#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wac n ARG 2 N 0.00 -4.31 -1.67 -0.52 0.63 -1.26 -4.82 116.66 104.71 1wac n ARG 2 Ca 0.00 3.16 -0.40 0.00 -0.92 0.00 0.00 57.85 59.69 1wac n ARG 2 Cb 0.00 -4.14 0.03 0.00 0.45 0.00 0.00 32.46 28.80 1wac n ARG 2 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 1wac n ARG 3 N 1.88 1.49 -2.37 -0.14 1.85 -1.26 -4.93 116.66 113.17 1wac n ARG 3 Ca -0.09 0.54 -0.33 0.00 -1.00 0.00 0.00 57.85 56.97 1wac n ARG 3 Cb 0.14 -2.30 -0.02 0.00 -1.05 0.00 0.00 32.46 29.22 1wac n ARG 3 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1wac s ALA 4 N -1.32 2.92 0.48 2.89 0.00 0.18 -5.01 121.76 121.90 1wac s ALA 4 Ca 0.68 0.37 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 1wac s ALA 4 Cb -0.47 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.39 1wac s ALA 4 CO 0.53 -0.38 1.13 -2.14 0.00 0.00 0.00 175.76 174.89 1wac s PRO 5 N -3.77 3.69 -0.03 0.00 0.02 -1.26 -4.82 135.00 128.82 1wac s PRO 5 Ca 0.63 1.65 -0.03 0.00 0.02 0.00 0.00 61.00 63.27 1wac s PRO 5 Cb -0.13 -2.26 0.01 0.00 0.02 0.00 0.00 34.50 32.13 1wac s PRO 5 CO 0.28 -0.58 0.08 0.00 -0.33 0.00 0.00 177.00 176.45 1wac s ALA 6 N -1.68 -0.19 0.01 -1.55 0.00 -1.26 0.68 121.76 117.78 1wac s ALA 6 Ca 0.66 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.88 1wac s ALA 6 Cb -0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.72 1wac s ALA 6 CO 0.30 -0.04 -0.06 -0.06 0.00 0.00 0.00 175.76 175.89 1wac s PHE 7 N 0.09 0.56 0.63 0.00 0.40 0.62 -4.94 117.98 115.34 1wac s PHE 7 Ca -0.00 -0.21 -0.14 0.00 -0.60 0.00 0.00 56.93 55.98 1wac s PHE 7 Cb -0.01 -0.35 -0.02 0.00 0.51 0.00 0.00 43.02 43.15 1wac s PHE 7 CO -0.00 -0.03 1.05 -1.25 0.70 0.00 0.00 175.22 175.70 1wac s PRO 8 N -0.56 3.19 0.47 0.24 0.04 -1.26 0.22 135.00 137.34 1wac s PRO 8 Ca -0.01 1.09 0.20 0.00 0.04 0.00 0.00 61.00 62.32 1wac s PRO 8 Cb -0.04 -2.02 1.20 0.00 0.04 0.00 0.00 34.50 33.67 1wac s PRO 8 CO -0.00 -0.90 1.95 1.25 0.04 0.00 0.00 177.00 179.33 1wac h LEU 9 N -0.02 0.23 -1.94 -3.56 5.85 -1.77 0.51 115.31 114.61 1wac h LEU 9 Ca -0.46 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 1wac h LEU 9 Cb 1.21 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1wac h LEU 9 CO 0.57 0.12 -0.03 0.77 -0.34 0.00 0.00 178.44 179.53 1wac h SER 10 N 0.24 0.00 -3.94 1.25 4.64 -1.91 -3.17 113.55 110.67 1wac h SER 10 Ca 0.33 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.13 1wac h SER 10 Cb 0.95 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.11 1wac h SER 10 CO -0.07 0.03 0.58 -0.62 -0.87 0.00 0.00 176.83 175.88 1wac s ASP 11 N -7.05 6.43 0.44 4.97 -1.08 0.17 -4.80 116.67 115.74 1wac s ASP 11 Ca -0.05 2.55 0.19 0.00 -0.52 0.00 0.00 52.55 54.72 1wac s ASP 11 Cb 0.17 -2.63 1.12 0.00 -1.46 0.00 0.00 42.92 40.12 1wac s ASP 11 CO 0.67 -0.76 1.88 -0.29 0.52 0.00 0.00 175.17 177.20 1wac h ILE 12 N 2.48 0.70 -0.36 4.11 6.09 -1.87 0.10 117.51 128.76 1wac h ILE 12 Ca -0.49 -0.12 -0.00 0.00 -1.37 0.00 0.00 64.86 62.87 1wac h ILE 12 Cb 1.24 0.32 -0.02 0.00 0.47 0.00 0.00 36.82 38.83 1wac h ILE 12 CO 0.63 0.07 0.22 0.11 -3.07 0.00 0.00 178.15 176.10 1wac h LYS 13 N 0.36 0.49 0.00 2.19 1.57 -1.90 0.41 116.57 119.68 1wac h LYS 13 Ca 0.43 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1wac h LYS 13 Cb 1.11 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1wac h LYS 13 CO -0.14 0.34 -0.03 0.00 -0.57 0.00 0.00 179.45 179.06 1wac h ALA 14 N 1.75 0.00 -1.22 3.86 0.00 -1.27 -3.32 119.26 119.06 1wac h ALA 14 Ca 0.13 -0.20 0.38 0.00 0.00 0.00 0.00 54.91 55.22 1wac h ALA 14 Cb -0.02 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 1wac h ALA 14 CO -0.03 0.02 0.78 0.37 0.00 0.00 0.00 179.25 180.39 1wac h GLN 15 N -1.00 0.18 0.00 0.00 5.75 -0.78 1.02 115.11 120.27 1wac h GLN 15 Ca -0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1wac h GLN 15 Cb 0.37 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.88 1wac h GLN 15 CO -0.00 0.12 0.00 -1.33 -2.65 0.00 0.00 178.83 174.96 1wac n MET 16 N -4.70 0.56 0.00 1.69 2.81 0.14 -2.88 117.12 114.74 1wac n MET 16 Ca 0.33 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 56.33 1wac n MET 16 Cb 1.25 -1.46 0.02 0.00 -0.71 0.00 0.00 33.22 32.32 1wac n MET 16 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1wac n LEU 17 N -0.96 0.87 -4.09 4.03 4.77 0.35 -4.86 117.00 117.13 1wac n LEU 17 Ca 0.12 -0.34 -0.29 0.00 -0.03 0.00 0.00 56.01 55.48 1wac n LEU 17 Cb 0.06 -0.09 -0.17 0.00 -2.33 0.00 0.00 43.42 40.89 1wac n LEU 17 CO 0.09 0.21 -0.51 -0.36 -1.33 0.00 0.00 177.39 175.50 1wac s PHE 18 N -2.97 2.08 0.79 -1.77 0.40 -1.14 -4.17 117.98 111.21 1wac s PHE 18 Ca 0.10 -0.96 -0.14 0.00 -0.60 0.00 0.00 56.93 55.33 1wac s PHE 18 Cb 0.17 -1.47 0.06 0.00 0.51 0.00 0.00 43.02 42.29 1wac s PHE 18 CO 0.79 -0.47 1.12 0.00 0.70 0.00 0.00 175.22 177.37 1wac n ALA 19 N 4.07 -0.14 -1.20 5.36 0.00 -0.13 -4.84 120.51 123.64 1wac n ALA 19 Ca -0.20 -0.30 -0.28 0.00 0.00 0.00 0.00 53.44 52.66 1wac n ALA 19 Cb 0.51 -2.20 -0.09 0.00 0.00 0.00 0.00 19.45 17.67 1wac n ALA 19 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1wac n ASN 20 N -2.83 7.36 0.00 0.00 5.15 -1.26 -4.49 115.26 119.19 1wac n ASN 20 Ca 0.13 -2.54 0.00 0.00 -0.60 0.00 0.00 54.58 51.57 1wac n ASN 20 Cb 0.50 -1.50 0.00 0.00 -0.53 0.00 0.00 39.78 38.25 1wac n ASN 20 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1wac n ASN 21 N 3.11 0.04 0.00 1.20 0.23 -1.26 -5.11 115.26 113.48 1wac n ASN 21 Ca 0.64 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.67 1wac n ASN 21 Cb 0.51 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.20 1wac n ASN 21 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1wac n ILE 22 N 0.00 0.66 0.00 1.53 2.08 -1.26 -2.92 119.36 119.44 1wac n ILE 22 Ca 0.00 0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.44 1wac n ILE 22 Cb 0.00 -1.61 0.00 0.00 -0.75 0.00 0.00 39.64 37.28 1wac n ILE 22 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1wac n LYS 23 N -3.36 0.00 0.00 0.38 4.76 -1.26 -2.59 118.16 116.09 1wac n LYS 23 Ca -0.05 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 1wac n LYS 23 Cb 0.34 -0.91 0.00 0.00 -1.84 0.00 0.00 35.03 32.62 1wac n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1wac n ALA 24 N -1.18 0.00 0.17 7.82 0.00 -1.26 0.26 120.51 126.32 1wac n ALA 24 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1wac n ALA 24 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1wac n ALA 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wac n GLN 25 N -0.68 0.57 0.11 0.00 1.13 -1.09 -3.55 117.38 113.87 1wac n GLN 25 Ca 0.00 -0.16 0.01 0.00 -1.94 0.00 0.00 57.00 54.92 1wac n GLN 25 Cb 0.00 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 28.85 1wac n GLN 25 CO 0.00 0.00 0.00 1.96 -1.44 0.00 0.00 177.06 177.58 1wac h GLN 26 N 0.00 0.00 -0.38 -1.09 4.20 0.39 -3.18 115.11 115.05 1wac h GLN 26 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1wac h GLN 26 Cb 0.87 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 1wac h GLN 26 CO 0.00 0.48 -0.11 0.00 -0.67 0.00 0.00 178.83 178.54 1wac h ALA 27 N 1.45 0.53 -0.93 3.87 0.00 -1.36 0.76 119.26 123.58 1wac h ALA 27 Ca -0.04 -0.32 0.15 0.00 0.00 0.00 0.00 54.91 54.70 1wac h ALA 27 Cb 1.46 -0.13 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 1wac h ALA 27 CO 0.06 0.40 0.53 0.66 0.00 0.00 0.00 179.25 180.91 1wac h SER 28 N 0.55 0.70 0.00 0.00 4.64 -1.60 -3.30 113.55 114.54 1wac h SER 28 Ca 0.09 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1wac h SER 28 Cb 0.63 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1wac h SER 28 CO 0.04 0.30 -1.09 0.29 -0.87 0.00 0.00 176.83 175.51 1wac n LYS 29 N -4.78 0.82 -0.26 4.77 5.02 -1.19 -4.82 118.16 117.73 1wac n LYS 29 Ca 0.19 -0.04 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 1wac n LYS 29 Cb 0.45 -1.06 -0.00 0.00 -0.02 0.00 0.00 35.03 34.39 1wac n LYS 29 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1wac n ARG 30 N -1.59 0.00 -4.70 1.97 3.00 0.26 -4.88 116.66 110.72 1wac n ARG 30 Ca -0.01 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.54 1wac n ARG 30 Cb 0.12 -0.19 -0.09 0.00 0.00 0.00 0.00 32.46 32.30 1wac n ARG 30 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1wac s SER 31 N -0.19 3.91 0.14 6.15 1.04 -1.26 -4.73 113.70 118.76 1wac s SER 31 Ca 0.12 -1.58 -0.35 0.00 0.48 0.00 0.00 55.95 54.62 1wac s SER 31 Cb -0.15 0.27 -0.15 0.00 0.10 0.00 0.00 66.02 66.10 1wac s SER 31 CO 0.11 -0.75 1.51 0.33 0.98 0.00 0.00 173.24 175.42 1wac n PHE 32 N -1.14 2.08 -3.80 5.02 7.35 -1.26 -4.93 117.46 120.78 1wac n PHE 32 Ca -0.14 0.36 -0.13 0.00 -0.76 0.00 0.00 57.45 56.79 1wac n PHE 32 Cb 0.67 -2.49 -0.13 0.00 0.35 0.00 0.00 39.48 37.88 1wac n PHE 32 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1wac s LYS 33 N 0.77 0.15 0.12 -4.13 3.01 -1.26 -4.95 119.74 113.45 1wac s LYS 33 Ca 0.80 0.25 -0.04 0.00 -1.01 0.00 0.00 55.97 55.97 1wac s LYS 33 Cb -0.75 0.01 -0.03 0.00 -1.01 0.00 0.00 37.83 36.05 1wac s LYS 33 CO 0.40 -0.06 0.12 -1.83 0.51 0.00 0.00 175.35 174.49 1wac s GLU 34 N 0.40 0.91 0.00 1.68 -1.05 -1.26 -5.00 118.70 114.37 1wac s GLU 34 Ca -0.03 -1.25 0.00 0.00 -0.15 0.00 0.00 54.97 53.54 1wac s GLU 34 Cb -0.04 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1wac s GLU 34 CO -0.02 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.33 1wac n GLY 35 N -0.08 3.39 3.60 -3.83 0.00 -0.19 -5.01 105.19 103.08 1wac n GLY 35 Ca -0.09 -0.14 -0.52 0.00 0.00 0.00 0.00 46.02 45.27 1wac n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wac n ALA 36 N -0.72 -0.77 -1.99 4.61 0.00 -1.26 -4.36 120.51 116.02 1wac n ALA 36 Ca 0.00 0.50 -0.28 0.00 0.00 0.00 0.00 53.44 53.66 1wac n ALA 36 Cb 0.00 -2.11 0.04 0.00 0.00 0.00 0.00 19.45 17.38 1wac n ALA 36 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1wac s ILE 37 N 0.77 3.52 -0.95 0.00 -4.36 -1.06 -4.77 121.20 114.36 1wac s ILE 37 Ca 0.85 0.21 -0.15 0.00 -0.26 0.00 0.00 60.65 61.30 1wac s ILE 37 Cb -0.95 -3.44 0.18 0.00 1.25 0.00 0.00 42.46 39.50 1wac s ILE 37 CO 0.48 -0.52 1.03 -0.70 0.24 0.00 0.00 174.94 175.47 1wac s GLU 38 N -5.17 3.73 0.22 0.37 2.12 -1.26 -0.52 118.70 118.18 1wac s GLU 38 Ca 0.56 -2.28 -0.13 0.00 0.36 0.00 0.00 54.97 53.48 1wac s GLU 38 Cb -0.11 -4.72 0.26 0.00 0.26 0.00 0.00 34.13 29.82 1wac s GLU 38 CO 0.48 -1.54 1.61 1.15 -0.54 0.00 0.00 175.26 176.43 1wac h THR 39 N 5.07 0.30 -4.33 -1.70 2.02 -1.33 -1.70 112.91 111.25 1wac h THR 39 Ca 0.16 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.18 1wac h THR 39 Cb 1.00 0.30 -0.15 0.00 -1.74 0.00 0.00 68.15 67.56 1wac h THR 39 CO 0.98 0.00 -0.62 -0.31 0.37 0.00 0.00 175.52 175.94 1wac s TYR 40 N -6.22 0.74 -0.08 3.16 2.02 -1.23 -4.36 117.35 111.38 1wac s TYR 40 Ca -0.14 -1.15 -0.40 0.00 -0.37 0.00 0.00 57.07 55.00 1wac s TYR 40 Cb 0.20 -0.42 -0.19 0.00 -0.40 0.00 0.00 41.96 41.15 1wac s TYR 40 CO 0.74 -0.51 1.26 0.39 -1.57 0.00 0.00 175.55 175.86 1wac n GLU 41 N -0.06 0.32 -3.84 -0.62 1.02 -1.26 -0.44 120.64 115.75 1wac n GLU 41 Ca -0.07 0.12 -0.29 0.00 -0.02 0.00 0.00 57.16 56.90 1wac n GLU 41 Cb 0.63 -1.66 0.04 0.00 -0.02 0.00 0.00 31.44 30.43 1wac n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wac n GLY 42 N 2.30 -0.50 2.84 0.62 0.00 -1.26 -4.97 105.19 104.22 1wac n GLY 42 Ca 0.22 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 46.28 1wac n GLY 42 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wac s LEU 43 N -7.27 -0.18 -0.04 0.99 0.20 0.41 -5.10 118.68 107.70 1wac s LEU 43 Ca 0.62 0.11 -0.18 0.00 0.69 0.00 0.00 54.13 55.37 1wac s LEU 43 Cb -0.30 0.49 -0.05 0.00 -0.43 0.00 0.00 46.19 45.90 1wac s LEU 43 CO 0.81 -0.29 0.51 -0.76 -0.29 0.00 0.00 176.35 176.33 1wac s LEU 44 N 2.36 4.39 0.63 -0.68 1.02 -1.26 -0.86 118.68 124.28 1wac s LEU 44 Ca 0.05 1.00 0.26 0.00 0.02 0.00 0.00 54.13 55.46 1wac s LEU 44 Cb -0.14 -2.76 1.31 0.00 0.02 0.00 0.00 46.19 44.62 1wac s LEU 44 CO -0.10 0.13 1.74 0.77 0.02 0.00 0.00 176.35 178.91 1wac h SER 45 N 5.73 0.00 -0.39 2.29 4.64 -1.10 0.40 113.55 125.12 1wac h SER 45 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1wac h SER 45 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1wac h SER 45 CO 0.69 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.98 1wac n VAL 46 N -3.25 0.93 -1.68 0.95 0.24 -1.26 -4.65 118.33 109.61 1wac n VAL 46 Ca 0.06 -0.96 -0.45 0.00 -2.04 0.00 0.00 64.34 60.94 1wac n VAL 46 Cb 0.71 0.56 -0.04 0.00 -1.47 0.00 0.00 33.84 33.60 1wac n VAL 46 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1wac n ASP 47 N 0.73 3.74 -0.35 -1.34 4.64 0.14 -4.70 116.55 119.41 1wac n ASP 47 Ca 0.14 0.97 -0.03 0.00 -1.38 0.00 0.00 54.79 54.48 1wac n ASP 47 Cb 0.45 -1.46 0.00 0.00 -1.04 0.00 0.00 41.12 39.07 1wac n ASP 47 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1wac n PRO 48 N 6.27 -0.26 -0.20 -0.67 -0.02 -1.26 0.83 135.00 139.68 1wac n PRO 48 Ca 0.20 1.37 0.01 0.00 -2.02 0.00 0.00 63.50 63.06 1wac n PRO 48 Cb 0.34 -2.03 0.12 0.00 -0.02 0.00 0.00 33.50 31.91 1wac n PRO 48 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wac h ARG 49 N 0.00 0.31 0.17 -0.52 3.08 -1.88 1.49 114.38 117.03 1wac h ARG 49 Ca 0.26 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 1wac h ARG 49 Cb 0.49 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1wac h ARG 49 CO -0.87 0.21 -0.08 0.35 -1.07 0.00 0.00 179.97 178.50 1wac h PHE 50 N 0.32 -0.21 -0.73 3.04 3.57 0.09 0.10 116.94 123.12 1wac h PHE 50 Ca 0.32 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.88 1wac h PHE 50 Cb 0.46 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 1wac h PHE 50 CO -0.21 -0.02 0.42 -0.07 -2.23 0.00 0.00 178.31 176.19 1wac h LEU 51 N -0.36 0.62 -0.81 0.59 3.38 0.47 0.18 115.31 119.39 1wac h LEU 51 Ca -0.02 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1wac h LEU 51 Cb 0.28 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1wac h LEU 51 CO 0.04 0.40 0.49 -1.28 0.09 0.00 0.00 178.44 178.18 1wac h SER 52 N 0.76 0.77 0.34 -0.43 0.87 0.25 0.18 113.55 116.28 1wac h SER 52 Ca 0.33 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1wac h SER 52 Cb 0.21 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1wac h SER 52 CO -0.19 0.50 -0.22 0.15 -0.53 0.00 0.00 176.83 176.53 1wac h PHE 53 N 0.90 -0.59 -0.48 2.24 3.57 0.17 -1.58 116.94 121.17 1wac h PHE 53 Ca 0.35 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.94 1wac h PHE 53 Cb 0.16 0.21 -0.08 0.00 2.79 0.00 0.00 35.95 39.03 1wac h PHE 53 CO -0.04 -0.34 -0.00 0.87 -2.23 0.00 0.00 178.31 176.56 1wac h LYS 54 N -0.55 0.11 -0.86 1.11 1.79 -0.17 -0.30 116.57 117.71 1wac h LYS 54 Ca -0.03 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1wac h LYS 54 Cb 0.46 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.03 1wac h LYS 54 CO 0.02 0.07 0.54 -0.97 -1.08 0.00 0.00 179.45 178.04 1wac h ASN 55 N 0.11 0.89 0.13 0.86 -1.24 -0.28 -0.78 115.58 115.26 1wac h ASN 55 Ca 0.24 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.25 1wac h ASN 55 Cb 0.36 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.22 1wac h ASN 55 CO -0.41 0.60 -0.06 -0.08 -1.29 0.00 0.00 177.43 176.19 1wac h GLU 56 N 1.04 -0.17 -0.56 6.67 4.81 -0.62 -3.21 114.58 122.54 1wac h GLU 56 Ca 0.35 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.68 1wac h GLU 56 Cb 0.06 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 1wac h GLU 56 CO -0.14 0.28 0.18 1.25 -0.73 0.00 0.00 179.01 179.85 1wac h LEU 57 N -0.91 0.16 -0.10 1.64 5.85 -1.06 0.47 115.31 121.36 1wac h LEU 57 Ca -0.02 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1wac h LEU 57 Cb 0.52 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 1wac h LEU 57 CO 0.03 0.10 -0.34 0.77 -0.34 0.00 0.00 178.44 178.66 1wac h SER 58 N 0.35 -1.05 0.03 1.25 4.64 -1.25 0.17 113.55 117.69 1wac h SER 58 Ca 0.28 0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1wac h SER 58 Cb 0.35 0.44 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1wac h SER 58 CO -0.30 -0.38 -0.02 0.03 -0.87 0.00 0.00 176.83 175.29 1wac h ARG 59 N -0.43 -0.04 0.34 4.77 3.08 -1.48 -2.13 114.38 118.49 1wac h ARG 59 Ca 0.08 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1wac h ARG 59 Cb 0.57 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 1wac h ARG 59 CO -0.34 0.03 -0.47 -0.92 -1.07 0.00 0.00 179.97 177.19 1wac h TYR 60 N -0.10 -1.33 -0.33 3.04 3.20 -0.40 -0.12 116.97 120.92 1wac h TYR 60 Ca -0.00 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.98 1wac h TYR 60 Cb 0.09 0.54 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1wac h TYR 60 CO -0.06 -0.59 0.30 -0.07 -1.64 0.00 0.00 178.16 176.10 1wac h LEU 61 N -0.84 0.00 0.10 2.82 3.38 -0.69 -1.01 115.31 119.07 1wac h LEU 61 Ca -0.04 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.65 1wac h LEU 61 Cb 0.77 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1wac h LEU 61 CO -0.13 0.00 -1.24 0.74 0.09 0.00 0.00 178.44 177.90 1wac h THR 62 N 0.00 1.42 0.00 0.22 2.02 -0.59 -1.45 112.91 114.53 1wac h THR 62 Ca 0.16 -2.82 -0.01 0.00 0.77 0.00 0.00 66.41 64.50 1wac h THR 62 Cb 0.76 2.85 -0.00 0.00 -1.74 0.00 0.00 68.15 70.02 1wac h THR 62 CO -0.00 0.83 -0.06 0.44 0.37 0.00 0.00 175.52 177.10 1wac h ASP 63 N 0.14 0.00 -0.00 4.18 3.45 0.22 -3.27 116.42 121.14 1wac h ASP 63 Ca -0.16 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.30 1wac h ASP 63 Cb 1.94 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.71 1wac h ASP 63 CO 0.22 0.06 -0.33 1.41 -1.57 0.00 0.00 179.24 179.02 1wac n HIS 64 N -3.15 0.00 -3.19 4.55 8.25 -0.73 -4.76 115.22 116.19 1wac n HIS 64 Ca 0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.28 1wac n HIS 64 Cb 0.40 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.47 1wac n HIS 64 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1wac n PHE 65 N -0.66 0.17 -1.25 4.41 3.72 -0.55 -5.06 117.46 118.23 1wac n PHE 65 Ca 0.03 -3.77 -0.38 0.00 -0.05 0.00 0.00 57.45 53.29 1wac n PHE 65 Cb 0.20 -0.41 0.04 0.00 -0.94 0.00 0.00 39.48 38.37 1wac n PHE 65 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1wac n PRO 66 N 0.53 0.18 -2.37 -1.08 -0.02 -1.25 -4.84 135.00 126.15 1wac n PRO 66 Ca 0.24 0.08 -0.33 0.00 -2.02 0.00 0.00 63.50 61.47 1wac n PRO 66 Cb 0.62 -1.38 -0.02 0.00 -0.02 0.00 0.00 33.50 32.70 1wac n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wac s ALA 67 N -1.93 2.89 -0.61 3.55 0.00 -1.26 -4.61 121.76 119.80 1wac s ALA 67 Ca 0.59 0.41 0.05 0.00 0.00 0.00 0.00 51.96 53.01 1wac s ALA 67 Cb -0.40 -3.20 0.18 0.00 0.00 0.00 0.00 23.12 19.70 1wac s ALA 67 CO 0.64 -0.41 0.48 0.09 0.00 0.00 0.00 175.76 176.55 1wac n ASN 68 N -1.44 2.03 -4.12 0.00 5.03 0.15 -4.96 115.26 111.96 1wac n ASN 68 Ca 0.08 -2.99 -0.28 0.00 0.87 0.00 0.00 54.58 52.27 1wac n ASN 68 Cb 0.53 -0.69 -0.17 0.00 -1.02 0.00 0.00 39.78 38.43 1wac n ASN 68 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1wac s VAL 69 N -1.14 1.54 0.87 2.41 1.01 -1.26 -0.41 120.40 123.41 1wac s VAL 69 Ca 0.29 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1wac s VAL 69 Cb 0.01 -1.36 0.15 0.00 0.00 0.00 0.00 36.38 35.18 1wac s VAL 69 CO -0.16 0.44 1.22 1.51 0.00 0.00 0.00 175.10 178.11 1wac s ASP 70 N 0.46 3.76 0.59 3.32 3.84 0.17 -4.84 116.67 123.96 1wac s ASP 70 Ca -0.15 0.32 0.27 0.00 -0.00 0.00 0.00 52.55 52.99 1wac s ASP 70 Cb -0.16 -0.57 1.47 0.00 -1.38 0.00 0.00 42.92 42.28 1wac s ASP 70 CO 0.06 -2.32 1.81 1.05 -0.00 0.00 0.00 175.17 175.77 1wac h GLU 71 N -1.26 0.00 -0.64 2.11 4.11 -2.01 0.37 114.58 117.26 1wac h GLU 71 Ca -0.44 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 58.85 1wac h GLU 71 Cb 1.27 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.43 1wac h GLU 71 CO 0.47 0.00 0.17 0.66 0.07 0.00 0.00 179.01 180.38 1wac n TYR 72 N -2.71 2.19 -1.19 2.06 4.01 -1.26 -4.89 117.16 115.38 1wac n TYR 72 Ca -0.02 -1.08 -0.06 0.00 -0.16 0.00 0.00 57.90 56.58 1wac n TYR 72 Cb 0.34 -0.61 -0.03 0.00 -0.31 0.00 0.00 39.34 38.73 1wac n TYR 72 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wac n GLY 73 N -0.04 0.73 3.70 2.72 0.00 0.13 -4.79 105.19 107.64 1wac n GLY 73 Ca 0.36 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1wac n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wac s ARG 74 N -2.23 4.44 -0.09 1.61 0.52 -1.24 0.13 118.95 122.09 1wac s ARG 74 Ca 0.00 1.23 -0.18 0.00 -0.52 0.00 0.00 55.73 56.25 1wac s ARG 74 Cb 0.00 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 1wac s ARG 74 CO 0.00 -0.16 0.50 0.54 0.02 0.00 0.00 175.30 176.20 1wac s VAL 75 N 1.49 5.14 0.00 3.52 0.11 -1.26 0.45 120.40 129.85 1wac s VAL 75 Ca 0.45 1.01 0.00 0.00 -2.93 0.00 0.00 61.98 60.51 1wac s VAL 75 Cb -0.19 -3.84 0.00 0.00 -1.53 0.00 0.00 36.38 30.83 1wac s VAL 75 CO 0.20 0.35 0.00 0.00 -3.33 0.00 0.00 175.10 172.32 1wac n TYR 76 N 3.44 0.00 0.00 1.54 0.18 0.45 -1.28 117.16 121.49 1wac n TYR 76 Ca -0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.71 1wac n TYR 76 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 1wac n TYR 76 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1wac n GLY 77 N 1.66 3.51 0.00 -7.48 0.00 -1.26 -2.01 105.19 99.61 1wac n GLY 77 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.20 1wac n GLY 77 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wac n ASN 78 N 5.67 0.00 0.00 1.61 2.04 -1.26 -4.83 115.26 118.48 1wac n ASN 78 Ca 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 54.58 54.16 1wac n ASN 78 Cb 0.00 -0.21 0.00 0.00 -2.53 0.00 0.00 39.78 37.04 1wac n ASN 78 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1wac n GLY 79 N -0.40 1.37 3.73 4.83 0.00 -0.85 -4.19 105.19 109.67 1wac n GLY 79 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1wac n GLY 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wac s VAL 80 N -2.85 3.80 -0.65 1.61 1.01 -1.26 -4.80 120.40 117.27 1wac s VAL 80 Ca 0.00 1.41 0.07 0.00 0.00 0.00 0.00 61.98 63.45 1wac s VAL 80 Cb 0.00 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1wac s VAL 80 CO 0.00 0.18 0.55 -2.11 0.00 0.00 0.00 175.10 173.71 1wac n ARG 81 N 3.14 1.82 -3.84 2.72 1.85 -1.26 0.34 116.66 121.43 1wac n ARG 81 Ca 0.06 -0.57 -0.03 0.00 -1.00 0.00 0.00 57.85 56.31 1wac n ARG 81 Cb 0.45 -1.00 0.01 0.00 -1.05 0.00 0.00 32.46 30.87 1wac n ARG 81 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 1wac s THR 82 N -0.94 0.00 1.03 8.89 -1.32 -1.26 -4.86 115.64 117.18 1wac s THR 82 Ca 0.06 -0.62 -0.16 0.00 -1.21 0.00 0.00 61.69 59.76 1wac s THR 82 Cb 0.05 -2.63 0.22 0.00 -1.51 0.00 0.00 72.50 68.63 1wac s THR 82 CO 0.15 0.00 1.22 0.54 -2.21 0.00 0.00 174.62 174.32 1wac s ASN 83 N -3.26 2.45 -0.29 8.08 2.20 -1.26 -4.65 114.94 118.21 1wac s ASN 83 Ca 0.19 0.50 0.11 0.00 -0.94 0.00 0.00 52.86 52.72 1wac s ASN 83 Cb -0.02 -0.70 0.64 0.00 -2.00 0.00 0.00 41.25 39.16 1wac s ASN 83 CO 0.05 -3.16 1.64 0.49 -2.94 0.00 0.00 177.10 173.18 1wac n PHE 84 N -4.10 1.81 1.26 1.54 3.01 -1.26 -4.56 117.46 115.17 1wac n PHE 84 Ca 0.13 -1.25 0.12 0.00 1.01 0.00 0.00 57.45 57.46 1wac n PHE 84 Cb 0.59 -0.57 0.65 0.00 -0.01 0.00 0.00 39.48 40.15 1wac n PHE 84 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1wac n PHE 85 N -0.53 0.00 -0.31 1.38 0.99 -1.26 -3.37 117.46 114.36 1wac n PHE 85 Ca 0.36 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.85 1wac n PHE 85 Cb 1.21 -0.21 0.24 0.00 -1.00 0.00 0.00 39.48 39.72 1wac n PHE 85 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1wac h GLY 86 N 4.00 1.35 2.00 1.37 0.00 -1.83 -0.25 103.07 109.71 1wac h GLY 86 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1wac h GLY 86 CO 0.00 0.28 0.00 1.15 0.00 0.00 0.00 176.54 177.97 1wac n MET 87 N -4.50 0.12 0.00 4.80 0.00 -1.22 -3.25 117.12 113.08 1wac n MET 87 Ca 0.14 0.59 0.00 0.00 0.00 0.00 0.00 57.70 58.43 1wac n MET 87 Cb 0.22 -1.87 0.00 0.00 0.00 0.00 0.00 33.22 31.57 1wac n MET 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1wac n ARG 88 N -2.13 0.69 -3.97 3.17 1.74 -0.10 -4.81 116.66 111.25 1wac n ARG 88 Ca -0.01 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 1wac n ARG 88 Cb 0.05 -1.20 -0.05 0.00 -1.02 0.00 0.00 32.46 30.25 1wac n ARG 88 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1wac s HIS 89 N 0.02 3.40 -1.23 -1.55 3.76 -1.20 -1.28 115.29 117.21 1wac s HIS 89 Ca 0.00 0.17 -0.10 0.00 -0.15 0.00 0.00 55.06 54.98 1wac s HIS 89 Cb 0.00 -1.70 0.19 0.00 1.11 0.00 0.00 32.58 32.18 1wac s HIS 89 CO 0.00 0.56 1.67 -1.33 -0.85 0.00 0.00 174.74 174.79 1wac n MET 90 N 0.21 3.63 -1.43 1.40 2.81 0.16 -4.84 117.12 119.06 1wac n MET 90 Ca -0.06 -3.78 -0.60 0.00 -1.81 0.00 0.00 57.70 51.45 1wac n MET 90 Cb 0.52 -2.90 -0.10 0.00 -0.71 0.00 0.00 33.22 30.02 1wac n MET 90 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1wac n ASN 91 N 4.08 1.19 0.00 7.83 3.02 -1.26 -1.19 115.26 128.93 1wac n ASN 91 Ca 0.37 0.80 0.00 0.00 -0.03 0.00 0.00 54.58 55.71 1wac n ASN 91 Cb 0.38 -0.97 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1wac n ASN 91 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wac n GLY 92 N 6.27 2.03 3.07 7.41 0.00 -1.26 -2.55 105.19 120.17 1wac n GLY 92 Ca 0.45 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.13 1wac n GLY 92 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wac s PHE 93 N -1.70 3.65 0.52 1.61 0.40 -0.33 -1.02 117.98 121.10 1wac s PHE 93 Ca 0.00 -2.66 -0.20 0.00 -0.60 0.00 0.00 56.93 53.47 1wac s PHE 93 Cb 0.00 -2.98 -0.07 0.00 0.51 0.00 0.00 43.02 40.48 1wac s PHE 93 CO 0.00 -0.95 1.09 -1.25 0.70 0.00 0.00 175.22 174.81 1wac s PRO 94 N 1.03 3.56 0.34 0.24 0.04 -1.26 -0.38 135.00 138.57 1wac s PRO 94 Ca 0.08 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.33 1wac s PRO 94 Cb -0.21 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 1wac s PRO 94 CO -0.06 -0.65 1.37 0.00 0.04 0.00 0.00 177.00 177.70 1wac s MET 95 N -3.27 4.28 -0.14 4.56 0.23 0.10 -4.72 119.30 120.35 1wac s MET 95 Ca 0.70 2.32 -0.03 0.00 -1.03 0.00 0.00 55.69 57.65 1wac s MET 95 Cb -0.20 -3.04 -0.03 0.00 -1.53 0.00 0.00 34.83 30.02 1wac s MET 95 CO 0.24 -0.30 -0.02 0.42 -2.03 0.00 0.00 175.02 173.33 1wac s ILE 96 N -1.06 4.09 0.50 3.16 -1.09 -1.03 -3.97 121.20 121.81 1wac s ILE 96 Ca 0.51 -0.30 0.08 0.00 -2.23 0.00 0.00 60.65 58.71 1wac s ILE 96 Cb -0.42 -2.78 0.04 0.00 -1.58 0.00 0.00 42.46 37.73 1wac s ILE 96 CO 0.55 0.52 0.59 -2.16 -1.23 0.00 0.00 174.94 173.21 1wac s PRO 97 N 0.01 2.45 0.75 2.79 0.04 -1.26 0.86 135.00 140.64 1wac s PRO 97 Ca 0.02 -1.61 -0.08 0.00 0.04 0.00 0.00 61.00 59.36 1wac s PRO 97 Cb -0.13 -2.51 0.08 0.00 0.04 0.00 0.00 34.50 31.98 1wac s PRO 97 CO 0.02 -0.56 1.08 0.00 0.04 0.00 0.00 177.00 177.58 1wac s ALA 98 N -2.58 3.00 0.40 8.56 0.00 0.20 -4.73 121.76 126.61 1wac s ALA 98 Ca 0.52 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 51.41 1wac s ALA 98 Cb -0.05 -2.65 -0.07 0.00 0.00 0.00 0.00 23.12 20.34 1wac s ALA 98 CO 0.32 -1.50 0.80 -0.08 0.00 0.00 0.00 175.76 175.30 1wac s THR 99 N -3.37 4.72 0.17 0.00 -1.32 -1.26 -4.82 115.64 109.76 1wac s THR 99 Ca 0.62 0.78 -0.18 0.00 -1.21 0.00 0.00 61.69 61.71 1wac s THR 99 Cb -0.10 -3.70 -0.08 0.00 -1.51 0.00 0.00 72.50 67.11 1wac s THR 99 CO 0.46 -0.47 0.64 0.26 -2.21 0.00 0.00 174.62 173.30 1wac s TRP 100 N -2.32 3.66 -0.09 9.09 0.52 -0.13 -4.90 118.94 124.76 1wac s TRP 100 Ca 0.53 1.25 -0.28 0.00 0.02 0.00 0.00 56.10 57.62 1wac s TRP 100 Cb -0.10 -2.51 -0.02 0.00 -1.15 0.00 0.00 33.47 29.69 1wac s TRP 100 CO 0.28 0.40 0.94 -1.25 0.02 0.00 0.00 176.95 177.34 1wac s PRO 101 N -1.86 4.43 0.22 4.98 0.04 -1.26 -4.43 135.00 137.13 1wac s PRO 101 Ca 0.39 1.28 -0.32 0.00 0.04 0.00 0.00 61.00 62.39 1wac s PRO 101 Cb -0.16 -3.52 -0.13 0.00 0.04 0.00 0.00 34.50 30.72 1wac s PRO 101 CO 0.20 -0.22 1.50 1.28 0.04 0.00 0.00 177.00 179.80 1wac n LEU 102 N 4.68 3.28 0.07 -3.56 4.32 -1.26 -4.82 117.00 119.71 1wac n LEU 102 Ca 0.06 1.12 -0.05 0.00 -0.02 0.00 0.00 56.01 57.13 1wac n LEU 102 Cb 0.49 -1.45 -0.09 0.00 -1.62 0.00 0.00 43.42 40.75 1wac n LEU 102 CO 0.51 -0.33 0.14 0.00 -1.22 0.00 0.00 177.39 176.49 1wac h ALA 103 N 4.92 0.47 -3.65 -1.18 0.00 -1.68 -3.40 119.26 114.74 1wac h ALA 103 Ca -0.45 -0.86 -0.44 0.00 0.00 0.00 0.00 54.91 53.16 1wac h ALA 103 Cb 1.26 -0.07 -0.32 0.00 0.00 0.00 0.00 17.79 18.66 1wac h ALA 103 CO 0.81 1.14 -0.79 0.45 0.00 0.00 0.00 179.25 180.86 1wac s SER 104 N -6.57 1.26 -0.14 0.00 0.15 -1.23 0.09 113.70 107.26 1wac s SER 104 Ca 0.01 -0.20 0.15 0.00 0.70 0.00 0.00 55.95 56.62 1wac s SER 104 Cb 0.09 -0.46 0.51 0.00 -1.71 0.00 0.00 66.02 64.46 1wac s SER 104 CO 0.80 0.03 1.42 -0.46 1.20 0.00 0.00 173.24 176.24 1wac n ASN 105 N 3.58 3.86 -0.04 5.45 6.94 0.32 -4.44 115.26 130.93 1wac n ASN 105 Ca -0.21 -2.74 -0.13 0.00 -0.02 0.00 0.00 54.58 51.48 1wac n ASN 105 Cb 0.53 -0.49 -0.07 0.00 -2.36 0.00 0.00 39.78 37.39 1wac n ASN 105 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1wac h LEU 106 N 2.16 0.26 -1.01 -4.53 3.38 -1.91 -1.86 115.31 111.80 1wac h LEU 106 Ca 0.00 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.52 1wac h LEU 106 Cb 1.32 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 1wac h LEU 106 CO 0.19 0.61 0.31 0.50 0.09 0.00 0.00 178.44 180.15 1wac h LYS 107 N -0.10 1.02 0.03 1.13 3.64 -1.82 -0.71 116.57 119.75 1wac h LYS 107 Ca 0.03 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1wac h LYS 107 Cb 0.52 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1wac h LYS 107 CO 0.02 0.81 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.69 1wac h LYS 108 N 1.01 -0.16 -0.60 1.90 3.64 -1.77 0.64 116.57 121.23 1wac h LYS 108 Ca 0.24 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1wac h LYS 108 Cb 0.14 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1wac h LYS 108 CO -0.03 -0.11 0.27 0.00 -2.27 0.00 0.00 179.45 177.32 1wac h ARG 109 N -0.17 0.87 0.36 1.90 3.08 -1.09 -2.92 114.38 116.42 1wac h ARG 109 Ca 0.03 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1wac h ARG 109 Cb 0.20 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1wac h ARG 109 CO -0.07 0.72 -0.17 0.00 -1.07 0.00 0.00 179.97 179.37 1wac h ALA 110 N 1.11 -0.48 0.00 0.04 0.00 -0.71 0.62 119.26 119.84 1wac h ALA 110 Ca 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wac h ALA 110 Cb 0.15 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1wac h ALA 110 CO -0.02 -0.70 0.00 -0.25 0.00 0.00 0.00 179.25 178.28 1wac n ASP 111 N -5.24 0.00 -0.07 0.00 8.00 0.22 -0.17 116.55 119.29 1wac n ASP 111 Ca -0.10 -0.27 0.03 0.00 0.71 0.00 0.00 54.79 55.15 1wac n ASP 111 Cb 0.25 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.38 1wac n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wac n ALA 112 N -0.57 1.90 -3.65 2.24 0.00 -0.79 -4.97 120.51 114.68 1wac n ALA 112 Ca 0.00 -1.35 -0.27 0.00 0.00 0.00 0.00 53.44 51.82 1wac n ALA 112 Cb 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 19.45 19.34 1wac n ALA 112 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wac n ASP 113 N -0.62 -5.26 -4.79 0.00 8.00 0.75 -4.96 116.55 109.67 1wac n ASP 113 Ca 0.04 -0.60 -0.36 0.00 0.71 0.00 0.00 54.79 54.58 1wac n ASP 113 Cb 0.44 -4.20 -0.07 0.00 -0.02 0.00 0.00 41.12 37.26 1wac n ASP 113 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1wac s LEU 114 N -7.11 4.21 0.54 0.64 1.43 0.14 -4.83 118.68 113.70 1wac s LEU 114 Ca 0.57 0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 53.78 1wac s LEU 114 Cb -0.27 -2.05 -0.06 0.00 0.03 0.00 0.00 46.19 43.84 1wac s LEU 114 CO 0.70 0.31 1.27 0.00 0.23 0.00 0.00 176.35 178.86 1wac n ALA 115 N 2.64 1.25 -1.00 4.21 0.00 0.23 -4.28 120.51 123.55 1wac n ALA 115 Ca -0.18 0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.33 1wac n ALA 115 Cb 0.54 -2.29 0.31 0.00 0.00 0.00 0.00 19.45 18.00 1wac n ALA 115 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wac n ASP 116 N -0.78 4.90 0.00 0.00 3.85 -1.26 -4.93 116.55 118.33 1wac n ASP 116 Ca 0.11 -3.19 0.00 0.00 -0.71 0.00 0.00 54.79 50.99 1wac n ASP 116 Cb 0.44 -0.75 0.00 0.00 -1.35 0.00 0.00 41.12 39.47 1wac n ASP 116 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wac n GLY 117 N -0.09 -0.47 3.76 6.12 0.00 -1.26 -4.86 105.19 108.38 1wac n GLY 117 Ca 0.40 -1.12 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 1wac n GLY 117 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1wac s PRO 118 N -2.00 4.18 0.35 1.61 0.02 -1.26 -4.87 135.00 133.04 1wac s PRO 118 Ca 0.00 2.46 0.21 0.00 0.02 0.00 0.00 61.00 63.70 1wac s PRO 118 Cb 0.00 -3.04 0.21 0.00 0.02 0.00 0.00 34.50 31.69 1wac s PRO 118 CO 0.00 -0.50 1.44 -0.39 -0.33 0.00 0.00 177.00 177.21 1wac h VAL 119 N 3.31 0.15 -4.01 3.83 -1.51 -1.97 -3.47 116.25 112.57 1wac h VAL 119 Ca -0.48 -1.22 -0.19 0.00 -1.23 0.00 0.00 66.70 63.58 1wac h VAL 119 Cb 1.22 1.96 -0.18 0.00 -2.13 0.00 0.00 31.29 32.16 1wac h VAL 119 CO 0.74 0.08 -0.70 -0.94 -1.23 0.00 0.00 177.57 175.52 1wac s SER 120 N -6.05 0.64 0.37 4.19 1.04 -1.26 -5.02 113.70 107.61 1wac s SER 120 Ca 0.05 -0.75 0.09 0.00 0.48 0.00 0.00 55.95 55.81 1wac s SER 120 Cb 0.06 0.11 0.84 0.00 0.10 0.00 0.00 66.02 67.13 1wac s SER 120 CO 0.71 -0.39 1.92 -0.08 0.98 0.00 0.00 173.24 176.38 1wac h GLU 121 N 3.86 0.64 0.71 4.02 4.57 -1.99 -1.03 114.58 125.35 1wac h GLU 121 Ca -0.34 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 57.77 1wac h GLU 121 Cb 1.18 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1wac h GLU 121 CO 0.53 0.42 -0.41 -0.09 -1.18 0.00 0.00 179.01 178.28 1wac h ARG 122 N 0.66 -1.00 -0.54 1.92 2.43 -1.95 -1.37 114.38 114.53 1wac h ARG 122 Ca 0.37 0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.70 1wac h ARG 122 Cb 0.54 0.23 -0.08 0.00 -0.42 0.00 0.00 29.97 30.24 1wac h ARG 122 CO -0.14 -0.67 0.10 -0.44 -1.51 0.00 0.00 179.97 177.31 1wac h ASP 123 N -1.04 -0.02 -0.71 -3.80 3.45 -1.78 -0.05 116.42 112.47 1wac h ASP 123 Ca -0.09 0.10 0.11 0.00 0.43 0.00 0.00 57.03 57.57 1wac h ASP 123 Cb 0.83 0.14 -0.08 0.00 -0.56 0.00 0.00 39.33 39.67 1wac h ASP 123 CO 0.11 0.01 0.32 -1.13 -1.57 0.00 0.00 179.24 176.99 1wac h ASN 124 N 0.23 0.38 -0.61 6.45 -1.24 -0.96 0.70 115.58 120.52 1wac h ASN 124 Ca 0.27 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.36 1wac h ASN 124 Cb 0.39 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.43 1wac h ASN 124 CO -0.36 0.20 0.39 -0.07 -1.29 0.00 0.00 177.43 176.30 1wac h LEU 125 N 0.53 0.72 0.30 0.34 3.38 0.09 -2.37 115.31 118.30 1wac h LEU 125 Ca 0.36 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1wac h LEU 125 Cb 0.44 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1wac h LEU 125 CO -0.31 0.55 -0.14 -0.07 0.09 0.00 0.00 178.44 178.55 1wac h LEU 126 N 0.83 -0.34 -0.23 1.67 3.38 0.43 0.30 115.31 121.34 1wac h LEU 126 Ca 0.22 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.25 1wac h LEU 126 Cb -0.06 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 1wac h LEU 126 CO -0.04 -0.22 -0.24 -0.26 0.09 0.00 0.00 178.44 177.76 1wac h PHE 127 N -0.43 -0.64 -0.89 1.13 -1.00 -0.94 0.11 116.94 114.29 1wac h PHE 127 Ca -0.04 0.04 0.07 0.00 2.81 0.00 0.00 57.97 60.85 1wac h PHE 127 Cb 0.33 0.32 -0.07 0.00 3.61 0.00 0.00 35.95 40.14 1wac h PHE 127 CO -0.05 -0.32 0.55 0.00 -1.61 0.00 0.00 178.31 176.88 1wac h ARG 128 N -0.25 0.95 -0.32 1.51 3.08 -1.23 -0.35 114.38 117.76 1wac h ARG 128 Ca 0.13 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1wac h ARG 128 Cb 0.46 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1wac h ARG 128 CO -0.38 0.63 0.05 0.00 -1.07 0.00 0.00 179.97 179.20 1wac h ALA 129 N 1.43 0.33 -0.96 0.04 0.00 0.14 -0.10 119.26 120.13 1wac h ALA 129 Ca 0.40 0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.48 1wac h ALA 129 Cb 0.23 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.02 1wac h ALA 129 CO -0.19 -0.35 0.60 0.00 0.00 0.00 0.00 179.25 179.30 1wac h ALA 130 N 1.24 1.42 0.12 0.00 0.00 0.78 0.27 119.26 123.09 1wac h ALA 130 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1wac h ALA 130 Cb 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wac h ALA 130 CO -0.20 0.23 -0.06 0.28 0.00 0.00 0.00 179.25 179.49 1wac h VAL 131 N 0.97 0.92 -0.02 0.00 2.07 -0.13 -0.43 116.25 119.64 1wac h VAL 131 Ca 0.47 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.88 1wac h VAL 131 Cb 0.42 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1wac h VAL 131 CO -0.25 0.03 -0.19 0.03 0.02 0.00 0.00 177.57 177.22 1wac h ARG 132 N -0.23 -0.29 -0.53 1.57 3.08 0.19 -0.03 114.38 118.15 1wac h ARG 132 Ca -0.02 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1wac h ARG 132 Cb 0.18 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1wac h ARG 132 CO 0.03 -0.19 0.25 -0.07 -1.07 0.00 0.00 179.97 178.92 1wac h LEU 133 N -0.30 0.67 0.06 3.04 3.38 -0.44 -2.75 115.31 118.98 1wac h LEU 133 Ca 0.06 -0.06 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 1wac h LEU 133 Cb 0.38 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.98 1wac h LEU 133 CO -0.19 0.58 -1.15 0.24 0.09 0.00 0.00 178.44 178.01 1wac h MET 134 N 0.75 0.65 -0.67 1.13 2.86 -0.58 -3.35 114.93 115.72 1wac h MET 134 Ca 0.19 -0.79 0.00 0.00 -2.06 0.00 0.00 59.70 57.04 1wac h MET 134 Cb 0.09 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1wac h MET 134 CO -0.02 1.35 0.00 1.19 1.06 0.00 0.00 176.91 180.49 1wac n PHE 135 N -3.81 1.45 0.00 -0.22 3.01 -0.07 -4.75 117.46 113.06 1wac n PHE 135 Ca -0.12 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.74 1wac n PHE 135 Cb 0.94 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 40.19 1wac n PHE 135 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1wac n SER 136 N 1.20 0.00 -3.79 4.37 3.41 -1.04 -4.60 113.62 113.17 1wac n SER 136 Ca 0.26 0.30 -0.39 0.00 -0.26 0.00 0.00 58.87 58.78 1wac n SER 136 Cb 0.87 -0.20 -0.01 0.00 -0.26 0.00 0.00 64.21 64.61 1wac n SER 136 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wac n ASP 137 N -1.09 5.88 -4.81 4.04 9.92 -1.26 -4.93 116.55 124.29 1wac n ASP 137 Ca 0.00 -3.46 -0.33 0.00 -0.53 0.00 0.00 54.79 50.47 1wac n ASP 137 Cb 0.00 -1.10 -0.01 0.00 -0.64 0.00 0.00 41.12 39.37 1wac n ASP 137 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1wac s LEU 138 N -2.93 3.61 -0.12 0.64 1.43 -1.26 -5.02 118.68 115.03 1wac s LEU 138 Ca 0.34 1.78 0.01 0.00 -1.03 0.00 0.00 54.13 55.24 1wac s LEU 138 Cb 0.10 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.77 1wac s LEU 138 CO 0.05 -0.94 -0.16 -1.61 0.23 0.00 0.00 176.35 173.92 1wac s GLU 139 N -3.89 3.23 0.47 1.70 0.41 -1.26 -5.11 118.70 114.25 1wac s GLU 139 Ca 0.63 -0.74 -0.23 0.00 -0.41 0.00 0.00 54.97 54.22 1wac s GLU 139 Cb -0.15 -2.52 -0.07 0.00 -1.78 0.00 0.00 34.13 29.61 1wac s GLU 139 CO 0.32 0.24 1.23 -1.25 -0.49 0.00 0.00 175.26 175.30 1wac s PRO 140 N 0.26 3.68 0.07 0.39 0.04 -1.26 -4.72 135.00 133.45 1wac s PRO 140 Ca -0.11 1.93 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 1wac s PRO 140 Cb -0.16 -2.44 0.01 0.00 0.04 0.00 0.00 34.50 31.95 1wac s PRO 140 CO 0.06 -0.66 0.28 0.14 0.04 0.00 0.00 177.00 176.85 1wac s VAL 141 N -1.44 0.10 0.58 -0.36 -7.23 -1.26 -4.97 120.40 105.82 1wac s VAL 141 Ca 0.64 -0.81 -0.19 0.00 -1.81 0.00 0.00 61.98 59.80 1wac s VAL 141 Cb -0.33 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.50 1wac s VAL 141 CO 0.40 -0.45 1.04 -0.81 -0.31 0.00 0.00 175.10 174.97 1wac n PRO 142 N 0.32 1.06 -2.83 4.82 -0.04 -1.26 -4.84 135.00 132.23 1wac n PRO 142 Ca -0.17 0.40 -0.43 0.00 -0.04 0.00 0.00 63.50 63.26 1wac n PRO 142 Cb 0.61 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.79 1wac n PRO 142 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1wac s LEU 143 N -2.25 4.07 0.30 1.53 0.20 -1.23 -4.81 118.68 116.48 1wac s LEU 143 Ca 0.75 -0.29 -0.24 0.00 0.69 0.00 0.00 54.13 55.04 1wac s LEU 143 Cb -0.43 -2.88 -0.09 0.00 -0.43 0.00 0.00 46.19 42.36 1wac s LEU 143 CO 0.48 -1.22 0.88 -0.54 -0.29 0.00 0.00 176.35 175.65 1wac s LYS 144 N 3.97 4.46 -0.05 1.98 -0.14 -1.26 -1.14 119.74 127.56 1wac s LYS 144 Ca 0.32 1.17 0.04 0.00 -1.36 0.00 0.00 55.97 56.14 1wac s LYS 144 Cb -0.12 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.24 1wac s LYS 144 CO 0.20 0.30 -0.16 0.42 -0.76 0.00 0.00 175.35 175.35 1wac s ILE 145 N -1.62 1.34 0.24 2.17 1.01 1.00 -4.93 121.20 120.41 1wac s ILE 145 Ca 0.49 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 1wac s ILE 145 Cb -0.17 -1.17 -0.09 0.00 0.01 0.00 0.00 42.46 41.04 1wac s ILE 145 CO 0.22 0.39 1.20 -0.60 0.00 0.00 0.00 174.94 176.15 1wac s ARG 146 N 0.17 4.50 0.30 2.79 3.00 -1.26 -1.75 118.95 126.70 1wac s ARG 146 Ca -0.06 1.94 -0.29 0.00 -1.00 0.00 0.00 55.73 56.31 1wac s ARG 146 Cb -0.12 -3.19 -0.10 0.00 0.00 0.00 0.00 34.95 31.54 1wac s ARG 146 CO 0.03 -0.03 1.27 0.15 0.00 0.00 0.00 175.30 176.72 1wac s LYS 147 N -0.91 4.41 0.00 5.12 -0.14 0.08 -3.49 119.74 124.82 1wac s LYS 147 Ca 0.50 2.11 0.00 0.00 -1.36 0.00 0.00 55.97 57.22 1wac s LYS 147 Cb -0.34 -3.12 0.00 0.00 -1.68 0.00 0.00 37.83 32.69 1wac s LYS 147 CO 0.41 -0.13 0.00 0.41 -0.76 0.00 0.00 175.35 175.28 1wac n GLY 148 N 1.18 2.17 3.40 -3.33 0.00 -1.26 -4.64 105.19 102.72 1wac n GLY 148 Ca 0.01 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1wac n GLY 148 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wac n SER 149 N 1.18 -2.19 -4.81 1.61 3.41 -1.23 -4.71 113.62 106.88 1wac n SER 149 Ca 0.00 0.37 -0.36 0.00 -0.26 0.00 0.00 58.87 58.61 1wac n SER 149 Cb 0.00 -1.18 -0.07 0.00 -0.26 0.00 0.00 64.21 62.70 1wac n SER 149 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wac s SER 150 N -1.85 6.02 0.52 4.04 0.15 -1.26 -4.37 113.70 116.95 1wac s SER 150 Ca 0.57 0.35 0.30 0.00 0.70 0.00 0.00 55.95 57.87 1wac s SER 150 Cb -0.23 -1.90 1.24 0.00 -1.71 0.00 0.00 66.02 63.42 1wac s SER 150 CO 0.67 0.38 1.94 0.71 1.20 0.00 0.00 173.24 178.14 1wac h THR 151 N 4.11 0.21 -1.02 6.45 1.35 -1.61 -3.47 112.91 118.92 1wac h THR 151 Ca -0.52 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1wac h THR 151 Cb 1.21 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1wac h THR 151 CO 0.58 0.08 0.00 0.00 -0.25 0.00 0.00 175.52 175.93 1wac n ILE 153 N -0.18 0.09 -0.04 0.00 5.41 -1.26 -0.91 119.36 122.47 1wac n ILE 153 Ca 0.00 -0.02 -0.10 0.00 1.00 0.00 0.00 62.75 63.63 1wac n ILE 153 Cb 0.00 -0.76 -0.14 0.00 -0.71 0.00 0.00 39.64 38.03 1wac n ILE 153 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1wac n PRO 154 N 3.37 0.65 0.01 0.38 -0.04 -1.26 -4.20 135.00 133.91 1wac n PRO 154 Ca 0.23 0.23 -0.14 0.00 -0.04 0.00 0.00 63.50 63.78 1wac n PRO 154 Cb 0.12 -1.73 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 1wac n PRO 154 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1wac h TYR 155 N 0.01 0.86 -5.56 0.54 0.05 -1.65 -0.30 116.97 110.91 1wac h TYR 155 Ca -0.35 -0.37 -0.36 0.00 0.05 0.00 0.00 58.73 57.69 1wac h TYR 155 Cb 2.06 -0.13 0.14 0.00 1.01 0.00 0.00 36.73 39.81 1wac h TYR 155 CO 0.01 1.17 -0.67 1.19 -1.05 0.00 0.00 178.16 178.81 1wac n PHE 156 N -3.90 -2.54 -3.29 4.88 3.72 -0.09 -4.20 117.46 112.04 1wac n PHE 156 Ca -0.06 0.94 -0.33 0.00 -0.05 0.00 0.00 57.45 57.96 1wac n PHE 156 Cb 0.72 -4.87 -0.06 0.00 -0.94 0.00 0.00 39.48 34.34 1wac n PHE 156 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1wac s SER 157 N -3.61 6.73 0.00 4.37 0.15 -1.26 -4.65 113.70 115.43 1wac s SER 157 Ca 0.39 1.11 0.10 0.00 0.70 0.00 0.00 55.95 58.24 1wac s SER 157 Cb -0.17 -2.30 -0.05 0.00 -1.71 0.00 0.00 66.02 61.79 1wac s SER 157 CO 0.69 -0.09 0.52 0.59 1.20 0.00 0.00 173.24 176.15 1wac n ASN 158 N -0.04 0.84 -4.64 5.45 4.13 -1.26 -1.70 115.26 118.04 1wac n ASN 158 Ca 0.01 -0.92 -0.43 0.00 1.68 0.00 0.00 54.58 54.91 1wac n ASN 158 Cb 0.52 0.72 -0.02 0.00 -1.54 0.00 0.00 39.78 39.46 1wac n ASN 158 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1wac s ASP 159 N -1.59 6.88 0.22 6.41 -1.08 -1.26 -4.12 116.67 122.13 1wac s ASP 159 Ca 0.06 1.30 -0.08 0.00 -0.52 0.00 0.00 52.55 53.30 1wac s ASP 159 Cb 0.07 -2.54 0.28 0.00 -1.46 0.00 0.00 42.92 39.28 1wac s ASP 159 CO 0.31 -0.88 1.80 -0.03 0.52 0.00 0.00 175.17 176.89 1wac h MET 160 N 8.38 0.66 -0.71 4.34 1.85 -1.94 0.30 114.93 127.82 1wac h MET 160 Ca -0.23 -0.04 0.04 0.00 -0.61 0.00 0.00 59.70 58.85 1wac h MET 160 Cb 1.08 -0.15 -0.05 0.00 0.43 0.00 0.00 31.60 32.92 1wac h MET 160 CO 1.01 0.44 0.44 0.78 -0.40 0.00 0.00 176.91 179.18 1wac h GLY 161 N 0.68 1.03 0.75 1.39 0.00 -1.99 0.27 103.07 105.20 1wac h GLY 161 Ca 0.32 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1wac h GLY 161 CO -0.21 0.26 0.00 -0.84 0.00 0.00 0.00 176.54 175.76 1wac h THR 162 N 0.84 1.24 -0.94 4.70 2.02 -1.68 -2.53 112.91 116.57 1wac h THR 162 Ca 0.29 -0.76 0.19 0.00 0.77 0.00 0.00 66.41 66.89 1wac h THR 162 Cb 0.05 1.60 -0.08 0.00 -1.74 0.00 0.00 68.15 67.98 1wac h THR 162 CO -0.12 0.21 0.60 0.11 0.37 0.00 0.00 175.52 176.70 1wac h LYS 163 N -0.13 0.57 -0.17 6.66 1.57 0.34 0.13 116.57 125.54 1wac h LYS 163 Ca 0.02 -0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 1wac h LYS 163 Cb 0.33 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1wac h LYS 163 CO 0.00 0.38 -0.39 0.82 -0.57 0.00 0.00 179.45 179.69 1wac h ILE 164 N 0.59 1.30 0.19 1.86 1.08 -0.10 -0.45 117.51 121.98 1wac h ILE 164 Ca 0.50 -1.51 -0.01 0.00 -0.39 0.00 0.00 64.86 63.45 1wac h ILE 164 Cb 0.99 1.60 0.00 0.00 -3.07 0.00 0.00 36.82 36.34 1wac h ILE 164 CO -0.25 0.46 -0.09 -0.33 -0.69 0.00 0.00 178.15 177.26 1wac h GLU 165 N 0.32 -0.24 -0.55 2.37 5.08 -0.46 -0.28 114.58 120.83 1wac h GLU 165 Ca 0.03 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1wac h GLU 165 Cb 0.83 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 30.04 1wac h GLU 165 CO 0.07 -0.16 -0.18 -0.89 -1.00 0.00 0.00 179.01 176.85 1wac n ILE 166 N -3.07 -0.26 0.24 3.13 5.41 -0.03 0.55 119.36 125.33 1wac n ILE 166 Ca -0.03 1.27 -0.15 0.00 1.00 0.00 0.00 62.75 64.84 1wac n ILE 166 Cb 0.10 -1.71 -0.08 0.00 -0.71 0.00 0.00 39.64 37.23 1wac n ILE 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wac h ALA 167 N 0.92 -0.61 -0.42 -1.39 0.00 -1.05 -0.31 119.26 116.40 1wac h ALA 167 Ca 0.23 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1wac h ALA 167 Cb 0.36 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1wac h ALA 167 CO -0.55 -0.73 0.10 0.93 0.00 0.00 0.00 179.25 178.99 1wac h GLU 168 N -0.82 0.23 -0.57 0.00 5.08 0.20 -0.42 114.58 118.28 1wac h GLU 168 Ca -0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1wac h GLU 168 Cb 0.56 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1wac h GLU 168 CO 0.10 0.15 0.33 -0.09 -1.00 0.00 0.00 179.01 178.50 1wac h ARG 169 N 0.24 0.78 -0.66 2.33 9.65 -0.35 -2.08 114.38 124.30 1wac h ARG 169 Ca 0.20 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1wac h ARG 169 Cb 0.24 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 1wac h ARG 169 CO -0.25 0.56 0.43 0.00 2.80 0.00 0.00 179.97 183.51 1wac h ALA 170 N 1.57 0.83 0.00 2.80 0.00 0.62 -0.35 119.26 124.73 1wac h ALA 170 Ca 0.21 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1wac h ALA 170 Cb -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1wac h ALA 170 CO -0.04 0.25 -0.45 -0.07 0.00 0.00 0.00 179.25 178.95 1wac h LEU 171 N 0.88 0.00 -0.16 0.00 3.38 -0.73 0.40 115.31 119.08 1wac h LEU 171 Ca 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1wac h LEU 171 Cb -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1wac h LEU 171 CO -0.06 0.45 0.08 -0.33 0.09 0.00 0.00 178.44 178.67 1wac h GLU 172 N 0.00 0.23 -0.50 1.13 5.08 -0.58 -3.24 114.58 116.70 1wac h GLU 172 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1wac h GLU 172 Cb 0.79 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1wac h GLU 172 CO 0.06 0.26 0.00 1.63 -1.00 0.00 0.00 179.01 179.96 1wac n LYS 173 N -4.91 2.58 0.17 2.33 4.01 -0.28 -4.59 118.16 117.48 1wac n LYS 173 Ca -0.04 -2.42 -0.16 0.00 -0.51 0.00 0.00 58.31 55.19 1wac n LYS 173 Cb 0.09 -1.53 -0.08 0.00 -0.51 0.00 0.00 35.03 32.99 1wac n LYS 173 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1wac h ALA 174 N 4.44 -0.86 -0.73 7.82 0.00 -0.24 -1.36 119.26 128.32 1wac h ALA 174 Ca 0.00 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.95 1wac h ALA 174 Cb 0.99 0.71 -0.11 0.00 0.00 0.00 0.00 17.79 19.39 1wac h ALA 174 CO 0.00 -1.04 0.20 1.49 0.00 0.00 0.00 179.25 179.89 1wac h GLU 175 N -0.75 0.29 -0.25 0.00 4.81 -1.81 0.03 114.58 116.90 1wac h GLU 175 Ca -0.01 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1wac h GLU 175 Cb 0.73 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1wac h GLU 175 CO -0.19 0.19 -0.14 1.49 -0.73 0.00 0.00 179.01 179.63 1wac h GLU 176 N 0.30 0.42 -0.14 1.92 4.81 -1.77 -1.57 114.58 118.55 1wac h GLU 176 Ca 0.41 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 59.38 1wac h GLU 176 Cb 0.68 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1wac h GLU 176 CO -0.48 0.56 -0.45 0.00 -0.73 0.00 0.00 179.01 177.90 1wac h ALA 177 N 1.47 0.24 -0.29 2.92 0.00 0.07 -1.35 119.26 122.32 1wac h ALA 177 Ca 0.07 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1wac h ALA 177 Cb 0.48 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1wac h ALA 177 CO 0.03 0.38 0.10 0.78 0.00 0.00 0.00 179.25 180.55 1wac h GLY 178 N 0.17 0.36 1.00 0.00 0.00 -0.92 0.20 103.07 103.89 1wac h GLY 178 Ca -0.02 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1wac h GLY 178 CO 0.10 0.04 0.39 3.43 0.00 0.00 0.00 176.54 180.50 1wac h ASN 179 N 0.24 0.68 -0.88 0.19 2.35 -1.29 0.88 115.58 117.75 1wac h ASN 179 Ca 0.13 -0.02 0.14 0.00 -0.55 0.00 0.00 56.30 56.00 1wac h ASN 179 Cb 0.09 -0.17 -0.09 0.00 0.05 0.00 0.00 38.32 38.20 1wac h ASN 179 CO -0.12 0.49 0.48 -0.07 -1.65 0.00 0.00 177.43 176.56 1wac h LEU 180 N 0.80 0.61 -0.44 1.61 3.38 -0.40 -0.37 115.31 120.50 1wac h LEU 180 Ca 0.22 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 1wac h LEU 180 Cb -0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1wac h LEU 180 CO -0.05 0.27 -0.09 0.24 0.09 0.00 0.00 178.44 178.91 1wac h MET 181 N 0.70 0.84 -0.74 1.13 2.86 0.26 0.41 114.93 120.39 1wac h MET 181 Ca 0.47 -0.31 0.09 0.00 -2.06 0.00 0.00 59.70 57.88 1wac h MET 181 Cb 0.63 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 32.19 1wac h MET 181 CO -0.34 0.94 0.48 -0.07 1.06 0.00 0.00 176.91 178.99 1wac h LEU 182 N 0.67 0.61 -0.00 1.22 3.38 0.22 0.70 115.31 122.11 1wac h LEU 182 Ca 0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1wac h LEU 182 Cb 0.62 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1wac h LEU 182 CO 0.04 0.37 -0.03 0.00 0.09 0.00 0.00 178.44 178.92 1wac n GLN 183 N -4.49 0.05 -0.44 1.13 6.02 -0.46 -4.89 117.38 114.30 1wac n GLN 183 Ca 0.12 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1wac n GLN 183 Cb 0.30 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.06 1wac n GLN 183 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wac n GLY 184 N 1.47 0.78 2.34 1.08 0.00 0.24 -4.97 105.19 106.14 1wac n GLY 184 Ca 0.08 -0.05 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1wac n GLY 184 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wac n LYS 185 N -2.44 3.85 0.42 1.61 4.01 0.14 -4.72 118.16 121.04 1wac n LYS 185 Ca 0.00 -2.46 -0.18 0.00 -0.51 0.00 0.00 58.31 55.16 1wac n LYS 185 Cb 0.00 -2.73 -0.09 0.00 -0.51 0.00 0.00 35.03 31.71 1wac n LYS 185 CO 0.00 0.00 0.00 0.74 -1.11 0.00 0.00 177.40 177.03 1wac h PHE 186 N 4.81 -1.14 -1.15 2.13 -1.00 -1.78 0.11 116.94 118.91 1wac h PHE 186 Ca 0.81 -0.02 0.33 0.00 2.81 0.00 0.00 57.97 61.90 1wac h PHE 186 Cb 0.33 0.40 -0.10 0.00 3.61 0.00 0.00 35.95 40.19 1wac h PHE 186 CO 1.81 -0.67 0.75 -0.44 -1.61 0.00 0.00 178.31 178.16 1wac h ASP 187 N -1.13 0.33 -0.10 2.17 3.32 -1.82 0.25 116.42 119.45 1wac h ASP 187 Ca -0.11 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1wac h ASP 187 Cb 0.88 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 1wac h ASP 187 CO 0.14 -0.01 -0.04 0.44 -1.72 0.00 0.00 179.24 178.06 1wac h ASP 188 N 0.25 0.20 -0.67 6.45 3.45 -1.76 0.16 116.42 124.50 1wac h ASP 188 Ca 0.67 -0.39 -0.01 0.00 0.43 0.00 0.00 57.03 57.72 1wac h ASP 188 Cb 1.95 -0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 40.63 1wac h ASP 188 CO -0.30 0.55 0.38 0.00 -1.57 0.00 0.00 179.24 178.29 1wac h ALA 189 N 0.66 1.37 0.36 3.45 0.00 0.13 0.23 119.26 125.46 1wac h ALA 189 Ca 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1wac h ALA 189 Cb 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1wac h ALA 189 CO 0.01 0.52 -0.17 -0.92 0.00 0.00 0.00 179.25 178.69 1wac h TYR 190 N 0.95 -0.45 -0.65 0.00 3.20 -0.52 -1.31 116.97 118.20 1wac h TYR 190 Ca 0.24 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.18 1wac h TYR 190 Cb 0.02 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 1wac h TYR 190 CO 0.01 -0.15 0.43 1.96 -1.64 0.00 0.00 178.16 178.77 1wac h GLN 191 N -1.02 0.59 0.02 1.82 4.20 -0.59 1.38 115.11 121.51 1wac h GLN 191 Ca -0.05 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 1wac h GLN 191 Cb 0.50 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 28.15 1wac h GLN 191 CO 0.08 0.39 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.34 1wac h LEU 192 N 0.61 0.17 -2.61 1.46 3.38 -1.00 -3.40 115.31 113.92 1wac h LEU 192 Ca 0.29 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1wac h LEU 192 Cb 0.34 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1wac h LEU 192 CO -0.09 1.00 -0.19 1.41 0.09 0.00 0.00 178.44 180.66 1wac n HIS 193 N -4.51 0.00 -1.83 1.13 8.25 -0.50 -4.99 115.22 112.76 1wac n HIS 193 Ca -0.10 -0.61 -0.14 0.00 -0.26 0.00 0.00 57.72 56.61 1wac n HIS 193 Cb 0.52 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.48 1wac n HIS 193 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1wac n GLN 194 N -0.87 -1.64 -3.32 -0.41 3.00 0.47 -4.81 117.38 109.81 1wac n GLN 194 Ca 0.10 0.79 -0.44 0.00 -0.01 0.00 0.00 57.00 57.44 1wac n GLN 194 Cb 0.66 -5.20 -0.08 0.00 0.00 0.00 0.00 30.24 25.62 1wac n GLN 194 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1wac s MET 195 N -3.96 3.05 0.00 -1.09 -1.94 -1.17 -4.28 119.30 109.90 1wac s MET 195 Ca 0.00 -1.03 0.00 0.00 -1.71 0.00 0.00 55.69 52.95 1wac s MET 195 Cb 0.00 -4.06 0.00 0.00 2.01 0.00 0.00 34.83 32.78 1wac s MET 195 CO 0.00 -0.99 0.00 0.41 -0.01 0.00 0.00 175.02 174.43 1wac n GLY 196 N 5.16 0.52 2.88 -0.03 0.00 -1.26 -3.13 105.19 109.34 1wac n GLY 196 Ca -0.09 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1wac n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wac n GLY 197 N 0.00 1.29 3.82 -0.02 0.00 -1.26 -4.82 105.19 104.21 1wac n GLY 197 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 1wac n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wac s ALA 198 N -1.71 -0.90 0.14 4.61 0.00 -1.26 -4.13 121.76 118.50 1wac s ALA 198 Ca 0.00 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1wac s ALA 198 Cb 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1wac s ALA 198 CO 0.00 -1.00 0.22 0.71 0.00 0.00 0.00 175.76 175.69 1wac s TYR 199 N -2.64 3.38 -0.34 0.00 2.02 0.21 -4.28 117.35 115.71 1wac s TYR 199 Ca 0.15 0.10 -0.06 0.00 -0.37 0.00 0.00 57.07 56.89 1wac s TYR 199 Cb -0.05 -1.63 0.05 0.00 -0.40 0.00 0.00 41.96 39.92 1wac s TYR 199 CO 0.10 0.53 0.09 -0.47 -1.57 0.00 0.00 175.55 174.23 1wac s TYR 200 N -1.69 3.27 0.24 2.71 5.04 -0.30 0.50 117.35 127.12 1wac s TYR 200 Ca 0.33 -1.55 -0.30 0.00 -2.44 0.00 0.00 57.07 53.12 1wac s TYR 200 Cb -0.11 -2.31 -0.09 0.00 0.35 0.00 0.00 41.96 39.80 1wac s TYR 200 CO 0.27 -0.76 1.23 0.08 -1.34 0.00 0.00 175.55 175.03 1wac s VAL 201 N 1.37 3.26 -0.03 3.14 1.01 -0.57 -1.45 120.40 127.13 1wac s VAL 201 Ca -0.02 1.13 -0.02 0.00 0.00 0.00 0.00 61.98 63.08 1wac s VAL 201 Cb -0.20 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.47 1wac s VAL 201 CO 0.02 0.22 0.06 0.68 0.00 0.00 0.00 175.10 176.08 1wac s VAL 202 N -0.46 -0.01 -0.51 2.92 -7.23 0.82 -4.09 120.40 111.84 1wac s VAL 202 Ca 0.51 0.02 -0.17 0.00 -1.81 0.00 0.00 61.98 60.54 1wac s VAL 202 Cb -0.35 -0.10 0.09 0.00 0.56 0.00 0.00 36.38 36.58 1wac s VAL 202 CO 0.41 0.01 0.51 -0.31 -0.31 0.00 0.00 175.10 175.41 1wac s TYR 203 N 0.16 3.18 0.62 2.82 2.02 -1.26 0.33 117.35 125.22 1wac s TYR 203 Ca -0.01 -0.97 -0.09 0.00 -0.37 0.00 0.00 57.07 55.63 1wac s TYR 203 Cb -0.02 -3.52 -0.02 0.00 -0.40 0.00 0.00 41.96 38.01 1wac s TYR 203 CO -0.00 -0.97 0.99 1.03 -1.57 0.00 0.00 175.55 175.03 1wac s ARG 204 N 1.94 3.26 0.17 -0.62 0.52 0.62 -4.80 118.95 120.04 1wac s ARG 204 Ca 0.07 0.46 -0.00 0.00 -0.52 0.00 0.00 55.73 55.74 1wac s ARG 204 Cb -0.25 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.04 1wac s ARG 204 CO 0.06 -0.68 0.35 0.00 0.02 0.00 0.00 175.30 175.05 1wac s ALA 205 N -3.14 3.88 -0.56 2.13 0.00 -1.26 0.17 121.76 122.98 1wac s ALA 205 Ca 0.55 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.71 1wac s ALA 205 Cb -0.11 -1.94 0.22 0.00 0.00 0.00 0.00 23.12 21.30 1wac s ALA 205 CO 0.51 0.52 0.59 1.04 0.00 0.00 0.00 175.76 178.41 1wac n GLN 206 N -0.48 1.62 0.00 0.00 1.13 0.16 -4.83 117.38 114.97 1wac n GLN 206 Ca -0.05 -4.07 0.00 0.00 -1.94 0.00 0.00 57.00 50.94 1wac n GLN 206 Cb 0.53 -1.91 0.00 0.00 0.11 0.00 0.00 30.24 28.97 1wac n GLN 206 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1wac n SER 207 N 1.47 0.00 -3.46 1.08 3.41 -1.26 -3.30 113.62 111.55 1wac n SER 207 Ca 0.26 0.33 -0.23 0.00 -0.26 0.00 0.00 58.87 58.97 1wac n SER 207 Cb 0.44 -0.33 -0.12 0.00 -0.26 0.00 0.00 64.21 63.94 1wac n SER 207 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1wac s THR 208 N -2.65 -0.22 0.30 6.66 -4.23 -1.26 -4.56 115.64 109.68 1wac s THR 208 Ca 0.00 -0.75 0.11 0.00 -1.18 0.00 0.00 61.69 59.87 1wac s THR 208 Cb 0.00 -0.97 -0.05 0.00 1.34 0.00 0.00 72.50 72.82 1wac s THR 208 CO 0.00 -0.63 -0.12 -0.62 -0.54 0.00 0.00 174.62 172.71 1wac s ASP 209 N 2.07 3.81 0.13 3.99 2.15 -1.25 -5.04 116.67 122.53 1wac s ASP 209 Ca 0.11 -1.02 -0.35 0.00 0.43 0.00 0.00 52.55 51.72 1wac s ASP 209 Cb -0.16 -0.41 -0.14 0.00 -0.30 0.00 0.00 42.92 41.91 1wac s ASP 209 CO -0.29 -0.06 1.54 0.00 -0.17 0.00 0.00 175.17 176.19 1wac n ALA 210 N -0.74 0.79 -2.78 3.66 0.00 -1.26 -4.66 120.51 115.51 1wac n ALA 210 Ca -0.05 0.45 -0.18 0.00 0.00 0.00 0.00 53.44 53.66 1wac n ALA 210 Cb 0.61 -2.29 -0.15 0.00 0.00 0.00 0.00 19.45 17.62 1wac n ALA 210 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1wac s ILE 211 N 1.00 0.64 0.07 0.00 1.01 -1.26 -0.62 121.20 122.04 1wac s ILE 211 Ca 0.81 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 61.14 1wac s ILE 211 Cb -0.75 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 1wac s ILE 211 CO 0.41 0.19 -0.07 0.42 0.00 0.00 0.00 174.94 175.89 1wac s THR 212 N -0.09 0.58 -0.18 2.92 -4.23 0.16 -4.75 115.64 110.04 1wac s THR 212 Ca 0.02 -1.57 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1wac s THR 212 Cb -0.04 -1.22 -0.02 0.00 1.34 0.00 0.00 72.50 72.55 1wac s THR 212 CO -0.00 -0.69 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.14 1wac s LEU 213 N -2.44 3.18 -0.40 4.79 2.96 -1.26 0.85 118.68 126.35 1wac s LEU 213 Ca 0.02 -0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.44 1wac s LEU 213 Cb -0.01 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1wac s LEU 213 CO -0.03 0.10 1.43 -0.62 -1.32 0.00 0.00 176.35 175.91 1wac s ASP 214 N 0.79 6.32 0.47 3.68 -1.08 -0.05 -4.85 116.67 121.95 1wac s ASP 214 Ca -0.01 0.88 0.26 0.00 -0.52 0.00 0.00 52.55 53.16 1wac s ASP 214 Cb -0.14 -2.54 1.30 0.00 -1.46 0.00 0.00 42.92 40.08 1wac s ASP 214 CO 0.02 -1.43 1.83 1.55 0.52 0.00 0.00 175.17 177.65 1wac h PRO 215 N 10.77 0.20 0.20 4.34 0.13 -1.95 1.20 132.00 146.90 1wac h PRO 215 Ca -0.28 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1wac h PRO 215 Cb 1.11 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1wac h PRO 215 CO 1.08 0.13 -0.09 0.87 -0.23 0.00 0.00 178.00 179.76 1wac h LYS 216 N 0.20 -0.26 0.00 0.86 1.57 -1.96 -3.37 116.57 113.62 1wac h LYS 216 Ca 0.52 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1wac h LYS 216 Cb 1.65 0.06 0.00 0.00 0.08 0.00 0.00 32.23 34.02 1wac h LYS 216 CO -0.13 0.03 -0.74 0.25 -0.57 0.00 0.00 179.45 178.29 1wac n THR 217 N -4.94 0.20 -0.35 -0.16 -2.24 -0.99 -4.94 114.28 100.85 1wac n THR 217 Ca -0.06 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1wac n THR 217 Cb 0.20 0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1wac n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wac n GLY 218 N 1.39 1.47 3.77 3.38 0.00 0.41 -4.96 105.19 110.65 1wac n GLY 218 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 1wac n GLY 218 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wac s LYS 219 N -0.13 4.19 0.45 1.61 -0.14 -1.25 -4.73 119.74 119.73 1wac s LYS 219 Ca 0.00 1.72 -0.04 0.00 -1.36 0.00 0.00 55.97 56.30 1wac s LYS 219 Cb 0.00 -2.71 -0.03 0.00 -1.68 0.00 0.00 37.83 33.40 1wac s LYS 219 CO 0.00 -0.17 0.72 -0.06 -0.76 0.00 0.00 175.35 175.08 1wac s PHE 220 N -1.45 3.54 -0.09 3.18 0.08 -1.26 -0.87 117.98 121.10 1wac s PHE 220 Ca 0.55 0.68 -0.05 0.00 0.12 0.00 0.00 56.93 58.24 1wac s PHE 220 Cb -0.28 -2.20 0.04 0.00 -0.57 0.00 0.00 43.02 40.01 1wac s PHE 220 CO 0.35 -0.18 0.21 0.08 -0.10 0.00 0.00 175.22 175.58 1wac s VAL 221 N -2.63 -0.04 0.08 -0.44 1.01 0.25 -4.88 120.40 113.75 1wac s VAL 221 Ca 0.46 0.15 -0.02 0.00 0.00 0.00 0.00 61.98 62.57 1wac s VAL 221 Cb -0.10 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 1wac s VAL 221 CO 0.43 0.06 0.26 -0.94 0.00 0.00 0.00 175.10 174.91 1wac s SER 222 N 1.15 6.40 0.24 3.32 1.04 -1.26 0.37 113.70 124.96 1wac s SER 222 Ca -0.09 0.37 -0.31 0.00 0.48 0.00 0.00 55.95 56.41 1wac s SER 222 Cb -0.10 -2.00 -0.11 0.00 0.10 0.00 0.00 66.02 63.91 1wac s SER 222 CO -0.07 0.14 1.57 -0.75 0.98 0.00 0.00 173.24 175.10 1wac s LYS 223 N -2.53 4.18 -0.02 4.02 2.20 0.20 -4.96 119.74 122.84 1wac s LYS 223 Ca 0.37 2.47 -0.29 0.00 -0.36 0.00 0.00 55.97 58.16 1wac s LYS 223 Cb -0.13 -3.08 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 1wac s LYS 223 CO 0.27 -0.59 0.94 -0.51 -0.36 0.00 0.00 175.35 175.09 1wac s ASP 224 N 0.68 7.30 -0.31 1.43 1.11 -1.26 -4.97 116.67 120.64 1wac s ASP 224 Ca 0.65 1.57 -0.04 0.00 0.18 0.00 0.00 52.55 54.91 1wac s ASP 224 Cb -0.46 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.03 1wac s ASP 224 CO 0.41 -0.25 0.05 -0.13 1.18 0.00 0.00 175.17 176.43 1wac s ARG 225 N 1.04 2.62 0.43 8.23 1.81 -1.26 -5.02 118.95 126.80 1wac s ARG 225 Ca 0.49 -1.15 -0.25 0.00 -1.72 0.00 0.00 55.73 53.10 1wac s ARG 225 Cb -0.20 -3.30 -0.08 0.00 -0.45 0.00 0.00 34.95 30.91 1wac s ARG 225 CO 0.26 -0.60 1.31 -1.64 -0.68 0.00 0.00 175.30 173.95 1wac s MET 226 N 1.35 3.84 -0.02 3.54 -1.94 -1.26 -1.94 119.30 122.87 1wac s MET 226 Ca -0.02 2.17 -0.02 0.00 -1.71 0.00 0.00 55.69 56.10 1wac s MET 226 Cb -0.19 -2.67 0.00 0.00 2.01 0.00 0.00 34.83 33.98 1wac s MET 226 CO 0.01 -0.60 0.05 0.14 -0.01 0.00 0.00 175.02 174.61 1wac s VAL 227 N -1.28 0.02 0.14 -6.03 -7.23 0.25 -4.86 120.40 101.40 1wac s VAL 227 Ca 0.59 -0.16 -0.18 0.00 -1.81 0.00 0.00 61.98 60.42 1wac s VAL 227 Cb -0.38 -0.14 -0.07 0.00 0.56 0.00 0.00 36.38 36.35 1wac s VAL 227 CO 0.49 -0.09 0.61 0.00 -0.31 0.00 0.00 175.10 175.79 1wac s ALA 228 N -0.25 3.54 0.61 1.32 0.00 -1.26 -1.89 121.76 123.83 1wac s ALA 228 Ca -0.03 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.96 1wac s ALA 228 Cb -0.02 -2.65 0.07 0.00 0.00 0.00 0.00 23.12 20.52 1wac s ALA 228 CO 0.00 0.40 0.85 0.16 0.00 0.00 0.00 175.76 177.17 1wac s ASP 229 N -1.48 4.94 0.15 0.00 3.84 -0.87 -0.96 116.67 122.30 1wac s ASP 229 Ca 0.36 -0.24 -0.26 0.00 -0.00 0.00 0.00 52.55 52.41 1wac s ASP 229 Cb -0.17 -0.44 -0.00 0.00 -1.38 0.00 0.00 42.92 40.92 1wac s ASP 229 CO 0.20 -1.40 1.59 0.15 -0.00 0.00 0.00 175.17 175.70 1wac h PHE 230 N -0.11 -1.10 -0.25 2.11 3.04 -1.93 0.15 116.94 118.84 1wac h PHE 230 Ca -0.39 0.06 0.06 0.00 3.98 0.00 0.00 57.97 61.68 1wac h PHE 230 Cb 1.28 0.53 -0.08 0.00 2.56 0.00 0.00 35.95 40.24 1wac h PHE 230 CO 0.18 -0.43 -0.35 0.93 -2.02 0.00 0.00 178.31 176.61 1wac h GLU 231 N -0.36 -0.34 -1.00 1.11 4.39 -1.93 0.28 114.58 116.72 1wac h GLU 231 Ca 0.12 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.97 1wac h GLU 231 Cb 0.58 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.22 1wac h GLU 231 CO -0.49 -0.23 0.63 -0.92 -1.16 0.00 0.00 179.01 176.85 1wac h TYR 232 N -0.36 1.14 -0.18 4.33 3.20 -1.46 -2.18 116.97 121.47 1wac h TYR 232 Ca 0.12 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 1wac h TYR 232 Cb 0.56 -0.36 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 1wac h TYR 232 CO -0.49 0.45 -0.23 0.00 -1.64 0.00 0.00 178.16 176.25 1wac h ALA 233 N 1.54 0.27 0.00 1.82 0.00 0.17 0.18 119.26 123.24 1wac h ALA 233 Ca 0.50 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1wac h ALA 233 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1wac h ALA 233 CO -0.26 0.23 0.00 1.33 0.00 0.00 0.00 179.25 180.54 1wac n VAL 234 N -4.43 0.19 -0.12 0.00 0.24 0.76 -1.87 118.33 113.10 1wac n VAL 234 Ca -0.06 0.05 0.02 0.00 -2.04 0.00 0.00 64.34 62.31 1wac n VAL 234 Cb 0.42 -0.68 0.03 0.00 -1.47 0.00 0.00 33.84 32.15 1wac n VAL 234 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1wac n THR 235 N -1.18 1.09 -1.94 3.34 -2.24 -0.86 -0.65 114.28 111.85 1wac n THR 235 Ca 0.13 -1.11 -0.21 0.00 -2.27 0.00 0.00 64.05 60.59 1wac n THR 235 Cb 0.14 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 68.75 1wac n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wac n GLY 236 N -0.46 0.92 1.23 3.38 0.00 -1.03 -2.15 105.19 107.09 1wac n GLY 236 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1wac n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wac n GLY 237 N -0.69 0.70 0.15 -0.02 0.00 0.60 -4.50 105.19 101.43 1wac n GLY 237 Ca -0.22 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.83 1wac n GLY 237 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wac h GLU 238 N 2.24 0.00 0.00 1.61 5.08 -1.69 -3.46 114.58 118.36 1wac h GLU 238 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1wac h GLU 238 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1wac h GLU 238 CO 0.00 0.47 -0.15 1.04 -1.00 0.00 0.00 179.01 179.38 1wac n GLN 239 N -3.25 0.41 -0.06 2.33 6.02 -1.26 -5.11 117.38 116.45 1wac n GLN 239 Ca 0.02 -1.06 0.01 0.00 -0.01 0.00 0.00 57.00 55.95 1wac n GLN 239 Cb 0.70 0.75 -0.00 0.00 1.02 0.00 0.00 30.24 32.71 1wac n GLN 239 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wac n GLY 240 N 0.42 -1.91 3.27 1.08 0.00 -1.26 -3.28 105.19 103.51 1wac n GLY 240 Ca 0.01 -1.35 -0.19 0.00 0.00 0.00 0.00 46.02 44.48 1wac n GLY 240 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wac s SER 241 N -3.84 2.22 -0.24 1.61 1.04 -1.26 -4.72 113.70 108.51 1wac s SER 241 Ca 0.00 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1wac s SER 241 Cb 0.00 -0.10 0.06 0.00 0.10 0.00 0.00 66.02 66.09 1wac s SER 241 CO 0.00 -0.10 -0.02 -0.22 0.98 0.00 0.00 173.24 173.88 1wac s LEU 242 N -2.46 2.40 0.31 2.42 2.96 -1.26 -2.04 118.68 121.02 1wac s LEU 242 Ca 0.10 -1.19 0.04 0.00 -0.22 0.00 0.00 54.13 52.86 1wac s LEU 242 Cb -0.06 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.52 1wac s LEU 242 CO 0.04 -0.27 0.17 0.72 -1.32 0.00 0.00 176.35 175.69 1wac s PHE 243 N 1.47 1.62 -0.03 5.38 -0.71 -0.79 -4.87 117.98 120.05 1wac s PHE 243 Ca -0.03 -1.39 -0.26 0.00 -1.04 0.00 0.00 56.93 54.21 1wac s PHE 243 Cb -0.18 -0.87 -0.04 0.00 -1.21 0.00 0.00 43.02 40.72 1wac s PHE 243 CO -0.08 -0.53 0.80 0.00 -1.34 0.00 0.00 175.22 174.07 1wac s ALA 244 N -3.57 3.28 1.12 1.99 0.00 -1.26 0.84 121.76 124.16 1wac s ALA 244 Ca 0.35 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.45 1wac s ALA 244 Cb 0.05 -3.09 0.25 0.00 0.00 0.00 0.00 23.12 20.32 1wac s ALA 244 CO 0.18 -0.14 1.08 0.00 0.00 0.00 0.00 175.76 176.88 1wac s ALA 245 N 0.81 0.50 -0.24 0.00 0.00 -0.82 -4.91 121.76 117.10 1wac s ALA 245 Ca 0.43 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.80 1wac s ALA 245 Cb -0.19 -3.04 0.02 0.00 0.00 0.00 0.00 23.12 19.90 1wac s ALA 245 CO 0.22 -3.36 -0.06 0.45 0.00 0.00 0.00 175.76 173.01 1wac s SER 246 N -3.45 4.28 0.00 0.00 0.15 0.25 -4.70 113.70 110.23 1wac s SER 246 Ca 0.68 -0.76 0.11 0.00 0.70 0.00 0.00 55.95 56.68 1wac s SER 246 Cb -0.16 -1.68 0.31 0.00 -1.71 0.00 0.00 66.02 62.78 1wac s SER 246 CO 0.58 -0.10 1.26 0.29 1.20 0.00 0.00 173.24 176.47 1wac n LYS 247 N 4.70 1.77 -2.04 5.44 5.02 -1.26 -2.47 118.16 129.32 1wac n LYS 247 Ca -0.17 -1.19 -0.42 0.00 -2.02 0.00 0.00 58.31 54.51 1wac n LYS 247 Cb 0.48 -1.26 -0.03 0.00 -0.02 0.00 0.00 35.03 34.20 1wac n LYS 247 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1wac s ASP 248 N -1.02 6.70 -0.03 4.39 2.15 -1.26 -0.22 116.67 127.37 1wac s ASP 248 Ca 0.23 2.43 0.18 0.00 0.43 0.00 0.00 52.55 55.82 1wac s ASP 248 Cb 0.12 -2.58 0.57 0.00 -0.30 0.00 0.00 42.92 40.73 1wac s ASP 248 CO 0.16 -0.77 1.48 0.00 -0.17 0.00 0.00 175.17 175.86 1wac n ALA 249 N 4.57 2.50 -0.27 3.66 0.00 -1.26 -4.46 120.51 125.24 1wac n ALA 249 Ca 0.14 -1.37 -0.04 0.00 0.00 0.00 0.00 53.44 52.16 1wac n ALA 249 Cb 0.41 -0.80 0.07 0.00 0.00 0.00 0.00 19.45 19.13 1wac n ALA 249 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1wac h SER 250 N 3.55 0.83 -0.64 0.00 0.02 -1.90 -1.50 113.55 113.90 1wac h SER 250 Ca 0.00 -0.01 0.19 0.00 -0.84 0.00 0.00 61.79 61.12 1wac h SER 250 Cb 1.04 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 1wac h SER 250 CO 0.06 0.59 0.83 0.08 -1.14 0.00 0.00 176.83 177.25 1wac h ARG 251 N 0.98 0.00 0.00 3.45 0.11 -1.99 -1.46 114.38 115.48 1wac h ARG 251 Ca 0.28 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.32 1wac h ARG 251 Cb -0.07 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.00 1wac h ARG 251 CO -0.08 0.00 -0.23 -0.07 0.10 0.00 0.00 179.97 179.69 1wac h LEU 252 N 0.00 0.00 0.27 0.08 3.38 -1.58 0.15 115.31 117.61 1wac h LEU 252 Ca 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1wac h LEU 252 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1wac h LEU 252 CO -0.00 0.23 -0.13 0.50 0.09 0.00 0.00 178.44 179.12 1wac h LYS 253 N 0.00 -0.35 0.00 1.13 1.63 -1.06 0.03 116.57 117.94 1wac h LYS 253 Ca -0.00 0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1wac h LYS 253 Cb 0.43 0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1wac h LYS 253 CO 0.03 -0.00 -0.08 1.49 -3.45 0.00 0.00 179.45 177.44 1wac h GLU 254 N -0.90 0.00 0.00 1.90 4.81 -1.66 2.09 114.58 120.83 1wac h GLU 254 Ca -0.04 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.86 1wac h GLU 254 Cb 0.51 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1wac h GLU 254 CO 0.06 0.08 -2.26 1.04 -0.73 0.00 0.00 179.01 177.20 1wac n GLN 255 N -3.50 0.68 0.00 1.92 6.02 0.03 -4.60 117.38 117.93 1wac n GLN 255 Ca -0.02 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1wac n GLN 255 Cb 0.21 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.91 1wac n GLN 255 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1wac n TYR 256 N -2.75 0.00 -2.49 1.08 4.01 -0.09 -4.98 117.16 111.94 1wac n TYR 256 Ca -0.28 -0.04 -0.19 0.00 -0.16 0.00 0.00 57.90 57.23 1wac n TYR 256 Cb 1.10 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.12 1wac n TYR 256 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wac n GLY 257 N -0.04 -0.38 3.60 2.72 0.00 0.71 -4.95 105.19 106.85 1wac n GLY 257 Ca 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 1wac n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wac s ILE 258 N -2.96 5.11 -0.10 -0.61 1.01 -0.70 -4.91 121.20 118.04 1wac s ILE 258 Ca 0.07 0.61 -0.29 0.00 0.00 0.00 0.00 60.65 61.03 1wac s ILE 258 Cb -0.03 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 1wac s ILE 258 CO 0.08 0.05 1.62 -1.81 0.00 0.00 0.00 174.94 174.89 1wac s ASP 259 N 1.63 6.62 -0.35 3.58 1.11 -1.26 -2.74 116.67 125.27 1wac s ASP 259 Ca 0.18 2.06 -0.11 0.00 0.18 0.00 0.00 52.55 54.86 1wac s ASP 259 Cb -0.16 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 41.31 1wac s ASP 259 CO 0.10 -0.99 0.19 -0.69 1.18 0.00 0.00 175.17 174.96 1wac s VAL 260 N 4.29 4.64 0.54 -1.27 1.01 -1.26 -4.99 120.40 123.35 1wac s VAL 260 Ca 0.72 -0.63 -0.22 0.00 0.00 0.00 0.00 61.98 61.85 1wac s VAL 260 Cb -0.31 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1wac s VAL 260 CO 0.28 -0.09 1.31 -2.16 0.00 0.00 0.00 175.10 174.44 1wac s PRO 261 N 1.59 3.22 0.35 2.72 0.04 -1.26 -4.92 135.00 136.74 1wac s PRO 261 Ca 0.03 2.11 -0.26 0.00 0.04 0.00 0.00 61.00 62.92 1wac s PRO 261 Cb -0.18 -2.24 -0.12 0.00 0.04 0.00 0.00 34.50 31.99 1wac s PRO 261 CO 0.07 -1.09 1.04 -0.25 0.04 0.00 0.00 177.00 176.81 1wac n ASP 262 N -1.01 1.47 -0.94 6.66 9.92 -1.26 -2.71 116.55 128.68 1wac n ASP 262 Ca 0.10 1.12 -0.09 0.00 -0.53 0.00 0.00 54.79 55.40 1wac n ASP 262 Cb 0.46 -1.34 -0.01 0.00 -0.64 0.00 0.00 41.12 39.59 1wac n ASP 262 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wac n GLY 263 N 1.15 0.24 3.49 0.44 0.00 -1.26 -5.04 105.19 104.20 1wac n GLY 263 Ca 0.09 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1wac n GLY 263 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wac s PHE 264 N -2.42 2.54 0.17 1.61 0.40 -1.10 -4.85 117.98 114.33 1wac s PHE 264 Ca 0.00 -0.26 -0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1wac s PHE 264 Cb 0.00 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.13 1wac s PHE 264 CO 0.00 0.37 0.06 -0.06 0.70 0.00 0.00 175.22 176.29 1wac s PHE 265 N -1.12 1.07 0.42 0.36 0.40 -0.40 -4.35 117.98 114.36 1wac s PHE 265 Ca 0.18 -1.20 -0.22 0.00 -0.60 0.00 0.00 56.93 55.08 1wac s PHE 265 Cb -0.11 -0.59 -0.09 0.00 0.51 0.00 0.00 43.02 42.74 1wac s PHE 265 CO 0.10 -0.44 1.01 0.00 0.70 0.00 0.00 175.22 176.58 1wac s GLU 267 N -2.83 1.87 0.09 0.00 2.02 0.49 -4.57 118.70 115.76 1wac s GLU 267 Ca 0.61 1.30 -0.15 0.00 0.02 0.00 0.00 54.97 56.75 1wac s GLU 267 Cb -0.17 -1.84 -0.06 0.00 0.10 0.00 0.00 34.13 32.16 1wac s GLU 267 CO 0.21 -1.95 0.50 0.50 0.02 0.00 0.00 175.26 174.54 1wac s ARG 268 N -4.80 3.98 -0.13 1.61 3.52 -1.21 0.01 118.95 121.93 1wac s ARG 268 Ca 0.63 0.48 0.02 0.00 -0.13 0.00 0.00 55.73 56.74 1wac s ARG 268 Cb -0.19 -3.07 0.01 0.00 -1.56 0.00 0.00 34.95 30.13 1wac s ARG 268 CO 0.56 0.57 -0.21 1.03 -0.81 0.00 0.00 175.30 176.44 1wac s ARG 269 N -1.57 3.06 -0.02 5.12 0.52 -1.26 -0.67 118.95 124.13 1wac s ARG 269 Ca 0.32 -0.84 -0.14 0.00 -0.52 0.00 0.00 55.73 54.55 1wac s ARG 269 Cb -0.16 -2.44 -0.05 0.00 0.52 0.00 0.00 34.95 32.82 1wac s ARG 269 CO 0.18 0.04 0.37 1.03 0.02 0.00 0.00 175.30 176.93 1wac s ARG 270 N 0.70 3.86 -0.05 3.54 0.52 0.13 -4.77 118.95 122.88 1wac s ARG 270 Ca -0.09 0.33 -0.30 0.00 -0.52 0.00 0.00 55.73 55.15 1wac s ARG 270 Cb -0.16 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 1wac s ARG 270 CO 0.01 0.69 1.01 -0.08 0.02 0.00 0.00 175.30 176.95 1wac s THR 271 N -1.04 4.77 -0.01 0.02 -1.32 -1.26 -0.28 115.64 116.52 1wac s THR 271 Ca 0.22 2.01 0.05 0.00 -1.21 0.00 0.00 61.69 62.76 1wac s THR 271 Cb -0.16 -4.29 -0.01 0.00 -1.51 0.00 0.00 72.50 66.53 1wac s THR 271 CO 0.12 0.08 -0.17 0.00 -2.21 0.00 0.00 174.62 172.44 1wac s ALA 272 N 1.51 1.45 -0.26 11.08 0.00 0.15 -4.90 121.76 130.80 1wac s ALA 272 Ca 0.51 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1wac s ALA 272 Cb -0.20 -0.37 0.05 0.00 0.00 0.00 0.00 23.12 22.60 1wac s ALA 272 CO 0.23 0.35 -0.09 -1.64 0.00 0.00 0.00 175.76 174.62 1wac s MET 273 N -0.43 2.48 -0.07 0.00 -1.94 -1.26 -0.13 119.30 117.95 1wac s MET 273 Ca 0.07 -1.20 -0.25 0.00 -1.71 0.00 0.00 55.69 52.59 1wac s MET 273 Cb -0.07 -2.94 -0.03 0.00 2.01 0.00 0.00 34.83 33.81 1wac s MET 273 CO -0.01 -0.51 0.79 0.20 -0.01 0.00 0.00 175.02 175.48 1wac s GLY 274 N 1.20 2.57 0.66 -0.03 0.00 -0.53 0.23 107.32 111.43 1wac s GLY 274 Ca -0.05 0.20 -0.07 0.00 0.00 0.00 0.00 44.72 44.80 1wac s GLY 274 CO -0.05 1.39 0.99 -0.32 0.00 0.00 0.00 173.10 175.11 1wac s GLY 275 N 0.92 1.64 -0.72 0.20 0.00 -1.24 -1.15 107.32 106.97 1wac s GLY 275 Ca 0.41 -0.72 -0.26 0.00 0.00 0.00 0.00 44.72 44.14 1wac s GLY 275 CO 0.19 -0.37 1.23 2.56 0.00 0.00 0.00 173.10 176.71 1wac s PRO 276 N -5.18 3.20 0.27 2.90 0.04 -1.26 -4.42 135.00 130.56 1wac s PRO 276 Ca 0.57 -0.30 -0.09 0.00 0.04 0.00 0.00 61.00 61.23 1wac s PRO 276 Cb -0.11 -4.18 0.44 0.00 0.04 0.00 0.00 34.50 30.70 1wac s PRO 276 CO 0.46 -2.07 1.56 0.34 0.04 0.00 0.00 177.00 177.33 1wac n PHE 277 N 9.08 0.33 -0.32 0.56 7.35 -0.61 0.04 117.46 133.88 1wac n PHE 277 Ca 0.02 1.22 0.22 0.00 -0.76 0.00 0.00 57.45 58.15 1wac n PHE 277 Cb 0.48 -1.06 0.44 0.00 0.35 0.00 0.00 39.48 39.70 1wac n PHE 277 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wac h ALA 278 N 1.94 1.78 0.05 3.13 0.00 -1.85 0.63 119.26 124.93 1wac h ALA 278 Ca 0.47 0.23 -0.26 0.00 0.00 0.00 0.00 54.91 55.34 1wac h ALA 278 Cb 0.72 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1wac h ALA 278 CO -1.02 -0.63 -1.35 1.25 0.00 0.00 0.00 179.25 177.50 1wac h LEU 279 N 0.21 0.16 -0.54 0.00 5.85 -0.58 -3.35 115.31 117.06 1wac h LEU 279 Ca 0.71 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 59.12 1wac h LEU 279 Cb 1.62 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1wac h LEU 279 CO -0.68 1.18 -0.43 0.78 -0.34 0.00 0.00 178.44 178.95 1wac h ASN 280 N 0.03 0.00 0.60 1.25 -0.26 -0.49 -3.33 115.58 113.38 1wac h ASN 280 Ca -0.16 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.56 1wac h ASN 280 Cb 1.92 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 39.17 1wac h ASN 280 CO 0.13 0.43 -0.40 0.00 -1.06 0.00 0.00 177.43 176.54 1wac h ALA 281 N 1.57 -1.18 -0.68 -0.83 0.00 -1.41 0.82 119.26 117.56 1wac h ALA 281 Ca -0.00 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.91 1wac h ALA 281 Cb 1.11 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1wac h ALA 281 CO 0.06 -1.15 0.56 -1.00 0.00 0.00 0.00 179.25 177.71 1wac h PRO 282 N -0.94 0.00 0.00 0.00 0.13 -1.76 0.17 132.00 129.60 1wac h PRO 282 Ca -0.08 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.96 1wac h PRO 282 Cb 0.76 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.90 1wac h PRO 282 CO 0.06 0.00 -0.36 0.82 -0.23 0.00 0.00 178.00 178.30 1wac h ILE 283 N 0.00 1.52 -0.74 -3.56 2.04 -1.41 -3.29 117.51 112.06 1wac h ILE 283 Ca 0.32 -2.01 0.08 0.00 1.00 0.00 0.00 64.86 64.26 1wac h ILE 283 Cb 1.43 2.74 -0.07 0.00 -0.74 0.00 0.00 36.82 40.19 1wac h ILE 283 CO -0.00 0.56 0.40 0.24 0.00 0.00 0.00 178.15 179.34 1wac h MET 284 N -0.40 0.67 -0.30 2.37 2.86 0.34 -0.05 114.93 120.43 1wac h MET 284 Ca -0.05 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1wac h MET 284 Cb 1.11 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1wac h MET 284 CO 0.07 0.44 0.56 0.00 1.06 0.00 0.00 176.91 179.04 1wac h ALA 285 N 1.42 1.93 0.00 6.32 0.00 -1.13 0.18 119.26 127.98 1wac h ALA 285 Ca 0.35 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.89 1wac h ALA 285 Cb 0.32 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1wac h ALA 285 CO -0.24 -0.71 -2.37 0.28 0.00 0.00 0.00 179.25 176.22 1wac n VAL 286 N -3.23 1.37 0.20 0.00 0.31 -0.16 -4.41 118.33 112.42 1wac n VAL 286 Ca 0.05 -0.69 -0.15 0.00 -0.01 0.00 0.00 64.34 63.54 1wac n VAL 286 Cb 0.68 -0.91 -0.07 0.00 -0.91 0.00 0.00 33.84 32.63 1wac n VAL 286 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wac h ALA 287 N 0.50 -0.75 -0.97 3.52 0.00 0.61 -1.20 119.26 120.97 1wac h ALA 287 Ca -0.54 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.31 1wac h ALA 287 Cb 2.03 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 20.31 1wac h ALA 287 CO -0.03 -0.97 0.63 0.37 0.00 0.00 0.00 179.25 179.26 1wac h GLN 288 N -0.72 1.14 -0.68 0.00 5.75 -1.57 0.22 115.11 119.25 1wac h GLN 288 Ca -0.01 -0.07 -0.04 0.00 -0.15 0.00 0.00 58.65 58.38 1wac h GLN 288 Cb 0.67 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.93 1wac h GLN 288 CO -0.10 0.75 0.27 -1.35 -2.65 0.00 0.00 178.83 175.75 1wac h PRO 289 N 1.18 1.02 -0.66 -2.39 0.11 -1.71 -0.91 132.00 128.64 1wac h PRO 289 Ca 0.40 -0.19 0.01 0.00 0.11 0.00 0.00 66.00 66.33 1wac h PRO 289 Cb 0.09 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.00 1wac h PRO 289 CO -0.14 0.85 0.44 0.28 -0.21 0.00 0.00 178.00 179.22 1wac h VAL 290 N 0.97 1.17 -0.76 3.15 2.07 0.21 -1.83 116.25 121.23 1wac h VAL 290 Ca 0.23 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1wac h VAL 290 Cb 0.22 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1wac h VAL 290 CO -0.02 0.16 0.50 0.03 0.02 0.00 0.00 177.57 178.26 1wac h ARG 291 N 0.89 0.89 -0.39 1.57 3.08 0.17 -1.51 114.38 119.09 1wac h ARG 291 Ca 0.24 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 1wac h ARG 291 Cb -0.10 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.73 1wac h ARG 291 CO -0.05 0.59 -0.24 -0.91 -1.07 0.00 0.00 179.97 178.29 1wac h ASN 292 N 0.91 0.81 0.27 7.04 2.35 -0.54 0.26 115.58 126.69 1wac h ASN 292 Ca 0.30 -0.30 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1wac h ASN 292 Cb 0.07 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.22 1wac h ASN 292 CO -0.09 1.01 -0.13 0.50 -1.65 0.00 0.00 177.43 177.07 1wac h LYS 293 N 0.68 -0.35 -0.31 0.81 3.64 -0.62 -0.97 116.57 119.45 1wac h LYS 293 Ca 0.09 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1wac h LYS 293 Cb 0.76 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.64 1wac h LYS 293 CO 0.06 -0.03 -0.03 -0.84 -2.27 0.00 0.00 179.45 176.34 1wac h ILE 294 N -0.71 1.20 0.00 2.00 3.07 -1.26 0.64 117.51 122.45 1wac h ILE 294 Ca -0.04 -0.81 -0.04 0.00 1.55 0.00 0.00 64.86 65.52 1wac h ILE 294 Cb 0.49 1.00 -0.01 0.00 -0.27 0.00 0.00 36.82 38.03 1wac h ILE 294 CO 0.06 0.27 -0.20 1.88 -1.05 0.00 0.00 178.15 179.11 1wac h TYR 295 N 0.47 0.00 0.00 0.16 0.05 -0.40 -1.89 116.97 115.36 1wac h TYR 295 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.88 1wac h TYR 295 Cb 0.35 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 1wac h TYR 295 CO 0.01 0.20 0.00 -1.13 -1.05 0.00 0.00 178.16 176.20 1wac n SER 296 N -3.43 0.00 -0.32 3.88 3.41 -0.38 -3.96 113.62 112.83 1wac n SER 296 Ca -0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 1wac n SER 296 Cb 0.39 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.62 1wac n SER 296 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1wac h LYS 297 N 0.00 0.63 -1.22 4.33 3.64 -1.07 -1.55 116.57 121.32 1wac h LYS 297 Ca 0.00 -0.04 -0.64 0.00 -1.27 0.00 0.00 60.65 58.71 1wac h LYS 297 Cb 0.00 -0.14 -0.36 0.00 -0.41 0.00 0.00 32.23 31.32 1wac h LYS 297 CO 0.00 0.41 0.01 0.66 -2.27 0.00 0.00 179.45 178.27 1wac n TYR 298 N -4.86 3.07 0.31 1.91 4.01 -0.73 -4.68 117.16 116.21 1wac n TYR 298 Ca 0.20 -2.66 0.19 0.00 -0.16 0.00 0.00 57.90 55.47 1wac n TYR 298 Cb 0.52 -0.74 1.04 0.00 -0.31 0.00 0.00 39.34 39.85 1wac n TYR 298 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1wac h ALA 299 N 2.38 1.21 0.45 -0.72 0.00 -1.12 -1.44 119.26 120.01 1wac h ALA 299 Ca 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 1wac h ALA 299 Cb 0.92 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1wac h ALA 299 CO 1.13 0.02 -0.31 -0.92 0.00 0.00 0.00 179.25 179.17 1wac h TYR 300 N 0.00 -0.81 0.00 0.00 5.03 -1.84 -1.80 116.97 117.55 1wac h TYR 300 Ca -0.00 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.30 1wac h TYR 300 Cb 0.06 0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.64 1wac h TYR 300 CO 0.00 -0.46 -0.69 1.79 -1.32 0.00 0.00 178.16 177.48 1wac h THR 301 N -0.74 0.00 0.00 1.81 1.35 -1.38 -3.40 112.91 110.56 1wac h THR 301 Ca -0.05 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1wac h THR 301 Cb 0.62 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1wac h THR 301 CO 0.03 0.00 -0.56 0.49 -0.25 0.00 0.00 175.52 175.23 1wac n PHE 302 N -2.24 0.00 -3.66 4.73 0.99 -0.57 -1.25 117.46 115.46 1wac n PHE 302 Ca 0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.09 1wac n PHE 302 Cb 0.46 -0.04 -0.10 0.00 -1.00 0.00 0.00 39.48 38.80 1wac n PHE 302 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.76 175.18 1wac s HIS 303 N -1.78 3.39 -0.08 1.38 2.46 -0.68 -4.89 115.29 115.09 1wac s HIS 303 Ca 0.01 -1.78 0.04 0.00 0.47 0.00 0.00 55.06 53.79 1wac s HIS 303 Cb 0.04 -2.99 0.00 0.00 -0.13 0.00 0.00 32.58 29.50 1wac s HIS 303 CO 0.23 -0.89 -0.19 -1.01 -2.47 0.00 0.00 174.74 170.41 1wac s HIS 304 N 1.34 2.06 -0.30 3.88 3.76 -1.26 -4.86 115.29 119.92 1wac s HIS 304 Ca 0.04 -0.79 -0.10 0.00 -0.15 0.00 0.00 55.06 54.06 1wac s HIS 304 Cb -0.23 -1.41 0.18 0.00 1.11 0.00 0.00 32.58 32.23 1wac s HIS 304 CO 0.00 -0.33 0.95 0.95 -0.85 0.00 0.00 174.74 175.46 1wac s THR 305 N 0.40 -0.46 0.00 1.30 -4.23 -1.26 -5.07 115.64 106.32 1wac s THR 305 Ca -0.15 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1wac s THR 305 Cb -0.16 -0.88 0.00 0.00 1.34 0.00 0.00 72.50 72.79 1wac s THR 305 CO 0.06 0.00 0.00 0.41 -0.54 0.00 0.00 174.62 174.55 1wac n THR 306 N 5.41 0.00 -0.32 3.99 -1.04 -1.26 -4.56 114.28 116.50 1wac n THR 306 Ca -0.03 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.06 1wac n THR 306 Cb 0.54 0.00 0.25 0.00 -1.82 0.00 0.00 70.33 69.30 1wac n THR 306 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1wac h ARG 307 N 0.00 0.70 -0.07 -2.82 3.08 -2.00 -0.26 114.38 113.01 1wac h ARG 307 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1wac h ARG 307 Cb 0.00 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.89 1wac h ARG 307 CO 0.00 0.47 0.05 1.25 -1.07 0.00 0.00 179.97 180.66 1wac h LEU 308 N 0.72 0.08 -0.55 3.04 5.85 -1.93 0.17 115.31 122.70 1wac h LEU 308 Ca 0.49 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.27 1wac h LEU 308 Cb 0.67 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.60 1wac h LEU 308 CO -0.35 0.06 -0.52 -1.13 -0.34 0.00 0.00 178.44 176.16 1wac h ASN 309 N 0.09 -1.81 0.59 1.25 -1.24 -1.32 0.19 115.58 113.33 1wac h ASN 309 Ca 0.03 0.25 -0.02 0.00 0.71 0.00 0.00 56.30 57.27 1wac h ASN 309 Cb -0.01 0.76 -0.01 0.00 0.73 0.00 0.00 38.32 39.79 1wac h ASN 309 CO -0.01 -0.32 -0.46 0.11 -1.29 0.00 0.00 177.43 175.46 1wac h LYS 310 N -0.25 -0.99 -0.83 6.67 1.57 -1.11 -2.89 116.57 118.75 1wac h LYS 310 Ca 0.09 0.07 0.16 0.00 -1.87 0.00 0.00 60.65 59.10 1wac h LYS 310 Cb 0.49 0.22 -0.15 0.00 0.08 0.00 0.00 32.23 32.87 1wac h LYS 310 CO -0.65 -0.66 -0.24 1.49 -0.57 0.00 0.00 179.45 178.82 1wac h GLU 311 N -1.02 -0.02 -0.94 3.15 4.81 -0.11 0.30 114.58 120.75 1wac h GLU 311 Ca -0.07 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.34 1wac h GLU 311 Cb 0.86 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.17 1wac h GLU 311 CO 0.01 -0.01 0.60 0.93 -0.73 0.00 0.00 179.01 179.80 1wac h GLU 312 N -0.02 0.59 -0.14 1.92 5.08 -0.43 -0.81 114.58 120.78 1wac h GLU 312 Ca 0.38 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 1wac h GLU 312 Cb 0.61 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 1wac h GLU 312 CO -0.86 0.39 -0.17 0.87 -1.00 0.00 0.00 179.01 178.24 1wac h LYS 313 N 0.61 0.36 -0.38 2.33 1.57 -0.32 -3.35 116.57 117.38 1wac h LYS 313 Ca 0.50 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 59.00 1wac h LYS 313 Cb 0.95 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1wac h LYS 313 CO -0.25 0.77 -0.07 0.28 -0.57 0.00 0.00 179.45 179.61 1wac h VAL 314 N -0.03 1.27 -0.86 0.50 2.07 -0.70 -3.23 116.25 115.26 1wac h VAL 314 Ca 0.02 -1.14 0.20 0.00 0.82 0.00 0.00 66.70 66.60 1wac h VAL 314 Cb 0.72 1.24 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1wac h VAL 314 CO 0.04 0.38 0.58 0.11 0.02 0.00 0.00 177.57 178.70 1wac h LYS 315 N 0.52 0.32 0.00 1.57 1.57 -1.32 0.22 116.57 119.45 1wac h LYS 315 Ca 0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1wac h LYS 315 Cb 0.58 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1wac h LYS 315 CO 0.03 0.21 0.00 0.93 -0.57 0.00 0.00 179.45 180.06 1wac h GLU 316 N 0.33 0.00 -6.84 3.15 5.08 -1.71 -3.26 114.58 111.33 1wac h GLU 316 Ca 0.44 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 58.33 1wac h GLU 316 Cb 1.20 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 1wac h GLU 316 CO -0.14 0.00 0.28 -1.58 -1.00 0.00 0.00 179.01 176.57 1wac s TRP 317 N -3.67 3.59 0.05 4.33 0.51 0.76 -4.85 118.94 119.66 1wac s TRP 317 Ca -0.01 1.64 0.10 0.00 -2.12 0.00 0.00 56.10 55.71 1wac s TRP 317 Cb 0.09 -2.82 -0.22 0.00 -0.81 0.00 0.00 33.47 29.71 1wac s TRP 317 CO 0.38 0.17 1.00 0.77 -0.51 0.00 0.00 176.95 178.77 1wac h SER 318 N 2.93 0.00 -3.48 2.95 0.02 0.13 -3.36 113.55 112.75 1wac h SER 318 Ca -0.47 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.22 1wac h SER 318 Cb 1.19 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.41 1wac h SER 318 CO 0.64 1.00 -0.63 -0.22 -1.14 0.00 0.00 176.83 176.48 1wac s LEU 319 N -6.43 0.88 -0.18 5.07 2.96 -0.96 -4.55 118.68 115.48 1wac s LEU 319 Ca -0.02 0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 54.13 1wac s LEU 319 Cb 0.09 0.27 0.04 0.00 0.50 0.00 0.00 46.19 47.09 1wac s LEU 319 CO 0.82 -0.13 -0.07 0.00 -1.32 0.00 0.00 176.35 175.65 1wac s VAL 321 N 1.55 3.96 -0.21 0.00 1.01 -0.01 -4.93 120.40 121.77 1wac s VAL 321 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1wac s VAL 321 Cb -0.15 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1wac s VAL 321 CO -0.08 0.52 0.06 0.00 0.00 0.00 0.00 175.10 175.60 1wac s ALA 322 N 0.09 3.28 0.62 5.51 0.00 -1.26 0.43 121.76 130.43 1wac s ALA 322 Ca -0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 51.96 51.03 1wac s ALA 322 Cb -0.13 -1.98 0.10 0.00 0.00 0.00 0.00 23.12 21.10 1wac s ALA 322 CO 0.03 -0.12 0.67 0.25 0.00 0.00 0.00 175.76 176.59 1wac n THR 323 N 4.17 0.00 -3.32 0.00 -2.24 -1.13 0.38 114.28 112.15 1wac n THR 323 Ca -0.16 -1.06 -0.02 0.00 -2.27 0.00 0.00 64.05 60.53 1wac n THR 323 Cb 0.52 -1.05 -0.05 0.00 -2.10 0.00 0.00 70.33 67.66 1wac n THR 323 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wac s ASP 324 N -3.75 -0.70 0.14 3.42 2.15 -0.12 -3.64 116.67 114.18 1wac s ASP 324 Ca 0.45 0.74 0.00 0.00 0.43 0.00 0.00 52.55 54.17 1wac s ASP 324 Cb -0.03 1.74 -0.04 0.00 -0.30 0.00 0.00 42.92 44.30 1wac s ASP 324 CO 0.30 -0.27 0.31 -0.69 -0.17 0.00 0.00 175.17 174.65 1wac s VAL 325 N 2.73 5.29 -0.18 1.11 1.01 -1.26 -0.81 120.40 128.30 1wac s VAL 325 Ca 0.13 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 1wac s VAL 325 Cb -0.15 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1wac s VAL 325 CO -0.18 -0.05 -0.08 -0.55 0.00 0.00 0.00 175.10 174.24 1wac s SER 326 N -2.97 4.21 -1.59 3.32 0.15 -0.91 -4.66 113.70 111.25 1wac s SER 326 Ca 0.36 -0.34 -0.12 0.00 0.70 0.00 0.00 55.95 56.55 1wac s SER 326 Cb -0.12 -1.69 0.10 0.00 -1.71 0.00 0.00 66.02 62.61 1wac s SER 326 CO 0.28 0.08 0.71 -0.67 1.20 0.00 0.00 173.24 174.84 1wac n ASP 327 N 4.13 -2.64 -0.37 5.45 2.03 -1.26 -4.75 116.55 119.15 1wac n ASP 327 Ca -0.18 -0.98 -0.03 0.00 0.52 0.00 0.00 54.79 54.13 1wac n ASP 327 Cb 0.52 -3.01 0.02 0.00 -0.72 0.00 0.00 41.12 37.93 1wac n ASP 327 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 1wac n HIS 328 N -4.44 -0.05 -0.11 -0.67 -0.00 -1.26 -1.63 115.22 107.06 1wac n HIS 328 Ca -0.04 1.17 -0.02 0.00 -0.00 0.00 0.00 57.72 58.83 1wac n HIS 328 Cb 0.55 -0.81 0.23 0.00 -0.00 0.00 0.00 29.99 29.97 1wac n HIS 328 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1wac h ASP 329 N 0.00 0.72 1.00 0.26 3.32 -1.89 0.67 116.42 120.50 1wac h ASP 329 Ca 0.30 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 1wac h ASP 329 Cb 0.54 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1wac h ASP 329 CO -0.93 0.68 -0.45 0.74 -1.72 0.00 0.00 179.24 177.56 1wac h THR 330 N 0.76 0.94 0.00 0.35 2.02 -1.54 0.57 112.91 116.01 1wac h THR 330 Ca 0.18 -1.82 -0.12 0.00 0.77 0.00 0.00 66.41 65.41 1wac h THR 330 Cb 0.23 2.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 1wac h THR 330 CO -0.01 0.44 -1.14 -0.26 0.37 0.00 0.00 175.52 174.92 1wac h PHE 331 N 0.00 0.00 -0.98 3.16 -1.00 -0.98 -3.41 116.94 113.73 1wac h PHE 331 Ca -0.00 0.00 -0.82 0.00 2.81 0.00 0.00 57.97 59.96 1wac h PHE 331 Cb 1.07 0.00 0.03 0.00 3.61 0.00 0.00 35.95 40.66 1wac h PHE 331 CO 0.00 0.45 0.36 1.87 -1.61 0.00 0.00 178.31 179.38 1wac n TRP 332 N -2.92 1.16 -2.50 -0.55 -0.00 0.19 -4.83 117.44 107.99 1wac n TRP 332 Ca -0.06 1.08 -0.42 0.00 -0.00 0.00 0.00 57.50 58.10 1wac n TRP 332 Cb 0.76 -2.11 -0.03 0.00 -0.00 0.00 0.00 31.31 29.93 1wac n TRP 332 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1wac s PRO 333 N 1.42 4.46 0.49 5.87 0.04 -1.26 -4.17 135.00 141.85 1wac s PRO 333 Ca 0.96 1.67 0.14 0.00 0.04 0.00 0.00 61.00 63.81 1wac s PRO 333 Cb -1.35 -3.39 1.17 0.00 0.04 0.00 0.00 34.50 30.97 1wac s PRO 333 CO 0.68 -0.22 2.12 0.78 0.04 0.00 0.00 177.00 180.40 1wac h GLY 334 N 6.90 0.11 1.86 0.56 0.00 -1.94 -1.88 103.07 108.68 1wac h GLY 334 Ca -0.41 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 1wac h GLY 334 CO 0.80 0.04 -0.15 0.11 0.00 0.00 0.00 176.54 177.34 1wac h TRP 335 N 0.11 0.18 -0.15 5.60 5.08 -1.91 -0.52 115.95 124.33 1wac h TRP 335 Ca 0.03 -0.02 -0.06 0.00 1.08 0.00 0.00 58.89 59.92 1wac h TRP 335 Cb 0.01 -0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 26.10 1wac h TRP 335 CO 0.00 0.32 -0.15 1.25 -1.28 0.00 0.00 178.44 178.58 1wac h LEU 336 N 0.17 0.24 0.59 0.11 5.85 -1.74 -1.18 115.31 119.35 1wac h LEU 336 Ca 0.03 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1wac h LEU 336 Cb 0.37 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1wac h LEU 336 CO 0.02 0.42 -0.34 -0.09 -0.34 0.00 0.00 178.44 178.11 1wac h ARG 337 N 0.23 -0.84 -0.82 1.25 2.43 -1.10 0.12 114.38 115.65 1wac h ARG 337 Ca 0.05 0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 1wac h ARG 337 Cb 0.42 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 1wac h ARG 337 CO 0.03 -0.56 0.53 -0.44 -1.51 0.00 0.00 179.97 178.02 1wac h ASP 338 N -0.87 0.75 -0.12 -3.80 3.45 -1.04 -0.09 116.42 114.70 1wac h ASP 338 Ca -0.07 0.01 -0.08 0.00 0.43 0.00 0.00 57.03 57.32 1wac h ASP 338 Cb 0.70 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 1wac h ASP 338 CO 0.09 0.47 -0.23 0.25 -1.57 0.00 0.00 179.24 178.25 1wac h LEU 339 N 0.84 0.40 -0.44 1.55 6.46 -1.04 -0.23 115.31 122.86 1wac h LEU 339 Ca 0.36 -0.56 0.05 0.00 -0.12 0.00 0.00 57.88 57.62 1wac h LEU 339 Cb 0.31 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.08 1wac h LEU 339 CO -0.14 0.88 0.17 0.40 -0.62 0.00 0.00 178.44 179.14 1wac h ILE 340 N -0.06 0.88 -0.11 4.05 2.04 -0.38 0.64 117.51 124.58 1wac h ILE 340 Ca 0.00 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1wac h ILE 340 Cb 0.81 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1wac h ILE 340 CO 0.05 0.06 0.04 0.00 0.00 0.00 0.00 178.15 178.30 1wac h ASP 342 N 0.09 -0.94 -0.74 0.00 3.58 -0.19 0.20 116.42 118.42 1wac h ASP 342 Ca 0.04 0.10 0.14 0.00 0.42 0.00 0.00 57.03 57.74 1wac h ASP 342 Cb 0.02 0.35 -0.10 0.00 1.72 0.00 0.00 39.33 41.32 1wac h ASP 342 CO -0.05 -0.32 0.27 -0.08 -2.88 0.00 0.00 179.24 176.19 1wac h GLU 343 N -0.43 0.40 -0.65 0.28 4.57 -0.82 0.65 114.58 118.58 1wac h GLU 343 Ca -0.00 -0.02 0.10 0.00 -1.18 0.00 0.00 59.36 58.26 1wac h GLU 343 Cb 0.44 -0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 28.86 1wac h GLU 343 CO -0.18 0.26 0.26 -0.07 -1.18 0.00 0.00 179.01 178.11 1wac h LEU 344 N 0.41 0.28 -0.95 1.64 3.38 -0.59 0.48 115.31 119.96 1wac h LEU 344 Ca 0.41 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 1wac h LEU 344 Cb 0.63 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 1wac h LEU 344 CO -0.42 0.15 0.57 -0.07 0.09 0.00 0.00 178.44 178.76 1wac h LEU 345 N 0.45 1.15 -0.75 1.67 3.38 0.12 -1.14 115.31 120.18 1wac h LEU 345 Ca 0.33 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 1wac h LEU 345 Cb 0.42 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1wac h LEU 345 CO -0.32 0.88 -0.06 0.78 0.09 0.00 0.00 178.44 179.82 1wac h ASN 346 N 1.31 0.87 0.43 -0.43 2.35 0.26 0.32 115.58 120.70 1wac h ASN 346 Ca 0.34 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1wac h ASN 346 Cb -0.05 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.08 1wac h ASN 346 CO -0.06 0.97 0.00 0.23 -1.65 0.00 0.00 177.43 176.91 1wac n MET 347 N -4.17 0.12 -1.88 0.81 2.81 0.14 -4.86 117.12 110.09 1wac n MET 347 Ca 0.02 0.45 0.00 0.00 -1.81 0.00 0.00 57.70 56.36 1wac n MET 347 Cb 0.35 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 1wac n MET 347 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wac n GLY 348 N -0.48 0.92 3.84 3.03 0.00 0.11 -4.65 105.19 107.97 1wac n GLY 348 Ca 0.01 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1wac n GLY 348 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wac s TYR 349 N -2.75 3.38 -0.14 1.61 2.02 -0.63 -3.42 117.35 117.43 1wac s TYR 349 Ca 0.00 1.42 -0.31 0.00 -0.37 0.00 0.00 57.07 57.82 1wac s TYR 349 Cb 0.00 -2.82 -0.08 0.00 -0.40 0.00 0.00 41.96 38.66 1wac s TYR 349 CO 0.00 -0.68 2.09 0.00 -1.57 0.00 0.00 175.55 175.39 1wac n ALA 350 N -2.15 1.49 -0.36 3.71 0.00 -0.07 -4.77 120.51 118.37 1wac n ALA 350 Ca 0.07 -0.01 0.27 0.00 0.00 0.00 0.00 53.44 53.77 1wac n ALA 350 Cb 0.54 -2.74 0.53 0.00 0.00 0.00 0.00 19.45 17.78 1wac n ALA 350 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1wac h PRO 351 N 12.51 0.28 -0.67 0.00 0.11 -1.91 0.46 132.00 142.78 1wac h PRO 351 Ca -0.43 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 1wac h PRO 351 Cb 1.26 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 1wac h PRO 351 CO 0.96 0.18 0.15 0.11 -0.21 0.00 0.00 178.00 179.19 1wac h TRP 352 N 0.28 1.11 -0.17 0.65 5.08 -1.89 0.76 115.95 121.77 1wac h TRP 352 Ca 0.72 -0.13 -0.03 0.00 1.08 0.00 0.00 58.89 60.53 1wac h TRP 352 Cb 1.87 -0.32 -0.01 0.00 -3.00 0.00 0.00 29.16 27.71 1wac h TRP 352 CO -0.01 0.91 -0.01 2.35 -1.28 0.00 0.00 178.44 180.41 1wac h TRP 353 N 1.01 0.34 -0.85 0.12 7.01 -0.50 -1.83 115.95 121.24 1wac h TRP 353 Ca 0.21 -0.06 0.09 0.00 2.11 0.00 0.00 58.89 61.23 1wac h TRP 353 Cb 0.37 -0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.27 1wac h TRP 353 CO 0.03 0.54 0.51 0.28 -2.79 0.00 0.00 178.44 177.00 1wac h VAL 354 N 0.05 0.95 -0.63 2.65 2.07 -0.78 0.91 116.25 121.47 1wac h VAL 354 Ca 0.05 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.31 1wac h VAL 354 Cb 0.41 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.14 1wac h VAL 354 CO 0.01 0.16 0.36 0.50 0.02 0.00 0.00 177.57 178.62 1wac h LYS 355 N 0.87 0.66 -0.18 1.57 1.63 -0.57 0.54 116.57 121.09 1wac h LYS 355 Ca 0.40 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 60.15 1wac h LYS 355 Cb 0.31 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1wac h LYS 355 CO -0.22 0.44 0.09 -0.07 -3.45 0.00 0.00 179.45 176.23 1wac h LEU 356 N 0.68 0.24 0.23 5.20 3.38 -0.22 -1.16 115.31 123.66 1wac h LEU 356 Ca 0.27 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1wac h LEU 356 Cb 0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1wac h LEU 356 CO -0.15 0.29 -0.37 0.15 0.09 0.00 0.00 178.44 178.44 1wac h PHE 357 N 0.17 -1.02 -0.56 1.13 3.57 -0.04 0.41 116.94 120.60 1wac h PHE 357 Ca 0.06 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1wac h PHE 357 Cb 0.11 0.42 -0.10 0.00 2.79 0.00 0.00 35.95 39.17 1wac h PHE 357 CO -0.03 -0.49 -0.51 1.49 -2.23 0.00 0.00 178.31 176.54 1wac h GLU 358 N -0.67 -0.26 -0.43 1.11 4.81 0.22 -1.47 114.58 117.89 1wac h GLU 358 Ca 0.00 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1wac h GLU 358 Cb 0.66 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1wac h GLU 358 CO -0.15 -0.18 0.29 1.15 -0.73 0.00 0.00 179.01 179.40 1wac h THR 359 N -0.27 0.93 0.00 0.32 2.02 -0.78 0.93 112.91 116.06 1wac h THR 359 Ca 0.13 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1wac h THR 359 Cb 0.56 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1wac h THR 359 CO -0.68 0.05 0.00 0.77 0.37 0.00 0.00 175.52 176.03 1wac h SER 360 N 0.29 0.00 -0.45 4.18 4.64 0.19 -1.66 113.55 120.74 1wac h SER 360 Ca 0.19 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.31 1wac h SER 360 Cb 0.39 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.36 1wac h SER 360 CO -0.04 0.00 0.06 0.18 -0.87 0.00 0.00 176.83 176.16 1wac n LEU 361 N -2.96 4.57 0.00 5.97 4.77 0.32 -4.32 117.00 125.35 1wac n LEU 361 Ca -0.02 -3.61 0.00 0.00 -0.03 0.00 0.00 56.01 52.35 1wac n LEU 361 Cb 0.09 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1wac n LEU 361 CO 0.19 1.12 0.00 0.29 -1.33 0.00 0.00 177.39 177.66 1wac n LYS 362 N -0.99 0.00 -1.62 3.23 5.02 -0.66 -4.88 118.16 118.27 1wac n LYS 362 Ca 0.36 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.26 1wac n LYS 362 Cb 1.13 -0.25 0.04 0.00 -0.02 0.00 0.00 35.03 35.92 1wac n LYS 362 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1wac n LEU 363 N 0.00 3.32 -4.72 -0.35 7.94 -1.00 -0.69 117.00 121.51 1wac n LEU 363 Ca 0.00 0.90 -0.29 0.00 -1.11 0.00 0.00 56.01 55.51 1wac n LEU 363 Cb 0.16 -1.38 0.19 0.00 0.53 0.00 0.00 43.42 42.92 1wac n LEU 363 CO 0.00 -1.65 0.69 -2.84 -1.11 0.00 0.00 177.39 172.48 1wac s PRO 364 N -2.46 0.03 -0.01 1.96 0.02 -1.26 -4.63 135.00 128.65 1wac s PRO 364 Ca 0.70 0.08 0.00 0.00 0.02 0.00 0.00 61.00 61.80 1wac s PRO 364 Cb -0.47 -1.73 0.01 0.00 0.02 0.00 0.00 34.50 32.34 1wac s PRO 364 CO 0.51 -2.91 0.01 0.14 -0.33 0.00 0.00 177.00 174.43 1wac s VAL 365 N -3.22 -0.00 -0.40 3.83 -7.23 -0.64 -0.62 120.40 112.12 1wac s VAL 365 Ca 0.68 0.08 -0.16 0.00 -1.81 0.00 0.00 61.98 60.77 1wac s VAL 365 Cb -0.12 -0.06 0.01 0.00 0.56 0.00 0.00 36.38 36.78 1wac s VAL 365 CO 0.55 0.04 0.38 -0.47 -0.31 0.00 0.00 175.10 175.30 1wac s TYR 366 N 0.46 3.20 -0.13 2.82 6.14 0.18 -0.80 117.35 129.22 1wac s TYR 366 Ca -0.04 -0.34 -0.26 0.00 0.64 0.00 0.00 57.07 57.07 1wac s TYR 366 Cb -0.06 -2.76 -0.02 0.00 0.42 0.00 0.00 41.96 39.54 1wac s TYR 366 CO -0.01 -0.61 0.85 0.08 0.64 0.00 0.00 175.55 176.50 1wac s VAL 367 N 1.99 4.89 0.00 3.14 1.01 0.13 -1.52 120.40 130.05 1wac s VAL 367 Ca 0.10 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.78 1wac s VAL 367 Cb -0.17 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1wac s VAL 367 CO 0.12 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1wac n GLY 368 N 3.29 1.93 2.49 4.51 0.00 -1.26 -1.28 105.19 114.88 1wac n GLY 368 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1wac n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wac s ALA 369 N -4.00 1.13 -0.60 4.61 0.00 -1.26 0.16 121.76 121.80 1wac s ALA 369 Ca 0.00 -2.00 0.21 0.00 0.00 0.00 0.00 51.96 50.17 1wac s ALA 369 Cb 0.00 -1.64 0.88 0.00 0.00 0.00 0.00 23.12 22.36 1wac s ALA 369 CO 0.00 -2.10 1.63 -0.35 0.00 0.00 0.00 175.76 174.94 1wac n PRO 370 N 3.90 0.14 -3.67 0.00 -0.04 -1.26 -4.56 135.00 129.51 1wac n PRO 370 Ca 0.13 0.40 -0.01 0.00 -0.04 0.00 0.00 63.50 63.97 1wac n PRO 370 Cb 0.37 -1.78 -0.01 0.00 -0.04 0.00 0.00 33.50 32.04 1wac n PRO 370 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wac s ALA 371 N -3.25 -1.95 0.54 0.55 0.00 -1.26 -0.63 121.76 115.76 1wac s ALA 371 Ca 0.04 0.49 -0.21 0.00 0.00 0.00 0.00 51.96 52.28 1wac s ALA 371 Cb 0.09 0.47 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 1wac s ALA 371 CO 0.34 -1.01 1.31 -2.14 0.00 0.00 0.00 175.76 174.26 1wac s PRO 372 N -2.85 3.20 -1.52 0.00 0.02 -1.26 -2.60 135.00 129.99 1wac s PRO 372 Ca 0.13 2.12 -0.05 0.00 0.02 0.00 0.00 61.00 63.21 1wac s PRO 372 Cb 0.02 -2.24 0.02 0.00 0.02 0.00 0.00 34.50 32.31 1wac s PRO 372 CO -0.01 -1.10 0.55 0.39 -0.33 0.00 0.00 177.00 176.49 1wac n GLU 373 N -1.03 -4.48 -3.69 5.54 -0.58 -1.26 -4.98 120.64 110.17 1wac n GLU 373 Ca 0.10 0.85 -0.14 0.00 -0.42 0.00 0.00 57.16 57.55 1wac n GLU 373 Cb 0.46 -5.68 -0.08 0.00 -0.57 0.00 0.00 31.44 25.57 1wac n GLU 373 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1wac s GLN 374 N -5.70 0.72 0.00 3.49 0.74 -1.07 -5.14 119.66 112.70 1wac s GLN 374 Ca 0.30 0.20 0.00 0.00 0.05 0.00 0.00 55.36 55.91 1wac s GLN 374 Cb -0.14 0.33 0.00 0.00 1.10 0.00 0.00 33.01 34.31 1wac s GLN 374 CO 0.37 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.34 1wac n GLY 375 N 1.72 0.31 3.91 2.59 0.00 -1.25 -4.02 105.19 108.45 1wac n GLY 375 Ca -0.18 -1.86 -0.26 0.00 0.00 0.00 0.00 46.02 43.72 1wac n GLY 375 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wac n HIS 376 N 0.00 -1.69 -3.99 1.61 8.25 0.41 -4.92 115.22 114.90 1wac n HIS 376 Ca 0.00 0.71 -0.12 0.00 -0.26 0.00 0.00 57.72 58.05 1wac n HIS 376 Cb 0.00 -3.74 -0.13 0.00 1.12 0.00 0.00 29.99 27.24 1wac n HIS 376 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1wac s THR 377 N -3.88 0.19 -0.22 1.59 2.01 -0.82 -2.05 115.64 112.45 1wac s THR 377 Ca 0.06 -0.36 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 1wac s THR 377 Cb -0.02 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1wac s THR 377 CO 0.88 -0.12 0.04 -0.22 -0.69 0.00 0.00 174.62 174.52 1wac s LEU 378 N -0.51 3.45 -0.17 4.42 2.96 0.13 0.18 118.68 129.15 1wac s LEU 378 Ca -0.04 -0.14 -0.08 0.00 -0.22 0.00 0.00 54.13 53.65 1wac s LEU 378 Cb -0.04 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 1wac s LEU 378 CO -0.00 0.05 0.11 -0.76 -1.32 0.00 0.00 176.35 174.42 1wac s LEU 379 N 1.11 4.11 0.00 -0.68 1.43 0.02 -0.28 118.68 124.39 1wac s LEU 379 Ca 0.03 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 1wac s LEU 379 Cb -0.14 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1wac s LEU 379 CO 0.03 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.46 1wac n GLY 380 N 3.05 0.32 3.54 -3.19 0.00 0.21 -1.62 105.19 107.50 1wac n GLY 380 Ca -0.17 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 1wac n GLY 380 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wac s ASP 381 N -1.06 5.95 0.51 1.61 3.68 -1.26 -4.83 116.67 121.26 1wac s ASP 381 Ca 0.00 -0.27 0.21 0.00 2.13 0.00 0.00 52.55 54.61 1wac s ASP 381 Cb 0.00 -2.11 1.32 0.00 -1.45 0.00 0.00 42.92 40.68 1wac s ASP 381 CO 0.00 -0.15 2.09 -0.65 0.13 0.00 0.00 175.17 176.59 1wac h PRO 382 N 8.42 0.00 -0.68 4.34 0.11 -1.93 -1.11 132.00 141.14 1wac h PRO 382 Ca -0.33 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.95 1wac h PRO 382 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1wac h PRO 382 CO 0.60 0.10 0.47 0.77 -0.21 0.00 0.00 178.00 179.73 1wac h SER 383 N 0.00 0.15 -1.78 -2.05 0.02 -1.93 -3.34 113.55 104.62 1wac h SER 383 Ca -0.00 0.01 -0.31 0.00 -0.84 0.00 0.00 61.79 60.65 1wac h SER 383 Cb 0.20 -0.02 -0.29 0.00 0.14 0.00 0.00 62.40 62.43 1wac h SER 383 CO 0.01 0.08 -0.64 0.21 -1.14 0.00 0.00 176.83 175.35 1wac s ASN 384 N -6.01 0.67 -0.31 3.07 3.84 -0.43 -4.40 114.94 111.37 1wac s ASN 384 Ca -0.06 -1.37 -0.37 0.00 0.21 0.00 0.00 52.86 51.26 1wac s ASN 384 Cb 0.21 0.83 -0.13 0.00 -0.55 0.00 0.00 41.25 41.60 1wac s ASN 384 CO 0.75 -0.25 2.03 -2.65 -2.79 0.00 0.00 177.10 174.19 1wac n PRO 385 N 4.34 1.15 -0.51 0.43 -0.02 -1.19 -4.64 135.00 134.56 1wac n PRO 385 Ca 0.10 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1wac n PRO 385 Cb 0.47 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1wac n PRO 385 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1wac n ASP 386 N 8.13 0.06 -4.80 2.55 5.68 -1.18 -4.87 116.55 122.12 1wac n ASP 386 Ca 0.36 -2.02 -0.33 0.00 -0.50 0.00 0.00 54.79 52.30 1wac n ASP 386 Cb 0.19 -0.21 -0.01 0.00 -1.14 0.00 0.00 41.12 39.96 1wac n ASP 386 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1wac s LEU 387 N -0.05 3.65 -0.53 -2.12 2.01 0.14 -5.00 118.68 116.78 1wac s LEU 387 Ca 0.01 1.89 0.07 0.00 0.01 0.00 0.00 54.13 56.11 1wac s LEU 387 Cb 0.01 -4.55 0.26 0.00 0.01 0.00 0.00 46.19 41.92 1wac s LEU 387 CO -0.00 -1.02 0.67 -0.62 1.01 0.00 0.00 176.35 176.39 1wac n GLU 388 N -1.57 1.83 0.00 1.70 -0.58 0.11 -4.44 120.64 117.70 1wac n GLU 388 Ca 0.09 -4.09 0.13 0.00 -0.42 0.00 0.00 57.16 52.87 1wac n GLU 388 Cb 0.53 -1.84 0.26 0.00 -0.57 0.00 0.00 31.44 29.81 1wac n GLU 388 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1wac n VAL 389 N 0.97 0.00 -1.47 2.62 0.24 -1.22 0.12 118.33 119.59 1wac n VAL 389 Ca 0.26 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 1wac n VAL 389 Cb 0.46 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 1wac n VAL 389 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wac n GLY 390 N 1.30 0.01 3.68 7.63 0.00 -1.26 -4.53 105.19 112.02 1wac n GLY 390 Ca 0.15 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 1wac n GLY 390 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wac s LEU 391 N 0.00 4.23 -0.26 0.99 1.43 0.19 -4.97 118.68 120.29 1wac s LEU 391 Ca 0.00 1.50 -0.20 0.00 -1.03 0.00 0.00 54.13 54.40 1wac s LEU 391 Cb 0.00 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 1wac s LEU 391 CO 0.00 -0.46 0.59 -0.55 0.23 0.00 0.00 176.35 176.16 1wac s SER 392 N 1.11 6.53 0.66 2.29 0.15 -1.26 -4.75 113.70 118.42 1wac s SER 392 Ca 0.47 0.65 0.33 0.00 0.70 0.00 0.00 55.95 58.10 1wac s SER 392 Cb -0.18 -2.32 1.78 0.00 -1.71 0.00 0.00 66.02 63.60 1wac s SER 392 CO 0.17 -0.34 2.02 0.77 1.20 0.00 0.00 173.24 177.05 1wac h SER 393 N 7.93 0.00 -0.50 5.45 4.64 -1.93 -1.68 113.55 127.46 1wac h SER 393 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1wac h SER 393 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1wac h SER 393 CO 0.75 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.32 1wac n GLY 394 N -1.21 2.10 3.77 -0.77 0.00 0.14 -4.87 105.19 104.34 1wac n GLY 394 Ca -0.02 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.94 1wac n GLY 394 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wac s GLN 395 N -1.18 3.91 0.00 1.61 -0.44 -0.63 -3.64 119.66 119.28 1wac s GLN 395 Ca 0.39 1.98 0.01 0.00 -2.50 0.00 0.00 55.36 55.24 1wac s GLN 395 Cb 0.21 -2.64 0.03 0.00 -1.64 0.00 0.00 33.01 28.98 1wac s GLN 395 CO 0.29 -0.49 0.73 0.41 0.50 0.00 0.00 175.29 176.73 1wac n GLY 396 N 0.63 -0.22 1.42 2.59 0.00 -1.26 -3.28 105.19 105.07 1wac n GLY 396 Ca 0.05 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1wac n GLY 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wac n ALA 397 N -1.20 2.57 0.30 4.61 0.00 -1.26 -4.50 120.51 121.03 1wac n ALA 397 Ca 0.00 -2.09 0.19 0.00 0.00 0.00 0.00 53.44 51.54 1wac n ALA 397 Cb 0.00 -0.68 1.02 0.00 0.00 0.00 0.00 19.45 19.80 1wac n ALA 397 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1wac h THR 398 N 6.70 0.21 -0.04 0.00 1.35 -1.87 0.12 112.91 119.38 1wac h THR 398 Ca -0.28 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.50 1wac h THR 398 Cb 1.82 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1wac h THR 398 CO 0.04 0.00 -0.28 -2.24 -0.25 0.00 0.00 175.52 172.79 1wac h ASP 399 N 0.00 0.32 -0.98 5.36 -0.00 -1.91 -2.54 116.42 116.67 1wac h ASP 399 Ca 0.02 -0.68 0.02 0.00 -0.00 0.00 0.00 57.03 56.38 1wac h ASP 399 Cb 0.19 -0.10 -0.05 0.00 -0.00 0.00 0.00 39.33 39.38 1wac h ASP 399 CO -0.00 0.95 0.65 -0.07 -0.00 0.00 0.00 179.24 180.77 1wac h LEU 400 N -0.29 1.11 -0.40 0.15 3.38 -1.44 -0.84 115.31 116.98 1wac h LEU 400 Ca -0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1wac h LEU 400 Cb 0.96 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1wac h LEU 400 CO 0.06 0.79 0.14 0.24 0.09 0.00 0.00 178.44 179.75 1wac h MET 401 N 1.30 0.62 -0.39 1.13 2.86 -1.16 0.41 114.93 119.71 1wac h MET 401 Ca 0.37 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.77 1wac h MET 401 Cb -0.11 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 1wac h MET 401 CO -0.09 0.61 -0.20 0.78 1.06 0.00 0.00 176.91 179.07 1wac h GLY 402 N 0.51 0.81 0.72 8.32 0.00 -1.11 -2.09 103.07 110.23 1wac h GLY 402 Ca 0.13 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1wac h GLY 402 CO -0.01 0.61 -0.02 -0.84 0.00 0.00 0.00 176.54 176.29 1wac h THR 403 N 0.66 1.28 0.12 4.70 2.02 -0.91 0.11 112.91 120.89 1wac h THR 403 Ca 0.10 -0.91 0.01 0.00 0.77 0.00 0.00 66.41 66.38 1wac h THR 403 Cb 0.70 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 1wac h THR 403 CO 0.05 0.26 -0.19 0.25 0.37 0.00 0.00 175.52 176.26 1wac h LEU 404 N -0.15 -0.53 0.38 2.58 7.12 -0.91 0.33 115.31 124.13 1wac h LEU 404 Ca 0.02 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 1wac h LEU 404 Cb 0.41 0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.71 1wac h LEU 404 CO 0.01 -0.28 -0.50 0.25 -0.13 0.00 0.00 178.44 177.79 1wac h LEU 405 N -0.38 -1.40 -0.34 2.25 5.85 -1.31 -3.14 115.31 116.84 1wac h LEU 405 Ca 0.02 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 1wac h LEU 405 Cb 0.39 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1wac h LEU 405 CO -0.09 -0.62 0.11 0.24 -0.34 0.00 0.00 178.44 177.73 1wac h MET 406 N -0.92 0.52 -0.03 1.25 2.86 -0.62 -1.91 114.93 116.08 1wac h MET 406 Ca -0.04 -0.11 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1wac h MET 406 Cb 0.83 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 1wac h MET 406 CO -0.13 0.55 -0.24 1.03 1.06 0.00 0.00 176.91 179.18 1wac h SER 407 N 0.40 -0.73 -0.28 1.22 0.87 -0.40 0.30 113.55 114.93 1wac h SER 407 Ca 0.11 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.80 1wac h SER 407 Cb 0.24 0.31 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 1wac h SER 407 CO -0.00 -0.31 0.12 0.40 -0.53 0.00 0.00 176.83 176.51 1wac h ILE 408 N -0.36 0.97 -0.74 2.23 1.08 -1.59 -0.31 117.51 118.78 1wac h ILE 408 Ca 0.07 -0.09 0.14 0.00 -0.39 0.00 0.00 64.86 64.60 1wac h ILE 408 Cb 0.46 0.68 -0.10 0.00 -3.07 0.00 0.00 36.82 34.80 1wac h ILE 408 CO -0.24 0.05 0.28 0.74 -0.69 0.00 0.00 178.15 178.29 1wac h THR 409 N 0.26 0.64 -0.38 -0.27 2.02 -0.46 0.34 112.91 115.06 1wac h THR 409 Ca 0.12 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 1wac h THR 409 Cb 0.06 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1wac h THR 409 CO -0.10 0.07 0.10 1.88 0.37 0.00 0.00 175.52 177.84 1wac h TYR 410 N 0.41 0.63 -0.49 3.16 0.05 0.19 -1.41 116.97 119.51 1wac h TYR 410 Ca 0.41 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 59.12 1wac h TYR 410 Cb 0.64 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 1wac h TYR 410 CO -0.18 0.61 0.32 1.25 -1.05 0.00 0.00 178.16 179.11 1wac h LEU 411 N 0.46 0.57 -1.34 3.88 5.85 0.23 -1.53 115.31 123.43 1wac h LEU 411 Ca 0.12 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1wac h LEU 411 Cb 0.30 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1wac h LEU 411 CO 0.00 0.43 0.14 0.58 -0.34 0.00 0.00 178.44 179.25 1wac h VAL 412 N 0.66 1.17 -0.56 1.05 2.07 -0.17 0.27 116.25 120.74 1wac h VAL 412 Ca 0.18 -0.55 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 1wac h VAL 412 Cb -0.06 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1wac h VAL 412 CO -0.04 0.21 0.18 -0.03 0.02 0.00 0.00 177.57 177.91 1wac h MET 413 N 0.58 0.86 -0.49 1.57 1.85 -0.49 0.51 114.93 119.32 1wac h MET 413 Ca 0.14 -0.18 -0.07 0.00 -0.61 0.00 0.00 59.70 58.98 1wac h MET 413 Cb 0.16 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 1wac h MET 413 CO -0.01 0.78 0.03 1.96 -0.40 0.00 0.00 176.91 179.27 1wac h GLN 414 N 0.78 0.84 -0.22 0.39 4.20 -0.33 0.59 115.11 121.35 1wac h GLN 414 Ca 0.18 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1wac h GLN 414 Cb 0.27 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1wac h GLN 414 CO -0.01 0.87 0.09 -0.07 -0.67 0.00 0.00 178.83 179.04 1wac h LEU 415 N 0.71 0.30 -0.14 1.46 3.38 -0.48 -0.10 115.31 120.44 1wac h LEU 415 Ca 0.14 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1wac h LEU 415 Cb 0.46 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1wac h LEU 415 CO 0.02 0.37 0.06 0.44 0.09 0.00 0.00 178.44 179.42 1wac h ASP 416 N 0.21 0.07 -0.20 -0.43 3.45 0.26 -2.95 116.42 116.84 1wac h ASP 416 Ca 0.07 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1wac h ASP 416 Cb 0.16 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 1wac h ASP 416 CO -0.01 0.06 0.00 1.41 -1.57 0.00 0.00 179.24 179.14 1wac n HIS 417 N -5.05 0.24 -0.20 4.55 8.25 0.18 -4.73 115.22 118.45 1wac n HIS 417 Ca -0.04 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1wac n HIS 417 Cb 0.05 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 1wac n HIS 417 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1wac n THR 418 N 1.26 0.00 -2.62 1.59 -2.24 -0.16 -4.58 114.28 107.54 1wac n THR 418 Ca 0.15 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.84 1wac n THR 418 Cb 0.55 0.18 0.03 0.00 -2.10 0.00 0.00 70.33 68.99 1wac n THR 418 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wac n ALA 419 N 0.00 3.47 0.29 6.98 0.00 -0.56 -3.92 120.51 126.78 1wac n ALA 419 Ca 0.00 -3.19 0.14 0.00 0.00 0.00 0.00 53.44 50.39 1wac n ALA 419 Cb 0.00 -0.77 0.76 0.00 0.00 0.00 0.00 19.45 19.44 1wac n ALA 419 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1wac h PRO 420 N 2.64 0.00 -0.20 0.00 0.13 -1.82 0.61 132.00 133.37 1wac h PRO 420 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wac h PRO 420 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1wac h PRO 420 CO 0.43 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.81 1wac n HIS 421 N -2.70 0.00 -0.01 1.56 1.44 -1.26 -2.25 115.22 112.01 1wac n HIS 421 Ca -0.02 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.70 1wac n HIS 421 Cb 0.30 -0.02 -0.02 0.00 0.12 0.00 0.00 29.99 30.37 1wac n HIS 421 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1wac n LEU 422 N -0.32 0.00 -0.39 2.39 4.77 0.21 -4.68 117.00 118.98 1wac n LEU 422 Ca 0.00 0.00 0.36 0.00 -0.03 0.00 0.00 56.01 56.34 1wac n LEU 422 Cb 0.05 0.02 0.73 0.00 -2.33 0.00 0.00 43.42 41.89 1wac n LEU 422 CO 0.00 0.02 1.33 0.78 -1.33 0.00 0.00 177.39 178.19 1wac h ASN 423 N 0.00 0.07 0.37 -1.43 2.35 -1.59 0.55 115.58 115.89 1wac h ASN 423 Ca -0.02 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wac h ASN 423 Cb 0.44 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1wac h ASN 423 CO 0.00 -0.00 0.00 -1.54 -1.65 0.00 0.00 177.43 174.24 1wac n SER 424 N -4.24 0.00 -0.55 5.81 3.41 -1.26 -1.59 113.62 115.20 1wac n SER 424 Ca 0.29 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.50 1wac n SER 424 Cb 1.33 -0.49 0.20 0.00 -0.26 0.00 0.00 64.21 64.99 1wac n SER 424 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1wac n ARG 425 N -1.49 1.47 -3.92 4.33 1.74 0.19 -4.59 116.66 114.40 1wac n ARG 425 Ca 0.03 -1.10 -0.29 0.00 -0.77 0.00 0.00 57.85 55.72 1wac n ARG 425 Cb 0.13 -1.48 -0.13 0.00 -1.02 0.00 0.00 32.46 29.96 1wac n ARG 425 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1wac s ILE 426 N -2.28 2.80 -0.38 0.55 1.01 -0.62 -4.37 121.20 117.91 1wac s ILE 426 Ca 0.26 -3.84 0.05 0.00 0.00 0.00 0.00 60.65 57.11 1wac s ILE 426 Cb 0.19 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.77 1wac s ILE 426 CO 0.45 -0.91 0.37 0.29 0.00 0.00 0.00 174.94 175.13 1wac n LYS 427 N 2.49 3.41 -3.85 2.79 5.02 -1.26 -4.90 118.16 121.86 1wac n LYS 427 Ca 0.13 -0.29 -0.03 0.00 -2.02 0.00 0.00 58.31 56.10 1wac n LYS 427 Cb 0.34 -0.86 0.01 0.00 -0.02 0.00 0.00 35.03 34.50 1wac n LYS 427 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1wac s ASP 428 N -1.09 -0.03 0.13 4.39 1.47 -1.26 -5.00 116.67 115.28 1wac s ASP 428 Ca 0.03 -0.57 -0.20 0.00 1.18 0.00 0.00 52.55 52.99 1wac s ASP 428 Cb 0.04 0.46 -0.03 0.00 -0.34 0.00 0.00 42.92 43.05 1wac s ASP 428 CO 0.15 -0.90 1.70 0.24 0.68 0.00 0.00 175.17 177.04 1wac h MET 429 N 2.00 -0.04 -0.01 2.11 2.86 -1.98 0.12 114.93 119.99 1wac h MET 429 Ca -0.27 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.39 1wac h MET 429 Cb 1.22 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.84 1wac h MET 429 CO 0.34 -0.03 -0.46 -1.35 1.06 0.00 0.00 176.91 176.47 1wac h PRO 430 N -0.04 -0.55 -0.77 -0.22 0.11 -1.99 0.91 132.00 129.46 1wac h PRO 430 Ca 0.10 0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.30 1wac h PRO 430 Cb 0.18 0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.36 1wac h PRO 430 CO -0.21 -0.37 0.46 0.66 -0.21 0.00 0.00 178.00 178.34 1wac h SER 431 N -0.57 0.73 -0.11 -2.05 4.64 -1.83 -0.84 113.55 113.53 1wac h SER 431 Ca 0.01 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1wac h SER 431 Cb 0.62 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 62.51 1wac h SER 431 CO -0.32 0.48 -0.27 0.00 -0.87 0.00 0.00 176.83 175.85 1wac h ALA 432 N 1.36 -0.29 0.33 5.18 0.00 0.36 0.38 119.26 126.58 1wac h ALA 432 Ca 0.33 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1wac h ALA 432 Cb 0.14 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1wac h ALA 432 CO -0.16 -0.74 -0.37 0.00 0.00 0.00 0.00 179.25 177.98 1wac h ARG 434 N -0.73 0.75 -0.22 0.00 3.08 -0.73 0.22 114.38 116.75 1wac h ARG 434 Ca -0.02 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1wac h ARG 434 Cb 0.67 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1wac h ARG 434 CO -0.09 0.49 0.10 0.35 -1.07 0.00 0.00 179.97 179.75 1wac h PHE 435 N 0.77 0.33 -0.27 3.04 3.57 0.34 -0.92 116.94 123.80 1wac h PHE 435 Ca 0.52 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.95 1wac h PHE 435 Cb 0.71 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.34 1wac h PHE 435 CO -0.04 0.34 -0.02 1.25 -2.23 0.00 0.00 178.31 177.62 1wac h LEU 436 N 0.22 0.48 -0.94 0.59 5.85 0.06 0.28 115.31 121.84 1wac h LEU 436 Ca 0.08 -0.33 0.14 0.00 0.84 0.00 0.00 57.88 58.61 1wac h LEU 436 Cb 0.15 -0.13 -0.09 0.00 0.37 0.00 0.00 40.66 40.96 1wac h LEU 436 CO -0.01 0.69 0.55 -0.78 -0.34 0.00 0.00 178.44 178.55 1wac h ASP 437 N 0.25 0.75 -0.12 1.25 1.82 -0.48 0.60 116.42 120.50 1wac h ASP 437 Ca 0.07 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.74 1wac h ASP 437 Cb 0.45 -0.07 -0.00 0.00 0.68 0.00 0.00 39.33 40.39 1wac h ASP 437 CO 0.02 0.35 -0.09 -1.28 -1.61 0.00 0.00 179.24 176.63 1wac h SER 438 N 0.81 0.29 0.06 2.28 0.87 -0.81 -2.84 113.55 114.21 1wac h SER 438 Ca 0.50 -0.46 0.03 0.00 -1.23 0.00 0.00 61.79 60.62 1wac h SER 438 Cb 0.62 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.46 1wac h SER 438 CO -0.32 0.68 -0.30 0.22 -0.53 0.00 0.00 176.83 176.59 1wac h TYR 439 N -0.11 -0.80 0.00 2.24 5.03 0.18 -2.02 116.97 121.48 1wac h TYR 439 Ca 0.02 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1wac h TYR 439 Cb 0.59 0.35 0.00 0.00 1.55 0.00 0.00 36.73 39.22 1wac h TYR 439 CO 0.08 -0.39 0.00 -1.49 -1.32 0.00 0.00 178.16 175.03 1wac h TRP 440 N -0.48 0.00 -0.13 -3.82 6.55 0.05 -1.92 115.95 116.21 1wac h TRP 440 Ca 0.05 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.89 1wac h TRP 440 Cb 0.54 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.84 1wac h TRP 440 CO -0.29 0.00 0.00 1.04 -1.05 0.00 0.00 178.44 178.14 1wac n GLN 441 N -2.89 1.71 -0.90 0.49 6.02 -0.78 -2.95 117.38 118.09 1wac n GLN 441 Ca -0.02 -1.06 0.00 0.00 -0.01 0.00 0.00 57.00 55.91 1wac n GLN 441 Cb 0.10 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 29.94 1wac n GLN 441 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wac n GLY 442 N 1.14 0.50 2.20 1.08 0.00 -0.72 -4.77 105.19 104.63 1wac n GLY 442 Ca 0.17 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 1wac n GLY 442 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1wac n HIS 443 N -2.90 2.98 -4.23 1.61 8.25 -1.12 -4.97 115.22 114.83 1wac n HIS 443 Ca 0.00 -1.98 -0.13 0.00 -0.26 0.00 0.00 57.72 55.35 1wac n HIS 443 Cb 0.00 -1.00 -0.10 0.00 1.12 0.00 0.00 29.99 30.01 1wac n HIS 443 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1wac s GLU 444 N -3.25 1.07 0.26 -0.41 0.41 -1.26 -4.87 118.70 110.66 1wac s GLU 444 Ca 0.56 -1.50 0.24 0.00 -0.41 0.00 0.00 54.97 53.86 1wac s GLU 444 Cb 0.47 -0.30 0.98 0.00 -1.78 0.00 0.00 34.13 33.50 1wac s GLU 444 CO 0.09 -0.10 1.73 -0.85 -0.49 0.00 0.00 175.26 175.64 1wac n GLU 445 N -0.22 0.21 -3.97 1.61 0.28 -1.26 -4.27 120.64 113.02 1wac n GLU 445 Ca -0.08 0.41 -0.35 0.00 -0.16 0.00 0.00 57.16 56.98 1wac n GLU 445 Cb 0.63 -1.88 -0.13 0.00 1.43 0.00 0.00 31.44 31.49 1wac n GLU 445 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1wac s ILE 446 N -3.31 3.95 0.36 3.84 -4.36 -1.26 -1.27 121.20 119.14 1wac s ILE 446 Ca 0.05 -0.31 0.09 0.00 -0.26 0.00 0.00 60.65 60.22 1wac s ILE 446 Cb 0.09 -2.80 -0.06 0.00 1.25 0.00 0.00 42.46 40.94 1wac s ILE 446 CO 0.41 0.41 -0.04 -0.13 0.24 0.00 0.00 174.94 175.83 1wac s ARG 447 N 1.22 1.92 -0.15 0.37 1.81 -0.45 -4.92 118.95 118.74 1wac s ARG 447 Ca 0.03 -1.92 -0.19 0.00 -1.72 0.00 0.00 55.73 51.93 1wac s ARG 447 Cb -0.15 -1.75 0.05 0.00 -0.45 0.00 0.00 34.95 32.65 1wac s ARG 447 CO 0.01 0.10 0.52 -1.14 -0.68 0.00 0.00 175.30 174.11 1wac s GLN 448 N -3.66 0.68 -0.06 3.54 0.74 -1.26 -0.38 119.66 119.26 1wac s GLN 448 Ca 0.34 0.55 0.01 0.00 0.05 0.00 0.00 55.36 56.31 1wac s GLN 448 Cb 0.03 0.33 0.02 0.00 1.10 0.00 0.00 33.01 34.49 1wac s GLN 448 CO 0.18 -0.12 -0.06 0.96 -0.55 0.00 0.00 175.29 175.69 1wac s ILE 449 N -0.13 0.71 0.36 -2.34 -4.36 -0.78 -4.10 121.20 110.57 1wac s ILE 449 Ca -0.03 -0.21 -0.17 0.00 -0.26 0.00 0.00 60.65 59.98 1wac s ILE 449 Cb -0.03 -0.71 0.05 0.00 1.25 0.00 0.00 42.46 43.02 1wac s ILE 449 CO 0.02 0.27 0.80 -0.94 0.24 0.00 0.00 174.94 175.34 1wac s SER 450 N 0.96 -0.02 -0.29 4.36 1.04 -0.38 -0.99 113.70 118.37 1wac s SER 450 Ca -0.10 -1.05 0.02 0.00 0.48 0.00 0.00 55.95 55.29 1wac s SER 450 Cb -0.14 0.81 0.20 0.00 0.10 0.00 0.00 66.02 66.98 1wac s SER 450 CO 0.00 -1.60 0.70 -0.75 0.98 0.00 0.00 173.24 172.57 1wac s LYS 451 N -2.46 0.46 3.44 4.02 2.20 0.16 -4.54 119.74 123.02 1wac s LYS 451 Ca 0.15 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 1wac s LYS 451 Cb -0.05 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 1wac s LYS 451 CO 0.10 -0.85 0.00 0.43 -0.36 0.00 0.00 175.35 174.67 1wac n SER 452 N 5.35 0.00 0.00 1.43 7.64 -1.26 -1.42 113.62 125.36 1wac n SER 452 Ca 0.06 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.96 1wac n SER 452 Cb 0.55 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.88 1wac n SER 452 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1wac n ASP 453 N 0.69 0.00 -4.37 6.43 3.85 -1.26 -4.54 116.55 117.35 1wac n ASP 453 Ca 0.00 -0.26 -0.34 0.00 -0.71 0.00 0.00 54.79 53.48 1wac n ASP 453 Cb 0.00 0.00 -0.14 0.00 -1.35 0.00 0.00 41.12 39.63 1wac n ASP 453 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1wac s ASP 454 N -1.94 4.34 0.14 -1.12 2.15 -0.50 -4.25 116.67 115.49 1wac s ASP 454 Ca 0.07 -0.31 -0.25 0.00 0.43 0.00 0.00 52.55 52.49 1wac s ASP 454 Cb 0.03 -1.71 0.06 0.00 -0.30 0.00 0.00 42.92 41.00 1wac s ASP 454 CO 0.05 0.08 0.85 0.00 -0.17 0.00 0.00 175.17 175.98 1wac s ALA 455 N 0.89 -1.60 -0.03 3.66 0.00 -1.26 0.37 121.76 123.79 1wac s ALA 455 Ca -0.01 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.24 1wac s ALA 455 Cb -0.15 0.66 0.02 0.00 0.00 0.00 0.00 23.12 23.65 1wac s ALA 455 CO 0.01 -0.93 -0.05 -1.64 0.00 0.00 0.00 175.76 173.15 1wac s MET 456 N -3.43 0.75 -0.13 0.00 -1.94 -0.17 -2.83 119.30 111.56 1wac s MET 456 Ca 0.09 -0.13 -0.06 0.00 -1.71 0.00 0.00 55.69 53.88 1wac s MET 456 Cb -0.02 -0.76 -0.04 0.00 2.01 0.00 0.00 34.83 36.02 1wac s MET 456 CO -0.01 -0.03 0.08 -0.51 -0.01 0.00 0.00 175.02 174.54 1wac s LEU 457 N 0.66 3.98 0.22 -0.03 1.43 0.17 -1.86 118.68 123.26 1wac s LEU 457 Ca -0.09 0.25 0.11 0.00 -1.03 0.00 0.00 54.13 53.37 1wac s LEU 457 Cb -0.12 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 1wac s LEU 457 CO 0.00 0.32 -0.20 -0.83 0.23 0.00 0.00 176.35 175.87 1wac s GLY 458 N -0.51 1.68 -0.02 -3.19 0.00 0.48 -0.83 107.32 104.93 1wac s GLY 458 Ca 0.11 -1.71 -0.01 0.00 0.00 0.00 0.00 44.72 43.11 1wac s GLY 458 CO 0.02 -1.77 0.05 -0.98 0.00 0.00 0.00 173.10 170.42 1wac s TRP 459 N -2.23 -0.03 0.48 1.90 0.51 -0.72 -1.34 118.94 117.51 1wac s TRP 459 Ca 0.24 0.15 0.05 0.00 -2.12 0.00 0.00 56.10 54.42 1wac s TRP 459 Cb -0.05 -0.09 0.05 0.00 -0.81 0.00 0.00 33.47 32.57 1wac s TRP 459 CO 0.11 -0.06 0.45 0.25 -0.51 0.00 0.00 176.95 177.19 1wac n THR 460 N 3.59 0.00 -2.14 2.01 -2.24 -0.40 0.83 114.28 115.93 1wac n THR 460 Ca -0.19 -1.81 -0.40 0.00 -2.27 0.00 0.00 64.05 59.37 1wac n THR 460 Cb 0.55 -0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.53 1wac n THR 460 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1wac s LYS 461 N -4.03 4.25 0.00 -0.78 -0.14 -1.26 -4.40 119.74 113.37 1wac s LYS 461 Ca 0.34 2.14 0.00 0.00 -1.36 0.00 0.00 55.97 57.09 1wac s LYS 461 Cb -0.03 -2.96 0.00 0.00 -1.68 0.00 0.00 37.83 33.16 1wac s LYS 461 CO 0.22 -0.25 0.00 0.41 -0.76 0.00 0.00 175.35 174.97 1wac n GLY 462 N 0.77 -1.69 0.22 -3.33 0.00 -1.26 -4.95 105.19 94.96 1wac n GLY 462 Ca 0.01 -1.20 -0.09 0.00 0.00 0.00 0.00 46.02 44.74 1wac n GLY 462 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wac h ARG 463 N 0.00 0.58 -0.15 1.61 3.08 -1.94 -3.13 114.38 114.43 1wac h ARG 463 Ca 0.00 -0.34 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 1wac h ARG 463 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1wac h ARG 463 CO 0.00 0.94 0.04 0.00 -1.07 0.00 0.00 179.97 179.88 1wac h ALA 464 N 1.00 1.79 -0.89 0.04 0.00 -1.91 -3.22 119.26 116.07 1wac h ALA 464 Ca 0.02 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.08 1wac h ALA 464 Cb 1.02 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 1wac h ALA 464 CO 0.09 0.17 0.37 1.25 0.00 0.00 0.00 179.25 181.14 1wac h LEU 465 N 0.21 0.30 -0.67 0.00 5.85 -1.75 0.48 115.31 119.73 1wac h LEU 465 Ca 0.05 0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.83 1wac h LEU 465 Cb 0.08 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1wac h LEU 465 CO -0.00 -0.01 -0.05 1.62 -0.34 0.00 0.00 178.44 179.66 1wac h VAL 466 N 0.38 1.26 -0.47 1.05 3.04 -1.77 -2.26 116.25 117.49 1wac h VAL 466 Ca 0.55 -1.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.05 1wac h VAL 466 Cb 1.04 0.89 -0.02 0.00 -2.01 0.00 0.00 31.29 31.19 1wac h VAL 466 CO -0.53 0.42 0.23 1.23 -1.01 0.00 0.00 177.57 177.91 1wac h GLY 467 N 0.98 0.72 -0.38 3.17 0.00 -0.62 -2.68 103.07 104.26 1wac h GLY 467 Ca 0.15 -0.35 0.12 0.00 0.00 0.00 0.00 47.33 47.25 1wac h GLY 467 CO 0.04 0.34 -0.25 -1.33 0.00 0.00 0.00 176.54 175.34 1wac h GLY 468 N 0.62 0.21 1.56 4.60 0.00 0.31 0.17 103.07 110.54 1wac h GLY 468 Ca 0.16 0.32 -0.00 0.00 0.00 0.00 0.00 47.33 47.81 1wac h GLY 468 CO -0.02 -0.24 0.27 0.45 0.00 0.00 0.00 176.54 177.00 1wac h HIS 469 N -0.08 0.56 -0.32 5.60 3.86 -1.11 0.13 115.15 123.79 1wac h HIS 469 Ca 0.28 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.45 1wac h HIS 469 Cb 0.52 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.79 1wac h HIS 469 CO -0.59 0.37 0.02 0.00 0.86 0.00 0.00 177.93 178.59 1wac h ARG 470 N 0.60 0.56 -0.27 2.45 3.08 -0.54 0.98 114.38 121.23 1wac h ARG 470 Ca 0.16 -0.17 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1wac h ARG 470 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1wac h ARG 470 CO -0.03 0.68 0.14 1.25 -1.07 0.00 0.00 179.97 180.93 1wac h LEU 471 N 0.36 0.21 -0.66 3.04 5.85 0.03 0.55 115.31 124.69 1wac h LEU 471 Ca 0.09 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1wac h LEU 471 Cb 0.41 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 1wac h LEU 471 CO 0.01 0.16 0.32 0.15 -0.34 0.00 0.00 178.44 178.74 1wac h PHE 472 N 0.29 0.57 -0.64 1.25 3.04 -0.48 -0.37 116.94 120.60 1wac h PHE 472 Ca 0.11 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1wac h PHE 472 Cb 0.03 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.35 1wac h PHE 472 CO -0.09 0.21 0.41 1.49 -2.02 0.00 0.00 178.31 178.31 1wac h GLU 473 N 0.56 0.86 0.26 1.11 4.57 0.13 -1.58 114.58 120.50 1wac h GLU 473 Ca 0.32 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1wac h GLU 473 Cb 0.33 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1wac h GLU 473 CO -0.26 0.59 -0.42 1.98 -1.18 0.00 0.00 179.01 179.73 1wac h MET 474 N 0.87 -0.72 -1.01 1.92 4.05 0.15 -1.02 114.93 119.17 1wac h MET 474 Ca 0.23 0.05 0.23 0.00 -0.28 0.00 0.00 59.70 59.93 1wac h MET 474 Cb -0.06 0.16 -0.12 0.00 -0.80 0.00 0.00 31.60 30.78 1wac h MET 474 CO -0.05 -0.48 0.61 -0.07 0.23 0.00 0.00 176.91 177.15 1wac h LEU 475 N -0.75 0.69 0.31 3.39 3.38 -0.75 -0.20 115.31 121.38 1wac h LEU 475 Ca -0.01 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1wac h LEU 475 Cb 0.71 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1wac h LEU 475 CO -0.16 0.16 -0.15 0.50 0.09 0.00 0.00 178.44 178.88 1wac h LYS 476 N 0.62 -0.40 -0.21 1.13 3.64 -0.22 -2.46 116.57 118.68 1wac h LYS 476 Ca 0.62 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 60.09 1wac h LYS 476 Cb 1.14 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1wac h LYS 476 CO -0.43 -0.18 0.17 0.93 -2.27 0.00 0.00 179.45 177.67 1wac h GLU 477 N -0.56 0.00 -6.71 1.90 5.08 -0.33 -3.46 114.58 110.50 1wac h GLU 477 Ca -0.04 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.77 1wac h GLU 477 Cb 0.41 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.48 1wac h GLU 477 CO 0.07 0.00 -0.84 0.41 -1.00 0.00 0.00 179.01 177.65 1wac n GLY 478 N -1.52 -0.42 0.01 -3.84 0.00 -0.20 -4.81 105.19 94.41 1wac n GLY 478 Ca 0.02 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1wac n GLY 478 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wac n LYS 479 N -4.40 0.62 -4.47 1.61 5.02 -1.26 -4.94 118.16 110.32 1wac n LYS 479 Ca 0.03 -0.13 -0.22 0.00 -2.02 0.00 0.00 58.31 55.96 1wac n LYS 479 Cb 0.52 -1.37 -0.16 0.00 -0.02 0.00 0.00 35.03 34.00 1wac n LYS 479 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wac s VAL 480 N -3.06 0.93 -0.21 -0.18 1.01 -1.26 -5.10 120.40 112.52 1wac s VAL 480 Ca -0.05 -0.41 -0.27 0.00 0.00 0.00 0.00 61.98 61.25 1wac s VAL 480 Cb 0.11 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 1wac s VAL 480 CO 0.67 0.29 0.93 0.21 0.00 0.00 0.00 175.10 177.20 1wac s ASN 481 N 0.37 7.00 0.00 3.32 2.47 -1.26 -4.83 114.94 122.00 1wac s ASN 481 Ca -0.07 1.24 0.23 0.00 0.42 0.00 0.00 52.86 54.68 1wac s ASN 481 Cb -0.11 -2.49 1.20 0.00 -1.45 0.00 0.00 41.25 38.40 1wac s ASN 481 CO 0.01 -0.54 1.77 -0.81 -3.72 0.00 0.00 177.10 173.81 1wac n PRO 482 N 5.87 0.38 -4.35 0.43 -0.04 -1.26 -4.80 135.00 131.23 1wac n PRO 482 Ca 0.08 0.06 -0.26 0.00 -0.04 0.00 0.00 63.50 63.34 1wac n PRO 482 Cb 0.47 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.31 1wac n PRO 482 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wac s SER 483 N -2.50 2.88 0.00 3.54 0.15 -1.26 -4.84 113.70 111.67 1wac s SER 483 Ca 0.24 -0.71 0.25 0.00 0.70 0.00 0.00 55.95 56.43 1wac s SER 483 Cb 0.16 -0.18 0.73 0.00 -1.71 0.00 0.00 66.02 65.01 1wac s SER 483 CO 0.34 0.12 1.56 -0.81 1.20 0.00 0.00 173.24 175.65 1wac n PRO 484 N 1.04 1.92 -0.07 5.44 -0.04 -1.26 -4.48 135.00 137.55 1wac n PRO 484 Ca -0.19 -1.35 -0.10 0.00 -0.04 0.00 0.00 63.50 61.82 1wac n PRO 484 Cb 0.53 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 1wac n PRO 484 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1wac n TYR 485 N 0.61 0.00 -4.15 0.54 4.01 -1.26 0.75 117.16 117.66 1wac n TYR 485 Ca 0.17 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.79 1wac n TYR 485 Cb 0.43 -0.57 -0.08 0.00 -0.31 0.00 0.00 39.34 38.81 1wac n TYR 485 CO 0.00 0.00 0.00 -1.64 -0.46 0.00 0.00 176.86 174.76 1wac s MET 486 N -2.30 1.45 -0.54 -0.72 -1.94 -1.26 -4.65 119.30 109.35 1wac s MET 486 Ca -0.20 -1.62 -0.21 0.00 -1.71 0.00 0.00 55.69 51.95 1wac s MET 486 Cb 0.05 0.35 0.06 0.00 2.01 0.00 0.00 34.83 37.30 1wac s MET 486 CO 0.34 -0.54 0.76 0.15 -0.01 0.00 0.00 175.02 175.72 1wac s LYS 487 N -3.88 3.17 -0.01 2.03 1.02 -1.26 -4.45 119.74 116.36 1wac s LYS 487 Ca 0.34 -0.75 0.01 0.00 0.02 0.00 0.00 55.97 55.60 1wac s LYS 487 Cb 0.04 -4.11 -0.04 0.00 -0.52 0.00 0.00 37.83 33.20 1wac s LYS 487 CO 0.15 -1.39 0.01 0.42 -0.92 0.00 0.00 175.35 173.61 1wac s ILE 488 N 3.16 4.20 0.00 2.17 -1.09 -1.26 -2.14 121.20 126.25 1wac s ILE 488 Ca 0.20 -0.57 0.00 0.00 -2.23 0.00 0.00 60.65 58.05 1wac s ILE 488 Cb -0.18 -2.87 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 1wac s ILE 488 CO 0.13 0.39 0.00 -1.54 -1.23 0.00 0.00 174.94 172.69 1wac n SER 489 N 1.41 0.00 -4.90 3.58 3.41 0.01 -4.57 113.62 112.57 1wac n SER 489 Ca -0.15 -0.79 -0.27 0.00 -0.26 0.00 0.00 58.87 57.41 1wac n SER 489 Cb 0.53 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 1wac n SER 489 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1wac s TYR 490 N -4.17 3.39 -0.13 7.33 1.13 -1.26 -0.94 117.35 122.70 1wac s TYR 490 Ca 0.00 0.10 -0.29 0.00 -1.41 0.00 0.00 57.07 55.47 1wac s TYR 490 Cb 0.00 -1.64 -0.01 0.00 -1.10 0.00 0.00 41.96 39.21 1wac s TYR 490 CO 0.00 0.53 1.04 -2.00 -2.51 0.00 0.00 175.55 172.61 1wac s GLU 491 N -3.05 4.37 -0.57 -3.49 2.12 0.16 -4.61 118.70 113.63 1wac s GLU 491 Ca 0.33 1.42 -0.25 0.00 0.36 0.00 0.00 54.97 56.83 1wac s GLU 491 Cb -0.11 -3.57 0.04 0.00 0.26 0.00 0.00 34.13 30.75 1wac s GLU 491 CO 0.27 -0.41 1.02 -1.58 -0.54 0.00 0.00 175.26 174.02 1wac s HIS 492 N 2.35 2.72 0.00 5.30 5.65 -1.26 -2.97 115.29 127.06 1wac s HIS 492 Ca 0.48 0.08 0.00 0.00 0.25 0.00 0.00 55.06 55.87 1wac s HIS 492 Cb -0.18 -4.23 0.00 0.00 -1.18 0.00 0.00 32.58 26.99 1wac s HIS 492 CO 0.15 -1.46 0.00 0.41 -0.65 0.00 0.00 174.74 173.20 1wac n GLY 493 N 5.12 0.72 3.76 1.59 0.00 0.34 -4.98 105.19 111.75 1wac n GLY 493 Ca 0.03 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 1wac n GLY 493 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wac s GLY 494 N -2.31 2.90 0.14 -0.02 0.00 0.05 -4.92 107.32 103.15 1wac s GLY 494 Ca 0.00 1.25 -0.19 0.00 0.00 0.00 0.00 44.72 45.78 1wac s GLY 494 CO 0.00 1.81 0.48 0.00 0.00 0.00 0.00 173.10 175.39 1wac s ALA 495 N -1.29 -1.18 -0.07 3.20 0.00 -1.26 -3.53 121.76 117.63 1wac s ALA 495 Ca 0.60 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1wac s ALA 495 Cb -0.38 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1wac s ALA 495 CO 0.48 -0.69 -0.05 0.12 0.00 0.00 0.00 175.76 175.62 1wac s PHE 496 N -3.78 0.99 -1.45 0.00 5.36 -0.46 -4.79 117.98 113.84 1wac s PHE 496 Ca 0.02 -0.36 -0.11 0.00 -0.96 0.00 0.00 56.93 55.53 1wac s PHE 496 Cb 0.01 -0.88 0.05 0.00 -0.34 0.00 0.00 43.02 41.86 1wac s PHE 496 CO -0.12 -0.31 1.02 1.28 -1.46 0.00 0.00 175.22 175.63 1wac n LEU 497 N 4.47 -2.90 0.00 6.12 4.32 -1.26 -2.06 117.00 125.70 1wac n LEU 497 Ca -0.18 -0.71 0.00 0.00 -0.02 0.00 0.00 56.01 55.11 1wac n LEU 497 Cb 0.51 -2.73 0.00 0.00 -1.62 0.00 0.00 43.42 39.58 1wac n LEU 497 CO 0.19 0.52 0.00 0.61 -1.22 0.00 0.00 177.39 177.49 1wac n GLY 498 N -1.76 2.53 3.84 -0.72 0.00 -1.26 -5.01 105.19 102.80 1wac n GLY 498 Ca -0.01 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 1wac n GLY 498 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wac s ASP 499 N 0.33 6.87 -0.01 1.61 1.01 -0.87 -4.02 116.67 121.59 1wac s ASP 499 Ca 0.00 1.22 -0.15 0.00 0.71 0.00 0.00 52.55 54.33 1wac s ASP 499 Cb 0.00 -2.34 -0.06 0.00 1.01 0.00 0.00 42.92 41.53 1wac s ASP 499 CO 0.00 -0.01 0.42 -0.63 0.21 0.00 0.00 175.17 175.16 1wac s ILE 500 N -1.64 5.03 -0.59 0.77 1.01 0.13 -1.35 121.20 124.57 1wac s ILE 500 Ca 0.44 0.86 -0.20 0.00 0.00 0.00 0.00 60.65 61.74 1wac s ILE 500 Cb -0.14 -3.72 0.08 0.00 0.01 0.00 0.00 42.46 38.68 1wac s ILE 500 CO 0.20 0.56 0.78 -0.22 0.00 0.00 0.00 174.94 176.25 1wac s LEU 501 N -0.92 4.92 -0.58 2.97 2.96 -1.23 -0.33 118.68 126.46 1wac s LEU 501 Ca 0.24 -1.10 -0.22 0.00 -0.22 0.00 0.00 54.13 52.82 1wac s LEU 501 Cb -0.17 -2.41 0.06 0.00 0.50 0.00 0.00 46.19 44.17 1wac s LEU 501 CO 0.13 -1.16 0.86 -0.22 -1.32 0.00 0.00 176.35 174.65 1wac s LEU 502 N 3.15 4.48 0.72 -0.68 2.96 -0.15 -4.12 118.68 125.03 1wac s LEU 502 Ca 0.17 -0.77 -0.09 0.00 -0.22 0.00 0.00 54.13 53.21 1wac s LEU 502 Cb -0.20 -2.57 0.05 0.00 0.50 0.00 0.00 46.19 43.97 1wac s LEU 502 CO 0.10 -1.22 1.07 -0.31 -1.32 0.00 0.00 176.35 174.66 1wac s TYR 503 N 3.61 3.09 0.32 5.38 2.02 -0.40 -2.16 117.35 129.21 1wac s TYR 503 Ca 0.23 0.73 0.01 0.00 -0.37 0.00 0.00 57.07 57.67 1wac s TYR 503 Cb -0.16 -3.18 0.01 0.00 -0.40 0.00 0.00 41.96 38.23 1wac s TYR 503 CO 0.14 -1.36 0.07 -0.40 -1.57 0.00 0.00 175.55 172.42 1wac n ASP 504 N -3.01 2.66 0.18 2.29 5.75 -1.26 -4.31 116.55 118.86 1wac n ASP 504 Ca 0.07 -2.31 0.18 0.00 -0.01 0.00 0.00 54.79 52.72 1wac n ASP 504 Cb 0.59 0.15 0.81 0.00 -1.03 0.00 0.00 41.12 41.65 1wac n ASP 504 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1wac h SER 505 N 0.66 0.00 -0.23 -1.12 4.64 -1.99 0.29 113.55 115.80 1wac h SER 505 Ca -0.25 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.96 1wac h SER 505 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1wac h SER 505 CO 0.41 0.00 -0.25 0.03 -0.87 0.00 0.00 176.83 176.15 1wac h ARG 506 N 0.00 0.70 -5.30 4.77 2.47 -1.94 -3.47 114.38 111.61 1wac h ARG 506 Ca 0.11 -0.29 -0.27 0.00 -1.26 0.00 0.00 59.98 58.28 1wac h ARG 506 Cb 0.67 -0.03 0.17 0.00 -1.65 0.00 0.00 29.97 29.12 1wac h ARG 506 CO -0.00 0.88 -0.74 0.54 0.56 0.00 0.00 179.97 181.21 1wac n ARG 507 N -4.11 -4.18 -3.86 0.04 5.12 0.10 -5.03 116.66 104.75 1wac n ARG 507 Ca -0.00 0.79 -0.12 0.00 -1.93 0.00 0.00 57.85 56.59 1wac n ARG 507 Cb 0.44 -5.53 -0.12 0.00 -1.16 0.00 0.00 32.46 26.09 1wac n ARG 507 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1wac s GLU 508 N -4.79 0.29 0.36 5.56 2.02 -1.26 -5.00 118.70 115.88 1wac s GLU 508 Ca 0.20 -0.09 0.16 0.00 0.02 0.00 0.00 54.97 55.26 1wac s GLU 508 Cb -0.03 0.12 1.09 0.00 0.10 0.00 0.00 34.13 35.42 1wac s GLU 508 CO 0.67 -0.06 1.70 -1.35 0.02 0.00 0.00 175.26 176.24 1wac h PRO 509 N 5.22 0.36 -0.90 0.39 0.11 -1.80 -1.98 132.00 133.40 1wac h PRO 509 Ca -0.28 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 65.99 1wac h PRO 509 Cb 1.20 -0.08 -0.17 0.00 0.11 0.00 0.00 31.00 32.06 1wac h PRO 509 CO 0.42 0.24 -0.24 0.78 -0.21 0.00 0.00 178.00 178.99 1wac h GLY 510 N 0.37 0.61 -3.61 -0.55 0.00 -1.70 -1.05 103.07 97.13 1wac h GLY 510 Ca 0.70 0.31 -0.55 0.00 0.00 0.00 0.00 47.33 47.79 1wac h GLY 510 CO -0.49 -0.33 0.03 -1.14 0.00 0.00 0.00 176.54 174.61 1wac n SER 511 N -5.57 5.62 -4.71 0.19 3.41 -0.75 -4.87 113.62 106.95 1wac n SER 511 Ca 0.13 -3.77 -0.25 0.00 -0.26 0.00 0.00 58.87 54.72 1wac n SER 511 Cb 0.45 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.67 1wac n SER 511 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wac s ALA 512 N -3.63 3.31 0.01 7.33 0.00 -0.40 -4.02 121.76 124.36 1wac s ALA 512 Ca 0.56 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1wac s ALA 512 Cb 0.45 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 1wac s ALA 512 CO 0.02 0.42 -0.02 0.96 0.00 0.00 0.00 175.76 177.14 1wac s ILE 513 N -1.87 0.11 0.21 0.00 -4.36 -0.92 -4.91 121.20 109.46 1wac s ILE 513 Ca 0.29 -0.35 -0.29 0.00 -0.26 0.00 0.00 60.65 60.04 1wac s ILE 513 Cb -0.09 -0.15 -0.08 0.00 1.25 0.00 0.00 42.46 43.39 1wac s ILE 513 CO 0.20 -0.15 0.92 -0.36 0.24 0.00 0.00 174.94 175.79 1wac s PHE 514 N -0.51 3.95 0.04 1.37 2.99 -1.26 -0.98 117.98 123.59 1wac s PHE 514 Ca -0.05 1.86 -0.05 0.00 0.00 0.00 0.00 56.93 58.69 1wac s PHE 514 Cb -0.04 -2.96 -0.01 0.00 0.00 0.00 0.00 43.02 40.01 1wac s PHE 514 CO -0.00 0.43 0.09 0.14 -0.00 0.00 0.00 175.22 175.88 1wac s VAL 515 N -1.01 0.14 0.92 -0.44 -7.23 0.55 -4.92 120.40 108.42 1wac s VAL 515 Ca 0.41 -1.17 -0.11 0.00 -1.81 0.00 0.00 61.98 59.30 1wac s VAL 515 Cb -0.25 -0.99 0.12 0.00 0.56 0.00 0.00 36.38 35.82 1wac s VAL 515 CO 0.31 -0.65 0.99 0.61 -0.31 0.00 0.00 175.10 176.05 1wac n GLY 516 N 0.64 -0.72 3.39 2.32 0.00 -1.25 0.19 105.19 109.75 1wac n GLY 516 Ca -0.18 -0.72 -0.45 0.00 0.00 0.00 0.00 46.02 44.66 1wac n GLY 516 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wac s ASN 517 N -2.50 6.78 0.26 1.61 3.84 -1.26 -4.51 114.94 119.16 1wac s ASN 517 Ca 0.65 -2.53 -0.01 0.00 0.21 0.00 0.00 52.86 51.18 1wac s ASN 517 Cb -0.23 -2.30 0.59 0.00 -0.55 0.00 0.00 41.25 38.77 1wac s ASN 517 CO 0.60 -0.75 1.36 0.00 -2.79 0.00 0.00 177.10 175.52 1wac n ILE 518 N 4.51 -0.37 -0.15 -5.21 0.13 -1.26 0.17 119.36 117.18 1wac n ILE 518 Ca 0.20 1.93 0.18 0.00 -1.10 0.00 0.00 62.75 63.96 1wac n ILE 518 Cb 0.47 -2.78 0.55 0.00 -0.84 0.00 0.00 39.64 37.04 1wac n ILE 518 CO 0.00 0.00 0.00 0.78 2.80 0.00 0.00 176.55 180.13 1wac h ASN 519 N 0.00 0.30 0.43 9.51 2.35 -1.93 -0.66 115.58 125.59 1wac h ASN 519 Ca 0.50 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 56.18 1wac h ASN 519 Cb 0.97 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 1wac h ASN 519 CO -0.84 0.15 -0.40 0.28 -1.65 0.00 0.00 177.43 174.97 1wac h SER 520 N 0.32 0.00 -0.27 5.81 0.02 0.13 -1.72 113.55 117.83 1wac h SER 520 Ca 0.37 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.29 1wac h SER 520 Cb 0.99 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1wac h SER 520 CO -0.10 0.40 0.05 -0.03 -1.14 0.00 0.00 176.83 176.01 1wac h MET 521 N 0.00 0.45 -0.24 3.45 1.85 -1.09 -0.74 114.93 118.62 1wac h MET 521 Ca -0.00 -0.12 -0.05 0.00 -0.61 0.00 0.00 59.70 58.92 1wac h MET 521 Cb 0.72 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.69 1wac h MET 521 CO 0.05 0.56 -0.05 -0.07 -0.40 0.00 0.00 176.91 177.01 1wac h LEU 522 N 0.27 0.45 0.30 3.39 3.38 -1.51 -0.00 115.31 121.59 1wac h LEU 522 Ca 0.08 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1wac h LEU 522 Cb 0.33 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1wac h LEU 522 CO 0.00 0.71 -0.39 0.78 0.09 0.00 0.00 178.44 179.63 1wac h ASN 523 N 0.19 -1.09 -0.76 -0.43 2.35 -1.31 0.21 115.58 114.74 1wac h ASN 523 Ca 0.06 0.10 0.15 0.00 -0.55 0.00 0.00 56.30 56.06 1wac h ASN 523 Cb 0.50 0.38 -0.10 0.00 0.05 0.00 0.00 38.32 39.16 1wac h ASN 523 CO 0.02 -0.52 0.30 0.78 -1.65 0.00 0.00 177.43 176.36 1wac h ASN 524 N -0.75 0.27 0.99 5.81 -0.26 -1.05 0.80 115.58 121.39 1wac h ASN 524 Ca -0.01 0.11 -0.21 0.00 -0.56 0.00 0.00 56.30 55.63 1wac h ASN 524 Cb 0.70 0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 38.02 1wac h ASN 524 CO -0.12 0.09 -0.98 1.56 -1.06 0.00 0.00 177.43 176.93 1wac h GLN 525 N 0.43 0.00 -0.00 0.81 4.20 -0.59 -3.36 115.11 116.60 1wac h GLN 525 Ca 0.42 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.13 1wac h GLN 525 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1wac h GLN 525 CO -0.42 0.98 -0.11 1.19 -0.67 0.00 0.00 178.83 179.81 1wac n PHE 526 N -3.37 0.00 -3.14 2.96 3.01 0.72 -4.73 117.46 112.90 1wac n PHE 526 Ca -0.00 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.23 1wac n PHE 526 Cb 0.92 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.35 1wac n PHE 526 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1wac n SER 527 N -0.77 2.07 -4.78 4.37 7.64 0.27 -5.03 113.62 117.40 1wac n SER 527 Ca 0.01 -3.20 -0.33 0.00 1.01 0.00 0.00 58.87 56.36 1wac n SER 527 Cb 0.05 -0.61 0.03 0.00 -1.01 0.00 0.00 64.21 62.67 1wac n SER 527 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1wac s PRO 528 N -2.53 3.04 0.44 1.43 0.04 -1.24 -4.57 135.00 131.60 1wac s PRO 528 Ca 0.42 1.41 0.24 0.00 0.04 0.00 0.00 61.00 63.10 1wac s PRO 528 Cb 0.28 -1.98 0.55 0.00 0.04 0.00 0.00 34.50 33.39 1wac s PRO 528 CO -0.09 -1.06 1.68 1.49 0.04 0.00 0.00 177.00 179.05 1wac h GLU 529 N 0.40 0.00 -4.11 4.56 4.22 -1.92 -3.45 114.58 114.27 1wac h GLU 529 Ca -0.48 0.00 -0.20 0.00 0.08 0.00 0.00 59.36 58.77 1wac h GLU 529 Cb 1.24 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.28 1wac h GLU 529 CO 0.55 0.10 -0.71 0.71 -2.18 0.00 0.00 179.01 177.49 1wac s TYR 530 N -3.30 0.35 0.43 0.92 1.51 -1.26 -4.72 117.35 111.28 1wac s TYR 530 Ca 0.05 -0.51 -0.07 0.00 -1.01 0.00 0.00 57.07 55.53 1wac s TYR 530 Cb 0.07 -0.24 0.11 0.00 -0.11 0.00 0.00 41.96 41.79 1wac s TYR 530 CO 0.65 -0.16 0.42 0.41 -1.11 0.00 0.00 175.55 175.77 1wac n GLY 531 N 1.62 -2.28 0.61 0.71 0.00 -1.26 -4.87 105.19 99.71 1wac n GLY 531 Ca -0.23 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.41 1wac n GLY 531 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1wac n VAL 532 N -3.22 0.02 -3.93 1.61 0.24 -0.64 -4.59 118.33 107.82 1wac n VAL 532 Ca 0.06 -0.32 -0.37 0.00 -2.04 0.00 0.00 64.34 61.67 1wac n VAL 532 Cb 0.22 0.74 0.01 0.00 -1.47 0.00 0.00 33.84 33.34 1wac n VAL 532 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wac n GLN 533 N 0.48 -0.82 0.28 7.34 6.02 -1.26 -4.79 117.38 124.62 1wac n GLN 533 Ca 0.18 0.39 0.16 0.00 -0.01 0.00 0.00 57.00 57.72 1wac n GLN 533 Cb 0.42 -2.55 0.71 0.00 1.02 0.00 0.00 30.24 29.84 1wac n GLN 533 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1wac h SER 534 N -1.61 0.00 0.40 1.08 4.64 -1.96 -2.21 113.55 113.89 1wac h SER 534 Ca -0.67 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 1wac h SER 534 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 1wac h SER 534 CO 0.45 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.07 1wac n GLY 535 N -0.13 -0.92 3.62 -0.77 0.00 -1.26 -4.62 105.19 101.11 1wac n GLY 535 Ca -0.00 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1wac n GLY 535 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wac s VAL 536 N -2.67 5.24 -0.00 1.61 1.01 -0.83 -5.00 120.40 119.75 1wac s VAL 536 Ca 0.15 0.43 -0.20 0.00 0.00 0.00 0.00 61.98 62.36 1wac s VAL 536 Cb 0.12 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 1wac s VAL 536 CO 0.28 0.23 0.90 0.03 0.00 0.00 0.00 175.10 176.54 1wac h ARG 537 N 7.96 -0.71 -6.28 2.72 2.47 -1.88 -3.41 114.38 115.26 1wac h ARG 537 Ca -0.34 0.05 -0.57 0.00 -1.26 0.00 0.00 59.98 57.86 1wac h ARG 537 Cb 1.17 0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 29.63 1wac h ARG 537 CO 0.64 -0.47 1.21 0.34 0.56 0.00 0.00 179.97 182.24 1wac s ASP 538 N -4.41 6.13 0.23 7.04 -1.08 -1.26 -4.86 116.67 118.47 1wac s ASP 538 Ca -0.11 1.50 -0.00 0.00 -0.52 0.00 0.00 52.55 53.42 1wac s ASP 538 Cb 0.01 -2.53 0.26 0.00 -1.46 0.00 0.00 42.92 39.20 1wac s ASP 538 CO 0.32 -1.48 1.62 0.03 0.52 0.00 0.00 175.17 176.18 1wac h ARG 539 N 11.84 0.54 -0.22 4.34 3.08 -1.92 -2.18 114.38 129.86 1wac h ARG 539 Ca -0.34 -0.26 0.06 0.00 0.07 0.00 0.00 59.98 59.51 1wac h ARG 539 Cb 1.16 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1wac h ARG 539 CO 1.01 0.83 0.30 0.66 -1.07 0.00 0.00 179.97 181.71 1wac h SER 540 N 0.45 0.00 1.20 7.04 4.64 -1.89 0.48 113.55 125.47 1wac h SER 540 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1wac h SER 540 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1wac h SER 540 CO 0.07 0.00 -0.38 0.11 -0.87 0.00 0.00 176.83 175.76 1wac h LYS 541 N 0.00 0.00 -7.26 4.77 1.57 -1.65 -3.43 116.57 110.57 1wac h LYS 541 Ca 0.10 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.37 1wac h LYS 541 Cb 0.71 0.00 0.12 0.00 0.08 0.00 0.00 32.23 33.14 1wac h LYS 541 CO -0.00 0.00 0.34 1.03 -0.57 0.00 0.00 179.45 180.25 1wac s ARG 542 N -3.17 2.50 0.21 3.15 0.52 0.17 -4.77 118.95 117.56 1wac s ARG 542 Ca 0.07 1.28 -0.04 0.00 -0.52 0.00 0.00 55.73 56.53 1wac s ARG 542 Cb 0.12 -1.92 0.16 0.00 0.52 0.00 0.00 34.95 33.83 1wac s ARG 542 CO 0.68 -1.47 1.58 0.87 0.02 0.00 0.00 175.30 176.98 1wac h LYS 543 N -0.58 0.67 -3.20 3.54 1.79 -1.89 -3.33 116.57 113.57 1wac h LYS 543 Ca -0.45 -0.33 -0.63 0.00 -2.18 0.00 0.00 60.65 57.06 1wac h LYS 543 Cb 1.24 0.00 -0.42 0.00 -1.58 0.00 0.00 32.23 31.47 1wac h LYS 543 CO 0.53 0.93 -0.60 1.03 -1.08 0.00 0.00 179.45 180.26 1wac s ARG 544 N -4.33 2.27 0.16 3.15 0.52 -1.26 -4.36 118.95 115.10 1wac s ARG 544 Ca -0.08 -3.07 -0.16 0.00 -0.52 0.00 0.00 55.73 51.90 1wac s ARG 544 Cb 0.12 -3.37 0.08 0.00 0.52 0.00 0.00 34.95 32.30 1wac s ARG 544 CO 0.84 -1.22 1.70 -1.35 0.02 0.00 0.00 175.30 175.29 1wac h PRO 545 N 5.82 0.11 -1.95 3.54 0.11 -1.68 -3.37 132.00 134.58 1wac h PRO 545 Ca 0.06 -0.01 -0.54 0.00 0.11 0.00 0.00 66.00 65.62 1wac h PRO 545 Cb 0.81 -0.02 -0.39 0.00 0.11 0.00 0.00 31.00 31.51 1wac h PRO 545 CO 0.71 0.07 -1.11 1.19 -0.21 0.00 0.00 178.00 178.65 1wac n PHE 546 N -5.17 -0.37 -0.06 0.65 3.01 0.34 -4.91 117.46 110.94 1wac n PHE 546 Ca 0.02 -3.55 -0.02 0.00 1.01 0.00 0.00 57.45 54.91 1wac n PHE 546 Cb 0.19 -0.31 -0.01 0.00 -0.01 0.00 0.00 39.48 39.33 1wac n PHE 546 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 1wac n PRO 547 N 1.26 -0.06 -0.41 -1.08 -0.02 -1.26 -1.01 135.00 132.43 1wac n PRO 547 Ca 0.21 0.91 0.34 0.00 -2.02 0.00 0.00 63.50 62.94 1wac n PRO 547 Cb 0.55 -1.35 0.58 0.00 -0.02 0.00 0.00 33.50 33.26 1wac n PRO 547 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wac n GLY 548 N -1.03 -0.72 0.35 -1.23 0.00 -1.26 -1.11 105.19 100.18 1wac n GLY 548 Ca 0.00 0.65 0.18 0.00 0.00 0.00 0.00 46.02 46.85 1wac n GLY 548 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wac h LEU 549 N 0.00 0.00 -0.64 0.99 3.38 -1.35 -2.04 115.31 115.65 1wac h LEU 549 Ca 0.75 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.68 1wac h LEU 549 Cb 2.43 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 43.15 1wac h LEU 549 CO -0.39 0.00 0.23 0.00 0.09 0.00 0.00 178.44 178.36 1wac h ALA 550 N 1.57 0.83 -0.90 1.53 0.00 -1.29 -2.47 119.26 118.54 1wac h ALA 550 Ca 0.05 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 55.01 1wac h ALA 550 Cb 0.59 -0.25 -0.14 0.00 0.00 0.00 0.00 17.79 17.99 1wac h ALA 550 CO -0.00 0.48 0.31 2.35 0.00 0.00 0.00 179.25 182.39 1wac h TRP 551 N 0.91 0.48 -0.09 0.00 2.91 -1.58 0.19 115.95 118.77 1wac h TRP 551 Ca 0.21 0.05 0.03 0.00 1.13 0.00 0.00 58.89 60.31 1wac h TRP 551 Cb 0.25 -0.07 -0.03 0.00 -0.51 0.00 0.00 29.16 28.80 1wac h TRP 551 CO 0.02 -0.18 -0.11 0.00 -1.03 0.00 0.00 178.44 177.14 1wac h ALA 552 N 1.78 -0.05 0.00 2.65 0.00 -1.61 -2.82 119.26 119.22 1wac h ALA 552 Ca 0.58 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.53 1wac h ALA 552 Cb 1.18 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1wac h ALA 552 CO -0.63 -0.58 0.00 0.66 0.00 0.00 0.00 179.25 178.71 1wac h SER 553 N -0.15 0.00 0.00 0.00 4.64 -1.06 -3.40 113.55 113.58 1wac h SER 553 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1wac h SER 553 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1wac h SER 553 CO -0.18 0.00 0.00 0.80 -0.87 0.00 0.00 176.83 176.58 1wac n MET 554 N -2.96 0.00 -0.22 4.77 0.00 0.49 -0.25 117.12 118.94 1wac n MET 554 Ca 0.04 0.82 0.22 0.00 0.00 0.00 0.00 57.70 58.79 1wac n MET 554 Cb 0.49 -1.24 0.59 0.00 0.00 0.00 0.00 33.22 33.06 1wac n MET 554 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1wac h LYS 555 N 0.00 0.25 -0.55 2.12 3.64 -1.78 0.30 116.57 120.56 1wac h LYS 555 Ca 0.00 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1wac h LYS 555 Cb 0.00 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1wac h LYS 555 CO 0.00 0.17 -0.10 0.22 -2.27 0.00 0.00 179.45 177.47 1wac h ASP 556 N 0.26 1.03 0.15 4.20 1.82 -0.88 0.31 116.42 123.32 1wac h ASP 556 Ca 0.46 -0.35 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 1wac h ASP 556 Cb 1.36 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 41.09 1wac h ASP 556 CO -0.13 1.14 -0.07 0.74 -1.61 0.00 0.00 179.24 179.31 1wac h THR 557 N 0.91 0.51 -0.37 2.25 2.02 0.12 -3.38 112.91 114.98 1wac h THR 557 Ca 0.14 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1wac h THR 557 Cb 0.67 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1wac h THR 557 CO 0.05 0.15 0.00 -1.22 0.37 0.00 0.00 175.52 174.87 1wac n TYR 558 N -4.89 0.47 -0.26 3.16 4.02 0.36 -3.80 117.16 116.22 1wac n TYR 558 Ca -0.05 -0.23 0.04 0.00 -0.01 0.00 0.00 57.90 57.64 1wac n TYR 558 Cb 0.20 0.00 0.17 0.00 -0.02 0.00 0.00 39.34 39.69 1wac n TYR 558 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1wac h GLY 559 N 4.57 1.15 0.07 2.72 0.00 -0.47 -1.16 103.07 109.94 1wac h GLY 559 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1wac h GLY 559 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 176.54 176.52 1wac n ALA 560 N -2.46 2.46 -2.29 3.60 0.00 -1.26 -4.73 120.51 115.83 1wac n ALA 560 Ca 0.13 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1wac n ALA 560 Cb 0.36 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 1wac n ALA 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wac h PRO 562 N 7.35 0.11 -0.32 0.00 0.11 -1.87 0.55 132.00 137.93 1wac h PRO 562 Ca -0.39 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1wac h PRO 562 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1wac h PRO 562 CO 0.87 0.07 0.00 0.44 -0.21 0.00 0.00 178.00 179.18 1wac n ILE 563 N -4.48 1.61 -0.09 4.15 -5.35 -1.26 -4.83 119.36 109.11 1wac n ILE 563 Ca 0.34 -1.39 -0.02 0.00 -0.27 0.00 0.00 62.75 61.40 1wac n ILE 563 Cb 1.39 0.15 -0.02 0.00 -1.74 0.00 0.00 39.64 39.42 1wac n ILE 563 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wac n TYR 564 N 0.10 -0.10 -0.02 4.28 -0.00 0.18 -1.40 117.16 120.20 1wac n TYR 564 Ca 0.17 0.28 0.01 0.00 -0.00 0.00 0.00 57.90 58.36 1wac n TYR 564 Cb 0.66 -0.47 0.34 0.00 -0.00 0.00 0.00 39.34 39.87 1wac n TYR 564 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 1wac h SER 565 N 0.00 0.52 -0.63 2.98 4.64 -1.88 -2.27 113.55 116.91 1wac h SER 565 Ca 0.04 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1wac h SER 565 Cb 0.09 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 1wac h SER 565 CO -0.21 0.48 0.32 0.44 -0.87 0.00 0.00 176.83 176.99 1wac h ASP 566 N 0.57 0.81 0.29 4.97 5.19 -1.66 -0.13 116.42 126.46 1wac h ASP 566 Ca 0.14 -0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1wac h ASP 566 Cb 0.14 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 1wac h ASP 566 CO -0.01 0.70 -0.17 0.58 -3.12 0.00 0.00 179.24 177.22 1wac h VAL 567 N 0.87 0.65 -0.58 -1.35 2.07 -0.70 0.29 116.25 117.49 1wac h VAL 567 Ca 0.22 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.85 1wac h VAL 567 Cb 0.09 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.42 1wac h VAL 567 CO -0.03 0.00 0.12 -0.07 0.02 0.00 0.00 177.57 177.61 1wac h LEU 568 N -0.44 -0.01 -0.23 2.57 3.38 -1.07 0.19 115.31 119.70 1wac h LEU 568 Ca -0.03 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.10 1wac h LEU 568 Cb 0.36 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1wac h LEU 568 CO 0.04 0.01 -0.11 -0.33 0.09 0.00 0.00 178.44 178.13 1wac h GLU 569 N 0.25 -0.08 -0.31 1.13 5.08 -0.56 -0.23 114.58 119.86 1wac h GLU 569 Ca 0.30 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.73 1wac h GLU 569 Cb 0.45 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1wac h GLU 569 CO -0.40 -0.05 -0.04 0.00 -1.00 0.00 0.00 179.01 177.52 1wac h ALA 570 N 1.11 0.25 0.55 3.43 0.00 0.10 -0.08 119.26 124.62 1wac h ALA 570 Ca 0.12 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1wac h ALA 570 Cb 0.26 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1wac h ALA 570 CO -0.28 -0.43 -0.48 0.82 0.00 0.00 0.00 179.25 178.87 1wac h ILE 571 N 0.05 0.05 -0.78 0.00 2.04 -0.11 -0.52 117.51 118.24 1wac h ILE 571 Ca 0.15 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.18 1wac h ILE 571 Cb 0.22 0.05 -0.14 0.00 -0.74 0.00 0.00 36.82 36.20 1wac h ILE 571 CO -0.29 0.00 -0.12 -0.08 0.00 0.00 0.00 178.15 177.67 1wac h GLU 572 N -1.02 0.03 0.24 2.37 4.57 -0.65 0.22 114.58 120.35 1wac h GLU 572 Ca -0.07 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1wac h GLU 572 Cb 0.87 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1wac h GLU 572 CO -0.03 0.02 -0.20 -0.09 -1.18 0.00 0.00 179.01 177.53 1wac h ARG 573 N 0.03 -0.44 -0.37 1.92 2.43 -0.56 -1.20 114.38 116.19 1wac h ARG 573 Ca 0.40 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.54 1wac h ARG 573 Cb 0.66 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1wac h ARG 573 CO -0.76 -0.29 -0.03 0.00 -1.51 0.00 0.00 179.97 177.37 1wac h TRP 575 N 0.56 1.01 0.90 0.00 2.91 -0.44 -1.31 115.95 119.58 1wac h TRP 575 Ca 0.11 -0.11 -0.04 0.00 1.13 0.00 0.00 58.89 59.98 1wac h TRP 575 Cb 0.40 -0.29 0.01 0.00 -0.51 0.00 0.00 29.16 28.77 1wac h TRP 575 CO 0.02 0.84 -0.45 -1.49 -1.03 0.00 0.00 178.44 176.32 1wac h TRP 576 N 0.92 -1.16 -1.03 2.65 4.06 -0.57 0.39 115.95 121.20 1wac h TRP 576 Ca 0.20 -0.03 0.30 0.00 2.06 0.00 0.00 58.89 61.42 1wac h TRP 576 Cb 0.34 0.39 -0.04 0.00 -1.00 0.00 0.00 29.16 28.85 1wac h TRP 576 CO 0.02 -0.71 0.74 -0.91 -3.56 0.00 0.00 178.44 174.02 1wac h ASN 577 N -1.23 0.00 0.13 -3.49 2.35 -1.12 0.65 115.58 112.87 1wac h ASN 577 Ca -0.12 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.27 1wac h ASN 577 Cb 0.95 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.26 1wac h ASN 577 CO 0.19 0.00 -2.21 0.00 -1.65 0.00 0.00 177.43 173.77 1wac n ALA 578 N -2.74 1.43 0.10 -0.83 0.00 -0.52 -4.63 120.51 113.33 1wac n ALA 578 Ca 0.22 -1.09 0.03 0.00 0.00 0.00 0.00 53.44 52.60 1wac n ALA 578 Cb 1.10 -0.37 -0.04 0.00 0.00 0.00 0.00 19.45 20.13 1wac n ALA 578 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wac n PHE 579 N -2.98 0.00 -3.09 0.00 3.01 0.13 -4.80 117.46 109.74 1wac n PHE 579 Ca -0.31 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.01 1wac n PHE 579 Cb 1.09 -0.09 0.05 0.00 -0.01 0.00 0.00 39.48 40.52 1wac n PHE 579 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wac n GLY 580 N 1.79 0.06 3.52 1.37 0.00 0.22 -5.01 105.19 107.14 1wac n GLY 580 Ca -0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 1wac n GLY 580 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wac s GLU 581 N -5.61 1.40 -0.26 1.61 2.02 -1.26 -5.02 118.70 111.58 1wac s GLU 581 Ca 0.29 -1.02 -0.24 0.00 0.02 0.00 0.00 54.97 54.02 1wac s GLU 581 Cb -0.13 0.49 -0.01 0.00 0.10 0.00 0.00 34.13 34.58 1wac s GLU 581 CO 0.43 -0.58 0.78 0.45 0.02 0.00 0.00 175.26 176.36 1wac s SER 582 N -2.93 6.75 0.13 -0.19 0.15 -1.26 -3.72 113.70 112.62 1wac s SER 582 Ca 0.14 0.89 -0.15 0.00 0.70 0.00 0.00 55.95 57.53 1wac s SER 582 Cb -0.00 -2.41 -0.01 0.00 -1.71 0.00 0.00 66.02 61.88 1wac s SER 582 CO 0.01 -0.51 1.60 0.22 1.20 0.00 0.00 173.24 175.76 1wac h TYR 583 N 7.82 0.73 -0.63 3.44 5.03 -1.92 -2.08 116.97 129.37 1wac h TYR 583 Ca -0.24 -0.10 0.08 0.00 2.58 0.00 0.00 58.73 61.04 1wac h TYR 583 Cb 1.10 -0.20 -0.06 0.00 1.55 0.00 0.00 36.73 39.12 1wac h TYR 583 CO 0.76 0.71 0.29 -0.09 -1.32 0.00 0.00 178.16 178.52 1wac h ARG 584 N 0.53 0.51 0.20 1.82 2.43 -1.94 -1.09 114.38 116.84 1wac h ARG 584 Ca 0.12 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1wac h ARG 584 Cb 0.38 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 1wac h ARG 584 CO 0.01 0.34 -0.51 0.00 -1.51 0.00 0.00 179.97 178.30 1wac h ALA 585 N 1.38 -1.02 -0.95 2.80 0.00 -1.90 -1.88 119.26 117.69 1wac h ALA 585 Ca 0.30 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 55.33 1wac h ALA 585 Cb 0.29 0.85 -0.18 0.00 0.00 0.00 0.00 17.79 18.76 1wac h ALA 585 CO -0.24 -1.12 -0.03 -0.92 0.00 0.00 0.00 179.25 176.94 1wac h TYR 586 N -0.78 -0.14 0.00 0.00 3.20 -0.58 0.25 116.97 118.93 1wac h TYR 586 Ca -0.02 0.07 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 1wac h TYR 586 Cb 0.76 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 1wac h TYR 586 CO -0.41 -0.40 -0.55 0.00 -1.64 0.00 0.00 178.16 175.16 1wac h ARG 587 N 0.02 0.00 -0.29 1.82 2.47 -0.63 -2.42 114.38 115.35 1wac h ARG 587 Ca 0.55 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 59.10 1wac h ARG 587 Cb 1.06 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1wac h ARG 587 CO -0.90 0.55 -0.50 0.93 0.56 0.00 0.00 179.97 180.61 1wac h GLU 588 N 0.00 0.81 0.50 0.04 5.08 0.25 0.12 114.58 121.38 1wac h GLU 588 Ca -0.01 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 1wac h GLU 588 Cb 1.02 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1wac h GLU 588 CO 0.07 1.12 -0.28 -0.44 -1.00 0.00 0.00 179.01 178.48 1wac h ASP 589 N 0.63 -0.68 -0.91 1.42 3.45 -1.16 -0.47 116.42 118.70 1wac h ASP 589 Ca 0.03 0.03 0.19 0.00 0.43 0.00 0.00 57.03 57.71 1wac h ASP 589 Cb 1.08 0.19 -0.11 0.00 -0.56 0.00 0.00 39.33 39.94 1wac h ASP 589 CO 0.11 -0.45 0.48 -0.03 -1.57 0.00 0.00 179.24 177.78 1wac h MET 590 N -0.73 0.56 0.77 3.56 4.05 -1.28 0.80 114.93 122.67 1wac h MET 590 Ca -0.06 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.29 1wac h MET 590 Cb 0.58 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 31.25 1wac h MET 590 CO 0.08 0.37 -0.46 1.25 0.23 0.00 0.00 176.91 178.39 1wac h LEU 591 N 0.58 -1.14 -0.16 3.39 6.46 0.19 -0.64 115.31 123.99 1wac h LEU 591 Ca 0.54 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 58.40 1wac h LEU 591 Cb 0.89 0.33 -0.07 0.00 -0.73 0.00 0.00 40.66 41.08 1wac h LEU 591 CO -0.43 -0.71 -0.50 0.50 -0.62 0.00 0.00 178.44 176.68 1wac h LYS 592 N -1.15 -0.52 -0.53 1.25 3.64 0.09 0.33 116.57 119.69 1wac h LYS 592 Ca -0.10 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.41 1wac h LYS 592 Cb 0.92 0.12 -0.11 0.00 -0.41 0.00 0.00 32.23 32.75 1wac h LYS 592 CO 0.11 -0.34 -0.34 0.00 -2.27 0.00 0.00 179.45 176.61 1wac h ARG 593 N -0.54 -0.19 -0.37 1.90 3.08 -0.80 -0.52 114.38 116.94 1wac h ARG 593 Ca 0.06 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1wac h ARG 593 Cb 0.66 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1wac h ARG 593 CO -0.44 -0.13 0.17 -0.44 -1.07 0.00 0.00 179.97 178.07 1wac h ASP 594 N -0.20 0.49 -0.96 7.04 3.45 -0.53 -0.31 116.42 125.41 1wac h ASP 594 Ca 0.21 -0.14 0.17 0.00 0.43 0.00 0.00 57.03 57.70 1wac h ASP 594 Cb 0.55 -0.13 -0.10 0.00 -0.56 0.00 0.00 39.33 39.09 1wac h ASP 594 CO -0.64 0.49 0.56 0.74 -1.57 0.00 0.00 179.24 178.82 1wac h THR 595 N 0.46 0.73 0.47 0.35 2.02 0.84 1.20 112.91 118.98 1wac h THR 595 Ca 0.13 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 1wac h THR 595 Cb 0.13 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.47 1wac h THR 595 CO -0.01 0.13 -0.23 -0.07 0.37 0.00 0.00 175.52 175.71 1wac h LEU 596 N 0.74 -0.53 -0.98 2.58 3.38 -0.70 -3.06 115.31 116.73 1wac h LEU 596 Ca 0.54 0.02 0.34 0.00 0.09 0.00 0.00 57.88 58.86 1wac h LEU 596 Cb 0.79 0.14 -0.16 0.00 0.09 0.00 0.00 40.66 41.51 1wac h LEU 596 CO -0.37 -0.24 0.45 -0.08 0.09 0.00 0.00 178.44 178.30 1wac h GLU 597 N -0.92 0.15 -0.46 1.13 4.57 -0.11 0.68 114.58 119.62 1wac h GLU 597 Ca -0.06 -0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.18 1wac h GLU 597 Cb 0.48 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.98 1wac h GLU 597 CO 0.11 0.10 0.09 1.25 -1.18 0.00 0.00 179.01 179.38 1wac h LEU 598 N 0.16 0.01 -2.56 1.64 5.85 0.15 -0.43 115.31 120.13 1wac h LEU 598 Ca 0.73 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.53 1wac h LEU 598 Cb 1.75 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.89 1wac h LEU 598 CO -0.71 0.04 -0.02 0.77 -0.34 0.00 0.00 178.44 178.18 1wac h SER 599 N 0.23 0.00 0.15 1.25 4.64 -0.79 0.26 113.55 119.30 1wac h SER 599 Ca 0.23 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1wac h SER 599 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1wac h SER 599 CO -0.29 0.02 -0.03 -0.09 -0.87 0.00 0.00 176.83 175.56 1wac h ARG 600 N 0.00 0.00 0.00 4.77 2.43 -1.01 -3.27 114.38 117.30 1wac h ARG 600 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1wac h ARG 600 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1wac h ARG 600 CO 0.00 0.03 -0.97 0.66 -1.51 0.00 0.00 179.97 178.18 1wac n TYR 601 N -3.55 0.01 -2.07 2.20 4.02 0.84 -4.93 117.16 113.67 1wac n TYR 601 Ca -0.02 0.01 -0.42 0.00 -0.01 0.00 0.00 57.90 57.45 1wac n TYR 601 Cb 0.13 -0.49 -0.03 0.00 -0.02 0.00 0.00 39.34 38.93 1wac n TYR 601 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1wac s VAL 602 N -2.86 2.89 -0.13 -0.72 1.01 -0.64 -4.95 120.40 115.01 1wac s VAL 602 Ca -0.28 0.70 -0.24 0.00 0.00 0.00 0.00 61.98 62.16 1wac s VAL 602 Cb 0.04 -3.45 -0.26 0.00 0.00 0.00 0.00 36.38 32.71 1wac s VAL 602 CO 0.42 0.09 0.66 0.00 0.00 0.00 0.00 175.10 176.27 1wac h ALA 603 N 5.72 0.06 0.00 5.51 0.00 -1.92 -3.32 119.26 125.31 1wac h ALA 603 Ca -0.44 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1wac h ALA 603 Cb 1.21 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1wac h ALA 603 CO 0.81 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 179.27 1wac n SER 604 N -4.36 0.56 -3.67 0.00 3.41 -1.26 -4.20 113.62 104.10 1wac n SER 604 Ca -0.17 -0.46 -0.28 0.00 -0.26 0.00 0.00 58.87 57.70 1wac n SER 604 Cb 0.66 -0.12 -0.16 0.00 -0.26 0.00 0.00 64.21 64.33 1wac n SER 604 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1wac s MET 605 N 0.28 0.47 0.33 4.33 0.00 -1.25 -5.11 119.30 118.35 1wac s MET 605 Ca 0.00 -0.53 -0.27 0.00 0.00 0.00 0.00 55.69 54.89 1wac s MET 605 Cb 0.00 -1.84 -0.13 0.00 0.00 0.00 0.00 34.83 32.86 1wac s MET 605 CO 0.00 -0.80 0.98 0.00 0.00 0.00 0.00 175.02 175.20 1wac n ALA 606 N 5.09 -0.18 0.00 4.11 0.00 -1.26 -4.64 120.51 123.63 1wac n ALA 606 Ca -0.07 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1wac n ALA 606 Cb 0.45 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1wac n ALA 606 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1wac n ARG 607 N 0.57 0.00 0.00 0.00 1.74 -1.26 0.63 116.66 118.34 1wac n ARG 607 Ca 0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 1wac n ARG 607 Cb 0.34 -0.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 1wac n ARG 607 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1wac n GLN 608 N 0.59 0.00 -2.14 5.56 7.27 -1.26 -4.99 117.38 122.41 1wac n GLN 608 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 1wac n GLN 608 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1wac n GLN 608 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wac s ALA 609 N 0.00 3.63 0.21 1.69 0.00 0.21 -4.97 121.76 122.53 1wac s ALA 609 Ca 0.00 0.79 0.07 0.00 0.00 0.00 0.00 51.96 52.82 1wac s ALA 609 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1wac s ALA 609 CO 0.00 -1.29 0.11 0.20 0.00 0.00 0.00 175.76 174.78 1wac s GLY 610 N 2.82 1.59 0.00 0.00 0.00 -1.26 -4.25 107.32 106.22 1wac s GLY 610 Ca 0.67 -1.39 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1wac s GLY 610 CO 0.25 -1.42 0.00 1.04 0.00 0.00 0.00 173.10 172.97 1wac n LEU 611 N -0.70 0.00 0.00 0.66 4.77 -1.26 -4.61 117.00 115.87 1wac n LEU 611 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1wac n LEU 611 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 1wac n LEU 611 CO 0.42 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.48 1wac n ALA 612 N 0.00 0.00 0.62 -1.18 0.00 -1.26 -3.93 120.51 114.76 1wac n ALA 612 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1wac n ALA 612 Cb 0.00 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.80 1wac n ALA 612 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wac n GLU 613 N 0.00 0.13 -3.05 0.00 -0.58 -1.26 -4.74 120.64 111.14 1wac n GLU 613 Ca 0.00 0.19 -0.34 0.00 -0.42 0.00 0.00 57.16 56.59 1wac n GLU 613 Cb 0.00 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.31 1wac n GLU 613 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1wac s LEU 614 N -2.74 4.15 0.27 -4.62 1.43 -1.25 -5.04 118.68 110.87 1wac s LEU 614 Ca 0.11 1.43 -0.09 0.00 -1.03 0.00 0.00 54.13 54.55 1wac s LEU 614 Cb 0.10 -4.00 -0.07 0.00 0.03 0.00 0.00 46.19 42.25 1wac s LEU 614 CO 0.24 -0.15 0.59 -0.89 0.23 0.00 0.00 176.35 176.37 1wac s THR 615 N -1.85 4.92 0.45 5.49 2.01 -1.26 -4.92 115.64 120.47 1wac s THR 615 Ca 0.52 0.43 0.22 0.00 0.31 0.00 0.00 61.69 63.16 1wac s THR 615 Cb -0.13 -3.66 0.41 0.00 0.01 0.00 0.00 72.50 69.14 1wac s THR 615 CO 0.18 -0.19 1.85 -0.65 -0.69 0.00 0.00 174.62 175.12 1wac h PRO 616 N 2.17 0.28 -0.20 4.92 0.11 -1.97 0.30 132.00 137.62 1wac h PRO 616 Ca -0.47 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1wac h PRO 616 Cb 1.18 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1wac h PRO 616 CO 0.68 0.19 -0.46 0.97 -0.21 0.00 0.00 178.00 179.17 1wac h ILE 617 N 0.29 1.31 0.21 4.15 2.10 -1.94 0.17 117.51 123.81 1wac h ILE 617 Ca 0.48 -1.65 -0.01 0.00 1.08 0.00 0.00 64.86 64.76 1wac h ILE 617 Cb 1.40 1.66 0.00 0.00 -1.09 0.00 0.00 36.82 38.79 1wac h ILE 617 CO -0.15 0.51 -0.10 0.44 -1.08 0.00 0.00 178.15 177.77 1wac h ASP 618 N 0.40 -0.24 -0.97 2.19 5.19 -0.82 0.28 116.42 122.45 1wac h ASP 618 Ca 0.03 -0.16 0.22 0.00 -0.62 0.00 0.00 57.03 56.50 1wac h ASP 618 Cb 0.96 0.06 -0.08 0.00 0.18 0.00 0.00 39.33 40.44 1wac h ASP 618 CO 0.08 0.03 0.63 -0.07 -3.12 0.00 0.00 179.24 176.79 1wac h LEU 619 N -0.50 0.50 -0.07 1.55 3.38 -0.99 0.36 115.31 119.54 1wac h LEU 619 Ca -0.03 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1wac h LEU 619 Cb 0.38 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1wac h LEU 619 CO 0.05 0.17 -0.01 -0.08 0.09 0.00 0.00 178.44 178.66 1wac h GLU 620 N 0.48 0.13 -0.20 1.13 4.57 0.28 -2.98 114.58 117.99 1wac h GLU 620 Ca 0.53 -0.04 -0.19 0.00 -1.18 0.00 0.00 59.36 58.48 1wac h GLU 620 Cb 1.22 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1wac h GLU 620 CO -0.26 0.42 -0.65 0.28 -1.18 0.00 0.00 179.01 177.63 1wac h VAL 621 N -0.18 1.30 -0.09 0.32 2.07 0.16 -2.11 116.25 117.70 1wac h VAL 621 Ca 0.02 -1.87 -0.03 0.00 0.82 0.00 0.00 66.70 65.63 1wac h VAL 621 Cb 0.37 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1wac h VAL 621 CO 0.00 0.59 -0.10 -0.07 0.02 0.00 0.00 177.57 178.02 1wac h LEU 622 N 0.54 0.13 -0.34 2.57 3.38 -0.47 0.17 115.31 121.28 1wac h LEU 622 Ca -0.02 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 1wac h LEU 622 Cb 1.25 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1wac h LEU 622 CO 0.13 0.25 -0.77 0.00 0.09 0.00 0.00 178.44 178.14 1wac h ALA 623 N 1.77 0.53 -0.94 1.53 0.00 -1.41 0.97 119.26 121.71 1wac h ALA 623 Ca 0.03 -0.63 0.09 0.00 0.00 0.00 0.00 54.91 54.40 1wac h ALA 623 Cb 0.27 -0.05 -0.21 0.00 0.00 0.00 0.00 17.79 17.80 1wac h ALA 623 CO 0.02 0.77 -0.26 0.34 0.00 0.00 0.00 179.25 180.11 1wac s ASP 624 N -7.00 -1.37 0.53 0.00 3.68 -0.13 -4.20 116.67 108.18 1wac s ASP 624 Ca -0.06 0.66 0.31 0.00 2.13 0.00 0.00 52.55 55.58 1wac s ASP 624 Cb 0.10 2.07 1.47 0.00 -1.45 0.00 0.00 42.92 45.11 1wac s ASP 624 CO 0.85 -0.25 2.05 -0.65 0.13 0.00 0.00 175.17 177.29 1wac h PRO 625 N 7.98 0.00 -0.06 4.34 0.11 -0.96 -2.66 132.00 140.76 1wac h PRO 625 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1wac h PRO 625 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1wac h PRO 625 CO 0.20 0.10 0.00 0.09 -0.21 0.00 0.00 178.00 178.18 1wac n ASN 626 N -3.39 0.06 -1.61 -2.05 4.13 -1.26 -2.67 115.26 108.46 1wac n ASN 626 Ca -0.01 -1.06 0.09 0.00 1.68 0.00 0.00 54.58 55.28 1wac n ASN 626 Cb 0.27 -0.03 0.36 0.00 -1.54 0.00 0.00 39.78 38.84 1wac n ASN 626 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1wac n LYS 627 N -0.42 3.81 -3.15 3.52 4.81 -1.00 -4.77 118.16 120.96 1wac n LYS 627 Ca 0.00 -2.92 0.06 0.00 -0.87 0.00 0.00 58.31 54.58 1wac n LYS 627 Cb 0.01 -1.92 -0.01 0.00 0.02 0.00 0.00 35.03 33.14 1wac n LYS 627 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1wac s LEU 628 N -1.90 -0.11 0.00 3.14 1.98 -1.09 -4.82 118.68 115.88 1wac s LEU 628 Ca 0.52 0.03 0.00 0.00 -2.89 0.00 0.00 54.13 51.79 1wac s LEU 628 Cb 0.34 1.08 0.00 0.00 0.66 0.00 0.00 46.19 48.26 1wac s LEU 628 CO 0.24 -0.02 0.86 -1.20 -1.89 0.00 0.00 176.35 174.35 1wac n SER 629 N 5.20 1.66 0.01 3.68 7.64 -1.26 -4.66 113.62 125.89 1wac n SER 629 Ca 0.03 -1.74 -0.10 0.00 1.01 0.00 0.00 58.87 58.07 1wac n SER 629 Cb 0.57 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.74 1wac n SER 629 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1wac h GLY 630 N 0.00 -0.36 0.00 0.23 0.00 -1.97 -3.47 103.07 97.50 1wac h GLY 630 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.68 1wac h GLY 630 CO 0.00 -0.21 0.00 -0.37 0.00 0.00 0.00 176.54 175.96 1wac n THR 631 N -5.39 0.00 -0.88 4.70 5.66 -1.26 -4.98 114.28 112.12 1wac n THR 631 Ca -0.03 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.78 1wac n THR 631 Cb 0.31 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.14 1wac n THR 631 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1wac n GLU 632 N -0.55 1.90 0.00 1.09 4.71 -1.26 -3.50 120.64 123.03 1wac n GLU 632 Ca 0.00 -1.78 0.00 0.00 -0.01 0.00 0.00 57.16 55.37 1wac n GLU 632 Cb 0.00 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 28.73 1wac n GLU 632 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wac n ALA 633 N 0.12 0.08 1.53 0.62 0.00 -1.26 -4.72 120.51 116.88 1wac n ALA 633 Ca 0.34 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.93 1wac n ALA 633 Cb 0.65 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.80 1wac n ALA 633 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wac n ASP 634 N -0.05 0.35 -4.25 0.00 8.00 -1.23 -4.82 116.55 114.55 1wac n ASP 634 Ca 0.00 -0.63 -0.26 0.00 0.71 0.00 0.00 54.79 54.62 1wac n ASP 634 Cb 0.00 -0.10 -0.14 0.00 -0.02 0.00 0.00 41.12 40.86 1wac n ASP 634 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1wac s VAL 635 N -2.37 1.67 0.25 2.53 1.01 -1.26 -4.89 120.40 117.34 1wac s VAL 635 Ca 0.33 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1wac s VAL 635 Cb 0.21 -1.44 -0.14 0.00 0.00 0.00 0.00 36.38 35.00 1wac s VAL 635 CO 0.44 0.25 1.21 -1.20 0.00 0.00 0.00 175.10 175.80 1wac n SER 636 N 1.97 1.94 -0.09 3.32 7.64 -1.26 -4.77 113.62 122.36 1wac n SER 636 Ca -0.17 1.16 -0.07 0.00 1.01 0.00 0.00 58.87 60.81 1wac n SER 636 Cb 0.53 -1.33 -0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1wac n SER 636 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wac h ALA 637 N 3.15 -0.01 -0.64 -0.43 0.00 -1.96 0.27 119.26 119.65 1wac h ALA 637 Ca -0.43 0.12 0.19 0.00 0.00 0.00 0.00 54.91 54.78 1wac h ALA 637 Cb 1.31 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 1wac h ALA 637 CO 0.68 -0.61 0.54 -0.91 0.00 0.00 0.00 179.25 178.95 1wac h ASN 638 N -0.18 0.00 0.30 0.00 2.35 -2.01 -1.66 115.58 114.39 1wac h ASN 638 Ca 0.17 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1wac h ASN 638 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1wac h ASN 638 CO -0.45 0.00 -0.15 0.40 -1.65 0.00 0.00 177.43 175.58 1wac h ILE 639 N 0.00 0.42 -0.98 2.81 1.08 -0.80 -3.14 117.51 116.91 1wac h ILE 639 Ca 0.30 -0.81 0.25 0.00 -0.39 0.00 0.00 64.86 64.21 1wac h ILE 639 Cb 1.37 0.69 -0.13 0.00 -3.07 0.00 0.00 36.82 35.69 1wac h ILE 639 CO -0.00 0.10 0.54 0.45 -0.69 0.00 0.00 178.15 178.55 1wac h HIS 640 N -0.99 0.92 -0.96 1.37 3.86 -1.00 1.44 115.15 119.79 1wac h HIS 640 Ca -0.04 0.04 0.17 0.00 -1.16 0.00 0.00 60.37 59.38 1wac h HIS 640 Cb 0.48 -0.25 -0.09 0.00 1.06 0.00 0.00 27.41 28.61 1wac h HIS 640 CO 0.04 0.01 0.61 0.93 0.86 0.00 0.00 177.93 180.37 1wac h GLU 641 N 0.50 0.69 -0.40 2.45 5.08 -1.51 1.65 114.58 123.05 1wac h GLU 641 Ca 0.64 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.93 1wac h GLU 641 Cb 1.24 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1wac h GLU 641 CO -0.51 0.46 0.14 0.28 -1.00 0.00 0.00 179.01 178.38 1wac h VAL 642 N 0.71 1.21 0.00 3.13 2.07 0.20 -3.32 116.25 120.25 1wac h VAL 642 Ca 0.52 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1wac h VAL 642 Cb 0.86 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1wac h VAL 642 CO -0.28 0.24 -1.10 0.18 0.02 0.00 0.00 177.57 176.63 1wac n LEU 643 N -4.61 0.71 -4.47 2.57 4.77 -0.35 -4.78 117.00 110.83 1wac n LEU 643 Ca -0.00 -0.40 -0.23 0.00 -0.03 0.00 0.00 56.01 55.35 1wac n LEU 643 Cb 0.17 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 1wac n LEU 643 CO 0.38 0.18 -0.22 -0.04 -1.33 0.00 0.00 177.39 176.35 1wac s MET 644 N -2.91 1.79 -0.23 3.23 -1.94 0.55 -0.74 119.30 119.06 1wac s MET 644 Ca 0.04 -2.05 -0.16 0.00 -1.71 0.00 0.00 55.69 51.81 1wac s MET 644 Cb 0.14 -0.66 0.07 0.00 2.01 0.00 0.00 34.83 36.38 1wac s MET 644 CO 0.78 -0.37 0.57 -1.58 -0.01 0.00 0.00 175.02 174.42 1wac s HIS 645 N -3.29 -0.78 0.42 -0.03 2.46 -0.72 -4.48 115.29 108.87 1wac s HIS 645 Ca 0.29 1.69 0.08 0.00 0.47 0.00 0.00 55.06 57.59 1wac s HIS 645 Cb 0.05 0.38 0.00 0.00 -0.13 0.00 0.00 32.58 32.88 1wac s HIS 645 CO 0.15 -0.40 0.51 0.20 -2.47 0.00 0.00 174.74 172.73 1wac s GLY 646 N 1.10 2.00 0.10 1.59 0.00 -1.26 -0.00 107.32 110.85 1wac s GLY 646 Ca -0.06 -1.73 0.02 0.00 0.00 0.00 0.00 44.72 42.95 1wac s GLY 646 CO -0.11 -1.55 0.16 0.14 0.00 0.00 0.00 173.10 171.75 1wac s VAL 647 N -2.38 4.91 0.16 1.40 1.01 -0.29 -4.93 120.40 120.28 1wac s VAL 647 Ca 0.53 -0.70 -0.33 0.00 0.00 0.00 0.00 61.98 61.47 1wac s VAL 647 Cb -0.08 -3.43 -0.16 0.00 0.00 0.00 0.00 36.38 32.71 1wac s VAL 647 CO 0.31 0.05 1.21 -0.24 0.00 0.00 0.00 175.10 176.43 1wac n SER 648 N 0.08 1.49 0.09 3.32 2.88 -1.26 -3.52 113.62 116.70 1wac n SER 648 Ca -0.07 1.14 0.03 0.00 -1.33 0.00 0.00 58.87 58.63 1wac n SER 648 Cb 0.52 -1.23 0.41 0.00 -0.75 0.00 0.00 64.21 63.17 1wac n SER 648 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1wac h VAL 649 N 2.80 1.15 -0.45 2.46 2.07 -1.95 -1.04 116.25 121.28 1wac h VAL 649 Ca -0.44 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 66.51 1wac h VAL 649 Cb 1.34 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1wac h VAL 649 CO 0.72 0.19 0.27 -0.33 0.02 0.00 0.00 177.57 178.44 1wac h GLU 650 N 0.30 0.53 -0.20 1.57 3.07 -1.98 0.26 114.58 118.14 1wac h GLU 650 Ca 0.07 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.87 1wac h GLU 650 Cb 0.24 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 1wac h GLU 650 CO 0.01 0.35 -0.00 0.87 -1.40 0.00 0.00 179.01 178.83 1wac h LYS 651 N 0.54 0.35 -0.56 2.33 1.57 -1.60 -1.80 116.57 117.41 1wac h LYS 651 Ca 0.18 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 1wac h LYS 651 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1wac h LYS 651 CO -0.08 0.56 -0.04 1.79 -0.57 0.00 0.00 179.45 181.11 1wac h THR 652 N 0.10 1.27 -0.31 -0.16 1.35 -0.99 -1.49 112.91 112.67 1wac h THR 652 Ca 0.06 -1.18 0.06 0.00 -0.55 0.00 0.00 66.41 64.79 1wac h THR 652 Cb 0.40 0.91 -0.06 0.00 -1.73 0.00 0.00 68.15 67.67 1wac h THR 652 CO 0.01 0.42 -0.05 -0.08 -0.25 0.00 0.00 175.52 175.58 1wac h GLU 653 N 0.89 0.03 0.07 4.72 4.81 -0.38 0.58 114.58 125.30 1wac h GLU 653 Ca 0.15 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1wac h GLU 653 Cb 0.60 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.93 1wac h GLU 653 CO 0.04 0.02 -0.30 -0.09 -0.73 0.00 0.00 179.01 177.95 1wac h ARG 654 N 0.04 -0.47 -0.10 1.92 2.43 -1.15 -1.14 114.38 115.91 1wac h ARG 654 Ca 0.15 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.40 1wac h ARG 654 Cb 0.22 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 1wac h ARG 654 CO -0.29 -0.31 -0.31 0.35 -1.51 0.00 0.00 179.97 177.90 1wac h PHE 655 N -0.49 -0.84 -0.95 2.20 3.57 -0.09 -2.78 116.94 117.56 1wac h PHE 655 Ca 0.04 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1wac h PHE 655 Cb 0.54 0.39 -0.06 0.00 2.79 0.00 0.00 35.95 39.60 1wac h PHE 655 CO -0.29 -0.39 0.61 1.25 -2.23 0.00 0.00 178.31 177.26 1wac h LEU 656 N -0.40 0.95 -1.29 0.59 5.85 0.37 -1.88 115.31 119.49 1wac h LEU 656 Ca 0.09 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.94 1wac h LEU 656 Cb 0.53 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1wac h LEU 656 CO -0.32 0.59 0.56 -0.09 -0.34 0.00 0.00 178.44 178.83 1wac h ARG 657 N 1.06 0.72 0.00 1.25 2.43 -0.92 0.42 114.38 119.34 1wac h ARG 657 Ca 0.42 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1wac h ARG 657 Cb 0.23 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1wac h ARG 657 CO -0.17 0.47 0.00 -1.13 -1.51 0.00 0.00 179.97 177.64 1wac n SER 658 N -4.54 0.07 -0.10 -3.80 3.41 -0.71 -3.97 113.62 103.97 1wac n SER 658 Ca 0.16 0.51 -0.16 0.00 -0.26 0.00 0.00 58.87 59.11 1wac n SER 658 Cb 0.39 -0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 1wac n SER 658 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1wac n VAL 659 N -1.56 1.49 -1.48 -3.33 0.31 -0.11 -4.57 118.33 109.08 1wac n VAL 659 Ca 0.06 -0.03 -0.47 0.00 -0.01 0.00 0.00 64.34 63.89 1wac n VAL 659 Cb 0.33 -2.17 -0.03 0.00 -0.91 0.00 0.00 33.84 31.06 1wac n VAL 659 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1wac n MET 660 N -4.36 0.55 0.25 5.55 2.00 -0.05 -0.89 117.12 120.16 1wac n MET 660 Ca -0.27 0.19 0.10 0.00 0.00 0.00 0.00 57.70 57.72 1wac n MET 660 Cb 0.63 -1.38 0.64 0.00 0.00 0.00 0.00 33.22 33.11 1wac n MET 660 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1wac h PRO 661 N 1.61 0.00 0.00 0.03 0.13 -1.82 -3.44 132.00 128.51 1wac h PRO 661 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1wac h PRO 661 Cb 1.40 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.53 1wac h PRO 661 CO 0.60 0.16 0.00 0.54 -0.23 0.00 0.00 178.00 179.06