#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wc4 s LYS 4 N 0.00 0.60 -0.14 7.34 1.02 -0.75 -5.01 119.74 122.79 2wc4 s LYS 4 Ca 0.00 -0.98 -0.13 0.00 0.02 0.00 0.00 55.97 54.89 2wc4 s LYS 4 Cb 0.00 -1.78 -0.05 0.00 -0.52 0.00 0.00 37.83 35.48 2wc4 s LYS 4 CO 0.00 -1.01 0.28 0.21 -0.92 0.00 0.00 175.35 173.91 2wc4 s LYS 5 N 1.68 4.12 0.82 1.68 2.47 -1.26 -1.35 119.74 127.91 2wc4 s LYS 5 Ca 0.10 0.08 -0.11 0.00 -1.56 0.00 0.00 55.97 54.48 2wc4 s LYS 5 Cb -0.17 -3.38 0.10 0.00 -1.46 0.00 0.00 37.83 32.93 2wc4 s LYS 5 CO -0.27 0.35 1.17 -0.06 0.16 0.00 0.00 175.35 176.71 2wc4 s PHE 6 N 0.12 2.59 0.49 4.03 0.40 0.15 -4.99 117.98 120.78 2wc4 s PHE 6 Ca 0.16 0.55 -0.23 0.00 -0.60 0.00 0.00 56.93 56.82 2wc4 s PHE 6 Cb -0.13 -3.56 -0.06 0.00 0.51 0.00 0.00 43.02 39.77 2wc4 s PHE 6 CO 0.04 -1.90 1.25 -2.14 0.70 0.00 0.00 175.22 173.18 2wc4 s PRO 7 N -5.57 3.51 0.20 0.24 0.02 -1.26 -4.93 135.00 127.22 2wc4 s PRO 7 Ca 0.64 1.98 -0.32 0.00 0.02 0.00 0.00 61.00 63.32 2wc4 s PRO 7 Cb -0.09 -2.36 -0.15 0.00 0.02 0.00 0.00 34.50 31.92 2wc4 s PRO 7 CO 0.49 -0.81 1.24 -0.85 -0.33 0.00 0.00 177.00 176.74 2wc4 n GLU 8 N -0.68 1.45 -0.40 5.54 -0.00 -1.26 -1.20 120.64 124.09 2wc4 n GLU 8 Ca 0.08 0.52 0.00 0.00 -0.00 0.00 0.00 57.16 57.76 2wc4 n GLU 8 Cb 0.47 -2.06 0.00 0.00 -0.00 0.00 0.00 31.44 29.84 2wc4 n GLU 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wc4 n GLY 9 N 2.03 1.09 3.65 -1.84 0.00 -1.26 -5.02 105.19 103.84 2wc4 n GLY 9 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2wc4 n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wc4 n PHE 10 N -2.00 1.70 -3.70 1.61 7.35 -0.34 -4.95 117.46 117.14 2wc4 n PHE 10 Ca 0.00 0.58 -0.38 0.00 -0.76 0.00 0.00 57.45 56.89 2wc4 n PHE 10 Cb 0.00 -2.32 -0.12 0.00 0.35 0.00 0.00 39.48 37.39 2wc4 n PHE 10 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 2wc4 s LEU 11 N -0.64 3.83 -0.24 -2.13 2.96 -0.64 -5.00 118.68 116.81 2wc4 s LEU 11 Ca 0.59 -0.39 -0.09 0.00 -0.22 0.00 0.00 54.13 54.02 2wc4 s LEU 11 Cb -0.59 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 2wc4 s LEU 11 CO 0.59 -0.13 0.12 0.26 -1.32 0.00 0.00 176.35 175.88 2wc4 s TRP 12 N 1.61 3.19 0.32 5.38 0.52 -1.26 -0.98 118.94 127.73 2wc4 s TRP 12 Ca 0.05 -0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.14 2wc4 s TRP 12 Cb -0.16 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.87 2wc4 s TRP 12 CO 0.05 -0.12 0.12 0.20 0.02 0.00 0.00 176.95 177.22 2wc4 s GLY 13 N 1.30 2.11 0.16 0.98 0.00 0.26 -1.74 107.32 110.39 2wc4 s GLY 13 Ca 0.06 -1.72 0.04 0.00 0.00 0.00 0.00 44.72 43.10 2wc4 s GLY 13 CO 0.05 -1.68 -0.09 -1.34 0.00 0.00 0.00 173.10 170.04 2wc4 s VAL 14 N -3.50 1.17 0.02 1.40 -7.23 -0.89 -1.52 120.40 109.85 2wc4 s VAL 14 Ca 0.34 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 2wc4 s VAL 14 Cb 0.06 -1.90 -0.01 0.00 0.56 0.00 0.00 36.38 35.08 2wc4 s VAL 14 CO 0.16 -0.70 -0.10 0.00 -0.31 0.00 0.00 175.10 174.14 2wc4 s ALA 15 N -3.33 0.86 0.34 1.32 0.00 -0.29 -0.62 121.76 120.04 2wc4 s ALA 15 Ca 0.18 -0.59 0.07 0.00 0.00 0.00 0.00 51.96 51.62 2wc4 s ALA 15 Cb 0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2wc4 s ALA 15 CO 0.01 0.16 0.26 0.95 0.00 0.00 0.00 175.76 177.15 2wc4 s THR 16 N -0.60 0.06 0.02 0.00 -4.23 0.77 -2.52 115.64 109.13 2wc4 s THR 16 Ca 0.01 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2wc4 s THR 16 Cb -0.06 -2.48 -0.01 0.00 1.34 0.00 0.00 72.50 71.29 2wc4 s THR 16 CO 0.00 0.00 -0.04 0.00 -0.54 0.00 0.00 174.62 174.04 2wc4 s ALA 17 N -3.42 0.31 0.14 3.99 0.00 -1.26 -3.62 121.76 117.89 2wc4 s ALA 17 Ca 0.39 -0.42 -0.25 0.00 0.00 0.00 0.00 51.96 51.67 2wc4 s ALA 17 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 2wc4 s ALA 17 CO 0.26 -0.02 1.62 0.66 0.00 0.00 0.00 175.76 178.28 2wc4 h SER 18 N 5.27 -0.93 0.71 0.00 4.64 -1.89 -1.65 113.55 119.70 2wc4 h SER 18 Ca -0.30 0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 61.12 2wc4 h SER 18 Cb 1.20 0.40 -0.01 0.00 -0.31 0.00 0.00 62.40 63.69 2wc4 h SER 18 CO 0.45 -0.34 -0.17 0.22 -0.87 0.00 0.00 176.83 176.12 2wc4 h TYR 19 N -0.37 0.00 0.00 4.77 3.20 -1.92 -0.24 116.97 122.41 2wc4 h TYR 19 Ca 0.10 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.85 2wc4 h TYR 19 Cb 0.52 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 2wc4 h TYR 19 CO -0.39 0.17 -0.56 1.96 -1.64 0.00 0.00 178.16 177.70 2wc4 h GLN 20 N 0.00 0.00 0.00 1.82 4.20 -1.58 -3.38 115.11 116.17 2wc4 h GLN 20 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2wc4 h GLN 20 Cb 0.58 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 2wc4 h GLN 20 CO 0.02 0.56 -1.11 0.44 -0.67 0.00 0.00 178.83 178.07 2wc4 n ILE 21 N -3.29 0.05 0.01 2.54 -5.35 -1.00 -1.86 119.36 110.47 2wc4 n ILE 21 Ca 0.01 -0.06 -0.18 0.00 -0.27 0.00 0.00 62.75 62.25 2wc4 n ILE 21 Cb 0.73 -0.12 -0.11 0.00 -1.74 0.00 0.00 39.64 38.40 2wc4 n ILE 21 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2wc4 h GLU 22 N 0.00 0.43 0.00 6.28 5.08 -1.23 -1.62 114.58 123.52 2wc4 h GLU 22 Ca -0.02 -0.49 0.11 0.00 -1.00 0.00 0.00 59.36 57.96 2wc4 h GLU 22 Cb 0.52 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2wc4 h GLU 22 CO 0.00 1.14 -0.15 0.41 -1.00 0.00 0.00 179.01 179.42 2wc4 n GLY 23 N 1.13 -1.57 3.89 -3.84 0.00 -1.20 -1.43 105.19 102.17 2wc4 n GLY 23 Ca -0.11 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 2wc4 n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wc4 n SER 24 N -2.39 -1.64 0.29 1.61 7.64 -0.15 -4.72 113.62 114.25 2wc4 n SER 24 Ca 0.00 -1.02 0.17 0.00 1.01 0.00 0.00 58.87 59.03 2wc4 n SER 24 Cb 0.19 -3.08 0.89 0.00 -1.01 0.00 0.00 64.21 61.20 2wc4 n SER 24 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2wc4 h PRO 25 N -1.89 0.00 -0.29 1.43 0.13 -1.81 -2.66 132.00 126.91 2wc4 h PRO 25 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2wc4 h PRO 25 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2wc4 h PRO 25 CO 0.58 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.68 2wc4 n LEU 26 N -3.35 3.10 -4.77 1.56 4.77 -1.26 -4.67 117.00 112.38 2wc4 n LEU 26 Ca -0.02 -2.30 -0.37 0.00 -0.03 0.00 0.00 56.01 53.29 2wc4 n LEU 26 Cb 0.19 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2wc4 n LEU 26 CO 0.26 0.70 0.84 0.00 -1.33 0.00 0.00 177.39 177.85 2wc4 s ALA 27 N -1.53 3.03 -1.43 -1.18 0.00 -1.01 -3.98 121.76 115.66 2wc4 s ALA 27 Ca 0.27 0.95 -0.10 0.00 0.00 0.00 0.00 51.96 53.08 2wc4 s ALA 27 Cb 0.17 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.95 2wc4 s ALA 27 CO 0.12 -0.63 1.01 -0.25 0.00 0.00 0.00 175.76 176.02 2wc4 n ASP 28 N -0.31 -4.67 0.00 0.00 8.00 -1.26 -2.23 116.55 116.08 2wc4 n ASP 28 Ca 0.06 -0.70 0.00 0.00 0.71 0.00 0.00 54.79 54.86 2wc4 n ASP 28 Cb 0.47 -4.34 0.00 0.00 -0.02 0.00 0.00 41.12 37.23 2wc4 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wc4 n GLY 29 N -1.75 0.84 3.74 0.44 0.00 -1.26 -4.65 105.19 102.56 2wc4 n GLY 29 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2wc4 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wc4 n ALA 30 N -0.69 1.74 -2.10 4.61 0.00 -0.94 -4.77 120.51 118.35 2wc4 n ALA 30 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 53.44 53.39 2wc4 n ALA 30 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.11 2wc4 n ALA 30 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wc4 s GLY 31 N -0.53 1.57 0.61 0.00 0.00 -0.51 -4.73 107.32 103.73 2wc4 s GLY 31 Ca 0.62 -0.33 -0.19 0.00 0.00 0.00 0.00 44.72 44.83 2wc4 s GLY 31 CO 0.57 -0.12 1.23 1.06 0.00 0.00 0.00 173.10 175.84 2wc4 s MET 32 N -4.92 2.85 0.40 2.90 -1.94 -1.26 -4.66 119.30 112.67 2wc4 s MET 32 Ca 0.51 1.89 0.08 0.00 -1.71 0.00 0.00 55.69 56.45 2wc4 s MET 32 Cb -0.11 -1.91 -0.02 0.00 2.01 0.00 0.00 34.83 34.81 2wc4 s MET 32 CO 0.49 -1.32 0.39 -1.54 -0.01 0.00 0.00 175.02 173.03 2wc4 s SER 33 N -1.55 5.18 0.45 3.03 1.04 -1.26 -0.49 113.70 120.10 2wc4 s SER 33 Ca 0.79 -0.66 0.30 0.00 0.48 0.00 0.00 55.95 56.87 2wc4 s SER 33 Cb -0.32 -0.66 1.29 0.00 0.10 0.00 0.00 66.02 66.43 2wc4 s SER 33 CO 0.35 -0.61 1.90 0.16 0.98 0.00 0.00 173.24 176.02 2wc4 h ILE 34 N 1.02 0.00 0.00 -1.02 3.07 -1.12 -2.56 117.51 116.90 2wc4 h ILE 34 Ca -0.42 -0.37 -0.22 0.00 1.55 0.00 0.00 64.86 65.40 2wc4 h ILE 34 Cb 1.27 1.26 -0.03 0.00 -0.27 0.00 0.00 36.82 39.05 2wc4 h ILE 34 CO 0.56 0.00 -1.12 -0.50 -1.05 0.00 0.00 178.15 176.04 2wc4 h TRP 35 N 0.00 0.00 0.10 0.16 4.06 -1.83 -0.08 115.95 118.35 2wc4 h TRP 35 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 2wc4 h TRP 35 Cb 0.42 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 2wc4 h TRP 35 CO 0.00 0.97 -0.11 1.25 -3.56 0.00 0.00 178.44 176.99 2wc4 h HIS 36 N 0.00 -0.29 -0.26 0.49 2.76 -1.87 -0.94 115.15 115.06 2wc4 h HIS 36 Ca -0.07 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.93 2wc4 h HIS 36 Cb 1.80 0.11 -0.00 0.00 1.55 0.00 0.00 27.41 30.87 2wc4 h HIS 36 CO 0.00 -0.17 -0.56 1.79 -1.30 0.00 0.00 177.93 177.69 2wc4 h THR 37 N -0.24 1.29 -0.18 6.26 1.35 -1.51 -0.69 112.91 119.19 2wc4 h THR 37 Ca 0.01 -1.76 -0.01 0.00 -0.55 0.00 0.00 66.41 64.10 2wc4 h THR 37 Cb 0.24 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 2wc4 h THR 37 CO -0.04 0.57 0.08 0.15 -0.25 0.00 0.00 175.52 176.03 2wc4 h PHE 38 N 0.60 0.26 0.00 4.73 3.57 -1.03 -2.73 116.94 122.35 2wc4 h PHE 38 Ca 0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 2wc4 h PHE 38 Cb 1.15 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 2wc4 h PHE 38 CO 0.07 0.29 -0.11 0.66 -2.23 0.00 0.00 178.31 176.98 2wc4 h SER 39 N 0.15 0.00 -0.13 0.41 4.64 -1.10 -1.89 113.55 115.63 2wc4 h SER 39 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2wc4 h SER 39 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2wc4 h SER 39 CO -0.01 0.11 0.00 1.41 -0.87 0.00 0.00 176.83 177.47 2wc4 n HIS 40 N -3.17 0.17 -3.58 4.77 8.25 -0.27 -4.73 115.22 116.65 2wc4 n HIS 40 Ca 0.02 -0.09 -0.37 0.00 -0.26 0.00 0.00 57.72 57.02 2wc4 n HIS 40 Cb 0.47 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.48 2wc4 n HIS 40 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2wc4 s THR 41 N -1.83 5.31 0.33 1.59 2.01 -0.71 -5.04 115.64 117.30 2wc4 s THR 41 Ca 0.14 0.28 -0.29 0.00 0.31 0.00 0.00 61.69 62.13 2wc4 s THR 41 Cb 0.07 -3.55 -0.11 0.00 0.01 0.00 0.00 72.50 68.92 2wc4 s THR 41 CO 0.10 0.29 1.53 -2.84 -0.69 0.00 0.00 174.62 173.01 2wc4 s PRO 42 N 1.38 4.13 0.00 4.92 0.02 -1.26 -2.60 135.00 141.59 2wc4 s PRO 42 Ca 0.09 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.66 2wc4 s PRO 42 Cb -0.15 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2wc4 s PRO 42 CO 0.07 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 2wc4 n GLY 43 N 1.34 0.70 0.11 0.52 0.00 -1.26 -4.94 105.19 101.66 2wc4 n GLY 43 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.06 2wc4 n GLY 43 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wc4 h ASN 44 N 0.00 0.00 -4.06 1.61 2.35 -1.78 -3.47 115.58 110.23 2wc4 h ASN 44 Ca 0.00 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.30 2wc4 h ASN 44 Cb 0.00 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 38.08 2wc4 h ASN 44 CO 0.00 0.60 -0.80 -0.69 -1.65 0.00 0.00 177.43 174.90 2wc4 s VAL 45 N -2.90 0.94 0.25 2.81 1.01 -1.26 -4.77 120.40 116.47 2wc4 s VAL 45 Ca -0.00 -0.49 -0.31 0.00 0.00 0.00 0.00 61.98 61.18 2wc4 s VAL 45 Cb 0.08 -0.79 -0.14 0.00 0.00 0.00 0.00 36.38 35.54 2wc4 s VAL 45 CO 0.79 0.27 1.33 0.29 0.00 0.00 0.00 175.10 177.78 2wc4 n LYS 46 N 2.90 1.90 -1.07 2.72 5.02 -0.32 -1.35 118.16 127.95 2wc4 n LYS 46 Ca -0.15 0.67 -0.02 0.00 -2.02 0.00 0.00 58.31 56.79 2wc4 n LYS 46 Cb 0.55 -2.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.28 2wc4 n LYS 46 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wc4 n ASN 47 N 1.85 -5.72 -0.60 4.39 3.02 -1.26 -2.07 115.26 114.87 2wc4 n ASN 47 Ca 0.11 0.06 -0.07 0.00 -0.03 0.00 0.00 54.58 54.64 2wc4 n ASN 47 Cb 0.31 -3.42 -0.03 0.00 -0.61 0.00 0.00 39.78 36.04 2wc4 n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wc4 n GLY 48 N 0.54 0.86 3.76 7.41 0.00 -0.46 -4.99 105.19 112.31 2wc4 n GLY 48 Ca -0.02 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 2wc4 n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wc4 s ASP 49 N -2.89 5.28 0.28 1.61 1.01 -0.88 -5.01 116.67 116.06 2wc4 s ASP 49 Ca 0.00 2.32 0.03 0.00 0.71 0.00 0.00 52.55 55.61 2wc4 s ASP 49 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2wc4 s ASP 49 CO 0.00 -1.52 0.20 0.42 0.21 0.00 0.00 175.17 174.48 2wc4 s THR 50 N -1.68 0.05 -0.75 -1.27 -4.23 -1.26 -4.78 115.64 101.72 2wc4 s THR 50 Ca 0.76 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.35 2wc4 s THR 50 Cb -0.28 -2.50 0.46 0.00 1.34 0.00 0.00 72.50 71.52 2wc4 s THR 50 CO 0.32 0.00 1.23 0.61 -0.54 0.00 0.00 174.62 176.25 2wc4 n GLY 51 N -0.48 2.19 0.32 3.99 0.00 -1.26 -4.51 105.19 105.43 2wc4 n GLY 51 Ca 0.04 -0.52 0.03 0.00 0.00 0.00 0.00 46.02 45.57 2wc4 n GLY 51 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wc4 h ASP 52 N 2.33 0.73 0.00 1.61 5.19 -1.94 -3.32 116.42 121.03 2wc4 h ASP 52 Ca 0.00 0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 56.36 2wc4 h ASP 52 Cb 1.26 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.65 2wc4 h ASP 52 CO 0.25 0.42 -1.31 0.52 -3.12 0.00 0.00 179.24 176.01 2wc4 n VAL 53 N -4.71 0.30 0.00 -1.35 0.31 -1.26 -0.98 118.33 110.64 2wc4 n VAL 53 Ca 0.14 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2wc4 n VAL 53 Cb 0.27 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 2wc4 n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wc4 n ALA 54 N -3.18 0.00 0.72 3.52 0.00 -1.26 -0.65 120.51 119.65 2wc4 n ALA 54 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.44 2wc4 n ALA 54 Cb 0.58 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.31 2wc4 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wc4 n ASP 56 N 0.96 -4.94 0.26 0.00 2.03 0.17 -4.85 116.55 110.20 2wc4 n ASP 56 Ca 0.18 -0.08 0.14 0.00 0.52 0.00 0.00 54.79 55.55 2wc4 n ASP 56 Cb 0.48 -4.09 0.72 0.00 -0.72 0.00 0.00 41.12 37.51 2wc4 n ASP 56 CO 0.00 0.00 0.00 -0.74 -1.92 0.00 0.00 177.20 174.54 2wc4 h HIS 57 N -0.51 0.00 -0.87 -0.67 -0.00 -0.70 -0.93 115.15 111.47 2wc4 h HIS 57 Ca -0.43 0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.11 2wc4 h HIS 57 Cb 1.30 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 28.65 2wc4 h HIS 57 CO 0.62 0.11 0.57 -0.92 -0.00 0.00 0.00 177.93 178.31 2wc4 h TYR 58 N 0.00 0.67 0.00 5.26 3.20 -1.47 -0.36 116.97 124.28 2wc4 h TYR 58 Ca -0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 2wc4 h TYR 58 Cb 0.40 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2wc4 h TYR 58 CO 0.00 0.23 -2.07 0.09 -1.64 0.00 0.00 178.16 174.77 2wc4 n ASN 59 N -4.54 0.19 -0.75 -2.11 3.02 -0.63 -4.62 115.26 105.82 2wc4 n ASN 59 Ca 0.17 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.79 2wc4 n ASN 59 Cb 0.55 1.69 0.17 0.00 -0.61 0.00 0.00 39.78 41.58 2wc4 n ASN 59 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wc4 n ARG 60 N -2.37 2.51 -0.34 3.52 1.74 -0.45 -4.69 116.66 116.58 2wc4 n ARG 60 Ca -0.12 -2.04 0.19 0.00 -0.77 0.00 0.00 57.85 55.11 2wc4 n ARG 60 Cb 0.71 -1.32 0.42 0.00 -1.02 0.00 0.00 32.46 31.24 2wc4 n ARG 60 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2wc4 h TRP 61 N 2.56 0.91 -0.57 -1.55 5.08 -1.31 -1.89 115.95 119.18 2wc4 h TRP 61 Ca 0.00 0.03 -0.06 0.00 1.08 0.00 0.00 58.89 59.94 2wc4 h TRP 61 Cb 0.75 -0.26 -0.02 0.00 -3.00 0.00 0.00 29.16 26.62 2wc4 h TRP 61 CO 0.24 0.08 0.12 -0.22 -1.28 0.00 0.00 178.44 177.38 2wc4 h LYS 62 N 0.54 0.92 -0.38 0.12 3.64 -1.87 -0.29 116.57 119.25 2wc4 h LYS 62 Ca 0.62 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.75 2wc4 h LYS 62 Cb 1.28 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 2wc4 h LYS 62 CO -0.41 0.87 0.16 1.49 -2.27 0.00 0.00 179.45 179.28 2wc4 h GLU 63 N 0.82 0.57 -0.81 1.90 4.81 -1.73 -0.67 114.58 119.47 2wc4 h GLU 63 Ca 0.18 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2wc4 h GLU 63 Cb 0.37 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2wc4 h GLU 63 CO 0.01 0.54 0.35 -0.44 -0.73 0.00 0.00 179.01 178.74 2wc4 h ASP 64 N 0.48 1.10 -0.22 1.04 3.32 -1.04 -1.18 116.42 119.90 2wc4 h ASP 64 Ca 0.13 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 2wc4 h ASP 64 Cb 0.18 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 2wc4 h ASP 64 CO -0.01 0.95 -0.18 0.40 -1.72 0.00 0.00 179.24 178.68 2wc4 h ILE 65 N 1.17 1.26 -0.02 0.35 2.04 -0.87 -2.40 117.51 119.04 2wc4 h ILE 65 Ca 0.27 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 2wc4 h ILE 65 Cb 0.18 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2wc4 h ILE 65 CO -0.03 0.40 -0.14 -0.33 0.00 0.00 0.00 178.15 178.06 2wc4 h GLU 66 N 0.59 0.02 -0.15 2.37 5.08 -0.31 0.10 114.58 122.28 2wc4 h GLU 66 Ca 0.09 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2wc4 h GLU 66 Cb 0.64 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2wc4 h GLU 66 CO 0.04 0.16 -0.10 0.82 -1.00 0.00 0.00 179.01 178.94 2wc4 h ILE 67 N 0.02 1.33 -0.45 3.13 2.04 -0.78 0.12 117.51 122.92 2wc4 h ILE 67 Ca 0.00 -1.19 0.09 0.00 1.00 0.00 0.00 64.86 64.77 2wc4 h ILE 67 Cb 0.26 1.78 -0.09 0.00 -0.74 0.00 0.00 36.82 38.03 2wc4 h ILE 67 CO 0.02 0.35 -0.14 0.40 0.00 0.00 0.00 178.15 178.78 2wc4 h ILE 68 N -0.00 0.50 -0.39 -0.67 2.04 -0.89 -1.55 117.51 116.54 2wc4 h ILE 68 Ca 0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.93 2wc4 h ILE 68 Cb 0.59 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2wc4 h ILE 68 CO 0.03 0.00 0.15 -0.08 0.00 0.00 0.00 178.15 178.25 2wc4 h GLU 69 N -0.03 0.31 -0.81 2.37 4.81 -0.86 -2.49 114.58 117.88 2wc4 h GLU 69 Ca 0.22 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.49 2wc4 h GLU 69 Cb 0.37 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.62 2wc4 h GLU 69 CO -0.48 0.21 0.53 -0.22 -0.73 0.00 0.00 179.01 178.32 2wc4 h LYS 70 N 0.32 0.87 -0.00 1.92 1.63 -0.35 -2.16 116.57 118.79 2wc4 h LYS 70 Ca 0.18 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2wc4 h LYS 70 Cb 0.14 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 2wc4 h LYS 70 CO -0.17 0.57 -0.02 1.28 -3.45 0.00 0.00 179.45 177.67 2wc4 n LEU 71 N -4.48 0.03 -0.06 5.20 4.32 -0.62 -4.90 117.00 116.48 2wc4 n LEU 71 Ca 0.12 0.41 -0.01 0.00 -0.02 0.00 0.00 56.01 56.51 2wc4 n LEU 71 Cb 0.21 -0.42 -0.00 0.00 -1.62 0.00 0.00 43.42 41.59 2wc4 n LEU 71 CO 0.33 0.01 -0.01 0.61 -1.22 0.00 0.00 177.39 177.11 2wc4 n GLY 72 N 1.43 0.48 3.76 -0.72 0.00 -0.81 -4.44 105.19 104.89 2wc4 n GLY 72 Ca 0.09 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 2wc4 n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wc4 s VAL 73 N -1.94 3.15 -0.98 1.61 1.01 -1.00 -4.87 120.40 117.38 2wc4 s VAL 73 Ca 0.00 1.13 0.09 0.00 0.00 0.00 0.00 61.98 63.20 2wc4 s VAL 73 Cb 0.00 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.71 2wc4 s VAL 73 CO 0.00 0.25 0.69 2.29 0.00 0.00 0.00 175.10 178.34 2wc4 n LYS 74 N 0.90 1.15 -4.29 2.72 2.85 -0.72 -4.69 118.16 116.07 2wc4 n LYS 74 Ca -0.00 -0.82 -0.18 0.00 -1.05 0.00 0.00 58.31 56.26 2wc4 n LYS 74 Cb 0.44 -1.11 -0.14 0.00 -0.65 0.00 0.00 35.03 33.57 2wc4 n LYS 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wc4 s ALA 75 N -0.98 0.83 -0.20 0.58 0.00 -0.71 0.19 121.76 121.47 2wc4 s ALA 75 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.47 2wc4 s ALA 75 Cb 0.07 -0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.10 2wc4 s ALA 75 CO 0.16 0.16 -0.07 -0.47 0.00 0.00 0.00 175.76 175.54 2wc4 s TYR 76 N -0.61 2.21 -0.33 0.00 5.04 -0.28 -2.09 117.35 121.28 2wc4 s TYR 76 Ca 0.00 -1.51 -0.17 0.00 -2.44 0.00 0.00 57.07 52.96 2wc4 s TYR 76 Cb -0.06 -1.53 -0.01 0.00 0.35 0.00 0.00 41.96 40.71 2wc4 s TYR 76 CO 0.00 -0.72 0.46 0.50 -1.34 0.00 0.00 175.55 174.45 2wc4 s ARG 77 N 1.46 3.71 0.12 4.97 3.52 0.21 -0.94 118.95 132.01 2wc4 s ARG 77 Ca -0.02 -0.14 0.02 0.00 -0.13 0.00 0.00 55.73 55.45 2wc4 s ARG 77 Cb -0.17 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.41 2wc4 s ARG 77 CO -0.07 -0.53 -0.05 -0.59 -0.81 0.00 0.00 175.30 173.24 2wc4 s PHE 78 N 2.25 1.01 0.26 5.12 -0.71 -0.77 -0.17 117.98 124.97 2wc4 s PHE 78 Ca 0.17 -0.92 0.08 0.00 -1.04 0.00 0.00 56.93 55.22 2wc4 s PHE 78 Cb -0.16 -0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 41.04 2wc4 s PHE 78 CO 0.12 -0.14 0.08 -1.54 -1.34 0.00 0.00 175.22 172.40 2wc4 s SER 79 N -3.09 4.97 -0.15 1.98 1.04 -1.24 -1.04 113.70 116.17 2wc4 s SER 79 Ca 0.15 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 56.06 2wc4 s SER 79 Cb 0.05 -1.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.05 2wc4 s SER 79 CO -0.02 -0.01 0.03 -0.63 0.98 0.00 0.00 173.24 173.59 2wc4 s ILE 80 N -2.22 4.53 -0.45 -1.02 1.01 -0.77 -4.03 121.20 118.25 2wc4 s ILE 80 Ca 0.32 -0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 2wc4 s ILE 80 Cb -0.07 -3.00 0.02 0.00 0.01 0.00 0.00 42.46 39.42 2wc4 s ILE 80 CO 0.22 0.51 1.32 -0.55 0.00 0.00 0.00 174.94 176.44 2wc4 s SER 81 N 0.01 6.41 0.19 3.58 0.15 -1.26 -4.68 113.70 118.11 2wc4 s SER 81 Ca 0.04 0.64 -0.12 0.00 0.70 0.00 0.00 55.95 57.21 2wc4 s SER 81 Cb -0.13 -2.54 0.21 0.00 -1.71 0.00 0.00 66.02 61.85 2wc4 s SER 81 CO 0.01 -1.41 1.71 -0.25 1.20 0.00 0.00 173.24 174.51 2wc4 h TRP 82 N 10.24 0.15 0.00 3.44 2.91 -1.84 -1.49 115.95 129.36 2wc4 h TRP 82 Ca -0.26 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.79 2wc4 h TRP 82 Cb 1.09 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 2wc4 h TRP 82 CO 0.98 -0.02 0.00 -0.35 -1.03 0.00 0.00 178.44 178.02 2wc4 n PRO 83 N -5.12 0.10 0.12 2.65 -0.04 -1.26 -0.50 135.00 130.94 2wc4 n PRO 83 Ca 0.06 0.13 -0.03 0.00 -0.04 0.00 0.00 63.50 63.62 2wc4 n PRO 83 Cb 0.26 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.35 2wc4 n PRO 83 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wc4 h ARG 84 N 0.00 0.06 0.03 0.54 3.08 -1.54 -1.32 114.38 115.24 2wc4 h ARG 84 Ca 0.00 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 59.83 2wc4 h ARG 84 Cb 0.30 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2wc4 h ARG 84 CO 0.00 0.69 -0.91 0.82 -1.07 0.00 0.00 179.97 179.50 2wc4 h ILE 85 N 0.04 1.23 -3.12 2.04 1.08 -0.94 -3.34 117.51 114.50 2wc4 h ILE 85 Ca -0.01 -2.30 -0.61 0.00 -0.39 0.00 0.00 64.86 61.55 2wc4 h ILE 85 Cb 1.16 2.73 -0.40 0.00 -3.07 0.00 0.00 36.82 37.24 2wc4 h ILE 85 CO 0.09 0.52 -0.73 -0.76 -0.69 0.00 0.00 178.15 176.58 2wc4 s LEU 86 N -7.89 2.96 0.49 1.44 1.43 0.34 0.40 118.68 117.84 2wc4 s LEU 86 Ca -0.23 -2.45 0.18 0.00 -1.03 0.00 0.00 54.13 50.59 2wc4 s LEU 86 Cb 0.03 -1.12 1.20 0.00 0.03 0.00 0.00 46.19 46.33 2wc4 s LEU 86 CO 0.67 -0.30 2.03 -0.65 0.23 0.00 0.00 176.35 178.34 2wc4 h PRO 87 N 7.02 0.18 -0.70 1.29 0.11 -1.74 0.78 132.00 138.94 2wc4 h PRO 87 Ca -0.04 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2wc4 h PRO 87 Cb 0.95 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2wc4 h PRO 87 CO 0.51 0.12 0.00 0.39 -0.21 0.00 0.00 178.00 178.80 2wc4 n GLU 88 N -4.46 2.72 0.00 1.05 -0.58 -1.26 -4.20 120.64 113.91 2wc4 n GLU 88 Ca 0.06 -2.63 0.00 0.00 -0.42 0.00 0.00 57.16 54.17 2wc4 n GLU 88 Cb 0.36 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 2wc4 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wc4 n GLY 89 N 1.61 2.46 3.45 0.62 0.00 0.27 -4.56 105.19 109.03 2wc4 n GLY 89 Ca 0.24 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 2wc4 n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wc4 s THR 90 N -0.46 0.50 0.00 2.61 -4.23 -1.26 -4.79 115.64 108.01 2wc4 s THR 90 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 2wc4 s THR 90 Cb 0.00 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.42 2wc4 s THR 90 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 2wc4 n GLY 91 N -0.80 0.47 3.71 3.99 0.00 -1.26 -4.84 105.19 106.47 2wc4 n GLY 91 Ca -0.03 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 2wc4 n GLY 91 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wc4 s ARG 92 N 0.00 4.26 0.13 1.61 1.70 -1.26 -4.98 118.95 120.41 2wc4 s ARG 92 Ca 0.00 2.21 -0.28 0.00 -0.47 0.00 0.00 55.73 57.19 2wc4 s ARG 92 Cb 0.00 -3.28 -0.07 0.00 -0.57 0.00 0.00 34.95 31.03 2wc4 s ARG 92 CO 0.00 -0.55 0.86 0.08 -1.08 0.00 0.00 175.30 174.61 2wc4 s VAL 93 N 1.39 4.44 -0.54 4.99 1.01 -1.26 -4.35 120.40 126.08 2wc4 s VAL 93 Ca 0.68 1.87 -0.24 0.00 0.00 0.00 0.00 61.98 64.28 2wc4 s VAL 93 Cb -0.39 -4.22 0.04 0.00 0.00 0.00 0.00 36.38 31.80 2wc4 s VAL 93 CO 0.31 0.42 0.93 0.21 0.00 0.00 0.00 175.10 176.96 2wc4 s ASN 94 N -0.53 6.35 0.31 3.32 2.47 0.16 -4.94 114.94 122.09 2wc4 s ASN 94 Ca 0.41 -0.32 0.03 0.00 0.42 0.00 0.00 52.86 53.40 2wc4 s ASN 94 Cb -0.23 -2.43 0.61 0.00 -1.45 0.00 0.00 41.25 37.75 2wc4 s ASN 94 CO 0.28 -1.20 1.88 -0.61 -3.72 0.00 0.00 177.10 173.72 2wc4 h GLN 95 N 9.28 0.91 0.00 0.43 5.75 -1.89 -1.55 115.11 128.03 2wc4 h GLN 95 Ca -0.26 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.16 2wc4 h GLN 95 Cb 1.07 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.42 2wc4 h GLN 95 CO 1.08 0.60 -0.11 0.87 -2.65 0.00 0.00 178.83 178.61 2wc4 h LYS 96 N 0.93 0.00 -0.17 1.69 1.57 -1.90 -0.57 116.57 118.13 2wc4 h LYS 96 Ca 0.44 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.14 2wc4 h LYS 96 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2wc4 h LYS 96 CO -0.20 0.11 -0.20 0.78 -0.57 0.00 0.00 179.45 179.37 2wc4 h GLY 97 N 1.92 0.46 0.61 3.86 0.00 -1.40 -2.61 103.07 105.92 2wc4 h GLY 97 Ca -0.00 -0.49 0.04 0.00 0.00 0.00 0.00 47.33 46.87 2wc4 h GLY 97 CO 0.01 0.45 -0.07 1.41 0.00 0.00 0.00 176.54 178.34 2wc4 h LEU 98 N 0.06 -0.23 -0.47 3.11 3.38 -1.31 -2.83 115.31 117.02 2wc4 h LEU 98 Ca 0.02 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.15 2wc4 h LEU 98 Cb 0.75 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.55 2wc4 h LEU 98 CO 0.05 -0.09 -0.08 0.44 0.09 0.00 0.00 178.44 178.84 2wc4 h ASP 99 N -0.05 -0.36 -0.23 -0.43 3.32 -1.13 0.67 116.42 118.21 2wc4 h ASP 99 Ca 0.09 0.13 0.06 0.00 0.02 0.00 0.00 57.03 57.33 2wc4 h ASP 99 Cb 0.18 0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 2wc4 h ASP 99 CO -0.19 -0.13 -0.19 0.15 -1.72 0.00 0.00 179.24 177.16 2wc4 h PHE 100 N 0.03 -0.50 0.00 4.55 3.57 -1.28 -2.04 116.94 121.28 2wc4 h PHE 100 Ca 0.23 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.63 2wc4 h PHE 100 Cb 0.35 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 2wc4 h PHE 100 CO -0.37 -0.27 -0.61 1.88 -2.23 0.00 0.00 178.31 176.71 2wc4 h TYR 101 N -0.20 0.00 -0.88 0.41 0.05 -1.21 -3.07 116.97 112.08 2wc4 h TYR 101 Ca 0.13 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.93 2wc4 h TYR 101 Cb 0.40 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.09 2wc4 h TYR 101 CO -0.35 0.61 0.57 -0.91 -1.05 0.00 0.00 178.16 177.04 2wc4 h ASN 102 N 0.00 0.97 -0.47 3.88 2.35 -0.47 -0.81 115.58 121.04 2wc4 h ASN 102 Ca -0.01 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 2wc4 h ASN 102 Cb 1.26 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.39 2wc4 h ASN 102 CO 0.08 0.68 0.05 0.03 -1.65 0.00 0.00 177.43 176.62 2wc4 h ARG 103 N 1.14 0.80 -0.11 0.81 3.08 -1.33 0.35 114.38 119.12 2wc4 h ARG 103 Ca 0.34 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 60.18 2wc4 h ARG 103 Cb -0.06 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 2wc4 h ARG 103 CO -0.10 0.82 -0.05 0.82 -1.07 0.00 0.00 179.97 180.40 2wc4 h ILE 104 N 0.66 0.83 -0.26 2.04 2.04 -1.39 -1.04 117.51 120.40 2wc4 h ILE 104 Ca 0.14 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 2wc4 h ILE 104 Cb 0.43 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2wc4 h ILE 104 CO 0.01 0.00 0.08 0.40 0.00 0.00 0.00 178.15 178.64 2wc4 h ILE 105 N -0.04 1.20 -0.42 -0.67 2.04 -0.94 0.16 117.51 118.84 2wc4 h ILE 105 Ca 0.06 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2wc4 h ILE 105 Cb 0.13 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2wc4 h ILE 105 CO -0.13 0.21 0.26 0.44 0.00 0.00 0.00 178.15 178.93 2wc4 h ASP 106 N 0.25 0.49 -0.41 1.72 3.32 -0.87 -1.58 116.42 119.34 2wc4 h ASP 106 Ca 0.08 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2wc4 h ASP 106 Cb 0.24 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2wc4 h ASP 106 CO -0.00 0.38 0.16 0.74 -1.72 0.00 0.00 179.24 178.80 2wc4 h THR 107 N 0.56 1.20 -0.57 0.35 2.02 -1.00 -0.79 112.91 114.68 2wc4 h THR 107 Ca 0.15 -0.62 0.08 0.00 0.77 0.00 0.00 66.41 66.79 2wc4 h THR 107 Cb -0.03 0.84 -0.07 0.00 -1.74 0.00 0.00 68.15 67.15 2wc4 h THR 107 CO -0.03 0.23 0.21 -0.07 0.37 0.00 0.00 175.52 176.22 2wc4 h LEU 108 N 0.52 0.21 -0.36 2.58 3.38 -0.78 -2.72 115.31 118.14 2wc4 h LEU 108 Ca 0.14 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 2wc4 h LEU 108 Cb 0.20 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2wc4 h LEU 108 CO -0.01 0.13 -0.12 -0.07 0.09 0.00 0.00 178.44 178.46 2wc4 h LEU 109 N 0.39 0.73 -2.35 1.67 3.38 -0.94 0.31 115.31 118.50 2wc4 h LEU 109 Ca 0.28 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2wc4 h LEU 109 Cb 0.33 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2wc4 h LEU 109 CO -0.29 0.95 0.00 1.05 0.09 0.00 0.00 178.44 180.24 2wc4 h GLU 110 N 0.50 0.00 -0.32 1.13 4.11 -1.01 -0.16 114.58 118.83 2wc4 h GLU 110 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 2wc4 h GLU 110 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2wc4 h GLU 110 CO 0.04 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.75 2wc4 n LYS 111 N -3.00 2.26 -2.38 1.06 5.02 -1.04 -4.98 118.16 115.10 2wc4 n LYS 111 Ca -0.02 -2.08 -0.06 0.00 -2.02 0.00 0.00 58.31 54.14 2wc4 n LYS 111 Cb 0.15 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 2wc4 n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wc4 n GLY 112 N 1.22 0.31 3.49 0.72 0.00 -0.07 -5.00 105.19 105.85 2wc4 n GLY 112 Ca 0.16 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 2wc4 n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wc4 s ILE 113 N -2.60 3.51 -0.30 -0.61 1.01 0.02 -4.91 121.20 117.33 2wc4 s ILE 113 Ca 0.06 -0.52 -0.23 0.00 0.00 0.00 0.00 60.65 59.96 2wc4 s ILE 113 Cb -0.03 -2.47 -0.00 0.00 0.01 0.00 0.00 42.46 39.97 2wc4 s ILE 113 CO 0.08 0.55 0.78 -0.89 0.00 0.00 0.00 174.94 175.45 2wc4 s THR 114 N -0.12 4.81 0.20 2.92 2.01 0.13 -4.15 115.64 121.44 2wc4 s THR 114 Ca 0.01 1.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.90 2wc4 s THR 114 Cb -0.13 -4.13 -0.08 0.00 0.01 0.00 0.00 72.50 68.17 2wc4 s THR 114 CO 0.03 -0.22 1.09 -2.16 -0.69 0.00 0.00 174.62 172.67 2wc4 s PRO 115 N 2.92 4.62 -0.22 4.92 0.04 -1.26 -1.13 135.00 144.89 2wc4 s PRO 115 Ca 0.32 1.72 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2wc4 s PRO 115 Cb -0.14 -3.26 0.05 0.00 0.04 0.00 0.00 34.50 31.19 2wc4 s PRO 115 CO 0.12 0.13 -0.11 -0.06 0.04 0.00 0.00 177.00 177.12 2wc4 s PHE 116 N -0.48 2.68 -0.27 0.56 0.40 -0.11 -4.24 117.98 116.51 2wc4 s PHE 116 Ca 0.48 -1.83 -0.11 0.00 -0.60 0.00 0.00 56.93 54.88 2wc4 s PHE 116 Cb -0.30 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.45 2wc4 s PHE 116 CO 0.36 -0.79 0.17 0.08 0.70 0.00 0.00 175.22 175.74 2wc4 s VAL 117 N 1.31 5.25 -0.37 -0.44 1.01 -0.63 -1.84 120.40 124.69 2wc4 s VAL 117 Ca -0.04 0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.84 2wc4 s VAL 117 Cb -0.17 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.74 2wc4 s VAL 117 CO -0.07 0.28 0.90 -0.89 0.00 0.00 0.00 175.10 175.32 2wc4 s THR 118 N 1.60 4.61 0.16 3.92 2.01 -0.21 -0.53 115.64 127.20 2wc4 s THR 118 Ca 0.07 1.16 -0.11 0.00 0.31 0.00 0.00 61.69 63.11 2wc4 s THR 118 Cb -0.15 -4.31 0.04 0.00 0.01 0.00 0.00 72.50 68.08 2wc4 s THR 118 CO 0.09 -0.52 1.62 0.40 -0.69 0.00 0.00 174.62 175.53 2wc4 h ILE 119 N 5.81 1.26 -3.36 1.82 2.04 -0.96 -2.05 117.51 122.06 2wc4 h ILE 119 Ca -0.23 -1.08 -0.54 0.00 1.00 0.00 0.00 64.86 64.01 2wc4 h ILE 119 Cb 1.08 0.90 -0.39 0.00 -0.74 0.00 0.00 36.82 37.66 2wc4 h ILE 119 CO 0.97 0.38 -0.77 -0.47 0.00 0.00 0.00 178.15 178.26 2wc4 s TYR 120 N -5.05 1.37 -0.39 1.37 5.04 -0.77 -4.39 117.35 114.53 2wc4 s TYR 120 Ca -0.12 -1.08 0.08 0.00 -2.44 0.00 0.00 57.07 53.51 2wc4 s TYR 120 Cb 0.12 -1.17 0.44 0.00 0.35 0.00 0.00 41.96 41.70 2wc4 s TYR 120 CO 0.83 -0.65 1.10 1.58 -1.34 0.00 0.00 175.55 177.07 2wc4 n HIS 121 N 4.95 2.86 0.00 4.97 -0.00 -1.26 -0.51 115.22 126.23 2wc4 n HIS 121 Ca -0.10 -2.87 0.00 0.00 0.46 0.00 0.00 57.72 55.21 2wc4 n HIS 121 Cb 0.46 -0.18 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 2wc4 n HIS 121 CO 0.00 0.00 0.00 0.91 0.46 0.00 0.00 176.34 177.71 2wc4 n TRP 122 N -0.46 0.00 -2.57 1.57 8.01 -1.26 -4.83 117.44 117.90 2wc4 n TRP 122 Ca 0.34 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 56.11 2wc4 n TRP 122 Cb 0.74 0.00 0.01 0.00 -2.01 0.00 0.00 31.31 30.05 2wc4 n TRP 122 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 2wc4 n ASP 123 N 0.00 6.70 -4.74 -0.99 5.75 -1.26 -4.69 116.55 117.31 2wc4 n ASP 123 Ca 0.00 -3.37 -0.42 0.00 -0.01 0.00 0.00 54.79 50.99 2wc4 n ASP 123 Cb 0.00 -1.31 -0.01 0.00 -1.03 0.00 0.00 41.12 38.77 2wc4 n ASP 123 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2wc4 n LEU 124 N 1.59 4.29 -4.65 -2.12 7.94 -1.26 -4.17 117.00 118.62 2wc4 n LEU 124 Ca 0.41 1.18 -0.47 0.00 -1.11 0.00 0.00 56.01 56.03 2wc4 n LEU 124 Cb 0.30 -1.57 -0.04 0.00 0.53 0.00 0.00 43.42 42.64 2wc4 n LEU 124 CO 0.69 0.02 1.08 -2.65 -1.11 0.00 0.00 177.39 175.42 2wc4 n PRO 125 N 1.40 1.93 -0.05 1.96 -0.02 -1.26 -0.59 135.00 138.37 2wc4 n PRO 125 Ca 0.06 0.69 0.06 0.00 -2.02 0.00 0.00 63.50 62.29 2wc4 n PRO 125 Cb 0.37 -2.40 0.43 0.00 -0.02 0.00 0.00 33.50 31.88 2wc4 n PRO 125 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wc4 h PHE 126 N 5.10 0.54 -0.43 6.00 3.57 -1.02 -1.49 116.94 129.22 2wc4 h PHE 126 Ca -0.45 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.12 2wc4 h PHE 126 Cb 1.28 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 2wc4 h PHE 126 CO 0.60 0.31 0.29 0.00 -2.23 0.00 0.00 178.31 177.28 2wc4 h ALA 127 N 1.71 1.96 0.03 2.41 0.00 -1.85 -0.42 119.26 123.10 2wc4 h ALA 127 Ca 0.20 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 2wc4 h ALA 127 Cb 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wc4 h ALA 127 CO -0.05 -0.03 -1.02 -0.07 0.00 0.00 0.00 179.25 178.08 2wc4 h LEU 128 N 0.35 0.15 -0.89 0.00 3.38 -1.52 -3.21 115.31 113.57 2wc4 h LEU 128 Ca 0.19 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 2wc4 h LEU 128 Cb 0.29 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2wc4 h LEU 128 CO -0.04 1.07 -0.36 -0.61 0.09 0.00 0.00 178.44 178.59 2wc4 h GLN 129 N 0.04 0.37 -0.01 1.13 5.75 -0.89 0.11 115.11 121.61 2wc4 h GLN 129 Ca -0.05 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 2wc4 h GLN 129 Cb 1.74 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 30.28 2wc4 h GLN 129 CO 0.15 0.69 0.02 -0.07 -2.65 0.00 0.00 178.83 176.96 2wc4 h LEU 130 N 0.32 0.00 -3.24 -2.39 3.38 -1.34 -0.18 115.31 111.87 2wc4 h LEU 130 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2wc4 h LEU 130 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2wc4 h LEU 130 CO 0.06 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.88 2wc4 n LYS 131 N -3.66 4.01 0.00 1.13 5.02 -0.46 -4.92 118.16 119.27 2wc4 n LYS 131 Ca -0.03 -2.96 0.00 0.00 -2.02 0.00 0.00 58.31 53.30 2wc4 n LYS 131 Cb 0.10 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 2wc4 n LYS 131 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wc4 n GLY 132 N 1.02 0.32 7.00 0.72 0.00 -0.08 -4.73 105.19 109.44 2wc4 n GLY 132 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2wc4 n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wc4 n GLY 133 N -1.58 2.96 0.04 -0.02 0.00 0.26 -1.52 105.19 105.32 2wc4 n GLY 133 Ca 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 45.98 2wc4 n GLY 133 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wc4 n TRP 134 N 14.00 0.22 0.40 1.61 7.02 -1.26 -1.70 117.44 137.73 2wc4 n TRP 134 Ca 0.00 0.09 0.13 0.00 -1.02 0.00 0.00 57.50 56.70 2wc4 n TRP 134 Cb 0.00 -0.65 0.33 0.00 -2.42 0.00 0.00 31.31 28.57 2wc4 n TRP 134 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wc4 h ALA 135 N 2.31 1.00 -2.74 6.99 0.00 -1.59 -3.34 119.26 121.89 2wc4 h ALA 135 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 2wc4 h ALA 135 Cb 0.20 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 17.85 2wc4 h ALA 135 CO 0.00 0.00 -0.21 1.21 0.00 0.00 0.00 179.25 180.25 2wc4 s ASN 136 N -5.35 6.31 0.63 0.00 3.84 -0.69 -4.87 114.94 114.81 2wc4 s ASN 136 Ca 0.08 0.36 0.31 0.00 0.21 0.00 0.00 52.86 53.81 2wc4 s ASN 136 Cb 0.09 -2.22 1.67 0.00 -0.55 0.00 0.00 41.25 40.23 2wc4 s ASN 136 CO 0.61 -0.17 2.00 0.03 -2.79 0.00 0.00 177.10 176.78 2wc4 h ARG 137 N 7.98 0.00 0.00 0.43 3.08 -1.87 -0.24 114.38 123.76 2wc4 h ARG 137 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2wc4 h ARG 137 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2wc4 h ARG 137 CO 0.67 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.96 2wc4 n GLU 138 N -3.37 0.13 0.27 0.04 1.02 -1.26 -2.43 120.64 115.04 2wc4 n GLU 138 Ca 0.02 0.37 0.13 0.00 -0.02 0.00 0.00 57.16 57.65 2wc4 n GLU 138 Cb 0.41 -1.75 0.77 0.00 -0.02 0.00 0.00 31.44 30.86 2wc4 n GLU 138 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2wc4 h ILE 139 N 0.00 0.61 -0.98 -3.67 2.10 -1.30 -0.89 117.51 113.38 2wc4 h ILE 139 Ca 0.00 -0.34 0.02 0.00 1.08 0.00 0.00 64.86 65.62 2wc4 h ILE 139 Cb 0.32 1.21 -0.05 0.00 -1.09 0.00 0.00 36.82 37.22 2wc4 h ILE 139 CO 0.00 0.08 0.65 0.00 -1.08 0.00 0.00 178.15 177.80 2wc4 h ALA 140 N 1.92 1.32 -0.21 0.18 0.00 -1.71 0.15 119.26 120.91 2wc4 h ALA 140 Ca -0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2wc4 h ALA 140 Cb 0.21 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2wc4 h ALA 140 CO 0.01 0.62 -0.07 -0.44 0.00 0.00 0.00 179.25 179.37 2wc4 h ASP 141 N 1.31 0.42 -0.69 0.00 3.32 -1.41 -1.03 116.42 118.34 2wc4 h ASP 141 Ca 0.37 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2wc4 h ASP 141 Cb -0.11 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.29 2wc4 h ASP 141 CO -0.09 0.72 0.44 -0.50 -1.72 0.00 0.00 179.24 178.09 2wc4 h TRP 142 N 0.13 0.87 -0.51 4.55 6.55 -0.94 -1.06 115.95 125.55 2wc4 h TRP 142 Ca 0.05 0.01 -0.12 0.00 0.95 0.00 0.00 58.89 59.79 2wc4 h TRP 142 Cb 0.54 -0.29 -0.02 0.00 -0.86 0.00 0.00 29.16 28.53 2wc4 h TRP 142 CO 0.06 0.56 -0.15 0.35 -1.05 0.00 0.00 178.44 178.21 2wc4 h PHE 143 N 0.93 1.10 -0.52 0.49 3.57 -0.68 -0.77 116.94 121.05 2wc4 h PHE 143 Ca 0.25 -0.24 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2wc4 h PHE 143 Cb -0.09 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.36 2wc4 h PHE 143 CO -0.02 1.04 0.34 0.00 -2.23 0.00 0.00 178.31 177.44 2wc4 h ALA 144 N 0.96 0.67 -0.13 2.41 0.00 -0.82 0.12 119.26 122.45 2wc4 h ALA 144 Ca 0.13 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 2wc4 h ALA 144 Cb 0.71 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2wc4 h ALA 144 CO 0.05 0.08 -0.59 0.93 0.00 0.00 0.00 179.25 179.72 2wc4 h GLU 145 N 0.68 0.44 -0.22 0.00 4.39 -0.87 -1.19 114.58 117.82 2wc4 h GLU 145 Ca 0.20 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 2wc4 h GLU 145 Cb -0.05 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2wc4 h GLU 145 CO -0.06 0.91 0.12 -0.92 -1.16 0.00 0.00 179.01 177.90 2wc4 h TYR 146 N 0.33 0.31 -0.58 4.33 3.20 -0.91 -2.46 116.97 121.19 2wc4 h TYR 146 Ca -0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.92 2wc4 h TYR 146 Cb 1.13 -0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.25 2wc4 h TYR 146 CO 0.04 0.28 0.28 0.77 -1.64 0.00 0.00 178.16 177.89 2wc4 h SER 147 N 0.25 0.39 -0.64 -2.11 0.02 -0.50 -2.24 113.55 108.71 2wc4 h SER 147 Ca 0.08 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 2wc4 h SER 147 Cb 0.07 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 2wc4 h SER 147 CO -0.01 0.26 0.37 -0.09 -1.14 0.00 0.00 176.83 176.22 2wc4 h ARG 148 N 0.54 0.68 -0.77 3.45 2.43 -1.04 0.10 114.38 119.78 2wc4 h ARG 148 Ca 0.26 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.43 2wc4 h ARG 148 Cb 0.20 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.55 2wc4 h ARG 148 CO -0.19 0.45 0.48 0.28 -1.51 0.00 0.00 179.97 179.47 2wc4 h VAL 149 N 0.70 1.08 -0.15 0.20 2.07 -0.94 -0.51 116.25 118.70 2wc4 h VAL 149 Ca 0.28 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2wc4 h VAL 149 Cb 0.12 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2wc4 h VAL 149 CO -0.15 0.17 -0.04 -0.07 0.02 0.00 0.00 177.57 177.50 2wc4 h LEU 150 N 0.92 0.29 -0.50 2.57 3.38 -0.75 -2.21 115.31 119.00 2wc4 h LEU 150 Ca 0.32 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.95 2wc4 h LEU 150 Cb 0.06 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2wc4 h LEU 150 CO -0.13 0.59 0.27 -0.26 0.09 0.00 0.00 178.44 179.01 2wc4 h PHE 151 N -0.02 0.51 -0.18 1.13 0.04 -0.65 0.24 116.94 118.01 2wc4 h PHE 151 Ca 0.04 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.73 2wc4 h PHE 151 Cb 0.47 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 2wc4 h PHE 151 CO 0.05 0.27 -0.31 0.93 -0.60 0.00 0.00 178.31 178.65 2wc4 h GLU 152 N 0.54 0.37 0.02 1.51 5.08 -1.11 0.11 114.58 121.09 2wc4 h GLU 152 Ca 0.21 -0.15 -0.29 0.00 -1.00 0.00 0.00 59.36 58.14 2wc4 h GLU 152 Cb 0.09 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 2wc4 h GLU 152 CO -0.13 0.64 -1.60 -0.91 -1.00 0.00 0.00 179.01 176.01 2wc4 h ASN 153 N 0.32 0.06 -0.00 1.42 2.35 -1.15 -3.42 115.58 115.17 2wc4 h ASN 153 Ca 0.04 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2wc4 h ASN 153 Cb 0.71 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.06 2wc4 h ASN 153 CO 0.05 1.10 -0.04 0.49 -1.65 0.00 0.00 177.43 177.39 2wc4 n PHE 154 N -3.16 0.00 1.21 1.19 3.72 0.82 -4.69 117.46 116.55 2wc4 n PHE 154 Ca -0.15 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.39 2wc4 n PHE 154 Cb 1.03 0.00 0.68 0.00 -0.94 0.00 0.00 39.48 40.26 2wc4 n PHE 154 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wc4 n GLY 155 N 0.99 -1.37 0.22 1.37 0.00 0.38 -0.12 105.19 106.67 2wc4 n GLY 155 Ca 0.00 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.00 2wc4 n GLY 155 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2wc4 h ASP 156 N 0.00 0.00 0.00 1.61 2.03 -1.84 -3.37 116.42 114.85 2wc4 h ASP 156 Ca 0.00 0.00 -0.04 0.00 -0.73 0.00 0.00 57.03 56.26 2wc4 h ASP 156 Cb 0.38 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.87 2wc4 h ASP 156 CO 0.00 0.22 -1.16 0.54 -1.03 0.00 0.00 179.24 177.81 2wc4 n ARG 157 N -3.38 2.67 -3.51 4.15 1.74 -0.69 -4.97 116.66 112.67 2wc4 n ARG 157 Ca 0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.71 2wc4 n ARG 157 Cb 0.43 -1.06 -0.09 0.00 -1.02 0.00 0.00 32.46 30.72 2wc4 n ARG 157 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2wc4 s VAL 158 N -2.05 5.26 -0.43 1.55 1.01 0.82 -4.95 120.40 121.61 2wc4 s VAL 158 Ca -0.02 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.42 2wc4 s VAL 158 Cb 0.01 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.84 2wc4 s VAL 158 CO 0.08 0.26 0.82 0.29 0.00 0.00 0.00 175.10 176.56 2wc4 n LYS 159 N 4.70 0.98 -3.84 2.72 4.76 -1.26 -4.35 118.16 121.87 2wc4 n LYS 159 Ca -0.11 -1.14 -0.28 0.00 -2.87 0.00 0.00 58.31 53.91 2wc4 n LYS 159 Cb 0.51 -1.08 -0.16 0.00 -1.84 0.00 0.00 35.03 32.45 2wc4 n LYS 159 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2wc4 s ASN 160 N -0.61 2.80 0.07 4.39 0.01 -1.26 -0.54 114.94 119.80 2wc4 s ASN 160 Ca 0.06 -0.69 0.05 0.00 -0.71 0.00 0.00 52.86 51.58 2wc4 s ASN 160 Cb 0.04 -0.80 -0.03 0.00 0.41 0.00 0.00 41.25 40.87 2wc4 s ASN 160 CO 0.05 -0.22 -0.15 0.26 -1.51 0.00 0.00 177.10 175.53 2wc4 s TRP 161 N 1.71 1.31 -0.09 2.20 0.52 -0.46 -1.60 118.94 122.53 2wc4 s TRP 161 Ca 0.00 -0.42 0.01 0.00 0.02 0.00 0.00 56.10 55.70 2wc4 s TRP 161 Cb -0.16 -0.74 0.02 0.00 -1.15 0.00 0.00 33.47 31.44 2wc4 s TRP 161 CO -0.07 0.07 -0.09 0.42 0.02 0.00 0.00 176.95 177.30 2wc4 s ILE 162 N -1.13 1.02 -0.00 2.03 1.01 0.31 -1.14 121.20 123.30 2wc4 s ILE 162 Ca 0.00 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.07 2wc4 s ILE 162 Cb -0.09 -1.00 -0.16 0.00 0.01 0.00 0.00 42.46 41.22 2wc4 s ILE 162 CO 0.02 0.35 1.16 0.71 0.00 0.00 0.00 174.94 177.18 2wc4 h THR 163 N 6.10 0.67 -3.85 2.92 1.35 -1.32 0.60 112.91 119.39 2wc4 h THR 163 Ca -0.31 -0.67 -0.43 0.00 -0.55 0.00 0.00 66.41 64.46 2wc4 h THR 163 Cb 1.15 1.00 -0.31 0.00 -1.73 0.00 0.00 68.15 68.26 2wc4 h THR 163 CO 0.43 0.12 -0.79 -0.76 -0.25 0.00 0.00 175.52 174.28 2wc4 s LEU 164 N -9.42 1.82 -0.38 3.87 1.43 -1.26 -1.84 118.68 112.90 2wc4 s LEU 164 Ca -0.14 -0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 52.55 2wc4 s LEU 164 Cb 0.02 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.68 2wc4 s LEU 164 CO 0.52 0.08 0.69 0.21 0.23 0.00 0.00 176.35 178.08 2wc4 s ASN 165 N 0.14 6.44 -1.03 2.29 2.47 0.33 -1.99 114.94 123.58 2wc4 s ASN 165 Ca -0.02 0.10 -0.06 0.00 0.42 0.00 0.00 52.86 53.30 2wc4 s ASN 165 Cb -0.08 -2.35 -0.06 0.00 -1.45 0.00 0.00 41.25 37.31 2wc4 s ASN 165 CO 0.00 -0.69 0.90 -0.62 -3.72 0.00 0.00 177.10 172.98 2wc4 n GLU 166 N 6.23 -2.14 0.28 0.43 1.02 0.26 -4.74 120.64 121.98 2wc4 n GLU 166 Ca 0.00 0.89 0.13 0.00 -0.02 0.00 0.00 57.16 58.16 2wc4 n GLU 166 Cb 0.48 -5.75 0.81 0.00 -0.02 0.00 0.00 31.44 26.96 2wc4 n GLU 166 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2wc4 h PRO 167 N -1.02 0.00 -0.82 3.49 0.13 -1.85 0.17 132.00 132.11 2wc4 h PRO 167 Ca -0.57 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.59 2wc4 h PRO 167 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 2wc4 h PRO 167 CO 0.43 0.06 0.52 2.35 -0.23 0.00 0.00 178.00 181.14 2wc4 h TRP 168 N 0.00 0.98 -0.12 1.56 7.01 -1.92 -0.70 115.95 122.75 2wc4 h TRP 168 Ca -0.00 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 2wc4 h TRP 168 Cb 0.16 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 26.90 2wc4 h TRP 168 CO 0.00 0.55 -0.04 0.28 -2.79 0.00 0.00 178.44 176.44 2wc4 h VAL 169 N 1.01 1.30 -0.49 2.65 2.07 -1.02 0.10 116.25 121.87 2wc4 h VAL 169 Ca 0.33 -1.00 0.10 0.00 0.82 0.00 0.00 66.70 66.95 2wc4 h VAL 169 Cb 0.04 1.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.44 2wc4 h VAL 169 CO -0.13 0.29 -0.02 0.58 0.02 0.00 0.00 177.57 178.31 2wc4 h VAL 170 N -0.09 0.60 0.18 2.57 2.07 -1.27 -0.49 116.25 119.81 2wc4 h VAL 170 Ca 0.03 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2wc4 h VAL 170 Cb 0.47 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2wc4 h VAL 170 CO 0.01 0.02 -0.09 0.00 0.02 0.00 0.00 177.57 177.54 2wc4 h ALA 171 N 1.45 -0.24 0.03 1.67 0.00 -1.00 -3.02 119.26 118.15 2wc4 h ALA 171 Ca 0.25 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2wc4 h ALA 171 Cb 0.37 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2wc4 h ALA 171 CO -0.43 -0.27 -0.31 0.82 0.00 0.00 0.00 179.25 179.06 2wc4 h ILE 172 N -0.97 1.63 -0.06 0.00 1.08 -0.76 -0.09 117.51 118.35 2wc4 h ILE 172 Ca -0.02 -2.36 -0.14 0.00 -0.39 0.00 0.00 64.86 61.94 2wc4 h ILE 172 Cb 0.44 3.22 -0.01 0.00 -3.07 0.00 0.00 36.82 37.40 2wc4 h ILE 172 CO 0.04 0.60 -0.59 0.58 -0.69 0.00 0.00 178.15 178.09 2wc4 h VAL 173 N -0.88 1.39 0.00 1.67 2.07 -1.21 0.72 116.25 120.01 2wc4 h VAL 173 Ca -0.07 -1.97 -0.15 0.00 0.82 0.00 0.00 66.70 65.33 2wc4 h VAL 173 Cb 1.16 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 2wc4 h VAL 173 CO 0.00 0.58 -0.75 1.23 0.02 0.00 0.00 177.57 178.65 2wc4 h GLY 174 N 1.52 0.00 0.00 2.17 0.00 -1.28 -1.88 103.07 103.61 2wc4 h GLY 174 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wc4 h GLY 174 CO 0.09 0.00 -0.10 1.42 0.00 0.00 0.00 176.54 177.95 2wc4 n HIS 175 N -3.25 0.00 -0.07 5.60 8.25 -0.05 -1.45 115.22 124.25 2wc4 n HIS 175 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 2wc4 n HIS 175 Cb 0.82 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.88 2wc4 n HIS 175 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2wc4 n LEU 176 N -0.74 1.29 0.11 2.41 7.94 0.05 -0.82 117.00 127.24 2wc4 n LEU 176 Ca 0.00 0.13 0.03 0.00 -1.11 0.00 0.00 56.01 55.06 2wc4 n LEU 176 Cb 0.00 -0.41 -0.00 0.00 0.53 0.00 0.00 43.42 43.53 2wc4 n LEU 176 CO 0.00 0.36 0.22 1.88 -1.11 0.00 0.00 177.39 178.74 2wc4 h TYR 177 N -0.42 0.00 -0.43 1.96 0.99 -1.16 -3.39 116.97 114.53 2wc4 h TYR 177 Ca -0.34 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.20 2wc4 h TYR 177 Cb 1.33 0.00 -0.07 0.00 1.00 0.00 0.00 36.73 38.99 2wc4 h TYR 177 CO -0.04 0.47 -0.17 0.41 -0.00 0.00 0.00 178.16 178.84 2wc4 n GLY 178 N 1.27 1.05 0.10 3.88 0.00 -0.73 -4.87 105.19 105.88 2wc4 n GLY 178 Ca -0.02 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.58 2wc4 n GLY 178 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wc4 h VAL 179 N 0.00 0.38 -2.18 1.61 2.07 -1.65 -3.41 116.25 113.08 2wc4 h VAL 179 Ca -0.18 -1.76 -0.56 0.00 0.82 0.00 0.00 66.70 65.02 2wc4 h VAL 179 Cb 0.67 1.91 -0.09 0.00 -1.52 0.00 0.00 31.29 32.26 2wc4 h VAL 179 CO 0.27 0.22 -0.64 -1.00 0.02 0.00 0.00 177.57 176.44 2wc4 s HIS 180 N -3.03 2.69 0.41 1.57 3.76 -1.05 -4.70 115.29 114.93 2wc4 s HIS 180 Ca -0.02 -0.24 -0.26 0.00 -0.15 0.00 0.00 55.06 54.39 2wc4 s HIS 180 Cb 0.09 -1.23 -0.10 0.00 1.11 0.00 0.00 32.58 32.45 2wc4 s HIS 180 CO 0.80 0.60 1.26 0.00 -0.85 0.00 0.00 174.74 176.55 2wc4 n ALA 181 N -0.91 1.22 0.81 -1.40 0.00 -1.26 -0.42 120.51 118.54 2wc4 n ALA 181 Ca -0.06 0.28 0.05 0.00 0.00 0.00 0.00 53.44 53.71 2wc4 n ALA 181 Cb 0.59 -2.25 0.15 0.00 0.00 0.00 0.00 19.45 17.94 2wc4 n ALA 181 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wc4 n PRO 182 N 0.14 1.93 -2.46 0.00 -0.04 -1.24 -4.58 135.00 128.75 2wc4 n PRO 182 Ca 0.06 -1.23 -0.01 0.00 -0.04 0.00 0.00 63.50 62.29 2wc4 n PRO 182 Cb 0.39 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2wc4 n PRO 182 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wc4 n GLY 183 N 0.90 0.86 3.84 0.55 0.00 0.44 -5.04 105.19 106.74 2wc4 n GLY 183 Ca 0.11 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 2wc4 n GLY 183 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wc4 s MET 184 N -4.91 3.06 -0.53 1.61 -1.94 -0.53 -4.75 119.30 111.32 2wc4 s MET 184 Ca 0.01 -0.81 0.04 0.00 -1.71 0.00 0.00 55.69 53.23 2wc4 s MET 184 Cb -0.01 -2.73 0.17 0.00 2.01 0.00 0.00 34.83 34.27 2wc4 s MET 184 CO 0.01 0.49 0.39 1.03 -0.01 0.00 0.00 175.02 176.93 2wc4 s ARG 185 N -3.22 1.56 -0.22 2.03 0.52 -1.20 -1.78 118.95 116.65 2wc4 s ARG 185 Ca 0.32 -2.59 -0.03 0.00 -0.52 0.00 0.00 55.73 52.91 2wc4 s ARG 185 Cb -0.10 -2.31 0.11 0.00 0.52 0.00 0.00 34.95 33.17 2wc4 s ARG 185 CO 0.25 -1.32 0.31 0.34 0.02 0.00 0.00 175.30 174.90 2wc4 s ASP 186 N -0.51 0.68 0.39 0.23 -1.08 0.00 -4.94 116.67 111.44 2wc4 s ASP 186 Ca 0.28 0.10 0.17 0.00 -0.52 0.00 0.00 52.55 52.58 2wc4 s ASP 186 Cb -0.03 0.81 0.81 0.00 -1.46 0.00 0.00 42.92 43.05 2wc4 s ASP 186 CO -0.16 -0.30 1.83 -0.29 0.52 0.00 0.00 175.17 176.76 2wc4 h ILE 187 N 6.24 1.06 -0.16 4.11 2.10 -1.91 0.08 117.51 129.02 2wc4 h ILE 187 Ca -0.18 -1.28 -0.15 0.00 1.08 0.00 0.00 64.86 64.33 2wc4 h ILE 187 Cb 1.15 1.73 0.00 0.00 -1.09 0.00 0.00 36.82 38.61 2wc4 h ILE 187 CO 0.26 0.34 -0.49 1.88 -1.08 0.00 0.00 178.15 179.06 2wc4 h TYR 188 N 0.00 0.80 -0.90 2.19 -1.99 -1.94 -2.35 116.97 112.79 2wc4 h TYR 188 Ca -0.00 -0.32 -0.02 0.00 2.00 0.00 0.00 58.73 60.38 2wc4 h TYR 188 Cb 0.70 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 39.25 2wc4 h TYR 188 CO 0.00 1.10 0.49 0.28 -0.00 0.00 0.00 178.16 180.03 2wc4 h VAL 189 N 0.28 1.26 -0.72 -2.88 2.07 -1.82 -2.21 116.25 112.23 2wc4 h VAL 189 Ca -0.02 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2wc4 h VAL 189 Cb 1.11 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2wc4 h VAL 189 CO 0.11 0.29 0.43 0.00 0.02 0.00 0.00 177.57 178.42 2wc4 h ALA 190 N 1.27 0.92 0.00 1.67 0.00 -0.88 0.85 119.26 123.09 2wc4 h ALA 190 Ca 0.31 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2wc4 h ALA 190 Cb 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2wc4 h ALA 190 CO -0.05 0.41 -0.61 0.74 0.00 0.00 0.00 179.25 179.73 2wc4 h PHE 191 N 0.99 0.00 -0.25 0.00 0.04 -1.29 -1.65 116.94 114.77 2wc4 h PHE 191 Ca 0.26 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.94 2wc4 h PHE 191 Cb -0.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 2wc4 h PHE 191 CO -0.01 0.61 -0.23 0.00 -0.60 0.00 0.00 178.31 178.09 2wc4 h ARG 192 N 0.00 0.47 -0.54 1.51 3.08 -1.04 -2.13 114.38 115.74 2wc4 h ARG 192 Ca -0.01 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 2wc4 h ARG 192 Cb 1.43 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.42 2wc4 h ARG 192 CO 0.08 0.67 0.10 0.00 -1.07 0.00 0.00 179.97 179.75 2wc4 h ALA 193 N 1.34 0.72 -0.52 0.04 0.00 -0.42 -0.01 119.26 120.41 2wc4 h ALA 193 Ca 0.07 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.84 2wc4 h ALA 193 Cb 0.63 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.13 2wc4 h ALA 193 CO 0.04 0.45 0.02 0.28 0.00 0.00 0.00 179.25 180.04 2wc4 h VAL 194 N 0.78 0.61 -0.20 0.00 2.07 -1.08 0.13 116.25 118.55 2wc4 h VAL 194 Ca 0.17 -0.05 -0.21 0.00 0.82 0.00 0.00 66.70 67.43 2wc4 h VAL 194 Cb 0.39 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2wc4 h VAL 194 CO 0.01 0.03 -0.70 -0.74 0.02 0.00 0.00 177.57 176.19 2wc4 h HIS 195 N 0.14 1.05 -0.13 1.57 6.17 -1.10 -2.21 115.15 120.64 2wc4 h HIS 195 Ca 0.27 -0.43 -0.09 0.00 0.71 0.00 0.00 60.37 60.82 2wc4 h HIS 195 Cb 0.40 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 30.15 2wc4 h HIS 195 CO -0.31 1.26 -0.34 -0.91 0.71 0.00 0.00 177.93 178.34 2wc4 h ASN 196 N 0.57 0.26 -0.14 3.26 2.35 -0.62 -1.14 115.58 120.12 2wc4 h ASN 196 Ca -0.03 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.64 2wc4 h ASN 196 Cb 1.31 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.60 2wc4 h ASN 196 CO 0.15 0.59 0.04 -0.07 -1.65 0.00 0.00 177.43 176.48 2wc4 h LEU 197 N 0.22 0.03 -0.10 1.61 3.38 -0.53 0.15 115.31 120.07 2wc4 h LEU 197 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wc4 h LEU 197 Cb 0.72 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2wc4 h LEU 197 CO 0.05 0.04 0.06 -0.07 0.09 0.00 0.00 178.44 178.61 2wc4 h LEU 198 N 0.10 0.11 -0.52 1.67 3.38 -1.14 -0.81 115.31 118.09 2wc4 h LEU 198 Ca 0.06 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2wc4 h LEU 198 Cb 0.05 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 2wc4 h LEU 198 CO -0.07 0.08 0.20 0.03 0.09 0.00 0.00 178.44 178.77 2wc4 h ARG 199 N 0.13 0.38 -0.10 1.13 3.08 -1.04 -1.24 114.38 116.72 2wc4 h ARG 199 Ca 0.04 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2wc4 h ARG 199 Cb -0.01 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 2wc4 h ARG 199 CO -0.01 0.25 0.04 0.00 -1.07 0.00 0.00 179.97 179.18 2wc4 h ALA 200 N 1.34 0.13 -0.53 0.04 0.00 -0.50 -1.75 119.26 117.99 2wc4 h ALA 200 Ca 0.25 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.19 2wc4 h ALA 200 Cb 0.26 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 2wc4 h ALA 200 CO -0.24 -0.30 -0.17 1.25 0.00 0.00 0.00 179.25 179.79 2wc4 h HIS 201 N 0.02 -0.39 -0.35 0.00 -0.00 -0.98 -0.01 115.15 113.44 2wc4 h HIS 201 Ca 0.03 0.05 -0.13 0.00 -0.00 0.00 0.00 60.37 60.32 2wc4 h HIS 201 Cb 0.14 0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.79 2wc4 h HIS 201 CO -0.02 -0.26 -0.31 0.00 -0.00 0.00 0.00 177.93 177.33 2wc4 h ALA 202 N 1.44 0.80 -0.70 5.26 0.00 -1.02 -0.60 119.26 124.43 2wc4 h ALA 202 Ca 0.25 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2wc4 h ALA 202 Cb 0.43 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2wc4 h ALA 202 CO -0.57 0.65 0.25 -0.09 0.00 0.00 0.00 179.25 179.48 2wc4 h ARG 203 N 0.64 1.06 -0.58 0.00 9.65 -0.96 -0.86 114.38 123.33 2wc4 h ARG 203 Ca 0.07 -0.21 -0.10 0.00 -1.10 0.00 0.00 59.98 58.64 2wc4 h ARG 203 Cb 0.84 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 2wc4 h ARG 203 CO 0.07 0.90 -0.02 0.00 2.80 0.00 0.00 179.97 183.72 2wc4 h ALA 204 N 1.11 0.86 -0.69 2.80 0.00 -0.50 -2.03 119.26 120.81 2wc4 h ALA 204 Ca 0.23 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2wc4 h ALA 204 Cb 0.26 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2wc4 h ALA 204 CO -0.01 0.66 0.29 0.28 0.00 0.00 0.00 179.25 180.47 2wc4 h VAL 205 N 0.94 1.24 -0.50 0.00 2.07 -0.68 0.09 116.25 119.41 2wc4 h VAL 205 Ca 0.16 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.99 2wc4 h VAL 205 Cb 0.57 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 2wc4 h VAL 205 CO 0.03 0.30 0.26 0.50 0.02 0.00 0.00 177.57 178.68 2wc4 h LYS 206 N 0.98 0.50 -0.38 1.57 3.64 -1.03 -1.40 116.57 120.45 2wc4 h LYS 206 Ca 0.23 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2wc4 h LYS 206 Cb 0.19 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 2wc4 h LYS 206 CO -0.02 0.33 -0.01 0.28 -2.27 0.00 0.00 179.45 177.77 2wc4 h VAL 207 N 0.52 1.21 -0.79 2.00 2.07 -1.00 -2.64 116.25 117.63 2wc4 h VAL 207 Ca 0.21 -0.87 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2wc4 h VAL 207 Cb 0.10 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2wc4 h VAL 207 CO -0.14 0.30 0.38 0.15 0.02 0.00 0.00 177.57 178.28 2wc4 h PHE 208 N 0.57 1.12 0.00 1.57 3.57 -0.04 -2.39 116.94 121.34 2wc4 h PHE 208 Ca 0.12 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2wc4 h PHE 208 Cb 0.37 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 2wc4 h PHE 208 CO 0.02 0.81 -0.16 0.00 -2.23 0.00 0.00 178.31 176.75 2wc4 h ARG 209 N 1.12 0.00 0.00 1.11 2.47 -0.91 0.79 114.38 118.96 2wc4 h ARG 209 Ca 0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 2wc4 h ARG 209 Cb 0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2wc4 h ARG 209 CO -0.04 0.16 -0.26 0.93 0.56 0.00 0.00 179.97 181.32 2wc4 h GLU 210 N 0.00 0.00 0.00 0.04 5.08 -1.43 -3.42 114.58 114.85 2wc4 h GLU 210 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2wc4 h GLU 210 Cb 0.53 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 2wc4 h GLU 210 CO 0.02 0.00 -1.40 2.41 -1.00 0.00 0.00 179.01 179.04 2wc4 n THR 211 N -2.85 0.40 -3.70 1.13 -1.04 -0.80 -4.87 114.28 102.55 2wc4 n THR 211 Ca 0.03 -0.12 -0.35 0.00 -2.04 0.00 0.00 64.05 61.58 2wc4 n THR 211 Cb 0.52 -1.35 -0.08 0.00 -1.82 0.00 0.00 70.33 67.59 2wc4 n THR 211 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wc4 s VAL 212 N -2.13 3.97 0.39 12.58 1.01 0.21 -4.93 120.40 131.49 2wc4 s VAL 212 Ca -0.10 -3.72 0.17 0.00 0.00 0.00 0.00 61.98 58.33 2wc4 s VAL 212 Cb 0.03 -3.51 0.17 0.00 0.00 0.00 0.00 36.38 33.07 2wc4 s VAL 212 CO 0.14 -1.02 1.92 0.11 0.00 0.00 0.00 175.10 176.25 2wc4 h LYS 213 N 6.15 0.00 -0.47 2.72 1.79 -1.82 -2.60 116.57 122.34 2wc4 h LYS 213 Ca 0.11 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.42 2wc4 h LYS 213 Cb 0.84 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.39 2wc4 h LYS 213 CO 0.80 0.26 0.09 -0.40 -1.08 0.00 0.00 179.45 179.12 2wc4 n ASP 214 N -4.02 3.54 -4.93 0.86 5.75 -1.26 -5.03 116.55 111.46 2wc4 n ASP 214 Ca -0.02 -3.41 -0.19 0.00 -0.01 0.00 0.00 54.79 51.16 2wc4 n ASP 214 Cb 0.33 -0.65 -0.01 0.00 -1.03 0.00 0.00 41.12 39.75 2wc4 n ASP 214 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wc4 s GLY 215 N -1.92 2.01 -0.00 6.12 0.00 -0.98 -4.98 107.32 107.57 2wc4 s GLY 215 Ca 0.47 -1.77 0.08 0.00 0.00 0.00 0.00 44.72 43.51 2wc4 s GLY 215 CO 0.07 -1.59 -0.25 0.54 0.00 0.00 0.00 173.10 171.86 2wc4 s LYS 216 N -4.20 1.96 0.02 2.90 1.02 0.30 -5.02 119.74 116.72 2wc4 s LYS 216 Ca 0.50 -0.94 0.02 0.00 0.02 0.00 0.00 55.97 55.58 2wc4 s LYS 216 Cb -0.06 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 35.29 2wc4 s LYS 216 CO 0.30 0.53 -0.08 -1.50 -0.92 0.00 0.00 175.35 173.68 2wc4 s ILE 217 N -0.64 0.60 0.00 2.17 2.07 -1.26 -1.35 121.20 122.79 2wc4 s ILE 217 Ca 0.10 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 58.64 2wc4 s ILE 217 Cb -0.10 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 41.92 2wc4 s ILE 217 CO -0.00 -0.09 0.00 0.61 -1.91 0.00 0.00 174.94 173.55 2wc4 n GLY 218 N 2.19 3.56 3.27 1.50 0.00 -0.29 -1.19 105.19 114.23 2wc4 n GLY 218 Ca -0.18 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 2wc4 n GLY 218 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wc4 s ILE 219 N -2.24 0.05 -0.06 -0.61 2.07 -1.25 -0.91 121.20 118.25 2wc4 s ILE 219 Ca 0.00 -0.38 0.05 0.00 -1.41 0.00 0.00 60.65 58.91 2wc4 s ILE 219 Cb 0.00 -0.64 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 2wc4 s ILE 219 CO 0.00 -0.21 -0.21 -0.69 -1.91 0.00 0.00 174.94 171.93 2wc4 s VAL 220 N -1.15 2.47 -0.00 4.00 1.01 -0.84 -0.67 120.40 125.21 2wc4 s VAL 220 Ca -0.12 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.00 2wc4 s VAL 220 Cb -0.04 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 2wc4 s VAL 220 CO 0.04 0.57 -0.21 -0.36 0.00 0.00 0.00 175.10 175.15 2wc4 s PHE 221 N -0.32 1.83 0.59 5.22 0.08 -0.12 -0.57 117.98 124.69 2wc4 s PHE 221 Ca 0.02 -0.35 -0.16 0.00 0.12 0.00 0.00 56.93 56.55 2wc4 s PHE 221 Cb -0.13 -1.16 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 2wc4 s PHE 221 CO 0.02 -0.00 1.08 0.54 -0.10 0.00 0.00 175.22 176.76 2wc4 s ASN 222 N -0.63 5.66 -0.13 1.36 4.22 -1.26 -0.65 114.94 123.51 2wc4 s ASN 222 Ca 0.08 1.91 -0.16 0.00 -2.14 0.00 0.00 52.86 52.55 2wc4 s ASN 222 Cb -0.08 -2.55 0.04 0.00 1.28 0.00 0.00 41.25 39.95 2wc4 s ASN 222 CO -0.00 -1.25 0.44 0.20 -2.04 0.00 0.00 177.10 174.44 2wc4 s ASN 223 N -2.55 -0.43 0.20 3.54 0.01 -0.97 -4.05 114.94 110.69 2wc4 s ASN 223 Ca 0.66 0.73 0.10 0.00 -0.71 0.00 0.00 52.86 53.64 2wc4 s ASN 223 Cb -0.18 0.77 -0.04 0.00 0.41 0.00 0.00 41.25 42.21 2wc4 s ASN 223 CO 0.35 -0.24 -0.20 -0.83 -1.51 0.00 0.00 177.10 174.67 2wc4 s GLY 224 N -0.16 1.59 -0.62 0.66 0.00 -1.26 -4.22 107.32 103.31 2wc4 s GLY 224 Ca -0.03 -1.63 -0.17 0.00 0.00 0.00 0.00 44.72 42.88 2wc4 s GLY 224 CO 0.02 -1.69 0.67 -0.47 0.00 0.00 0.00 173.10 171.64 2wc4 s TYR 225 N -2.12 3.16 -0.04 1.90 5.04 -0.92 -4.96 117.35 119.40 2wc4 s TYR 225 Ca 0.21 -1.20 -0.21 0.00 -2.44 0.00 0.00 57.07 53.43 2wc4 s TYR 225 Cb -0.06 -3.95 -0.05 0.00 0.35 0.00 0.00 41.96 38.26 2wc4 s TYR 225 CO 0.09 -1.19 0.62 -0.06 -1.34 0.00 0.00 175.55 173.67 2wc4 s PHE 226 N 2.09 3.62 0.09 4.97 0.08 -1.26 -0.52 117.98 127.04 2wc4 s PHE 226 Ca 0.11 1.18 0.07 0.00 0.12 0.00 0.00 56.93 58.40 2wc4 s PHE 226 Cb -0.23 -2.68 -0.03 0.00 -0.57 0.00 0.00 43.02 39.50 2wc4 s PHE 226 CO 0.03 0.22 -0.18 -1.21 -0.10 0.00 0.00 175.22 173.98 2wc4 s GLU 227 N 0.31 0.99 0.21 0.44 2.02 -0.49 -4.96 118.70 117.22 2wc4 s GLU 227 Ca 0.33 -1.07 -0.30 0.00 0.02 0.00 0.00 54.97 53.95 2wc4 s GLU 227 Cb -0.18 -1.15 -0.08 0.00 0.10 0.00 0.00 34.13 32.82 2wc4 s GLU 227 CO 0.17 0.26 0.94 -1.25 0.02 0.00 0.00 175.26 175.40 2wc4 s PRO 228 N -1.83 4.82 0.44 0.39 0.05 -1.26 -0.87 135.00 136.74 2wc4 s PRO 228 Ca 0.03 1.48 0.23 0.00 0.05 0.00 0.00 61.00 62.79 2wc4 s PRO 228 Cb -0.10 -3.30 0.92 0.00 0.05 0.00 0.00 34.50 32.07 2wc4 s PRO 228 CO 0.03 0.45 1.83 0.00 0.05 0.00 0.00 177.00 179.36 2wc4 h ALA 229 N 4.48 1.04 -3.79 8.56 0.00 -1.33 -3.45 119.26 124.77 2wc4 h ALA 229 Ca -0.45 -0.22 -0.23 0.00 0.00 0.00 0.00 54.91 54.02 2wc4 h ALA 229 Cb 1.20 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 2wc4 h ALA 229 CO 0.69 0.30 -0.09 -1.13 0.00 0.00 0.00 179.25 179.02 2wc4 n SER 230 N -3.43 -1.36 -0.61 0.00 3.41 -1.26 -5.04 113.62 105.33 2wc4 n SER 230 Ca -0.00 -2.71 0.13 0.00 -0.26 0.00 0.00 58.87 56.04 2wc4 n SER 230 Cb 0.43 2.49 0.41 0.00 -0.26 0.00 0.00 64.21 67.27 2wc4 n SER 230 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2wc4 n GLU 231 N -0.53 1.85 -1.53 4.33 4.07 -1.26 -4.50 120.64 123.06 2wc4 n GLU 231 Ca -0.00 -1.23 -0.47 0.00 -0.06 0.00 0.00 57.16 55.40 2wc4 n GLU 231 Cb 0.54 -1.47 -0.03 0.00 -0.06 0.00 0.00 31.44 30.42 2wc4 n GLU 231 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2wc4 n LYS 232 N 0.50 0.91 -0.27 5.31 4.01 -1.26 -4.81 118.16 122.54 2wc4 n LYS 232 Ca 0.18 0.32 0.00 0.00 -0.51 0.00 0.00 58.31 58.30 2wc4 n LYS 232 Cb 0.42 -1.61 0.21 0.00 -0.51 0.00 0.00 35.03 33.54 2wc4 n LYS 232 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 2wc4 h GLU 233 N 1.97 1.07 0.00 1.97 9.09 -2.00 -2.24 114.58 124.45 2wc4 h GLU 233 Ca -0.37 -0.06 -0.07 0.00 0.05 0.00 0.00 59.36 58.90 2wc4 h GLU 233 Cb 1.37 -0.24 -0.01 0.00 -1.65 0.00 0.00 28.75 28.22 2wc4 h GLU 233 CO 0.61 0.71 -0.35 1.05 0.05 0.00 0.00 179.01 181.08 2wc4 h GLU 234 N 1.10 0.00 -0.19 1.06 9.09 -1.97 0.39 114.58 124.07 2wc4 h GLU 234 Ca 0.32 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.53 2wc4 h GLU 234 Cb -0.08 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.03 2wc4 h GLU 234 CO -0.08 0.35 -0.63 -0.44 0.05 0.00 0.00 179.01 178.27 2wc4 h ASP 235 N 0.00 0.87 -0.41 3.06 3.32 -1.73 0.39 116.42 121.93 2wc4 h ASP 235 Ca -0.00 -0.60 -0.04 0.00 0.02 0.00 0.00 57.03 56.41 2wc4 h ASP 235 Cb 0.64 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 2wc4 h ASP 235 CO 0.05 1.32 0.13 0.40 -1.72 0.00 0.00 179.24 179.42 2wc4 h ILE 236 N 0.48 1.20 -0.36 0.35 2.04 -1.13 -1.81 117.51 118.28 2wc4 h ILE 236 Ca -0.03 -0.70 -0.14 0.00 1.00 0.00 0.00 64.86 64.99 2wc4 h ILE 236 Cb 1.25 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2wc4 h ILE 236 CO 0.13 0.26 -0.34 -0.09 0.00 0.00 0.00 178.15 178.12 2wc4 h ARG 237 N 0.69 0.81 -0.97 2.37 2.43 -0.82 -2.30 114.38 116.59 2wc4 h ARG 237 Ca 0.16 -0.39 0.04 0.00 -0.81 0.00 0.00 59.98 58.97 2wc4 h ARG 237 Cb 0.23 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 2wc4 h ARG 237 CO -0.01 1.03 0.63 0.00 -1.51 0.00 0.00 179.97 180.11 2wc4 h ALA 238 N 0.94 1.29 -0.37 2.80 0.00 -0.20 -1.07 119.26 122.65 2wc4 h ALA 238 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2wc4 h ALA 238 Cb 0.89 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2wc4 h ALA 238 CO 0.08 0.50 0.15 0.28 0.00 0.00 0.00 179.25 180.26 2wc4 h VAL 239 N 1.21 1.19 -0.67 0.00 2.07 -1.18 0.57 116.25 119.45 2wc4 h VAL 239 Ca 0.39 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.38 2wc4 h VAL 239 Cb 0.03 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 2wc4 h VAL 239 CO -0.13 0.21 0.38 0.03 0.02 0.00 0.00 177.57 178.08 2wc4 h ARG 240 N 0.46 0.70 -0.18 1.57 3.08 -0.81 0.95 114.38 120.15 2wc4 h ARG 240 Ca 0.13 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 2wc4 h ARG 240 Cb 0.18 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 2wc4 h ARG 240 CO -0.01 0.46 0.03 0.35 -1.07 0.00 0.00 179.97 179.73 2wc4 h PHE 241 N 0.72 0.32 -0.61 3.04 3.57 -0.95 0.98 116.94 124.01 2wc4 h PHE 241 Ca 0.29 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.81 2wc4 h PHE 241 Cb 0.14 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 2wc4 h PHE 241 CO -0.07 0.45 0.31 0.52 -2.23 0.00 0.00 178.31 177.29 2wc4 h MET 242 N 0.09 0.56 -0.51 1.11 2.86 -0.47 0.03 114.93 118.61 2wc4 h MET 242 Ca 0.05 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2wc4 h MET 242 Cb 0.31 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2wc4 h MET 242 CO 0.00 0.37 0.30 1.25 1.06 0.00 0.00 176.91 179.89 2wc4 h HIS 243 N 0.58 0.67 -0.07 -0.22 -0.00 -0.62 0.68 115.15 116.17 2wc4 h HIS 243 Ca 0.28 -0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.52 2wc4 h HIS 243 Cb 0.21 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 2wc4 h HIS 243 CO -0.10 0.47 -0.50 1.96 -0.00 0.00 0.00 177.93 179.76 2wc4 h GLN 244 N 0.68 0.17 0.06 5.26 4.20 0.06 -2.47 115.11 123.07 2wc4 h GLN 244 Ca 0.18 -0.10 -0.34 0.00 0.06 0.00 0.00 58.65 58.45 2wc4 h GLN 244 Cb 0.00 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 2wc4 h GLN 244 CO -0.03 0.64 -1.90 0.34 -0.67 0.00 0.00 178.83 177.21 2wc4 n PHE 245 N -3.95 0.90 0.56 2.96 7.35 -0.08 -2.01 117.46 123.19 2wc4 n PHE 245 Ca -0.02 0.26 0.11 0.00 -0.76 0.00 0.00 57.45 57.04 2wc4 n PHE 245 Cb 0.54 -1.11 0.02 0.00 0.35 0.00 0.00 39.48 39.28 2wc4 n PHE 245 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2wc4 n ASN 246 N -3.81 0.61 -2.93 -2.13 5.15 0.22 -4.67 115.26 107.71 2wc4 n ASN 246 Ca -0.36 -0.20 -0.08 0.00 -0.60 0.00 0.00 54.58 53.33 2wc4 n ASN 246 Cb 0.92 0.80 0.00 0.00 -0.53 0.00 0.00 39.78 40.97 2wc4 n ASN 246 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2wc4 n ASN 247 N -1.97 1.38 -0.16 1.20 3.02 -0.93 -4.51 115.26 113.29 2wc4 n ASN 247 Ca 0.02 -1.59 0.28 0.00 -0.03 0.00 0.00 54.58 53.26 2wc4 n ASN 247 Cb 0.44 -0.04 0.72 0.00 -0.61 0.00 0.00 39.78 40.29 2wc4 n ASN 247 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2wc4 h TYR 248 N 0.44 0.00 -0.21 3.10 -0.00 -1.79 -2.96 116.97 115.55 2wc4 h TYR 248 Ca -0.11 0.00 0.05 0.00 0.00 0.00 0.00 58.73 58.67 2wc4 h TYR 248 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.13 2wc4 h TYR 248 CO 0.00 0.00 0.15 -1.35 -0.00 0.00 0.00 178.16 176.96 2wc4 h PRO 249 N 0.00 0.06 -0.85 0.10 0.11 -1.77 0.14 132.00 129.79 2wc4 h PRO 249 Ca 0.41 -0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.72 2wc4 h PRO 249 Cb 1.70 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.74 2wc4 h PRO 249 CO -0.00 0.04 0.57 1.25 -0.21 0.00 0.00 178.00 179.65 2wc4 h LEU 250 N 0.06 0.32 0.00 2.35 5.85 -1.22 0.76 115.31 123.43 2wc4 h LEU 250 Ca 0.10 0.03 -0.26 0.00 0.84 0.00 0.00 57.88 58.58 2wc4 h LEU 250 Cb 0.31 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 2wc4 h LEU 250 CO -0.01 0.13 -2.00 0.49 -0.34 0.00 0.00 178.44 176.72 2wc4 n PHE 251 N -4.46 0.00 0.20 1.25 3.72 -0.49 -4.40 117.46 113.28 2wc4 n PHE 251 Ca 0.18 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.69 2wc4 n PHE 251 Cb 0.70 -0.71 0.14 0.00 -0.94 0.00 0.00 39.48 38.67 2wc4 n PHE 251 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2wc4 h LEU 252 N 0.00 0.00 -0.34 4.37 3.38 -0.60 -2.33 115.31 119.78 2wc4 h LEU 252 Ca -0.39 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 2wc4 h LEU 252 Cb 1.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.59 2wc4 h LEU 252 CO 0.01 0.02 0.01 -1.13 0.09 0.00 0.00 178.44 177.44 2wc4 h ASN 253 N 0.00 0.58 -0.21 -0.43 -1.24 -1.05 -0.37 115.58 112.86 2wc4 h ASN 253 Ca -0.00 -0.30 0.02 0.00 0.71 0.00 0.00 56.30 56.73 2wc4 h ASN 253 Cb 1.01 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 39.89 2wc4 h ASN 253 CO 0.00 0.74 0.09 -0.65 -1.29 0.00 0.00 177.43 176.32 2wc4 h PRO 254 N 0.41 0.19 -0.56 6.67 0.11 -1.15 0.20 132.00 137.87 2wc4 h PRO 254 Ca 0.10 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 2wc4 h PRO 254 Cb 0.43 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.48 2wc4 h PRO 254 CO 0.02 0.13 -0.04 0.82 -0.21 0.00 0.00 178.00 178.71 2wc4 h ILE 255 N 0.20 1.27 0.00 4.15 2.04 -1.28 -1.64 117.51 122.24 2wc4 h ILE 255 Ca 0.09 -1.18 -0.10 0.00 1.00 0.00 0.00 64.86 64.67 2wc4 h ILE 255 Cb 0.04 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 2wc4 h ILE 255 CO -0.08 0.42 -2.00 -1.22 0.00 0.00 0.00 178.15 175.28 2wc4 n TYR 256 N -4.20 0.12 0.00 1.37 4.01 -0.16 -4.39 117.16 113.91 2wc4 n TYR 256 Ca 0.02 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 2wc4 n TYR 256 Cb 0.36 -0.68 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 2wc4 n TYR 256 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2wc4 n ARG 257 N -2.44 4.28 -1.06 -0.72 1.74 0.62 -5.04 116.66 114.03 2wc4 n ARG 257 Ca -0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.97 2wc4 n ARG 257 Cb 0.72 -0.52 0.00 0.00 -1.02 0.00 0.00 32.46 31.64 2wc4 n ARG 257 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wc4 n GLY 258 N 1.09 0.58 3.77 -0.13 0.00 -0.62 -4.96 105.19 104.92 2wc4 n GLY 258 Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 2wc4 n GLY 258 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wc4 s ASP 259 N -2.79 -0.24 0.63 1.61 -1.08 -1.21 -4.85 116.67 108.75 2wc4 s ASP 259 Ca 0.00 -0.45 -0.13 0.00 -0.52 0.00 0.00 52.55 51.45 2wc4 s ASP 259 Cb 0.00 0.60 -0.02 0.00 -1.46 0.00 0.00 42.92 42.03 2wc4 s ASP 259 CO 0.00 -1.09 1.05 -0.31 0.52 0.00 0.00 175.17 175.34 2wc4 s TYR 260 N -3.58 3.19 0.66 -5.34 2.02 -1.26 -1.28 117.35 111.76 2wc4 s TYR 260 Ca 0.11 1.44 -0.17 0.00 -0.37 0.00 0.00 57.07 58.07 2wc4 s TYR 260 Cb -0.03 -2.89 -0.00 0.00 -0.40 0.00 0.00 41.96 38.64 2wc4 s TYR 260 CO 0.03 -1.01 1.27 -2.14 -1.57 0.00 0.00 175.55 172.12 2wc4 s PRO 261 N -4.65 2.49 0.20 -1.71 0.02 -1.26 -4.77 135.00 125.32 2wc4 s PRO 261 Ca 0.59 1.98 -0.11 0.00 0.02 0.00 0.00 61.00 63.48 2wc4 s PRO 261 Cb -0.14 -1.85 0.26 0.00 0.02 0.00 0.00 34.50 32.79 2wc4 s PRO 261 CO 0.46 -1.62 1.72 1.05 -0.33 0.00 0.00 177.00 178.28 2wc4 h GLU 262 N 0.39 0.29 -0.04 5.54 9.09 -1.98 -1.66 114.58 126.20 2wc4 h GLU 262 Ca -0.50 -0.02 -0.10 0.00 0.05 0.00 0.00 59.36 58.79 2wc4 h GLU 262 Cb 1.32 -0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 28.35 2wc4 h GLU 262 CO 0.52 0.19 -0.43 -0.07 0.05 0.00 0.00 179.01 179.27 2wc4 h LEU 263 N 0.29 0.08 -0.13 3.06 3.38 -1.96 -0.49 115.31 119.56 2wc4 h LEU 263 Ca 0.29 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 2wc4 h LEU 263 Cb 0.41 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2wc4 h LEU 263 CO -0.35 0.51 -0.05 0.58 0.09 0.00 0.00 178.44 179.22 2wc4 h VAL 264 N 0.07 1.30 -0.87 1.22 2.07 -1.81 -2.19 116.25 116.03 2wc4 h VAL 264 Ca 0.00 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.53 2wc4 h VAL 264 Cb 0.80 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.24 2wc4 h VAL 264 CO 0.06 0.30 0.57 -0.07 0.02 0.00 0.00 177.57 178.45 2wc4 h LEU 265 N -0.07 0.93 -0.54 2.57 3.38 -1.16 0.29 115.31 120.71 2wc4 h LEU 265 Ca 0.03 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2wc4 h LEU 265 Cb 0.49 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2wc4 h LEU 265 CO 0.02 0.63 0.13 -0.08 0.09 0.00 0.00 178.44 179.22 2wc4 h GLU 266 N 1.07 0.87 0.00 1.13 4.81 -0.89 -2.28 114.58 119.29 2wc4 h GLU 266 Ca 0.35 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2wc4 h GLU 266 Cb 0.05 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 2wc4 h GLU 266 CO -0.11 0.82 -1.15 0.34 -0.73 0.00 0.00 179.01 178.18 2wc4 n PHE 267 N -4.41 0.87 -0.17 0.92 7.35 -0.84 -4.54 117.46 116.63 2wc4 n PHE 267 Ca 0.02 0.26 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 2wc4 n PHE 267 Cb 0.23 -0.93 0.00 0.00 0.35 0.00 0.00 39.48 39.14 2wc4 n PHE 267 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wc4 n ALA 268 N -2.21 1.97 -0.08 3.13 0.00 0.99 -4.70 120.51 119.61 2wc4 n ALA 268 Ca -0.02 -0.62 0.19 0.00 0.00 0.00 0.00 53.44 53.00 2wc4 n ALA 268 Cb 0.58 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.65 2wc4 n ALA 268 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2wc4 h ARG 269 N 0.00 0.16 -0.10 0.00 0.11 -1.56 -0.49 114.38 112.50 2wc4 h ARG 269 Ca 0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 2wc4 h ARG 269 Cb 0.29 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.33 2wc4 h ARG 269 CO 0.00 0.11 -0.08 1.49 0.10 0.00 0.00 179.97 181.58 2wc4 h GLU 270 N 0.16 0.14 0.00 0.08 4.57 -1.86 -2.93 114.58 114.74 2wc4 h GLU 270 Ca 0.31 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.44 2wc4 h GLU 270 Cb 0.99 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2wc4 h GLU 270 CO -0.05 0.24 -1.51 0.66 -1.18 0.00 0.00 179.01 177.16 2wc4 n TYR 271 N -4.36 0.52 -1.99 0.92 4.01 -0.23 -4.91 117.16 111.12 2wc4 n TYR 271 Ca -0.01 0.15 -0.34 0.00 -0.16 0.00 0.00 57.90 57.54 2wc4 n TYR 271 Cb 0.21 -0.77 0.02 0.00 -0.31 0.00 0.00 39.34 38.49 2wc4 n TYR 271 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wc4 s LEU 272 N -5.03 3.54 0.61 7.72 1.43 -1.01 -4.41 118.68 121.54 2wc4 s LEU 272 Ca -0.04 2.04 -0.19 0.00 -1.03 0.00 0.00 54.13 54.91 2wc4 s LEU 272 Cb 0.11 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.74 2wc4 s LEU 272 CO 0.85 -1.41 1.18 -2.65 0.23 0.00 0.00 176.35 174.54 2wc4 n PRO 273 N -1.93 1.14 0.00 1.29 -0.02 -1.26 -4.89 135.00 129.33 2wc4 n PRO 273 Ca 0.11 0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 61.93 2wc4 n PRO 273 Cb 0.52 -2.39 0.06 0.00 -0.02 0.00 0.00 33.50 31.67 2wc4 n PRO 273 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2wc4 h GLU 274 N 0.69 0.56 -0.98 -0.52 4.57 -1.94 -2.76 114.58 114.20 2wc4 h GLU 274 Ca -0.50 -0.34 -0.33 0.00 -1.18 0.00 0.00 59.36 57.02 2wc4 h GLU 274 Cb 1.34 0.03 -0.19 0.00 -0.16 0.00 0.00 28.75 29.77 2wc4 h GLU 274 CO 0.53 0.94 0.41 0.09 -1.18 0.00 0.00 179.01 179.81 2wc4 n ASN 275 N -3.97 3.58 0.04 1.04 5.03 -1.26 -4.57 115.26 115.14 2wc4 n ASN 275 Ca -0.03 -3.06 0.13 0.00 0.87 0.00 0.00 54.58 52.48 2wc4 n ASN 275 Cb 0.59 -0.72 0.58 0.00 -1.02 0.00 0.00 39.78 39.21 2wc4 n ASN 275 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.26 175.53 2wc4 h TYR 276 N 0.86 0.20 0.00 3.10 -0.00 -1.85 -1.06 116.97 118.22 2wc4 h TYR 276 Ca 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 58.73 59.12 2wc4 h TYR 276 Cb 2.22 -0.07 -0.00 0.00 0.00 0.00 0.00 36.73 38.88 2wc4 h TYR 276 CO 1.07 0.10 -0.06 -0.22 -0.00 0.00 0.00 178.16 179.05 2wc4 h LYS 277 N 0.20 0.00 -0.01 0.10 3.64 -1.86 -0.80 116.57 117.84 2wc4 h LYS 277 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2wc4 h LYS 277 Cb 0.49 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2wc4 h LYS 277 CO -0.03 0.06 0.01 -0.44 -2.27 0.00 0.00 179.45 176.78 2wc4 h ASP 278 N 0.00 0.00 0.39 4.20 3.32 -1.56 -0.20 116.42 122.56 2wc4 h ASP 278 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wc4 h ASP 278 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2wc4 h ASP 278 CO 0.01 0.00 -0.47 0.47 -1.72 0.00 0.00 179.24 177.53 2wc4 n ASP 279 N -3.46 0.70 0.09 6.45 8.00 -0.30 -4.28 116.55 123.73 2wc4 n ASP 279 Ca -0.03 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 54.98 2wc4 n ASP 279 Cb 0.09 0.28 0.31 0.00 -0.02 0.00 0.00 41.12 41.78 2wc4 n ASP 279 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2wc4 h MET 280 N 0.36 0.30 -0.38 -1.24 2.86 -1.13 -1.74 114.93 113.97 2wc4 h MET 280 Ca 0.00 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2wc4 h MET 280 Cb 0.51 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 2wc4 h MET 280 CO 0.00 0.50 0.17 1.03 1.06 0.00 0.00 176.91 179.67 2wc4 h SER 281 N 0.28 0.23 -0.18 1.22 0.87 -1.75 -2.39 113.55 111.83 2wc4 h SER 281 Ca 0.05 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 2wc4 h SER 281 Cb 0.52 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2wc4 h SER 281 CO 0.03 0.17 -0.38 -0.33 -0.53 0.00 0.00 176.83 175.80 2wc4 h GLU 282 N 0.35 0.70 -0.20 2.24 3.07 -1.79 -2.80 114.58 116.15 2wc4 h GLU 282 Ca 0.16 -0.35 0.06 0.00 -0.50 0.00 0.00 59.36 58.73 2wc4 h GLU 282 Cb 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2wc4 h GLU 282 CO -0.13 0.97 0.21 0.82 -1.40 0.00 0.00 179.01 179.47 2wc4 h ILE 283 N 0.58 0.53 -0.14 3.13 2.04 -0.83 -2.53 117.51 120.28 2wc4 h ILE 283 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2wc4 h ILE 283 Cb 0.91 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2wc4 h ILE 283 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.23 2wc4 n GLN 284 N -3.90 1.36 -1.48 2.37 6.02 -0.99 -4.56 117.38 116.19 2wc4 n GLN 284 Ca 0.02 -0.55 -0.58 0.00 -0.01 0.00 0.00 57.00 55.88 2wc4 n GLN 284 Cb 0.34 -1.16 -0.08 0.00 1.02 0.00 0.00 30.24 30.36 2wc4 n GLN 284 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2wc4 n GLU 285 N -0.09 0.00 -1.99 -1.09 4.07 -0.96 -4.79 120.64 115.80 2wc4 n GLU 285 Ca 0.07 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.75 2wc4 n GLU 285 Cb 0.14 -1.41 -0.03 0.00 -0.06 0.00 0.00 31.44 30.08 2wc4 n GLU 285 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2wc4 s LYS 286 N 0.83 4.24 0.15 5.31 2.20 -1.26 -5.02 119.74 126.19 2wc4 s LYS 286 Ca 0.90 2.31 0.06 0.00 -0.36 0.00 0.00 55.97 58.87 2wc4 s LYS 286 Cb -1.26 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 31.87 2wc4 s LYS 286 CO 0.61 -0.53 0.05 0.96 -0.36 0.00 0.00 175.35 176.08 2wc4 s ILE 287 N 0.76 4.08 -0.11 5.43 -4.36 -1.26 -5.00 121.20 120.73 2wc4 s ILE 287 Ca 0.66 -1.20 0.15 0.00 -0.26 0.00 0.00 60.65 60.00 2wc4 s ILE 287 Cb -0.42 -3.04 -0.06 0.00 1.25 0.00 0.00 42.46 40.19 2wc4 s ILE 287 CO 0.35 -0.06 1.12 0.44 0.24 0.00 0.00 174.94 177.04 2wc4 h ASP 288 N 2.76 0.00 -4.88 4.36 3.32 -1.55 -3.47 116.42 116.96 2wc4 h ASP 288 Ca -0.47 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.59 2wc4 h ASP 288 Cb 1.19 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.60 2wc4 h ASP 288 CO 0.60 0.60 0.29 0.72 -1.72 0.00 0.00 179.24 179.73 2wc4 s PHE 289 N -2.91 -0.50 -0.10 4.55 -0.12 -1.23 -4.03 117.98 113.64 2wc4 s PHE 289 Ca 0.00 0.41 -0.01 0.00 -0.05 0.00 0.00 56.93 57.28 2wc4 s PHE 289 Cb 0.08 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.98 2wc4 s PHE 289 CO 0.78 -0.73 -0.04 0.08 -0.05 0.00 0.00 175.22 175.27 2wc4 s VAL 290 N -3.20 3.92 -0.15 -2.49 1.01 -0.67 -3.76 120.40 115.07 2wc4 s VAL 290 Ca 0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2wc4 s VAL 290 Cb -0.01 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2wc4 s VAL 290 CO -0.09 0.57 0.02 -0.83 0.00 0.00 0.00 175.10 174.77 2wc4 s GLY 291 N -0.48 1.84 -0.11 4.51 0.00 0.15 -0.86 107.32 112.37 2wc4 s GLY 291 Ca 0.08 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 44.03 2wc4 s GLY 291 CO 0.02 -0.14 -0.17 1.08 0.00 0.00 0.00 173.10 173.89 2wc4 s LEU 292 N 0.04 2.49 -0.08 0.66 1.43 0.04 -0.94 118.68 122.31 2wc4 s LEU 292 Ca 0.03 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.69 2wc4 s LEU 292 Cb -0.13 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2wc4 s LEU 292 CO 0.02 0.17 0.08 0.20 0.23 0.00 0.00 176.35 177.05 2wc4 s ASN 293 N 0.28 5.81 -0.13 2.29 0.01 0.18 -0.84 114.94 122.54 2wc4 s ASN 293 Ca -0.12 0.28 -0.07 0.00 -0.71 0.00 0.00 52.86 52.24 2wc4 s ASN 293 Cb -0.16 -1.76 0.05 0.00 0.41 0.00 0.00 41.25 39.79 2wc4 s ASN 293 CO 0.07 0.37 0.31 -0.47 -1.51 0.00 0.00 177.10 175.87 2wc4 s TYR 294 N -1.01 -0.45 0.00 2.20 5.04 -0.91 -2.29 117.35 119.93 2wc4 s TYR 294 Ca 0.16 1.01 0.00 0.00 -2.44 0.00 0.00 57.07 55.80 2wc4 s TYR 294 Cb -0.12 0.13 0.00 0.00 0.35 0.00 0.00 41.96 42.32 2wc4 s TYR 294 CO 0.05 -0.29 0.00 0.66 -1.34 0.00 0.00 175.55 174.63 2wc4 n TYR 295 N 4.39 0.00 -3.89 4.97 4.02 -1.26 -4.32 117.16 121.07 2wc4 n TYR 295 Ca -0.22 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.57 2wc4 n TYR 295 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.77 2wc4 n TYR 295 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2wc4 s SER 296 N -2.20 0.11 0.18 7.72 1.04 -1.26 -4.74 113.70 114.55 2wc4 s SER 296 Ca 0.00 -0.47 0.09 0.00 0.48 0.00 0.00 55.95 56.05 2wc4 s SER 296 Cb 0.00 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 2wc4 s SER 296 CO 0.00 -0.54 -0.13 -0.83 0.98 0.00 0.00 173.24 172.71 2wc4 s GLY 297 N -2.16 1.72 -0.04 7.32 0.00 -1.21 -2.17 107.32 110.79 2wc4 s GLY 297 Ca -0.04 -1.49 -0.02 0.00 0.00 0.00 0.00 44.72 43.17 2wc4 s GLY 297 CO -0.05 -1.51 0.09 0.30 0.00 0.00 0.00 173.10 171.93 2wc4 s HIS 298 N -1.64 -0.07 -0.05 1.90 3.76 0.32 -4.46 115.29 115.05 2wc4 s HIS 298 Ca 0.23 0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 55.25 2wc4 s HIS 298 Cb -0.09 -0.12 -0.05 0.00 1.11 0.00 0.00 32.58 33.43 2wc4 s HIS 298 CO 0.14 -0.11 0.51 -1.17 -0.85 0.00 0.00 174.74 173.25 2wc4 s LEU 299 N 0.90 4.37 0.05 0.89 2.96 -1.26 -1.40 118.68 125.18 2wc4 s LEU 299 Ca -0.07 0.97 0.05 0.00 -0.22 0.00 0.00 54.13 54.86 2wc4 s LEU 299 Cb -0.10 -2.76 -0.02 0.00 0.50 0.00 0.00 46.19 43.81 2wc4 s LEU 299 CO -0.04 0.11 -0.14 0.68 -1.32 0.00 0.00 176.35 175.64 2wc4 s VAL 300 N -0.04 1.12 0.12 1.68 -7.23 -0.05 -0.89 120.40 115.11 2wc4 s VAL 300 Ca 0.27 -1.11 0.05 0.00 -1.81 0.00 0.00 61.98 59.39 2wc4 s VAL 300 Cb -0.17 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 2wc4 s VAL 300 CO 0.13 -0.07 -0.13 -1.59 -0.31 0.00 0.00 175.10 173.14 2wc4 s LYS 301 N -1.34 0.97 0.17 4.82 -2.85 -0.50 -0.92 119.74 120.09 2wc4 s LYS 301 Ca 0.00 -1.22 -0.31 0.00 -1.00 0.00 0.00 55.97 53.44 2wc4 s LYS 301 Cb -0.09 -0.79 -0.09 0.00 -2.06 0.00 0.00 37.83 34.80 2wc4 s LYS 301 CO 0.02 0.14 1.43 0.12 0.10 0.00 0.00 175.35 177.16 2wc4 s PHE 302 N -2.26 3.16 -0.18 1.78 5.36 -1.26 -1.83 117.98 122.75 2wc4 s PHE 302 Ca 0.08 0.93 -0.03 0.00 -0.96 0.00 0.00 56.93 56.95 2wc4 s PHE 302 Cb -0.04 -3.76 0.06 0.00 -0.34 0.00 0.00 43.02 38.94 2wc4 s PHE 302 CO 0.02 -2.62 0.04 0.34 -1.46 0.00 0.00 175.22 171.54 2wc4 s ASP 303 N 0.83 2.77 0.22 6.13 -1.08 0.10 -4.84 116.67 120.80 2wc4 s ASP 303 Ca 0.64 -0.76 0.20 0.00 -0.52 0.00 0.00 52.55 52.10 2wc4 s ASP 303 Cb -0.40 -0.54 0.90 0.00 -1.46 0.00 0.00 42.92 41.43 2wc4 s ASP 303 CO 0.34 -0.31 1.60 -0.81 0.52 0.00 0.00 175.17 176.51 2wc4 n PRO 304 N 5.08 0.13 -0.00 4.34 -0.04 -1.26 -2.76 135.00 140.50 2wc4 n PRO 304 Ca -0.09 0.48 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 2wc4 n PRO 304 Cb 0.48 -1.82 -0.14 0.00 -0.04 0.00 0.00 33.50 31.97 2wc4 n PRO 304 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2wc4 n ASP 305 N -2.08 0.15 -4.86 3.54 8.00 -1.26 -4.90 116.55 115.13 2wc4 n ASP 305 Ca 0.01 0.06 -0.31 0.00 0.71 0.00 0.00 54.79 55.26 2wc4 n ASP 305 Cb 0.14 1.62 -0.01 0.00 -0.02 0.00 0.00 41.12 42.85 2wc4 n ASP 305 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wc4 s ALA 306 N -3.37 3.11 -0.03 2.24 0.00 -1.11 -4.98 121.76 117.61 2wc4 s ALA 306 Ca -0.07 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 2wc4 s ALA 306 Cb 0.12 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 2wc4 s ALA 306 CO 0.88 -0.47 1.26 -2.14 0.00 0.00 0.00 175.76 175.29 2wc4 s PRO 307 N -4.68 4.33 0.00 0.00 0.02 -1.26 -1.58 135.00 131.83 2wc4 s PRO 307 Ca 0.56 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.34 2wc4 s PRO 307 Cb -0.11 -3.55 0.00 0.00 0.02 0.00 0.00 34.50 30.86 2wc4 s PRO 307 CO 0.44 -0.48 0.00 0.00 -0.33 0.00 0.00 177.00 176.63 2wc4 n ALA 308 N 5.19 0.00 -2.92 -1.55 0.00 -1.26 -4.31 120.51 115.66 2wc4 n ALA 308 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.34 2wc4 n ALA 308 Cb 0.45 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.93 2wc4 n ALA 308 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wc4 n LYS 309 N -2.00 -4.15 -4.22 0.00 5.02 -0.62 -4.97 118.16 107.22 2wc4 n LYS 309 Ca 0.00 0.89 -0.20 0.00 -2.02 0.00 0.00 58.31 56.97 2wc4 n LYS 309 Cb 0.00 -5.70 -0.16 0.00 -0.02 0.00 0.00 35.03 29.15 2wc4 n LYS 309 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wc4 s VAL 310 N -3.12 0.61 0.18 -0.18 1.01 -1.25 -0.72 120.40 116.92 2wc4 s VAL 310 Ca 0.25 -0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.14 2wc4 s VAL 310 Cb -0.11 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2wc4 s VAL 310 CO 0.31 0.24 -0.16 -0.94 0.00 0.00 0.00 175.10 174.55 2wc4 s SER 311 N 0.86 2.55 0.11 3.32 1.04 -0.76 -4.78 113.70 116.04 2wc4 s SER 311 Ca -0.12 -0.94 -0.13 0.00 0.48 0.00 0.00 55.95 55.24 2wc4 s SER 311 Cb -0.15 -0.14 -0.06 0.00 0.10 0.00 0.00 66.02 65.77 2wc4 s SER 311 CO 0.01 -0.12 0.49 -0.36 0.98 0.00 0.00 173.24 174.24 2wc4 s PHE 312 N -2.54 3.61 -0.15 5.02 0.40 -1.26 -1.41 117.98 121.65 2wc4 s PHE 312 Ca 0.18 0.97 0.00 0.00 -0.60 0.00 0.00 56.93 57.49 2wc4 s PHE 312 Cb -0.03 -2.30 -0.01 0.00 0.51 0.00 0.00 43.02 41.20 2wc4 s PHE 312 CO 0.06 0.48 -0.15 0.08 0.70 0.00 0.00 175.22 176.39 2wc4 s VAL 313 N -1.41 2.77 0.22 -0.44 1.01 -0.07 -4.94 120.40 117.54 2wc4 s VAL 313 Ca 0.35 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 2wc4 s VAL 313 Cb -0.15 -2.17 -0.10 0.00 0.00 0.00 0.00 36.38 33.97 2wc4 s VAL 313 CO 0.18 0.52 1.44 -0.70 0.00 0.00 0.00 175.10 176.54 2wc4 s GLU 314 N 0.68 4.28 0.13 2.72 2.12 -1.26 -4.28 118.70 123.10 2wc4 s GLU 314 Ca -0.07 2.26 0.06 0.00 0.36 0.00 0.00 54.97 57.58 2wc4 s GLU 314 Cb -0.16 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 2wc4 s GLU 314 CO 0.02 -0.43 0.03 1.03 -0.54 0.00 0.00 175.26 175.37 2wc4 s ARG 315 N 0.01 2.59 -1.35 4.30 0.52 -1.26 -5.04 118.95 118.72 2wc4 s ARG 315 Ca 0.61 -0.92 -0.14 0.00 -0.52 0.00 0.00 55.73 54.76 2wc4 s ARG 315 Cb -0.41 -2.51 0.09 0.00 0.52 0.00 0.00 34.95 32.63 2wc4 s ARG 315 CO 0.40 0.50 1.93 -3.47 0.02 0.00 0.00 175.30 174.68 2wc4 n ASP 316 N 0.16 4.56 -4.41 0.23 2.03 -1.26 -4.91 116.55 112.95 2wc4 n ASP 316 Ca -0.10 -2.93 -0.21 0.00 0.52 0.00 0.00 54.79 52.08 2wc4 n ASP 316 Cb 0.53 -1.64 -0.10 0.00 -0.72 0.00 0.00 41.12 39.19 2wc4 n ASP 316 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wc4 s LEU 317 N 2.28 2.54 0.32 -2.67 1.43 -1.26 -5.11 118.68 116.21 2wc4 s LEU 317 Ca 0.47 -1.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.18 2wc4 s LEU 317 Cb 0.08 -0.73 -0.11 0.00 0.03 0.00 0.00 46.19 45.46 2wc4 s LEU 317 CO -0.01 -0.22 1.50 -2.84 0.23 0.00 0.00 176.35 175.01 2wc4 s PRO 318 N -3.66 4.16 0.21 1.29 0.02 -1.26 -4.85 135.00 130.91 2wc4 s PRO 318 Ca 0.27 2.49 0.11 0.00 0.02 0.00 0.00 61.00 63.89 2wc4 s PRO 318 Cb 0.01 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.46 2wc4 s PRO 318 CO 0.10 -0.51 -0.21 0.15 -0.33 0.00 0.00 177.00 176.20 2wc4 s LYS 319 N -1.23 1.49 0.35 5.54 1.02 -1.26 -0.39 119.74 125.25 2wc4 s LYS 319 Ca 0.57 -1.55 -0.02 0.00 0.02 0.00 0.00 55.97 54.99 2wc4 s LYS 319 Cb -0.45 -1.67 0.07 0.00 -0.52 0.00 0.00 37.83 35.26 2wc4 s LYS 319 CO 0.54 0.34 0.48 0.25 -0.92 0.00 0.00 175.35 176.04 2wc4 n THR 320 N 0.05 0.00 0.34 2.17 -2.24 -0.64 -4.90 114.28 109.06 2wc4 n THR 320 Ca -0.11 -0.64 0.07 0.00 -2.27 0.00 0.00 64.05 61.10 2wc4 n THR 320 Cb 0.57 -1.30 0.30 0.00 -2.10 0.00 0.00 70.33 67.79 2wc4 n THR 320 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc4 n ALA 321 N -3.06 1.47 1.23 6.98 0.00 0.98 -1.34 120.51 126.77 2wc4 n ALA 321 Ca -0.08 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.50 2wc4 n ALA 321 Cb 0.26 -1.22 0.48 0.00 0.00 0.00 0.00 19.45 18.98 2wc4 n ALA 321 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wc4 n MET 322 N -1.70 0.48 -0.98 0.00 2.81 -1.26 -4.92 117.12 111.55 2wc4 n MET 322 Ca 0.02 -0.21 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 2wc4 n MET 322 Cb 0.13 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 2wc4 n MET 322 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wc4 n GLY 323 N 1.37 0.63 3.73 3.03 0.00 -0.45 -5.03 105.19 108.47 2wc4 n GLY 323 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2wc4 n GLY 323 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2wc4 s TRP 324 N -2.50 3.79 0.17 1.61 0.51 -1.26 -4.76 118.94 116.50 2wc4 s TRP 324 Ca 0.00 1.77 -0.31 0.00 -2.12 0.00 0.00 56.10 55.44 2wc4 s TRP 324 Cb 0.00 -3.04 -0.09 0.00 -0.81 0.00 0.00 33.47 29.53 2wc4 s TRP 324 CO 0.00 0.19 1.40 -1.21 -0.51 0.00 0.00 176.95 176.82 2wc4 s GLU 325 N 0.08 4.32 -0.48 4.98 2.02 -1.26 -1.62 118.70 126.74 2wc4 s GLU 325 Ca 0.47 2.15 -0.24 0.00 0.02 0.00 0.00 54.97 57.37 2wc4 s GLU 325 Cb -0.23 -3.20 0.03 0.00 0.10 0.00 0.00 34.13 30.84 2wc4 s GLU 325 CO 0.29 -0.40 0.84 0.42 0.02 0.00 0.00 175.26 176.43 2wc4 s ILE 326 N 0.63 4.57 -0.50 -1.63 1.01 0.48 -3.29 121.20 122.46 2wc4 s ILE 326 Ca 0.62 0.41 0.03 0.00 0.00 0.00 0.00 60.65 61.71 2wc4 s ILE 326 Cb -0.39 -4.39 0.16 0.00 0.01 0.00 0.00 42.46 37.85 2wc4 s ILE 326 CO 0.35 -0.83 0.34 -0.69 0.00 0.00 0.00 174.94 174.10 2wc4 s VAL 327 N 3.49 1.47 0.45 2.92 1.01 -1.26 -4.74 120.40 123.74 2wc4 s VAL 327 Ca 0.31 -3.05 0.13 0.00 0.00 0.00 0.00 61.98 59.37 2wc4 s VAL 327 Cb -0.12 -2.00 0.22 0.00 0.00 0.00 0.00 36.38 34.48 2wc4 s VAL 327 CO 0.22 -1.03 2.04 -0.65 0.00 0.00 0.00 175.10 175.68 2wc4 h PRO 328 N 6.03 0.14 0.00 2.72 0.11 -1.93 -0.23 132.00 138.85 2wc4 h PRO 328 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2wc4 h PRO 328 Cb 0.87 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2wc4 h PRO 328 CO 0.51 0.19 0.00 1.05 -0.21 0.00 0.00 178.00 179.54 2wc4 h GLU 329 N 0.14 0.00 -0.02 1.05 9.09 -1.94 -1.88 114.58 121.01 2wc4 h GLU 329 Ca 0.03 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.45 2wc4 h GLU 329 Cb 0.16 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.26 2wc4 h GLU 329 CO 0.01 0.00 0.01 0.78 0.05 0.00 0.00 179.01 179.86 2wc4 h GLY 330 N 0.78 0.00 1.92 1.06 0.00 -1.43 -0.20 103.07 105.21 2wc4 h GLY 330 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2wc4 h GLY 330 CO 0.00 0.00 -0.86 1.19 0.00 0.00 0.00 176.54 176.87 2wc4 h ILE 331 N 0.00 1.57 -0.25 2.60 2.10 -1.52 -1.64 117.51 120.36 2wc4 h ILE 331 Ca 0.01 -2.81 -0.04 0.00 1.08 0.00 0.00 64.86 63.09 2wc4 h ILE 331 Cb 0.04 2.54 -0.01 0.00 -1.09 0.00 0.00 36.82 38.30 2wc4 h ILE 331 CO -0.00 0.81 -0.01 0.22 -1.08 0.00 0.00 178.15 178.08 2wc4 h TYR 332 N 0.03 0.50 -0.41 2.19 5.03 -1.51 -2.59 116.97 120.21 2wc4 h TYR 332 Ca -0.02 -0.09 0.02 0.00 2.58 0.00 0.00 58.73 61.21 2wc4 h TYR 332 Cb 1.51 -0.13 -0.03 0.00 1.55 0.00 0.00 36.73 39.63 2wc4 h TYR 332 CO 0.01 0.63 0.25 2.35 -1.32 0.00 0.00 178.16 180.08 2wc4 h TRP 333 N 0.23 0.46 -0.21 -3.82 7.01 -0.85 -1.54 115.95 117.23 2wc4 h TRP 333 Ca 0.07 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 60.98 2wc4 h TRP 333 Cb 0.44 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 2wc4 h TRP 333 CO 0.04 0.27 -0.33 0.97 -2.79 0.00 0.00 178.44 176.60 2wc4 h ILE 334 N 0.50 1.28 -0.33 2.65 6.09 -1.35 0.03 117.51 126.39 2wc4 h ILE 334 Ca 0.16 -1.40 -0.13 0.00 -1.37 0.00 0.00 64.86 62.11 2wc4 h ILE 334 Cb -0.00 1.49 -0.01 0.00 0.47 0.00 0.00 36.82 38.77 2wc4 h ILE 334 CO -0.07 0.44 -0.32 -0.07 -3.07 0.00 0.00 178.15 175.06 2wc4 h LEU 335 N 0.37 0.86 -0.09 2.19 3.38 -1.22 -1.09 115.31 119.71 2wc4 h LEU 335 Ca 0.04 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2wc4 h LEU 335 Cb 0.76 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2wc4 h LEU 335 CO 0.06 1.14 0.02 0.11 0.09 0.00 0.00 178.44 179.87 2wc4 h LYS 336 N 0.58 0.14 -0.62 1.13 1.79 -1.08 -2.97 116.57 115.54 2wc4 h LYS 336 Ca 0.05 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2wc4 h LYS 336 Cb 0.90 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.50 2wc4 h LYS 336 CO 0.08 0.33 0.37 0.87 -1.08 0.00 0.00 179.45 180.02 2wc4 h LYS 337 N -0.07 0.83 -0.29 3.15 1.79 -0.94 -0.44 116.57 120.60 2wc4 h LYS 337 Ca 0.03 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.25 2wc4 h LYS 337 Cb 0.25 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2wc4 h LYS 337 CO 0.00 0.58 -0.53 -0.24 -1.08 0.00 0.00 179.45 178.19 2wc4 h VAL 338 N 0.85 1.28 -0.10 0.50 3.04 -1.15 0.82 116.25 121.49 2wc4 h VAL 338 Ca 0.22 -1.72 0.01 0.00 -1.01 0.00 0.00 66.70 64.21 2wc4 h VAL 338 Cb -0.04 1.62 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 2wc4 h VAL 338 CO -0.04 0.56 0.02 0.50 -1.01 0.00 0.00 177.57 177.60 2wc4 h LYS 339 N 0.65 0.07 -0.71 4.17 3.64 -1.33 0.71 116.57 123.76 2wc4 h LYS 339 Ca 0.02 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2wc4 h LYS 339 Cb 1.13 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 2wc4 h LYS 339 CO 0.12 0.05 0.37 1.49 -2.27 0.00 0.00 179.45 179.20 2wc4 h GLU 340 N 0.07 1.00 0.19 1.90 4.81 -0.83 -0.11 114.58 121.61 2wc4 h GLU 340 Ca 0.04 -0.13 -0.34 0.00 -0.13 0.00 0.00 59.36 58.81 2wc4 h GLU 340 Cb 0.03 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.24 2wc4 h GLU 340 CO -0.06 0.76 -1.66 0.93 -0.73 0.00 0.00 179.01 178.26 2wc4 h GLU 341 N 0.98 0.40 0.00 1.92 5.08 -0.77 -3.42 114.58 118.77 2wc4 h GLU 341 Ca 0.25 -0.69 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2wc4 h GLU 341 Cb 0.07 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2wc4 h GLU 341 CO -0.04 1.31 -0.17 0.66 -1.00 0.00 0.00 179.01 179.78 2wc4 n TYR 342 N -3.59 0.00 -4.09 4.33 4.01 0.19 -5.05 117.16 112.95 2wc4 n TYR 342 Ca -0.22 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.18 2wc4 n TYR 342 Cb 1.08 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 40.08 2wc4 n TYR 342 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2wc4 n ASN 343 N -0.69 -1.55 -4.74 7.72 5.15 -0.06 -4.91 115.26 116.18 2wc4 n ASN 343 Ca 0.00 -1.19 -0.37 0.00 -0.60 0.00 0.00 54.58 52.42 2wc4 n ASN 343 Cb 0.00 -2.16 0.05 0.00 -0.53 0.00 0.00 39.78 37.14 2wc4 n ASN 343 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2wc4 s PRO 344 N -7.05 2.83 0.36 1.20 0.04 -1.26 -4.91 135.00 126.21 2wc4 s PRO 344 Ca 0.20 1.99 0.09 0.00 0.04 0.00 0.00 61.00 63.32 2wc4 s PRO 344 Cb -0.10 -1.95 0.68 0.00 0.04 0.00 0.00 34.50 33.17 2wc4 s PRO 344 CO 0.95 -1.36 1.84 -1.00 0.04 0.00 0.00 177.00 177.47 2wc4 h PRO 345 N 0.85 0.18 -3.65 0.56 0.13 -1.91 -3.44 132.00 124.73 2wc4 h PRO 345 Ca -0.51 -0.06 -0.16 0.00 -0.87 0.00 0.00 66.00 64.40 2wc4 h PRO 345 Cb 1.31 -0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.21 2wc4 h PRO 345 CO 0.55 0.44 -0.57 -1.21 -0.23 0.00 0.00 178.00 176.98 2wc4 s GLU 346 N -4.44 0.38 0.03 0.86 2.02 -1.26 -4.81 118.70 111.48 2wc4 s GLU 346 Ca -0.05 -0.39 0.04 0.00 0.02 0.00 0.00 54.97 54.60 2wc4 s GLU 346 Cb 0.15 0.15 -0.02 0.00 0.10 0.00 0.00 34.13 34.51 2wc4 s GLU 346 CO 0.74 -0.08 -0.13 0.08 0.02 0.00 0.00 175.26 175.89 2wc4 s VAL 347 N -1.21 1.03 0.05 2.63 1.01 -0.55 -1.67 120.40 121.68 2wc4 s VAL 347 Ca -0.13 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.03 2wc4 s VAL 347 Cb -0.07 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2wc4 s VAL 347 CO 0.01 0.04 -0.19 -0.31 0.00 0.00 0.00 175.10 174.65 2wc4 s TYR 348 N -0.75 1.62 -0.51 5.22 1.51 -0.04 -0.79 117.35 123.62 2wc4 s TYR 348 Ca 0.01 -0.38 -0.24 0.00 -1.01 0.00 0.00 57.07 55.45 2wc4 s TYR 348 Cb -0.07 -0.95 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 2wc4 s TYR 348 CO 0.01 0.09 0.91 0.42 -1.11 0.00 0.00 175.55 175.87 2wc4 s ILE 349 N -0.89 4.46 -0.47 2.71 -1.09 -0.58 -0.78 121.20 124.56 2wc4 s ILE 349 Ca 0.05 0.44 0.23 0.00 -2.23 0.00 0.00 60.65 59.15 2wc4 s ILE 349 Cb -0.09 -4.47 -0.02 0.00 -1.58 0.00 0.00 42.46 36.31 2wc4 s ILE 349 CO 0.02 -0.96 1.13 0.35 -1.23 0.00 0.00 174.94 174.25 2wc4 n THR 350 N 6.26 0.40 -3.72 2.92 -2.24 -0.02 -0.21 114.28 117.65 2wc4 n THR 350 Ca 0.03 -0.37 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 2wc4 n THR 350 Cb 0.48 -0.12 -0.10 0.00 -2.10 0.00 0.00 70.33 68.48 2wc4 n THR 350 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wc4 s GLU 351 N -3.26 0.44 -0.23 -0.78 2.02 -1.24 -4.63 118.70 111.02 2wc4 s GLU 351 Ca 0.03 0.63 -0.17 0.00 0.02 0.00 0.00 54.97 55.47 2wc4 s GLU 351 Cb 0.12 0.15 0.06 0.00 0.10 0.00 0.00 34.13 34.56 2wc4 s GLU 351 CO 0.77 -0.09 0.59 1.21 0.02 0.00 0.00 175.26 177.76 2wc4 s ASN 352 N 0.59 -0.70 0.00 -0.19 3.04 -0.99 -2.15 114.94 114.55 2wc4 s ASN 352 Ca -0.03 1.24 0.00 0.00 0.04 0.00 0.00 52.86 54.11 2wc4 s ASN 352 Cb -0.05 1.19 0.00 0.00 -1.54 0.00 0.00 41.25 40.85 2wc4 s ASN 352 CO -0.04 -0.21 0.00 0.61 -3.04 0.00 0.00 177.10 174.42 2wc4 n GLY 353 N 3.48 -1.26 3.39 1.21 0.00 -1.26 -1.21 105.19 109.54 2wc4 n GLY 353 Ca -0.17 -0.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 2wc4 n GLY 353 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wc4 s ALA 354 N -1.01 -1.27 -0.13 4.61 0.00 -1.26 -4.89 121.76 117.80 2wc4 s ALA 354 Ca 0.00 0.98 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 2wc4 s ALA 354 Cb 0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.88 2wc4 s ALA 354 CO 0.00 -0.30 0.34 0.00 0.00 0.00 0.00 175.76 175.81 2wc4 s ALA 355 N -0.87 3.59 0.04 0.00 0.00 -1.26 -4.41 121.76 118.86 2wc4 s ALA 355 Ca -0.09 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.50 2wc4 s ALA 355 Cb -0.03 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 2wc4 s ALA 355 CO 0.05 0.14 -0.05 -0.06 0.00 0.00 0.00 175.76 175.85 2wc4 s PHE 356 N 0.24 0.51 -0.80 0.00 0.08 -1.19 -0.01 117.98 116.81 2wc4 s PHE 356 Ca 0.19 -0.67 -0.23 0.00 0.12 0.00 0.00 56.93 56.34 2wc4 s PHE 356 Cb -0.14 -0.33 -0.16 0.00 -0.57 0.00 0.00 43.02 41.82 2wc4 s PHE 356 CO 0.06 -0.19 1.90 -0.25 -0.10 0.00 0.00 175.22 176.65 2wc4 n ASP 357 N 1.07 2.51 -4.75 1.36 8.00 -1.26 -4.52 116.55 118.95 2wc4 n ASP 357 Ca -0.20 -2.67 -0.41 0.00 0.71 0.00 0.00 54.79 52.22 2wc4 n ASP 357 Cb 0.57 -1.20 -0.03 0.00 -0.02 0.00 0.00 41.12 40.44 2wc4 n ASP 357 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2wc4 s ASP 358 N 5.49 6.81 0.01 -2.24 1.01 -1.26 -5.03 116.67 121.46 2wc4 s ASP 358 Ca 0.61 2.57 0.05 0.00 0.71 0.00 0.00 52.55 56.48 2wc4 s ASP 358 Cb 0.11 -2.63 -0.02 0.00 1.01 0.00 0.00 42.92 41.40 2wc4 s ASP 358 CO 0.14 -0.56 -0.16 0.68 0.21 0.00 0.00 175.17 175.49 2wc4 s VAL 359 N -0.42 1.24 -0.33 -1.27 -7.23 -1.26 -5.10 120.40 106.03 2wc4 s VAL 359 Ca 0.54 -0.79 -0.22 0.00 -1.81 0.00 0.00 61.98 59.70 2wc4 s VAL 359 Cb -0.39 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.49 2wc4 s VAL 359 CO 0.45 0.26 0.72 -0.69 -0.31 0.00 0.00 175.10 175.53 2wc4 s VAL 360 N -0.51 4.83 0.87 1.32 1.01 -1.26 -4.29 120.40 122.37 2wc4 s VAL 360 Ca 0.05 0.94 -0.13 0.00 0.00 0.00 0.00 61.98 62.84 2wc4 s VAL 360 Cb -0.07 -4.12 0.13 0.00 0.00 0.00 0.00 36.38 32.33 2wc4 s VAL 360 CO 0.00 -0.28 1.24 -0.94 0.00 0.00 0.00 175.10 175.12 2wc4 s SER 361 N 1.70 3.92 0.60 3.32 1.04 -0.33 -4.89 113.70 119.06 2wc4 s SER 361 Ca 0.29 0.55 0.40 0.00 0.48 0.00 0.00 55.95 57.67 2wc4 s SER 361 Cb -0.14 -0.85 2.10 0.00 0.10 0.00 0.00 66.02 67.23 2wc4 s SER 361 CO 0.14 -2.25 2.21 1.05 0.98 0.00 0.00 173.24 175.37 2wc4 h GLU 362 N -1.29 0.00 0.00 4.02 4.11 -1.97 0.09 114.58 119.53 2wc4 h GLU 362 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2wc4 h GLU 362 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2wc4 h GLU 362 CO 0.54 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.22 2wc4 n ASP 363 N -2.94 0.00 -0.07 3.06 5.68 -1.26 -4.88 116.55 116.13 2wc4 n ASP 363 Ca -0.02 -1.21 -0.01 0.00 -0.50 0.00 0.00 54.79 53.05 2wc4 n ASP 363 Cb 0.10 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2wc4 n ASP 363 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wc4 n GLY 364 N 0.76 0.49 3.62 6.12 0.00 0.02 -5.02 105.19 111.19 2wc4 n GLY 364 Ca 0.16 -0.42 -0.25 0.00 0.00 0.00 0.00 46.02 45.51 2wc4 n GLY 364 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wc4 s ARG 365 N -1.06 2.02 -0.27 1.61 0.52 -1.25 -4.89 118.95 115.64 2wc4 s ARG 365 Ca 0.00 -1.84 0.02 0.00 -0.52 0.00 0.00 55.73 53.39 2wc4 s ARG 365 Cb 0.00 -1.85 0.07 0.00 0.52 0.00 0.00 34.95 33.69 2wc4 s ARG 365 CO 0.00 0.09 -0.05 0.08 0.02 0.00 0.00 175.30 175.43 2wc4 s VAL 366 N -2.57 1.91 -1.21 3.52 1.01 -1.26 -1.19 120.40 120.62 2wc4 s VAL 366 Ca 0.35 -1.60 -0.08 0.00 0.00 0.00 0.00 61.98 60.65 2wc4 s VAL 366 Cb 0.02 -2.16 0.22 0.00 0.00 0.00 0.00 36.38 34.46 2wc4 s VAL 366 CO 0.19 -0.18 1.71 1.41 0.00 0.00 0.00 175.10 178.24 2wc4 n HIS 367 N 4.50 2.87 -2.26 5.22 -0.00 -1.26 -0.89 115.22 123.40 2wc4 n HIS 367 Ca -0.10 -2.77 -0.40 0.00 -0.00 0.00 0.00 57.72 54.44 2wc4 n HIS 367 Cb 0.43 -1.73 0.01 0.00 -0.00 0.00 0.00 29.99 28.69 2wc4 n HIS 367 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2wc4 n ASP 368 N 3.11 7.77 -0.17 0.41 5.75 -1.26 -4.69 116.55 127.47 2wc4 n ASP 368 Ca 0.35 -3.37 0.16 0.00 -0.01 0.00 0.00 54.79 51.92 2wc4 n ASP 368 Cb 0.36 -1.28 0.51 0.00 -1.03 0.00 0.00 41.12 39.67 2wc4 n ASP 368 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 2wc4 h GLN 369 N 4.44 0.39 -0.92 0.11 5.75 -1.98 -1.41 115.11 121.50 2wc4 h GLN 369 Ca 0.64 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 59.14 2wc4 h GLN 369 Cb 0.31 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.72 2wc4 h GLN 369 CO 1.36 0.26 0.60 -2.95 -2.65 0.00 0.00 178.83 175.45 2wc4 h ASN 370 N 0.40 1.00 0.69 -0.69 7.08 -2.00 0.09 115.58 122.16 2wc4 h ASN 370 Ca 0.38 -0.01 -0.26 0.00 -3.08 0.00 0.00 56.30 53.32 2wc4 h ASN 370 Cb 0.90 -0.23 -0.00 0.00 -2.08 0.00 0.00 38.32 36.90 2wc4 h ASN 370 CO -0.12 0.69 -1.22 -0.09 -2.08 0.00 0.00 177.43 174.61 2wc4 h ARG 371 N 1.16 0.21 -0.46 4.14 2.43 -1.70 -2.14 114.38 118.02 2wc4 h ARG 371 Ca 0.36 -0.36 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2wc4 h ARG 371 Cb -0.01 0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2wc4 h ARG 371 CO -0.10 1.16 0.24 0.82 -1.51 0.00 0.00 179.97 180.57 2wc4 h ILE 372 N 0.06 0.98 -0.61 1.20 2.04 -0.78 -0.66 117.51 119.74 2wc4 h ILE 372 Ca -0.12 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2wc4 h ILE 372 Cb 1.94 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 2wc4 h ILE 372 CO 0.18 0.09 0.26 0.44 0.00 0.00 0.00 178.15 179.12 2wc4 h ASP 373 N 0.48 0.83 -0.01 1.72 3.32 -0.92 0.38 116.42 122.20 2wc4 h ASP 373 Ca 0.20 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2wc4 h ASP 373 Cb 0.09 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 2wc4 h ASP 373 CO -0.13 0.76 -0.00 0.22 -1.72 0.00 0.00 179.24 178.37 2wc4 h TYR 374 N 0.84 -0.00 0.04 4.55 5.03 -1.22 -2.01 116.97 124.20 2wc4 h TYR 374 Ca 0.20 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.51 2wc4 h TYR 374 Cb 0.18 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.46 2wc4 h TYR 374 CO 0.01 -0.00 -0.02 -0.07 -1.32 0.00 0.00 178.16 176.76 2wc4 h LEU 375 N 0.00 -0.04 -0.61 2.82 3.38 -0.78 -2.62 115.31 117.45 2wc4 h LEU 375 Ca 0.01 -0.29 0.13 0.00 0.09 0.00 0.00 57.88 57.82 2wc4 h LEU 375 Cb 0.01 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 40.66 2wc4 h LEU 375 CO -0.01 0.26 -0.04 0.50 0.09 0.00 0.00 178.44 179.25 2wc4 h LYS 376 N -0.35 0.08 -0.43 1.13 3.64 -0.97 0.17 116.57 119.84 2wc4 h LYS 376 Ca -0.01 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2wc4 h LYS 376 Cb 0.33 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2wc4 h LYS 376 CO 0.01 0.05 0.08 0.00 -2.27 0.00 0.00 179.45 177.32 2wc4 h ALA 377 N 1.57 1.33 0.01 5.00 0.00 -1.24 -0.83 119.26 125.10 2wc4 h ALA 377 Ca 0.31 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.78 2wc4 h ALA 377 Cb 0.50 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 18.13 2wc4 h ALA 377 CO -0.55 0.47 -0.99 0.45 0.00 0.00 0.00 179.25 178.63 2wc4 h HIS 378 N 0.63 0.97 -0.79 0.00 3.86 -0.96 -2.84 115.15 116.02 2wc4 h HIS 378 Ca 0.14 -0.54 0.01 0.00 -1.16 0.00 0.00 60.37 58.82 2wc4 h HIS 378 Cb 0.28 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.61 2wc4 h HIS 378 CO 0.01 1.37 0.52 0.82 0.86 0.00 0.00 177.93 181.52 2wc4 h ILE 379 N 0.29 1.21 -0.60 2.45 2.04 -0.52 -1.28 117.51 121.10 2wc4 h ILE 379 Ca -0.13 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 2wc4 h ILE 379 Cb 1.65 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2wc4 h ILE 379 CO 0.19 0.20 0.30 1.23 0.00 0.00 0.00 178.15 180.07 2wc4 h GLY 380 N 1.08 0.92 1.63 5.37 0.00 -1.14 -1.61 103.07 109.31 2wc4 h GLY 380 Ca 0.29 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 2wc4 h GLY 380 CO -0.06 0.43 -0.36 1.46 0.00 0.00 0.00 176.54 178.01 2wc4 h GLN 381 N 0.82 0.42 -0.69 4.80 1.08 -1.17 -1.46 115.11 118.92 2wc4 h GLN 381 Ca 0.21 -0.19 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 2wc4 h GLN 381 Cb 0.10 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.49 2wc4 h GLN 381 CO -0.03 0.72 0.24 0.00 -0.95 0.00 0.00 178.83 178.81 2wc4 h ALA 382 N 1.27 1.12 -0.35 3.87 0.00 -0.96 -1.69 119.26 122.52 2wc4 h ALA 382 Ca 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2wc4 h ALA 382 Cb 0.79 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2wc4 h ALA 382 CO 0.06 0.61 0.12 2.35 0.00 0.00 0.00 179.25 182.40 2wc4 h TRP 383 N 1.01 0.55 -0.65 0.00 7.01 -0.73 -1.57 115.95 121.57 2wc4 h TRP 383 Ca 0.23 -0.05 0.07 0.00 2.11 0.00 0.00 58.89 61.25 2wc4 h TRP 383 Cb 0.25 -0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 27.09 2wc4 h TRP 383 CO 0.02 0.52 0.33 -0.22 -2.79 0.00 0.00 178.44 176.31 2wc4 h LYS 384 N 0.42 0.59 -0.92 2.65 3.64 -0.93 -0.88 116.57 121.13 2wc4 h LYS 384 Ca 0.11 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2wc4 h LYS 384 Cb 0.22 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 2wc4 h LYS 384 CO -0.01 0.39 0.60 0.00 -2.27 0.00 0.00 179.45 178.17 2wc4 h ALA 385 N 1.37 1.20 -0.91 5.00 0.00 -0.96 -1.34 119.26 123.62 2wc4 h ALA 385 Ca 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2wc4 h ALA 385 Cb 0.25 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2wc4 h ALA 385 CO -0.22 0.51 0.52 0.82 0.00 0.00 0.00 179.25 180.88 2wc4 h ILE 386 N 1.20 1.25 0.00 0.00 2.04 -0.50 -1.62 117.51 119.88 2wc4 h ILE 386 Ca 0.36 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.57 2wc4 h ILE 386 Cb -0.05 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.02 2wc4 h ILE 386 CO -0.10 0.28 -0.26 1.56 0.00 0.00 0.00 178.15 179.63 2wc4 h GLN 387 N 1.26 0.00 -0.66 2.37 1.08 -0.07 -1.97 115.11 117.12 2wc4 h GLN 387 Ca 0.32 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 2wc4 h GLN 387 Cb -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2wc4 h GLN 387 CO -0.06 0.26 0.00 0.39 -0.95 0.00 0.00 178.83 178.47 2wc4 n GLU 388 N -4.08 3.92 0.00 1.46 1.02 -0.66 -4.93 120.64 117.38 2wc4 n GLU 388 Ca -0.02 -2.46 0.00 0.00 -0.02 0.00 0.00 57.16 54.66 2wc4 n GLU 388 Cb 0.32 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 2wc4 n GLU 388 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wc4 n GLY 389 N 0.59 0.53 3.71 0.62 0.00 -0.74 -5.05 105.19 104.86 2wc4 n GLY 389 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2wc4 n GLY 389 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wc4 s VAL 390 N -2.00 4.02 -1.37 1.61 1.01 -0.91 -4.89 120.40 117.87 2wc4 s VAL 390 Ca 0.00 1.46 -0.09 0.00 0.00 0.00 0.00 61.98 63.34 2wc4 s VAL 390 Cb 0.00 -3.93 -0.12 0.00 0.00 0.00 0.00 36.38 32.33 2wc4 s VAL 390 CO 0.00 0.12 3.04 -0.81 0.00 0.00 0.00 175.10 177.45 2wc4 n PRO 391 N 3.89 3.41 -2.48 2.72 -0.04 -1.26 -4.42 135.00 136.82 2wc4 n PRO 391 Ca 0.09 -2.00 -0.43 0.00 -0.04 0.00 0.00 63.50 61.12 2wc4 n PRO 391 Cb 0.46 -2.67 -0.02 0.00 -0.04 0.00 0.00 33.50 31.23 2wc4 n PRO 391 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2wc4 s LEU 392 N 0.14 4.03 -0.01 1.53 2.96 -1.26 -1.49 118.68 124.59 2wc4 s LEU 392 Ca 0.69 1.39 0.19 0.00 -0.22 0.00 0.00 54.13 56.18 2wc4 s LEU 392 Cb 0.20 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 43.11 2wc4 s LEU 392 CO -0.05 -0.88 0.66 0.29 -1.32 0.00 0.00 176.35 175.05 2wc4 n LYS 393 N 6.86 0.74 -3.64 1.98 4.76 0.03 -4.95 118.16 123.95 2wc4 n LYS 393 Ca 0.14 -0.06 -0.01 0.00 -2.87 0.00 0.00 58.31 55.50 2wc4 n LYS 393 Cb 0.46 -1.41 -0.01 0.00 -1.84 0.00 0.00 35.03 32.23 2wc4 n LYS 393 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2wc4 s GLY 394 N -3.30 -0.36 -0.06 0.72 0.00 -1.26 -1.62 107.32 101.44 2wc4 s GLY 394 Ca 0.02 0.75 -0.03 0.00 0.00 0.00 0.00 44.72 45.46 2wc4 s GLY 394 CO 0.78 0.18 0.14 -0.47 0.00 0.00 0.00 173.10 173.73 2wc4 s TYR 395 N -2.64 -0.15 -0.12 1.90 6.14 -0.15 -1.53 117.35 120.80 2wc4 s TYR 395 Ca 0.12 0.48 0.03 0.00 0.64 0.00 0.00 57.07 58.34 2wc4 s TYR 395 Cb 0.02 -0.11 0.00 0.00 0.42 0.00 0.00 41.96 42.29 2wc4 s TYR 395 CO -0.03 -0.17 -0.21 -0.06 0.64 0.00 0.00 175.55 175.71 2wc4 s PHE 396 N 1.29 2.64 -0.00 4.97 0.40 0.71 -0.57 117.98 127.41 2wc4 s PHE 396 Ca -0.08 -1.10 -0.30 0.00 -0.60 0.00 0.00 56.93 54.85 2wc4 s PHE 396 Cb -0.12 -1.78 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 2wc4 s PHE 396 CO -0.06 -0.47 1.03 0.08 0.70 0.00 0.00 175.22 176.51 2wc4 s VAL 397 N 0.54 4.68 -0.33 -0.44 1.01 -0.57 -2.34 120.40 122.95 2wc4 s VAL 397 Ca -0.13 1.93 -0.16 0.00 0.00 0.00 0.00 61.98 63.61 2wc4 s VAL 397 Cb -0.17 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 2wc4 s VAL 397 CO 0.04 0.13 0.43 0.86 0.00 0.00 0.00 175.10 176.56 2wc4 s TRP 398 N 1.16 3.20 0.20 5.22 -0.11 -0.35 -1.14 118.94 127.12 2wc4 s TRP 398 Ca 0.53 0.14 0.01 0.00 1.22 0.00 0.00 56.10 58.00 2wc4 s TRP 398 Cb -0.22 -2.76 -0.05 0.00 -1.50 0.00 0.00 33.47 28.94 2wc4 s TRP 398 CO 0.27 -0.44 0.05 0.45 -4.62 0.00 0.00 176.95 172.65 2wc4 s SER 399 N 1.73 1.06 0.20 5.86 0.15 -0.52 -4.00 113.70 118.18 2wc4 s SER 399 Ca 0.15 -1.26 -0.10 0.00 0.70 0.00 0.00 55.95 55.44 2wc4 s SER 399 Cb -0.16 0.16 0.24 0.00 -1.71 0.00 0.00 66.02 64.55 2wc4 s SER 399 CO 0.12 -0.66 1.77 0.25 1.20 0.00 0.00 173.24 175.92 2wc4 h LEU 400 N 2.60 0.34 -8.44 3.45 5.85 -1.66 -0.33 115.31 117.12 2wc4 h LEU 400 Ca -0.37 0.06 -0.53 0.00 0.84 0.00 0.00 57.88 57.87 2wc4 h LEU 400 Cb 1.22 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 41.99 2wc4 h LEU 400 CO 0.61 0.21 -0.83 -0.76 -0.34 0.00 0.00 178.44 177.34 2wc4 s LEU 401 N -10.33 2.14 0.39 2.25 1.43 -1.26 -1.07 118.68 112.22 2wc4 s LEU 401 Ca -0.13 -0.46 -0.26 0.00 -1.03 0.00 0.00 54.13 52.25 2wc4 s LEU 401 Cb 0.16 -0.85 -0.11 0.00 0.03 0.00 0.00 46.19 45.42 2wc4 s LEU 401 CO 0.75 0.13 1.13 0.47 0.23 0.00 0.00 176.35 179.06 2wc4 n ASP 402 N 2.02 1.87 -1.25 2.29 8.00 -0.85 -3.92 116.55 124.71 2wc4 n ASP 402 Ca -0.17 1.11 -0.01 0.00 0.71 0.00 0.00 54.79 56.42 2wc4 n ASP 402 Cb 0.54 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 2wc4 n ASP 402 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2wc4 n ASN 403 N 0.58 -0.27 -4.58 -2.24 2.04 -1.26 -4.76 115.26 104.77 2wc4 n ASN 403 Ca 0.08 -1.23 -0.42 0.00 -0.44 0.00 0.00 54.58 52.58 2wc4 n ASN 403 Cb 0.38 0.47 -0.03 0.00 -2.53 0.00 0.00 39.78 38.07 2wc4 n ASN 403 CO 0.00 0.00 0.00 0.12 -0.44 0.00 0.00 177.26 176.94 2wc4 s PHE 404 N -7.16 2.21 -1.13 -2.53 5.36 -0.78 -4.56 117.98 109.40 2wc4 s PHE 404 Ca 0.03 0.54 -0.06 0.00 -0.96 0.00 0.00 56.93 56.48 2wc4 s PHE 404 Cb -0.01 -4.33 0.06 0.00 -0.34 0.00 0.00 43.02 38.40 2wc4 s PHE 404 CO 0.02 -2.08 2.60 -1.91 -1.46 0.00 0.00 175.22 172.39 2wc4 n GLU 405 N 8.59 3.93 0.00 10.12 4.07 -0.25 -4.66 120.64 142.45 2wc4 n GLU 405 Ca 0.15 -2.95 0.00 0.00 -0.06 0.00 0.00 57.16 54.29 2wc4 n GLU 405 Cb 0.49 -2.53 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 2wc4 n GLU 405 CO 0.00 0.00 0.00 0.91 -0.06 0.00 0.00 177.13 177.98 2wc4 n TRP 406 N 1.86 0.00 0.50 4.31 7.02 -1.26 -0.94 117.44 128.93 2wc4 n TRP 406 Ca 0.61 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 57.16 2wc4 n TRP 406 Cb 0.34 0.00 0.29 0.00 -2.42 0.00 0.00 31.31 29.52 2wc4 n TRP 406 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wc4 n ALA 407 N 10.43 1.65 0.85 6.99 0.00 -1.26 -1.26 120.51 137.91 2wc4 n ALA 407 Ca 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.51 2wc4 n ALA 407 Cb 0.00 -1.21 0.15 0.00 0.00 0.00 0.00 19.45 18.39 2wc4 n ALA 407 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wc4 n GLU 408 N -1.43 0.10 0.00 0.00 -0.58 -0.12 -1.18 120.64 117.43 2wc4 n GLU 408 Ca 0.04 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2wc4 n GLU 408 Cb 0.14 -1.55 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 2wc4 n GLU 408 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wc4 n GLY 409 N 1.45 0.62 0.09 0.62 0.00 -0.39 -3.01 105.19 104.58 2wc4 n GLY 409 Ca 0.04 -0.76 0.15 0.00 0.00 0.00 0.00 46.02 45.45 2wc4 n GLY 409 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wc4 n TYR 410 N 0.00 0.00 0.21 1.61 4.01 -1.26 -1.09 117.16 120.64 2wc4 n TYR 410 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 2wc4 n TYR 410 Cb 0.00 -0.03 0.30 0.00 -0.31 0.00 0.00 39.34 39.30 2wc4 n TYR 410 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2wc4 n SER 411 N -0.81 0.25 -4.03 7.72 3.41 -1.16 -4.51 113.62 114.50 2wc4 n SER 411 Ca 0.22 0.60 -0.30 0.00 -0.26 0.00 0.00 58.87 59.12 2wc4 n SER 411 Cb 0.17 -0.64 -0.16 0.00 -0.26 0.00 0.00 64.21 63.32 2wc4 n SER 411 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wc4 s LYS 412 N -3.19 2.38 -0.30 4.33 -0.14 -1.26 -5.05 119.74 116.51 2wc4 s LYS 412 Ca 0.02 -0.60 -0.10 0.00 -1.36 0.00 0.00 55.97 53.93 2wc4 s LYS 412 Cb 0.05 -2.17 -0.01 0.00 -1.68 0.00 0.00 37.83 34.02 2wc4 s LYS 412 CO 0.17 -0.24 0.15 1.03 -0.76 0.00 0.00 175.35 175.70 2wc4 s ARG 413 N 1.46 3.45 0.00 1.68 0.52 -1.26 -4.58 118.95 120.21 2wc4 s ARG 413 Ca 0.05 -0.64 0.10 0.00 -0.52 0.00 0.00 55.73 54.71 2wc4 s ARG 413 Cb -0.13 -3.55 0.05 0.00 0.52 0.00 0.00 34.95 31.84 2wc4 s ARG 413 CO -0.11 -0.36 0.74 1.19 0.02 0.00 0.00 175.30 176.78 2wc4 n PHE 414 N 4.98 0.00 -1.39 -0.53 3.01 -1.26 -3.16 117.46 119.11 2wc4 n PHE 414 Ca -0.14 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.00 2wc4 n PHE 414 Cb 0.50 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.05 2wc4 n PHE 414 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2wc4 s GLY 415 N -1.03 1.81 0.00 1.37 0.00 -1.25 -1.44 107.32 106.79 2wc4 s GLY 415 Ca 0.10 0.35 0.25 0.00 0.00 0.00 0.00 44.72 45.42 2wc4 s GLY 415 CO 0.17 0.70 1.33 0.29 0.00 0.00 0.00 173.10 175.59 2wc4 n ILE 416 N -3.22 0.00 -4.81 0.90 -5.35 -0.13 -4.77 119.36 101.97 2wc4 n ILE 416 Ca 0.09 -0.31 -0.29 0.00 -0.27 0.00 0.00 62.75 61.98 2wc4 n ILE 416 Cb 0.53 1.06 -0.17 0.00 -1.74 0.00 0.00 39.64 39.31 2wc4 n ILE 416 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2wc4 s VAL 417 N -2.27 1.62 0.22 7.28 1.01 -0.24 -1.07 120.40 126.95 2wc4 s VAL 417 Ca 0.25 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 2wc4 s VAL 417 Cb 0.19 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 2wc4 s VAL 417 CO 0.45 0.46 0.89 -0.47 0.00 0.00 0.00 175.10 176.42 2wc4 s TYR 418 N 0.61 3.93 -0.20 5.22 6.14 0.81 -2.01 117.35 131.86 2wc4 s TYR 418 Ca -0.14 1.81 -0.01 0.00 0.64 0.00 0.00 57.07 59.37 2wc4 s TYR 418 Cb -0.16 -2.90 0.01 0.00 0.42 0.00 0.00 41.96 39.32 2wc4 s TYR 418 CO 0.04 0.45 -0.13 0.08 0.64 0.00 0.00 175.55 176.64 2wc4 s VAL 419 N -1.22 2.59 -0.54 3.14 1.01 -1.26 -0.69 120.40 123.43 2wc4 s VAL 419 Ca 0.40 -0.81 -0.24 0.00 0.00 0.00 0.00 61.98 61.33 2wc4 s VAL 419 Cb -0.24 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.02 2wc4 s VAL 419 CO 0.29 0.45 0.95 -0.62 0.00 0.00 0.00 175.10 176.18 2wc4 s ASP 420 N 1.35 6.37 0.19 3.32 -1.08 -0.57 -4.90 116.67 121.35 2wc4 s ASP 420 Ca 0.04 -0.26 0.23 0.00 -0.52 0.00 0.00 52.55 52.04 2wc4 s ASP 420 Cb -0.14 -2.44 0.90 0.00 -1.46 0.00 0.00 42.92 39.78 2wc4 s ASP 420 CO -0.09 -1.21 1.69 -1.22 0.52 0.00 0.00 175.17 174.86 2wc4 n TYR 421 N 7.46 0.64 0.22 -5.34 4.01 -1.26 0.11 117.16 123.01 2wc4 n TYR 421 Ca 0.03 0.24 0.10 0.00 -0.16 0.00 0.00 57.90 58.11 2wc4 n TYR 421 Cb 0.48 -0.88 0.44 0.00 -0.31 0.00 0.00 39.34 39.06 2wc4 n TYR 421 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2wc4 h SER 422 N 0.00 0.00 0.00 7.72 4.64 -1.98 -3.36 113.55 120.58 2wc4 h SER 422 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wc4 h SER 422 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2wc4 h SER 422 CO 0.00 0.20 0.00 0.35 -0.87 0.00 0.00 176.83 176.51 2wc4 n THR 423 N -3.32 0.00 -0.81 2.95 -2.24 -0.84 -5.00 114.28 105.01 2wc4 n THR 423 Ca 0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2wc4 n THR 423 Cb 0.44 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 2wc4 n THR 423 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wc4 n GLN 424 N -0.33 -0.30 -1.67 -0.78 1.13 0.31 -4.98 117.38 110.75 2wc4 n GLN 424 Ca 0.00 0.08 -0.45 0.00 -1.94 0.00 0.00 57.00 54.69 2wc4 n GLN 424 Cb 0.01 -3.70 -0.02 0.00 0.11 0.00 0.00 30.24 26.64 2wc4 n GLN 424 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2wc4 n LYS 425 N -1.68 2.02 -3.70 -1.09 4.81 -1.22 -4.73 118.16 112.56 2wc4 n LYS 425 Ca 0.00 0.72 -0.37 0.00 -0.87 0.00 0.00 58.31 57.79 2wc4 n LYS 425 Cb 0.08 -2.36 -0.07 0.00 0.02 0.00 0.00 35.03 32.70 2wc4 n LYS 425 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wc4 s ARG 426 N -0.56 3.87 -0.22 1.64 3.00 -1.26 -1.52 118.95 123.91 2wc4 s ARG 426 Ca 0.67 -0.00 -0.00 0.00 0.00 0.00 0.00 55.73 56.39 2wc4 s ARG 426 Cb -0.64 -3.30 0.06 0.00 0.00 0.00 0.00 34.95 31.06 2wc4 s ARG 426 CO 0.51 0.53 -0.03 0.42 0.00 0.00 0.00 175.30 176.73 2wc4 s ILE 427 N -0.39 1.24 0.07 1.52 1.01 0.13 -4.96 121.20 119.82 2wc4 s ILE 427 Ca 0.15 -0.98 -0.33 0.00 0.00 0.00 0.00 60.65 59.50 2wc4 s ILE 427 Cb -0.13 -1.55 -0.12 0.00 0.01 0.00 0.00 42.46 40.68 2wc4 s ILE 427 CO 0.04 -0.09 1.80 0.52 0.00 0.00 0.00 174.94 177.21 2wc4 n VAL 428 N 4.79 0.36 -1.69 2.92 0.31 -1.26 -0.13 118.33 123.63 2wc4 n VAL 428 Ca -0.11 -0.07 -0.29 0.00 -0.01 0.00 0.00 64.34 63.86 2wc4 n VAL 428 Cb 0.45 -1.93 0.11 0.00 -0.91 0.00 0.00 33.84 31.56 2wc4 n VAL 428 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2wc4 s LYS 429 N 2.77 1.63 0.39 5.55 1.02 -0.24 -4.54 119.74 126.33 2wc4 s LYS 429 Ca 0.85 0.26 0.09 0.00 0.02 0.00 0.00 55.97 57.18 2wc4 s LYS 429 Cb -0.58 -1.90 0.78 0.00 -0.52 0.00 0.00 37.83 35.61 2wc4 s LYS 429 CO 0.42 -1.86 1.94 -0.44 -0.92 0.00 0.00 175.35 174.49 2wc4 h ASP 430 N -1.25 0.29 -0.03 2.83 3.32 -1.31 -0.88 116.42 119.40 2wc4 h ASP 430 Ca -0.48 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.51 2wc4 h ASP 430 Cb 1.32 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 2wc4 h ASP 430 CO 0.63 0.39 -0.01 0.77 -1.72 0.00 0.00 179.24 179.31 2wc4 h SER 431 N 0.30 0.11 0.02 6.45 4.64 -1.82 -0.58 113.55 122.67 2wc4 h SER 431 Ca 0.07 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2wc4 h SER 431 Cb 0.30 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2wc4 h SER 431 CO 0.01 0.14 -0.01 1.23 -0.87 0.00 0.00 176.83 177.34 2wc4 h GLY 432 N 0.29 -0.02 0.72 -0.77 0.00 -1.23 0.23 103.07 102.29 2wc4 h GLY 432 Ca 0.03 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.43 2wc4 h GLY 432 CO 0.00 -0.01 0.45 -0.97 0.00 0.00 0.00 176.54 176.01 2wc4 h TYR 433 N -0.40 0.83 -0.07 5.60 0.05 -1.26 0.28 116.97 122.00 2wc4 h TYR 433 Ca -0.00 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 2wc4 h TYR 433 Cb 0.38 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.86 2wc4 h TYR 433 CO 0.05 0.42 0.03 2.35 -1.05 0.00 0.00 178.16 179.96 2wc4 h TRP 434 N 0.83 0.11 -0.90 4.88 7.01 -1.02 -2.53 115.95 124.34 2wc4 h TRP 434 Ca 0.33 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.33 2wc4 h TRP 434 Cb 0.16 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.15 2wc4 h TRP 434 CO -0.05 0.20 0.59 -0.92 -2.79 0.00 0.00 178.44 175.47 2wc4 h TYR 435 N -0.02 1.13 -0.89 2.65 3.20 -0.33 -0.05 116.97 122.66 2wc4 h TYR 435 Ca 0.03 0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.07 2wc4 h TYR 435 Cb 0.14 -0.38 -0.09 0.00 1.54 0.00 0.00 36.73 37.93 2wc4 h TYR 435 CO -0.03 0.71 0.48 1.03 -1.64 0.00 0.00 178.16 178.71 2wc4 h SER 436 N 1.21 0.61 -0.30 -2.11 0.87 -0.69 0.41 113.55 113.56 2wc4 h SER 436 Ca 0.33 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.93 2wc4 h SER 436 Cb -0.14 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 2wc4 h SER 436 CO -0.07 0.26 0.01 -1.13 -0.53 0.00 0.00 176.83 175.37 2wc4 h ASN 437 N 0.69 0.50 -0.37 6.23 -1.24 -0.63 -1.42 115.58 119.33 2wc4 h ASN 437 Ca 0.48 -0.30 0.06 0.00 0.71 0.00 0.00 56.30 57.26 2wc4 h ASN 437 Cb 0.66 -0.14 -0.06 0.00 0.73 0.00 0.00 38.32 39.52 2wc4 h ASN 437 CO -0.35 0.68 0.04 0.58 -1.29 0.00 0.00 177.43 177.08 2wc4 h VAL 438 N 0.32 0.76 -0.02 2.57 2.07 -0.06 0.79 116.25 122.68 2wc4 h VAL 438 Ca 0.09 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.58 2wc4 h VAL 438 Cb 0.41 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2wc4 h VAL 438 CO 0.01 0.03 -0.11 0.58 0.02 0.00 0.00 177.57 178.10 2wc4 h VAL 439 N 0.15 0.72 -0.32 2.57 2.07 -0.82 -0.25 116.25 120.36 2wc4 h VAL 439 Ca 0.18 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.76 2wc4 h VAL 439 Cb 0.24 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 2wc4 h VAL 439 CO -0.27 0.00 -0.04 0.11 0.02 0.00 0.00 177.57 177.39 2wc4 h LYS 440 N -0.18 0.05 0.00 1.57 6.56 -0.38 -1.48 116.57 122.72 2wc4 h LYS 440 Ca 0.05 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 2wc4 h LYS 440 Cb 0.24 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.89 2wc4 h LYS 440 CO -0.12 0.03 0.00 0.09 -2.06 0.00 0.00 179.45 177.39 2wc4 n ASN 441 N -5.21 0.00 -4.19 0.86 3.02 0.19 -4.91 115.26 105.02 2wc4 n ASN 441 Ca 0.01 -1.01 -0.35 0.00 -0.03 0.00 0.00 54.58 53.20 2wc4 n ASN 441 Cb 0.18 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.32 2wc4 n ASN 441 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2wc4 n ASN 442 N -0.98 -2.99 0.00 6.41 5.15 -0.16 -4.81 115.26 117.89 2wc4 n ASN 442 Ca 0.22 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.19 2wc4 n ASN 442 Cb 0.10 -2.82 0.00 0.00 -0.53 0.00 0.00 39.78 36.54 2wc4 n ASN 442 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wc4 n GLY 443 N -1.49 -1.12 3.89 8.20 0.00 -0.88 -0.68 105.19 113.11 2wc4 n GLY 443 Ca 0.03 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 2wc4 n GLY 443 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wc4 s LEU 444 N 0.00 4.31 0.00 0.99 1.43 -0.46 -4.46 118.68 120.49 2wc4 s LEU 444 Ca 0.00 0.30 0.18 0.00 -1.03 0.00 0.00 54.13 53.57 2wc4 s LEU 444 Cb 0.00 -2.68 0.14 0.00 0.03 0.00 0.00 46.19 43.68 2wc4 s LEU 444 CO 0.00 0.23 1.06 -1.84 0.23 0.00 0.00 176.35 176.03