 0.05 -1.72 -3.46 116.97 113.34 2wx5 h TYR 144 Ca 0.21 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.51 2wx5 h TYR 144 Cb 1.32 0.00 0.14 0.00 1.01 0.00 0.00 36.73 39.20 2wx5 h TYR 144 CO 0.00 0.00 0.26 0.00 -1.05 0.00 0.00 178.16 177.37 2wx5 s ALA 145 N -3.56 1.64 0.51 3.88 0.00 -0.02 -4.92 121.76 119.28 2wx5 s ALA 145 Ca 0.02 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.81 2wx5 s ALA 145 Cb 0.09 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 2wx5 s ALA 145 CO 0.47 -2.27 0.83 -0.59 0.00 0.00 0.00 175.76 174.20 2wx5 s PHE 146 N -2.98 3.57 0.10 0.00 -0.71 -1.26 -4.81 117.98 111.89 2wx5 s PHE 146 Ca 0.63 0.90 0.03 0.00 -1.04 0.00 0.00 56.93 57.45 2wx5 s PHE 146 Cb -0.17 -2.39 -0.04 0.00 -1.21 0.00 0.00 43.02 39.21 2wx5 s PHE 146 CO 0.56 -0.36 0.13 -1.25 -1.34 0.00 0.00 175.22 172.96 2wx5 s PRO 147 N -4.83 3.00 -0.93 1.99 0.04 -1.26 -4.69 135.00 128.33 2wx5 s PRO 147 Ca 0.49 -0.70 -0.18 0.00 0.04 0.00 0.00 61.00 60.66 2wx5 s PRO 147 Cb -0.10 -2.77 0.15 0.00 0.04 0.00 0.00 34.50 31.82 2wx5 s PRO 147 CO 0.47 0.55 1.08 0.71 0.04 0.00 0.00 177.00 179.85 2wx5 s TYR 148 N -1.53 3.24 0.09 0.56 2.02 -0.77 -3.93 117.35 117.04 2wx5 s TYR 148 Ca 0.31 -1.52 -0.26 0.00 -0.37 0.00 0.00 57.07 55.23 2wx5 s TYR 148 Cb -0.12 -4.21 0.07 0.00 -0.40 0.00 0.00 41.96 37.31 2wx5 s TYR 148 CO 0.24 -1.40 0.64 0.20 -1.57 0.00 0.00 175.55 173.65 2wx5 s GLY 149 N 3.36 -0.60 0.12 0.71 0.00 -1.26 -2.03 107.32 107.62 2wx5 s GLY 149 Ca 0.31 0.76 -0.21 0.00 0.00 0.00 0.00 44.72 45.58 2wx5 s GLY 149 CO -0.09 0.41 1.70 -2.22 0.00 0.00 0.00 173.10 172.90 2wx5 h ILE 150 N 2.30 0.79 0.00 0.90 2.04 -1.80 -0.85 117.51 120.89 2wx5 h ILE 150 Ca -0.31 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.37 2wx5 h ILE 150 Cb 1.26 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 38.09 2wx5 h ILE 150 CO 0.38 0.00 -1.81 0.79 0.00 0.00 0.00 178.15 177.51 2wx5 n TRP 151 N -5.20 0.47 0.12 1.37 7.02 -1.26 -4.35 117.44 115.60 2wx5 n TRP 151 Ca -0.03 0.15 -0.02 0.00 -1.02 0.00 0.00 57.50 56.58 2wx5 n TRP 151 Cb 0.13 -0.91 0.11 0.00 -2.42 0.00 0.00 31.31 28.22 2wx5 n TRP 151 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2wx5 h THR 152 N 0.00 1.45 0.00 -0.99 1.35 -1.89 -2.42 112.91 110.41 2wx5 h THR 152 Ca -0.22 -2.38 -0.05 0.00 -0.55 0.00 0.00 66.41 63.21 2wx5 h THR 152 Cb 1.60 2.30 -0.01 0.00 -1.73 0.00 0.00 68.15 70.31 2wx5 h THR 152 CO 0.03 0.67 -0.24 1.12 -0.25 0.00 0.00 175.52 176.85 2wx5 h HIS 153 N 0.00 0.00 0.02 4.73 2.07 -1.27 -2.49 115.15 118.20 2wx5 h HIS 153 Ca -0.01 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.51 2wx5 h HIS 153 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2wx5 h HIS 153 CO 0.00 0.24 -0.01 -0.07 -3.07 0.00 0.00 177.93 175.02 2wx5 h LEU 154 N 0.00 -0.02 -0.76 6.12 3.38 -1.64 -2.56 115.31 119.84 2wx5 h LEU 154 Ca -0.00 -0.49 0.15 0.00 0.09 0.00 0.00 57.88 57.63 2wx5 h LEU 154 Cb 0.49 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.10 2wx5 h LEU 154 CO 0.03 0.48 -0.19 0.47 0.09 0.00 0.00 178.44 179.32 2wx5 n ASP 155 N -4.86 -0.27 -0.02 -0.43 8.00 -1.07 -0.63 116.55 117.27 2wx5 n ASP 155 Ca -0.09 1.30 0.02 0.00 0.71 0.00 0.00 54.79 56.73 2wx5 n ASP 155 Cb 0.26 -0.39 0.35 0.00 -0.02 0.00 0.00 41.12 41.31 2wx5 n ASP 155 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 2wx5 h TRP 156 N 0.00 0.57 0.17 1.24 7.01 -1.20 0.19 115.95 123.93 2wx5 h TRP 156 Ca 0.36 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.33 2wx5 h TRP 156 Cb 0.55 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 2wx5 h TRP 156 CO -0.58 0.45 -0.08 0.28 -2.79 0.00 0.00 178.44 175.72 2wx5 h VAL 157 N 0.57 0.94 -0.06 2.65 2.07 -0.47 0.48 116.25 122.44 2wx5 h VAL 157 Ca 0.14 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.99 2wx5 h VAL 157 Cb 0.13 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 2wx5 h VAL 157 CO -0.01 0.16 -0.12 0.28 0.02 0.00 0.00 177.57 177.89 2wx5 h SER 158 N -0.58 -0.36 -0.22 0.57 0.02 -0.71 -0.64 113.55 111.63 2wx5 h SER 158 Ca -0.02 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2wx5 h SER 158 Cb 0.44 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2wx5 h SER 158 CO 0.04 -0.17 0.10 0.78 -1.14 0.00 0.00 176.83 176.44 2wx5 h ASN 159 N -0.17 0.14 -0.38 3.07 2.35 -0.65 -0.65 115.58 119.29 2wx5 h ASN 159 Ca 0.06 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 2wx5 h ASN 159 Cb 0.26 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 2wx5 h ASN 159 CO -0.16 0.11 0.17 0.74 -1.65 0.00 0.00 177.43 176.64 2wx5 h THR 160 N 0.22 0.95 -0.41 2.81 2.02 -0.73 -1.90 112.91 115.86 2wx5 h THR 160 Ca 0.09 -0.12 -0.14 0.00 0.77 0.00 0.00 66.41 67.01 2wx5 h THR 160 Cb 0.04 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 2wx5 h THR 160 CO -0.07 0.06 -0.31 1.23 0.37 0.00 0.00 175.52 176.80 2wx5 h GLY 161 N 0.35 0.99 2.00 2.16 0.00 -0.93 -3.15 103.07 104.50 2wx5 h GLY 161 Ca 0.16 -0.95 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 2wx5 h GLY 161 CO -0.14 0.86 -0.09 -0.97 0.00 0.00 0.00 176.54 176.20 2wx5 h TYR 162 N 0.77 0.00 0.00 5.60 0.05 -0.80 -1.88 116.97 120.71 2wx5 h TYR 162 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 2wx5 h TYR 162 Cb 0.88 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.62 2wx5 h TYR 162 CO 0.05 0.09 0.48 2.41 -1.05 0.00 0.00 178.16 180.15 2wx5 n THR 163 N -3.18 0.37 -1.44 -2.88 -1.04 -0.74 -0.98 114.28 104.38 2wx5 n THR 163 Ca 0.01 0.69 0.03 0.00 -2.04 0.00 0.00 64.05 62.75 2wx5 n THR 163 Cb 0.42 -1.69 0.04 0.00 -1.82 0.00 0.00 70.33 67.28 2wx5 n THR 163 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2wx5 n TYR 164 N -1.74 0.00 -2.90 -1.42 4.02 -0.71 -4.84 117.16 109.56 2wx5 n TYR 164 Ca -0.00 -0.36 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 2wx5 n TYR 164 Cb 0.49 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 2wx5 n TYR 164 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wx5 n GLY 165 N -0.50 -0.05 3.61 2.72 0.00 -0.15 -1.43 105.19 109.39 2wx5 n GLY 165 Ca 0.05 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 2wx5 n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wx5 s ASN 166 N -4.00 6.45 0.29 1.61 2.47 -1.26 -3.61 114.94 116.89 2wx5 s ASN 166 Ca 0.00 0.97 0.23 0.00 0.42 0.00 0.00 52.86 54.49 2wx5 s ASN 166 Cb 0.00 -2.54 1.08 0.00 -1.45 0.00 0.00 41.25 38.34 2wx5 s ASN 166 CO 0.00 -1.31 1.71 0.33 -3.72 0.00 0.00 177.10 174.11 2wx5 n PHE 167 N 8.40 0.81 -0.21 0.43 7.35 -1.26 -2.23 117.46 130.76 2wx5 n PHE 167 Ca 0.16 0.36 0.31 0.00 -0.76 0.00 0.00 57.45 57.51 2wx5 n PHE 167 Cb 0.47 -1.07 0.65 0.00 0.35 0.00 0.00 39.48 39.88 2wx5 n PHE 167 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2wx5 h HIS 168 N 0.00 0.00 -0.00 -5.13 3.86 -1.94 0.12 115.15 112.05 2wx5 h HIS 168 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wx5 h HIS 168 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2wx5 h HIS 168 CO 0.00 0.00 -0.26 0.66 0.86 0.00 0.00 177.93 179.19 2wx5 n TYR 169 N -3.68 0.00 -1.81 2.45 4.01 -0.95 -4.62 117.16 112.57 2wx5 n TYR 169 Ca 0.22 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.54 2wx5 n TYR 169 Cb 1.26 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 40.08 2wx5 n TYR 169 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2wx5 s ASN 170 N -2.62 6.54 0.09 7.72 3.84 0.41 -4.67 114.94 126.24 2wx5 s ASN 170 Ca 0.22 2.50 0.27 0.00 0.21 0.00 0.00 52.86 56.06 2wx5 s ASN 170 Cb 0.19 -2.53 0.96 0.00 -0.55 0.00 0.00 41.25 39.32 2wx5 s ASN 170 CO 0.55 -1.00 1.79 -0.81 -2.79 0.00 0.00 177.10 174.84 2wx5 n PRO 171 N 7.35 0.12 0.00 0.43 -0.04 -1.26 -1.99 135.00 139.61 2wx5 n PRO 171 Ca 0.19 0.09 0.14 0.00 -0.04 0.00 0.00 63.50 63.87 2wx5 n PRO 171 Cb 0.42 -1.63 0.54 0.00 -0.04 0.00 0.00 33.50 32.79 2wx5 n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wx5 n ALA 172 N -1.63 2.85 -0.03 0.55 0.00 -1.26 -2.60 120.51 118.39 2wx5 n ALA 172 Ca 0.06 -0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.22 2wx5 n ALA 172 Cb 0.38 -1.28 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 2wx5 n ALA 172 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2wx5 n HIS 173 N -0.94 0.21 0.00 0.00 -0.00 -0.84 -2.64 115.22 111.01 2wx5 n HIS 173 Ca 0.13 0.07 -0.13 0.00 -0.00 0.00 0.00 57.72 57.79 2wx5 n HIS 173 Cb 0.30 -0.80 -0.10 0.00 -0.00 0.00 0.00 29.99 29.39 2wx5 n HIS 173 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2wx5 h MET 174 N 0.00 -0.06 0.49 1.57 2.86 -1.38 -1.40 114.93 117.01 2wx5 h MET 174 Ca -0.23 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2wx5 h MET 174 Cb 1.56 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 33.21 2wx5 h MET 174 CO 0.02 0.46 -0.47 0.82 1.06 0.00 0.00 176.91 178.80 2wx5 h ILE 175 N -0.62 0.07 -0.59 -1.22 2.04 -1.62 -1.87 117.51 113.71 2wx5 h ILE 175 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 2wx5 h ILE 175 Cb 0.55 0.07 -0.08 0.00 -0.74 0.00 0.00 36.82 36.62 2wx5 h ILE 175 CO 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.85 2wx5 n ALA 176 N -2.78 -0.29 0.06 1.87 0.00 -1.08 -0.39 120.51 117.90 2wx5 n ALA 176 Ca -0.12 0.53 0.02 0.00 0.00 0.00 0.00 53.44 53.87 2wx5 n ALA 176 Cb 0.44 -0.13 0.39 0.00 0.00 0.00 0.00 19.45 20.15 2wx5 n ALA 176 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wx5 h ILE 177 N 0.00 1.15 -0.26 0.00 2.04 -0.92 -1.86 117.51 117.66 2wx5 h ILE 177 Ca 0.13 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 2wx5 h ILE 177 Cb 0.27 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2wx5 h ILE 177 CO -0.56 0.19 0.06 0.28 0.00 0.00 0.00 178.15 178.12 2wx5 h SER 178 N 0.40 0.40 0.28 1.72 0.02 0.11 -0.74 113.55 115.74 2wx5 h SER 178 Ca 0.09 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2wx5 h SER 178 Cb 0.20 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 2wx5 h SER 178 CO -0.00 0.53 -0.16 -0.26 -1.14 0.00 0.00 176.83 175.80 2wx5 h PHE 179 N 0.25 -0.41 -0.66 3.45 0.04 -1.18 -0.15 116.94 118.29 2wx5 h PHE 179 Ca 0.08 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.98 2wx5 h PHE 179 Cb 0.29 0.14 -0.12 0.00 2.20 0.00 0.00 35.95 38.46 2wx5 h PHE 179 CO 0.01 -0.25 -0.16 0.74 -0.60 0.00 0.00 178.31 178.05 2wx5 h PHE 180 N -0.41 -0.34 0.04 -0.55 0.04 -1.15 0.18 116.94 114.74 2wx5 h PHE 180 Ca -0.03 0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 2wx5 h PHE 180 Cb 0.33 0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.74 2wx5 h PHE 180 CO -0.08 -0.28 -0.02 0.00 -0.60 0.00 0.00 178.31 177.33 2wx5 h ARG 181 N 0.00 -0.05 -0.69 1.51 -0.00 -1.03 -2.14 114.38 111.97 2wx5 h ARG 181 Ca 0.32 0.00 0.13 0.00 -0.50 0.00 0.00 59.98 59.93 2wx5 h ARG 181 Cb 0.48 0.01 -0.09 0.00 0.00 0.00 0.00 29.97 30.37 2wx5 h ARG 181 CO -0.68 0.29 0.21 1.15 0.00 0.00 0.00 179.97 180.95 2wx5 h THR 182 N -0.39 0.63 -0.36 2.04 2.02 -0.74 -0.77 112.91 115.34 2wx5 h THR 182 Ca -0.01 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.11 2wx5 h THR 182 Cb 0.36 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 2wx5 h THR 182 CO 0.01 0.06 0.09 -1.13 0.37 0.00 0.00 175.52 174.92 2wx5 h ASN 183 N 0.35 0.06 -0.21 4.18 -0.73 -0.52 0.04 115.58 118.73 2wx5 h ASN 183 Ca 0.38 0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.60 2wx5 h ASN 183 Cb 0.58 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.22 2wx5 h ASN 183 CO -0.42 0.07 0.13 0.00 -0.37 0.00 0.00 177.43 176.83 2wx5 h ALA 184 N 1.25 0.27 -0.76 1.57 0.00 -0.50 0.32 119.26 121.41 2wx5 h ALA 184 Ca 0.17 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.19 2wx5 h ALA 184 Cb 0.17 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 2wx5 h ALA 184 CO -0.20 -0.22 0.26 1.25 0.00 0.00 0.00 179.25 180.34 2wx5 h LEU 185 N 0.26 0.17 -0.47 0.00 5.85 -0.98 -0.35 115.31 119.79 2wx5 h LEU 185 Ca 0.08 0.13 -0.16 0.00 0.84 0.00 0.00 57.88 58.77 2wx5 h LEU 185 Cb 0.03 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2wx5 h LEU 185 CO -0.01 0.03 -0.48 0.00 -0.34 0.00 0.00 178.44 177.63 2wx5 h ALA 186 N 1.59 0.65 -0.53 1.25 0.00 0.26 -1.32 119.26 121.16 2wx5 h ALA 186 Ca 0.43 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2wx5 h ALA 186 Cb 0.72 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2wx5 h ALA 186 CO -0.46 0.68 0.02 1.25 0.00 0.00 0.00 179.25 180.73 2wx5 h LEU 187 N 0.57 0.89 0.07 0.00 5.85 -0.01 -1.05 115.31 121.64 2wx5 h LEU 187 Ca 0.03 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2wx5 h LEU 187 Cb 1.05 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.84 2wx5 h LEU 187 CO 0.10 0.97 -0.04 0.00 -0.34 0.00 0.00 178.44 179.14 2wx5 h ALA 188 N 0.95 -0.10 0.28 1.25 0.00 -0.92 -2.63 119.26 118.09 2wx5 h ALA 188 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wx5 h ALA 188 Cb 0.50 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2wx5 h ALA 188 CO 0.02 -0.45 -0.44 -0.07 0.00 0.00 0.00 179.25 178.31 2wx5 h LEU 189 N -0.31 -1.26 -0.14 0.00 3.38 -1.17 -0.84 115.31 114.98 2wx5 h LEU 189 Ca -0.01 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.10 2wx5 h LEU 189 Cb 0.26 0.45 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 2wx5 h LEU 189 CO 0.02 -0.55 -0.32 -0.74 0.09 0.00 0.00 178.44 176.94 2wx5 h HIS 190 N -0.79 -0.95 -0.78 1.13 2.76 -1.22 0.23 115.15 115.53 2wx5 h HIS 190 Ca -0.01 0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.30 2wx5 h HIS 190 Cb 0.74 0.43 -0.11 0.00 1.55 0.00 0.00 27.41 30.02 2wx5 h HIS 190 CO -0.31 -0.30 -0.36 0.41 -1.30 0.00 0.00 177.93 176.07 2wx5 n GLY 191 N -1.23 -1.77 0.27 5.26 0.00 -0.99 -1.22 105.19 105.50 2wx5 n GLY 191 Ca -0.03 0.90 -0.06 0.00 0.00 0.00 0.00 46.02 46.82 2wx5 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wx5 h ALA 192 N 0.83 0.96 0.30 4.61 0.00 -0.20 -2.21 119.26 123.55 2wx5 h ALA 192 Ca 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2wx5 h ALA 192 Cb 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wx5 h ALA 192 CO -0.76 0.61 -0.14 1.25 0.00 0.00 0.00 179.25 180.20 2wx5 h LEU 193 N 0.66 -0.34 -1.30 0.00 5.85 0.87 -0.48 115.31 120.57 2wx5 h LEU 193 Ca 0.10 -0.20 0.16 0.00 0.84 0.00 0.00 57.88 58.78 2wx5 h LEU 193 Cb 0.66 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.70 2wx5 h LEU 193 CO 0.05 0.08 0.58 0.58 -0.34 0.00 0.00 178.44 179.39 2wx5 h VAL 194 N -0.83 0.80 0.10 1.05 2.07 -1.30 -1.79 116.25 116.34 2wx5 h VAL 194 Ca -0.04 -0.22 -0.26 0.00 0.82 0.00 0.00 66.70 67.00 2wx5 h VAL 194 Cb 0.52 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2wx5 h VAL 194 CO 0.07 0.12 -1.17 -0.07 0.02 0.00 0.00 177.57 176.53 2wx5 h LEU 195 N 0.65 0.41 -1.45 2.57 3.38 -1.26 -1.77 115.31 117.84 2wx5 h LEU 195 Ca 0.46 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wx5 h LEU 195 Cb 0.81 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2wx5 h LEU 195 CO -0.22 1.30 -0.00 0.77 0.09 0.00 0.00 178.44 180.39 2wx5 h SER 196 N 0.09 0.00 0.42 -0.43 4.64 -0.60 0.15 113.55 117.83 2wx5 h SER 196 Ca -0.12 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.89 2wx5 h SER 196 Cb 1.88 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.95 2wx5 h SER 196 CO 0.19 0.00 -1.64 0.00 -0.87 0.00 0.00 176.83 174.51 2wx5 h ALA 197 N 2.00 0.42 0.00 5.18 0.00 -1.21 -3.32 119.26 122.32 2wx5 h ALA 197 Ca -0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 54.91 53.65 2wx5 h ALA 197 Cb 0.52 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2wx5 h ALA 197 CO 0.00 1.28 -0.40 0.00 0.00 0.00 0.00 179.25 180.13 2wx5 h ALA 198 N 0.54 0.81 -2.17 0.00 0.00 -1.09 -0.60 119.26 116.74 2wx5 h ALA 198 Ca -0.28 -0.09 -0.58 0.00 0.00 0.00 0.00 54.91 53.96 2wx5 h ALA 198 Cb 2.01 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 19.40 2wx5 h ALA 198 CO 0.13 0.11 -0.88 0.09 0.00 0.00 0.00 179.25 178.69 2wx5 n ASN 199 N -2.99 1.54 -3.88 0.00 4.13 0.52 -4.85 115.26 109.74 2wx5 n ASN 199 Ca 0.02 -2.96 -0.30 0.00 1.68 0.00 0.00 54.58 53.02 2wx5 n ASN 199 Cb 0.57 -0.65 0.23 0.00 -1.54 0.00 0.00 39.78 38.39 2wx5 n ASN 199 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 2wx5 s PRO 200 N -1.53 -0.74 0.85 3.52 0.02 -1.25 -4.66 135.00 131.20 2wx5 s PRO 200 Ca 0.36 -0.18 -0.14 0.00 0.02 0.00 0.00 61.00 61.06 2wx5 s PRO 200 Cb 0.14 -1.66 -0.00 0.00 0.02 0.00 0.00 34.50 32.99 2wx5 s PRO 200 CO -0.09 -3.37 0.45 0.39 -0.33 0.00 0.00 177.00 174.05 2wx5 n GLU 201 N -4.50 -0.01 -1.68 5.54 1.02 -1.26 -4.79 120.64 114.96 2wx5 n GLU 201 Ca 0.14 0.05 -0.50 0.00 -0.02 0.00 0.00 57.16 56.82 2wx5 n GLU 201 Cb 0.59 -1.84 -0.05 0.00 -0.02 0.00 0.00 31.44 30.13 2wx5 n GLU 201 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2wx5 n LYS 202 N -1.20 1.94 0.00 3.49 3.00 -1.26 -2.48 118.16 121.66 2wx5 n LYS 202 Ca 0.08 0.71 0.00 0.00 -0.00 0.00 0.00 58.31 59.10 2wx5 n LYS 202 Cb 0.52 -2.51 0.00 0.00 0.00 0.00 0.00 35.03 33.04 2wx5 n LYS 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2wx5 n GLY 203 N 4.19 2.72 3.73 3.14 0.00 -1.26 -5.05 105.19 112.66 2wx5 n GLY 203 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 2wx5 n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wx5 s LYS 204 N -0.38 0.59 0.16 1.61 1.02 -1.03 -5.04 119.74 116.66 2wx5 s LYS 204 Ca 0.00 0.30 -0.06 0.00 0.02 0.00 0.00 55.97 56.23 2wx5 s LYS 204 Cb 0.00 -1.77 -0.06 0.00 -0.52 0.00 0.00 37.83 35.48 2wx5 s LYS 204 CO 0.00 -2.57 0.41 -1.83 -0.92 0.00 0.00 175.35 170.44 2wx5 s GLU 205 N -5.20 3.66 0.37 1.68 -1.05 -1.26 -4.89 118.70 112.01 2wx5 s GLU 205 Ca 0.65 -0.00 -0.28 0.00 -0.15 0.00 0.00 54.97 55.19 2wx5 s GLU 205 Cb -0.15 -2.81 -0.11 0.00 -0.44 0.00 0.00 34.13 30.61 2wx5 s GLU 205 CO 0.55 0.44 1.51 0.00 0.95 0.00 0.00 175.26 178.72 2wx5 s MET 206 N -2.66 4.10 1.04 -4.83 0.23 -1.26 -4.87 119.30 111.05 2wx5 s MET 206 Ca 0.42 2.59 -0.18 0.00 -1.03 0.00 0.00 55.69 57.50 2wx5 s MET 206 Cb -0.12 -2.97 0.25 0.00 -1.53 0.00 0.00 34.83 30.46 2wx5 s MET 206 CO 0.24 -0.57 1.23 0.54 -2.03 0.00 0.00 175.02 174.43 2wx5 n ARG 207 N 0.71 -1.87 -4.40 3.16 3.00 -0.23 -5.03 116.66 111.99 2wx5 n ARG 207 Ca 0.02 -1.92 -0.20 0.00 -0.01 0.00 0.00 57.85 55.74 2wx5 n ARG 207 Cb 0.39 -1.43 -0.10 0.00 0.00 0.00 0.00 32.46 31.31 2wx5 n ARG 207 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2wx5 s THR 208 N -3.56 1.23 0.29 0.55 -4.23 -1.26 -4.79 115.64 103.88 2wx5 s THR 208 Ca 0.73 -2.04 0.25 0.00 -1.18 0.00 0.00 61.69 59.45 2wx5 s THR 208 Cb -0.04 -2.55 0.25 0.00 1.34 0.00 0.00 72.50 71.50 2wx5 s THR 208 CO 0.52 -0.18 1.74 -0.65 -0.54 0.00 0.00 174.62 175.51 2wx5 h PRO 209 N 2.28 0.00 0.18 3.99 0.10 -1.99 0.38 132.00 136.94 2wx5 h PRO 209 Ca -0.40 0.00 -0.35 0.00 0.10 0.00 0.00 66.00 65.35 2wx5 h PRO 209 Cb 1.23 0.00 0.01 0.00 0.10 0.00 0.00 31.00 32.34 2wx5 h PRO 209 CO 0.67 0.00 -1.74 -0.44 0.10 0.00 0.00 178.00 176.59 2wx5 h ASP 210 N 0.00 0.60 -0.96 -2.05 5.19 -1.98 -2.13 116.42 115.08 2wx5 h ASP 210 Ca 0.00 -0.90 0.13 0.00 -0.62 0.00 0.00 57.03 55.65 2wx5 h ASP 210 Cb 0.42 -0.19 -0.09 0.00 0.18 0.00 0.00 39.33 39.64 2wx5 h ASP 210 CO 0.00 1.76 0.59 0.45 -3.12 0.00 0.00 179.24 178.91 2wx5 h HIS 211 N 0.10 1.05 0.05 4.55 3.86 -1.34 0.21 115.15 123.63 2wx5 h HIS 211 Ca -0.34 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 58.90 2wx5 h HIS 211 Cb 2.09 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 30.24 2wx5 h HIS 211 CO 0.10 0.37 -0.02 0.93 0.86 0.00 0.00 177.93 180.16 2wx5 h GLU 212 N 0.89 -0.06 -0.73 2.45 5.08 -1.26 0.44 114.58 121.39 2wx5 h GLU 212 Ca 0.50 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.94 2wx5 h GLU 212 Cb 0.57 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 2wx5 h GLU 212 CO -0.30 0.17 0.48 -0.44 -1.00 0.00 0.00 179.01 177.93 2wx5 h ASP 213 N -0.29 0.63 -0.14 1.42 3.32 -1.24 -2.59 116.42 117.52 2wx5 h ASP 213 Ca -0.01 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2wx5 h ASP 213 Cb 0.26 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2wx5 h ASP 213 CO 0.01 0.39 -0.40 0.74 -1.72 0.00 0.00 179.24 178.27 2wx5 h THR 214 N 0.71 1.36 -0.74 0.35 2.02 0.11 -2.30 112.91 114.42 2wx5 h THR 214 Ca 0.32 -1.67 0.10 0.00 0.77 0.00 0.00 66.41 65.93 2wx5 h THR 214 Cb 0.35 2.04 -0.07 0.00 -1.74 0.00 0.00 68.15 68.72 2wx5 h THR 214 CO -0.11 0.51 0.37 0.15 0.37 0.00 0.00 175.52 176.81 2wx5 h PHE 215 N 0.15 0.67 -0.12 3.16 3.57 -0.08 -0.53 116.94 123.75 2wx5 h PHE 215 Ca -0.01 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2wx5 h PHE 215 Cb 1.01 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 2wx5 h PHE 215 CO 0.10 0.23 -0.03 0.74 -2.23 0.00 0.00 178.31 177.12 2wx5 h PHE 216 N 0.62 0.27 -0.29 0.41 0.04 -1.27 -1.97 116.94 114.75 2wx5 h PHE 216 Ca 0.37 -0.06 0.07 0.00 2.80 0.00 0.00 57.97 61.14 2wx5 h PHE 216 Cb 0.40 -0.07 -0.08 0.00 2.20 0.00 0.00 35.95 38.41 2wx5 h PHE 216 CO -0.10 0.54 -0.32 0.00 -0.60 0.00 0.00 178.31 177.83 2wx5 h ARG 217 N -0.08 -0.30 -0.42 1.51 -0.00 -1.19 0.22 114.38 114.13 2wx5 h ARG 217 Ca 0.03 0.02 0.08 0.00 -0.50 0.00 0.00 59.98 59.61 2wx5 h ARG 217 Cb 0.46 0.07 -0.07 0.00 0.00 0.00 0.00 29.97 30.42 2wx5 h ARG 217 CO 0.01 -0.20 -0.02 -0.44 0.00 0.00 0.00 179.97 179.32 2wx5 h ASP 218 N -0.31 -0.22 -0.03 7.04 3.32 -1.06 0.15 116.42 125.30 2wx5 h ASP 218 Ca 0.14 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2wx5 h ASP 218 Cb 0.54 0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.28 2wx5 h ASP 218 CO -0.46 -0.07 -0.02 0.25 -1.72 0.00 0.00 179.24 177.22 2wx5 h LEU 219 N 0.08 0.07 -0.29 1.55 5.85 -0.35 -3.39 115.31 118.83 2wx5 h LEU 219 Ca 0.21 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2wx5 h LEU 219 Cb 0.30 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2wx5 h LEU 219 CO -0.36 0.48 0.00 1.33 -0.34 0.00 0.00 178.44 179.55 2wx5 n VAL 220 N -4.83 0.02 -1.45 1.05 0.24 0.65 -5.01 118.33 108.99 2wx5 n VAL 220 Ca -0.08 -0.08 -0.02 0.00 -2.04 0.00 0.00 64.34 62.12 2wx5 n VAL 220 Cb 0.24 1.74 -0.01 0.00 -1.47 0.00 0.00 33.84 34.34 2wx5 n VAL 220 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wx5 n GLY 221 N -0.01 0.44 3.37 7.63 0.00 0.51 -4.98 105.19 112.14 2wx5 n GLY 221 Ca 0.00 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.95 2wx5 n GLY 221 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wx5 s TYR 222 N -2.08 -0.39 -0.02 1.61 5.04 -1.26 -4.90 117.35 115.36 2wx5 s TYR 222 Ca 0.00 0.58 -0.00 0.00 -2.44 0.00 0.00 57.07 55.20 2wx5 s TYR 222 Cb 0.00 0.25 0.02 0.00 0.35 0.00 0.00 41.96 42.59 2wx5 s TYR 222 CO 0.00 -0.52 0.04 0.45 -1.34 0.00 0.00 175.55 174.17 2wx5 s SER 223 N -1.47 0.03 0.32 4.32 0.15 -1.26 -3.63 113.70 112.16 2wx5 s SER 223 Ca -0.10 0.07 0.17 0.00 0.70 0.00 0.00 55.95 56.78 2wx5 s SER 223 Cb -0.02 -0.01 0.27 0.00 -1.71 0.00 0.00 66.02 64.54 2wx5 s SER 223 CO 0.04 -0.10 1.54 -0.29 1.20 0.00 0.00 173.24 175.63 2wx5 h ILE 224 N 5.95 0.82 0.00 6.45 2.10 -1.98 -3.49 117.51 127.35 2wx5 h ILE 224 Ca -0.40 -1.96 0.00 0.00 1.08 0.00 0.00 64.86 63.58 2wx5 h ILE 224 Cb 1.15 2.27 0.00 0.00 -1.09 0.00 0.00 36.82 39.14 2wx5 h ILE 224 CO 0.48 0.43 0.00 0.61 -1.08 0.00 0.00 178.15 178.59 2wx5 n GLY 225 N 0.94 0.52 0.14 8.18 0.00 -1.26 -4.12 105.19 109.60 2wx5 n GLY 225 Ca 0.01 -1.76 0.01 0.00 0.00 0.00 0.00 46.02 44.29 2wx5 n GLY 225 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wx5 h THR 226 N 0.00 1.18 -0.13 2.61 1.35 -1.96 -0.20 112.91 115.76 2wx5 h THR 226 Ca 0.00 -2.23 -0.16 0.00 -0.55 0.00 0.00 66.41 63.47 2wx5 h THR 226 Cb 0.00 2.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 2wx5 h THR 226 CO 0.00 0.58 -0.60 0.25 -0.25 0.00 0.00 175.52 175.50 2wx5 h LEU 227 N 0.00 0.49 -0.24 3.87 5.85 -2.01 -3.36 115.31 119.90 2wx5 h LEU 227 Ca -0.01 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 2wx5 h LEU 227 Cb 1.25 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2wx5 h LEU 227 CO 0.08 0.97 -0.01 1.23 -0.34 0.00 0.00 178.44 180.37 2wx5 h GLY 228 N 1.22 0.47 2.00 3.75 0.00 -1.40 -1.45 103.07 107.65 2wx5 h GLY 228 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2wx5 h GLY 228 CO 0.11 0.33 0.00 4.51 0.00 0.00 0.00 176.54 181.48 2wx5 n ILE 229 N -4.63 0.74 -0.08 2.60 0.13 -0.20 0.27 119.36 118.19 2wx5 n ILE 229 Ca -0.04 0.09 -0.14 0.00 -1.10 0.00 0.00 62.75 61.56 2wx5 n ILE 229 Cb 0.25 -0.96 -0.14 0.00 -0.84 0.00 0.00 39.64 37.96 2wx5 n ILE 229 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 2wx5 n HIS 230 N -2.12 0.35 -0.16 9.51 8.25 -1.06 -2.22 115.22 127.77 2wx5 n HIS 230 Ca 0.03 0.10 -0.04 0.00 -0.26 0.00 0.00 57.72 57.56 2wx5 n HIS 230 Cb 0.28 -1.05 0.06 0.00 1.12 0.00 0.00 29.99 30.39 2wx5 n HIS 230 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wx5 h ARG 231 N 0.01 0.42 0.54 -0.41 3.08 -0.77 -3.00 114.38 114.25 2wx5 h ARG 231 Ca -0.50 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.50 2wx5 h ARG 231 Cb 2.06 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 32.02 2wx5 h ARG 231 CO 0.01 0.28 -0.26 1.25 -1.07 0.00 0.00 179.97 180.17 2wx5 h LEU 232 N 0.43 -0.62 -0.55 3.04 5.85 -0.25 -1.81 115.31 121.41 2wx5 h LEU 232 Ca 0.23 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.04 2wx5 h LEU 232 Cb 0.19 0.16 -0.11 0.00 0.37 0.00 0.00 40.66 41.27 2wx5 h LEU 232 CO -0.20 -0.36 -0.19 1.23 -0.34 0.00 0.00 178.44 178.58 2wx5 h GLY 233 N -0.84 0.28 1.59 3.75 0.00 -1.53 0.19 103.07 106.52 2wx5 h GLY 233 Ca -0.07 0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.44 2wx5 h GLY 233 CO 0.12 -0.22 -0.04 -2.00 0.00 0.00 0.00 176.54 174.40 2wx5 h LEU 234 N -0.05 0.47 -0.04 3.11 5.85 -1.36 -2.09 115.31 121.20 2wx5 h LEU 234 Ca 0.26 -0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.73 2wx5 h LEU 234 Cb 0.45 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.37 2wx5 h LEU 234 CO -0.59 0.57 -0.57 0.25 -0.34 0.00 0.00 178.44 177.75 2wx5 h LEU 235 N 0.48 0.58 -0.46 2.25 5.85 -0.24 -1.52 115.31 122.24 2wx5 h LEU 235 Ca 0.10 -0.71 0.02 0.00 0.84 0.00 0.00 57.88 58.12 2wx5 h LEU 235 Cb 0.37 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2wx5 h LEU 235 CO 0.02 1.20 0.29 -0.07 -0.34 0.00 0.00 178.44 179.54 2wx5 h LEU 236 N -0.00 0.47 0.22 2.25 3.38 -0.45 -1.02 115.31 120.15 2wx5 h LEU 236 Ca -0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2wx5 h LEU 236 Cb 1.26 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.91 2wx5 h LEU 236 CO 0.12 0.34 -0.10 0.28 0.09 0.00 0.00 178.44 179.16 2wx5 h SER 237 N 0.58 -0.25 -0.01 -0.43 0.02 -1.43 0.20 113.55 112.23 2wx5 h SER 237 Ca 0.18 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2wx5 h SER 237 Cb -0.01 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2wx5 h SER 237 CO -0.07 0.16 0.01 -0.07 -1.14 0.00 0.00 176.83 175.72 2wx5 h LEU 238 N -0.70 0.00 0.18 5.07 3.38 -1.27 -2.80 115.31 119.17 2wx5 h LEU 238 Ca -0.03 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.70 2wx5 h LEU 238 Cb 0.49 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.26 2wx5 h LEU 238 CO 0.05 0.00 -1.07 0.28 0.09 0.00 0.00 178.44 177.79 2wx5 h SER 239 N 0.00 0.60 -0.88 -0.43 0.02 -0.71 -0.28 113.55 111.87 2wx5 h SER 239 Ca 0.01 -0.94 0.23 0.00 -0.84 0.00 0.00 61.79 60.24 2wx5 h SER 239 Cb 0.03 -0.19 -0.16 0.00 0.14 0.00 0.00 62.40 62.22 2wx5 h SER 239 CO -0.00 1.51 0.06 0.00 -1.14 0.00 0.00 176.83 177.27 2wx5 h ALA 240 N 0.10 1.04 0.00 3.77 0.00 -0.45 -0.27 119.26 123.46 2wx5 h ALA 240 Ca -0.19 0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2wx5 h ALA 240 Cb 1.83 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 20.08 2wx5 h ALA 240 CO 0.19 -0.49 -0.72 0.28 0.00 0.00 0.00 179.25 178.51 2wx5 h VAL 241 N 0.09 0.47 -0.02 0.00 2.07 -1.24 0.11 116.25 117.73 2wx5 h VAL 241 Ca 0.52 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2wx5 h VAL 241 Cb 1.01 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 2wx5 h VAL 241 CO -0.77 0.27 -0.03 0.15 0.02 0.00 0.00 177.57 177.20 2wx5 h PHE 242 N 0.00 0.07 -0.27 1.57 3.57 -0.30 -2.28 116.94 119.30 2wx5 h PHE 242 Ca -0.04 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.34 2wx5 h PHE 242 Cb 1.30 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 2wx5 h PHE 242 CO 0.00 0.57 -0.24 0.74 -2.23 0.00 0.00 178.31 177.15 2wx5 h PHE 243 N -0.45 0.57 -0.32 0.41 0.04 -0.99 -1.39 116.94 114.81 2wx5 h PHE 243 Ca 0.00 -0.12 0.07 0.00 2.80 0.00 0.00 57.97 60.72 2wx5 h PHE 243 Cb 0.56 -0.14 -0.07 0.00 2.20 0.00 0.00 35.95 38.50 2wx5 h PHE 243 CO 0.11 0.71 -0.14 0.77 -0.60 0.00 0.00 178.31 179.16 2wx5 h SER 244 N 0.45 -0.47 0.19 2.17 0.02 -0.71 0.51 113.55 115.71 2wx5 h SER 244 Ca 0.07 0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 61.04 2wx5 h SER 244 Cb 0.66 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2wx5 h SER 244 CO 0.05 -0.17 -0.34 0.00 -1.14 0.00 0.00 176.83 175.23 2wx5 h ALA 245 N 1.17 1.23 -0.17 3.77 0.00 -1.10 -2.96 119.26 121.21 2wx5 h ALA 245 Ca 0.16 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 2wx5 h ALA 245 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wx5 h ALA 245 CO -0.37 0.52 -0.50 1.25 0.00 0.00 0.00 179.25 180.15 2wx5 h LEU 246 N 0.20 0.73 -2.34 0.00 5.85 -0.17 -2.10 115.31 117.48 2wx5 h LEU 246 Ca 0.02 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 2wx5 h LEU 246 Cb 0.69 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2wx5 h LEU 246 CO 0.05 1.19 -0.03 0.00 -0.34 0.00 0.00 178.44 179.32 2wx5 n MET 248 N -3.30 0.65 0.11 0.00 2.81 -1.11 -3.63 117.12 112.64 2wx5 n MET 248 Ca -0.02 0.05 0.01 0.00 -1.81 0.00 0.00 57.70 55.92 2wx5 n MET 248 Cb 0.16 -1.66 -0.02 0.00 -0.71 0.00 0.00 33.22 31.00 2wx5 n MET 248 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 2wx5 h ILE 249 N 0.00 0.90 -0.00 2.02 6.09 -0.87 -2.79 117.51 122.85 2wx5 h ILE 249 Ca -0.20 -2.33 0.00 0.00 -1.37 0.00 0.00 64.86 60.95 2wx5 h ILE 249 Cb 1.55 2.40 0.00 0.00 0.47 0.00 0.00 36.82 41.24 2wx5 h ILE 249 CO 0.03 0.51 -0.17 2.30 -3.07 0.00 0.00 178.15 177.75 2wx5 n ILE 250 N -3.17 0.00 -3.42 2.19 -5.35 -0.98 -4.71 119.36 103.92 2wx5 n ILE 250 Ca -0.01 -0.04 -0.41 0.00 -0.27 0.00 0.00 62.75 62.02 2wx5 n ILE 250 Cb 0.78 -0.09 -0.09 0.00 -1.74 0.00 0.00 39.64 38.50 2wx5 n ILE 250 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2wx5 s THR 251 N -2.67 5.18 0.00 7.28 2.01 -1.06 -2.30 115.64 124.08 2wx5 s THR 251 Ca 0.22 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.17 2wx5 s THR 251 Cb 0.19 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.87 2wx5 s THR 251 CO 0.53 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 2wx5 n GLY 252 N 5.00 0.97 0.00 4.40 0.00 0.87 -4.94 105.19 111.49 2wx5 n GLY 252 Ca -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2wx5 n GLY 252 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wx5 n THR 253 N -2.31 0.00 0.00 2.61 -2.24 -1.25 -4.87 114.28 106.22 2wx5 n THR 253 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wx5 n THR 253 Cb 0.07 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 2wx5 n THR 253 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2wx5 n ILE 254 N -1.04 0.00 -4.48 2.28 -6.64 -1.20 -4.99 119.36 103.29 2wx5 n ILE 254 Ca 0.00 0.00 -0.23 0.00 -1.77 0.00 0.00 62.75 60.75 2wx5 n ILE 254 Cb 0.00 -0.25 -0.16 0.00 -1.44 0.00 0.00 39.64 37.78 2wx5 n ILE 254 CO 0.00 0.00 0.00 0.86 -1.77 0.00 0.00 176.55 175.64 2wx5 s TRP 255 N -1.26 1.25 0.00 4.28 -0.11 -0.97 -4.99 118.94 117.13 2wx5 s TRP 255 Ca 0.00 -0.44 0.00 0.00 1.22 0.00 0.00 56.10 56.88 2wx5 s TRP 255 Cb 0.00 -0.95 0.00 0.00 -1.50 0.00 0.00 33.47 31.02 2wx5 s TRP 255 CO 0.00 -0.24 0.29 1.97 -4.62 0.00 0.00 176.95 174.34 2wx5 n PHE 256 N 3.83 0.00 -0.63 5.86 1.16 -1.26 -0.09 117.46 126.33 2wx5 n PHE 256 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.35 2wx5 n PHE 256 Cb 0.52 0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.40 2wx5 n PHE 256 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 2wx5 n ASP 257 N 0.00 0.00 -4.65 5.98 8.00 -1.26 -4.91 116.55 119.71 2wx5 n ASP 257 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 2wx5 n ASP 257 Cb 0.41 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 2wx5 n ASP 257 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2wx5 s GLN 258 N 1.51 4.18 0.25 -1.24 -1.52 -1.26 -4.60 119.66 116.97 2wx5 s GLN 258 Ca 0.00 0.68 -0.04 0.00 -1.95 0.00 0.00 55.36 54.05 2wx5 s GLN 258 Cb 0.00 -3.61 0.50 0.00 -0.22 0.00 0.00 33.01 29.67 2wx5 s GLN 258 CO 0.00 -0.36 1.67 -1.49 -0.25 0.00 0.00 175.29 174.87 2wx5 h TRP 259 N 7.65 0.25 -0.62 0.91 4.06 -1.55 0.20 115.95 126.84 2wx5 h TRP 259 Ca -0.28 0.05 0.18 0.00 2.06 0.00 0.00 58.89 60.89 2wx5 h TRP 259 Cb 1.13 0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 29.27 2wx5 h TRP 259 CO 0.73 -0.12 0.62 -0.24 -3.56 0.00 0.00 178.44 175.88 2wx5 h VAL 260 N 0.24 0.33 0.00 1.49 3.04 -1.81 -1.47 116.25 118.08 2wx5 h VAL 260 Ca 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.13 2wx5 h VAL 260 Cb 0.77 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2wx5 h VAL 260 CO -0.55 0.00 -0.14 0.44 -1.01 0.00 0.00 177.57 176.32 2wx5 h ASP 261 N 0.00 0.00 -0.06 3.17 3.32 -0.98 -3.11 116.42 118.76 2wx5 h ASP 261 Ca 0.30 -0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.36 2wx5 h ASP 261 Cb 1.53 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.08 2wx5 h ASP 261 CO -0.00 0.00 0.05 -0.25 -1.72 0.00 0.00 179.24 177.32 2wx5 h TRP 262 N 0.00 0.00 0.00 4.55 7.01 -1.33 -2.57 115.95 123.61 2wx5 h TRP 262 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2wx5 h TRP 262 Cb 0.98 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.04 2wx5 h TRP 262 CO 0.00 0.00 0.00 0.91 -2.79 0.00 0.00 178.44 176.56 2wx5 n TRP 263 N -4.25 0.00 0.19 2.65 7.02 -1.17 -2.92 117.44 118.96 2wx5 n TRP 263 Ca -0.02 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.54 2wx5 n TRP 263 Cb 0.15 -0.18 0.32 0.00 -2.42 0.00 0.00 31.31 29.18 2wx5 n TRP 263 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 2wx5 h GLN 264 N 0.00 0.00 -0.88 -0.99 1.08 -1.68 -3.21 115.11 109.43 2wx5 h GLN 264 Ca 0.00 0.00 0.21 0.00 -1.45 0.00 0.00 58.65 57.41 2wx5 h GLN 264 Cb 0.12 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.43 2wx5 h GLN 264 CO 0.00 0.33 0.38 0.11 -0.95 0.00 0.00 178.83 178.69 2wx5 h TRP 265 N 0.00 0.63 -0.19 2.96 5.08 -1.77 -0.03 115.95 122.61 2wx5 h TRP 265 Ca -0.00 0.04 -0.02 0.00 1.08 0.00 0.00 58.89 59.99 2wx5 h TRP 265 Cb 0.94 -0.14 -0.01 0.00 -3.00 0.00 0.00 29.16 26.96 2wx5 h TRP 265 CO 0.00 -0.03 0.04 2.35 -1.28 0.00 0.00 178.44 179.52 2wx5 h TRP 266 N 0.41 0.33 -0.38 0.12 2.91 -1.82 -3.27 115.95 114.25 2wx5 h TRP 266 Ca 0.54 -0.04 -0.15 0.00 1.13 0.00 0.00 58.89 60.37 2wx5 h TRP 266 Cb 0.99 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 29.54 2wx5 h TRP 266 CO -0.15 0.44 -0.36 0.28 -1.03 0.00 0.00 178.44 177.62 2wx5 h VAL 267 N 0.13 1.28 -0.26 2.65 2.07 -1.29 -3.17 116.25 117.65 2wx5 h VAL 267 Ca 0.06 -1.54 -0.14 0.00 0.82 0.00 0.00 66.70 65.90 2wx5 h VAL 267 Cb 0.28 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 2wx5 h VAL 267 CO 0.00 0.51 0.18 0.29 0.02 0.00 0.00 177.57 178.57 2wx5 n LYS 268 N -4.06 1.34 -2.86 1.57 4.76 -0.16 -4.05 118.16 114.70 2wx5 n LYS 268 Ca -0.02 -0.80 -0.40 0.00 -2.87 0.00 0.00 58.31 54.22 2wx5 n LYS 268 Cb 0.53 -1.31 -0.05 0.00 -1.84 0.00 0.00 35.03 32.36 2wx5 n LYS 268 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wx5 s LEU 269 N -0.88 4.47 0.17 -0.35 1.43 -1.20 -4.87 118.68 117.45 2wx5 s LEU 269 Ca 0.15 1.61 -0.23 0.00 -1.03 0.00 0.00 54.13 54.63 2wx5 s LEU 269 Cb 0.13 -3.40 0.05 0.00 0.03 0.00 0.00 46.19 42.99 2wx5 s LEU 269 CO 0.02 -0.03 1.38 -2.65 0.23 0.00 0.00 176.35 175.30 2wx5 n PRO 270 N 2.84 -0.32 0.00 1.29 -0.02 -1.26 -1.09 135.00 136.44 2wx5 n PRO 270 Ca 0.00 1.36 0.04 0.00 -2.02 0.00 0.00 63.50 62.88 2wx5 n PRO 270 Cb 0.50 -2.01 0.24 0.00 -0.02 0.00 0.00 33.50 32.20 2wx5 n PRO 270 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 2wx5 n TRP 271 N -5.20 0.00 -1.38 6.00 2.14 -1.26 -3.27 117.44 114.47 2wx5 n TRP 271 Ca 0.05 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.62 2wx5 n TRP 271 Cb 0.28 -0.04 0.00 0.00 -0.81 0.00 0.00 31.31 30.75 2wx5 n TRP 271 CO 0.00 0.00 0.00 -2.67 2.07 0.00 0.00 177.69 177.09 2wx5 n TRP 272 N -1.04 0.00 -0.32 -2.67 2.14 -0.84 -4.97 117.44 109.74 2wx5 n TRP 272 Ca 0.06 0.00 0.03 0.00 2.07 0.00 0.00 57.50 59.66 2wx5 n TRP 272 Cb 0.03 0.02 0.09 0.00 -0.81 0.00 0.00 31.31 30.65 2wx5 n TRP 272 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2wx5 n ALA 273 N 0.00 0.09 0.65 -1.67 0.00 -0.25 -3.08 120.51 116.26 2wx5 n ALA 273 Ca 0.00 0.91 0.07 0.00 0.00 0.00 0.00 53.44 54.42 2wx5 n ALA 273 Cb 0.17 -0.50 0.01 0.00 0.00 0.00 0.00 19.45 19.13 2wx5 n ALA 273 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2wx5 n ASN 274 N -5.35 1.64 -4.64 0.00 4.13 -1.26 -4.91 115.26 104.87 2wx5 n ASN 274 Ca 0.12 -1.32 -0.44 0.00 1.68 0.00 0.00 54.58 54.62 2wx5 n ASN 274 Cb 0.40 0.41 -0.02 0.00 -1.54 0.00 0.00 39.78 39.03 2wx5 n ASN 274 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2wx5 n ILE 275 N -0.01 1.76 -2.64 2.41 5.41 -1.18 -4.97 119.36 120.14 2wx5 n ILE 275 Ca 0.07 -0.44 -0.25 0.00 1.00 0.00 0.00 62.75 63.13 2wx5 n ILE 275 Cb 0.32 -1.29 0.02 0.00 -0.71 0.00 0.00 39.64 37.99 2wx5 n ILE 275 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2wx5 s PRO 276 N -1.42 2.98 0.28 0.38 0.04 -1.26 -4.64 135.00 131.35 2wx5 s PRO 276 Ca 0.60 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.43 2wx5 s PRO 276 Cb -0.65 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2wx5 s PRO 276 CO 0.59 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.51 2wx5 n GLY 277 N -2.37 -2.29 7.00 0.56 0.00 -1.26 -4.95 105.19 101.88 2wx5 n GLY 277 Ca 0.03 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.21 2wx5 n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wx5 n GLY 278 N -0.10 0.73 0.13 -0.02 0.00 -1.26 -2.38 105.19 102.29 2wx5 n GLY 278 Ca 0.00 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 2wx5 n GLY 278 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wx5 n ILE 279 N 0.00 1.61 -0.49 -0.61 2.08 -1.26 -4.56 119.36 116.12 2wx5 n ILE 279 Ca 0.00 -0.59 0.09 0.00 0.56 0.00 0.00 62.75 62.81 2wx5 n ILE 279 Cb 0.00 -1.56 0.35 0.00 -0.75 0.00 0.00 39.64 37.67 2wx5 n ILE 279 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2wx5 n ASN 280 N -3.39 4.53 0.00 4.38 5.03 -1.26 -5.27 115.26 119.28 2wx5 n ASN 280 Ca -0.41 -2.37 0.00 0.00 0.87 0.00 0.00 54.58 52.67 2wx5 n ASN 280 Cb 1.01 -0.56 0.00 0.00 -1.02 0.00 0.00 39.78 39.20 2wx5 n ASN 280 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04