#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wgg s GLN 3 N 0.00 1.98 0.40 -1.46 -0.21 -1.26 -5.12 119.66 113.99 2wgg s GLN 3 Ca 0.00 -0.69 -0.26 0.00 0.02 0.00 0.00 55.36 54.43 2wgg s GLN 3 Cb 0.00 -1.71 -0.09 0.00 1.00 0.00 0.00 33.01 32.21 2wgg s GLN 3 CO 0.00 0.28 1.33 -1.25 -2.12 0.00 0.00 175.29 173.53 2wgg s PRO 4 N -0.02 3.98 0.10 2.91 0.04 -1.26 -4.98 135.00 135.77 2wgg s PRO 4 Ca -0.04 2.22 -0.06 0.00 0.04 0.00 0.00 61.00 63.17 2wgg s PRO 4 Cb -0.12 -2.79 -0.02 0.00 0.04 0.00 0.00 34.50 31.61 2wgg s PRO 4 CO 0.03 -0.51 0.14 -1.54 0.04 0.00 0.00 177.00 175.16 2wgg s SER 5 N -0.64 0.21 0.32 6.66 1.04 -1.26 -4.81 113.70 115.22 2wgg s SER 5 Ca 0.56 -0.86 0.06 0.00 0.48 0.00 0.00 55.95 56.19 2wgg s SER 5 Cb -0.39 0.32 0.70 0.00 0.10 0.00 0.00 66.02 66.75 2wgg s SER 5 CO 0.51 -0.74 1.85 0.74 0.98 0.00 0.00 173.24 176.58 2wgg h THR 6 N 2.81 0.87 -0.15 2.02 2.02 -1.49 -1.09 112.91 117.90 2wgg h THR 6 Ca -0.34 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 2wgg h THR 6 Cb 1.19 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2wgg h THR 6 CO 0.57 0.15 0.09 0.00 0.37 0.00 0.00 175.52 176.70 2wgg h ALA 7 N 1.58 0.19 -0.33 6.16 0.00 -1.71 -3.12 119.26 122.02 2wgg h ALA 7 Ca 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2wgg h ALA 7 Cb 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2wgg h ALA 7 CO -0.24 -0.30 0.00 0.27 0.00 0.00 0.00 179.25 178.99 2wgg n ASN 8 N -4.95 2.19 0.00 0.00 0.23 -1.00 -4.90 115.26 106.83 2wgg n ASN 8 Ca -0.04 -2.10 0.00 0.00 -0.53 0.00 0.00 54.58 51.91 2wgg n ASN 8 Cb 0.05 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.44 2wgg n ASN 8 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wgg n GLY 9 N 0.88 0.47 0.27 4.83 0.00 -0.93 -4.86 105.19 105.86 2wgg n GLY 9 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 2wgg n GLY 9 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wgg h GLY 10 N 0.00 0.00 -4.43 -0.02 0.00 -1.50 -3.41 103.07 93.71 2wgg h GLY 10 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 2wgg h GLY 10 CO 0.00 0.00 -0.84 -1.36 0.00 0.00 0.00 176.54 174.34 2wgg s PHE 11 N -4.68 2.45 0.71 5.60 0.08 -1.15 -4.74 117.98 116.25 2wgg s PHE 11 Ca -0.04 -0.33 -0.16 0.00 0.12 0.00 0.00 56.93 56.52 2wgg s PHE 11 Cb 0.15 -1.45 0.02 0.00 -0.57 0.00 0.00 43.02 41.18 2wgg s PHE 11 CO 0.62 0.17 1.16 -0.35 -0.10 0.00 0.00 175.22 176.72 2wgg n PRO 12 N 1.76 0.66 -2.20 0.24 -0.04 -1.26 -4.56 135.00 129.60 2wgg n PRO 12 Ca -0.17 0.29 -0.42 0.00 -0.04 0.00 0.00 63.50 63.16 2wgg n PRO 12 Cb 0.52 -2.40 -0.03 0.00 -0.04 0.00 0.00 33.50 31.55 2wgg n PRO 12 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2wgg s SER 13 N -1.66 6.85 -0.13 3.54 0.15 -1.26 -4.92 113.70 116.27 2wgg s SER 13 Ca 0.77 2.30 0.01 0.00 0.70 0.00 0.00 55.95 59.73 2wgg s SER 13 Cb -0.35 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 61.40 2wgg s SER 13 CO 0.46 -0.63 -0.15 -0.69 1.20 0.00 0.00 173.24 173.43 2wgg s VAL 14 N 1.09 1.56 0.16 4.45 1.01 -1.26 -0.34 120.40 127.08 2wgg s VAL 14 Ca 0.64 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 62.06 2wgg s VAL 14 Cb -0.36 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2wgg s VAL 14 CO 0.30 0.45 -0.17 0.68 0.00 0.00 0.00 175.10 176.37 2wgg s VAL 15 N 1.16 2.81 -0.30 2.92 -7.23 0.32 -1.32 120.40 118.76 2wgg s VAL 15 Ca -0.02 -1.73 -0.19 0.00 -1.81 0.00 0.00 61.98 58.23 2wgg s VAL 15 Cb -0.14 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 2wgg s VAL 15 CO -0.05 -0.05 0.55 -0.69 -0.31 0.00 0.00 175.10 174.55 2wgg s VAL 16 N -1.52 5.01 -0.50 1.32 1.01 -0.06 -1.68 120.40 123.98 2wgg s VAL 16 Ca 0.21 0.73 0.17 0.00 0.00 0.00 0.00 61.98 63.09 2wgg s VAL 16 Cb -0.09 -3.92 -0.21 0.00 0.00 0.00 0.00 36.38 32.16 2wgg s VAL 16 CO 0.12 -0.06 0.58 0.35 0.00 0.00 0.00 175.10 176.09 2wgg n THR 17 N 5.31 0.00 -3.58 3.92 -2.24 0.67 -0.17 114.28 118.19 2wgg n THR 17 Ca -0.03 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 2wgg n THR 17 Cb 0.49 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 2wgg n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wgg s ALA 18 N -2.79 -1.88 0.03 6.98 0.00 -1.24 -4.74 121.76 118.11 2wgg s ALA 18 Ca 0.02 1.60 0.03 0.00 0.00 0.00 0.00 51.96 53.61 2wgg s ALA 18 Cb 0.12 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2wgg s ALA 18 CO 0.69 -0.32 -0.09 0.14 0.00 0.00 0.00 175.76 176.18 2wgg s VAL 19 N -0.76 0.69 -0.01 0.00 -7.23 -1.26 -1.01 120.40 110.82 2wgg s VAL 19 Ca -0.03 -0.79 -0.02 0.00 -1.81 0.00 0.00 61.98 59.33 2wgg s VAL 19 Cb -0.02 -0.66 -0.00 0.00 0.56 0.00 0.00 36.38 36.26 2wgg s VAL 19 CO 0.03 -0.10 0.04 0.28 -0.31 0.00 0.00 175.10 175.04 2wgg s THR 20 N -0.81 0.05 -0.27 5.32 -1.32 -0.17 -4.90 115.64 113.54 2wgg s THR 20 Ca -0.02 -0.38 -0.23 0.00 -1.21 0.00 0.00 61.69 59.84 2wgg s THR 20 Cb -0.07 -0.19 0.08 0.00 -1.51 0.00 0.00 72.50 70.81 2wgg s THR 20 CO 0.00 -0.21 0.75 0.00 -2.21 0.00 0.00 174.62 172.96 2wgg s ALA 21 N -0.64 -1.83 -0.04 11.08 0.00 -1.26 -1.27 121.76 127.80 2wgg s ALA 21 Ca -0.07 2.09 0.03 0.00 0.00 0.00 0.00 51.96 54.00 2wgg s ALA 21 Cb -0.04 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 2wgg s ALA 21 CO -0.00 -0.34 -0.10 -0.08 0.00 0.00 0.00 175.76 175.25 2wgg s THR 22 N 0.61 3.46 0.16 0.00 -1.32 -0.28 -3.53 115.64 114.74 2wgg s THR 22 Ca -0.02 -0.66 -0.07 0.00 -1.21 0.00 0.00 61.69 59.74 2wgg s THR 22 Cb -0.05 -2.42 -0.02 0.00 -1.51 0.00 0.00 72.50 68.50 2wgg s THR 22 CO -0.04 0.53 0.24 -0.89 -2.21 0.00 0.00 174.62 172.25 2wgg s THR 23 N -0.84 0.07 0.02 5.08 2.01 -0.56 -2.29 115.64 119.13 2wgg s THR 23 Ca 0.13 -1.52 0.31 0.00 0.31 0.00 0.00 61.69 60.93 2wgg s THR 23 Cb -0.11 -1.91 0.34 0.00 0.01 0.00 0.00 72.50 70.83 2wgg s THR 23 CO 0.03 -0.32 1.94 0.77 -0.69 0.00 0.00 174.62 176.35 2wgg h SER 24 N 2.61 0.00 0.07 3.53 4.64 -1.71 0.02 113.55 122.71 2wgg h SER 24 Ca -0.32 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.67 2wgg h SER 24 Cb 1.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.29 2wgg h SER 24 CO 0.50 0.00 -1.78 -0.38 -0.87 0.00 0.00 176.83 174.30 2wgg n ILE 25 N -2.71 1.68 -3.55 0.95 5.41 -1.26 -3.72 119.36 116.15 2wgg n ILE 25 Ca -0.00 -0.43 -0.12 0.00 1.00 0.00 0.00 62.75 63.20 2wgg n ILE 25 Cb 0.19 -1.83 -0.05 0.00 -0.71 0.00 0.00 39.64 37.23 2wgg n ILE 25 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2wgg s SER 26 N -6.98 -0.45 0.00 4.38 0.15 -1.20 -4.76 113.70 104.84 2wgg s SER 26 Ca -0.26 0.45 0.30 0.00 0.70 0.00 0.00 55.95 57.14 2wgg s SER 26 Cb 0.07 0.38 1.57 0.00 -1.71 0.00 0.00 66.02 66.33 2wgg s SER 26 CO 0.69 -0.44 2.06 -0.81 1.20 0.00 0.00 173.24 175.94 2wgg n PRO 27 N 0.68 0.54 -3.79 5.44 -0.04 -1.26 -1.50 135.00 135.07 2wgg n PRO 27 Ca -0.12 0.01 -0.37 0.00 -0.04 0.00 0.00 63.50 62.97 2wgg n PRO 27 Cb 0.58 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.41 2wgg n PRO 27 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2wgg s ASP 28 N -2.44 4.98 0.26 3.54 2.15 -1.26 -4.53 116.67 119.36 2wgg s ASP 28 Ca 0.32 -0.62 -0.02 0.00 0.43 0.00 0.00 52.55 52.66 2wgg s ASP 28 Cb 0.20 -1.85 0.53 0.00 -0.30 0.00 0.00 42.92 41.49 2wgg s ASP 28 CO 0.43 -0.15 1.73 -0.29 -0.17 0.00 0.00 175.17 176.73 2wgg h ILE 29 N 5.83 0.65 -0.23 4.11 6.09 -1.84 0.17 117.51 132.29 2wgg h ILE 29 Ca -0.33 -0.17 -0.05 0.00 -1.37 0.00 0.00 64.86 62.94 2wgg h ILE 29 Cb 1.13 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 38.52 2wgg h ILE 29 CO 0.60 0.09 -0.09 -0.33 -3.07 0.00 0.00 178.15 175.35 2wgg h GLU 30 N 0.49 0.36 0.06 2.19 4.39 -1.95 0.98 114.58 121.11 2wgg h GLU 30 Ca 0.45 -0.08 -0.27 0.00 0.34 0.00 0.00 59.36 59.80 2wgg h GLU 30 Cb 0.71 -0.05 0.02 0.00 -0.10 0.00 0.00 28.75 29.34 2wgg h GLU 30 CO -0.41 0.46 -1.10 0.77 -1.16 0.00 0.00 179.01 177.57 2wgg h SER 31 N 0.34 0.85 -0.59 1.42 0.02 -1.61 -0.59 113.55 113.39 2wgg h SER 31 Ca 0.07 -0.79 0.08 0.00 -0.84 0.00 0.00 61.79 60.31 2wgg h SER 31 Cb 0.37 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 2wgg h SER 31 CO 0.02 1.54 0.26 0.74 -1.14 0.00 0.00 176.83 178.25 2wgg h THR 32 N 0.26 0.84 0.01 -2.27 2.02 -0.60 0.27 112.91 113.44 2wgg h THR 32 Ca -0.16 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 2wgg h THR 32 Cb 1.77 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 2wgg h THR 32 CO 0.21 0.09 -0.00 -0.25 0.37 0.00 0.00 175.52 175.94 2wgg h TRP 33 N 0.47 -0.01 -0.91 3.16 -0.00 -0.72 0.16 115.95 118.11 2wgg h TRP 33 Ca 0.29 -0.00 0.05 0.00 -0.00 0.00 0.00 58.89 59.22 2wgg h TRP 33 Cb 0.29 0.00 -0.06 0.00 -0.00 0.00 0.00 29.16 29.40 2wgg h TRP 33 CO -0.14 0.02 0.58 0.87 -0.00 0.00 0.00 178.44 179.77 2wgg h LYS 34 N -0.03 1.07 -0.62 2.65 1.57 -0.99 -2.17 116.57 118.05 2wgg h LYS 34 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2wgg h LYS 34 Cb 0.03 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 2wgg h LYS 34 CO 0.00 0.71 0.38 0.78 -0.57 0.00 0.00 179.45 180.75 2wgg h GLY 35 N 1.10 0.90 0.98 3.86 0.00 -0.44 -0.60 103.07 108.86 2wgg h GLY 35 Ca 0.38 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2wgg h GLY 35 CO -0.14 0.35 0.27 1.41 0.00 0.00 0.00 176.54 178.44 2wgg h LEU 36 N 0.84 0.72 -1.13 3.11 3.38 -0.32 -0.89 115.31 121.02 2wgg h LEU 36 Ca 0.22 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2wgg h LEU 36 Cb -0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2wgg h LEU 36 CO -0.04 0.64 -0.25 -0.07 0.09 0.00 0.00 178.44 178.81 2wgg h LEU 37 N 0.75 0.30 -0.89 1.67 3.38 -1.09 -1.50 115.31 117.92 2wgg h LEU 37 Ca 0.19 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2wgg h LEU 37 Cb 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2wgg h LEU 37 CO -0.03 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.06 2wgg h ALA 38 N 1.47 1.00 0.00 1.53 0.00 -0.80 -3.41 119.26 119.05 2wgg h ALA 38 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wgg h ALA 38 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2wgg h ALA 38 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 2wgg n GLY 39 N -0.01 0.74 3.82 0.00 0.00 -0.56 -5.07 105.19 104.10 2wgg n GLY 39 Ca 0.02 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 2wgg n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wgg s GLU 40 N -1.53 3.91 -0.01 1.61 2.02 -0.39 -5.02 118.70 119.30 2wgg s GLU 40 Ca 0.00 1.17 0.01 0.00 0.02 0.00 0.00 54.97 56.17 2wgg s GLU 40 Cb 0.00 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 2wgg s GLU 40 CO 0.00 -0.31 0.01 0.45 0.02 0.00 0.00 175.26 175.43 2wgg s SER 41 N -2.39 5.18 0.00 -0.19 0.15 -1.26 -4.65 113.70 110.53 2wgg s SER 41 Ca 0.63 0.01 0.25 0.00 0.70 0.00 0.00 55.95 57.55 2wgg s SER 41 Cb -0.12 -1.37 0.51 0.00 -1.71 0.00 0.00 66.02 63.33 2wgg s SER 41 CO 0.22 0.28 1.41 0.61 1.20 0.00 0.00 173.24 176.97 2wgg n GLY 42 N 1.41 -1.01 3.74 9.45 0.00 -0.09 -4.88 105.19 113.81 2wgg n GLY 42 Ca -0.15 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 2wgg n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wgg s ILE 43 N -2.84 4.84 0.35 -0.61 -1.09 -1.26 -4.36 121.20 116.24 2wgg s ILE 43 Ca 0.15 1.55 0.07 0.00 -2.23 0.00 0.00 60.65 60.19 2wgg s ILE 43 Cb 0.18 -4.08 -0.03 0.00 -1.58 0.00 0.00 42.46 36.95 2wgg s ILE 43 CO 0.66 0.33 0.25 0.00 -1.23 0.00 0.00 174.94 174.95 2wgg n HIS 44 N 3.10 -0.58 -2.52 3.97 1.44 -0.47 -3.95 115.22 116.21 2wgg n HIS 44 Ca -0.02 -2.75 -0.40 0.00 -2.01 0.00 0.00 57.72 52.54 2wgg n HIS 44 Cb 0.51 0.22 -0.04 0.00 0.12 0.00 0.00 29.99 30.79 2wgg n HIS 44 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wgg s ALA 45 N -3.29 3.39 0.02 1.59 0.00 -1.26 -1.31 121.76 120.89 2wgg s ALA 45 Ca 0.35 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 2wgg s ALA 45 Cb 0.02 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2wgg s ALA 45 CO 0.25 -0.12 1.33 -0.51 0.00 0.00 0.00 175.76 176.71 2wgg s LEU 46 N -1.18 4.33 -0.15 0.00 1.43 0.02 -4.86 118.68 118.26 2wgg s LEU 46 Ca 0.45 2.07 0.19 0.00 -1.03 0.00 0.00 54.13 55.81 2wgg s LEU 46 Cb -0.31 -3.57 -0.27 0.00 0.03 0.00 0.00 46.19 42.07 2wgg s LEU 46 CO 0.39 -0.64 0.18 -0.62 0.23 0.00 0.00 176.35 175.88 2wgg n GLU 47 N 4.90 0.70 -1.61 1.70 -0.58 -1.26 -4.92 120.64 119.57 2wgg n GLU 47 Ca 0.12 -0.06 -0.63 0.00 -0.42 0.00 0.00 57.16 56.17 2wgg n GLU 47 Cb 0.44 -1.52 -0.09 0.00 -0.57 0.00 0.00 31.44 29.71 2wgg n GLU 47 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2wgg n ASP 48 N -2.61 0.68 -0.39 1.62 8.00 -1.26 -4.72 116.55 117.86 2wgg n ASP 48 Ca -0.25 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.40 2wgg n ASP 48 Cb 1.00 -0.88 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 2wgg n ASP 48 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wgg n GLU 49 N 2.88 0.54 0.01 -1.24 -0.58 -1.26 -1.48 120.64 119.51 2wgg n GLU 49 Ca 0.26 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 57.13 2wgg n GLU 49 Cb -0.00 -1.21 0.42 0.00 -0.57 0.00 0.00 31.44 30.08 2wgg n GLU 49 CO 0.00 0.00 0.00 1.97 -0.48 0.00 0.00 177.13 178.62 2wgg n PHE 50 N 0.08 0.12 -0.03 -0.32 1.16 -1.26 -2.71 117.46 114.49 2wgg n PHE 50 Ca 0.00 0.03 -0.15 0.00 -1.87 0.00 0.00 57.45 55.47 2wgg n PHE 50 Cb 0.11 -0.45 -0.10 0.00 -1.61 0.00 0.00 39.48 37.42 2wgg n PHE 50 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 2wgg h VAL 51 N 0.00 1.48 -0.20 1.97 2.07 -1.59 -0.54 116.25 119.43 2wgg h VAL 51 Ca 0.00 -1.72 -0.13 0.00 0.82 0.00 0.00 66.70 65.67 2wgg h VAL 51 Cb 0.54 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2wgg h VAL 51 CO 0.00 0.48 -0.39 0.71 0.02 0.00 0.00 177.57 178.39 2wgg h THR 52 N -0.38 1.33 -0.72 2.57 1.35 -1.80 0.06 112.91 115.31 2wgg h THR 52 Ca -0.02 -1.62 0.14 0.00 -0.55 0.00 0.00 66.41 64.36 2wgg h THR 52 Cb 0.89 1.86 -0.09 0.00 -1.73 0.00 0.00 68.15 69.08 2wgg h THR 52 CO 0.04 0.50 0.27 0.50 -0.25 0.00 0.00 175.52 176.58 2wgg h LYS 53 N 0.29 0.39 -0.40 4.72 3.64 -1.54 -2.46 116.57 121.22 2wgg h LYS 53 Ca 0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2wgg h LYS 53 Cb 0.99 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2wgg h LYS 53 CO 0.09 0.26 0.00 0.91 -2.27 0.00 0.00 179.45 178.44 2wgg n TRP 54 N -5.03 0.53 -3.27 1.91 7.02 -0.21 -5.00 117.44 113.39 2wgg n TRP 54 Ca 0.13 -0.41 -0.24 0.00 -1.02 0.00 0.00 57.50 55.97 2wgg n TRP 54 Cb 0.40 -0.01 0.01 0.00 -2.42 0.00 0.00 31.31 29.28 2wgg n TRP 54 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 2wgg n ASP 55 N 0.92 -3.89 -4.77 -0.99 2.03 -0.04 -4.87 116.55 104.94 2wgg n ASP 55 Ca 0.15 -0.50 -0.39 0.00 0.52 0.00 0.00 54.79 54.57 2wgg n ASP 55 Cb 0.48 -1.22 -0.06 0.00 -0.72 0.00 0.00 41.12 39.60 2wgg n ASP 55 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2wgg s LEU 56 N -3.29 4.48 0.38 -2.67 1.43 -0.92 -4.98 118.68 113.10 2wgg s LEU 56 Ca 0.12 1.30 0.06 0.00 -1.03 0.00 0.00 54.13 54.59 2wgg s LEU 56 Cb -0.01 -3.02 0.74 0.00 0.03 0.00 0.00 46.19 43.93 2wgg s LEU 56 CO 0.69 0.15 1.95 0.00 0.23 0.00 0.00 176.35 179.37 2wgg h ALA 57 N 5.17 1.53 -3.00 4.21 0.00 -1.93 -3.41 119.26 121.84 2wgg h ALA 57 Ca -0.46 -0.13 -0.63 0.00 0.00 0.00 0.00 54.91 53.68 2wgg h ALA 57 Cb 1.21 -0.14 -0.16 0.00 0.00 0.00 0.00 17.79 18.70 2wgg h ALA 57 CO 0.68 0.35 -0.52 0.08 0.00 0.00 0.00 179.25 179.84 2wgg s VAL 58 N -5.12 5.30 -0.12 0.00 1.01 -1.26 -4.84 120.40 115.37 2wgg s VAL 58 Ca -0.07 0.16 0.15 0.00 0.00 0.00 0.00 61.98 62.22 2wgg s VAL 58 Cb 0.16 -3.50 0.34 0.00 0.00 0.00 0.00 36.38 33.38 2wgg s VAL 58 CO 0.74 0.30 1.16 0.29 0.00 0.00 0.00 175.10 177.60 2wgg n LYS 59 N 4.66 0.97 -4.19 2.72 5.02 -1.26 -5.03 118.16 121.06 2wgg n LYS 59 Ca -0.15 -2.56 -0.11 0.00 -2.02 0.00 0.00 58.31 53.47 2wgg n LYS 59 Cb 0.52 -1.09 -0.10 0.00 -0.02 0.00 0.00 35.03 34.34 2wgg n LYS 59 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2wgg s ILE 60 N -2.03 0.64 0.00 -0.18 -4.36 -1.26 -0.80 121.20 113.21 2wgg s ILE 60 Ca 0.31 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 2wgg s ILE 60 Cb 0.31 -1.82 0.00 0.00 1.25 0.00 0.00 42.46 42.19 2wgg s ILE 60 CO -0.06 -0.74 0.00 0.61 0.24 0.00 0.00 174.94 174.99 2wgg n GLY 61 N -0.10 2.97 3.06 6.27 0.00 -0.43 -4.70 105.19 112.26 2wgg n GLY 61 Ca -0.10 -1.21 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 2wgg n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wgg s GLY 62 N 0.00 1.79 0.72 -0.02 0.00 -0.57 -1.36 107.32 107.88 2wgg s GLY 62 Ca 0.00 -2.11 -0.12 0.00 0.00 0.00 0.00 44.72 42.50 2wgg s GLY 62 CO 0.00 0.76 1.09 0.30 0.00 0.00 0.00 173.10 175.25 2wgg s HIS 63 N 1.03 2.73 0.26 1.90 3.76 -1.26 0.16 115.29 123.87 2wgg s HIS 63 Ca -0.00 1.52 -0.31 0.00 -0.15 0.00 0.00 55.06 56.12 2wgg s HIS 63 Cb -0.20 -3.03 -0.12 0.00 1.11 0.00 0.00 32.58 30.34 2wgg s HIS 63 CO -0.06 -1.60 1.59 1.28 -0.85 0.00 0.00 174.74 175.10 2wgg n LEU 64 N -3.10 3.96 -0.19 0.89 4.77 -1.26 -4.23 117.00 117.84 2wgg n LEU 64 Ca 0.09 1.12 -0.02 0.00 -0.03 0.00 0.00 56.01 57.17 2wgg n LEU 64 Cb 0.53 -1.55 0.04 0.00 -2.33 0.00 0.00 43.42 40.11 2wgg n LEU 64 CO 0.52 0.01 0.71 0.50 -1.33 0.00 0.00 177.39 177.80 2wgg h LYS 65 N 5.17 -0.06 -4.79 3.23 1.63 -1.07 -3.35 116.57 117.34 2wgg h LYS 65 Ca -0.46 0.00 -0.68 0.00 -0.85 0.00 0.00 60.65 58.67 2wgg h LYS 65 Cb 1.23 0.01 -0.34 0.00 -0.60 0.00 0.00 32.23 32.54 2wgg h LYS 65 CO 0.83 -0.04 -0.72 0.34 -3.45 0.00 0.00 179.45 176.41 2wgg s ASP 66 N -5.20 4.81 0.29 4.20 2.15 -1.26 -5.01 116.67 116.66 2wgg s ASP 66 Ca -0.14 -1.31 -0.30 0.00 0.43 0.00 0.00 52.55 51.23 2wgg s ASP 66 Cb 0.18 -1.68 -0.12 0.00 -0.30 0.00 0.00 42.92 40.99 2wgg s ASP 66 CO 0.72 -0.25 1.44 -2.65 -0.17 0.00 0.00 175.17 174.26 2wgg n PRO 67 N 4.58 2.30 -0.35 4.34 -0.02 -1.26 -4.89 135.00 139.71 2wgg n PRO 67 Ca -0.13 0.81 0.10 0.00 -2.02 0.00 0.00 63.50 62.27 2wgg n PRO 67 Cb 0.43 -2.50 0.28 0.00 -0.02 0.00 0.00 33.50 31.70 2wgg n PRO 67 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wgg h VAL 68 N 3.01 0.77 -0.00 -1.45 2.07 -1.99 -1.74 116.25 116.92 2wgg h VAL 68 Ca -0.46 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2wgg h VAL 68 Cb 1.26 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2wgg h VAL 68 CO 0.73 0.15 -0.02 0.47 0.02 0.00 0.00 177.57 178.91 2wgg n ASP 69 N -4.74 0.40 0.06 0.57 8.00 -1.26 -1.65 116.55 117.92 2wgg n ASP 69 Ca 0.21 -0.91 0.13 0.00 0.71 0.00 0.00 54.79 54.92 2wgg n ASP 69 Cb 0.49 -0.05 0.48 0.00 -0.02 0.00 0.00 41.12 42.02 2wgg n ASP 69 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2wgg n SER 70 N -0.79 0.45 -0.00 -2.24 3.41 -0.65 -3.01 113.62 110.79 2wgg n SER 70 Ca 0.20 0.56 0.09 0.00 -0.26 0.00 0.00 58.87 59.45 2wgg n SER 70 Cb 0.21 -0.67 -0.11 0.00 -0.26 0.00 0.00 64.21 63.37 2wgg n SER 70 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wgg n HIS 71 N -1.94 0.00 -3.55 7.33 8.25 -0.66 -4.98 115.22 119.67 2wgg n HIS 71 Ca 0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.15 2wgg n HIS 71 Cb 0.35 -0.06 -0.08 0.00 1.12 0.00 0.00 29.99 31.32 2wgg n HIS 71 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2wgg s MET 72 N -2.84 4.16 0.91 -0.41 1.00 -1.14 -5.08 119.30 115.90 2wgg s MET 72 Ca 0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 55.69 55.60 2wgg s MET 72 Cb 0.14 -3.50 0.14 0.00 0.00 0.00 0.00 34.83 31.61 2wgg s MET 72 CO 0.77 0.10 1.09 0.20 0.00 0.00 0.00 175.02 177.18 2wgg s GLY 73 N 0.84 1.62 0.55 -0.03 0.00 -1.26 -4.92 107.32 104.11 2wgg s GLY 73 Ca 0.13 -0.05 0.36 0.00 0.00 0.00 0.00 44.72 45.16 2wgg s GLY 73 CO 0.05 0.44 2.07 3.21 0.00 0.00 0.00 173.10 178.88 2wgg h ARG 74 N -1.61 0.00 -0.40 2.90 3.08 -1.98 -2.63 114.38 113.75 2wgg h ARG 74 Ca -0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 2wgg h ARG 74 Cb 1.29 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 2wgg h ARG 74 CO 0.54 0.00 0.17 1.25 -1.07 0.00 0.00 179.97 180.86 2wgg h LEU 75 N 0.00 0.54 -0.75 3.04 6.46 -2.00 -2.72 115.31 119.88 2wgg h LEU 75 Ca 0.00 -0.15 -0.13 0.00 -0.12 0.00 0.00 57.88 57.48 2wgg h LEU 75 Cb 0.31 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 2wgg h LEU 75 CO 0.00 0.54 -0.44 0.44 -0.62 0.00 0.00 178.44 178.37 2wgg h ASP 76 N 0.50 0.45 0.47 1.25 3.32 -1.84 -2.96 116.42 117.61 2wgg h ASP 76 Ca 0.13 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2wgg h ASP 76 Cb 0.16 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2wgg h ASP 76 CO -0.01 0.83 0.00 0.24 -1.72 0.00 0.00 179.24 178.58 2wgg h MET 77 N 0.35 0.00 0.00 3.56 2.86 -1.42 0.10 114.93 120.38 2wgg h MET 77 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2wgg h MET 77 Cb 0.91 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.57 2wgg h MET 77 CO 0.08 0.00 -0.90 0.54 1.06 0.00 0.00 176.91 177.69 2wgg n ARG 78 N -2.66 2.18 0.00 1.72 1.74 -1.15 -4.68 116.66 113.81 2wgg n ARG 78 Ca -0.00 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 2wgg n ARG 78 Cb 0.17 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 2wgg n ARG 78 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2wgg n ARG 79 N -1.50 5.90 -4.25 5.56 1.85 -0.84 -5.04 116.66 118.33 2wgg n ARG 79 Ca 0.01 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.66 2wgg n ARG 79 Cb 0.23 -0.45 -0.11 0.00 -1.05 0.00 0.00 32.46 31.07 2wgg n ARG 79 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2wgg s MET 80 N -0.89 1.04 0.74 2.89 -1.94 0.30 -4.86 119.30 116.59 2wgg s MET 80 Ca 0.00 -1.20 -0.12 0.00 -1.71 0.00 0.00 55.69 52.66 2wgg s MET 80 Cb 0.00 -1.04 0.04 0.00 2.01 0.00 0.00 34.83 35.84 2wgg s MET 80 CO 0.00 0.21 1.12 -1.54 -0.01 0.00 0.00 175.02 174.81 2wgg s SER 81 N -2.27 5.11 0.20 3.03 1.04 -1.26 -4.73 113.70 114.82 2wgg s SER 81 Ca 0.08 1.04 -0.14 0.00 0.48 0.00 0.00 55.95 57.40 2wgg s SER 81 Cb -0.07 -1.74 0.20 0.00 0.10 0.00 0.00 66.02 64.51 2wgg s SER 81 CO 0.04 -1.54 1.65 0.22 0.98 0.00 0.00 173.24 174.58 2wgg h TYR 82 N -0.80 -0.22 -0.20 5.02 3.20 -1.94 -1.20 116.97 120.84 2wgg h TYR 82 Ca -0.45 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.37 2wgg h TYR 82 Cb 1.28 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.72 2wgg h TYR 82 CO 0.44 -0.21 -0.27 -0.39 -1.64 0.00 0.00 178.16 176.10 2wgg h VAL 83 N 0.03 1.26 -0.42 1.81 -1.51 -1.88 0.48 116.25 116.02 2wgg h VAL 83 Ca 0.27 -1.24 -0.02 0.00 -1.23 0.00 0.00 66.70 64.48 2wgg h VAL 83 Cb 0.41 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 30.96 2wgg h VAL 83 CO -0.54 0.39 0.18 1.56 -1.23 0.00 0.00 177.57 177.93 2wgg h GLN 84 N 0.33 0.63 -0.42 5.19 4.20 -1.77 0.21 115.11 123.48 2wgg h GLN 84 Ca 0.05 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2wgg h GLN 84 Cb 0.65 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2wgg h GLN 84 CO 0.05 0.57 0.26 0.00 -0.67 0.00 0.00 178.83 179.04 2wgg h ARG 85 N 0.54 0.56 -0.62 1.46 3.08 -0.26 0.15 114.38 119.29 2wgg h ARG 85 Ca 0.14 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.20 2wgg h ARG 85 Cb 0.17 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 2wgg h ARG 85 CO -0.01 0.40 0.34 1.98 -1.07 0.00 0.00 179.97 181.60 2wgg h MET 86 N 0.56 0.63 -0.34 0.04 4.05 -0.83 -1.78 114.93 117.26 2wgg h MET 86 Ca 0.15 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.53 2wgg h MET 86 Cb -0.03 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.61 2wgg h MET 86 CO -0.03 0.42 0.20 0.78 0.23 0.00 0.00 176.91 178.51 2wgg h GLY 87 N 0.65 0.49 0.96 1.39 0.00 0.33 -1.34 103.07 105.55 2wgg h GLY 87 Ca 0.27 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.41 2wgg h GLY 87 CO -0.16 0.20 0.46 1.70 0.00 0.00 0.00 176.54 178.74 2wgg h LYS 88 N 0.44 0.90 0.33 4.80 3.64 -0.63 0.00 116.57 126.05 2wgg h LYS 88 Ca 0.12 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2wgg h LYS 88 Cb 0.02 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 2wgg h LYS 88 CO -0.02 0.60 -0.16 1.25 -2.27 0.00 0.00 179.45 178.85 2wgg h LEU 89 N 0.93 -0.37 -0.91 5.20 5.85 -0.87 -2.47 115.31 122.66 2wgg h LEU 89 Ca 0.27 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 2wgg h LEU 89 Cb -0.07 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2wgg h LEU 89 CO -0.07 -0.19 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.44 2wgg h LEU 90 N -0.54 0.42 -0.60 2.25 3.38 -1.16 -1.87 115.31 117.19 2wgg h LEU 90 Ca -0.05 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 2wgg h LEU 90 Cb 0.40 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2wgg h LEU 90 CO 0.07 0.73 0.14 1.23 0.09 0.00 0.00 178.44 180.70 2wgg h GLY 91 N 1.08 1.04 1.00 0.83 0.00 -0.93 0.17 103.07 106.25 2wgg h GLY 91 Ca 0.04 -0.66 -0.15 0.00 0.00 0.00 0.00 47.33 46.57 2wgg h GLY 91 CO 0.06 0.61 -0.44 -1.33 0.00 0.00 0.00 176.54 175.44 2wgg h GLY 92 N 0.87 0.76 1.00 4.60 0.00 -1.23 -2.12 103.07 106.95 2wgg h GLY 92 Ca 0.19 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 2wgg h GLY 92 CO 0.00 0.81 0.37 1.46 0.00 0.00 0.00 176.54 179.18 2wgg h GLN 93 N 0.41 0.93 -0.11 4.80 4.20 -1.14 -2.15 115.11 122.05 2wgg h GLN 93 Ca 0.01 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 2wgg h GLN 93 Cb 1.05 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 2wgg h GLN 93 CO 0.10 0.70 0.06 1.25 -0.67 0.00 0.00 178.83 180.27 2wgg h LEU 94 N 0.92 0.14 -0.91 1.46 5.85 -0.64 -2.36 115.31 119.76 2wgg h LEU 94 Ca 0.24 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2wgg h LEU 94 Cb 0.03 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2wgg h LEU 94 CO -0.04 0.19 0.59 -0.25 -0.34 0.00 0.00 178.44 178.59 2wgg h TRP 95 N 0.08 1.11 -0.50 1.25 -0.00 -1.22 -1.17 115.95 115.51 2wgg h TRP 95 Ca 0.04 0.03 -0.09 0.00 -0.00 0.00 0.00 58.89 58.87 2wgg h TRP 95 Cb 0.08 -0.37 -0.02 0.00 -0.00 0.00 0.00 29.16 28.85 2wgg h TRP 95 CO -0.04 0.65 -0.04 1.05 -0.00 0.00 0.00 178.44 180.06 2wgg h GLU 96 N 1.16 0.86 0.00 2.65 -0.00 -1.29 0.20 114.58 118.17 2wgg h GLU 96 Ca 0.36 -0.26 -0.05 0.00 -0.00 0.00 0.00 59.36 59.41 2wgg h GLU 96 Cb -0.02 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 28.64 2wgg h GLU 96 CO -0.11 0.89 -0.23 0.77 -0.00 0.00 0.00 179.01 180.32 2wgg h SER 97 N 0.79 0.00 0.50 3.06 0.02 -0.86 -1.39 113.55 115.67 2wgg h SER 97 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2wgg h SER 97 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 2wgg h SER 97 CO 0.03 0.23 -0.08 0.00 -1.14 0.00 0.00 176.83 175.88 2wgg n ALA 98 N -2.33 2.66 -0.60 3.77 0.00 -0.49 -4.90 120.51 118.61 2wgg n ALA 98 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2wgg n ALA 98 Cb 0.34 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2wgg n ALA 98 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wgg n GLY 99 N 1.31 0.87 3.79 0.00 0.00 -0.52 -4.23 105.19 106.41 2wgg n GLY 99 Ca 0.13 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 2wgg n GLY 99 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wgg n SER 100 N 0.93 -2.23 -4.74 1.61 7.64 0.66 -4.87 113.62 112.61 2wgg n SER 100 Ca 0.00 -0.96 -0.37 0.00 1.01 0.00 0.00 58.87 58.55 2wgg n SER 100 Cb 0.07 -3.46 0.06 0.00 -1.01 0.00 0.00 64.21 59.87 2wgg n SER 100 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2wgg s PRO 101 N -6.18 2.75 -0.54 1.43 0.04 -1.26 -4.95 135.00 126.29 2wgg s PRO 101 Ca 0.16 2.06 -0.18 0.00 0.04 0.00 0.00 61.00 63.08 2wgg s PRO 101 Cb -0.06 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.63 2wgg s PRO 101 CO 0.86 -1.45 0.59 -1.21 0.04 0.00 0.00 177.00 175.83 2wgg s GLU 102 N -3.27 3.04 0.30 4.56 0.41 -1.26 -5.05 118.70 117.43 2wgg s GLU 102 Ca 0.79 -1.29 0.07 0.00 -0.41 0.00 0.00 54.97 54.13 2wgg s GLU 102 Cb -0.37 -4.21 -0.03 0.00 -1.78 0.00 0.00 34.13 27.74 2wgg s GLU 102 CO 0.40 -1.32 0.25 0.14 -0.49 0.00 0.00 175.26 174.24 2wgg s VAL 103 N 2.26 3.87 -0.09 2.63 -7.23 -1.26 -5.05 120.40 115.53 2wgg s VAL 103 Ca 0.09 -1.39 -0.29 0.00 -1.81 0.00 0.00 61.98 58.58 2wgg s VAL 103 Cb -0.24 -3.26 -0.05 0.00 0.56 0.00 0.00 36.38 33.39 2wgg s VAL 103 CO 0.07 -0.24 1.67 -0.62 -0.31 0.00 0.00 175.10 175.67 2wgg s ASP 104 N -3.93 6.57 0.36 4.85 -1.08 -1.26 -4.91 116.67 117.27 2wgg s ASP 104 Ca 0.38 2.11 0.04 0.00 -0.52 0.00 0.00 52.55 54.57 2wgg s ASP 104 Cb -0.07 -2.53 0.71 0.00 -1.46 0.00 0.00 42.92 39.57 2wgg s ASP 104 CO 0.26 -1.03 2.00 -0.65 0.52 0.00 0.00 175.17 176.27 2wgg h PRO 105 N 9.97 0.75 -0.00 4.34 0.11 -1.94 -2.53 132.00 142.71 2wgg h PRO 105 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2wgg h PRO 105 Cb 1.18 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2wgg h PRO 105 CO 0.96 0.50 -0.00 -0.25 -0.21 0.00 0.00 178.00 179.00 2wgg n ASP 106 N -4.46 0.09 -0.24 -2.05 8.00 -1.26 -1.05 116.55 115.58 2wgg n ASP 106 Ca 0.08 -0.84 0.05 0.00 0.71 0.00 0.00 54.79 54.79 2wgg n ASP 106 Cb 0.12 -0.06 0.10 0.00 -0.02 0.00 0.00 41.12 41.26 2wgg n ASP 106 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wgg n ARG 107 N -1.00 2.46 -3.93 -1.24 5.12 -0.96 -4.33 116.66 112.78 2wgg n ARG 107 Ca 0.21 -2.08 -0.35 0.00 -1.93 0.00 0.00 57.85 53.71 2wgg n ARG 107 Cb 0.15 -1.30 -0.14 0.00 -1.16 0.00 0.00 32.46 30.01 2wgg n ARG 107 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 2wgg s PHE 108 N -1.79 3.11 0.18 -1.55 5.36 -0.79 -1.20 117.98 121.30 2wgg s PHE 108 Ca 0.19 -1.56 0.07 0.00 -0.96 0.00 0.00 56.93 54.67 2wgg s PHE 108 Cb 0.15 -2.08 -0.04 0.00 -0.34 0.00 0.00 43.02 40.70 2wgg s PHE 108 CO 0.05 -0.73 0.02 0.00 -1.46 0.00 0.00 175.22 173.09 2wgg s ALA 109 N 1.33 3.24 -0.09 11.12 0.00 -0.63 -0.85 121.76 135.88 2wgg s ALA 109 Ca -0.01 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 50.60 2wgg s ALA 109 Cb -0.17 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 21.94 2wgg s ALA 109 CO -0.03 0.46 -0.18 0.08 0.00 0.00 0.00 175.76 176.09 2wgg s VAL 110 N -1.79 1.62 -0.21 0.00 1.01 -0.22 -1.27 120.40 119.55 2wgg s VAL 110 Ca 0.28 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 2wgg s VAL 110 Cb -0.09 -1.44 0.06 0.00 0.00 0.00 0.00 36.38 34.91 2wgg s VAL 110 CO 0.19 0.46 -0.03 -0.69 0.00 0.00 0.00 175.10 175.04 2wgg s VAL 111 N 0.62 1.17 -0.06 2.92 1.01 0.55 -0.58 120.40 126.04 2wgg s VAL 111 Ca -0.14 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 2wgg s VAL 111 Cb -0.16 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.74 2wgg s VAL 111 CO 0.04 -0.10 0.02 -0.69 0.00 0.00 0.00 175.10 174.37 2wgg s VAL 112 N 1.56 0.21 0.37 2.92 1.01 -0.30 -1.63 120.40 124.54 2wgg s VAL 112 Ca -0.04 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2wgg s VAL 112 Cb -0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 2wgg s VAL 112 CO -0.07 0.22 0.55 -0.83 0.00 0.00 0.00 175.10 174.97 2wgg s GLY 113 N 1.86 1.49 0.08 4.51 0.00 0.18 -4.20 107.32 111.24 2wgg s GLY 113 Ca 0.02 -1.18 -0.24 0.00 0.00 0.00 0.00 44.72 43.32 2wgg s GLY 113 CO -0.04 -1.08 0.59 -1.08 0.00 0.00 0.00 173.10 171.49 2wgg s THR 114 N -2.32 0.01 0.07 0.90 -1.32 -1.26 -2.15 115.64 109.57 2wgg s THR 114 Ca 0.44 -0.10 -0.16 0.00 -1.21 0.00 0.00 61.69 60.66 2wgg s THR 114 Cb -0.10 -1.00 -0.18 0.00 -1.51 0.00 0.00 72.50 69.71 2wgg s THR 114 CO 0.34 -0.05 1.25 1.23 -2.21 0.00 0.00 174.62 175.18 2wgg h GLY 115 N 2.47 0.70 0.00 6.08 0.00 -1.82 -3.43 103.07 107.08 2wgg h GLY 115 Ca -0.31 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 46.00 2wgg h GLY 115 CO 0.40 0.90 -0.28 -0.10 0.00 0.00 0.00 176.54 177.46 2wgg n LEU 116 N -4.09 0.10 0.00 3.11 7.94 -1.26 -4.74 117.00 118.05 2wgg n LEU 116 Ca -0.08 0.10 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 2wgg n LEU 116 Cb 0.68 0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.66 2wgg n LEU 116 CO 0.50 -0.44 0.00 0.61 -1.11 0.00 0.00 177.39 176.94 2wgg n GLY 117 N 2.16 0.34 2.27 -3.96 0.00 -1.26 -4.60 105.19 100.15 2wgg n GLY 117 Ca 0.00 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 2wgg n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wgg n GLY 118 N 0.00 4.08 0.19 -0.02 0.00 -1.15 -4.70 105.19 103.58 2wgg n GLY 118 Ca 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 46.02 44.49 2wgg n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wgg h ALA 119 N 4.09 1.25 0.00 4.61 0.00 -1.87 -1.76 119.26 125.58 2wgg h ALA 119 Ca 0.58 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2wgg h ALA 119 Cb 0.70 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wgg h ALA 119 CO 1.16 0.48 -0.01 1.05 0.00 0.00 0.00 179.25 181.93 2wgg h GLU 120 N 0.00 0.00 0.00 0.00 9.09 -1.98 -2.00 114.58 119.69 2wgg h GLU 120 Ca -0.00 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.25 2wgg h GLU 120 Cb 0.73 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.81 2wgg h GLU 120 CO 0.05 0.01 -0.75 0.00 0.05 0.00 0.00 179.01 178.37 2wgg h ARG 121 N 0.00 0.00 0.44 1.06 2.47 -1.69 -1.77 114.38 114.89 2wgg h ARG 121 Ca -0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2wgg h ARG 121 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2wgg h ARG 121 CO 0.00 0.75 -0.21 0.82 0.56 0.00 0.00 179.97 181.89 2wgg h ILE 122 N 0.00 0.57 -0.15 2.04 2.04 -1.39 -0.36 117.51 120.25 2wgg h ILE 122 Ca -0.01 -0.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 2wgg h ILE 122 Cb 1.41 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2wgg h ILE 122 CO 0.10 0.01 -0.27 -0.37 0.00 0.00 0.00 178.15 177.62 2wgg h VAL 123 N -0.62 1.25 -0.03 1.67 -1.51 -1.49 0.07 116.25 115.60 2wgg h VAL 123 Ca -0.06 -1.18 -0.00 0.00 -1.23 0.00 0.00 66.70 64.23 2wgg h VAL 123 Cb 0.47 1.43 -0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2wgg h VAL 123 CO 0.10 0.36 0.01 -0.08 -1.23 0.00 0.00 177.57 176.73 2wgg h GLU 124 N 0.25 0.04 -0.79 5.19 4.81 -1.24 -1.37 114.58 121.47 2wgg h GLU 124 Ca 0.04 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 2wgg h GLU 124 Cb 0.61 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 2wgg h GLU 124 CO 0.04 0.19 0.41 0.77 -0.73 0.00 0.00 179.01 179.70 2wgg h SER 125 N -0.11 1.01 0.31 1.04 0.02 -0.76 -0.41 113.55 114.64 2wgg h SER 125 Ca 0.01 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2wgg h SER 125 Cb 0.16 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2wgg h SER 125 CO -0.00 0.83 -0.45 0.22 -1.14 0.00 0.00 176.83 176.29 2wgg h TYR 126 N 1.10 -1.27 -0.22 3.45 5.03 -0.85 -1.07 116.97 123.14 2wgg h TYR 126 Ca 0.28 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.62 2wgg h TYR 126 Cb 0.07 0.51 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 2wgg h TYR 126 CO 0.01 -0.58 0.10 -0.44 -1.32 0.00 0.00 178.16 175.92 2wgg h ASP 127 N -0.82 0.14 -0.40 -2.11 3.32 -1.05 -0.56 116.42 114.95 2wgg h ASP 127 Ca -0.02 0.01 0.06 0.00 0.02 0.00 0.00 57.03 57.10 2wgg h ASP 127 Cb 0.76 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.25 2wgg h ASP 127 CO -0.15 0.11 0.09 -0.07 -1.72 0.00 0.00 179.24 177.49 2wgg h LEU 128 N 0.21 0.02 -0.42 1.55 4.07 -1.02 -1.34 115.31 118.38 2wgg h LEU 128 Ca 0.09 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 58.06 2wgg h LEU 128 Cb 0.03 0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 2wgg h LEU 128 CO -0.07 0.05 0.05 -0.03 -1.08 0.00 0.00 178.44 177.35 2wgg h MET 129 N 0.22 0.71 -0.49 1.13 4.05 -1.10 -1.24 114.93 118.21 2wgg h MET 129 Ca 0.19 -0.20 0.07 0.00 -0.28 0.00 0.00 59.70 59.48 2wgg h MET 129 Cb 0.23 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 2wgg h MET 129 CO -0.25 0.76 0.33 -0.91 0.23 0.00 0.00 176.91 177.07 2wgg h ASN 130 N 0.56 0.34 0.48 1.39 2.35 -0.74 0.13 115.58 120.09 2wgg h ASN 130 Ca 0.12 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.58 2wgg h ASN 130 Cb 0.41 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.67 2wgg h ASN 130 CO 0.01 0.22 -1.67 0.00 -1.65 0.00 0.00 177.43 174.34 2wgg h ALA 131 N 1.74 0.66 0.00 -0.83 0.00 -1.14 -3.42 119.26 116.27 2wgg h ALA 131 Ca 0.22 -1.39 0.00 0.00 0.00 0.00 0.00 54.91 53.74 2wgg h ALA 131 Cb 0.36 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2wgg h ALA 131 CO -0.05 1.49 0.00 0.41 0.00 0.00 0.00 179.25 181.10 2wgg n GLY 132 N 1.60 -2.15 2.53 0.00 0.00 -0.48 -5.10 105.19 101.59 2wgg n GLY 132 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2wgg n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wgg n GLY 133 N 0.00 -2.28 0.09 -0.02 0.00 0.45 -4.48 105.19 98.95 2wgg n GLY 133 Ca 0.00 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.60 2wgg n GLY 133 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wgg n PRO 134 N -0.58 0.16 -0.01 1.61 -0.04 -1.26 -2.13 135.00 132.76 2wgg n PRO 134 Ca 0.00 0.30 0.14 0.00 -0.04 0.00 0.00 63.50 63.90 2wgg n PRO 134 Cb 0.00 -1.76 0.64 0.00 -0.04 0.00 0.00 33.50 32.35 2wgg n PRO 134 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wgg n ARG 135 N -2.06 1.42 0.00 0.54 1.74 -1.26 -2.71 116.66 114.34 2wgg n ARG 135 Ca 0.04 -0.62 0.13 0.00 -0.77 0.00 0.00 57.85 56.63 2wgg n ARG 135 Cb 0.28 -1.47 0.39 0.00 -1.02 0.00 0.00 32.46 30.65 2wgg n ARG 135 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2wgg n LYS 136 N -0.24 0.76 -3.09 5.56 4.01 -0.90 -4.88 118.16 119.38 2wgg n LYS 136 Ca 0.20 -0.43 -0.39 0.00 -0.51 0.00 0.00 58.31 57.17 2wgg n LYS 136 Cb 0.26 -1.49 -0.05 0.00 -0.51 0.00 0.00 35.03 33.23 2wgg n LYS 136 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2wgg s VAL 137 N -2.54 4.83 0.37 -0.18 1.01 -1.10 -4.77 120.40 118.03 2wgg s VAL 137 Ca 0.24 1.43 -0.25 0.00 0.00 0.00 0.00 61.98 63.40 2wgg s VAL 137 Cb 0.19 -4.02 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 2wgg s VAL 137 CO 0.53 0.39 1.01 -0.55 0.00 0.00 0.00 175.10 176.48 2wgg s SER 138 N -0.08 6.97 0.03 3.32 0.15 -1.26 -4.93 113.70 117.90 2wgg s SER 138 Ca 0.35 1.97 0.02 0.00 0.70 0.00 0.00 55.95 58.98 2wgg s SER 138 Cb -0.19 -2.58 0.10 0.00 -1.71 0.00 0.00 66.02 61.63 2wgg s SER 138 CO 0.20 -0.34 1.03 -2.65 1.20 0.00 0.00 173.24 172.69 2wgg n PRO 139 N 0.16 0.01 0.00 5.44 -0.02 -1.26 -1.87 135.00 137.46 2wgg n PRO 139 Ca 0.04 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.10 2wgg n PRO 139 Cb 0.50 -1.56 0.07 0.00 -0.02 0.00 0.00 33.50 32.49 2wgg n PRO 139 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wgg n LEU 140 N -1.54 2.45 -0.27 2.45 4.77 -1.26 -4.57 117.00 119.02 2wgg n LEU 140 Ca -0.00 -1.00 -0.02 0.00 -0.03 0.00 0.00 56.01 54.96 2wgg n LEU 140 Cb 0.02 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.21 2wgg n LEU 140 CO 0.01 0.43 1.16 0.00 -1.33 0.00 0.00 177.39 177.66 2wgg h ALA 141 N 3.43 0.99 -0.14 -1.18 0.00 -1.76 -2.61 119.26 117.99 2wgg h ALA 141 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2wgg h ALA 141 Cb 0.73 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wgg h ALA 141 CO 0.00 0.25 -0.09 0.28 0.00 0.00 0.00 179.25 179.69 2wgg h VAL 142 N 0.91 1.33 0.00 0.00 2.07 -1.80 -0.76 116.25 117.99 2wgg h VAL 142 Ca 0.31 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.65 2wgg h VAL 142 Cb 0.04 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2wgg h VAL 142 CO -0.12 0.34 0.00 0.06 0.02 0.00 0.00 177.57 177.87 2wgg h GLN 143 N -0.05 0.00 0.08 1.57 3.07 -1.85 -0.30 115.11 117.64 2wgg h GLN 143 Ca 0.03 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.43 2wgg h GLN 143 Cb 0.58 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.12 2wgg h GLN 143 CO 0.03 0.00 -1.90 -1.33 0.09 0.00 0.00 178.83 175.72 2wgg n MET 144 N -2.74 0.72 -0.02 0.06 2.81 -0.99 -4.38 117.12 112.58 2wgg n MET 144 Ca -0.01 0.28 -0.16 0.00 -1.81 0.00 0.00 57.70 56.00 2wgg n MET 144 Cb 0.17 -1.74 -0.11 0.00 -0.71 0.00 0.00 33.22 30.82 2wgg n MET 144 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2wgg h ILE 145 N 0.05 1.52 -1.39 2.02 2.04 -0.77 -3.33 117.51 117.64 2wgg h ILE 145 Ca -0.38 -2.02 -0.74 0.00 1.00 0.00 0.00 64.86 62.72 2wgg h ILE 145 Cb 2.03 2.76 0.04 0.00 -0.74 0.00 0.00 36.82 40.91 2wgg h ILE 145 CO 0.09 0.56 0.45 1.15 0.00 0.00 0.00 178.15 180.40 2wgg n MET 146 N -4.42 0.70 0.09 2.37 0.00 -0.15 -2.95 117.12 112.77 2wgg n MET 146 Ca -0.10 0.25 0.19 0.00 0.00 0.00 0.00 57.70 58.04 2wgg n MET 146 Cb 0.56 -1.85 0.74 0.00 0.00 0.00 0.00 33.22 32.67 2wgg n MET 146 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 2wgg h PRO 147 N 4.64 0.00 0.00 3.17 0.11 -1.90 0.44 132.00 138.47 2wgg h PRO 147 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wgg h PRO 147 Cb 1.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.47 2wgg h PRO 147 CO 0.80 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.86 2wgg n ASN 148 N -4.09 0.00 -0.21 -2.05 6.94 -1.26 -4.32 115.26 110.26 2wgg n ASN 148 Ca 0.06 -1.15 0.00 0.00 -0.02 0.00 0.00 54.58 53.47 2wgg n ASN 148 Cb 0.50 0.00 0.12 0.00 -2.36 0.00 0.00 39.78 38.03 2wgg n ASN 148 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 2wgg h GLY 149 N 5.02 0.91 0.80 4.83 0.00 -0.36 -1.56 103.07 112.72 2wgg h GLY 149 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 2wgg h GLY 149 CO 0.00 0.01 0.02 0.00 0.00 0.00 0.00 176.54 176.57 2wgg h ALA 150 N 1.42 0.17 -0.94 3.60 0.00 -1.81 -0.64 119.26 121.06 2wgg h ALA 150 Ca 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wgg h ALA 150 Cb 0.37 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2wgg h ALA 150 CO -0.29 -0.17 0.61 0.00 0.00 0.00 0.00 179.25 179.40 2wgg h ALA 151 N 0.80 1.30 -0.57 0.00 0.00 -1.80 -2.05 119.26 116.93 2wgg h ALA 151 Ca 0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2wgg h ALA 151 Cb 0.30 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2wgg h ALA 151 CO 0.00 0.64 0.07 0.00 0.00 0.00 0.00 179.25 179.96 2wgg h ALA 152 N 1.39 0.76 0.01 0.00 0.00 -1.12 0.59 119.26 120.88 2wgg h ALA 152 Ca 0.34 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 55.01 2wgg h ALA 152 Cb -0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2wgg h ALA 152 CO -0.07 0.53 -0.11 0.28 0.00 0.00 0.00 179.25 179.88 2wgg h VAL 153 N 0.85 0.73 -0.55 0.00 2.07 -0.89 -1.53 116.25 116.93 2wgg h VAL 153 Ca 0.17 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.73 2wgg h VAL 153 Cb 0.45 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 2wgg h VAL 153 CO 0.02 0.00 0.31 0.40 0.02 0.00 0.00 177.57 178.32 2wgg h ILE 154 N -0.19 1.00 -0.40 4.57 2.04 -1.12 0.89 117.51 124.32 2wgg h ILE 154 Ca 0.04 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 2wgg h ILE 154 Cb 0.24 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 2wgg h ILE 154 CO -0.10 0.11 0.12 1.23 0.00 0.00 0.00 178.15 179.50 2wgg h GLY 155 N 0.60 0.61 1.56 5.37 0.00 -0.73 -1.86 103.07 108.62 2wgg h GLY 155 Ca 0.23 -0.31 -0.21 0.00 0.00 0.00 0.00 47.33 47.05 2wgg h GLY 155 CO -0.13 0.29 -0.84 -2.00 0.00 0.00 0.00 176.54 173.86 2wgg h LEU 156 N 0.57 0.52 -0.39 3.11 5.85 -0.98 0.25 115.31 124.23 2wgg h LEU 156 Ca 0.13 -0.38 -0.05 0.00 0.84 0.00 0.00 57.88 58.43 2wgg h LEU 156 Cb 0.18 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2wgg h LEU 156 CO -0.01 1.15 0.05 -0.61 -0.34 0.00 0.00 178.44 178.69 2wgg h GLN 157 N 0.26 0.66 0.00 1.25 4.15 -0.52 -3.27 115.11 117.64 2wgg h GLN 157 Ca -0.05 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.18 2wgg h GLN 157 Cb 1.45 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.06 2wgg h GLN 157 CO 0.14 0.72 -1.22 1.28 -1.93 0.00 0.00 178.83 177.83 2wgg n LEU 158 N -4.51 0.65 -0.14 -2.39 4.77 -0.73 -5.00 117.00 109.65 2wgg n LEU 158 Ca -0.01 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2wgg n LEU 158 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2wgg n LEU 158 CO 0.39 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2wgg n GLY 159 N 1.43 1.06 3.65 -0.72 0.00 -0.08 -5.04 105.19 105.49 2wgg n GLY 159 Ca 0.02 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 2wgg n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wgg s ALA 160 N -2.28 3.62 -0.29 4.61 0.00 0.70 -4.62 121.76 123.51 2wgg s ALA 160 Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.22 2wgg s ALA 160 Cb 0.00 -3.61 0.07 0.00 0.00 0.00 0.00 23.12 19.57 2wgg s ALA 160 CO 0.00 -1.22 0.93 0.54 0.00 0.00 0.00 175.76 176.01 2wgg n ARG 161 N 6.59 1.91 -0.90 0.00 1.74 -0.22 -4.61 116.66 121.17 2wgg n ARG 161 Ca 0.13 -1.36 0.05 0.00 -0.77 0.00 0.00 57.85 55.90 2wgg n ARG 161 Cb 0.46 -1.07 0.39 0.00 -1.02 0.00 0.00 32.46 31.22 2wgg n ARG 161 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wgg n ALA 162 N -0.10 3.95 0.00 7.54 0.00 -0.03 -4.79 120.51 127.07 2wgg n ALA 162 Ca 0.03 -1.92 0.00 0.00 0.00 0.00 0.00 53.44 51.54 2wgg n ALA 162 Cb 0.23 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2wgg n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wgg n GLY 163 N 0.54 3.81 2.88 0.00 0.00 -1.26 -4.61 105.19 106.54 2wgg n GLY 163 Ca 0.29 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 2wgg n GLY 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wgg s VAL 164 N -0.44 1.02 -0.02 1.61 1.01 -1.25 -1.05 120.40 121.28 2wgg s VAL 164 Ca 0.00 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2wgg s VAL 164 Cb 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2wgg s VAL 164 CO 0.00 0.14 -0.15 -0.32 0.00 0.00 0.00 175.10 174.76 2wgg s MET 165 N 1.67 1.32 -0.37 2.72 1.75 0.26 -4.99 119.30 121.67 2wgg s MET 165 Ca 0.01 -0.55 0.02 0.00 -1.25 0.00 0.00 55.69 53.93 2wgg s MET 165 Cb -0.15 -1.25 0.11 0.00 2.84 0.00 0.00 34.83 36.38 2wgg s MET 165 CO -0.08 0.31 0.12 0.99 -0.65 0.00 0.00 175.02 175.71 2wgg s THR 166 N -0.27 1.84 0.01 10.11 2.01 -1.26 -1.14 115.64 126.93 2wgg s THR 166 Ca 0.04 -2.27 -0.29 0.00 0.31 0.00 0.00 61.69 59.48 2wgg s THR 166 Cb -0.07 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 2wgg s THR 166 CO -0.00 -0.69 0.94 -2.16 -0.69 0.00 0.00 174.62 172.02 2wgg s PRO 167 N 0.84 4.56 -0.25 4.92 0.04 -1.26 -4.97 135.00 138.89 2wgg s PRO 167 Ca 0.12 1.36 -0.06 0.00 0.04 0.00 0.00 61.00 62.46 2wgg s PRO 167 Cb -0.20 -3.44 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 2wgg s PRO 167 CO -0.10 0.01 0.04 0.14 0.04 0.00 0.00 177.00 177.12 2wgg s VAL 168 N 0.81 3.93 -0.26 -0.36 -7.23 -1.26 -4.03 120.40 111.99 2wgg s VAL 168 Ca 0.49 -0.41 0.23 0.00 -1.81 0.00 0.00 61.98 60.48 2wgg s VAL 168 Cb -0.21 -2.87 0.51 0.00 0.56 0.00 0.00 36.38 34.36 2wgg s VAL 168 CO 0.27 0.30 1.12 -1.54 -0.31 0.00 0.00 175.10 174.94 2wgg n SER 169 N 4.87 1.48 0.00 4.85 3.41 -1.26 -4.99 113.62 121.97 2wgg n SER 169 Ca -0.16 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.42 2wgg n SER 169 Cb 0.50 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2wgg n SER 169 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wgg n ALA 170 N -0.62 0.00 0.70 7.33 0.00 -1.26 -2.23 120.51 124.42 2wgg n ALA 170 Ca 0.06 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.60 2wgg n ALA 170 Cb 0.80 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.69 2wgg n ALA 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wgg n GLN 171 N 14.00 0.01 -0.08 0.00 3.00 -1.26 -2.11 117.38 130.94 2wgg n GLN 171 Ca 0.00 0.15 0.12 0.00 -0.01 0.00 0.00 57.00 57.26 2wgg n GLN 171 Cb 0.00 -1.50 0.26 0.00 0.00 0.00 0.00 30.24 29.00 2wgg n GLN 171 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2wgg n SER 172 N -1.50 2.65 -0.11 1.08 3.41 -0.95 -4.30 113.62 113.90 2wgg n SER 172 Ca 0.05 -1.86 0.08 0.00 -0.26 0.00 0.00 58.87 56.87 2wgg n SER 172 Cb 0.23 -0.10 0.41 0.00 -0.26 0.00 0.00 64.21 64.50 2wgg n SER 172 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2wgg h SER 173 N 3.78 0.53 -0.28 4.04 0.02 -1.55 -1.26 113.55 118.82 2wgg h SER 173 Ca 0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 2wgg h SER 173 Cb 0.82 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.25 2wgg h SER 173 CO 0.00 0.34 -0.56 1.23 -1.14 0.00 0.00 176.83 176.70 2wgg h GLY 174 N 0.60 0.97 1.46 -3.77 0.00 -1.68 -0.91 103.07 99.74 2wgg h GLY 174 Ca 0.27 -1.14 -0.20 0.00 0.00 0.00 0.00 47.33 46.25 2wgg h GLY 174 CO -0.08 1.02 -0.79 1.76 0.00 0.00 0.00 176.54 178.46 2wgg h SER 175 N 0.67 0.63 -0.46 0.19 0.02 -1.66 -3.20 113.55 109.75 2wgg h SER 175 Ca 0.01 -0.43 -0.07 0.00 -0.84 0.00 0.00 61.79 60.46 2wgg h SER 175 Cb 1.17 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2wgg h SER 175 CO 0.13 1.20 0.04 -0.08 -1.14 0.00 0.00 176.83 176.97 2wgg h GLU 176 N 0.34 0.85 -0.14 3.45 4.81 -1.10 -0.06 114.58 122.73 2wgg h GLU 176 Ca -0.05 -0.22 0.03 0.00 -0.13 0.00 0.00 59.36 59.00 2wgg h GLU 176 Cb 1.39 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.63 2wgg h GLU 176 CO 0.14 0.83 -0.07 0.00 -0.73 0.00 0.00 179.01 179.18 2wgg h ALA 177 N 1.24 0.05 -0.87 2.92 0.00 -1.24 -0.13 119.26 121.23 2wgg h ALA 177 Ca 0.16 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.13 2wgg h ALA 177 Cb 0.43 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2wgg h ALA 177 CO 0.02 -0.52 0.57 0.82 0.00 0.00 0.00 179.25 180.14 2wgg h ILE 178 N -0.06 1.23 -0.06 0.00 2.04 -1.47 -1.38 117.51 117.81 2wgg h ILE 178 Ca 0.08 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.54 2wgg h ILE 178 Cb 0.17 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 2wgg h ILE 178 CO -0.18 0.22 -0.10 0.00 0.00 0.00 0.00 178.15 178.09 2wgg h ALA 179 N 1.32 -0.06 -0.15 1.87 0.00 -0.49 -1.60 119.26 120.14 2wgg h ALA 179 Ca 0.32 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 2wgg h ALA 179 Cb -0.13 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2wgg h ALA 179 CO -0.07 -0.58 -0.23 0.45 0.00 0.00 0.00 179.25 178.83 2wgg h HIS 180 N -0.15 0.29 -0.51 0.00 3.86 -0.88 -1.71 115.15 116.05 2wgg h HIS 180 Ca 0.06 -0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.17 2wgg h HIS 180 Cb 0.23 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2wgg h HIS 180 CO -0.19 0.48 0.14 0.00 0.86 0.00 0.00 177.93 179.22 2wgg h ALA 181 N 1.53 0.67 -0.78 2.45 0.00 -1.00 -0.43 119.26 121.69 2wgg h ALA 181 Ca 0.04 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2wgg h ALA 181 Cb 0.54 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2wgg h ALA 181 CO 0.04 0.35 0.51 2.35 0.00 0.00 0.00 179.25 182.49 2wgg h TRP 182 N 0.70 0.99 -0.69 0.00 7.01 -0.97 -2.22 115.95 120.77 2wgg h TRP 182 Ca 0.16 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.15 2wgg h TRP 182 Cb 0.30 -0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 27.00 2wgg h TRP 182 CO 0.02 0.63 0.31 0.00 -2.79 0.00 0.00 178.44 176.62 2wgg h ARG 183 N 1.06 1.01 -0.74 2.65 3.08 -1.00 -0.98 114.38 119.45 2wgg h ARG 183 Ca 0.29 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2wgg h ARG 183 Cb -0.11 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.73 2wgg h ARG 183 CO -0.06 0.81 0.42 0.37 -1.07 0.00 0.00 179.97 180.44 2wgg h GLN 184 N 0.97 1.02 0.02 0.04 5.75 -0.82 -1.35 115.11 120.74 2wgg h GLN 184 Ca 0.24 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.63 2wgg h GLN 184 Cb 0.15 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.49 2wgg h GLN 184 CO -0.03 0.73 -0.01 0.82 -2.65 0.00 0.00 178.83 177.69 2wgg h ILE 185 N 1.03 1.47 0.00 2.39 2.04 -1.03 -0.79 117.51 122.61 2wgg h ILE 185 Ca 0.26 -1.71 -0.03 0.00 1.00 0.00 0.00 64.86 64.39 2wgg h ILE 185 Cb -0.00 2.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 2wgg h ILE 185 CO -0.05 0.42 -0.13 -0.37 0.00 0.00 0.00 178.15 178.03 2wgg h VAL 186 N -0.80 1.08 -0.00 1.67 -1.51 -1.14 -1.30 116.25 114.24 2wgg h VAL 186 Ca -0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2wgg h VAL 186 Cb 0.72 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 31.13 2wgg h VAL 186 CO 0.00 0.13 -0.02 0.23 -1.23 0.00 0.00 177.57 176.68 2wgg n MET 187 N -4.35 0.18 -0.34 5.19 2.81 -0.51 -4.67 117.12 115.42 2wgg n MET 187 Ca -0.03 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 2wgg n MET 187 Cb 0.20 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 2wgg n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wgg n GLY 188 N 1.41 0.80 0.10 3.03 0.00 -0.49 -4.96 105.19 105.08 2wgg n GLY 188 Ca 0.10 -0.24 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 2wgg n GLY 188 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wgg h ASP 189 N 0.00 0.00 -5.36 1.61 3.32 -1.34 -3.48 116.42 111.17 2wgg h ASP 189 Ca 0.00 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.90 2wgg h ASP 189 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 2wgg h ASP 189 CO 0.00 0.61 -0.58 0.00 -1.72 0.00 0.00 179.24 177.55 2wgg s ALA 190 N -2.90 0.60 -0.07 3.45 0.00 -0.94 -4.79 121.76 117.10 2wgg s ALA 190 Ca -0.02 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.69 2wgg s ALA 190 Cb 0.09 0.76 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 2wgg s ALA 190 CO 0.80 -0.50 0.11 -0.25 0.00 0.00 0.00 175.76 175.92 2wgg n ASP 191 N -0.09 2.41 -3.82 0.00 8.00 -0.34 -4.30 116.55 118.41 2wgg n ASP 191 Ca -0.07 -0.26 -0.12 0.00 0.71 0.00 0.00 54.79 55.04 2wgg n ASP 191 Cb 0.63 1.09 -0.13 0.00 -0.02 0.00 0.00 41.12 42.69 2wgg n ASP 191 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2wgg s VAL 192 N -1.84 -0.00 -0.09 2.53 0.11 -1.11 -1.25 120.40 118.74 2wgg s VAL 192 Ca -0.00 0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.00 2wgg s VAL 192 Cb 0.02 -0.20 0.03 0.00 -1.53 0.00 0.00 36.38 34.71 2wgg s VAL 192 CO 0.14 0.01 0.23 0.00 -3.33 0.00 0.00 175.10 172.15 2wgg s ALA 193 N 0.17 -0.56 -0.13 1.54 0.00 0.90 -1.61 121.76 122.07 2wgg s ALA 193 Ca -0.01 0.78 -0.22 0.00 0.00 0.00 0.00 51.96 52.51 2wgg s ALA 193 Cb -0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 2wgg s ALA 193 CO -0.00 -0.14 0.64 0.08 0.00 0.00 0.00 175.76 176.34 2wgg s VAL 194 N 0.56 5.05 -0.03 0.00 1.01 -0.39 -1.34 120.40 125.27 2wgg s VAL 194 Ca -0.04 1.27 -0.17 0.00 0.00 0.00 0.00 61.98 63.05 2wgg s VAL 194 Cb -0.05 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.39 2wgg s VAL 194 CO -0.03 0.20 0.36 0.00 0.00 0.00 0.00 175.10 175.62 2wgg n GLY 196 N 1.33 -0.43 3.43 0.00 0.00 -0.65 -0.86 105.19 108.01 2wgg n GLY 196 Ca -0.21 -0.73 -0.16 0.00 0.00 0.00 0.00 46.02 44.93 2wgg n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wgg s GLY 197 N 0.00 -0.43 0.21 -0.02 0.00 -0.73 -0.64 107.32 105.70 2wgg s GLY 197 Ca 0.00 1.12 0.05 0.00 0.00 0.00 0.00 44.72 45.88 2wgg s GLY 197 CO 0.00 0.83 -0.06 -1.34 0.00 0.00 0.00 173.10 172.53 2wgg s VAL 198 N -0.87 1.25 0.08 1.40 -7.23 -0.91 -1.83 120.40 112.28 2wgg s VAL 198 Ca -0.09 -2.08 -0.25 0.00 -1.81 0.00 0.00 61.98 57.75 2wgg s VAL 198 Cb -0.02 -2.17 0.07 0.00 0.56 0.00 0.00 36.38 34.81 2wgg s VAL 198 CO 0.06 -0.49 0.60 -0.70 -0.31 0.00 0.00 175.10 174.27 2wgg s GLU 199 N -3.78 1.17 0.94 4.82 2.56 -1.26 -3.82 118.70 119.33 2wgg s GLU 199 Ca 0.24 -0.23 -0.13 0.00 0.00 0.00 0.00 54.97 54.86 2wgg s GLU 199 Cb 0.04 0.54 0.16 0.00 2.00 0.00 0.00 34.13 36.86 2wgg s GLU 199 CO 0.06 -0.46 1.14 0.20 -0.56 0.00 0.00 175.26 175.65 2wgg s GLY 200 N -2.16 1.58 0.84 -1.50 0.00 -1.26 -4.82 107.32 99.99 2wgg s GLY 200 Ca -0.03 -0.57 -0.12 0.00 0.00 0.00 0.00 44.72 44.00 2wgg s GLY 200 CO -0.04 0.03 1.12 2.56 0.00 0.00 0.00 173.10 176.77 2wgg s PRO 201 N -5.28 1.77 0.12 2.90 0.04 -1.26 -4.89 135.00 128.40 2wgg s PRO 201 Ca 0.65 0.44 -0.31 0.00 0.04 0.00 0.00 61.00 61.82 2wgg s PRO 201 Cb -0.14 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 2wgg s PRO 201 CO 0.54 -1.80 1.77 0.42 0.04 0.00 0.00 177.00 177.97 2wgg s ILE 202 N -3.26 2.61 0.12 0.56 1.01 -1.26 -5.01 121.20 115.97 2wgg s ILE 202 Ca 0.62 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 61.41 2wgg s ILE 202 Cb -0.14 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.19 2wgg s ILE 202 CO 0.53 0.00 0.07 -1.61 0.00 0.00 0.00 174.94 173.94 2wgg s GLU 203 N 2.51 0.89 0.18 2.79 0.41 -1.26 -5.08 118.70 119.14 2wgg s GLU 203 Ca 0.78 -1.35 -0.14 0.00 -0.41 0.00 0.00 54.97 53.86 2wgg s GLU 203 Cb -0.45 0.26 0.07 0.00 -1.78 0.00 0.00 34.13 32.23 2wgg s GLU 203 CO 0.35 -0.25 1.84 0.00 -0.49 0.00 0.00 175.26 176.70 2wgg h ALA 204 N 2.87 0.68 -0.20 5.21 0.00 -1.94 -2.85 119.26 123.04 2wgg h ALA 204 Ca -0.34 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2wgg h ALA 204 Cb 1.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2wgg h ALA 204 CO 0.59 0.11 -0.01 1.25 0.00 0.00 0.00 179.25 181.19 2wgg h LEU 205 N 0.72 0.35 -1.18 0.00 5.85 -1.99 -0.94 115.31 118.13 2wgg h LEU 205 Ca 0.20 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.64 2wgg h LEU 205 Cb -0.07 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 2wgg h LEU 205 CO -0.05 0.59 0.57 -0.65 -0.34 0.00 0.00 178.44 178.56 2wgg h PRO 206 N 0.10 1.02 -0.56 5.25 0.11 -1.96 -0.30 132.00 135.66 2wgg h PRO 206 Ca 0.05 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 2wgg h PRO 206 Cb 0.42 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.27 2wgg h PRO 206 CO 0.01 0.67 0.11 0.82 -0.21 0.00 0.00 178.00 179.41 2wgg h ILE 207 N 1.05 1.25 0.18 4.15 2.04 -1.33 -1.74 117.51 123.11 2wgg h ILE 207 Ca 0.35 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2wgg h ILE 207 Cb 0.08 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2wgg h ILE 207 CO -0.11 0.34 -0.08 0.00 0.00 0.00 0.00 178.15 178.29 2wgg h ALA 208 N 1.01 -0.24 -0.21 1.87 0.00 -0.66 0.17 119.26 121.20 2wgg h ALA 208 Ca 0.17 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2wgg h ALA 208 Cb 0.38 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 2wgg h ALA 208 CO 0.01 -0.57 -0.06 0.00 0.00 0.00 0.00 179.25 178.63 2wgg h ALA 209 N 0.45 0.13 -0.08 0.00 0.00 -1.05 -1.55 119.26 117.17 2wgg h ALA 209 Ca -0.02 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2wgg h ALA 209 Cb 0.28 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2wgg h ALA 209 CO 0.04 -0.48 -0.50 0.74 0.00 0.00 0.00 179.25 179.05 2wgg h PHE 210 N -0.01 0.25 0.00 0.00 0.04 -1.30 -3.16 116.94 112.76 2wgg h PHE 210 Ca 0.10 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2wgg h PHE 210 Cb 0.16 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 2wgg h PHE 210 CO -0.23 0.66 -0.10 0.66 -0.60 0.00 0.00 178.31 178.71 2wgg h SER 211 N 0.16 0.00 0.71 2.17 4.64 -0.64 -2.40 113.55 118.19 2wgg h SER 211 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2wgg h SER 211 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2wgg h SER 211 CO 0.07 0.10 0.00 0.24 -0.87 0.00 0.00 176.83 176.37 2wgg h MET 212 N 0.00 0.00 -0.01 4.77 2.86 -1.25 0.96 114.93 122.26 2wgg h MET 212 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wgg h MET 212 Cb 0.96 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2wgg h MET 212 CO 0.01 0.00 -0.19 -1.33 1.06 0.00 0.00 176.91 176.46 2wgg n MET 213 N -3.05 0.82 -3.61 1.72 2.00 -0.91 -4.95 117.12 109.14 2wgg n MET 213 Ca -0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 57.70 57.07 2wgg n MET 213 Cb 0.23 -1.49 0.05 0.00 0.00 0.00 0.00 33.22 32.01 2wgg n MET 213 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2wgg n ARG 214 N -0.72 -4.82 -0.00 0.03 1.74 0.33 -4.92 116.66 108.30 2wgg n ARG 214 Ca 0.13 0.68 0.04 0.00 -0.77 0.00 0.00 57.85 57.93 2wgg n ARG 214 Cb 0.32 -5.30 -0.06 0.00 -1.02 0.00 0.00 32.46 26.40 2wgg n ARG 214 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wgg n ALA 215 N -4.15 2.87 -2.77 7.54 0.00 -1.21 -5.00 120.51 117.78 2wgg n ALA 215 Ca -0.27 -0.23 -0.31 0.00 0.00 0.00 0.00 53.44 52.63 2wgg n ALA 215 Cb 0.67 -0.31 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 2wgg n ALA 215 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2wgg s MET 216 N -2.07 2.91 0.24 0.00 -1.94 -1.26 -1.11 119.30 116.08 2wgg s MET 216 Ca 0.01 -0.64 -0.30 0.00 -1.71 0.00 0.00 55.69 53.05 2wgg s MET 216 Cb 0.06 -2.75 -0.09 0.00 2.01 0.00 0.00 34.83 34.06 2wgg s MET 216 CO 0.36 0.59 1.33 0.45 -0.01 0.00 0.00 175.02 177.73 2wgg s SER 217 N -2.18 6.83 -0.21 3.03 0.15 -0.30 -4.61 113.70 116.40 2wgg s SER 217 Ca 0.27 2.52 0.14 0.00 0.70 0.00 0.00 55.95 59.58 2wgg s SER 217 Cb -0.12 -2.62 0.46 0.00 -1.71 0.00 0.00 66.02 62.03 2wgg s SER 217 CO 0.19 -0.55 1.36 0.35 1.20 0.00 0.00 173.24 175.79 2wgg n THR 218 N 2.07 2.30 -1.42 6.45 -2.24 -1.26 -4.81 114.28 115.37 2wgg n THR 218 Ca 0.04 -2.42 -0.40 0.00 -2.27 0.00 0.00 64.05 59.01 2wgg n THR 218 Cb 0.42 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 2wgg n THR 218 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wgg n ARG 219 N -0.99 2.59 0.26 -0.78 0.63 -1.26 -4.69 116.66 112.42 2wgg n ARG 219 Ca 0.24 -2.23 0.15 0.00 -0.92 0.00 0.00 57.85 55.09 2wgg n ARG 219 Cb 0.87 -3.03 0.63 0.00 0.45 0.00 0.00 32.46 31.38 2wgg n ARG 219 CO 0.00 0.00 0.00 -0.91 -2.51 0.00 0.00 177.63 174.21 2wgg h ASN 220 N 6.33 0.00 1.10 6.15 -0.26 -1.92 -3.20 115.58 123.78 2wgg h ASN 220 Ca 0.58 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 56.17 2wgg h ASN 220 Cb 0.54 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.78 2wgg h ASN 220 CO 1.85 0.07 -0.70 -2.24 -1.06 0.00 0.00 177.43 175.35 2wgg h ASP 221 N 0.00 0.00 -2.44 5.81 2.03 -1.98 -3.38 116.42 116.47 2wgg h ASP 221 Ca -0.00 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.71 2wgg h ASP 221 Cb 0.56 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 38.66 2wgg h ASP 221 CO 0.01 0.70 -0.80 -0.62 -1.03 0.00 0.00 179.24 177.50 2wgg n GLU 222 N -3.39 1.32 -0.16 4.15 1.02 -1.21 -5.02 120.64 117.35 2wgg n GLU 222 Ca 0.01 -3.90 -0.03 0.00 -0.02 0.00 0.00 57.16 53.21 2wgg n GLU 222 Cb 0.77 -1.88 0.04 0.00 -0.02 0.00 0.00 31.44 30.36 2wgg n GLU 222 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2wgg h PRO 223 N 4.85 0.01 0.00 3.49 0.11 -1.75 0.27 132.00 138.99 2wgg h PRO 223 Ca 0.18 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2wgg h PRO 223 Cb 0.80 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2wgg h PRO 223 CO 0.60 0.01 0.00 0.93 -0.21 0.00 0.00 178.00 179.33 2wgg h GLU 224 N 0.02 0.00 -0.03 1.05 5.08 -1.92 -2.59 114.58 116.18 2wgg h GLU 224 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2wgg h GLU 224 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2wgg h GLU 224 CO -0.51 0.00 -0.06 0.54 -1.00 0.00 0.00 179.01 177.98 2wgg n ARG 225 N -2.48 1.98 0.04 2.33 1.74 0.94 -4.62 116.66 116.58 2wgg n ARG 225 Ca -0.02 -1.71 -0.12 0.00 -0.77 0.00 0.00 57.85 55.23 2wgg n ARG 225 Cb 0.05 -1.43 -0.09 0.00 -1.02 0.00 0.00 32.46 29.97 2wgg n ARG 225 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wgg h ALA 226 N 4.25 -0.14 -1.48 7.54 0.00 -1.14 -3.42 119.26 124.88 2wgg h ALA 226 Ca 0.00 -0.23 -0.53 0.00 0.00 0.00 0.00 54.91 54.15 2wgg h ALA 226 Cb 0.90 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 2wgg h ALA 226 CO 0.00 -0.32 1.15 0.45 0.00 0.00 0.00 179.25 180.53 2wgg s SER 227 N -5.52 5.91 -0.55 0.00 0.15 -1.26 -4.65 113.70 107.78 2wgg s SER 227 Ca -0.15 0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.59 2wgg s SER 227 Cb 0.01 -2.55 0.35 0.00 -1.71 0.00 0.00 66.02 62.13 2wgg s SER 227 CO 0.59 -1.93 0.97 0.54 1.20 0.00 0.00 173.24 174.61 2wgg n ARG 228 N 9.06 3.19 -1.68 5.44 1.74 -1.26 -4.45 116.66 128.70 2wgg n ARG 228 Ca 0.11 -4.76 -0.44 0.00 -0.77 0.00 0.00 57.85 51.99 2wgg n ARG 228 Cb 0.50 -2.22 -0.02 0.00 -1.02 0.00 0.00 32.46 29.70 2wgg n ARG 228 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2wgg n PRO 229 N -0.27 2.10 -0.47 5.56 -0.02 -1.26 -1.55 135.00 139.09 2wgg n PRO 229 Ca 0.32 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.54 2wgg n PRO 229 Cb 0.44 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2wgg n PRO 229 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2wgg n PHE 230 N 1.56 0.00 -2.73 6.00 3.72 -1.26 -4.80 117.46 119.94 2wgg n PHE 230 Ca 0.10 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.15 2wgg n PHE 230 Cb 0.33 -1.13 -0.06 0.00 -0.94 0.00 0.00 39.48 37.68 2wgg n PHE 230 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2wgg s ASP 231 N -2.23 6.96 0.49 4.37 2.15 -0.59 -3.48 116.67 124.33 2wgg s ASP 231 Ca 0.00 1.82 0.14 0.00 0.43 0.00 0.00 52.55 54.94 2wgg s ASP 231 Cb 0.00 -2.56 1.16 0.00 -0.30 0.00 0.00 42.92 41.22 2wgg s ASP 231 CO 0.00 -0.35 2.11 0.50 -0.17 0.00 0.00 175.17 177.26 2wgg h LYS 232 N 2.34 0.16 -0.53 4.34 3.64 -0.56 -3.00 116.57 122.95 2wgg h LYS 232 Ca -0.48 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.79 2wgg h LYS 232 Cb 1.19 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 2wgg h LYS 232 CO 0.62 0.11 0.09 -0.25 -2.27 0.00 0.00 179.45 177.75 2wgg n ASP 233 N -4.51 4.66 -4.77 4.20 8.00 -1.26 -4.99 116.55 117.88 2wgg n ASP 233 Ca 0.00 -3.13 -0.37 0.00 0.71 0.00 0.00 54.79 52.00 2wgg n ASP 233 Cb 0.13 -0.67 -0.02 0.00 -0.02 0.00 0.00 41.12 40.55 2wgg n ASP 233 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wgg s ARG 234 N -2.91 3.86 -0.18 -1.24 1.70 -1.14 -4.97 118.95 114.07 2wgg s ARG 234 Ca 0.51 1.75 0.23 0.00 -0.47 0.00 0.00 55.73 57.74 2wgg s ARG 234 Cb 0.41 -2.46 0.48 0.00 -0.57 0.00 0.00 34.95 32.80 2wgg s ARG 234 CO 0.12 -0.46 1.14 -0.40 -1.08 0.00 0.00 175.30 174.61 2wgg n ASP 235 N -0.35 1.60 0.00 -2.89 5.75 -1.24 -4.74 116.55 114.68 2wgg n ASP 235 Ca 0.07 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 2wgg n ASP 235 Cb 0.48 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 2wgg n ASP 235 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wgg n GLY 236 N -0.27 1.52 3.89 6.12 0.00 -0.18 -2.81 105.19 113.46 2wgg n GLY 236 Ca 0.09 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 2wgg n GLY 236 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2wgg s PHE 237 N -1.61 3.44 -0.11 1.61 -0.12 -0.26 -3.71 117.98 117.22 2wgg s PHE 237 Ca 0.00 1.03 0.02 0.00 -0.05 0.00 0.00 56.93 57.93 2wgg s PHE 237 Cb 0.00 -2.82 0.01 0.00 -0.63 0.00 0.00 43.02 39.59 2wgg s PHE 237 CO 0.00 -0.86 -0.16 0.08 -0.05 0.00 0.00 175.22 174.23 2wgg s VAL 238 N -3.17 1.54 0.20 -2.49 1.01 -1.26 -1.15 120.40 115.07 2wgg s VAL 238 Ca 0.55 -0.67 -0.32 0.00 0.00 0.00 0.00 61.98 61.54 2wgg s VAL 238 Cb -0.11 -1.40 -0.13 0.00 0.00 0.00 0.00 36.38 34.75 2wgg s VAL 238 CO 0.51 0.45 1.65 0.49 0.00 0.00 0.00 175.10 178.19 2wgg n PHE 239 N 4.18 2.57 -3.70 5.22 3.72 -1.26 0.01 117.46 128.20 2wgg n PHE 239 Ca -0.19 0.15 -0.19 0.00 -0.05 0.00 0.00 57.45 57.17 2wgg n PHE 239 Cb 0.51 -2.61 -0.18 0.00 -0.94 0.00 0.00 39.48 36.26 2wgg n PHE 239 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2wgg s GLY 240 N 0.99 0.22 0.56 1.37 0.00 -0.72 -1.51 107.32 108.23 2wgg s GLY 240 Ca 0.75 0.18 -0.19 0.00 0.00 0.00 0.00 44.72 45.46 2wgg s GLY 240 CO 0.36 1.25 1.12 -0.54 0.00 0.00 0.00 173.10 175.29 2wgg s GLU 241 N 1.97 3.27 -0.28 2.90 2.02 0.12 -3.17 118.70 125.54 2wgg s GLU 241 Ca 0.03 1.55 -0.30 0.00 0.02 0.00 0.00 54.97 56.27 2wgg s GLU 241 Cb -0.12 -2.00 0.19 0.00 0.10 0.00 0.00 34.13 32.30 2wgg s GLU 241 CO -0.03 -0.90 1.35 0.00 0.02 0.00 0.00 175.26 175.69 2wgg s ALA 242 N -1.90 -2.12 -0.09 5.21 0.00 -1.26 -3.09 121.76 118.50 2wgg s ALA 242 Ca 0.71 1.88 -0.10 0.00 0.00 0.00 0.00 51.96 54.45 2wgg s ALA 242 Cb -0.23 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.50 2wgg s ALA 242 CO 0.29 -0.26 0.28 0.20 0.00 0.00 0.00 175.76 176.27 2wgg s GLY 243 N -1.09 -0.20 -0.15 0.00 0.00 -0.97 -4.16 107.32 100.76 2wgg s GLY 243 Ca 0.09 0.72 -0.13 0.00 0.00 0.00 0.00 44.72 45.40 2wgg s GLY 243 CO -0.07 0.60 0.39 0.00 0.00 0.00 0.00 173.10 174.01 2wgg s ALA 244 N -0.05 -0.96 0.10 3.20 0.00 -0.76 -1.12 121.76 122.17 2wgg s ALA 244 Ca -0.02 1.15 0.04 0.00 0.00 0.00 0.00 51.96 53.12 2wgg s ALA 244 Cb -0.03 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 2wgg s ALA 244 CO 0.01 -0.19 -0.10 -0.51 0.00 0.00 0.00 175.76 174.97 2wgg s LEU 245 N 0.40 2.42 0.09 0.00 1.43 -0.40 -1.78 118.68 120.84 2wgg s LEU 245 Ca -0.02 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 2wgg s LEU 245 Cb -0.04 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 2wgg s LEU 245 CO -0.02 -0.29 -0.07 0.00 0.23 0.00 0.00 176.35 176.21 2wgg s MET 246 N -2.95 0.77 -0.23 1.70 0.23 -0.04 -1.00 119.30 117.79 2wgg s MET 246 Ca 0.07 -1.22 -0.06 0.00 -1.03 0.00 0.00 55.69 53.44 2wgg s MET 246 Cb -0.02 -0.21 -0.02 0.00 -1.53 0.00 0.00 34.83 33.05 2wgg s MET 246 CO -0.00 -0.01 0.02 -1.17 -2.03 0.00 0.00 175.02 171.83 2wgg s LEU 247 N -2.76 3.25 0.14 0.18 2.96 -0.18 -1.97 118.68 120.29 2wgg s LEU 247 Ca 0.08 -0.25 0.10 0.00 -0.22 0.00 0.00 54.13 53.83 2wgg s LEU 247 Cb 0.02 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 2wgg s LEU 247 CO -0.04 -0.01 -0.23 0.27 -1.32 0.00 0.00 176.35 175.02 2wgg s ILE 248 N 1.45 2.50 0.11 6.68 -4.36 -0.45 -0.24 121.20 126.90 2wgg s ILE 248 Ca 0.05 -1.72 -0.25 0.00 -0.26 0.00 0.00 60.65 58.48 2wgg s ILE 248 Cb -0.15 -2.14 0.08 0.00 1.25 0.00 0.00 42.46 41.50 2wgg s ILE 248 CO 0.01 0.05 0.72 -1.83 0.24 0.00 0.00 174.94 174.13 2wgg s GLU 249 N -2.22 1.16 0.55 0.37 -1.05 -0.68 -0.07 118.70 116.77 2wgg s GLU 249 Ca 0.17 -0.46 -0.21 0.00 -0.15 0.00 0.00 54.97 54.31 2wgg s GLU 249 Cb -0.10 0.51 -0.05 0.00 -0.44 0.00 0.00 34.13 34.06 2wgg s GLU 249 CO 0.08 -0.51 1.33 0.25 0.95 0.00 0.00 175.26 177.36 2wgg n THR 250 N -0.35 3.90 -0.32 1.83 -2.24 -0.38 -0.52 114.28 116.20 2wgg n THR 250 Ca -0.13 -0.50 0.07 0.00 -2.27 0.00 0.00 64.05 61.22 2wgg n THR 250 Cb 0.63 -1.62 0.26 0.00 -2.10 0.00 0.00 70.33 67.50 2wgg n THR 250 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2wgg h GLU 251 N 1.32 0.93 0.22 -0.78 4.81 -1.02 -1.61 114.58 118.46 2wgg h GLU 251 Ca -0.51 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.68 2wgg h GLU 251 Cb 1.31 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2wgg h GLU 251 CO 0.56 0.61 -0.46 1.49 -0.73 0.00 0.00 179.01 180.48 2wgg h GLU 252 N 0.96 -0.74 -0.65 1.92 4.81 -1.90 -0.43 114.58 118.55 2wgg h GLU 252 Ca 0.44 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.85 2wgg h GLU 252 Cb 0.40 0.17 -0.10 0.00 0.63 0.00 0.00 28.75 29.85 2wgg h GLU 252 CO -0.20 -0.49 0.12 1.25 -0.73 0.00 0.00 179.01 178.95 2wgg h HIS 253 N -0.77 0.18 -0.08 0.92 2.76 -1.81 -1.25 115.15 115.09 2wgg h HIS 253 Ca -0.01 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2wgg h HIS 253 Cb 0.75 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.73 2wgg h HIS 253 CO -0.35 -0.08 0.03 0.00 -1.30 0.00 0.00 177.93 176.23 2wgg h ALA 254 N 1.54 0.11 -0.01 5.26 0.00 -1.04 -2.81 119.26 122.30 2wgg h ALA 254 Ca 0.35 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.20 2wgg h ALA 254 Cb 0.56 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2wgg h ALA 254 CO -0.47 -0.31 -0.15 -0.22 0.00 0.00 0.00 179.25 178.10 2wgg h LYS 255 N -0.02 -0.24 -0.93 0.00 3.11 -0.73 -0.52 116.57 117.24 2wgg h LYS 255 Ca 0.03 0.02 0.20 0.00 -2.81 0.00 0.00 60.65 58.08 2wgg h LYS 255 Cb 0.16 0.05 -0.08 0.00 -1.00 0.00 0.00 32.23 31.36 2wgg h LYS 255 CO -0.00 -0.16 0.60 0.00 -2.81 0.00 0.00 179.45 177.08 2wgg h ALA 256 N 0.71 2.03 -0.32 5.00 0.00 -1.12 0.16 119.26 125.72 2wgg h ALA 256 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wgg h ALA 256 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wgg h ALA 256 CO -0.16 -0.34 0.00 2.89 0.00 0.00 0.00 179.25 181.64 2wgg n ARG 257 N -4.58 2.16 -1.77 0.00 1.85 -1.02 -4.96 116.66 108.34 2wgg n ARG 257 Ca 0.20 -1.76 -0.14 0.00 -1.00 0.00 0.00 57.85 55.16 2wgg n ARG 257 Cb 0.65 -1.45 -0.04 0.00 -1.05 0.00 0.00 32.46 30.57 2wgg n ARG 257 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wgg n GLY 258 N 1.33 0.75 3.72 2.89 0.00 0.57 -5.01 105.19 109.44 2wgg n GLY 258 Ca 0.18 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2wgg n GLY 258 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wgg s ALA 259 N -2.59 3.45 -0.33 4.61 0.00 -0.28 -5.00 121.76 121.62 2wgg s ALA 259 Ca 0.00 0.94 -0.19 0.00 0.00 0.00 0.00 51.96 52.70 2wgg s ALA 259 Cb 0.00 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 2wgg s ALA 259 CO 0.00 -0.47 0.57 0.21 0.00 0.00 0.00 175.76 176.08 2wgg s LYS 260 N 0.82 3.76 0.48 0.00 2.47 -1.26 -4.48 119.74 121.53 2wgg s LYS 260 Ca 0.59 0.07 -0.23 0.00 -1.56 0.00 0.00 55.97 54.84 2wgg s LYS 260 Cb -0.32 -3.77 -0.07 0.00 -1.46 0.00 0.00 37.83 32.21 2wgg s LYS 260 CO 0.31 -0.61 1.29 -2.14 0.16 0.00 0.00 175.35 174.35 2wgg s PRO 261 N 2.52 3.59 0.07 4.03 0.02 -1.26 -4.83 135.00 139.14 2wgg s PRO 261 Ca 0.22 2.08 0.21 0.00 0.02 0.00 0.00 61.00 63.53 2wgg s PRO 261 Cb -0.15 -2.46 -0.16 0.00 0.02 0.00 0.00 34.50 31.75 2wgg s PRO 261 CO 0.13 -0.78 0.74 1.28 -0.33 0.00 0.00 177.00 178.03 2wgg n LEU 262 N -0.50 0.50 -3.86 -5.54 4.77 0.77 -4.91 117.00 108.22 2wgg n LEU 262 Ca 0.07 0.20 0.01 0.00 -0.03 0.00 0.00 56.01 56.26 2wgg n LEU 262 Cb 0.45 0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 2wgg n LEU 262 CO 0.52 -0.01 1.02 0.00 -1.33 0.00 0.00 177.39 177.59 2wgg s ALA 263 N -3.28 -2.21 -0.11 -1.18 0.00 -1.24 -4.19 121.76 109.56 2wgg s ALA 263 Ca -0.04 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.05 2wgg s ALA 263 Cb 0.11 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.92 2wgg s ALA 263 CO 0.84 -1.10 -0.09 1.03 0.00 0.00 0.00 175.76 176.44 2wgg s ARG 264 N -2.20 3.16 -0.41 0.00 0.52 0.33 -0.88 118.95 119.47 2wgg s ARG 264 Ca 0.23 -0.60 -0.15 0.00 -0.52 0.00 0.00 55.73 54.69 2wgg s ARG 264 Cb 0.00 -2.66 0.02 0.00 0.52 0.00 0.00 34.95 32.83 2wgg s ARG 264 CO -0.00 0.41 0.29 -1.17 0.02 0.00 0.00 175.30 174.85 2wgg s LEU 265 N -0.13 5.08 -0.05 2.53 2.96 -0.43 0.23 118.68 128.87 2wgg s LEU 265 Ca 0.01 -0.91 0.18 0.00 -0.22 0.00 0.00 54.13 53.18 2wgg s LEU 265 Cb -0.13 -2.15 -0.27 0.00 0.50 0.00 0.00 46.19 44.14 2wgg s LEU 265 CO 0.03 -0.45 0.34 0.18 -1.32 0.00 0.00 176.35 175.14 2wgg n LEU 266 N 5.15 0.00 0.00 -0.68 4.77 0.00 -4.33 117.00 121.90 2wgg n LEU 266 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2wgg n LEU 266 Cb 0.47 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2wgg n LEU 266 CO 0.41 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2wgg n GLY 267 N 1.54 0.63 3.30 -0.72 0.00 -1.16 -3.34 105.19 105.44 2wgg n GLY 267 Ca -0.08 -0.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 2wgg n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wgg s ALA 268 N -2.00 -1.06 -0.04 4.61 0.00 -1.26 -0.99 121.76 121.02 2wgg s ALA 268 Ca 0.00 1.38 0.04 0.00 0.00 0.00 0.00 51.96 53.38 2wgg s ALA 268 Cb 0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.30 2wgg s ALA 268 CO 0.00 -0.23 -0.17 0.20 0.00 0.00 0.00 175.76 175.56 2wgg s GLY 269 N 0.83 0.91 -0.12 0.00 0.00 0.35 -4.29 107.32 105.00 2wgg s GLY 269 Ca -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 43.99 2wgg s GLY 269 CO -0.06 -0.34 -0.11 -0.42 0.00 0.00 0.00 173.10 172.17 2wgg s ILE 270 N 0.06 1.28 0.38 0.90 1.01 -1.26 -1.10 121.20 122.47 2wgg s ILE 270 Ca -0.04 -0.46 0.04 0.00 0.00 0.00 0.00 60.65 60.18 2wgg s ILE 270 Cb -0.12 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 2wgg s ILE 270 CO 0.02 0.41 0.13 0.35 0.00 0.00 0.00 174.94 175.85 2wgg n THR 271 N 4.73 0.00 -4.10 2.92 -2.24 -0.63 -4.95 114.28 110.01 2wgg n THR 271 Ca -0.15 -2.20 -0.08 0.00 -2.27 0.00 0.00 64.05 59.34 2wgg n THR 271 Cb 0.50 0.79 -0.10 0.00 -2.10 0.00 0.00 70.33 69.42 2wgg n THR 271 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wgg s SER 272 N -3.32 0.62 0.06 3.42 1.04 -1.26 -1.62 113.70 112.64 2wgg s SER 272 Ca 0.19 -0.96 0.11 0.00 0.48 0.00 0.00 55.95 55.77 2wgg s SER 272 Cb 0.01 0.17 -0.19 0.00 0.10 0.00 0.00 66.02 66.11 2wgg s SER 272 CO 0.13 -0.54 1.00 0.44 0.98 0.00 0.00 173.24 175.25 2wgg h ASP 273 N 3.23 0.00 -6.91 7.02 3.32 -1.44 -3.46 116.42 118.18 2wgg h ASP 273 Ca -0.34 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 56.29 2wgg h ASP 273 Cb 1.15 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.65 2wgg h ASP 273 CO 0.64 0.92 -0.68 0.00 -1.72 0.00 0.00 179.24 178.40 2wgg n ALA 274 N -2.43 -1.97 0.07 3.45 0.00 -1.26 -4.88 120.51 113.50 2wgg n ALA 274 Ca -0.08 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2wgg n ALA 274 Cb 0.96 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2wgg n ALA 274 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wgg n PHE 275 N -3.65 -0.64 -3.73 0.00 7.35 -1.26 -5.13 117.46 110.39 2wgg n PHE 275 Ca -0.12 0.11 -0.13 0.00 -0.76 0.00 0.00 57.45 56.55 2wgg n PHE 275 Cb 0.41 0.15 -0.08 0.00 0.35 0.00 0.00 39.48 40.30 2wgg n PHE 275 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 2wgg s HIS 276 N -1.98 -0.22 0.34 -5.13 2.46 -1.25 -5.06 115.29 104.44 2wgg s HIS 276 Ca 0.00 0.30 0.04 0.00 0.47 0.00 0.00 55.06 55.86 2wgg s HIS 276 Cb 0.00 0.14 0.61 0.00 -0.13 0.00 0.00 32.58 33.19 2wgg s HIS 276 CO 0.00 -0.44 1.90 0.52 -2.47 0.00 0.00 174.74 174.25 2wgg h MET 277 N 3.61 0.60 0.00 2.88 2.86 -2.00 -3.35 114.93 119.53 2wgg h MET 277 Ca -0.30 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 2wgg h MET 277 Cb 1.18 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2wgg h MET 277 CO 0.41 0.56 -0.32 1.33 1.06 0.00 0.00 176.91 179.94 2wgg n VAL 278 N -4.32 0.31 -3.89 -2.22 0.24 -1.26 0.12 118.33 107.31 2wgg n VAL 278 Ca 0.02 -0.37 -0.15 0.00 -2.04 0.00 0.00 64.34 61.81 2wgg n VAL 278 Cb 0.20 0.48 -0.15 0.00 -1.47 0.00 0.00 33.84 32.89 2wgg n VAL 278 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wgg s ALA 279 N -0.46 0.15 0.44 2.33 0.00 -1.26 -4.97 121.76 118.00 2wgg s ALA 279 Ca 0.05 0.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.88 2wgg s ALA 279 Cb 0.04 -0.16 -0.08 0.00 0.00 0.00 0.00 23.12 22.92 2wgg s ALA 279 CO 0.00 -0.04 1.17 -1.25 0.00 0.00 0.00 175.76 175.65 2wgg s PRO 280 N 0.55 3.83 0.16 0.00 0.04 -1.26 -3.94 135.00 134.38 2wgg s PRO 280 Ca -0.05 1.81 -0.34 0.00 0.04 0.00 0.00 61.00 62.46 2wgg s PRO 280 Cb -0.07 -2.48 -0.14 0.00 0.04 0.00 0.00 34.50 31.85 2wgg s PRO 280 CO -0.01 -0.50 1.55 0.00 0.04 0.00 0.00 177.00 178.08 2wgg n ALA 281 N -0.34 1.21 0.24 8.56 0.00 -1.26 -4.87 120.51 124.05 2wgg n ALA 281 Ca 0.06 0.45 0.09 0.00 0.00 0.00 0.00 53.44 54.04 2wgg n ALA 281 Cb 0.47 -2.33 0.61 0.00 0.00 0.00 0.00 19.45 18.20 2wgg n ALA 281 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wgg h ALA 282 N 5.72 1.42 0.00 0.00 0.00 -1.93 -2.96 119.26 121.51 2wgg h ALA 282 Ca -0.45 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2wgg h ALA 282 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2wgg h ALA 282 CO 0.87 0.22 0.00 -0.40 0.00 0.00 0.00 179.25 179.94 2wgg n ASP 283 N -3.91 0.00 -0.31 0.00 5.68 -1.26 -4.45 116.55 112.30 2wgg n ASP 283 Ca -0.02 0.24 -0.04 0.00 -0.50 0.00 0.00 54.79 54.48 2wgg n ASP 283 Cb 0.26 -0.40 -0.02 0.00 -1.14 0.00 0.00 41.12 39.83 2wgg n ASP 283 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wgg n GLY 284 N 0.62 0.36 0.12 6.12 0.00 -1.12 -4.53 105.19 106.76 2wgg n GLY 284 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 2wgg n GLY 284 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wgg h VAL 285 N 0.00 1.03 -0.26 1.61 2.07 -1.88 0.17 116.25 119.00 2wgg h VAL 285 Ca -0.08 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 2wgg h VAL 285 Cb 0.94 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2wgg h VAL 285 CO 0.11 0.19 -0.09 0.03 0.02 0.00 0.00 177.57 177.84 2wgg h ARG 286 N -0.58 0.52 -0.68 1.57 2.47 -1.90 -0.55 114.38 115.23 2wgg h ARG 286 Ca -0.02 -0.21 0.14 0.00 -1.26 0.00 0.00 59.98 58.63 2wgg h ARG 286 Cb 0.45 -0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 28.65 2wgg h ARG 286 CO 0.03 0.75 0.14 0.00 0.56 0.00 0.00 179.97 181.45 2wgg h ALA 287 N 0.75 0.84 -0.70 0.04 0.00 -1.88 -1.24 119.26 117.06 2wgg h ALA 287 Ca 0.06 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2wgg h ALA 287 Cb 0.57 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2wgg h ALA 287 CO 0.03 -0.33 0.28 0.78 0.00 0.00 0.00 179.25 180.01 2wgg h GLY 288 N 0.25 1.10 2.00 0.00 0.00 -0.38 -2.57 103.07 103.47 2wgg h GLY 288 Ca 0.37 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 2wgg h GLY 288 CO -0.48 0.54 -0.31 -0.09 0.00 0.00 0.00 176.54 176.21 2wgg h ARG 289 N 1.01 0.00 -0.70 4.80 9.65 0.01 -1.61 114.38 127.54 2wgg h ARG 289 Ca 0.24 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 2wgg h ARG 289 Cb 0.18 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.73 2wgg h ARG 289 CO -0.02 0.31 0.44 0.00 2.80 0.00 0.00 179.97 183.50 2wgg h ALA 290 N 1.69 0.89 -0.25 2.80 0.00 -0.89 -0.07 119.26 123.42 2wgg h ALA 290 Ca -0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2wgg h ALA 290 Cb 0.61 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2wgg h ALA 290 CO 0.04 0.34 0.02 0.52 0.00 0.00 0.00 179.25 180.17 2wgg h MET 291 N 0.95 0.43 -0.50 0.00 2.86 -1.33 -2.26 114.93 115.08 2wgg h MET 291 Ca 0.25 -0.13 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 2wgg h MET 291 Cb -0.06 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.51 2wgg h MET 291 CO -0.05 0.59 0.25 1.15 1.06 0.00 0.00 176.91 179.91 2wgg h THR 292 N 0.22 0.96 -0.39 2.22 2.02 -1.25 -2.33 112.91 114.36 2wgg h THR 292 Ca 0.07 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.11 2wgg h THR 292 Cb 0.38 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 2wgg h THR 292 CO 0.01 0.09 0.20 -0.09 0.37 0.00 0.00 175.52 176.10 2wgg h ARG 293 N 0.50 0.39 -0.68 6.66 9.65 -0.86 0.10 114.38 130.14 2wgg h ARG 293 Ca 0.22 -0.02 0.07 0.00 -1.10 0.00 0.00 59.98 59.15 2wgg h ARG 293 Cb 0.13 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.58 2wgg h ARG 293 CO -0.15 0.26 0.45 0.66 2.80 0.00 0.00 179.97 183.98 2wgg h SER 294 N 0.40 0.59 -0.28 -3.80 4.64 -1.10 -0.60 113.55 113.40 2wgg h SER 294 Ca 0.16 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.34 2wgg h SER 294 Cb 0.07 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2wgg h SER 294 CO -0.11 0.37 -0.41 -0.07 -0.87 0.00 0.00 176.83 175.74 2wgg h LEU 295 N 0.66 0.85 0.13 5.97 3.38 -0.79 -0.27 115.31 125.25 2wgg h LEU 295 Ca 0.30 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.78 2wgg h LEU 295 Cb 0.31 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2wgg h LEU 295 CO -0.10 1.19 -0.36 -0.33 0.09 0.00 0.00 178.44 178.93 2wgg h GLU 296 N 0.53 -0.58 0.00 1.13 5.08 -0.09 0.23 114.58 120.88 2wgg h GLU 296 Ca 0.03 0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2wgg h GLU 296 Cb 1.01 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2wgg h GLU 296 CO 0.10 -0.39 -0.23 -0.07 -1.00 0.00 0.00 179.01 177.41 2wgg h LEU 297 N -0.60 0.00 -0.50 1.33 3.38 -1.15 -2.41 115.31 115.36 2wgg h LEU 297 Ca 0.02 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 2wgg h LEU 297 Cb 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2wgg h LEU 297 CO -0.20 0.23 -0.61 0.00 0.09 0.00 0.00 178.44 177.95 2wgg h ALA 298 N 1.77 0.78 -0.05 1.53 0.00 -0.71 -2.02 119.26 120.56 2wgg h ALA 298 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2wgg h ALA 298 Cb 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2wgg h ALA 298 CO 0.03 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.46 2wgg n GLY 299 N 0.67 0.73 3.64 0.00 0.00 0.60 -2.29 105.19 108.55 2wgg n GLY 299 Ca -0.00 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 2wgg n GLY 299 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wgg s LEU 300 N -0.05 3.19 0.24 0.99 1.43 -0.08 -4.84 118.68 119.56 2wgg s LEU 300 Ca 0.00 -0.58 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 2wgg s LEU 300 Cb 0.00 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 2wgg s LEU 300 CO 0.00 0.03 0.20 -0.44 0.23 0.00 0.00 176.35 176.38 2wgg s SER 301 N -3.40 5.59 0.50 2.29 0.01 -1.26 -4.45 113.70 112.98 2wgg s SER 301 Ca 0.30 -0.20 0.17 0.00 1.31 0.00 0.00 55.95 57.52 2wgg s SER 301 Cb -0.07 -1.45 1.21 0.00 0.21 0.00 0.00 66.02 65.92 2wgg s SER 301 CO 0.19 -0.02 2.07 -0.65 0.41 0.00 0.00 173.24 175.24 2wgg h PRO 302 N 1.61 0.13 0.00 12.44 0.11 -1.87 0.11 132.00 144.53 2wgg h PRO 302 Ca -0.49 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wgg h PRO 302 Cb 1.23 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wgg h PRO 302 CO 0.61 0.09 -0.02 0.00 -0.21 0.00 0.00 178.00 178.47 2wgg h ALA 303 N 1.85 1.10 0.00 -0.75 0.00 -1.95 -2.32 119.26 117.20 2wgg h ALA 303 Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2wgg h ALA 303 Cb 0.34 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2wgg h ALA 303 CO -0.02 0.02 -0.21 -0.44 0.00 0.00 0.00 179.25 178.61 2wgg h ASP 304 N 0.00 0.00 -3.29 0.00 3.32 -1.37 -3.44 116.42 111.65 2wgg h ASP 304 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 2wgg h ASP 304 Cb 0.15 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.65 2wgg h ASP 304 CO 0.00 0.21 0.99 -0.63 -1.72 0.00 0.00 179.24 178.09 2wgg s ILE 305 N -3.37 4.09 -0.17 0.35 -1.09 -0.87 -4.08 121.20 116.06 2wgg s ILE 305 Ca 0.03 1.18 0.20 0.00 -2.23 0.00 0.00 60.65 59.83 2wgg s ILE 305 Cb 0.08 -4.26 -0.09 0.00 -1.58 0.00 0.00 42.46 36.61 2wgg s ILE 305 CO 0.66 -0.66 0.88 0.47 -1.23 0.00 0.00 174.94 175.07 2wgg n ASP 306 N 8.03 0.78 -3.76 3.58 8.00 -0.10 -4.44 116.55 128.65 2wgg n ASP 306 Ca 0.15 0.32 -0.13 0.00 0.71 0.00 0.00 54.79 55.84 2wgg n ASP 306 Cb 0.47 0.43 -0.13 0.00 -0.02 0.00 0.00 41.12 41.87 2wgg n ASP 306 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2wgg s HIS 307 N -3.15 -0.23 -0.18 1.24 2.46 -1.15 -1.39 115.29 112.88 2wgg s HIS 307 Ca -0.02 0.59 -0.01 0.00 0.47 0.00 0.00 55.06 56.09 2wgg s HIS 307 Cb 0.09 0.01 0.00 0.00 -0.13 0.00 0.00 32.58 32.55 2wgg s HIS 307 CO 0.81 -0.17 -0.12 0.08 -2.47 0.00 0.00 174.74 172.86 2wgg s VAL 308 N 0.91 2.79 -0.61 0.89 1.01 -0.39 -0.65 120.40 124.35 2wgg s VAL 308 Ca -0.07 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.01 2wgg s VAL 308 Cb -0.08 -2.21 0.10 0.00 0.00 0.00 0.00 36.38 34.18 2wgg s VAL 308 CO -0.05 0.49 0.75 0.21 0.00 0.00 0.00 175.10 176.50 2wgg s ASN 309 N 1.15 6.18 0.33 3.32 3.84 0.14 -1.76 114.94 128.14 2wgg s ASN 309 Ca 0.01 -1.36 -0.27 0.00 0.21 0.00 0.00 52.86 51.45 2wgg s ASN 309 Cb -0.14 -2.32 -0.09 0.00 -0.55 0.00 0.00 41.25 38.14 2wgg s ASN 309 CO -0.04 -1.18 1.02 0.00 -2.79 0.00 0.00 177.10 174.11 2wgg s ALA 310 N 2.93 3.24 0.29 1.71 0.00 -0.51 -1.42 121.76 128.00 2wgg s ALA 310 Ca 0.13 0.69 -0.02 0.00 0.00 0.00 0.00 51.96 52.76 2wgg s ALA 310 Cb -0.23 -3.25 0.43 0.00 0.00 0.00 0.00 23.12 20.07 2wgg s ALA 310 CO 0.07 -0.03 1.94 1.25 0.00 0.00 0.00 175.76 178.99 2wgg h HIS 311 N 3.25 1.00 -5.03 0.00 2.76 -1.88 -3.41 115.15 111.85 2wgg h HIS 311 Ca -0.47 -0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 57.53 2wgg h HIS 311 Cb 1.21 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.84 2wgg h HIS 311 CO 0.60 0.67 -0.43 0.41 -1.30 0.00 0.00 177.93 177.87 2wgg n GLY 312 N -1.29 -0.31 0.14 5.26 0.00 -1.26 -4.80 105.19 102.93 2wgg n GLY 312 Ca 0.08 0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.53 2wgg n GLY 312 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2wgg h THR 313 N 0.60 0.00 -0.02 2.61 1.35 -1.93 -3.40 112.91 112.12 2wgg h THR 313 Ca -0.23 -0.51 -0.01 0.00 -0.55 0.00 0.00 66.41 65.10 2wgg h THR 313 Cb 0.53 1.46 -0.00 0.00 -1.73 0.00 0.00 68.15 68.40 2wgg h THR 313 CO 0.12 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 175.38 2wgg n ALA 314 N -1.86 -0.01 -1.77 6.62 0.00 -1.26 -3.50 120.51 118.73 2wgg n ALA 314 Ca 0.04 0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 2wgg n ALA 314 Cb 0.40 -0.22 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 2wgg n ALA 314 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2wgg s THR 315 N -1.95 4.18 0.15 0.00 -4.23 -1.26 -1.01 115.64 111.52 2wgg s THR 315 Ca 0.00 1.88 -0.16 0.00 -1.18 0.00 0.00 61.69 62.22 2wgg s THR 315 Cb 0.00 -4.07 0.03 0.00 1.34 0.00 0.00 72.50 69.79 2wgg s THR 315 CO 0.00 0.21 1.73 -0.65 -0.54 0.00 0.00 174.62 175.38 2wgg h PRO 316 N 3.37 0.19 0.38 3.99 0.11 -1.94 -2.77 132.00 135.33 2wgg h PRO 316 Ca -0.46 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 2wgg h PRO 316 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2wgg h PRO 316 CO 0.66 0.12 -0.18 0.97 -0.21 0.00 0.00 178.00 179.36 2wgg h ILE 317 N 0.19 0.62 0.21 4.15 6.09 -2.00 -3.16 117.51 123.62 2wgg h ILE 317 Ca 0.16 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.34 2wgg h ILE 317 Cb 0.18 0.78 -0.02 0.00 0.47 0.00 0.00 36.82 38.23 2wgg h ILE 317 CO -0.21 0.06 -0.23 1.23 -3.07 0.00 0.00 178.15 175.93 2wgg h GLY 318 N -0.70 -0.49 0.77 8.18 0.00 -1.95 -1.58 103.07 107.31 2wgg h GLY 318 Ca -0.05 0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.61 2wgg h GLY 318 CO 0.09 -0.21 0.62 -0.55 0.00 0.00 0.00 176.54 176.48 2wgg h ASP 319 N -0.48 0.96 -0.09 0.19 5.19 -1.63 -0.19 116.42 120.37 2wgg h ASP 319 Ca 0.00 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 2wgg h ASP 319 Cb 0.45 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.77 2wgg h ASP 319 CO -0.06 0.60 0.01 0.00 -3.12 0.00 0.00 179.24 176.67 2wgg h ALA 320 N 1.49 0.12 -0.72 3.45 0.00 -1.47 -0.62 119.26 121.52 2wgg h ALA 320 Ca 0.42 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.24 2wgg h ALA 320 Cb 0.22 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2wgg h ALA 320 CO -0.17 -0.22 0.39 0.00 0.00 0.00 0.00 179.25 179.25 2wgg h ALA 321 N 0.77 0.98 -0.52 0.00 0.00 -1.00 -2.09 119.26 117.41 2wgg h ALA 321 Ca 0.03 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2wgg h ALA 321 Cb 0.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2wgg h ALA 321 CO 0.00 0.04 -0.16 1.49 0.00 0.00 0.00 179.25 180.62 2wgg h GLU 322 N 0.69 1.03 -0.52 0.00 4.81 -0.92 -0.46 114.58 119.21 2wgg h GLU 322 Ca 0.34 -0.41 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2wgg h GLU 322 Cb 0.27 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 2wgg h GLU 322 CO -0.22 1.10 0.23 0.00 -0.73 0.00 0.00 179.01 179.39 2wgg h ALA 323 N 0.90 0.66 -0.73 2.92 0.00 -0.91 -0.65 119.26 121.44 2wgg h ALA 323 Ca 0.13 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2wgg h ALA 323 Cb 0.74 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2wgg h ALA 323 CO 0.06 -0.14 0.46 -0.91 0.00 0.00 0.00 179.25 178.72 2wgg h ASN 324 N 0.45 0.77 -0.22 0.00 2.35 -1.04 -2.28 115.58 115.60 2wgg h ASN 324 Ca 0.24 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.02 2wgg h ASN 324 Cb 0.20 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 2wgg h ASN 324 CO -0.20 0.53 -0.01 0.00 -1.65 0.00 0.00 177.43 176.10 2wgg h ALA 325 N 1.31 0.19 -0.83 -0.83 0.00 -0.39 -0.66 119.26 118.04 2wgg h ALA 325 Ca 0.29 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.28 2wgg h ALA 325 Cb 0.01 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2wgg h ALA 325 CO -0.11 -0.44 0.55 0.82 0.00 0.00 0.00 179.25 180.08 2wgg h ILE 326 N 0.06 1.20 -0.43 0.00 2.04 -0.95 -1.08 117.51 118.34 2wgg h ILE 326 Ca 0.11 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.61 2wgg h ILE 326 Cb 0.14 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 2wgg h ILE 326 CO -0.19 0.20 0.24 0.03 0.00 0.00 0.00 178.15 178.43 2wgg h ARG 327 N 1.11 0.47 -0.49 2.37 3.08 -1.23 -0.46 114.38 119.24 2wgg h ARG 327 Ca 0.31 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.35 2wgg h ARG 327 Cb -0.11 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 2wgg h ARG 327 CO -0.07 0.31 0.28 0.28 -1.07 0.00 0.00 179.97 179.70 2wgg h VAL 328 N 0.48 1.04 0.00 2.04 2.07 -0.70 -2.32 116.25 118.86 2wgg h VAL 328 Ca 0.18 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2wgg h VAL 328 Cb 0.05 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2wgg h VAL 328 CO -0.10 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2wgg h ALA 329 N 1.22 1.00 0.00 1.67 0.00 -1.09 -3.46 119.26 118.60 2wgg h ALA 329 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2wgg h ALA 329 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wgg h ALA 329 CO -0.10 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.56 2wgg n GLY 330 N 0.04 0.69 0.91 0.00 0.00 -0.87 -4.74 105.19 101.22 2wgg n GLY 330 Ca 0.02 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.65 2wgg n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wgg n ASP 332 N 0.07 0.00 0.00 0.00 5.75 -1.22 -2.01 116.55 119.15 2wgg n ASP 332 Ca 0.18 -0.05 0.13 0.00 -0.01 0.00 0.00 54.79 55.05 2wgg n ASP 332 Cb 0.73 -0.29 0.46 0.00 -1.03 0.00 0.00 41.12 41.00 2wgg n ASP 332 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wgg n GLN 333 N -1.29 0.01 -2.64 0.11 1.13 -1.26 -4.34 117.38 109.10 2wgg n GLN 333 Ca 0.11 0.01 -0.34 0.00 -1.94 0.00 0.00 57.00 54.84 2wgg n GLN 333 Cb 0.20 -1.51 -0.05 0.00 0.11 0.00 0.00 30.24 28.99 2wgg n GLN 333 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wgg s ALA 334 N -3.01 2.94 0.06 -1.58 0.00 -0.85 -4.97 121.76 114.36 2wgg s ALA 334 Ca 0.13 0.54 -0.31 0.00 0.00 0.00 0.00 51.96 52.32 2wgg s ALA 334 Cb 0.18 -3.22 -0.07 0.00 0.00 0.00 0.00 23.12 20.01 2wgg s ALA 334 CO 0.60 -0.15 1.45 0.00 0.00 0.00 0.00 175.76 177.66 2wgg s ALA 335 N -2.03 3.61 -0.13 0.00 0.00 -0.48 -4.32 121.76 118.41 2wgg s ALA 335 Ca 0.65 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 53.63 2wgg s ALA 335 Cb -0.14 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 2wgg s ALA 335 CO 0.18 -0.84 -0.01 0.08 0.00 0.00 0.00 175.76 175.17 2wgg s VAL 336 N 1.93 4.18 -0.04 0.00 1.01 0.20 -1.26 120.40 126.42 2wgg s VAL 336 Ca 0.66 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.43 2wgg s VAL 336 Cb -0.36 -2.81 -0.01 0.00 0.00 0.00 0.00 36.38 33.21 2wgg s VAL 336 CO 0.29 0.53 -0.22 -0.47 0.00 0.00 0.00 175.10 175.23 2wgg s TYR 337 N -0.16 2.16 -0.48 5.22 5.04 -0.72 -0.78 117.35 127.63 2wgg s TYR 337 Ca 0.04 -0.58 0.04 0.00 -2.44 0.00 0.00 57.07 54.13 2wgg s TYR 337 Cb -0.13 -1.42 0.13 0.00 0.35 0.00 0.00 41.96 40.89 2wgg s TYR 337 CO 0.02 -0.16 0.22 0.00 -1.34 0.00 0.00 175.55 174.30 2wgg s ALA 338 N -0.20 3.14 0.48 3.97 0.00 -1.26 -1.42 121.76 126.46 2wgg s ALA 338 Ca -0.01 -3.10 0.40 0.00 0.00 0.00 0.00 51.96 49.26 2wgg s ALA 338 Cb -0.12 -2.10 2.16 0.00 0.00 0.00 0.00 23.12 23.06 2wgg s ALA 338 CO 0.02 -1.97 2.23 -1.00 0.00 0.00 0.00 175.76 175.04 2wgg h PRO 339 N 6.70 0.00 0.00 0.00 0.13 -1.88 -2.54 132.00 134.40 2wgg h PRO 339 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 2wgg h PRO 339 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 2wgg h PRO 339 CO 0.65 0.00 -0.10 0.87 -0.23 0.00 0.00 178.00 179.19 2wgg h LYS 340 N 0.00 0.00 -1.01 0.86 1.57 -1.81 -1.24 116.57 114.95 2wgg h LYS 340 Ca 0.00 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 59.03 2wgg h LYS 340 Cb 0.03 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.26 2wgg h LYS 340 CO 0.00 0.10 0.66 0.66 -0.57 0.00 0.00 179.45 180.30 2wgg h SER 341 N 0.00 0.39 0.00 0.86 4.64 -1.67 -1.57 113.55 116.20 2wgg h SER 341 Ca -0.00 0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.27 2wgg h SER 341 Cb 0.33 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2wgg h SER 341 CO 0.01 0.10 -1.44 0.00 -0.87 0.00 0.00 176.83 174.63 2wgg n ALA 342 N -2.52 1.87 0.49 5.18 0.00 -0.80 -4.65 120.51 120.09 2wgg n ALA 342 Ca 0.23 -0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.31 2wgg n ALA 342 Cb 0.86 0.08 -0.04 0.00 0.00 0.00 0.00 19.45 20.35 2wgg n ALA 342 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wgg n LEU 343 N -2.20 0.74 0.00 0.00 4.77 -0.53 -0.91 117.00 118.86 2wgg n LEU 343 Ca -0.10 -0.58 0.01 0.00 -0.03 0.00 0.00 56.01 55.31 2wgg n LEU 343 Cb 0.67 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2wgg n LEU 343 CO 0.14 0.16 -0.02 0.61 -1.33 0.00 0.00 177.39 176.96 2wgg n GLY 344 N 1.15 -1.45 3.37 -0.72 0.00 -0.59 -4.09 105.19 102.86 2wgg n GLY 344 Ca 0.03 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 2wgg n GLY 344 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wgg s HIS 345 N -0.20 3.03 -0.22 1.61 2.46 0.10 -4.49 115.29 117.58 2wgg s HIS 345 Ca 0.00 -0.74 0.15 0.00 0.47 0.00 0.00 55.06 54.94 2wgg s HIS 345 Cb 0.00 -2.17 0.64 0.00 -0.13 0.00 0.00 32.58 30.91 2wgg s HIS 345 CO 0.00 -0.48 1.56 -1.13 -2.47 0.00 0.00 174.74 172.23 2wgg n SER 346 N 4.85 4.42 0.00 9.88 3.41 -1.19 -1.76 113.62 133.23 2wgg n SER 346 Ca -0.17 -3.08 0.00 0.00 -0.26 0.00 0.00 58.87 55.37 2wgg n SER 346 Cb 0.51 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2wgg n SER 346 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2wgg n ILE 347 N -0.21 0.00 0.28 -1.33 2.08 -1.26 -1.75 119.36 117.17 2wgg n ILE 347 Ca 0.26 0.00 0.17 0.00 0.56 0.00 0.00 62.75 63.74 2wgg n ILE 347 Cb 1.05 0.00 0.80 0.00 -0.75 0.00 0.00 39.64 40.74 2wgg n ILE 347 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2wgg h GLY 348 N 0.00 0.00 0.99 7.39 0.00 -1.82 -2.65 103.07 106.97 2wgg h GLY 348 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wgg h GLY 348 CO 0.00 0.00 -0.99 0.00 0.00 0.00 0.00 176.54 175.55 2wgg n ALA 349 N -2.14 2.57 -0.13 3.60 0.00 -0.72 -2.04 120.51 121.65 2wgg n ALA 349 Ca -0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.07 2wgg n ALA 349 Cb 0.25 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 18.58 2wgg n ALA 349 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2wgg h VAL 350 N 0.00 1.28 -0.75 0.00 3.04 -1.57 -1.57 116.25 116.67 2wgg h VAL 350 Ca 0.00 -1.37 0.15 0.00 -1.01 0.00 0.00 66.70 64.47 2wgg h VAL 350 Cb 0.98 1.31 -0.05 0.00 -2.01 0.00 0.00 31.29 31.52 2wgg h VAL 350 CO 0.00 0.46 0.50 1.23 -1.01 0.00 0.00 177.57 178.75 2wgg h GLY 351 N 0.65 0.69 0.68 3.17 0.00 -1.77 -0.43 103.07 106.07 2wgg h GLY 351 Ca 0.08 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 2wgg h GLY 351 CO 0.06 0.06 -0.39 0.00 0.00 0.00 0.00 176.54 176.28 2wgg h ALA 352 N 1.65 0.10 -0.31 3.60 0.00 -1.41 -0.76 119.26 122.13 2wgg h ALA 352 Ca 0.37 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.85 2wgg h ALA 352 Cb 0.85 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2wgg h ALA 352 CO -0.12 0.22 0.03 1.25 0.00 0.00 0.00 179.25 180.63 2wgg h LEU 353 N -0.19 -0.07 -1.21 0.00 5.85 -1.10 -1.91 115.31 116.69 2wgg h LEU 353 Ca -0.04 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 2wgg h LEU 353 Cb 1.07 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 2wgg h LEU 353 CO 0.08 0.00 -0.37 -0.33 -0.34 0.00 0.00 178.44 177.48 2wgg h GLU 354 N 0.12 0.00 -0.54 1.25 5.08 -1.09 -0.79 114.58 118.62 2wgg h GLU 354 Ca 0.15 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2wgg h GLU 354 Cb 0.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2wgg h GLU 354 CO -0.22 0.37 0.13 0.77 -1.00 0.00 0.00 179.01 179.05 2wgg h SER 355 N 0.00 0.82 -0.27 1.42 0.02 -0.90 -1.39 113.55 113.25 2wgg h SER 355 Ca -0.00 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 60.63 2wgg h SER 355 Cb 0.73 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2wgg h SER 355 CO 0.05 0.85 -0.11 0.58 -1.14 0.00 0.00 176.83 177.06 2wgg h VAL 356 N 0.76 1.25 -0.21 2.27 2.07 -0.46 -1.52 116.25 120.40 2wgg h VAL 356 Ca 0.17 -1.11 -0.13 0.00 0.82 0.00 0.00 66.70 66.44 2wgg h VAL 356 Cb 0.35 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2wgg h VAL 356 CO 0.00 0.38 -0.43 -0.07 0.02 0.00 0.00 177.57 177.47 2wgg h LEU 357 N 0.62 0.55 -0.52 2.57 3.38 -1.07 -1.97 115.31 118.86 2wgg h LEU 357 Ca 0.11 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2wgg h LEU 357 Cb 0.55 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2wgg h LEU 357 CO 0.03 0.91 0.15 0.74 0.09 0.00 0.00 178.44 180.36 2wgg h THR 358 N 0.42 1.23 -0.02 0.22 2.02 -0.78 -0.56 112.91 115.45 2wgg h THR 358 Ca 0.03 -0.80 0.03 0.00 0.77 0.00 0.00 66.41 66.44 2wgg h THR 358 Cb 0.92 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 2wgg h THR 358 CO 0.08 0.29 -0.17 0.58 0.37 0.00 0.00 175.52 176.68 2wgg h VAL 359 N 0.72 0.59 -0.89 3.16 2.07 -1.11 -1.95 116.25 118.83 2wgg h VAL 359 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2wgg h VAL 359 Cb 0.29 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 2wgg h VAL 359 CO -0.00 0.00 0.57 -0.07 0.02 0.00 0.00 177.57 178.09 2wgg h LEU 360 N -0.27 1.04 -0.29 2.57 3.38 -1.17 0.16 115.31 120.73 2wgg h LEU 360 Ca 0.06 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2wgg h LEU 360 Cb 0.34 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2wgg h LEU 360 CO -0.17 0.77 0.10 0.74 0.09 0.00 0.00 178.44 179.97 2wgg h THR 361 N 1.22 0.92 -0.43 0.22 2.02 -0.96 -0.88 112.91 115.02 2wgg h THR 361 Ca 0.32 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 67.31 2wgg h THR 361 Cb -0.11 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2wgg h THR 361 CO -0.07 0.04 -0.17 -0.07 0.37 0.00 0.00 175.52 175.63 2wgg h LEU 362 N 0.23 0.90 0.14 2.58 3.38 -0.60 -0.52 115.31 121.42 2wgg h LEU 362 Ca 0.13 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2wgg h LEU 362 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2wgg h LEU 362 CO -0.14 1.08 -0.19 -0.09 0.09 0.00 0.00 178.44 179.20 2wgg h ARG 363 N 0.70 -0.36 -0.01 1.13 2.43 -0.90 -3.30 114.38 114.08 2wgg h ARG 363 Ca 0.10 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2wgg h ARG 363 Cb 0.72 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2wgg h ARG 363 CO 0.05 -0.24 -0.39 -0.25 -1.51 0.00 0.00 179.97 177.64 2wgg n ASP 364 N -5.31 0.96 -2.26 -3.80 8.00 -0.34 -4.97 116.55 108.82 2wgg n ASP 364 Ca -0.07 -0.77 -0.16 0.00 0.71 0.00 0.00 54.79 54.50 2wgg n ASP 364 Cb 0.23 0.24 0.03 0.00 -0.02 0.00 0.00 41.12 41.59 2wgg n ASP 364 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wgg n GLY 365 N 1.40 -0.21 3.42 0.44 0.00 -0.21 -4.97 105.19 105.06 2wgg n GLY 365 Ca 0.10 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2wgg n GLY 365 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wgg s VAL 366 N -3.00 0.01 -0.16 1.61 0.11 -1.16 -0.84 120.40 116.97 2wgg s VAL 366 Ca 0.21 -0.04 -0.02 0.00 -2.93 0.00 0.00 61.98 59.20 2wgg s VAL 366 Cb -0.09 -0.75 -0.02 0.00 -1.53 0.00 0.00 36.38 33.99 2wgg s VAL 366 CO 0.26 -0.02 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.30 2wgg s ILE 367 N -0.00 3.38 0.94 7.04 1.01 -0.67 -4.39 121.20 128.50 2wgg s ILE 367 Ca -0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 2wgg s ILE 367 Cb -0.03 -2.47 0.16 0.00 0.01 0.00 0.00 42.46 40.13 2wgg s ILE 367 CO 0.02 0.49 1.10 -2.84 0.00 0.00 0.00 174.94 173.71 2wgg s PRO 368 N 0.60 0.85 0.31 2.79 0.02 -1.26 -1.03 135.00 137.28 2wgg s PRO 368 Ca -0.05 1.18 -0.28 0.00 0.02 0.00 0.00 61.00 61.86 2wgg s PRO 368 Cb -0.15 -1.73 -0.09 0.00 0.02 0.00 0.00 34.50 32.54 2wgg s PRO 368 CO 0.03 -2.63 1.08 -1.25 -0.33 0.00 0.00 177.00 173.90 2wgg s PRO 369 N -4.71 4.52 -0.48 5.54 0.04 -1.26 -4.73 135.00 133.91 2wgg s PRO 369 Ca 0.65 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 63.13 2wgg s PRO 369 Cb -0.21 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2wgg s PRO 369 CO 0.59 0.13 1.43 0.99 0.04 0.00 0.00 177.00 180.18 2wgg s THR 370 N -1.29 3.83 0.64 1.26 2.01 0.13 -4.92 115.64 117.30 2wgg s THR 370 Ca 0.48 0.79 -0.18 0.00 0.31 0.00 0.00 61.69 63.09 2wgg s THR 370 Cb -0.29 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 67.92 2wgg s THR 370 CO 0.37 -0.93 1.26 -0.76 -0.69 0.00 0.00 174.62 173.88 2wgg s LEU 371 N 5.83 3.59 0.00 4.42 1.43 -1.26 -3.44 118.68 129.24 2wgg s LEU 371 Ca 0.58 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 56.22 2wgg s LEU 371 Cb -0.12 -4.61 0.00 0.00 0.03 0.00 0.00 46.19 41.48 2wgg s LEU 371 CO 0.29 -1.90 0.00 0.59 0.23 0.00 0.00 176.35 175.56 2wgg n ASN 372 N -1.86 -1.75 -4.54 2.29 3.02 -1.26 -4.70 115.26 106.46 2wgg n ASN 372 Ca 0.15 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.29 2wgg n ASN 372 Cb 0.49 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.16 2wgg n ASN 372 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2wgg s TYR 373 N -2.17 2.44 0.00 3.10 5.04 -1.22 -4.64 117.35 119.89 2wgg s TYR 373 Ca 0.00 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.24 2wgg s TYR 373 Cb 0.00 -4.59 0.00 0.00 0.35 0.00 0.00 41.96 37.72 2wgg s TYR 373 CO 0.00 -1.96 0.00 0.39 -1.34 0.00 0.00 175.55 172.64 2wgg n GLU 374 N 8.90 1.11 -3.86 4.97 1.02 -1.26 -4.86 120.64 126.66 2wgg n GLU 374 Ca 0.11 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.96 2wgg n GLU 374 Cb 0.49 -0.94 -0.16 0.00 -0.02 0.00 0.00 31.44 30.81 2wgg n GLU 374 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2wgg s THR 375 N -1.88 1.20 0.45 2.62 2.01 -1.26 -5.07 115.64 113.71 2wgg s THR 375 Ca 0.00 -1.09 -0.25 0.00 0.31 0.00 0.00 61.69 60.66 2wgg s THR 375 Cb 0.00 -1.60 -0.08 0.00 0.01 0.00 0.00 72.50 70.83 2wgg s THR 375 CO 0.00 -0.21 1.39 -2.84 -0.69 0.00 0.00 174.62 172.27 2wgg s PRO 376 N 1.53 3.70 -0.17 4.92 0.02 -1.26 0.13 135.00 143.87 2wgg s PRO 376 Ca -0.02 2.33 -0.28 0.00 0.02 0.00 0.00 61.00 63.05 2wgg s PRO 376 Cb -0.18 -2.64 -0.01 0.00 0.02 0.00 0.00 34.50 31.69 2wgg s PRO 376 CO -0.09 -0.77 0.95 0.34 -0.33 0.00 0.00 177.00 177.10 2wgg s ASP 377 N -0.62 7.08 0.49 2.53 -1.08 -1.23 -4.59 116.67 119.25 2wgg s ASP 377 Ca 0.61 1.33 0.22 0.00 -0.52 0.00 0.00 52.55 54.20 2wgg s ASP 377 Cb -0.42 -2.51 1.26 0.00 -1.46 0.00 0.00 42.92 39.80 2wgg s ASP 377 CO 0.53 -0.50 1.94 1.55 0.52 0.00 0.00 175.17 179.21 2wgg h PRO 378 N 7.32 0.17 0.00 4.34 0.13 -1.95 -0.65 132.00 141.37 2wgg h PRO 378 Ca -0.26 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.76 2wgg h PRO 378 Cb 1.11 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2wgg h PRO 378 CO 0.89 0.12 -0.45 0.93 -0.23 0.00 0.00 178.00 179.25 2wgg h GLU 379 N 0.18 0.00 -5.40 0.86 4.39 -2.00 -3.42 114.58 109.18 2wgg h GLU 379 Ca 0.34 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.43 2wgg h GLU 379 Cb 1.08 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.61 2wgg h GLU 379 CO -0.06 0.45 -0.03 0.42 -1.16 0.00 0.00 179.01 178.63 2wgg s ILE 380 N -3.01 5.09 -0.66 3.13 -1.09 -0.25 -5.00 121.20 119.41 2wgg s ILE 380 Ca 0.04 0.89 0.06 0.00 -2.23 0.00 0.00 60.65 59.40 2wgg s ILE 380 Cb 0.07 -3.82 0.22 0.00 -1.58 0.00 0.00 42.46 37.35 2wgg s ILE 380 CO 0.74 0.12 0.66 -0.67 -1.23 0.00 0.00 174.94 174.56 2wgg n ASP 381 N 5.28 3.47 -4.20 3.58 -0.08 -1.26 -4.56 116.55 118.77 2wgg n ASP 381 Ca -0.05 -3.36 -0.18 0.00 -1.51 0.00 0.00 54.79 49.70 2wgg n ASP 381 Cb 0.50 -0.70 -0.11 0.00 2.34 0.00 0.00 41.12 43.15 2wgg n ASP 381 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2wgg s LEU 382 N -2.14 2.35 -1.29 -2.67 1.43 -1.26 -5.01 118.68 110.09 2wgg s LEU 382 Ca 0.35 -0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 52.59 2wgg s LEU 382 Cb 0.09 -0.50 0.13 0.00 0.03 0.00 0.00 46.19 45.94 2wgg s LEU 382 CO -0.06 -0.13 1.77 -0.67 0.23 0.00 0.00 176.35 177.48 2wgg n ASP 383 N 0.84 4.90 -4.66 2.29 2.03 -1.26 -4.98 116.55 115.70 2wgg n ASP 383 Ca -0.18 -2.99 -0.43 0.00 0.52 0.00 0.00 54.79 51.72 2wgg n ASP 383 Cb 0.56 -1.59 -0.03 0.00 -0.72 0.00 0.00 41.12 39.34 2wgg n ASP 383 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2wgg s VAL 384 N 1.94 4.74 0.06 5.18 1.01 -1.26 -0.62 120.40 131.45 2wgg s VAL 384 Ca 0.45 1.92 -0.31 0.00 0.00 0.00 0.00 61.98 64.04 2wgg s VAL 384 Cb 0.05 -4.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 2wgg s VAL 384 CO 0.00 -0.12 1.37 -0.69 0.00 0.00 0.00 175.10 175.66 2wgg s VAL 385 N 2.91 3.56 0.12 2.92 1.01 0.04 -4.91 120.40 126.04 2wgg s VAL 385 Ca 0.42 1.06 -0.19 0.00 0.00 0.00 0.00 61.98 63.28 2wgg s VAL 385 Cb -0.16 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.59 2wgg s VAL 385 CO 0.08 0.05 0.46 0.00 0.00 0.00 0.00 175.10 175.69 2wgg s ALA 386 N 1.62 -1.15 0.00 5.51 0.00 -1.26 0.18 121.76 126.67 2wgg s ALA 386 Ca 0.64 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2wgg s ALA 386 Cb -0.34 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.46 2wgg s ALA 386 CO 0.29 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2wgg n GLY 387 N -0.13 2.00 3.13 0.00 0.00 -1.26 -4.84 105.19 104.09 2wgg n GLY 387 Ca -0.17 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.42 2wgg n GLY 387 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wgg s GLU 388 N 0.00 0.84 0.33 1.61 2.02 -1.26 -4.93 118.70 117.31 2wgg s GLU 388 Ca 0.00 -0.76 -0.27 0.00 0.02 0.00 0.00 54.97 53.96 2wgg s GLU 388 Cb 0.00 -0.82 -0.13 0.00 0.10 0.00 0.00 34.13 33.28 2wgg s GLU 388 CO 0.00 0.20 1.05 -2.30 0.02 0.00 0.00 175.26 174.23 2wgg n PRO 389 N 1.81 1.47 -3.81 0.39 -0.02 -1.26 -4.35 135.00 129.24 2wgg n PRO 389 Ca -0.19 0.52 -0.37 0.00 -2.02 0.00 0.00 63.50 61.44 2wgg n PRO 389 Cb 0.55 -1.96 -0.13 0.00 -0.02 0.00 0.00 33.50 31.94 2wgg n PRO 389 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2wgg s ARG 390 N -1.71 2.72 0.09 -0.52 3.52 -0.19 -4.93 118.95 117.93 2wgg s ARG 390 Ca 0.59 -1.10 -0.30 0.00 -0.13 0.00 0.00 55.73 54.79 2wgg s ARG 390 Cb -0.64 -3.33 -0.06 0.00 -1.56 0.00 0.00 34.95 29.36 2wgg s ARG 390 CO 0.60 -0.57 1.13 0.71 -0.81 0.00 0.00 175.30 176.35 2wgg s TYR 391 N 1.39 3.53 0.15 5.12 2.02 -1.26 -1.67 117.35 126.63 2wgg s TYR 391 Ca -0.01 1.47 -0.24 0.00 -0.37 0.00 0.00 57.07 57.91 2wgg s TYR 391 Cb -0.19 -3.32 0.06 0.00 -0.40 0.00 0.00 41.96 38.12 2wgg s TYR 391 CO 0.01 -0.84 0.81 0.20 -1.57 0.00 0.00 175.55 174.16 2wgg s GLY 392 N 0.64 -0.33 -1.29 0.71 0.00 -0.02 -4.98 107.32 102.05 2wgg s GLY 392 Ca 0.54 0.30 -0.10 0.00 0.00 0.00 0.00 44.72 45.46 2wgg s GLY 392 CO 0.31 0.09 1.88 1.34 0.00 0.00 0.00 173.10 176.72 2wgg n ASP 393 N -0.40 4.97 -4.60 1.64 2.03 -1.26 -4.49 116.55 114.45 2wgg n ASP 393 Ca -0.09 -3.07 -0.43 0.00 0.52 0.00 0.00 54.79 51.72 2wgg n ASP 393 Cb 0.61 -1.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.48 2wgg n ASP 393 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2wgg s TYR 394 N 0.80 2.98 -0.22 -0.67 2.02 -1.26 -4.88 117.35 116.11 2wgg s TYR 394 Ca 0.41 0.69 -0.05 0.00 -0.37 0.00 0.00 57.07 57.75 2wgg s TYR 394 Cb 0.09 -3.93 -0.19 0.00 -0.40 0.00 0.00 41.96 37.53 2wgg s TYR 394 CO -0.00 -1.00 -0.05 0.54 -1.57 0.00 0.00 175.55 173.46 2wgg n ARG 395 N 7.15 0.66 -4.16 -0.62 1.74 -1.26 -4.70 116.66 115.47 2wgg n ARG 395 Ca 0.08 0.23 -0.16 0.00 -0.77 0.00 0.00 57.85 57.24 2wgg n ARG 395 Cb 0.48 -1.58 -0.12 0.00 -1.02 0.00 0.00 32.46 30.21 2wgg n ARG 395 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2wgg s TYR 396 N -2.52 0.80 -0.10 -1.55 2.02 -1.26 -0.98 117.35 113.77 2wgg s TYR 396 Ca -0.32 -0.38 -0.10 0.00 -0.37 0.00 0.00 57.07 55.91 2wgg s TYR 396 Cb 0.09 -0.48 0.03 0.00 -0.40 0.00 0.00 41.96 41.20 2wgg s TYR 396 CO 0.63 -0.03 0.27 0.00 -1.57 0.00 0.00 175.55 174.85 2wgg s ALA 397 N -0.99 -0.67 -0.17 3.71 0.00 -0.67 -0.92 121.76 122.05 2wgg s ALA 397 Ca -0.04 0.72 -0.05 0.00 0.00 0.00 0.00 51.96 52.59 2wgg s ALA 397 Cb -0.08 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 2wgg s ALA 397 CO 0.01 -0.14 0.01 0.08 0.00 0.00 0.00 175.76 175.72 2wgg s VAL 398 N 0.02 4.31 -0.28 0.00 1.01 0.18 -0.89 120.40 124.75 2wgg s VAL 398 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 2wgg s VAL 398 Cb -0.02 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2wgg s VAL 398 CO 0.01 0.48 0.17 0.21 0.00 0.00 0.00 175.10 175.96 2wgg s ASN 399 N 0.34 5.81 -0.04 3.32 2.47 -0.30 0.25 114.94 126.80 2wgg s ASN 399 Ca -0.01 -0.11 -0.08 0.00 0.42 0.00 0.00 52.86 53.08 2wgg s ASN 399 Cb -0.13 -2.07 -0.05 0.00 -1.45 0.00 0.00 41.25 37.55 2wgg s ASN 399 CO 0.02 -0.07 0.24 0.20 -3.72 0.00 0.00 177.10 173.76 2wgg s ASN 400 N 1.72 6.50 -0.02 -4.21 0.01 -0.51 -1.32 114.94 117.11 2wgg s ASN 400 Ca 0.07 0.58 -0.04 0.00 -0.71 0.00 0.00 52.86 52.75 2wgg s ASN 400 Cb -0.16 -2.10 0.00 0.00 0.41 0.00 0.00 41.25 39.40 2wgg s ASN 400 CO 0.09 0.33 0.10 -0.44 -1.51 0.00 0.00 177.10 175.67 2wgg s SER 401 N -1.36 -0.02 0.08 -1.22 0.01 -0.58 -3.34 113.70 107.28 2wgg s SER 401 Ca 0.22 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.49 2wgg s SER 401 Cb -0.13 0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 2wgg s SER 401 CO 0.11 -0.18 -0.07 -0.36 0.41 0.00 0.00 173.24 173.15 2wgg s PHE 402 N -0.61 0.86 -0.04 2.43 0.08 -1.26 -1.46 117.98 117.98 2wgg s PHE 402 Ca -0.07 -0.77 -0.14 0.00 0.12 0.00 0.00 56.93 56.07 2wgg s PHE 402 Cb -0.04 -0.49 0.02 0.00 -0.57 0.00 0.00 43.02 41.94 2wgg s PHE 402 CO 0.00 -0.11 0.31 0.20 -0.10 0.00 0.00 175.22 175.52 2wgg s GLY 403 N -2.58 -0.17 0.24 4.36 0.00 -0.55 -2.99 107.32 105.63 2wgg s GLY 403 Ca 0.05 0.44 -0.28 0.00 0.00 0.00 0.00 44.72 44.94 2wgg s GLY 403 CO -0.03 0.25 0.67 0.69 0.00 0.00 0.00 173.10 174.68 2wgg n PHE 404 N 1.60 0.03 0.00 1.90 3.72 -1.26 -1.52 117.46 121.93 2wgg n PHE 404 Ca -0.20 0.87 0.00 0.00 -0.05 0.00 0.00 57.45 58.07 2wgg n PHE 404 Cb 0.56 -2.05 0.00 0.00 -0.94 0.00 0.00 39.48 37.05 2wgg n PHE 404 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wgg n GLY 405 N 1.75 3.04 0.32 1.37 0.00 0.32 -4.52 105.19 107.47 2wgg n GLY 405 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2wgg n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wgg n GLY 406 N -1.28 1.73 3.71 -0.02 0.00 -0.74 -4.80 105.19 103.79 2wgg n GLY 406 Ca 0.00 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 2wgg n GLY 406 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wgg s HIS 407 N -2.00 3.52 -0.14 1.61 3.76 -0.57 -1.13 115.29 120.34 2wgg s HIS 407 Ca 0.00 1.07 0.02 0.00 -0.15 0.00 0.00 55.06 56.00 2wgg s HIS 407 Cb 0.00 -2.71 0.01 0.00 1.11 0.00 0.00 32.58 30.99 2wgg s HIS 407 CO 0.00 0.08 -0.21 -0.80 -0.85 0.00 0.00 174.74 172.96 2wgg s ASN 408 N 0.79 3.23 -0.06 1.40 0.01 -0.64 -1.49 114.94 118.17 2wgg s ASN 408 Ca 0.32 -0.57 0.01 0.00 -0.71 0.00 0.00 52.86 51.91 2wgg s ASN 408 Cb -0.16 -1.47 0.02 0.00 0.41 0.00 0.00 41.25 40.05 2wgg s ASN 408 CO 0.14 0.09 -0.07 -0.69 -1.51 0.00 0.00 177.10 175.07 2wgg s VAL 409 N 0.74 0.76 -0.05 1.60 1.01 -0.54 -1.60 120.40 122.32 2wgg s VAL 409 Ca -0.09 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.71 2wgg s VAL 409 Cb -0.16 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 2wgg s VAL 409 CO 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 175.10 175.21 2wgg s ALA 410 N 1.08 1.59 -0.11 5.51 0.00 -0.26 -1.52 121.76 128.05 2wgg s ALA 410 Ca -0.08 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2wgg s ALA 410 Cb -0.14 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 2wgg s ALA 410 CO -0.01 0.27 -0.19 -0.51 0.00 0.00 0.00 175.76 175.32 2wgg s LEU 411 N 0.11 2.37 -0.28 0.00 1.43 -0.44 -0.50 118.68 121.38 2wgg s LEU 411 Ca -0.06 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.48 2wgg s LEU 411 Cb -0.13 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 2wgg s LEU 411 CO 0.03 0.17 0.18 0.00 0.23 0.00 0.00 176.35 176.95 2wgg s ALA 412 N 0.32 3.49 0.10 4.21 0.00 -0.16 -1.15 121.76 128.58 2wgg s ALA 412 Ca -0.15 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 50.79 2wgg s ALA 412 Cb -0.17 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 2wgg s ALA 412 CO 0.07 -0.53 -0.09 -0.06 0.00 0.00 0.00 175.76 175.16 2wgg s PHE 413 N 1.72 2.77 0.06 0.00 0.08 -0.07 -0.82 117.98 121.73 2wgg s PHE 413 Ca 0.07 -0.14 0.06 0.00 0.12 0.00 0.00 56.93 57.04 2wgg s PHE 413 Cb -0.16 -1.45 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 2wgg s PHE 413 CO 0.10 0.44 -0.16 0.20 -0.10 0.00 0.00 175.22 175.70 2wgg s GLY 414 N -2.24 0.91 0.21 4.36 0.00 0.14 -1.68 107.32 109.02 2wgg s GLY 414 Ca 0.22 -0.96 -0.30 0.00 0.00 0.00 0.00 44.72 43.68 2wgg s GLY 414 CO 0.14 -0.95 1.27 -1.60 0.00 0.00 0.00 173.10 171.96 2wgg s ARG 415 N -1.44 4.43 0.00 2.90 3.52 -0.16 0.12 118.95 128.32 2wgg s ARG 415 Ca 0.02 2.01 0.27 0.00 -0.13 0.00 0.00 55.73 57.90 2wgg s ARG 415 Cb -0.09 -3.19 0.93 0.00 -1.56 0.00 0.00 34.95 31.04 2wgg s ARG 415 CO 0.02 -0.18 1.68 0.98 -0.81 0.00 0.00 175.30 176.99