#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wx5 s GLU 2 N 0.00 0.81 -0.03 0.00 -1.05 -1.26 -5.05 118.70 112.12 2wx5 s GLU 2 Ca 0.00 0.42 -0.03 0.00 -0.15 0.00 0.00 54.97 55.21 2wx5 s GLU 2 Cb 0.00 -1.79 -0.04 0.00 -0.44 0.00 0.00 34.13 31.86 2wx5 s GLU 2 CO 0.00 -2.45 0.17 -0.47 0.95 0.00 0.00 175.26 173.45 2wx5 s TYR 3 N -3.11 3.54 -0.04 4.83 5.04 -1.26 -5.02 117.35 121.32 2wx5 s TYR 3 Ca 0.64 0.38 0.09 0.00 -2.44 0.00 0.00 57.07 55.74 2wx5 s TYR 3 Cb -0.17 -1.84 -0.14 0.00 0.35 0.00 0.00 41.96 40.16 2wx5 s TYR 3 CO 0.56 0.66 0.21 1.04 -1.34 0.00 0.00 175.55 176.67 2wx5 n GLN 4 N 1.17 0.57 -2.25 4.97 1.13 -1.26 -5.02 117.38 116.69 2wx5 n GLN 4 Ca -0.13 -0.08 -0.16 0.00 -1.94 0.00 0.00 57.00 54.70 2wx5 n GLN 4 Cb 0.53 -1.19 -0.01 0.00 0.11 0.00 0.00 30.24 29.68 2wx5 n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2wx5 n ASN 5 N -1.77 -4.73 0.05 1.08 5.15 -1.26 -4.92 115.26 108.86 2wx5 n ASN 5 Ca -0.01 0.01 -0.20 0.00 -0.60 0.00 0.00 54.58 53.77 2wx5 n ASN 5 Cb 0.23 -3.84 -0.11 0.00 -0.53 0.00 0.00 39.78 35.52 2wx5 n ASN 5 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 2wx5 h ILE 6 N 0.00 1.32 -4.34 -1.44 1.08 -1.96 -3.46 117.51 108.72 2wx5 h ILE 6 Ca -0.37 -2.28 -0.57 0.00 -0.39 0.00 0.00 64.86 61.25 2wx5 h ILE 6 Cb 1.26 2.55 -0.29 0.00 -3.07 0.00 0.00 36.82 37.27 2wx5 h ILE 6 CO 0.44 0.69 -0.84 -0.36 -0.69 0.00 0.00 178.15 177.39 2wx5 s PHE 7 N -3.16 1.70 0.39 1.37 0.08 -1.26 -4.76 117.98 112.34 2wx5 s PHE 7 Ca -0.11 -0.33 -0.27 0.00 0.12 0.00 0.00 56.93 56.35 2wx5 s PHE 7 Cb 0.05 -1.08 -0.09 0.00 -0.57 0.00 0.00 43.02 41.33 2wx5 s PHE 7 CO 0.90 -0.01 1.35 -1.12 -0.10 0.00 0.00 175.22 176.24 2wx5 s SER 8 N -0.54 6.35 0.30 1.36 0.01 0.25 -4.96 113.70 116.46 2wx5 s SER 8 Ca 0.07 2.76 0.23 0.00 1.31 0.00 0.00 55.95 60.32 2wx5 s SER 8 Cb -0.07 -2.65 0.18 0.00 0.21 0.00 0.00 66.02 63.69 2wx5 s SER 8 CO -0.00 -0.83 1.31 1.56 0.41 0.00 0.00 173.24 175.69 2wx5 h GLN 9 N 2.83 0.00 -2.81 12.44 4.20 -1.97 -3.46 115.11 126.34 2wx5 h GLN 9 Ca -0.50 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.03 2wx5 h GLN 9 Cb 1.24 0.00 -0.31 0.00 0.30 0.00 0.00 27.48 28.72 2wx5 h GLN 9 CO 0.63 0.00 -0.47 0.08 -0.67 0.00 0.00 178.83 178.40 2wx5 s VAL 10 N -3.28 -0.35 0.32 -0.54 1.01 -1.26 -5.15 120.40 111.14 2wx5 s VAL 10 Ca 0.03 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.20 2wx5 s VAL 10 Cb 0.08 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 2wx5 s VAL 10 CO 0.73 0.09 0.57 -1.10 0.00 0.00 0.00 175.10 175.39 2wx5 s GLN 11 N 2.14 3.58 -0.02 2.72 -0.21 -1.26 -5.09 119.66 121.52 2wx5 s GLN 11 Ca -0.02 -0.08 0.02 0.00 0.02 0.00 0.00 55.36 55.30 2wx5 s GLN 11 Cb -0.11 -2.63 0.00 0.00 1.00 0.00 0.00 33.01 31.27 2wx5 s GLN 11 CO -0.10 0.17 -0.06 0.14 -2.12 0.00 0.00 175.29 173.32 2wx5 s VAL 12 N -2.19 0.54 0.06 1.09 -7.23 -1.26 -5.15 120.40 106.26 2wx5 s VAL 12 Ca 0.43 -0.24 0.08 0.00 -1.81 0.00 0.00 61.98 60.44 2wx5 s VAL 12 Cb -0.10 -0.49 -0.03 0.00 0.56 0.00 0.00 36.38 36.32 2wx5 s VAL 12 CO 0.33 0.18 -0.23 -0.60 -0.31 0.00 0.00 175.10 174.46 2wx5 s ARG 13 N 0.16 1.47 0.00 4.82 3.52 -1.26 -5.04 118.95 122.63 2wx5 s ARG 13 Ca -0.02 -1.05 0.00 0.00 -0.13 0.00 0.00 55.73 54.53 2wx5 s ARG 13 Cb -0.06 -1.66 0.00 0.00 -1.56 0.00 0.00 34.95 31.67 2wx5 s ARG 13 CO -0.00 0.42 0.00 0.41 -0.81 0.00 0.00 175.30 175.32 2wx5 n GLY 14 N 1.66 5.77 3.77 8.12 0.00 -1.26 -5.13 105.19 118.12 2wx5 n GLY 14 Ca -0.17 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 2wx5 n GLY 14 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wx5 s PRO 15 N 0.55 3.94 0.07 1.61 0.02 -1.26 -4.88 135.00 135.05 2wx5 s PRO 15 Ca 0.00 2.40 -0.35 0.00 0.02 0.00 0.00 61.00 63.07 2wx5 s PRO 15 Cb 0.00 -2.82 -0.14 0.00 0.02 0.00 0.00 34.50 31.56 2wx5 s PRO 15 CO 0.00 -0.60 1.59 0.00 -0.33 0.00 0.00 177.00 177.66 2wx5 n ALA 16 N 0.17 0.66 -2.46 -1.55 0.00 -1.26 -4.95 120.51 111.12 2wx5 n ALA 16 Ca 0.03 0.43 -0.41 0.00 0.00 0.00 0.00 53.44 53.49 2wx5 n ALA 16 Cb 0.41 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.51 2wx5 n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wx5 s ASP 17 N 1.57 7.30 0.00 0.00 -1.08 -1.26 -4.94 116.67 118.26 2wx5 s ASP 17 Ca 0.84 1.56 0.13 0.00 -0.52 0.00 0.00 52.55 54.56 2wx5 s ASP 17 Cb -0.77 -2.52 -0.06 0.00 -1.46 0.00 0.00 42.92 38.12 2wx5 s ASP 17 CO 0.44 -0.08 0.67 0.18 0.52 0.00 0.00 175.17 176.90 2wx5 n LEU 18 N 3.15 1.10 0.00 -1.34 4.77 -1.26 -4.70 117.00 118.72 2wx5 n LEU 18 Ca 0.01 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 2wx5 n LEU 18 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2wx5 n LEU 18 CO 0.49 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2wx5 n GLY 19 N 1.15 -3.06 3.97 -0.72 0.00 -1.26 -4.95 105.19 100.32 2wx5 n GLY 19 Ca 0.04 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.93 2wx5 n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wx5 s MET 20 N -0.63 3.09 -0.08 1.61 1.00 -1.26 -5.04 119.30 118.00 2wx5 s MET 20 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 55.69 54.89 2wx5 s MET 20 Cb 0.00 -2.71 -0.04 0.00 0.00 0.00 0.00 34.83 32.08 2wx5 s MET 20 CO 0.00 -0.08 -0.08 2.41 0.00 0.00 0.00 175.02 177.26 2wx5 n THR 21 N -1.83 0.42 0.00 2.05 -1.04 -1.26 -4.96 114.28 107.66 2wx5 n THR 21 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 2wx5 n THR 21 Cb 0.58 -1.22 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 2wx5 n THR 21 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2wx5 n GLU 22 N -3.06 0.00 -1.00 -2.82 -0.58 -1.26 -0.34 120.64 111.58 2wx5 n GLU 22 Ca -0.14 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.51 2wx5 n GLU 22 Cb 0.62 0.00 0.26 0.00 -0.57 0.00 0.00 31.44 31.75 2wx5 n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2wx5 n ASP 23 N 0.42 4.48 -4.81 1.62 8.00 -0.87 -4.95 116.55 120.44 2wx5 n ASP 23 Ca 0.00 -3.20 -0.34 0.00 0.71 0.00 0.00 54.79 51.96 2wx5 n ASP 23 Cb 0.00 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 40.29 2wx5 n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wx5 s VAL 24 N -2.85 4.23 -0.69 2.53 1.01 0.54 -4.81 120.40 120.36 2wx5 s VAL 24 Ca 0.52 1.47 -0.23 0.00 0.00 0.00 0.00 61.98 63.73 2wx5 s VAL 24 Cb 0.42 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 33.22 2wx5 s VAL 24 CO 0.12 -0.22 1.04 0.21 0.00 0.00 0.00 175.10 176.25 2wx5 s ASN 25 N -2.03 6.18 0.15 3.32 2.47 -1.26 -4.94 114.94 118.83 2wx5 s ASN 25 Ca 0.61 -0.91 0.13 0.00 0.42 0.00 0.00 52.86 53.11 2wx5 s ASN 25 Cb -0.12 -2.45 0.64 0.00 -1.45 0.00 0.00 41.25 37.87 2wx5 s ASN 25 CO 0.16 -1.52 1.41 0.18 -3.72 0.00 0.00 177.10 173.61 2wx5 n LEU 26 N 8.04 0.29 0.25 3.21 4.77 -1.26 -1.36 117.00 130.94 2wx5 n LEU 26 Ca -0.01 0.61 0.11 0.00 -0.03 0.00 0.00 56.01 56.69 2wx5 n LEU 26 Cb 0.46 -0.62 0.65 0.00 -2.33 0.00 0.00 43.42 41.58 2wx5 n LEU 26 CO 0.65 -0.62 0.92 0.00 -1.33 0.00 0.00 177.39 177.02 2wx5 h ALA 27 N 2.12 1.23 -0.00 -1.18 0.00 -2.00 -3.05 119.26 116.38 2wx5 h ALA 27 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wx5 h ALA 27 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wx5 h ALA 27 CO 0.00 0.20 -0.45 0.09 0.00 0.00 0.00 179.25 179.09 2wx5 n ASN 28 N -3.61 0.55 -4.77 0.00 3.02 -0.46 -4.86 115.26 105.13 2wx5 n ASN 28 Ca -0.01 -0.31 -0.39 0.00 -0.03 0.00 0.00 54.58 53.84 2wx5 n ASN 28 Cb 0.29 0.21 -0.05 0.00 -0.61 0.00 0.00 39.78 39.61 2wx5 n ASN 28 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2wx5 s ARG 29 N -2.93 4.62 0.00 3.52 0.52 -1.15 -1.66 118.95 121.86 2wx5 s ARG 29 Ca 0.13 1.51 0.00 0.00 -0.52 0.00 0.00 55.73 56.85 2wx5 s ARG 29 Cb 0.18 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.65 2wx5 s ARG 29 CO 0.67 0.27 0.00 -1.13 0.02 0.00 0.00 175.30 175.13 2wx5 n SER 30 N 0.89 -0.79 -4.67 0.23 3.41 0.08 -4.96 113.62 107.82 2wx5 n SER 30 Ca 0.01 -0.10 -0.25 0.00 -0.26 0.00 0.00 58.87 58.26 2wx5 n SER 30 Cb 0.48 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 2wx5 n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2wx5 s GLY 31 N -1.60 2.15 0.88 5.00 0.00 -1.26 -4.76 107.32 107.73 2wx5 s GLY 31 Ca 0.00 -2.01 -0.14 0.00 0.00 0.00 0.00 44.72 42.57 2wx5 s GLY 31 CO 0.00 -1.90 0.30 3.33 0.00 0.00 0.00 173.10 174.82 2wx5 n VAL 32 N -1.04 0.53 -2.01 1.40 0.24 -1.26 -4.46 118.33 111.73 2wx5 n VAL 32 Ca -0.03 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 2wx5 n VAL 32 Cb 0.63 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 2wx5 n VAL 32 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wx5 n GLY 33 N 1.78 1.50 0.61 7.63 0.00 -0.85 -4.89 105.19 110.97 2wx5 n GLY 33 Ca 0.07 -2.00 -0.06 0.00 0.00 0.00 0.00 46.02 44.03 2wx5 n GLY 33 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wx5 n PRO 34 N -0.31 -1.96 -4.05 1.61 -0.02 -1.26 -4.68 135.00 124.33 2wx5 n PRO 34 Ca 0.00 -0.29 -0.24 0.00 -2.02 0.00 0.00 63.50 60.95 2wx5 n PRO 34 Cb 0.00 -0.32 -0.17 0.00 -0.02 0.00 0.00 33.50 32.99 2wx5 n PRO 34 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2wx5 s PHE 35 N -1.28 1.13 -0.76 6.00 0.40 -1.26 -2.55 117.98 119.65 2wx5 s PHE 35 Ca 0.13 -0.46 -0.07 0.00 -0.60 0.00 0.00 56.93 55.93 2wx5 s PHE 35 Cb -0.02 -0.98 0.20 0.00 0.51 0.00 0.00 43.02 42.73 2wx5 s PHE 35 CO 0.10 -0.36 0.64 0.45 0.70 0.00 0.00 175.22 176.76 2wx5 s SER 36 N 1.41 6.00 0.44 1.36 0.15 0.13 -4.89 113.70 118.30 2wx5 s SER 36 Ca -0.02 -2.97 0.36 0.00 0.70 0.00 0.00 55.95 54.02 2wx5 s SER 36 Cb -0.13 -2.01 1.41 0.00 -1.71 0.00 0.00 66.02 63.58 2wx5 s SER 36 CO -0.04 -0.41 1.37 0.41 1.20 0.00 0.00 173.24 175.78 2wx5 n THR 37 N 3.44 -0.12 0.26 6.45 -1.04 -1.26 -1.18 114.28 120.83 2wx5 n THR 37 Ca 0.13 1.45 -0.11 0.00 -2.04 0.00 0.00 64.05 63.48 2wx5 n THR 37 Cb 0.41 -2.40 -0.05 0.00 -1.82 0.00 0.00 70.33 66.47 2wx5 n THR 37 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2wx5 h LEU 38 N 0.00 -0.58 -0.88 -4.42 5.85 -1.96 -3.08 115.31 110.24 2wx5 h LEU 38 Ca 0.80 0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.77 2wx5 h LEU 38 Cb 2.90 0.15 -0.14 0.00 0.37 0.00 0.00 40.66 43.94 2wx5 h LEU 38 CO -0.22 -0.31 0.28 -0.07 -0.34 0.00 0.00 178.44 177.78 2wx5 h LEU 39 N -0.90 0.09 -0.62 2.25 3.38 -1.47 -0.79 115.31 117.25 2wx5 h LEU 39 Ca -0.07 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2wx5 h LEU 39 Cb 0.53 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2wx5 h LEU 39 CO 0.12 -0.12 0.05 0.61 0.09 0.00 0.00 178.44 179.19 2wx5 n GLY 40 N -1.36 -0.62 0.12 0.83 0.00 -0.48 -0.29 105.19 103.39 2wx5 n GLY 40 Ca 0.21 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.45 2wx5 n GLY 40 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2wx5 h TRP 41 N 0.00 0.00 0.00 1.61 4.06 -1.08 -3.40 115.95 117.14 2wx5 h TRP 41 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2wx5 h TRP 41 Cb 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 2wx5 h TRP 41 CO 0.00 0.00 -0.76 0.34 -3.56 0.00 0.00 178.44 174.46 2wx5 n PHE 42 N -2.31 0.00 -2.33 0.49 7.35 0.11 -0.59 117.46 120.18 2wx5 n PHE 42 Ca 0.04 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.73 2wx5 n PHE 42 Cb 0.35 0.09 0.00 0.00 0.35 0.00 0.00 39.48 40.27 2wx5 n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2wx5 n GLY 43 N 2.73 5.88 3.76 7.13 0.00 0.61 -4.89 105.19 120.40 2wx5 n GLY 43 Ca 0.00 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.85 2wx5 n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wx5 s ASN 44 N 1.00 7.10 0.32 1.61 0.01 -1.26 -3.88 114.94 119.85 2wx5 s ASN 44 Ca 0.00 2.31 0.24 0.00 -0.71 0.00 0.00 52.86 54.70 2wx5 s ASN 44 Cb 0.00 -2.63 0.46 0.00 0.41 0.00 0.00 41.25 39.49 2wx5 s ASN 44 CO 0.00 -0.26 1.59 0.00 -1.51 0.00 0.00 177.10 176.92 2wx5 h ALA 45 N 3.55 0.93 -2.23 0.60 0.00 -1.86 -3.37 119.26 116.87 2wx5 h ALA 45 Ca -0.47 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 53.86 2wx5 h ALA 45 Cb 1.22 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 2wx5 h ALA 45 CO 0.66 0.00 0.58 -1.14 0.00 0.00 0.00 179.25 179.35 2wx5 s GLN 46 N -3.19 4.27 0.15 0.00 0.74 -1.26 0.21 119.66 120.59 2wx5 s GLN 46 Ca 0.07 1.17 -0.10 0.00 0.05 0.00 0.00 55.36 56.56 2wx5 s GLN 46 Cb 0.08 -3.61 -0.06 0.00 1.10 0.00 0.00 33.01 30.52 2wx5 s GLN 46 CO 0.66 -0.49 0.47 -0.51 -0.55 0.00 0.00 175.29 174.87 2wx5 s LEU 47 N 2.71 4.27 0.00 3.68 1.43 -1.06 -4.99 118.68 124.72 2wx5 s LEU 47 Ca 0.41 0.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 2wx5 s LEU 47 Cb -0.16 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2wx5 s LEU 47 CO 0.09 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.34 2wx5 n GLY 48 N 0.38 -0.72 3.74 -3.19 0.00 -1.26 -2.01 105.19 102.13 2wx5 n GLY 48 Ca -0.04 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 2wx5 n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wx5 s PRO 49 N -1.32 0.82 0.20 1.61 0.04 -1.26 -4.55 135.00 130.54 2wx5 s PRO 49 Ca 0.00 0.40 0.11 0.00 0.04 0.00 0.00 61.00 61.55 2wx5 s PRO 49 Cb 0.00 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.70 2wx5 s PRO 49 CO 0.00 -2.44 -0.22 -1.50 0.04 0.00 0.00 177.00 172.88 2wx5 s ILE 50 N -3.13 2.23 -0.21 0.56 2.07 -1.26 -4.93 121.20 116.52 2wx5 s ILE 50 Ca 0.64 -2.06 -0.14 0.00 -1.41 0.00 0.00 60.65 57.69 2wx5 s ILE 50 Cb -0.17 -2.08 -0.04 0.00 0.13 0.00 0.00 42.46 40.31 2wx5 s ILE 50 CO 0.55 -0.21 0.32 -0.47 -1.91 0.00 0.00 174.94 173.23 2wx5 s TYR 51 N -1.89 3.36 0.00 3.50 6.14 -1.26 -0.74 117.35 126.46 2wx5 s TYR 51 Ca 0.21 0.50 0.00 0.00 0.64 0.00 0.00 57.07 58.42 2wx5 s TYR 51 Cb -0.07 -2.44 0.00 0.00 0.42 0.00 0.00 41.96 39.87 2wx5 s TYR 51 CO 0.10 0.03 0.00 1.47 0.64 0.00 0.00 175.55 177.78 2wx5 n LEU 52 N 4.36 0.46 0.00 6.97 -0.00 -0.66 -4.94 117.00 123.18 2wx5 n LEU 52 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 2wx5 n LEU 52 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 2wx5 n LEU 52 CO 0.39 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.39 2wx5 n GLY 53 N 2.92 -1.90 0.11 1.47 0.00 -1.26 -3.57 105.19 102.96 2wx5 n GLY 53 Ca 0.00 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 2wx5 n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wx5 h SER 54 N 0.00 0.25 -0.62 1.61 0.02 -1.99 -2.97 113.55 109.85 2wx5 h SER 54 Ca 0.00 -0.57 0.10 0.00 -0.84 0.00 0.00 61.79 60.48 2wx5 h SER 54 Cb 0.00 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.39 2wx5 h SER 54 CO 0.00 0.78 0.23 -0.07 -1.14 0.00 0.00 176.83 176.63 2wx5 h LEU 55 N -0.26 0.22 -1.06 5.07 3.38 -1.95 0.12 115.31 120.82 2wx5 h LEU 55 Ca 0.00 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2wx5 h LEU 55 Cb 0.74 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2wx5 h LEU 55 CO 0.03 0.13 -0.10 1.23 0.09 0.00 0.00 178.44 179.82 2wx5 h GLY 56 N 0.41 0.59 1.37 0.83 0.00 -1.61 0.11 103.07 104.76 2wx5 h GLY 56 Ca 0.32 -0.41 -0.32 0.00 0.00 0.00 0.00 47.33 46.92 2wx5 h GLY 56 CO -0.32 0.38 -1.41 -2.08 0.00 0.00 0.00 176.54 173.10 2wx5 h VAL 57 N 0.51 1.34 -0.17 4.60 2.07 -1.28 -0.87 116.25 122.46 2wx5 h VAL 57 Ca 0.10 -2.80 0.03 0.00 0.82 0.00 0.00 66.70 64.84 2wx5 h VAL 57 Cb 0.49 3.01 -0.05 0.00 -1.52 0.00 0.00 31.29 33.22 2wx5 h VAL 57 CO 0.03 0.83 -0.40 0.25 0.02 0.00 0.00 177.57 178.30 2wx5 h LEU 58 N 0.13 -1.30 -0.32 2.57 5.85 -0.56 -0.60 115.31 121.09 2wx5 h LEU 58 Ca -0.22 0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.73 2wx5 h LEU 58 Cb 2.12 0.51 -0.08 0.00 0.37 0.00 0.00 40.66 43.58 2wx5 h LEU 58 CO 0.26 -0.33 -0.20 0.28 -0.34 0.00 0.00 178.44 178.10 2wx5 h SER 59 N -0.38 -0.67 -0.44 1.25 0.02 -0.76 -1.04 113.55 111.54 2wx5 h SER 59 Ca 0.03 0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.08 2wx5 h SER 59 Cb 0.47 0.34 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 2wx5 h SER 59 CO -0.36 -0.24 0.12 0.25 -1.14 0.00 0.00 176.83 175.46 2wx5 h LEU 60 N -0.16 0.72 -0.54 5.07 6.46 -1.09 -2.30 115.31 123.47 2wx5 h LEU 60 Ca 0.17 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2wx5 h LEU 60 Cb 0.42 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 2wx5 h LEU 60 CO -0.42 0.72 0.28 0.15 -0.62 0.00 0.00 178.44 178.54 2wx5 h PHE 61 N 0.75 0.77 -0.24 1.25 3.57 0.14 -3.02 116.94 120.16 2wx5 h PHE 61 Ca 0.17 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 2wx5 h PHE 61 Cb 0.29 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2wx5 h PHE 61 CO 0.02 0.58 -0.08 0.77 -2.23 0.00 0.00 178.31 177.37 2wx5 h SER 62 N 0.73 0.48 0.21 0.41 0.02 -0.96 -0.90 113.55 113.53 2wx5 h SER 62 Ca 0.19 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2wx5 h SER 62 Cb 0.09 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2wx5 h SER 62 CO -0.03 0.75 0.00 1.23 -1.14 0.00 0.00 176.83 177.64 2wx5 h GLY 63 N 0.20 0.00 0.44 -3.77 0.00 -1.43 0.68 103.07 99.18 2wx5 h GLY 63 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.02 2wx5 h GLY 63 CO 0.03 0.00 -2.14 1.04 0.00 0.00 0.00 176.54 175.47 2wx5 n LEU 64 N -2.59 2.70 -0.33 3.11 4.77 -0.99 -2.91 117.00 120.75 2wx5 n LEU 64 Ca -0.01 0.11 0.03 0.00 -0.03 0.00 0.00 56.01 56.11 2wx5 n LEU 64 Cb 0.10 -1.03 0.17 0.00 -2.33 0.00 0.00 43.42 40.33 2wx5 n LEU 64 CO 0.16 0.87 1.20 0.24 -1.33 0.00 0.00 177.39 178.54 2wx5 h MET 65 N 0.05 0.95 -0.54 3.23 2.86 0.52 0.54 114.93 122.54 2wx5 h MET 65 Ca -0.47 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.07 2wx5 h MET 65 Cb 2.00 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 33.42 2wx5 h MET 65 CO 0.04 0.63 0.16 2.35 1.06 0.00 0.00 176.91 181.14 2wx5 h TRP 66 N 0.98 0.83 0.01 -0.22 7.01 0.12 0.19 115.95 124.87 2wx5 h TRP 66 Ca 0.41 -0.07 -0.24 0.00 2.11 0.00 0.00 58.89 61.10 2wx5 h TRP 66 Cb 0.26 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 2wx5 h TRP 66 CO -0.03 0.68 -1.25 0.35 -2.79 0.00 0.00 178.44 175.41 2wx5 h PHE 67 N 0.79 0.05 0.12 2.65 3.57 -1.16 -2.77 116.94 120.19 2wx5 h PHE 67 Ca 0.18 -0.04 -0.27 0.00 3.53 0.00 0.00 57.97 61.37 2wx5 h PHE 67 Cb 0.25 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 2wx5 h PHE 67 CO 0.01 1.04 -1.26 0.74 -2.23 0.00 0.00 178.31 176.61 2wx5 h PHE 68 N 0.01 0.44 -0.21 0.41 0.05 0.17 -1.87 116.94 115.93 2wx5 h PHE 68 Ca -0.11 -0.32 0.03 0.00 3.82 0.00 0.00 57.97 61.39 2wx5 h PHE 68 Cb 1.86 -0.02 -0.03 0.00 2.00 0.00 0.00 35.95 39.77 2wx5 h PHE 68 CO 0.01 1.27 0.02 1.15 -0.18 0.00 0.00 178.31 180.58 2wx5 h THR 69 N 0.07 0.88 -0.44 -1.55 2.02 -0.66 -0.11 112.91 113.12 2wx5 h THR 69 Ca -0.14 -0.03 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 2wx5 h THR 69 Cb 1.96 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 2wx5 h THR 69 CO 0.19 0.02 0.02 0.40 0.37 0.00 0.00 175.52 176.52 2wx5 h ILE 70 N 0.10 1.23 -0.23 3.11 2.04 -1.55 -3.15 117.51 119.05 2wx5 h ILE 70 Ca 0.10 -0.90 -0.11 0.00 1.00 0.00 0.00 64.86 64.95 2wx5 h ILE 70 Cb 0.11 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2wx5 h ILE 70 CO -0.15 0.32 -0.28 1.23 0.00 0.00 0.00 178.15 179.27 2wx5 h GLY 71 N 0.93 0.66 1.26 5.37 0.00 -0.56 -1.94 103.07 108.80 2wx5 h GLY 71 Ca 0.14 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 2wx5 h GLY 71 CO 0.01 0.63 0.39 0.16 0.00 0.00 0.00 176.54 177.73 2wx5 h ILE 72 N 0.30 1.21 -0.46 2.60 3.07 -1.14 -1.02 117.51 122.07 2wx5 h ILE 72 Ca 0.03 -0.52 -0.08 0.00 1.55 0.00 0.00 64.86 65.84 2wx5 h ILE 72 Cb 0.85 0.26 -0.02 0.00 -0.27 0.00 0.00 36.82 37.64 2wx5 h ILE 72 CO 0.07 0.23 -0.04 -0.25 -1.05 0.00 0.00 178.15 177.11 2wx5 h TRP 73 N 0.98 0.86 -0.40 0.16 2.91 -1.49 -0.04 115.95 118.93 2wx5 h TRP 73 Ca 0.25 -0.13 -0.05 0.00 1.13 0.00 0.00 58.89 60.08 2wx5 h TRP 73 Cb 0.02 -0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 28.43 2wx5 h TRP 73 CO 0.01 0.81 0.03 0.74 -1.03 0.00 0.00 178.44 179.00 2wx5 h PHE 74 N 0.73 0.65 -0.38 2.65 -1.00 -0.65 0.31 116.94 119.26 2wx5 h PHE 74 Ca 0.14 -0.07 -0.08 0.00 2.81 0.00 0.00 57.97 60.77 2wx5 h PHE 74 Cb 0.51 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.87 2wx5 h PHE 74 CO 0.03 0.61 -0.08 -1.49 -1.61 0.00 0.00 178.31 175.76 2wx5 h TRP 75 N 0.60 0.81 0.06 -0.55 4.06 -0.88 -2.26 115.95 117.79 2wx5 h TRP 75 Ca 0.13 -0.17 0.03 0.00 2.06 0.00 0.00 58.89 60.93 2wx5 h TRP 75 Cb 0.34 -0.20 -0.05 0.00 -1.00 0.00 0.00 29.16 28.26 2wx5 h TRP 75 CO 0.01 0.86 -0.33 -0.92 -3.56 0.00 0.00 178.44 174.51 2wx5 h TYR 76 N 0.53 -0.90 -0.81 0.49 3.20 -0.42 -0.30 116.97 118.76 2wx5 h TYR 76 Ca 0.10 0.03 0.16 0.00 3.14 0.00 0.00 58.73 62.15 2wx5 h TYR 76 Cb 0.60 0.39 -0.06 0.00 1.54 0.00 0.00 36.73 39.20 2wx5 h TYR 76 CO 0.05 -0.43 0.53 1.96 -1.64 0.00 0.00 178.16 178.64 2wx5 h GLN 77 N -0.52 0.45 -0.00 1.82 4.20 -0.94 0.31 115.11 120.43 2wx5 h GLN 77 Ca 0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2wx5 h GLN 77 Cb 0.57 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2wx5 h GLN 77 CO -0.23 0.30 -0.03 0.00 -0.67 0.00 0.00 178.83 178.20 2wx5 n ALA 78 N -2.50 2.60 -3.13 3.87 0.00 -0.65 -4.91 120.51 115.78 2wx5 n ALA 78 Ca 0.16 -0.19 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 2wx5 n ALA 78 Cb 0.55 -1.45 0.05 0.00 0.00 0.00 0.00 19.45 18.59 2wx5 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wx5 n GLY 79 N 1.22 -0.35 2.86 0.00 0.00 0.10 -2.98 105.19 106.03 2wx5 n GLY 79 Ca 0.16 0.06 -0.03 0.00 0.00 0.00 0.00 46.02 46.21 2wx5 n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wx5 n TRP 80 N -4.48 0.00 -3.14 1.61 7.02 -0.22 -4.95 117.44 113.27 2wx5 n TRP 80 Ca -0.06 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.00 2wx5 n TRP 80 Cb 0.58 -2.08 -0.07 0.00 -2.42 0.00 0.00 31.31 27.32 2wx5 n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2wx5 s ASN 81 N -2.14 6.33 0.36 -0.99 3.84 -1.16 -4.97 114.94 116.22 2wx5 s ASN 81 Ca 0.00 -0.23 0.06 0.00 0.21 0.00 0.00 52.86 52.90 2wx5 s ASN 81 Cb 0.00 -2.31 0.74 0.00 -0.55 0.00 0.00 41.25 39.13 2wx5 s ASN 81 CO 0.00 -0.70 1.94 1.55 -2.79 0.00 0.00 177.10 177.11 2wx5 h PRO 82 N 8.74 0.74 -0.18 0.43 0.13 -1.92 0.31 132.00 140.25 2wx5 h PRO 82 Ca -0.26 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.71 2wx5 h PRO 82 Cb 1.10 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2wx5 h PRO 82 CO 0.86 0.49 -0.40 0.00 -0.23 0.00 0.00 178.00 178.72 2wx5 h ALA 83 N 1.60 0.98 0.14 -0.56 0.00 -1.96 -2.69 119.26 116.76 2wx5 h ALA 83 Ca 0.34 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2wx5 h ALA 83 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wx5 h ALA 83 CO -0.12 0.62 -0.07 0.28 0.00 0.00 0.00 179.25 179.96 2wx5 h VAL 84 N 0.34 0.97 -0.94 0.00 2.07 -1.42 -1.99 116.25 115.27 2wx5 h VAL 84 Ca 0.03 -1.15 0.19 0.00 0.82 0.00 0.00 66.70 66.59 2wx5 h VAL 84 Cb 0.85 1.61 -0.18 0.00 -1.52 0.00 0.00 31.29 32.05 2wx5 h VAL 84 CO 0.07 0.24 -0.24 0.15 0.02 0.00 0.00 177.57 177.81 2wx5 h PHE 85 N -0.80 -0.52 0.66 1.57 3.57 -1.06 0.81 116.94 121.16 2wx5 h PHE 85 Ca -0.02 0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2wx5 h PHE 85 Cb 0.54 0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.66 2wx5 h PHE 85 CO 0.09 -0.41 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.35 2wx5 h LEU 86 N -0.00 -0.85 -1.75 0.59 -0.00 -1.53 -3.08 115.31 108.70 2wx5 h LEU 86 Ca 0.45 0.04 0.20 0.00 -0.00 0.00 0.00 57.88 58.57 2wx5 h LEU 86 Cb 0.68 0.23 -0.05 0.00 -0.00 0.00 0.00 40.66 41.53 2wx5 h LEU 86 CO -0.97 -0.57 0.56 -0.09 -0.00 0.00 0.00 178.44 177.37 2wx5 h ARG 87 N -0.93 0.21 -0.31 1.13 2.43 -0.17 -2.23 114.38 114.52 2wx5 h ARG 87 Ca -0.09 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2wx5 h ARG 87 Cb 0.72 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2wx5 h ARG 87 CO 0.13 0.14 0.00 -0.25 -1.51 0.00 0.00 179.97 178.48 2wx5 n ASP 88 N -4.41 3.06 -0.34 -3.80 8.00 0.06 -4.79 116.55 114.33 2wx5 n ASP 88 Ca 0.17 -2.20 0.10 0.00 0.71 0.00 0.00 54.79 53.57 2wx5 n ASP 88 Cb 0.73 -0.28 0.28 0.00 -0.02 0.00 0.00 41.12 41.83 2wx5 n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2wx5 h LEU 89 N 1.87 0.76 -0.17 0.64 5.85 -1.30 0.38 115.31 123.34 2wx5 h LEU 89 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2wx5 h LEU 89 Cb 0.86 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2wx5 h LEU 89 CO 0.04 0.32 -0.10 0.49 -0.34 0.00 0.00 178.44 178.85 2wx5 n PHE 90 N -4.76 0.00 -0.09 1.25 3.72 -1.26 -3.75 117.46 112.57 2wx5 n PHE 90 Ca 0.21 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.50 2wx5 n PHE 90 Cb 0.48 -0.22 -0.15 0.00 -0.94 0.00 0.00 39.48 38.65 2wx5 n PHE 90 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2wx5 n PHE 91 N -1.06 0.20 -0.70 1.38 3.72 0.13 -1.34 117.46 119.79 2wx5 n PHE 91 Ca 0.14 0.07 -0.32 0.00 -0.05 0.00 0.00 57.45 57.29 2wx5 n PHE 91 Cb 0.28 -1.04 0.16 0.00 -0.94 0.00 0.00 39.48 37.94 2wx5 n PHE 91 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2wx5 n PHE 92 N -2.85 -0.68 -3.64 1.38 3.72 -1.04 -4.83 117.46 109.52 2wx5 n PHE 92 Ca -0.31 0.23 -0.09 0.00 -0.05 0.00 0.00 57.45 57.23 2wx5 n PHE 92 Cb 1.13 -1.82 -0.07 0.00 -0.94 0.00 0.00 39.48 37.78 2wx5 n PHE 92 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2wx5 s SER 93 N -2.24 -0.53 -0.46 4.37 0.15 -1.26 -4.44 113.70 109.29 2wx5 s SER 93 Ca 0.61 0.99 -0.09 0.00 0.70 0.00 0.00 55.95 58.16 2wx5 s SER 93 Cb -0.21 1.04 0.11 0.00 -1.71 0.00 0.00 66.02 65.25 2wx5 s SER 93 CO 0.64 -0.17 0.32 -0.22 1.20 0.00 0.00 173.24 175.01 2wx5 s LEU 94 N 0.46 5.54 0.23 3.45 2.96 0.27 -4.97 118.68 126.63 2wx5 s LEU 94 Ca 0.00 -1.80 -0.11 0.00 -0.22 0.00 0.00 54.13 52.01 2wx5 s LEU 94 Cb -0.05 -2.00 -0.07 0.00 0.50 0.00 0.00 46.19 44.56 2wx5 s LEU 94 CO -0.07 -0.65 0.57 -1.61 -1.32 0.00 0.00 176.35 173.27 2wx5 s GLU 95 N 1.38 3.84 0.73 1.98 0.41 -1.26 -1.99 118.70 123.79 2wx5 s GLU 95 Ca 0.05 0.33 -0.11 0.00 -0.41 0.00 0.00 54.97 54.83 2wx5 s GLU 95 Cb -0.25 -2.64 0.03 0.00 -1.78 0.00 0.00 34.13 29.49 2wx5 s GLU 95 CO 0.00 0.31 1.08 -1.25 -0.49 0.00 0.00 175.26 174.91 2wx5 s PRO 96 N -2.78 2.62 0.34 0.39 0.04 -1.26 -4.23 135.00 130.12 2wx5 s PRO 96 Ca 0.48 0.70 -0.26 0.00 0.04 0.00 0.00 61.00 61.95 2wx5 s PRO 96 Cb -0.11 -1.97 -0.13 0.00 0.04 0.00 0.00 34.50 32.32 2wx5 s PRO 96 CO 0.21 -1.25 0.92 -0.35 0.04 0.00 0.00 177.00 176.57 2wx5 n PRO 97 N -3.20 1.19 -0.65 0.56 -0.04 -1.25 -4.75 135.00 126.87 2wx5 n PRO 97 Ca 0.07 0.42 -0.31 0.00 -0.04 0.00 0.00 63.50 63.64 2wx5 n PRO 97 Cb 0.55 -1.81 0.18 0.00 -0.04 0.00 0.00 33.50 32.38 2wx5 n PRO 97 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wx5 n ALA 98 N -0.13 -1.28 -0.27 0.55 0.00 -1.26 -3.30 120.51 114.82 2wx5 n ALA 98 Ca 0.10 -0.66 0.14 0.00 0.00 0.00 0.00 53.44 53.02 2wx5 n ALA 98 Cb 0.35 -2.14 0.41 0.00 0.00 0.00 0.00 19.45 18.07 2wx5 n ALA 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2wx5 h PRO 99 N -2.01 0.60 -0.60 0.00 0.11 -1.94 -2.64 132.00 125.53 2wx5 h PRO 99 Ca -0.46 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.71 2wx5 h PRO 99 Cb 1.28 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 2wx5 h PRO 99 CO 0.42 0.39 0.40 1.05 -0.21 0.00 0.00 178.00 180.05 2wx5 h GLU 100 N 0.61 0.42 0.00 1.05 4.11 -1.99 0.12 114.58 118.90 2wx5 h GLU 100 Ca 0.48 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.88 2wx5 h GLU 100 Cb 0.89 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2wx5 h GLU 100 CO -0.22 0.28 0.00 0.66 0.07 0.00 0.00 179.01 179.79 2wx5 n TYR 101 N -4.47 0.00 0.00 2.06 4.01 -0.99 -4.96 117.16 112.81 2wx5 n TYR 101 Ca 0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 2wx5 n TYR 101 Cb 0.36 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 2wx5 n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wx5 n GLY 102 N 0.63 3.36 1.68 2.72 0.00 0.40 -1.76 105.19 112.23 2wx5 n GLY 102 Ca 0.14 -0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.21 2wx5 n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wx5 n LEU 103 N 0.00 5.10 -4.94 0.99 4.77 -1.19 -1.42 117.00 120.31 2wx5 n LEU 103 Ca 0.00 -2.62 -0.24 0.00 -0.03 0.00 0.00 56.01 53.12 2wx5 n LEU 103 Cb 0.00 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2wx5 n LEU 103 CO 0.00 0.75 0.27 -0.94 -1.33 0.00 0.00 177.39 176.14 2wx5 s SER 104 N -0.90 6.05 -0.08 -1.43 1.04 -0.72 -4.96 113.70 112.71 2wx5 s SER 104 Ca 0.52 0.44 0.18 0.00 0.48 0.00 0.00 55.95 57.58 2wx5 s SER 104 Cb 0.36 -1.82 0.65 0.00 0.10 0.00 0.00 66.02 65.32 2wx5 s SER 104 CO 0.22 -0.55 1.55 0.49 0.98 0.00 0.00 173.24 175.93 2wx5 n PHE 105 N -2.01 1.27 -0.03 5.02 3.72 -1.26 -4.53 117.46 119.65 2wx5 n PHE 105 Ca -0.01 -0.53 -0.15 0.00 -0.05 0.00 0.00 57.45 56.71 2wx5 n PHE 105 Cb 0.57 -0.18 -0.10 0.00 -0.94 0.00 0.00 39.48 38.83 2wx5 n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wx5 h ALA 106 N 4.09 0.09 0.00 4.37 0.00 -1.95 -3.47 119.26 122.39 2wx5 h ALA 106 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wx5 h ALA 106 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2wx5 h ALA 106 CO 0.17 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2wx5 n ALA 107 N -2.52 -0.17 -1.52 0.00 0.00 -1.26 -4.75 120.51 110.29 2wx5 n ALA 107 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 2wx5 n ALA 107 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2wx5 n ALA 107 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wx5 n PRO 108 N 0.00 0.88 -0.35 0.00 -0.02 -1.26 -3.83 135.00 130.42 2wx5 n PRO 108 Ca 0.00 0.31 0.33 0.00 -2.02 0.00 0.00 63.50 62.13 2wx5 n PRO 108 Cb 0.00 -1.67 0.60 0.00 -0.02 0.00 0.00 33.50 32.41 2wx5 n PRO 108 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wx5 n LEU 109 N 1.12 0.32 0.14 2.45 7.94 -1.26 -1.11 117.00 126.59 2wx5 n LEU 109 Ca 0.11 1.59 0.11 0.00 -1.11 0.00 0.00 56.01 56.71 2wx5 n LEU 109 Cb 0.37 -0.78 0.05 0.00 0.53 0.00 0.00 43.42 43.59 2wx5 n LEU 109 CO 0.56 -1.77 0.28 0.50 -1.11 0.00 0.00 177.39 175.85 2wx5 h LYS 110 N 0.00 0.00 -0.90 1.96 3.64 -1.96 -1.40 116.57 117.91 2wx5 h LYS 110 Ca 0.85 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 59.60 2wx5 h LYS 110 Cb 2.34 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 33.81 2wx5 h LYS 110 CO -0.70 0.04 0.14 0.39 -2.27 0.00 0.00 179.45 177.05 2wx5 n GLU 111 N -2.85 3.09 0.00 1.90 1.02 -0.27 -4.87 120.64 118.67 2wx5 n GLU 111 Ca 0.01 -3.68 0.00 0.00 -0.02 0.00 0.00 57.16 53.47 2wx5 n GLU 111 Cb 0.57 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 2wx5 n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wx5 n GLY 112 N -0.82 1.50 0.34 0.62 0.00 -1.18 -3.92 105.19 101.73 2wx5 n GLY 112 Ca 0.55 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.70 2wx5 n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wx5 h GLY 113 N 0.00 1.74 1.22 -0.02 0.00 -1.38 0.13 103.07 104.77 2wx5 h GLY 113 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 2wx5 h GLY 113 CO 0.00 -0.12 0.17 -2.00 0.00 0.00 0.00 176.54 174.59 2wx5 h LEU 114 N 0.67 0.91 -0.98 3.11 5.85 -1.49 -2.64 115.31 120.74 2wx5 h LEU 114 Ca 0.58 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 59.17 2wx5 h LEU 114 Cb 0.95 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 2wx5 h LEU 114 CO -0.41 0.87 0.64 -0.25 -0.34 0.00 0.00 178.44 178.94 2wx5 h TRP 115 N 0.93 1.19 -0.07 1.25 7.01 -0.99 -1.75 115.95 123.52 2wx5 h TRP 115 Ca 0.20 0.03 -0.16 0.00 2.11 0.00 0.00 58.89 61.07 2wx5 h TRP 115 Cb 0.30 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 2wx5 h TRP 115 CO 0.02 0.68 -0.65 -0.07 -2.79 0.00 0.00 178.44 175.64 2wx5 h LEU 116 N 1.23 0.34 0.44 0.65 3.38 -1.30 -0.01 115.31 120.04 2wx5 h LEU 116 Ca 0.39 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2wx5 h LEU 116 Cb 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2wx5 h LEU 116 CO -0.13 0.89 -0.21 0.40 0.09 0.00 0.00 178.44 179.49 2wx5 h ILE 117 N 0.21 0.51 -0.81 1.22 2.04 -1.05 0.52 117.51 120.14 2wx5 h ILE 117 Ca -0.01 -0.39 0.19 0.00 1.00 0.00 0.00 64.86 65.64 2wx5 h ILE 117 Cb 1.18 0.67 -0.12 0.00 -0.74 0.00 0.00 36.82 37.82 2wx5 h ILE 117 CO 0.10 0.06 0.28 0.00 0.00 0.00 0.00 178.15 178.59 2wx5 h ALA 118 N -0.42 1.17 -0.54 1.87 0.00 -1.31 -0.75 119.26 119.27 2wx5 h ALA 118 Ca -0.06 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2wx5 h ALA 118 Cb 0.56 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2wx5 h ALA 118 CO 0.10 -0.33 -0.06 0.77 0.00 0.00 0.00 179.25 179.73 2wx5 h SER 119 N 0.34 0.99 -0.21 0.00 0.02 -0.51 -1.76 113.55 112.43 2wx5 h SER 119 Ca 0.48 -0.33 0.04 0.00 -0.84 0.00 0.00 61.79 61.13 2wx5 h SER 119 Cb 0.86 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2wx5 h SER 119 CO -0.52 1.09 -0.01 0.15 -1.14 0.00 0.00 176.83 176.40 2wx5 h PHE 120 N 0.87 -0.03 0.00 3.45 3.57 0.14 -0.54 116.94 124.41 2wx5 h PHE 120 Ca 0.15 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2wx5 h PHE 120 Cb 0.62 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 2wx5 h PHE 120 CO 0.04 -0.04 -0.13 0.74 -2.23 0.00 0.00 178.31 176.69 2wx5 h PHE 121 N 0.06 0.00 -0.07 0.41 0.04 -1.11 -2.24 116.94 114.02 2wx5 h PHE 121 Ca 0.10 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.64 2wx5 h PHE 121 Cb 0.13 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.29 2wx5 h PHE 121 CO -0.19 0.13 -0.86 1.98 -0.60 0.00 0.00 178.31 178.77 2wx5 h MET 122 N 0.00 0.62 0.00 1.51 4.05 -0.25 -1.60 114.93 119.27 2wx5 h MET 122 Ca -0.00 -0.57 0.00 0.00 -0.28 0.00 0.00 59.70 58.85 2wx5 h MET 122 Cb 0.30 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 2wx5 h MET 122 CO 0.02 1.19 0.00 0.34 0.23 0.00 0.00 176.91 178.68 2wx5 n PHE 123 N -3.86 0.00 -0.01 1.39 -0.00 -0.35 -1.36 117.46 113.27 2wx5 n PHE 123 Ca -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.38 2wx5 n PHE 123 Cb 0.79 -0.20 0.00 0.00 -0.00 0.00 0.00 39.48 40.06 2wx5 n PHE 123 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2wx5 n VAL 124 N -1.11 -0.01 0.01 -2.13 0.31 -1.04 -0.47 118.33 113.89 2wx5 n VAL 124 Ca 0.00 0.04 -0.01 0.00 -0.01 0.00 0.00 64.34 64.35 2wx5 n VAL 124 Cb 0.00 -0.05 0.26 0.00 -0.91 0.00 0.00 33.84 33.15 2wx5 n VAL 124 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wx5 h ALA 125 N 0.02 1.28 0.06 3.52 0.00 -0.95 -2.47 119.26 120.71 2wx5 h ALA 125 Ca 0.01 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 2wx5 h ALA 125 Cb 0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2wx5 h ALA 125 CO -0.02 0.48 -0.70 0.28 0.00 0.00 0.00 179.25 179.29 2wx5 h VAL 126 N 0.47 1.42 -0.43 0.00 2.07 0.51 -3.04 116.25 117.25 2wx5 h VAL 126 Ca 0.09 -2.38 -0.10 0.00 0.82 0.00 0.00 66.70 65.13 2wx5 h VAL 126 Cb 0.45 3.01 -0.02 0.00 -1.52 0.00 0.00 31.29 33.22 2wx5 h VAL 126 CO 0.02 0.60 -0.14 -0.50 0.02 0.00 0.00 177.57 177.58 2wx5 h TRP 127 N -0.70 0.89 -0.08 1.57 4.06 -1.40 -0.32 115.95 119.97 2wx5 h TRP 127 Ca -0.16 -0.17 -0.16 0.00 2.06 0.00 0.00 58.89 60.46 2wx5 h TRP 127 Cb 1.36 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 29.29 2wx5 h TRP 127 CO 0.20 0.89 -0.64 0.66 -3.56 0.00 0.00 178.44 175.98 2wx5 h SER 128 N 0.72 0.34 0.14 -3.49 4.64 -1.58 0.38 113.55 114.70 2wx5 h SER 128 Ca 0.12 -0.21 -0.06 0.00 -0.47 0.00 0.00 61.79 61.17 2wx5 h SER 128 Cb 0.63 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2wx5 h SER 128 CO 0.04 0.90 -0.20 -0.25 -0.87 0.00 0.00 176.83 176.45 2wx5 h TRP 129 N 0.22 0.15 -0.11 4.77 2.91 -1.35 -1.17 115.95 121.36 2wx5 h TRP 129 Ca -0.01 -0.02 -0.18 0.00 1.13 0.00 0.00 58.89 59.81 2wx5 h TRP 129 Cb 1.18 -0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 29.78 2wx5 h TRP 129 CO 0.03 0.34 -0.69 2.35 -1.03 0.00 0.00 178.44 179.44 2wx5 h TRP 130 N 0.13 0.63 -0.37 2.65 7.01 0.53 -2.13 115.95 124.40 2wx5 h TRP 130 Ca 0.02 -0.26 -0.06 0.00 2.11 0.00 0.00 58.89 60.70 2wx5 h TRP 130 Cb 0.44 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 2wx5 h TRP 130 CO 0.00 1.02 -0.01 0.78 -2.79 0.00 0.00 178.44 177.45 2wx5 h GLY 131 N 1.16 0.63 0.88 2.65 0.00 -0.43 -3.01 103.07 104.96 2wx5 h GLY 131 Ca -0.02 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 2wx5 h GLY 131 CO 0.12 0.36 -0.10 -0.09 0.00 0.00 0.00 176.54 176.84 2wx5 h ARG 132 N 0.56 -0.26 -0.31 4.80 2.43 -0.92 -0.47 114.38 120.21 2wx5 h ARG 132 Ca 0.12 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.39 2wx5 h ARG 132 Cb 0.37 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 2wx5 h ARG 132 CO 0.01 -0.08 0.22 1.79 -1.51 0.00 0.00 179.97 180.40 2wx5 h THR 133 N -0.39 0.85 0.21 0.20 1.35 -1.27 -0.25 112.91 113.60 2wx5 h THR 133 Ca -0.03 -0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.82 2wx5 h THR 133 Cb 0.30 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 2wx5 h THR 133 CO 0.05 0.00 -0.10 0.22 -0.25 0.00 0.00 175.52 175.44 2wx5 h TYR 134 N 0.01 -0.26 -0.57 4.73 5.03 -1.33 -3.25 116.97 121.34 2wx5 h TYR 134 Ca 0.15 -0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.56 2wx5 h TYR 134 Cb 0.57 0.08 -0.11 0.00 1.55 0.00 0.00 36.73 38.82 2wx5 h TYR 134 CO -0.00 -0.14 -0.22 -0.07 -1.32 0.00 0.00 178.16 176.41 2wx5 h LEU 135 N -1.07 -0.78 -2.31 2.82 3.38 -0.45 -0.03 115.31 116.87 2wx5 h LEU 135 Ca -0.03 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2wx5 h LEU 135 Cb 0.23 0.44 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2wx5 h LEU 135 CO 0.05 -0.25 -0.04 0.03 0.09 0.00 0.00 178.44 178.32 2wx5 h ARG 136 N -0.08 0.00 -0.07 1.13 2.47 -1.23 0.08 114.38 116.68 2wx5 h ARG 136 Ca 0.26 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.80 2wx5 h ARG 136 Cb 0.49 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2wx5 h ARG 136 CO -0.63 0.04 -0.75 0.00 0.56 0.00 0.00 179.97 179.19 2wx5 h ALA 137 N 1.96 0.58 0.08 0.04 0.00 -1.08 -3.25 119.26 117.59 2wx5 h ALA 137 Ca -0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 2wx5 h ALA 137 Cb 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wx5 h ALA 137 CO 0.00 0.77 -0.04 0.37 0.00 0.00 0.00 179.25 180.36 2wx5 h GLN 138 N 0.26 -0.10 -1.04 0.00 4.15 0.03 -1.44 115.11 116.97 2wx5 h GLN 138 Ca -0.03 0.01 0.27 0.00 0.77 0.00 0.00 58.65 59.67 2wx5 h GLN 138 Cb 1.33 0.02 -0.12 0.00 0.21 0.00 0.00 27.48 28.93 2wx5 h GLN 138 CO 0.13 0.30 0.63 0.00 -1.93 0.00 0.00 178.83 177.97 2wx5 h ALA 139 N 0.33 2.03 -0.01 3.38 0.00 -1.16 -0.32 119.26 123.49 2wx5 h ALA 139 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wx5 h ALA 139 Cb 0.45 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wx5 h ALA 139 CO 0.02 -0.50 -0.13 1.28 0.00 0.00 0.00 179.25 179.91 2wx5 n LEU 140 N -4.80 1.57 0.00 0.00 4.77 -1.10 -2.05 117.00 115.39 2wx5 n LEU 140 Ca 0.28 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 2wx5 n LEU 140 Cb 0.86 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 2wx5 n LEU 140 CO 0.19 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2wx5 n GLY 141 N 1.28 0.80 3.84 -0.72 0.00 -0.13 -4.94 105.19 105.32 2wx5 n GLY 141 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2wx5 n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wx5 s MET 142 N -0.06 2.96 1.05 1.61 1.00 -0.60 -5.01 119.30 120.25 2wx5 s MET 142 Ca 0.00 0.77 -0.12 0.00 0.00 0.00 0.00 55.69 56.33 2wx5 s MET 142 Cb 0.00 -2.01 0.22 0.00 0.00 0.00 0.00 34.83 33.04 2wx5 s MET 142 CO 0.00 -1.04 1.07 0.20 0.00 0.00 0.00 175.02 175.26 2wx5 s GLY 143 N -4.01 1.56 -0.21 -0.03 0.00 -1.26 -4.53 107.32 98.85 2wx5 s GLY 143 Ca 0.58 -0.24 0.12 0.00 0.00 0.00 0.00 44.72 45.18 2wx5 s GLY 143 CO 0.54 0.40 1.59 0.28 0.00 0.00 0.00 173.10 175.91 2wx5 n LYS 144 N -4.42 4.30 -0.16 2.90 4.76 -1.26 -4.66 118.16 119.62 2wx5 n LYS 144 Ca 0.05 -2.73 -0.04 0.00 -2.87 0.00 0.00 58.31 52.71 2wx5 n LYS 144 Cb 0.56 -2.16 0.05 0.00 -1.84 0.00 0.00 35.03 31.63 2wx5 n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2wx5 h HIS 145 N 3.36 0.43 -0.44 2.13 3.86 -1.97 -1.58 115.15 120.94 2wx5 h HIS 145 Ca 0.02 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2wx5 h HIS 145 Cb 1.83 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 30.15 2wx5 h HIS 145 CO 0.97 0.20 0.28 1.15 0.86 0.00 0.00 177.93 181.40 2wx5 h THR 146 N 0.46 1.10 -0.34 2.45 2.02 -1.93 0.18 112.91 116.87 2wx5 h THR 146 Ca 0.22 -0.20 -0.11 0.00 0.77 0.00 0.00 66.41 67.09 2wx5 h THR 146 Cb 0.15 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2wx5 h THR 146 CO -0.17 0.11 -0.25 0.00 0.37 0.00 0.00 175.52 175.58 2wx5 h ALA 147 N 1.17 0.94 -0.17 6.16 0.00 -1.63 -1.03 119.26 124.70 2wx5 h ALA 147 Ca 0.16 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 2wx5 h ALA 147 Cb -0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2wx5 h ALA 147 CO -0.04 0.61 -0.61 -1.49 0.00 0.00 0.00 179.25 177.71 2wx5 h TRP 148 N 0.58 0.73 -0.58 0.00 -0.00 -1.04 -1.99 115.95 113.65 2wx5 h TRP 148 Ca 0.08 -0.28 -0.06 0.00 -0.00 0.00 0.00 58.89 58.63 2wx5 h TRP 148 Cb 0.73 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.74 2wx5 h TRP 148 CO 0.03 1.03 0.14 0.00 -0.00 0.00 0.00 178.44 179.64 2wx5 h ALA 149 N 0.90 0.76 -0.02 1.49 0.00 -0.38 -2.87 119.26 119.14 2wx5 h ALA 149 Ca -0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2wx5 h ALA 149 Cb 1.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2wx5 h ALA 149 CO 0.12 0.47 -0.49 0.35 0.00 0.00 0.00 179.25 179.69 2wx5 h PHE 150 N 0.83 0.05 -0.79 0.00 3.57 -1.15 -1.99 116.94 117.47 2wx5 h PHE 150 Ca 0.18 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.76 2wx5 h PHE 150 Cb 0.35 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 2wx5 h PHE 150 CO 0.03 0.53 0.52 1.25 -2.23 0.00 0.00 178.31 178.40 2wx5 h LEU 151 N 0.04 0.65 -0.92 0.59 5.85 -1.12 -1.45 115.31 118.94 2wx5 h LEU 151 Ca -0.00 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 2wx5 h LEU 151 Cb 0.88 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2wx5 h LEU 151 CO 0.07 0.39 0.13 -1.28 -0.34 0.00 0.00 178.44 177.41 2wx5 h SER 152 N 0.72 0.87 -0.74 1.25 0.87 -1.36 0.13 113.55 115.29 2wx5 h SER 152 Ca 0.36 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 2wx5 h SER 152 Cb 0.45 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 2wx5 h SER 152 CO -0.14 0.85 0.35 0.00 -0.53 0.00 0.00 176.83 177.36 2wx5 h ALA 153 N 1.26 0.96 -0.42 6.23 0.00 -1.49 -3.22 119.26 122.58 2wx5 h ALA 153 Ca 0.19 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2wx5 h ALA 153 Cb 0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wx5 h ALA 153 CO 0.00 0.53 -0.18 0.82 0.00 0.00 0.00 179.25 180.42 2wx5 h ILE 154 N 1.05 1.27 0.00 0.00 2.04 -0.23 -3.01 117.51 118.63 2wx5 h ILE 154 Ca 0.25 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.83 2wx5 h ILE 154 Cb 0.14 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2wx5 h ILE 154 CO -0.03 0.44 0.00 1.87 0.00 0.00 0.00 178.15 180.43 2wx5 n TRP 155 N -4.13 0.00 -0.35 1.37 -0.00 0.36 0.19 117.44 114.89 2wx5 n TRP 155 Ca 0.01 0.00 0.30 0.00 -0.00 0.00 0.00 57.50 57.80 2wx5 n TRP 155 Cb 0.41 -0.47 0.56 0.00 -0.00 0.00 0.00 31.31 31.81 2wx5 n TRP 155 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 2wx5 h LEU 156 N 0.00 0.39 0.19 5.87 5.85 -1.58 0.12 115.31 126.15 2wx5 h LEU 156 Ca 0.00 0.21 -0.26 0.00 0.84 0.00 0.00 57.88 58.67 2wx5 h LEU 156 Cb 0.00 0.19 0.03 0.00 0.37 0.00 0.00 40.66 41.25 2wx5 h LEU 156 CO 0.00 -0.27 -1.15 -0.25 -0.34 0.00 0.00 178.44 176.43 2wx5 h TRP 157 N 0.15 0.74 -0.67 1.25 7.01 -1.27 -1.60 115.95 121.56 2wx5 h TRP 157 Ca 0.80 -0.54 0.06 0.00 2.11 0.00 0.00 58.89 61.31 2wx5 h TRP 157 Cb 2.08 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 29.06 2wx5 h TRP 157 CO -0.01 1.44 0.38 0.52 -2.79 0.00 0.00 178.44 177.98 2wx5 h MET 158 N -0.13 0.68 -0.20 2.65 2.86 0.90 -1.34 114.93 120.35 2wx5 h MET 158 Ca -0.20 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2wx5 h MET 158 Cb 1.89 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 33.39 2wx5 h MET 158 CO 0.21 0.45 0.12 0.28 1.06 0.00 0.00 176.91 179.03 2wx5 h VAL 159 N 0.70 1.04 -0.35 -2.22 2.07 -0.96 0.22 116.25 116.75 2wx5 h VAL 159 Ca 0.30 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 2wx5 h VAL 159 Cb 0.17 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2wx5 h VAL 159 CO -0.17 0.05 0.10 -0.07 0.02 0.00 0.00 177.57 177.49 2wx5 h LEU 160 N 0.26 0.51 0.00 2.57 3.38 -0.91 -1.67 115.31 119.45 2wx5 h LEU 160 Ca 0.08 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2wx5 h LEU 160 Cb -0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2wx5 h LEU 160 CO -0.03 0.59 -1.82 0.61 0.09 0.00 0.00 178.44 177.88 2wx5 n GLY 161 N -0.61 -1.10 1.53 0.83 0.00 -0.54 -4.26 105.19 101.03 2wx5 n GLY 161 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2wx5 n GLY 161 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wx5 n PHE 162 N -2.49 -1.07 0.17 1.61 7.35 0.29 -4.74 117.46 118.59 2wx5 n PHE 162 Ca -0.09 0.19 -0.12 0.00 -0.76 0.00 0.00 57.45 56.67 2wx5 n PHE 162 Cb 0.69 0.29 -0.07 0.00 0.35 0.00 0.00 39.48 40.75 2wx5 n PHE 162 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2wx5 h ILE 163 N 0.00 0.47 0.10 -2.13 2.04 -0.78 -2.00 117.51 115.20 2wx5 h ILE 163 Ca 0.00 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 2wx5 h ILE 163 Cb 0.10 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2wx5 h ILE 163 CO 0.00 0.10 -0.05 -0.09 0.00 0.00 0.00 178.15 178.11 2wx5 h ARG 164 N -0.95 -0.12 -0.98 2.37 2.43 -1.52 -0.55 114.38 115.06 2wx5 h ARG 164 Ca -0.05 0.01 0.25 0.00 -0.81 0.00 0.00 59.98 59.38 2wx5 h ARG 164 Cb 0.53 0.03 -0.13 0.00 -0.42 0.00 0.00 29.97 29.98 2wx5 h ARG 164 CO 0.08 -0.07 0.55 -1.35 -1.51 0.00 0.00 179.97 177.67 2wx5 h PRO 165 N -0.14 0.50 -0.41 0.20 0.11 -1.74 -0.69 132.00 129.83 2wx5 h PRO 165 Ca -0.01 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 65.91 2wx5 h PRO 165 Cb 0.11 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2wx5 h PRO 165 CO 0.02 0.33 -0.35 0.82 -0.21 0.00 0.00 178.00 178.62 2wx5 h ILE 166 N 0.51 1.27 0.00 4.15 2.04 -0.47 -2.82 117.51 122.19 2wx5 h ILE 166 Ca 0.64 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2wx5 h ILE 166 Cb 1.25 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2wx5 h ILE 166 CO -0.50 0.51 0.00 -0.07 0.00 0.00 0.00 178.15 178.09 2wx5 h LEU 167 N 0.79 0.00 -1.72 1.44 3.38 -0.37 -3.00 115.31 115.83 2wx5 h LEU 167 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wx5 h LEU 167 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2wx5 h LEU 167 CO 0.09 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.85 2wx5 n MET 168 N -2.61 2.15 -0.95 1.13 2.81 -0.34 -4.98 117.12 114.33 2wx5 n MET 168 Ca 0.02 -1.71 0.00 0.00 -1.81 0.00 0.00 57.70 54.20 2wx5 n MET 168 Cb 0.31 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 2wx5 n MET 168 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wx5 n GLY 169 N 1.33 0.43 3.31 3.03 0.00 -1.13 -5.02 105.19 107.13 2wx5 n GLY 169 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 2wx5 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wx5 s SER 170 N -2.20 -0.33 0.00 1.61 1.04 -1.08 -3.15 113.70 109.60 2wx5 s SER 170 Ca 0.00 0.36 0.19 0.00 0.48 0.00 0.00 55.95 56.97 2wx5 s SER 170 Cb 0.00 0.46 0.88 0.00 0.10 0.00 0.00 66.02 67.46 2wx5 s SER 170 CO 0.00 -0.42 1.60 0.79 0.98 0.00 0.00 173.24 176.19 2wx5 n TRP 171 N 1.51 0.00 0.84 5.02 7.02 -0.50 -3.48 117.44 127.84 2wx5 n TRP 171 Ca -0.19 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.40 2wx5 n TRP 171 Cb 0.56 -0.40 0.52 0.00 -2.42 0.00 0.00 31.31 29.57 2wx5 n TRP 171 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2wx5 n SER 172 N -1.40 0.00 0.22 -0.99 3.41 -1.21 -2.63 113.62 111.03 2wx5 n SER 172 Ca 0.07 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 2wx5 n SER 172 Cb 0.19 -0.49 0.25 0.00 -0.26 0.00 0.00 64.21 63.90 2wx5 n SER 172 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2wx5 h GLU 173 N 0.00 0.00 -7.37 4.33 4.39 -1.88 -3.47 114.58 110.58 2wx5 h GLU 173 Ca 0.00 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.24 2wx5 h GLU 173 Cb 0.41 0.00 0.15 0.00 -0.10 0.00 0.00 28.75 29.21 2wx5 h GLU 173 CO 0.00 0.05 0.22 0.00 -1.16 0.00 0.00 179.01 178.11 2wx5 s ALA 174 N -3.28 1.15 0.05 3.43 0.00 -1.08 -4.91 121.76 117.12 2wx5 s ALA 174 Ca 0.06 -0.34 -0.18 0.00 0.00 0.00 0.00 51.96 51.49 2wx5 s ALA 174 Cb 0.06 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 20.00 2wx5 s ALA 174 CO 0.65 -2.69 0.53 0.08 0.00 0.00 0.00 175.76 174.33 2wx5 s VAL 175 N -3.01 4.83 0.41 0.00 1.01 -1.26 -4.85 120.40 117.53 2wx5 s VAL 175 Ca 0.65 1.12 -0.22 0.00 0.00 0.00 0.00 61.98 63.52 2wx5 s VAL 175 Cb -0.18 -3.85 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 2wx5 s VAL 175 CO 0.57 0.55 0.95 -2.16 0.00 0.00 0.00 175.10 175.01 2wx5 s PRO 176 N -1.03 4.27 -0.60 2.72 0.04 -1.26 -4.84 135.00 134.30 2wx5 s PRO 176 Ca 0.28 1.16 -0.23 0.00 0.04 0.00 0.00 61.00 62.25 2wx5 s PRO 176 Cb -0.19 -2.28 0.05 0.00 0.04 0.00 0.00 34.50 32.13 2wx5 s PRO 176 CO 0.17 0.01 0.95 0.71 0.04 0.00 0.00 177.00 178.88 2wx5 s TYR 177 N -2.08 2.74 -0.22 0.56 2.02 -0.84 -4.47 117.35 115.06 2wx5 s TYR 177 Ca 0.60 -0.25 -0.30 0.00 -0.37 0.00 0.00 57.07 56.76 2wx5 s TYR 177 Cb -0.11 -4.15 0.16 0.00 -0.40 0.00 0.00 41.96 37.46 2wx5 s TYR 177 CO 0.15 -1.48 1.18 0.20 -1.57 0.00 0.00 175.55 174.03 2wx5 s GLY 178 N 3.19 -0.09 0.00 0.71 0.00 -1.26 -0.56 107.32 109.31 2wx5 s GLY 178 Ca 0.27 2.44 -0.00 0.00 0.00 0.00 0.00 44.72 47.43 2wx5 s GLY 178 CO 0.15 1.08 0.99 -2.22 0.00 0.00 0.00 173.10 173.10 2wx5 h ILE 179 N 2.31 0.00 -0.41 0.90 1.08 -1.78 -2.51 117.51 117.10 2wx5 h ILE 179 Ca -0.13 -0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.25 2wx5 h ILE 179 Cb 1.17 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 2wx5 h ILE 179 CO 0.26 0.00 -0.09 -0.26 -0.69 0.00 0.00 178.15 177.37 2wx5 h PHE 180 N -0.01 0.78 0.00 1.37 0.04 -1.52 -3.16 116.94 114.44 2wx5 h PHE 180 Ca -0.00 -0.13 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 2wx5 h PHE 180 Cb 0.01 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 2wx5 h PHE 180 CO 0.23 0.78 -0.25 0.66 -0.60 0.00 0.00 178.31 179.13 2wx5 h SER 181 N 0.66 0.00 0.88 2.17 4.64 -1.75 -0.34 113.55 119.82 2wx5 h SER 181 Ca 0.12 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.21 2wx5 h SER 181 Cb 0.54 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 2wx5 h SER 181 CO 0.03 0.25 -1.09 1.12 -0.87 0.00 0.00 176.83 176.27 2wx5 h HIS 182 N 0.00 0.14 -0.66 4.77 2.07 -1.41 -1.18 115.15 118.88 2wx5 h HIS 182 Ca -0.00 -0.11 0.03 0.00 -2.85 0.00 0.00 60.37 57.44 2wx5 h HIS 182 Cb 0.52 -0.01 -0.04 0.00 2.57 0.00 0.00 27.41 30.45 2wx5 h HIS 182 CO 0.00 1.08 0.41 -0.07 -3.07 0.00 0.00 177.93 176.28 2wx5 h LEU 183 N 0.02 0.67 -0.35 6.12 3.38 -1.28 -2.28 115.31 121.60 2wx5 h LEU 183 Ca -0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2wx5 h LEU 183 Cb 1.84 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 2wx5 h LEU 183 CO 0.15 0.47 0.10 0.44 0.09 0.00 0.00 178.44 179.69 2wx5 h ASP 184 N 0.80 0.51 -1.00 -0.43 3.32 -0.97 -2.69 116.42 115.96 2wx5 h ASP 184 Ca 0.26 -0.21 0.17 0.00 0.02 0.00 0.00 57.03 57.27 2wx5 h ASP 184 Cb 0.02 -0.13 -0.10 0.00 0.22 0.00 0.00 39.33 39.34 2wx5 h ASP 184 CO -0.10 0.58 0.62 -0.25 -1.72 0.00 0.00 179.24 178.37 2wx5 h TRP 185 N 0.41 1.09 0.01 4.55 7.01 -1.12 0.28 115.95 128.18 2wx5 h TRP 185 Ca 0.11 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 2wx5 h TRP 185 Cb 0.26 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 26.98 2wx5 h TRP 185 CO 0.01 0.31 -0.01 1.15 -2.79 0.00 0.00 178.44 177.12 2wx5 h THR 186 N 0.84 1.23 -0.38 2.65 2.02 -1.10 0.11 112.91 118.27 2wx5 h THR 186 Ca 0.55 -0.72 0.04 0.00 0.77 0.00 0.00 66.41 67.05 2wx5 h THR 186 Cb 0.76 1.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.84 2wx5 h THR 186 CO -0.34 0.19 0.16 -1.13 0.37 0.00 0.00 175.52 174.77 2wx5 h ASN 187 N -0.32 0.21 -0.09 4.18 -1.24 -1.26 -2.74 115.58 114.31 2wx5 h ASN 187 Ca -0.00 0.03 0.01 0.00 0.71 0.00 0.00 56.30 57.05 2wx5 h ASN 187 Cb 0.32 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 2wx5 h ASN 187 CO 0.00 0.16 0.02 -1.13 -1.29 0.00 0.00 177.43 175.19 2wx5 h ASN 188 N 0.34 0.00 -0.81 1.15 -1.24 -0.73 -1.51 115.58 112.78 2wx5 h ASN 188 Ca 0.17 0.01 0.13 0.00 0.71 0.00 0.00 56.30 57.33 2wx5 h ASN 188 Cb 0.12 0.02 -0.09 0.00 0.73 0.00 0.00 38.32 39.10 2wx5 h ASN 188 CO -0.15 0.02 0.41 0.15 -1.29 0.00 0.00 177.43 176.57 2wx5 h PHE 189 N 0.06 0.73 0.94 0.67 3.04 -0.70 -0.70 116.94 120.96 2wx5 h PHE 189 Ca 0.04 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.98 2wx5 h PHE 189 Cb 0.03 -0.20 0.01 0.00 2.56 0.00 0.00 35.95 38.35 2wx5 h PHE 189 CO -0.11 0.19 -0.47 1.03 -2.02 0.00 0.00 178.31 176.93 2wx5 h SER 190 N 0.62 -1.13 -0.84 0.41 0.87 -0.99 -2.16 113.55 110.33 2wx5 h SER 190 Ca 0.43 0.04 0.21 0.00 -1.23 0.00 0.00 61.79 61.24 2wx5 h SER 190 Cb 0.58 0.30 -0.13 0.00 -0.44 0.00 0.00 62.40 62.70 2wx5 h SER 190 CO -0.34 -0.78 0.24 -0.07 -0.53 0.00 0.00 176.83 175.34 2wx5 h LEU 191 N -1.29 0.05 -0.24 2.23 3.38 -1.10 0.52 115.31 118.86 2wx5 h LEU 191 Ca -0.13 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wx5 h LEU 191 Cb 0.99 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2wx5 h LEU 191 CO 0.20 -0.09 0.00 0.52 0.09 0.00 0.00 178.44 179.16 2wx5 n VAL 192 N -5.18 0.68 -1.20 1.22 0.31 -0.30 -2.82 118.33 111.05 2wx5 n VAL 192 Ca 0.19 -0.12 0.03 0.00 -0.01 0.00 0.00 64.34 64.43 2wx5 n VAL 192 Cb 0.60 -0.78 0.22 0.00 -0.91 0.00 0.00 33.84 32.98 2wx5 n VAL 192 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2wx5 n HIS 193 N -2.28 0.91 -1.11 3.52 8.25 -0.41 -4.90 115.22 119.20 2wx5 n HIS 193 Ca 0.04 -1.20 -0.04 0.00 -0.26 0.00 0.00 57.72 56.27 2wx5 n HIS 193 Cb 0.37 -0.38 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 2wx5 n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wx5 n GLY 194 N -0.87 0.67 0.44 -1.41 0.00 -1.05 -0.88 105.19 102.09 2wx5 n GLY 194 Ca 0.26 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2wx5 n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wx5 n ASN 195 N 0.99 -1.02 0.27 1.61 2.85 0.04 -3.36 115.26 116.63 2wx5 n ASN 195 Ca -0.04 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.61 2wx5 n ASN 195 Cb 0.14 -0.51 0.80 0.00 1.24 0.00 0.00 39.78 41.45 2wx5 n ASN 195 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2wx5 h LEU 196 N 0.00 0.00 -1.01 1.20 3.38 -1.85 0.14 115.31 117.16 2wx5 h LEU 196 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wx5 h LEU 196 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wx5 h LEU 196 CO 0.00 0.00 0.06 0.49 0.09 0.00 0.00 178.44 179.08 2wx5 n PHE 197 N -2.96 0.52 1.04 1.13 3.72 -1.26 0.65 117.46 120.30 2wx5 n PHE 197 Ca -0.00 0.27 0.11 0.00 -0.05 0.00 0.00 57.45 57.78 2wx5 n PHE 197 Cb 0.23 -0.89 0.10 0.00 -0.94 0.00 0.00 39.48 37.98 2wx5 n PHE 197 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2wx5 n TYR 198 N -2.04 0.00 -2.49 1.38 4.01 0.47 -4.86 117.16 113.63 2wx5 n TYR 198 Ca -0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.30 2wx5 n TYR 198 Cb 0.08 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 2wx5 n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2wx5 s ASN 199 N -2.81 6.61 0.53 7.72 3.84 0.21 -4.74 114.94 126.30 2wx5 s ASN 199 Ca 0.14 0.84 0.30 0.00 0.21 0.00 0.00 52.86 54.35 2wx5 s ASN 199 Cb 0.17 -2.54 1.45 0.00 -0.55 0.00 0.00 41.25 39.78 2wx5 s ASN 199 CO 0.70 -1.20 2.04 1.55 -2.79 0.00 0.00 177.10 177.41 2wx5 h PRO 200 N 9.45 0.00 -0.17 0.43 0.13 -1.89 -1.85 132.00 138.10 2wx5 h PRO 200 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.85 2wx5 h PRO 200 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2wx5 h PRO 200 CO 1.08 0.11 -0.03 0.74 -0.23 0.00 0.00 178.00 179.66 2wx5 h PHE 201 N 0.00 0.36 -0.99 1.56 0.04 -1.92 -2.90 116.94 113.10 2wx5 h PHE 201 Ca -0.00 -0.07 0.23 0.00 2.80 0.00 0.00 57.97 60.92 2wx5 h PHE 201 Cb 0.41 -0.09 -0.12 0.00 2.20 0.00 0.00 35.95 38.35 2wx5 h PHE 201 CO 0.00 0.58 0.57 1.25 -0.60 0.00 0.00 178.31 180.11 2wx5 h HIS 202 N 0.04 0.99 0.00 -0.55 2.76 -1.63 0.18 115.15 116.94 2wx5 h HIS 202 Ca 0.05 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 58.13 2wx5 h HIS 202 Cb 0.45 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 2wx5 h HIS 202 CO 0.05 0.09 -0.57 0.78 -1.30 0.00 0.00 177.93 176.98 2wx5 h GLY 203 N 0.60 0.00 0.50 5.26 0.00 -1.30 -2.27 103.07 105.86 2wx5 h GLY 203 Ca 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.91 2wx5 h GLY 203 CO -0.46 0.00 -0.12 1.41 0.00 0.00 0.00 176.54 177.37 2wx5 h LEU 204 N 0.00 0.16 -0.91 3.11 3.38 -0.91 -2.11 115.31 118.03 2wx5 h LEU 204 Ca -0.01 -0.63 0.14 0.00 0.09 0.00 0.00 57.88 57.47 2wx5 h LEU 204 Cb 1.12 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.68 2wx5 h LEU 204 CO 0.07 0.77 -0.37 -0.24 0.09 0.00 0.00 178.44 178.75 2wx5 n SER 205 N -4.64 -0.63 -0.13 -0.43 2.88 0.49 -0.63 113.62 110.52 2wx5 n SER 205 Ca -0.08 1.60 -0.07 0.00 -1.33 0.00 0.00 58.87 58.99 2wx5 n SER 205 Cb 0.38 -0.35 0.02 0.00 -0.75 0.00 0.00 64.21 63.51 2wx5 n SER 205 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2wx5 h ILE 206 N 0.00 1.03 -0.78 2.46 2.04 -1.28 -0.94 117.51 120.04 2wx5 h ILE 206 Ca 0.30 -0.17 0.11 0.00 1.00 0.00 0.00 64.86 66.10 2wx5 h ILE 206 Cb 0.53 0.50 -0.08 0.00 -0.74 0.00 0.00 36.82 37.04 2wx5 h ILE 206 CO -0.90 0.09 0.41 0.00 0.00 0.00 0.00 178.15 177.74 2wx5 h ALA 207 N 1.19 1.11 -0.15 1.87 0.00 -0.23 0.21 119.26 123.26 2wx5 h ALA 207 Ca 0.17 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 2wx5 h ALA 207 Cb 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2wx5 h ALA 207 CO -0.09 -0.02 -0.59 0.74 0.00 0.00 0.00 179.25 179.29 2wx5 h PHE 208 N 0.66 0.64 -0.07 0.00 0.04 -0.57 0.43 116.94 118.07 2wx5 h PHE 208 Ca 0.39 -0.24 -0.17 0.00 2.80 0.00 0.00 57.97 60.75 2wx5 h PHE 208 Cb 0.44 -0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.49 2wx5 h PHE 208 CO -0.09 0.97 -0.61 1.25 -0.60 0.00 0.00 178.31 179.22 2wx5 h LEU 209 N 0.38 0.66 -0.50 1.54 5.85 -0.25 0.37 115.31 123.36 2wx5 h LEU 209 Ca -0.00 -0.68 -0.06 0.00 0.84 0.00 0.00 57.88 57.97 2wx5 h LEU 209 Cb 1.14 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2wx5 h LEU 209 CO 0.11 1.24 0.07 1.88 -0.34 0.00 0.00 178.44 181.40 2wx5 h TYR 210 N 0.13 0.89 -0.52 1.25 -1.99 -0.66 -2.95 116.97 113.13 2wx5 h TYR 210 Ca -0.06 -0.13 0.09 0.00 2.00 0.00 0.00 58.73 60.64 2wx5 h TYR 210 Cb 1.28 -0.24 -0.08 0.00 2.00 0.00 0.00 36.73 39.69 2wx5 h TYR 210 CO 0.12 0.82 0.07 0.78 -0.00 0.00 0.00 178.16 179.95 2wx5 h GLY 211 N 0.71 0.60 0.51 3.88 0.00 0.48 0.14 103.07 109.39 2wx5 h GLY 211 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.63 2wx5 h GLY 211 CO 0.01 -0.10 0.58 1.76 0.00 0.00 0.00 176.54 178.79 2wx5 h SER 212 N 0.20 0.68 -0.07 0.19 0.02 -0.15 0.70 113.55 115.12 2wx5 h SER 212 Ca 0.26 0.04 -0.22 0.00 -0.84 0.00 0.00 61.79 61.03 2wx5 h SER 212 Cb 0.38 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.84 2wx5 h SER 212 CO -0.37 0.34 -0.82 0.00 -1.14 0.00 0.00 176.83 174.84 2wx5 h ALA 213 N 1.59 0.19 0.16 3.77 0.00 -0.59 -1.68 119.26 122.70 2wx5 h ALA 213 Ca 0.45 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wx5 h ALA 213 Cb 0.71 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2wx5 h ALA 213 CO -0.21 0.60 -0.11 1.25 0.00 0.00 0.00 179.25 180.77 2wx5 h LEU 214 N 0.34 -0.28 0.02 0.00 5.85 -0.85 -2.33 115.31 118.06 2wx5 h LEU 214 Ca -0.08 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2wx5 h LEU 214 Cb 1.48 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.59 2wx5 h LEU 214 CO 0.17 -0.18 -0.03 0.25 -0.34 0.00 0.00 178.44 178.31 2wx5 h LEU 215 N -0.27 -0.08 -1.20 2.25 5.85 -0.87 0.05 115.31 121.04 2wx5 h LEU 215 Ca -0.01 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2wx5 h LEU 215 Cb 0.24 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2wx5 h LEU 215 CO 0.00 -0.05 -0.39 0.15 -0.34 0.00 0.00 178.44 177.81 2wx5 h PHE 216 N -0.06 0.00 -0.26 1.25 3.04 -1.34 0.07 116.94 119.64 2wx5 h PHE 216 Ca 0.00 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.79 2wx5 h PHE 216 Cb 0.06 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.57 2wx5 h PHE 216 CO -0.09 0.39 -0.50 0.00 -2.02 0.00 0.00 178.31 176.09 2wx5 h ALA 217 N 1.61 0.64 -0.55 2.41 0.00 -0.94 0.20 119.26 122.62 2wx5 h ALA 217 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2wx5 h ALA 217 Cb 0.72 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2wx5 h ALA 217 CO 0.05 0.68 0.27 0.52 0.00 0.00 0.00 179.25 180.76 2wx5 h MET 218 N 0.56 0.78 0.00 0.00 2.86 0.25 -1.87 114.93 117.52 2wx5 h MET 218 Ca 0.02 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2wx5 h MET 218 Cb 1.06 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.58 2wx5 h MET 218 CO 0.10 0.64 -0.00 1.25 1.06 0.00 0.00 176.91 179.96 2wx5 h HIS 219 N 0.73 -0.00 -0.94 -0.22 6.17 -0.83 0.25 115.15 120.31 2wx5 h HIS 219 Ca 0.19 -0.00 0.04 0.00 0.71 0.00 0.00 60.37 61.30 2wx5 h HIS 219 Cb 0.11 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 29.99 2wx5 h HIS 219 CO -0.00 0.78 0.61 0.78 0.71 0.00 0.00 177.93 180.81 2wx5 h GLY 220 N -0.78 1.35 1.52 5.26 0.00 -0.62 0.21 103.07 110.01 2wx5 h GLY 220 Ca -0.00 -0.46 -0.27 0.00 0.00 0.00 0.00 47.33 46.59 2wx5 h GLY 220 CO 0.00 0.40 -1.20 0.00 0.00 0.00 0.00 176.54 175.74 2wx5 h ALA 221 N 1.45 0.12 0.99 3.60 0.00 -1.10 -1.38 119.26 122.93 2wx5 h ALA 221 Ca 0.37 -0.82 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2wx5 h ALA 221 Cb 0.02 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2wx5 h ALA 221 CO -0.11 0.86 -0.49 1.15 0.00 0.00 0.00 179.25 180.66 2wx5 h THR 222 N 0.15 0.00 -0.88 0.00 2.02 0.79 0.84 112.91 115.83 2wx5 h THR 222 Ca -0.14 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.26 2wx5 h THR 222 Cb 1.89 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 68.17 2wx5 h THR 222 CO 0.21 0.00 0.36 0.40 0.37 0.00 0.00 175.52 176.85 2wx5 h ILE 223 N -1.34 0.45 -0.14 3.11 1.08 -0.67 0.11 117.51 120.12 2wx5 h ILE 223 Ca -0.13 -0.12 -0.12 0.00 -0.39 0.00 0.00 64.86 64.09 2wx5 h ILE 223 Cb 1.03 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.83 2wx5 h ILE 223 CO 0.21 0.07 -0.45 -0.07 -0.69 0.00 0.00 178.15 177.22 2wx5 h LEU 224 N 0.36 0.37 -1.22 1.44 3.38 -1.09 -2.33 115.31 116.22 2wx5 h LEU 224 Ca 0.55 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.27 2wx5 h LEU 224 Cb 1.05 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2wx5 h LEU 224 CO -0.54 0.77 -0.38 0.00 0.09 0.00 0.00 178.44 178.38 2wx5 h ALA 225 N 1.25 1.29 -0.39 1.53 0.00 0.16 -2.80 119.26 120.30 2wx5 h ALA 225 Ca 0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 2wx5 h ALA 225 Cb 0.90 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2wx5 h ALA 225 CO 0.07 0.47 0.02 1.33 0.00 0.00 0.00 179.25 181.15 2wx5 n VAL 226 N -3.97 2.50 1.28 0.00 0.24 -0.27 -4.52 118.33 113.59 2wx5 n VAL 226 Ca -0.02 -1.80 0.14 0.00 -2.04 0.00 0.00 64.34 60.62 2wx5 n VAL 226 Cb 0.43 -0.28 0.54 0.00 -1.47 0.00 0.00 33.84 33.06 2wx5 n VAL 226 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wx5 n SER 227 N -0.23 0.46 0.00 -1.34 3.41 -0.88 -1.88 113.62 113.15 2wx5 n SER 227 Ca 0.26 -0.41 0.10 0.00 -0.26 0.00 0.00 58.87 58.56 2wx5 n SER 227 Cb 1.03 -0.07 0.53 0.00 -0.26 0.00 0.00 64.21 65.45 2wx5 n SER 227 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2wx5 n ARG 228 N -1.08 0.43 -0.78 4.33 1.85 -1.26 -2.13 116.66 118.02 2wx5 n ARG 228 Ca 0.12 0.06 0.05 0.00 -1.00 0.00 0.00 57.85 57.08 2wx5 n ARG 228 Cb 0.30 -1.50 0.11 0.00 -1.05 0.00 0.00 32.46 30.32 2wx5 n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2wx5 n PHE 229 N -1.15 0.00 -1.15 2.89 3.01 -1.05 -5.00 117.46 115.00 2wx5 n PHE 229 Ca 0.12 -0.92 -0.02 0.00 1.01 0.00 0.00 57.45 57.64 2wx5 n PHE 229 Cb 0.11 -0.18 -0.01 0.00 -0.01 0.00 0.00 39.48 39.40 2wx5 n PHE 229 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wx5 n GLY 230 N -0.53 0.50 0.40 1.37 0.00 -0.91 -4.44 105.19 101.59 2wx5 n GLY 230 Ca 0.12 -0.98 0.21 0.00 0.00 0.00 0.00 46.02 45.36 2wx5 n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wx5 h GLY 231 N 0.00 0.34 1.27 -0.02 0.00 -1.55 -1.97 103.07 101.14 2wx5 h GLY 231 Ca -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2wx5 h GLY 231 CO 0.05 0.01 0.00 -1.84 0.00 0.00 0.00 176.54 174.77 2wx5 n GLU 232 N -4.40 0.51 -2.60 4.80 0.00 -1.26 -3.93 120.64 113.76 2wx5 n GLU 232 Ca 0.15 0.04 -0.43 0.00 0.00 0.00 0.00 57.16 56.92 2wx5 n GLU 232 Cb 0.69 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.64 2wx5 n GLU 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2wx5 n ARG 233 N -1.14 3.90 -0.12 3.44 1.74 -0.74 -4.76 116.66 118.98 2wx5 n ARG 233 Ca 0.14 -3.90 -0.13 0.00 -0.77 0.00 0.00 57.85 53.19 2wx5 n ARG 233 Cb 0.12 -2.78 -0.02 0.00 -1.02 0.00 0.00 32.46 28.76 2wx5 n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2wx5 h GLU 234 N 5.70 0.95 -0.71 5.56 5.08 -1.85 -2.32 114.58 127.00 2wx5 h GLU 234 Ca 0.32 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2wx5 h GLU 234 Cb 0.64 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2wx5 h GLU 234 CO 1.51 1.15 0.32 -0.07 -1.00 0.00 0.00 179.01 180.92 2wx5 h LEU 235 N 0.78 0.94 -1.51 1.33 3.38 -1.93 0.73 115.31 119.03 2wx5 h LEU 235 Ca 0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2wx5 h LEU 235 Cb 0.96 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2wx5 h LEU 235 CO 0.09 0.83 -0.19 -0.08 0.09 0.00 0.00 178.44 179.18 2wx5 h GLU 236 N 0.99 0.00 0.00 1.13 4.57 -1.93 -1.52 114.58 117.82 2wx5 h GLU 236 Ca 0.24 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.29 2wx5 h GLU 236 Cb 0.15 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 2wx5 h GLU 236 CO -0.03 0.19 -0.62 1.96 -1.18 0.00 0.00 179.01 179.32 2wx5 h GLN 237 N 0.00 0.00 0.35 1.92 1.08 -0.65 -1.93 115.11 115.88 2wx5 h GLN 237 Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2wx5 h GLN 237 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2wx5 h GLN 237 CO 0.02 0.62 -0.17 0.82 -0.95 0.00 0.00 178.83 179.18 2wx5 h ILE 238 N 0.00 0.59 0.00 2.54 2.04 -0.45 -2.60 117.51 119.63 2wx5 h ILE 238 Ca -0.01 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 2wx5 h ILE 238 Cb 1.24 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2wx5 h ILE 238 CO 0.08 0.10 -0.01 0.00 0.00 0.00 0.00 178.15 178.32 2wx5 h ALA 239 N -0.38 1.10 -0.52 1.87 0.00 -1.34 -3.39 119.26 116.61 2wx5 h ALA 239 Ca -0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2wx5 h ALA 239 Cb 0.53 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.16 2wx5 h ALA 239 CO 0.08 0.01 -0.28 -3.47 0.00 0.00 0.00 179.25 175.60 2wx5 n ASP 240 N -3.25 -2.30 -4.56 0.00 2.03 -0.73 -5.09 116.55 102.66 2wx5 n ASP 240 Ca -0.02 -1.79 -0.54 0.00 0.52 0.00 0.00 54.79 52.95 2wx5 n ASP 240 Cb 0.12 1.17 -0.07 0.00 -0.72 0.00 0.00 41.12 41.62 2wx5 n ASP 240 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2wx5 n ARG 241 N 2.70 0.79 -3.25 -0.67 0.63 -0.98 -4.46 116.66 111.42 2wx5 n ARG 241 Ca 0.14 0.29 -0.17 0.00 -0.92 0.00 0.00 57.85 57.18 2wx5 n ARG 241 Cb 0.61 -1.89 -0.02 0.00 0.45 0.00 0.00 32.46 31.62 2wx5 n ARG 241 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wx5 n GLY 242 N 2.21 3.45 0.00 5.14 0.00 -1.26 -5.00 105.19 109.73 2wx5 n GLY 242 Ca 0.19 -2.28 0.11 0.00 0.00 0.00 0.00 46.02 44.04 2wx5 n GLY 242 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wx5 n THR 243 N -0.93 0.31 0.08 2.61 5.66 -1.26 -2.27 114.28 118.47 2wx5 n THR 243 Ca -0.08 0.08 -0.08 0.00 -3.05 0.00 0.00 64.05 60.92 2wx5 n THR 243 Cb 0.36 -0.69 -0.05 0.00 -1.55 0.00 0.00 70.33 68.41 2wx5 n THR 243 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wx5 h ALA 244 N 3.01 -0.30 -0.36 1.79 0.00 -1.88 -1.58 119.26 119.94 2wx5 h ALA 244 Ca 0.00 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 54.86 2wx5 h ALA 244 Cb 0.27 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2wx5 h ALA 244 CO 0.00 -0.31 0.26 0.00 0.00 0.00 0.00 179.25 179.20 2wx5 h ALA 245 N -0.80 2.25 -0.05 0.00 0.00 -1.87 -2.22 119.26 116.58 2wx5 h ALA 245 Ca -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2wx5 h ALA 245 Cb 0.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2wx5 h ALA 245 CO 0.05 -0.35 -0.23 0.93 0.00 0.00 0.00 179.25 179.65 2wx5 h GLU 246 N 0.07 0.23 -0.19 0.00 5.08 -1.48 -2.33 114.58 115.96 2wx5 h GLU 246 Ca 0.17 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2wx5 h GLU 246 Cb 0.59 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2wx5 h GLU 246 CO -0.01 0.85 0.01 0.00 -1.00 0.00 0.00 179.01 178.86 2wx5 h ARG 247 N -0.32 0.28 0.52 2.33 3.08 -0.91 -2.44 114.38 116.92 2wx5 h ARG 247 Ca -0.02 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2wx5 h ARG 247 Cb 0.89 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.89 2wx5 h ARG 247 CO 0.05 0.29 -0.25 0.00 -1.07 0.00 0.00 179.97 178.99 2wx5 h ALA 248 N 1.75 -0.70 -1.09 0.04 0.00 -1.42 -0.32 119.26 117.52 2wx5 h ALA 248 Ca 0.07 -0.17 0.34 0.00 0.00 0.00 0.00 54.91 55.15 2wx5 h ALA 248 Cb 0.17 0.27 -0.13 0.00 0.00 0.00 0.00 17.79 18.10 2wx5 h ALA 248 CO 0.00 -0.66 0.66 0.00 0.00 0.00 0.00 179.25 179.25 2wx5 h ALA 249 N -1.10 2.20 0.00 0.00 0.00 -1.33 -1.06 119.26 117.97 2wx5 h ALA 249 Ca -0.07 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2wx5 h ALA 249 Cb 0.56 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2wx5 h ALA 249 CO 0.12 -0.77 -0.88 -0.07 0.00 0.00 0.00 179.25 177.65 2wx5 h LEU 250 N 0.29 0.00 -1.00 0.00 3.38 -1.11 -1.94 115.31 114.93 2wx5 h LEU 250 Ca 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.68 2wx5 h LEU 250 Cb 1.85 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.55 2wx5 h LEU 250 CO -0.49 0.31 0.52 0.15 0.09 0.00 0.00 178.44 179.02 2wx5 h PHE 251 N 0.00 1.18 0.02 1.13 3.04 0.30 -1.61 116.94 121.00 2wx5 h PHE 251 Ca -0.06 -0.01 -0.26 0.00 3.98 0.00 0.00 57.97 61.63 2wx5 h PHE 251 Cb 1.29 -0.38 -0.03 0.00 2.56 0.00 0.00 35.95 39.38 2wx5 h PHE 251 CO 0.00 0.79 -1.36 -1.49 -2.02 0.00 0.00 178.31 174.24 2wx5 h TRP 252 N 1.22 0.06 -0.31 0.41 4.06 -1.37 -1.53 115.95 118.49 2wx5 h TRP 252 Ca 0.32 -0.05 -0.05 0.00 2.06 0.00 0.00 58.89 61.17 2wx5 h TRP 252 Cb -0.03 -0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 2wx5 h TRP 252 CO 0.01 1.06 -0.00 -0.09 -3.56 0.00 0.00 178.44 175.85 2wx5 h ARG 253 N 0.01 0.55 -0.06 0.49 2.43 -1.27 0.35 114.38 116.87 2wx5 h ARG 253 Ca -0.15 -0.18 -0.18 0.00 -0.81 0.00 0.00 59.98 58.66 2wx5 h ARG 253 Cb 1.90 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.40 2wx5 h ARG 253 CO 0.11 0.69 -0.74 -1.49 -1.51 0.00 0.00 179.97 177.04 2wx5 h TRP 254 N 0.34 0.46 0.02 2.20 6.55 -1.25 0.26 115.95 124.52 2wx5 h TRP 254 Ca 0.09 -0.21 -0.00 0.00 0.95 0.00 0.00 58.89 59.72 2wx5 h TRP 254 Cb 0.45 -0.07 0.00 0.00 -0.86 0.00 0.00 29.16 28.68 2wx5 h TRP 254 CO 0.04 0.96 -0.01 1.15 -1.05 0.00 0.00 178.44 179.53 2wx5 h THR 255 N 0.23 1.38 0.00 1.49 2.02 -1.13 -3.41 112.91 113.49 2wx5 h THR 255 Ca -0.03 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.91 2wx5 h THR 255 Cb 1.31 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 2wx5 h THR 255 CO 0.12 0.32 0.00 1.15 0.37 0.00 0.00 175.52 177.48 2wx5 n MET 256 N -4.84 0.58 -0.62 6.66 0.00 0.12 -5.03 117.12 113.98 2wx5 n MET 256 Ca -0.09 -0.63 0.00 0.00 0.00 0.00 0.00 57.70 56.99 2wx5 n MET 256 Cb 0.27 -0.64 0.00 0.00 0.00 0.00 0.00 33.22 32.85 2wx5 n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wx5 n GLY 257 N -0.11 1.00 3.59 3.17 0.00 0.91 -4.95 105.19 108.80 2wx5 n GLY 257 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2wx5 n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wx5 s PHE 258 N -3.32 0.50 0.23 1.61 -0.71 -1.25 -4.92 117.98 110.12 2wx5 s PHE 258 Ca 0.00 -0.87 -0.05 0.00 -1.04 0.00 0.00 56.93 54.98 2wx5 s PHE 258 Cb 0.00 0.20 0.02 0.00 -1.21 0.00 0.00 43.02 42.03 2wx5 s PHE 258 CO 0.00 -1.10 0.40 0.27 -1.34 0.00 0.00 175.22 173.45 2wx5 n ASN 259 N -0.75 -1.13 -4.59 1.98 6.94 -1.26 -3.02 115.26 113.43 2wx5 n ASN 259 Ca -0.02 -2.11 -0.27 0.00 -0.02 0.00 0.00 54.58 52.16 2wx5 n ASN 259 Cb 0.62 1.98 -0.03 0.00 -2.36 0.00 0.00 39.78 39.98 2wx5 n ASN 259 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wx5 n ALA 260 N -1.51 0.63 -2.51 -2.53 0.00 -1.26 -5.06 120.51 108.26 2wx5 n ALA 260 Ca -0.10 -2.10 -0.25 0.00 0.00 0.00 0.00 53.44 51.00 2wx5 n ALA 260 Cb 0.37 0.99 -0.08 0.00 0.00 0.00 0.00 19.45 20.73 2wx5 n ALA 260 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wx5 s THR 261 N -2.62 2.53 0.49 0.00 -4.23 -1.26 -4.71 115.64 105.84 2wx5 s THR 261 Ca 0.17 -1.86 0.18 0.00 -1.18 0.00 0.00 61.69 59.00 2wx5 s THR 261 Cb -0.01 -2.90 0.25 0.00 1.34 0.00 0.00 72.50 71.18 2wx5 s THR 261 CO 0.11 -0.12 2.09 -0.03 -0.54 0.00 0.00 174.62 176.13 2wx5 h MET 262 N 1.66 0.00 0.00 3.99 4.05 -1.92 0.12 114.93 122.83 2wx5 h MET 262 Ca -0.43 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 58.94 2wx5 h MET 262 Cb 1.25 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.04 2wx5 h MET 262 CO 0.68 0.08 -0.35 1.49 0.23 0.00 0.00 176.91 179.05 2wx5 h GLU 263 N 0.00 0.00 -0.77 0.39 4.81 -1.94 -3.40 114.58 113.67 2wx5 h GLU 263 Ca -0.00 0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.38 2wx5 h GLU 263 Cb 0.16 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.40 2wx5 h GLU 263 CO 0.01 0.65 -0.23 0.78 -0.73 0.00 0.00 179.01 179.49 2wx5 h GLY 264 N -1.00 0.43 -0.56 1.92 0.00 -1.85 -1.12 103.07 100.89 2wx5 h GLY 264 Ca -0.08 0.30 0.34 0.00 0.00 0.00 0.00 47.33 47.89 2wx5 h GLY 264 CO -0.05 -0.28 0.74 1.19 0.00 0.00 0.00 176.54 178.14 2wx5 h ILE 265 N -0.03 0.34 0.00 2.60 6.09 -1.19 0.80 117.51 126.13 2wx5 h ILE 265 Ca 0.35 -0.09 -0.07 0.00 -1.37 0.00 0.00 64.86 63.68 2wx5 h ILE 265 Cb 0.57 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 37.92 2wx5 h ILE 265 CO -0.80 0.05 -0.35 0.45 -3.07 0.00 0.00 178.15 174.42 2wx5 h HIS 266 N 0.26 0.00 0.01 2.19 3.86 -1.41 0.13 115.15 120.20 2wx5 h HIS 266 Ca 0.70 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.87 2wx5 h HIS 266 Cb 1.96 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.44 2wx5 h HIS 266 CO -0.00 0.35 -0.13 0.00 0.86 0.00 0.00 177.93 179.00 2wx5 h ARG 267 N 0.00 0.07 -0.93 2.45 3.08 0.64 -0.65 114.38 119.03 2wx5 h ARG 267 Ca -0.00 -0.09 0.14 0.00 0.07 0.00 0.00 59.98 60.10 2wx5 h ARG 267 Cb 0.97 0.03 -0.15 0.00 0.08 0.00 0.00 29.97 30.90 2wx5 h ARG 267 CO 0.05 0.93 -0.40 -1.49 -1.07 0.00 0.00 179.97 177.99 2wx5 h TRP 268 N -0.74 -1.12 0.16 3.04 4.06 -1.01 -1.78 115.95 118.55 2wx5 h TRP 268 Ca -0.02 0.10 0.01 0.00 2.06 0.00 0.00 58.89 61.04 2wx5 h TRP 268 Cb 0.99 0.63 -0.03 0.00 -1.00 0.00 0.00 29.16 29.75 2wx5 h TRP 268 CO 0.22 -0.40 -0.24 0.00 -3.56 0.00 0.00 178.44 174.46 2wx5 h ALA 269 N 1.26 -0.44 -0.34 1.49 0.00 -0.70 -1.19 119.26 119.33 2wx5 h ALA 269 Ca 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2wx5 h ALA 269 Cb 0.58 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2wx5 h ALA 269 CO -0.94 -0.79 0.15 0.97 0.00 0.00 0.00 179.25 178.65 2wx5 h ILE 270 N -0.47 1.13 -0.01 0.00 2.10 -0.49 -3.02 117.51 116.74 2wx5 h ILE 270 Ca 0.02 -0.38 -0.09 0.00 1.08 0.00 0.00 64.86 65.49 2wx5 h ILE 270 Cb 0.47 0.70 0.01 0.00 -1.09 0.00 0.00 36.82 36.91 2wx5 h ILE 270 CO -0.11 0.15 -0.35 -0.50 -1.08 0.00 0.00 178.15 176.26 2wx5 h TRP 271 N 0.48 0.38 -0.81 2.19 4.06 -1.08 -2.50 115.95 118.67 2wx5 h TRP 271 Ca 0.12 -0.20 0.10 0.00 2.06 0.00 0.00 58.89 60.97 2wx5 h TRP 271 Cb 0.07 -0.05 -0.12 0.00 -1.00 0.00 0.00 29.16 28.07 2wx5 h TRP 271 CO 0.00 0.99 -0.51 1.98 -3.56 0.00 0.00 178.44 177.34 2wx5 h MET 272 N -0.33 -0.11 0.17 0.49 4.05 -1.14 -1.07 114.93 116.98 2wx5 h MET 272 Ca -0.04 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2wx5 h MET 272 Cb 1.08 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.90 2wx5 h MET 272 CO 0.07 -0.07 -0.10 0.00 0.23 0.00 0.00 176.91 177.03 2wx5 h ALA 273 N 0.61 -0.25 0.00 0.39 0.00 -1.61 -3.11 119.26 115.29 2wx5 h ALA 273 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wx5 h ALA 273 Cb 0.51 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wx5 h ALA 273 CO -0.84 -0.65 0.00 -0.39 0.00 0.00 0.00 179.25 177.37 2wx5 h VAL 274 N -0.27 0.00 0.00 0.00 -1.51 -0.91 -2.42 116.25 111.14 2wx5 h VAL 274 Ca -0.01 -0.44 -0.02 0.00 -1.23 0.00 0.00 66.70 64.99 2wx5 h VAL 274 Cb 0.22 1.34 -0.00 0.00 -2.13 0.00 0.00 31.29 30.72 2wx5 h VAL 274 CO 0.01 0.00 -0.11 -0.07 -1.23 0.00 0.00 177.57 176.18 2wx5 h LEU 275 N 0.00 0.00 0.05 4.19 3.38 -1.15 -2.43 115.31 119.36 2wx5 h LEU 275 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2wx5 h LEU 275 Cb 0.59 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 2wx5 h LEU 275 CO 0.00 0.11 -0.49 0.58 0.09 0.00 0.00 178.44 178.73 2wx5 h VAL 276 N 0.00 0.06 -0.00 1.22 2.07 -1.48 -2.31 116.25 115.81 2wx5 h VAL 276 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2wx5 h VAL 276 Cb 0.89 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2wx5 h VAL 276 CO 0.01 0.00 -0.16 0.35 0.02 0.00 0.00 177.57 177.79 2wx5 n THR 277 N -5.47 0.00 0.02 2.57 -2.24 -1.22 -2.33 114.28 105.61 2wx5 n THR 277 Ca -0.07 -0.02 -0.03 0.00 -2.27 0.00 0.00 64.05 61.66 2wx5 n THR 277 Cb 0.39 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 2wx5 n THR 277 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wx5 h LEU 278 N 0.16 -0.14 -1.09 3.22 5.85 -1.07 -2.39 115.31 119.83 2wx5 h LEU 278 Ca 0.00 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2wx5 h LEU 278 Cb 0.45 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 2wx5 h LEU 278 CO 0.00 0.35 0.61 0.71 -0.34 0.00 0.00 178.44 179.78 2wx5 h THR 279 N -1.04 1.12 -0.00 1.05 1.35 -1.56 -2.66 112.91 111.16 2wx5 h THR 279 Ca -0.02 -0.39 0.01 0.00 -0.55 0.00 0.00 66.41 65.46 2wx5 h THR 279 Cb 0.17 -0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.47 2wx5 h THR 279 CO 0.03 0.21 -0.05 1.23 -0.25 0.00 0.00 175.52 176.68 2wx5 h GLY 280 N 1.13 -0.05 2.00 5.82 0.00 -1.55 0.36 103.07 110.78 2wx5 h GLY 280 Ca 0.39 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 2wx5 h GLY 280 CO -0.14 -0.06 -0.07 -1.33 0.00 0.00 0.00 176.54 174.95 2wx5 h GLY 281 N -0.09 0.00 0.26 4.60 0.00 -1.09 -0.32 103.07 106.42 2wx5 h GLY 281 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2wx5 h GLY 281 CO -0.06 0.00 -0.05 -2.22 0.00 0.00 0.00 176.54 174.21 2wx5 h ILE 282 N 0.00 0.92 -0.89 2.60 2.04 -1.12 -1.88 117.51 119.18 2wx5 h ILE 282 Ca -0.00 -1.32 0.19 0.00 1.00 0.00 0.00 64.86 64.73 2wx5 h ILE 282 Cb 0.14 1.61 -0.17 0.00 -0.74 0.00 0.00 36.82 37.66 2wx5 h ILE 282 CO 0.01 0.26 -0.15 1.23 0.00 0.00 0.00 178.15 179.50 2wx5 h GLY 283 N -0.89 0.78 1.12 5.37 0.00 -0.46 -0.43 103.07 108.55 2wx5 h GLY 283 Ca -0.02 0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.42 2wx5 h GLY 283 CO 0.02 -0.36 -0.28 -2.22 0.00 0.00 0.00 176.54 173.71 2wx5 h ILE 284 N 0.01 1.27 -0.13 2.60 1.08 -1.13 -3.16 117.51 118.06 2wx5 h ILE 284 Ca 0.46 -1.45 -0.13 0.00 -0.39 0.00 0.00 64.86 63.35 2wx5 h ILE 284 Cb 0.76 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 35.72 2wx5 h ILE 284 CO -0.89 0.49 -0.49 0.25 -0.69 0.00 0.00 178.15 176.82 2wx5 h LEU 285 N 0.82 0.36 -1.14 1.44 5.85 -0.31 -2.49 115.31 119.85 2wx5 h LEU 285 Ca 0.09 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2wx5 h LEU 285 Cb 0.86 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 2wx5 h LEU 285 CO 0.08 0.80 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.84 2wx5 h LEU 286 N 0.27 0.00 -8.67 2.25 3.38 -1.16 -3.39 115.31 107.98 2wx5 h LEU 286 Ca 0.01 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.43 2wx5 h LEU 286 Cb 0.97 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 2wx5 h LEU 286 CO 0.08 0.07 1.03 -0.44 0.09 0.00 0.00 178.44 179.27 2wx5 s SER 287 N -5.92 6.37 0.00 -0.43 0.01 -0.94 -1.49 113.70 111.30 2wx5 s SER 287 Ca 0.02 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.71 2wx5 s SER 287 Cb 0.09 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2wx5 s SER 287 CO 0.59 -1.48 0.00 0.61 0.41 0.00 0.00 173.24 173.37 2wx5 n GLY 288 N 5.07 0.50 0.10 3.44 0.00 0.14 -4.84 105.19 109.60 2wx5 n GLY 288 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 2wx5 n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wx5 n THR 289 N -2.00 1.20 0.00 2.61 -2.24 -1.07 -4.81 114.28 107.97 2wx5 n THR 289 Ca 0.00 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 2wx5 n THR 289 Cb 0.00 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 2wx5 n THR 289 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2wx5 n VAL 290 N -2.98 0.00 -4.69 2.28 0.31 -0.56 -5.04 118.33 107.65 2wx5 n VAL 290 Ca -0.35 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.69 2wx5 n VAL 290 Cb 0.94 -0.58 -0.17 0.00 -0.91 0.00 0.00 33.84 33.12 2wx5 n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2wx5 s VAL 291 N -1.67 1.66 -0.13 2.52 1.01 -0.78 -4.99 120.40 118.02 2wx5 s VAL 291 Ca 0.00 -0.76 0.19 0.00 0.00 0.00 0.00 61.98 61.41 2wx5 s VAL 291 Cb 0.00 -1.48 -0.20 0.00 0.00 0.00 0.00 36.38 34.70 2wx5 s VAL 291 CO 0.00 0.47 0.60 0.47 0.00 0.00 0.00 175.10 176.64 2wx5 n ASP 292 N 3.95 0.47 -3.58 3.32 10.43 -1.26 0.28 116.55 130.15 2wx5 n ASP 292 Ca -0.20 0.20 -0.11 0.00 2.57 0.00 0.00 54.79 57.25 2wx5 n ASP 292 Cb 0.52 0.82 -0.11 0.00 1.84 0.00 0.00 41.12 44.19 2wx5 n ASP 292 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 2wx5 s ASN 293 N -5.36 0.16 0.23 -2.24 3.84 -1.26 -4.33 114.94 105.98 2wx5 s ASN 293 Ca -0.05 0.62 0.01 0.00 0.21 0.00 0.00 52.86 53.64 2wx5 s ASN 293 Cb 0.10 1.02 0.23 0.00 -0.55 0.00 0.00 41.25 42.05 2wx5 s ASN 293 CO 0.84 -0.26 1.58 -0.50 -2.79 0.00 0.00 177.10 175.97 2wx5 h TRP 294 N 8.22 0.53 -0.12 0.43 4.06 -1.19 -1.39 115.95 126.49 2wx5 h TRP 294 Ca -0.16 -0.17 0.03 0.00 2.06 0.00 0.00 58.89 60.65 2wx5 h TRP 294 Cb 1.12 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 29.14 2wx5 h TRP 294 CO 0.27 0.84 -0.09 -0.92 -3.56 0.00 0.00 178.44 174.98 2wx5 h TYR 295 N 0.34 -0.21 0.22 0.49 3.20 -1.80 0.75 116.97 119.95 2wx5 h TYR 295 Ca 0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 2wx5 h TYR 295 Cb 0.99 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 2wx5 h TYR 295 CO 0.03 -0.14 -0.13 0.28 -1.64 0.00 0.00 178.16 176.57 2wx5 h VAL 296 N -0.09 0.00 -1.07 1.81 2.07 -1.87 -2.37 116.25 114.72 2wx5 h VAL 296 Ca 0.08 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.89 2wx5 h VAL 296 Cb 0.21 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.88 2wx5 h VAL 296 CO -0.18 0.00 0.69 -0.25 0.02 0.00 0.00 177.57 177.85 2wx5 h TRP 297 N -0.32 0.61 0.00 1.57 7.01 -1.27 0.85 115.95 124.41 2wx5 h TRP 297 Ca -0.03 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2wx5 h TRP 297 Cb 0.26 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 2wx5 h TRP 297 CO 0.06 0.03 0.00 0.78 -2.79 0.00 0.00 178.44 176.52 2wx5 h GLY 298 N 0.34 0.00 0.16 2.65 0.00 -0.33 -1.19 103.07 104.70 2wx5 h GLY 298 Ca 0.62 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.58 2wx5 h GLY 298 CO -0.30 0.00 -2.12 -1.06 0.00 0.00 0.00 176.54 173.06 2wx5 n GLN 299 N -2.63 0.65 0.09 4.80 1.13 0.29 -4.25 117.38 117.46 2wx5 n GLN 299 Ca -0.02 0.29 -0.06 0.00 -1.94 0.00 0.00 57.00 55.28 2wx5 n GLN 299 Cb 0.08 -1.61 -0.01 0.00 0.11 0.00 0.00 30.24 28.81 2wx5 n GLN 299 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 2wx5 h ASN 300 N -0.43 0.08 -3.41 1.08 -0.26 -1.50 -3.42 115.58 107.73 2wx5 h ASN 300 Ca -0.52 -0.07 -0.68 0.00 -0.56 0.00 0.00 56.30 54.47 2wx5 h ASN 300 Cb 1.75 -0.02 -0.38 0.00 -1.06 0.00 0.00 38.32 38.61 2wx5 h ASN 300 CO -0.15 0.91 -0.29 -1.00 -1.06 0.00 0.00 177.43 175.85 2wx5 s HIS 301 N -3.08 3.72 0.00 1.19 3.76 -0.46 -5.14 115.29 115.29 2wx5 s HIS 301 Ca -0.01 -3.09 0.00 0.00 -0.15 0.00 0.00 55.06 51.81 2wx5 s HIS 301 Cb 0.11 -3.07 0.00 0.00 1.11 0.00 0.00 32.58 30.73 2wx5 s HIS 301 CO 0.81 -0.69 0.00 0.41 -0.85 0.00 0.00 174.74 174.42