#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wd7 s ALA 3 N 0.00 3.35 0.94 4.31 0.00 -1.26 -5.06 121.76 124.03 2wd7 s ALA 3 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.05 2wd7 s ALA 3 Cb 0.00 -2.88 0.15 0.00 0.00 0.00 0.00 23.12 20.39 2wd7 s ALA 3 CO 0.00 0.30 1.09 -1.25 0.00 0.00 0.00 175.76 175.89 2wd7 s PRO 4 N -2.24 0.91 0.06 0.00 0.04 -1.26 -4.74 135.00 127.76 2wd7 s PRO 4 Ca 0.47 0.94 0.06 0.00 0.04 0.00 0.00 61.00 62.50 2wd7 s PRO 4 Cb -0.15 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2wd7 s PRO 4 CO 0.20 -2.51 -0.16 0.00 0.04 0.00 0.00 177.00 174.57 2wd7 s ALA 5 N -2.82 1.37 0.04 8.56 0.00 -1.26 -0.76 121.76 126.88 2wd7 s ALA 5 Ca 0.65 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.70 2wd7 s ALA 5 Cb -0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 2wd7 s ALA 5 CO 0.58 0.26 -0.16 0.00 0.00 0.00 0.00 175.76 176.44 2wd7 s ALA 6 N -0.97 1.38 -0.21 0.00 0.00 0.11 0.20 121.76 122.27 2wd7 s ALA 6 Ca 0.03 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.01 2wd7 s ALA 6 Cb -0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2wd7 s ALA 6 CO 0.02 0.28 0.09 0.08 0.00 0.00 0.00 175.76 176.23 2wd7 s VAL 7 N -0.81 4.85 -0.21 0.00 1.01 0.35 -0.69 120.40 124.90 2wd7 s VAL 7 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2wd7 s VAL 7 Cb -0.08 -3.22 0.03 0.00 0.00 0.00 0.00 36.38 33.11 2wd7 s VAL 7 CO 0.01 0.41 -0.14 -0.69 0.00 0.00 0.00 175.10 174.69 2wd7 s VAL 8 N 0.75 2.34 0.35 2.92 1.01 -0.83 0.37 120.40 127.30 2wd7 s VAL 8 Ca 0.05 -1.05 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 2wd7 s VAL 8 Cb -0.13 -2.10 -0.10 0.00 0.00 0.00 0.00 36.38 34.04 2wd7 s VAL 8 CO 0.02 0.36 0.92 0.42 0.00 0.00 0.00 175.10 176.82 2wd7 s THR 9 N 1.28 4.32 -1.27 3.92 -4.23 -0.85 -1.82 115.64 116.99 2wd7 s THR 9 Ca 0.02 1.63 -0.04 0.00 -1.18 0.00 0.00 61.69 62.12 2wd7 s THR 9 Cb -0.15 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.85 2wd7 s THR 9 CO -0.09 -0.02 1.08 0.61 -0.54 0.00 0.00 174.62 175.67 2wd7 n GLY 10 N 0.15 -0.44 0.93 3.99 0.00 -1.09 -2.75 105.19 105.97 2wd7 n GLY 10 Ca 0.03 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.34 2wd7 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wd7 n ALA 11 N -4.52 2.47 0.15 4.61 0.00 -0.13 -4.15 120.51 118.93 2wd7 n ALA 11 Ca -0.16 -0.75 0.01 0.00 0.00 0.00 0.00 53.44 52.55 2wd7 n ALA 11 Cb 0.62 -0.91 0.19 0.00 0.00 0.00 0.00 19.45 19.35 2wd7 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wd7 h ALA 12 N 4.52 0.87 -2.42 0.00 0.00 -1.89 -3.02 119.26 117.33 2wd7 h ALA 12 Ca 0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 54.91 54.17 2wd7 h ALA 12 Cb 0.88 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.43 2wd7 h ALA 12 CO 0.00 0.68 -0.64 0.15 0.00 0.00 0.00 179.25 179.44 2wd7 s LYS 13 N -3.42 1.09 3.79 0.00 1.02 -1.26 -4.51 119.74 116.44 2wd7 s LYS 13 Ca 0.00 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.44 2wd7 s LYS 13 Cb 0.11 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.49 2wd7 s LYS 13 CO 0.73 -0.27 0.00 0.54 -0.92 0.00 0.00 175.35 175.44 2wd7 n ARG 14 N -0.22 0.00 -0.08 1.68 1.74 -1.26 -1.41 116.66 117.12 2wd7 n ARG 14 Ca -0.03 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 2wd7 n ARG 14 Cb 0.64 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.03 2wd7 n ARG 14 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2wd7 h ILE 15 N 0.00 1.29 -1.00 0.55 2.04 -1.91 -2.61 117.51 115.87 2wd7 h ILE 15 Ca 0.00 -1.09 0.10 0.00 1.00 0.00 0.00 64.86 64.87 2wd7 h ILE 15 Cb 0.00 1.55 -0.08 0.00 -0.74 0.00 0.00 36.82 37.56 2wd7 h ILE 15 CO 0.00 0.33 0.64 1.23 0.00 0.00 0.00 178.15 180.35 2wd7 h GLY 16 N 0.15 1.59 0.96 5.37 0.00 -1.69 0.18 103.07 109.64 2wd7 h GLY 16 Ca 0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2wd7 h GLY 16 CO 0.03 0.23 0.20 -0.09 0.00 0.00 0.00 176.54 176.90 2wd7 h ARG 17 N 1.06 0.55 -0.39 4.80 2.43 -1.07 -1.14 114.38 120.61 2wd7 h ARG 17 Ca 0.47 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.52 2wd7 h ARG 17 Cb 0.37 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2wd7 h ARG 17 CO -0.23 0.47 0.04 0.00 -1.51 0.00 0.00 179.97 178.74 2wd7 h ALA 18 N 1.05 1.33 0.02 2.80 0.00 -0.95 -0.39 119.26 123.11 2wd7 h ALA 18 Ca 0.13 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wd7 h ALA 18 Cb 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2wd7 h ALA 18 CO -0.02 0.47 -0.01 0.82 0.00 0.00 0.00 179.25 180.51 2wd7 h ILE 19 N 0.59 1.12 -0.76 0.00 2.04 -0.72 -0.69 117.51 119.10 2wd7 h ILE 19 Ca 0.13 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.59 2wd7 h ILE 19 Cb 0.32 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.77 2wd7 h ILE 19 CO 0.01 0.11 0.47 0.00 0.00 0.00 0.00 178.15 178.74 2wd7 h ALA 20 N 0.76 1.01 -0.32 1.87 0.00 -0.94 -0.50 119.26 121.14 2wd7 h ALA 20 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2wd7 h ALA 20 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wd7 h ALA 20 CO 0.00 0.23 0.08 0.28 0.00 0.00 0.00 179.25 179.84 2wd7 h VAL 21 N 0.89 1.22 -0.52 0.00 2.07 -0.97 -1.25 116.25 117.69 2wd7 h VAL 21 Ca 0.32 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 2wd7 h VAL 21 Cb 0.09 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2wd7 h VAL 21 CO -0.14 0.25 0.05 0.11 0.02 0.00 0.00 177.57 177.86 2wd7 h LYS 22 N 0.36 0.89 -0.29 1.57 1.57 -0.87 -0.25 116.57 119.54 2wd7 h LYS 22 Ca 0.10 -0.26 0.05 0.00 -1.87 0.00 0.00 60.65 58.67 2wd7 h LYS 22 Cb 0.30 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 2wd7 h LYS 22 CO 0.00 0.89 0.03 -0.07 -0.57 0.00 0.00 179.45 179.73 2wd7 h LEU 23 N 0.76 -0.05 -0.52 2.94 3.38 -1.08 -1.13 115.31 119.62 2wd7 h LEU 23 Ca 0.15 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.20 2wd7 h LEU 23 Cb 0.45 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2wd7 h LEU 23 CO 0.02 0.01 0.32 -0.74 0.09 0.00 0.00 178.44 178.13 2wd7 h HIS 24 N 0.13 0.59 0.00 1.13 2.76 -0.97 -1.35 115.15 117.44 2wd7 h HIS 24 Ca 0.14 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 2wd7 h HIS 24 Cb 0.16 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 28.93 2wd7 h HIS 24 CO -0.19 0.34 -0.15 1.96 -1.30 0.00 0.00 177.93 178.59 2wd7 h GLN 25 N 0.63 0.00 0.00 5.26 4.20 -0.77 -2.09 115.11 122.34 2wd7 h GLN 25 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2wd7 h GLN 25 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 2wd7 h GLN 25 CO -0.09 0.15 0.00 1.15 -0.67 0.00 0.00 178.83 179.37 2wd7 h THR 26 N 0.00 0.00 0.00 -0.54 2.02 -0.67 -3.47 112.91 110.26 2wd7 h THR 26 Ca -0.00 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.74 2wd7 h THR 26 Cb 0.32 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2wd7 h THR 26 CO 0.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.52 2wd7 n GLY 27 N 0.85 1.03 3.77 2.16 0.00 -0.79 -5.09 105.19 107.11 2wd7 n GLY 27 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 2wd7 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wd7 s TYR 28 N -1.94 3.60 0.18 1.61 1.51 -0.56 -4.41 117.35 117.34 2wd7 s TYR 28 Ca 0.00 1.75 -0.26 0.00 -1.01 0.00 0.00 57.07 57.54 2wd7 s TYR 28 Cb 0.00 -3.11 -0.08 0.00 -0.11 0.00 0.00 41.96 38.65 2wd7 s TYR 28 CO 0.00 -0.22 0.81 1.03 -1.11 0.00 0.00 175.55 176.05 2wd7 s ARG 29 N -1.79 4.62 -0.04 -0.62 0.52 0.06 -4.17 118.95 117.53 2wd7 s ARG 29 Ca 0.48 1.22 0.05 0.00 -0.52 0.00 0.00 55.73 56.96 2wd7 s ARG 29 Cb -0.26 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 2wd7 s ARG 29 CO 0.32 0.56 -0.18 0.14 0.02 0.00 0.00 175.30 176.16 2wd7 s VAL 30 N -1.15 1.50 -0.24 3.52 -7.23 0.71 0.06 120.40 117.56 2wd7 s VAL 30 Ca 0.37 -0.76 -0.18 0.00 -1.81 0.00 0.00 61.98 59.60 2wd7 s VAL 30 Cb -0.24 -1.28 -0.03 0.00 0.56 0.00 0.00 36.38 35.39 2wd7 s VAL 30 CO 0.27 0.43 0.50 -0.69 -0.31 0.00 0.00 175.10 175.31 2wd7 s VAL 31 N -0.03 5.09 -0.74 1.32 1.01 0.13 -1.86 120.40 125.32 2wd7 s VAL 31 Ca -0.03 0.88 -0.18 0.00 0.00 0.00 0.00 61.98 62.65 2wd7 s VAL 31 Cb -0.11 -3.82 0.13 0.00 0.00 0.00 0.00 36.38 32.58 2wd7 s VAL 31 CO 0.02 0.12 0.86 -0.63 0.00 0.00 0.00 175.10 175.47 2wd7 s ILE 32 N 2.09 4.91 0.39 2.22 1.01 0.77 -1.96 121.20 130.63 2wd7 s ILE 32 Ca 0.21 -1.41 -0.24 0.00 0.00 0.00 0.00 60.65 59.22 2wd7 s ILE 32 Cb -0.16 -4.59 -0.09 0.00 0.01 0.00 0.00 42.46 37.63 2wd7 s ILE 32 CO 0.09 -1.24 1.01 -2.28 0.00 0.00 0.00 174.94 172.51 2wd7 s HIS 33 N 2.30 3.38 0.17 3.97 5.65 -0.76 -4.31 115.29 125.70 2wd7 s HIS 33 Ca 0.20 1.67 -0.14 0.00 0.25 0.00 0.00 55.06 57.04 2wd7 s HIS 33 Cb -0.15 -3.03 0.02 0.00 -1.18 0.00 0.00 32.58 28.23 2wd7 s HIS 33 CO -0.01 -0.34 0.42 1.52 -0.65 0.00 0.00 174.74 175.68 2wd7 s TYR 34 N -1.73 0.05 0.00 3.88 -0.85 -1.26 -0.95 117.35 116.49 2wd7 s TYR 34 Ca 0.57 -0.40 0.00 0.00 -0.52 0.00 0.00 57.07 56.71 2wd7 s TYR 34 Cb -0.19 0.22 0.00 0.00 0.38 0.00 0.00 41.96 42.37 2wd7 s TYR 34 CO 0.24 -0.82 0.00 1.58 -1.52 0.00 0.00 175.55 175.03 2wd7 n HIS 35 N -0.28 0.00 -0.02 -3.49 -0.00 -1.26 -1.14 115.22 109.03 2wd7 n HIS 35 Ca -0.10 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.63 2wd7 n HIS 35 Cb 0.63 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.48 2wd7 n HIS 35 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2wd7 n ASN 36 N -2.00 0.29 -3.64 0.26 3.02 -1.26 -4.74 115.26 107.19 2wd7 n ASN 36 Ca 0.00 0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.27 2wd7 n ASN 36 Cb 0.00 1.04 -0.01 0.00 -0.61 0.00 0.00 39.78 40.21 2wd7 n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wd7 n SER 37 N -2.63 5.58 -0.08 6.41 7.64 -1.26 -4.72 113.62 124.55 2wd7 n SER 37 Ca -0.15 -2.86 -0.12 0.00 1.01 0.00 0.00 58.87 56.75 2wd7 n SER 37 Cb 0.85 -1.58 -0.05 0.00 -1.01 0.00 0.00 64.21 62.42 2wd7 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wd7 h ALA 38 N 5.60 0.33 -0.46 -0.43 0.00 -1.97 -1.44 119.26 120.90 2wd7 h ALA 38 Ca 0.62 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 55.19 2wd7 h ALA 38 Cb 0.53 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2wd7 h ALA 38 CO 1.78 0.18 0.12 0.93 0.00 0.00 0.00 179.25 182.26 2wd7 h GLU 39 N 0.21 0.73 -0.46 0.00 5.08 -2.00 -1.38 114.58 116.77 2wd7 h GLU 39 Ca 0.05 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 2wd7 h GLU 39 Cb 0.60 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2wd7 h GLU 39 CO 0.03 0.72 0.10 0.00 -1.00 0.00 0.00 179.01 178.86 2wd7 h ALA 40 N 0.98 0.61 0.52 3.43 0.00 -1.89 -1.18 119.26 121.72 2wd7 h ALA 40 Ca 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2wd7 h ALA 40 Cb 0.31 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wd7 h ALA 40 CO 0.00 0.30 -0.31 0.00 0.00 0.00 0.00 179.25 179.24 2wd7 h ALA 41 N 0.97 -0.80 -0.77 0.00 0.00 -1.10 -0.62 119.26 116.95 2wd7 h ALA 41 Ca 0.14 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2wd7 h ALA 41 Cb 0.34 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 2wd7 h ALA 41 CO 0.00 -0.96 0.42 0.28 0.00 0.00 0.00 179.25 178.99 2wd7 h VAL 42 N -0.79 0.89 -0.51 0.00 2.07 -1.28 -1.19 116.25 115.44 2wd7 h VAL 42 Ca -0.06 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.28 2wd7 h VAL 42 Cb 0.64 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.47 2wd7 h VAL 42 CO 0.07 0.13 0.18 -1.28 0.02 0.00 0.00 177.57 176.69 2wd7 h SER 43 N 0.71 0.18 -0.07 0.57 0.87 -1.10 -1.41 113.55 113.30 2wd7 h SER 43 Ca 0.37 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.98 2wd7 h SER 43 Cb 0.34 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2wd7 h SER 43 CO -0.25 0.13 -0.00 0.25 -0.53 0.00 0.00 176.83 176.43 2wd7 h LEU 44 N 0.36 0.12 -0.81 2.23 5.85 -0.23 -2.18 115.31 120.65 2wd7 h LEU 44 Ca 0.25 -0.31 0.09 0.00 0.84 0.00 0.00 57.88 58.74 2wd7 h LEU 44 Cb 0.27 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 2wd7 h LEU 44 CO -0.25 0.41 0.47 0.00 -0.34 0.00 0.00 178.44 178.72 2wd7 h ALA 45 N 0.72 1.14 -0.18 1.25 0.00 -1.18 -0.76 119.26 120.25 2wd7 h ALA 45 Ca 0.02 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2wd7 h ALA 45 Cb 0.34 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2wd7 h ALA 45 CO 0.00 0.11 -0.28 -0.44 0.00 0.00 0.00 179.25 178.64 2wd7 h ASP 46 N 0.80 -0.89 -0.25 0.00 5.19 -1.21 0.11 116.42 120.17 2wd7 h ASP 46 Ca 0.38 0.14 0.04 0.00 -0.62 0.00 0.00 57.03 56.98 2wd7 h ASP 46 Cb 0.32 0.39 -0.04 0.00 0.18 0.00 0.00 39.33 40.18 2wd7 h ASP 46 CO -0.23 -0.32 -0.01 -0.33 -3.12 0.00 0.00 179.24 175.23 2wd7 h GLU 47 N -0.33 0.06 -0.60 3.56 5.08 -0.65 0.07 114.58 121.76 2wd7 h GLU 47 Ca 0.11 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2wd7 h GLU 47 Cb 0.50 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2wd7 h GLU 47 CO -0.36 0.04 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.61 2wd7 h LEU 48 N 0.06 1.05 -0.87 1.33 3.38 -1.04 -2.94 115.31 116.29 2wd7 h LEU 48 Ca 0.12 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 2wd7 h LEU 48 Cb 0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2wd7 h LEU 48 CO -0.21 1.11 -0.22 0.78 0.09 0.00 0.00 178.44 179.99 2wd7 h ASN 49 N 0.97 0.59 -0.59 -0.43 2.35 -0.60 -1.61 115.58 116.26 2wd7 h ASN 49 Ca 0.17 -0.20 0.08 0.00 -0.55 0.00 0.00 56.30 55.81 2wd7 h ASN 49 Cb 0.57 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 2wd7 h ASN 49 CO 0.03 0.81 0.40 0.11 -1.65 0.00 0.00 177.43 177.13 2wd7 h LYS 50 N 0.52 0.45 0.03 0.81 1.57 -0.83 -2.26 116.57 116.87 2wd7 h LYS 50 Ca 0.08 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.76 2wd7 h LYS 50 Cb 0.66 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.87 2wd7 h LYS 50 CO 0.05 0.30 -0.31 1.49 -0.57 0.00 0.00 179.45 180.41 2wd7 h GLU 51 N 0.47 0.16 -2.75 3.15 4.57 -1.29 -3.43 114.58 115.46 2wd7 h GLU 51 Ca 0.27 -0.21 -0.37 0.00 -1.18 0.00 0.00 59.36 57.87 2wd7 h GLU 51 Cb 0.44 0.07 -0.38 0.00 -0.16 0.00 0.00 28.75 28.72 2wd7 h GLU 51 CO -0.08 1.01 -0.67 1.03 -1.18 0.00 0.00 179.01 179.12 2wd7 s ARG 52 N -2.77 0.13 0.58 1.92 0.52 -0.64 -5.13 118.95 113.56 2wd7 s ARG 52 Ca -0.16 0.11 -0.20 0.00 -0.52 0.00 0.00 55.73 54.96 2wd7 s ARG 52 Cb -0.00 -1.40 -0.03 0.00 0.52 0.00 0.00 34.95 34.03 2wd7 s ARG 52 CO 0.75 -0.65 1.31 -1.54 0.02 0.00 0.00 175.30 175.19 2wd7 s SER 53 N 2.25 5.06 -1.34 0.23 1.04 -0.86 -3.34 113.70 116.74 2wd7 s SER 53 Ca 0.05 2.64 -0.08 0.00 0.48 0.00 0.00 55.95 59.04 2wd7 s SER 53 Cb -0.16 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.35 2wd7 s SER 53 CO -0.11 -1.70 1.16 0.59 0.98 0.00 0.00 173.24 174.16 2wd7 n ASN 54 N -1.39 -5.80 0.00 7.02 3.02 -1.26 -4.92 115.26 111.93 2wd7 n ASN 54 Ca 0.13 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 2wd7 n ASN 54 Cb 0.47 -5.02 0.00 0.00 -0.61 0.00 0.00 39.78 34.62 2wd7 n ASN 54 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2wd7 n THR 55 N -4.90 0.00 -3.77 3.41 -2.24 -1.21 -5.04 114.28 100.53 2wd7 n THR 55 Ca -0.03 -0.43 -0.13 0.00 -2.27 0.00 0.00 64.05 61.20 2wd7 n THR 55 Cb 0.57 1.14 -0.12 0.00 -2.10 0.00 0.00 70.33 69.82 2wd7 n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wd7 s ALA 56 N -0.07 -0.53 0.10 6.98 0.00 -1.26 -0.21 121.76 126.77 2wd7 s ALA 56 Ca 0.00 0.73 0.03 0.00 0.00 0.00 0.00 51.96 52.72 2wd7 s ALA 56 Cb 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2wd7 s ALA 56 CO 0.00 -0.13 -0.08 0.14 0.00 0.00 0.00 175.76 175.69 2wd7 s VAL 57 N 0.50 0.82 0.00 0.00 -7.23 -0.78 -4.91 120.40 108.80 2wd7 s VAL 57 Ca -0.03 -1.86 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 2wd7 s VAL 57 Cb -0.05 -1.60 0.00 0.00 0.56 0.00 0.00 36.38 35.30 2wd7 s VAL 57 CO -0.03 -0.77 0.00 1.33 -0.31 0.00 0.00 175.10 175.33 2wd7 n VAL 58 N 0.12 0.00 -3.74 1.32 0.24 -1.26 -0.16 118.33 114.84 2wd7 n VAL 58 Ca -0.13 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.05 2wd7 n VAL 58 Cb 0.60 -1.01 -0.12 0.00 -1.47 0.00 0.00 33.84 31.84 2wd7 n VAL 58 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2wd7 s GLN 60 N 1.45 0.32 -0.28 7.34 -0.44 -1.26 -4.84 119.66 121.95 2wd7 s GLN 60 Ca 0.00 0.53 -0.22 0.00 -2.50 0.00 0.00 55.36 53.17 2wd7 s GLN 60 Cb 0.00 0.05 0.10 0.00 -1.64 0.00 0.00 33.01 31.52 2wd7 s GLN 60 CO 0.00 -0.10 0.85 0.00 0.50 0.00 0.00 175.29 176.54 2wd7 s ALA 61 N 0.71 -1.93 -0.11 1.58 0.00 -0.29 -4.95 121.76 116.77 2wd7 s ALA 61 Ca -0.04 2.08 -0.29 0.00 0.00 0.00 0.00 51.96 53.71 2wd7 s ALA 61 Cb -0.06 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.66 2wd7 s ALA 61 CO -0.05 -0.31 1.00 0.34 0.00 0.00 0.00 175.76 176.74 2wd7 s ASP 62 N 0.71 7.23 -0.16 0.00 2.15 -1.26 -4.18 116.67 121.16 2wd7 s ASP 62 Ca -0.02 1.51 0.16 0.00 0.43 0.00 0.00 52.55 54.63 2wd7 s ASP 62 Cb -0.05 -2.55 0.67 0.00 -0.30 0.00 0.00 42.92 40.69 2wd7 s ASP 62 CO -0.08 -0.45 1.58 0.18 -0.17 0.00 0.00 175.17 176.24 2wd7 n LEU 63 N 5.02 4.69 -4.76 -1.34 4.77 -1.26 -4.96 117.00 119.16 2wd7 n LEU 63 Ca 0.09 -2.74 -0.39 0.00 -0.03 0.00 0.00 56.01 52.93 2wd7 n LEU 63 Cb 0.49 -0.58 0.01 0.00 -2.33 0.00 0.00 43.42 41.01 2wd7 n LEU 63 CO 0.52 0.71 1.00 -0.89 -1.33 0.00 0.00 177.39 177.39 2wd7 s THR 64 N -2.37 2.37 0.24 -5.08 2.01 -1.26 -2.95 115.64 108.59 2wd7 s THR 64 Ca 0.47 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 62.49 2wd7 s THR 64 Cb 0.35 -3.18 -0.10 0.00 0.01 0.00 0.00 72.50 69.57 2wd7 s THR 64 CO 0.16 0.04 1.45 0.21 -0.69 0.00 0.00 174.62 175.79 2wd7 s ASN 65 N -0.72 6.65 0.18 3.53 2.47 -0.09 -4.73 114.94 122.23 2wd7 s ASN 65 Ca 0.61 2.66 -0.23 0.00 0.42 0.00 0.00 52.86 56.31 2wd7 s ASN 65 Cb -0.40 -2.62 0.07 0.00 -1.45 0.00 0.00 41.25 36.85 2wd7 s ASN 65 CO 0.51 -0.71 1.00 -0.94 -3.72 0.00 0.00 177.10 173.23 2wd7 s SER 66 N 0.44 -0.08 0.32 -4.21 1.04 -1.26 -4.85 113.70 105.11 2wd7 s SER 66 Ca 0.60 -0.56 0.25 0.00 0.48 0.00 0.00 55.95 56.72 2wd7 s SER 66 Cb -0.42 0.51 1.13 0.00 0.10 0.00 0.00 66.02 67.33 2wd7 s SER 66 CO 0.42 -0.97 1.76 0.78 0.98 0.00 0.00 173.24 176.20 2wd7 h ASN 67 N 2.00 0.00 0.19 7.02 -0.26 -2.06 -2.34 115.58 120.13 2wd7 h ASN 67 Ca -0.26 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 2wd7 h ASN 67 Cb 1.23 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 2wd7 h ASN 67 CO 0.31 0.00 -0.83 0.52 -1.06 0.00 0.00 177.43 176.37 2wd7 n VAL 68 N -2.37 0.01 -0.26 2.81 0.31 -1.26 -4.50 118.33 113.07 2wd7 n VAL 68 Ca 0.01 -0.01 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2wd7 n VAL 68 Cb 0.19 0.69 0.19 0.00 -0.91 0.00 0.00 33.84 34.00 2wd7 n VAL 68 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2wd7 h LEU 69 N 0.00 0.34 -0.41 7.52 5.85 -1.71 -1.64 115.31 125.27 2wd7 h LEU 69 Ca 0.00 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.90 2wd7 h LEU 69 Cb 0.51 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 2wd7 h LEU 69 CO 0.00 0.14 0.00 -0.65 -0.34 0.00 0.00 178.44 177.59 2wd7 h PRO 70 N 0.49 0.11 -0.30 5.25 0.11 -1.79 -0.96 132.00 134.90 2wd7 h PRO 70 Ca 0.42 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.59 2wd7 h PRO 70 Cb 0.61 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.64 2wd7 h PRO 70 CO -0.39 0.07 -0.11 0.00 -0.21 0.00 0.00 178.00 177.37 2wd7 h ALA 71 N 1.36 0.16 -0.95 -0.75 0.00 -1.74 -1.03 119.26 116.31 2wd7 h ALA 71 Ca 0.20 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.25 2wd7 h ALA 71 Cb 0.29 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2wd7 h ALA 71 CO -0.33 -0.49 0.63 0.77 0.00 0.00 0.00 179.25 179.82 2wd7 h SER 72 N -0.04 1.07 -0.43 0.00 0.02 -0.87 -1.11 113.55 112.19 2wd7 h SER 72 Ca 0.15 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.96 2wd7 h SER 72 Cb 0.28 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2wd7 h SER 72 CO -0.34 0.76 -0.19 0.00 -1.14 0.00 0.00 176.83 175.93 2wd7 h GLU 74 N 0.72 0.60 -0.54 0.00 5.08 -0.97 -2.57 114.58 116.90 2wd7 h GLU 74 Ca 0.10 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 2wd7 h GLU 74 Cb 0.75 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2wd7 h GLU 74 CO 0.06 0.40 -0.02 1.49 -1.00 0.00 0.00 179.01 179.94 2wd7 h GLU 75 N 0.62 0.95 -0.32 2.33 4.57 -0.93 0.61 114.58 122.41 2wd7 h GLU 75 Ca 0.37 -0.29 0.02 0.00 -1.18 0.00 0.00 59.36 58.28 2wd7 h GLU 75 Cb 0.42 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 2wd7 h GLU 75 CO -0.29 0.95 0.18 0.82 -1.18 0.00 0.00 179.01 179.49 2wd7 h ILE 76 N 0.87 1.02 -0.37 2.32 2.04 -0.96 -0.48 117.51 121.95 2wd7 h ILE 76 Ca 0.16 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 2wd7 h ILE 76 Cb 0.54 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2wd7 h ILE 76 CO 0.03 0.07 -0.00 0.40 0.00 0.00 0.00 178.15 178.64 2wd7 h ILE 77 N 0.36 1.26 -0.71 -0.67 1.08 -1.33 -2.78 117.51 114.73 2wd7 h ILE 77 Ca 0.13 -1.00 0.08 0.00 -0.39 0.00 0.00 64.86 63.68 2wd7 h ILE 77 Cb 0.01 1.18 -0.05 0.00 -3.07 0.00 0.00 36.82 34.90 2wd7 h ILE 77 CO -0.07 0.33 0.47 0.78 -0.69 0.00 0.00 178.15 178.97 2wd7 h ASN 78 N 0.47 0.59 0.41 1.72 2.35 -0.71 -1.70 115.58 118.71 2wd7 h ASN 78 Ca 0.10 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 2wd7 h ASN 78 Cb 0.47 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2wd7 h ASN 78 CO 0.02 0.37 -0.28 0.28 -1.65 0.00 0.00 177.43 176.16 2wd7 h SER 79 N 0.66 0.00 -0.16 5.81 0.02 -0.80 0.66 113.55 119.74 2wd7 h SER 79 Ca 0.32 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.19 2wd7 h SER 79 Cb 0.38 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 2wd7 h SER 79 CO -0.11 0.28 -0.21 0.00 -1.14 0.00 0.00 176.83 175.65 2wd7 h PHE 81 N 0.06 1.11 -0.20 0.00 -1.00 -1.24 0.14 116.94 115.81 2wd7 h PHE 81 Ca 0.02 -0.12 0.03 0.00 2.81 0.00 0.00 57.97 60.71 2wd7 h PHE 81 Cb 0.77 -0.32 -0.03 0.00 3.61 0.00 0.00 35.95 39.98 2wd7 h PHE 81 CO 0.09 0.90 0.01 -0.09 -1.61 0.00 0.00 178.31 177.61 2wd7 h ARG 82 N 1.00 0.08 0.02 1.51 2.43 -0.90 0.13 114.38 118.65 2wd7 h ARG 82 Ca 0.22 -0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.21 2wd7 h ARG 82 Cb 0.32 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.87 2wd7 h ARG 82 CO -0.00 0.05 -0.70 0.00 -1.51 0.00 0.00 179.97 177.81 2wd7 h ALA 83 N 1.16 0.05 -0.00 2.80 0.00 -1.23 -3.41 119.26 118.63 2wd7 h ALA 83 Ca 0.09 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2wd7 h ALA 83 Cb 0.11 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2wd7 h ALA 83 CO -0.15 0.40 -0.08 1.19 0.00 0.00 0.00 179.25 180.62 2wd7 n PHE 84 N -4.15 0.00 -0.96 0.00 0.99 0.03 -5.01 117.46 108.35 2wd7 n PHE 84 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.34 2wd7 n PHE 84 Cb 0.73 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.21 2wd7 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2wd7 n GLY 85 N 0.83 0.80 3.59 1.37 0.00 0.44 -4.95 105.19 107.28 2wd7 n GLY 85 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2wd7 n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wd7 s ARG 86 N -0.12 1.34 -0.25 1.61 1.70 -1.26 -4.93 118.95 117.04 2wd7 s ARG 86 Ca 0.00 -0.61 -0.02 0.00 -0.47 0.00 0.00 55.73 54.63 2wd7 s ARG 86 Cb 0.00 0.54 0.13 0.00 -0.57 0.00 0.00 34.95 35.05 2wd7 s ARG 86 CO 0.00 -0.60 0.32 0.00 -1.08 0.00 0.00 175.30 173.94 2wd7 n ASP 88 N 5.34 0.26 -3.80 0.00 9.92 0.13 -4.95 116.55 123.45 2wd7 n ASP 88 Ca -0.03 0.12 -0.14 0.00 -0.53 0.00 0.00 54.79 54.21 2wd7 n ASP 88 Cb 0.49 0.97 -0.15 0.00 -0.64 0.00 0.00 41.12 41.79 2wd7 n ASP 88 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2wd7 s VAL 89 N -2.85 -0.04 -0.14 2.53 1.01 -0.93 -1.85 120.40 118.13 2wd7 s VAL 89 Ca -0.07 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.07 2wd7 s VAL 89 Cb 0.09 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.39 2wd7 s VAL 89 CO 0.84 0.06 -0.21 -0.22 0.00 0.00 0.00 175.10 175.57 2wd7 s LEU 90 N 0.75 2.16 -0.25 3.92 2.96 -0.85 -0.50 118.68 126.87 2wd7 s LEU 90 Ca -0.06 -0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 53.22 2wd7 s LEU 90 Cb -0.09 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.14 2wd7 s LEU 90 CO -0.02 0.08 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.39 2wd7 s VAL 91 N 0.84 3.48 -0.89 1.68 1.01 0.16 -1.07 120.40 125.61 2wd7 s VAL 91 Ca -0.06 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 2wd7 s VAL 91 Cb -0.15 -2.70 0.14 0.00 0.00 0.00 0.00 36.38 33.67 2wd7 s VAL 91 CO -0.02 0.25 1.04 0.20 0.00 0.00 0.00 175.10 176.57 2wd7 s ASN 92 N 1.45 6.62 -0.12 3.32 0.01 0.37 -2.00 114.94 124.59 2wd7 s ASN 92 Ca 0.03 -2.09 0.05 0.00 -0.71 0.00 0.00 52.86 50.14 2wd7 s ASN 92 Cb -0.16 -2.36 -0.11 0.00 0.41 0.00 0.00 41.25 39.04 2wd7 s ASN 92 CO -0.01 -0.99 -0.05 -3.20 -1.51 0.00 0.00 177.10 171.34 2wd7 n ASN 93 N 6.12 2.73 -4.67 -1.22 5.15 -1.25 -0.94 115.26 121.18 2wd7 n ASN 93 Ca 0.20 -0.04 -0.43 0.00 -0.60 0.00 0.00 54.58 53.70 2wd7 n ASN 93 Cb 0.48 0.23 -0.01 0.00 -0.53 0.00 0.00 39.78 39.95 2wd7 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wd7 n ALA 94 N -2.66 0.98 -3.64 5.20 0.00 -1.11 -4.89 120.51 114.40 2wd7 n ALA 94 Ca -0.20 0.38 -0.09 0.00 0.00 0.00 0.00 53.44 53.53 2wd7 n ALA 94 Cb 0.79 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.95 2wd7 n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wd7 s SER 95 N -0.22 -0.81 0.13 0.00 0.15 -1.26 -4.52 113.70 107.16 2wd7 s SER 95 Ca 0.59 1.38 -0.17 0.00 0.70 0.00 0.00 55.95 58.45 2wd7 s SER 95 Cb -0.61 1.36 -0.07 0.00 -1.71 0.00 0.00 66.02 64.99 2wd7 s SER 95 CO 0.59 -0.22 0.58 0.00 1.20 0.00 0.00 173.24 175.38 2wd7 s ALA 96 N 1.16 3.56 -0.22 5.45 0.00 -1.26 -5.04 121.76 125.41 2wd7 s ALA 96 Ca -0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.83 2wd7 s ALA 96 Cb -0.05 -2.60 0.11 0.00 0.00 0.00 0.00 23.12 20.58 2wd7 s ALA 96 CO -0.13 0.42 0.28 0.12 0.00 0.00 0.00 175.76 176.45 2wd7 s PHE 97 N -1.33 -0.46 -0.11 0.00 2.19 -1.26 -4.85 117.98 112.15 2wd7 s PHE 97 Ca 0.35 0.42 -0.30 0.00 0.33 0.00 0.00 56.93 57.73 2wd7 s PHE 97 Cb -0.17 -0.24 0.12 0.00 -1.31 0.00 0.00 43.02 41.42 2wd7 s PHE 97 CO 0.19 -0.65 0.95 1.52 1.83 0.00 0.00 175.22 179.07 2wd7 s TYR 98 N 2.40 -0.37 0.53 10.12 -0.85 -1.26 -5.16 117.35 122.76 2wd7 s TYR 98 Ca 0.09 0.53 -0.20 0.00 -0.52 0.00 0.00 57.07 56.97 2wd7 s TYR 98 Cb -0.16 0.47 -0.06 0.00 0.38 0.00 0.00 41.96 42.60 2wd7 s TYR 98 CO -0.14 -0.41 1.14 -1.25 -1.52 0.00 0.00 175.55 173.38 2wd7 s PRO 99 N -1.70 3.39 -0.42 -3.49 0.04 -1.26 -4.73 135.00 126.82 2wd7 s PRO 99 Ca -0.00 1.65 0.04 0.00 0.04 0.00 0.00 61.00 62.74 2wd7 s PRO 99 Cb -0.01 -2.06 0.18 0.00 0.04 0.00 0.00 34.50 32.65 2wd7 s PRO 99 CO -0.01 -0.83 0.37 0.25 0.04 0.00 0.00 177.00 176.82 2wd7 n THR 100 N -1.20 -1.02 -1.81 1.26 -2.24 0.22 -5.00 114.28 104.48 2wd7 n THR 100 Ca 0.11 -3.56 -0.41 0.00 -2.27 0.00 0.00 64.05 57.93 2wd7 n THR 100 Cb 0.50 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 2wd7 n THR 100 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2wd7 s PRO 101 N -0.15 3.96 0.27 -0.78 0.04 -1.22 -4.38 135.00 132.73 2wd7 s PRO 101 Ca 0.33 2.50 0.04 0.00 0.04 0.00 0.00 61.00 63.91 2wd7 s PRO 101 Cb 0.05 -2.85 0.36 0.00 0.04 0.00 0.00 34.50 32.09 2wd7 s PRO 101 CO -0.19 -0.63 1.65 -0.07 0.04 0.00 0.00 177.00 177.80 2wd7 h LEU 102 N 2.76 0.33 -4.23 -3.56 3.38 -2.01 -3.52 115.31 108.46 2wd7 h LEU 102 Ca -0.51 -0.15 -0.57 0.00 0.09 0.00 0.00 57.88 56.74 2wd7 h LEU 102 Cb 1.25 -0.09 -0.42 0.00 0.09 0.00 0.00 40.66 41.48 2wd7 h LEU 102 CO 0.63 0.74 -0.77 0.52 0.09 0.00 0.00 178.44 179.65 2wd7 n VAL 103 N -3.99 2.43 0.83 1.22 0.31 -1.26 -5.26 118.33 112.59 2wd7 n VAL 103 Ca -0.02 -4.66 0.13 0.00 -0.01 0.00 0.00 64.34 59.78 2wd7 n VAL 103 Cb 0.52 -1.21 0.37 0.00 -0.91 0.00 0.00 33.84 32.61 2wd7 n VAL 103 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wd7 n GLY 113 N -0.57 -1.46 3.77 2.92 0.00 -1.26 -5.21 105.19 103.40 2wd7 n GLY 113 Ca 0.41 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 2wd7 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wd7 s LYS 114 N -3.06 4.28 0.63 1.61 1.02 -1.26 -5.04 119.74 117.93 2wd7 s LYS 114 Ca 0.11 1.72 -0.13 0.00 0.02 0.00 0.00 55.97 57.68 2wd7 s LYS 114 Cb 0.16 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.65 2wd7 s LYS 114 CO 0.63 -0.08 1.05 0.95 -0.92 0.00 0.00 175.35 176.98 2wd7 s THR 115 N -1.42 4.04 0.34 2.17 -4.23 -1.26 -4.88 115.64 110.41 2wd7 s THR 115 Ca 0.53 0.81 0.01 0.00 -1.18 0.00 0.00 61.69 61.86 2wd7 s THR 115 Cb -0.28 -3.46 0.26 0.00 1.34 0.00 0.00 72.50 70.37 2wd7 s THR 115 CO 0.36 -0.73 2.00 1.62 -0.54 0.00 0.00 174.62 177.33 2wd7 h VAL 116 N -0.08 1.17 -0.57 2.29 3.04 -1.99 -1.40 116.25 118.70 2wd7 h VAL 116 Ca -0.45 -0.31 0.10 0.00 -1.01 0.00 0.00 66.70 65.02 2wd7 h VAL 116 Cb 1.21 0.18 -0.08 0.00 -2.01 0.00 0.00 31.29 30.59 2wd7 h VAL 116 CO 0.58 0.17 0.15 -0.33 -1.01 0.00 0.00 177.57 177.13 2wd7 h GLU 117 N 0.91 0.29 -0.30 4.17 3.07 -2.00 -0.70 114.58 120.03 2wd7 h GLU 117 Ca 0.25 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.05 2wd7 h GLU 117 Cb -0.10 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 2wd7 h GLU 117 CO -0.05 0.19 0.03 1.15 -1.40 0.00 0.00 179.01 178.93 2wd7 h THR 118 N 0.30 1.24 -0.67 1.13 2.02 -1.74 -1.50 112.91 113.70 2wd7 h THR 118 Ca 0.29 -0.85 0.07 0.00 0.77 0.00 0.00 66.41 66.70 2wd7 h THR 118 Cb 0.40 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.97 2wd7 h THR 118 CO -0.35 0.28 0.34 1.56 0.37 0.00 0.00 175.52 177.72 2wd7 h GLN 119 N 0.32 0.59 0.00 6.66 4.20 -0.90 0.11 115.11 126.09 2wd7 h GLN 119 Ca 0.09 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2wd7 h GLN 119 Cb 0.37 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2wd7 h GLN 119 CO 0.01 0.39 -0.00 0.28 -0.67 0.00 0.00 178.83 178.84 2wd7 h VAL 120 N 0.61 1.13 -0.33 -0.54 2.07 -1.10 -1.19 116.25 116.90 2wd7 h VAL 120 Ca 0.31 -0.39 0.06 0.00 0.82 0.00 0.00 66.70 67.51 2wd7 h VAL 120 Cb 0.27 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 2wd7 h VAL 120 CO -0.23 0.10 -0.02 0.00 0.02 0.00 0.00 177.57 177.45 2wd7 h ALA 121 N 0.83 0.28 0.05 1.67 0.00 -0.92 -0.18 119.26 120.98 2wd7 h ALA 121 Ca -0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wd7 h ALA 121 Cb 0.17 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2wd7 h ALA 121 CO 0.00 -0.42 -0.02 0.93 0.00 0.00 0.00 179.25 179.74 2wd7 h GLU 122 N 0.07 -0.06 -0.15 0.00 5.08 -0.80 0.25 114.58 118.98 2wd7 h GLU 122 Ca 0.16 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 2wd7 h GLU 122 Cb 0.22 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2wd7 h GLU 122 CO -0.28 0.44 -0.51 -0.07 -1.00 0.00 0.00 179.01 177.59 2wd7 h LEU 123 N -0.59 0.71 0.08 1.33 3.38 -1.20 -1.57 115.31 117.45 2wd7 h LEU 123 Ca -0.01 -0.60 -0.28 0.00 0.09 0.00 0.00 57.88 57.08 2wd7 h LEU 123 Cb 0.52 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 41.08 2wd7 h LEU 123 CO 0.01 1.19 -1.22 0.40 0.09 0.00 0.00 178.44 178.91 2wd7 h ILE 124 N 0.26 1.38 0.46 1.22 1.08 -1.18 -3.04 117.51 117.70 2wd7 h ILE 124 Ca -0.02 -2.70 -0.01 0.00 -0.39 0.00 0.00 64.86 61.74 2wd7 h ILE 124 Cb 1.14 2.77 -0.02 0.00 -3.07 0.00 0.00 36.82 37.64 2wd7 h ILE 124 CO 0.11 0.80 -0.42 1.23 -0.69 0.00 0.00 178.15 179.19 2wd7 h GLY 125 N 0.91 -1.02 0.92 5.37 0.00 -1.16 -0.28 103.07 107.81 2wd7 h GLY 125 Ca -0.16 0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 2wd7 h GLY 125 CO 0.22 -0.34 -0.13 -0.91 0.00 0.00 0.00 176.54 175.38 2wd7 h THR 126 N -0.88 1.29 0.00 4.70 1.35 -1.16 0.48 112.91 118.69 2wd7 h THR 126 Ca -0.05 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 2wd7 h THR 126 Cb 0.77 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2wd7 h THR 126 CO -0.04 0.39 -0.34 0.78 -0.25 0.00 0.00 175.52 176.07 2wd7 h ASN 127 N 0.39 0.00 0.00 5.36 2.35 -1.61 -3.40 115.58 118.67 2wd7 h ASN 127 Ca 0.07 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2wd7 h ASN 127 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.01 2wd7 h ASN 127 CO 0.04 0.00 -0.10 0.00 -1.65 0.00 0.00 177.43 175.72 2wd7 n ALA 128 N -2.11 3.00 -0.08 -0.83 0.00 -0.59 -4.47 120.51 115.42 2wd7 n ALA 128 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 2wd7 n ALA 128 Cb 0.53 0.08 -0.05 0.00 0.00 0.00 0.00 19.45 20.01 2wd7 n ALA 128 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wd7 h ILE 129 N 0.00 1.30 -0.34 0.00 1.08 -0.76 -1.58 117.51 117.21 2wd7 h ILE 129 Ca 0.00 -1.15 -0.02 0.00 -0.39 0.00 0.00 64.86 63.29 2wd7 h ILE 129 Cb 0.10 1.55 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 2wd7 h ILE 129 CO 0.00 0.36 0.12 0.00 -0.69 0.00 0.00 178.15 177.94 2wd7 h ALA 130 N 0.73 0.44 -0.95 1.87 0.00 -0.29 -0.30 119.26 120.77 2wd7 h ALA 130 Ca 0.06 -0.14 0.15 0.00 0.00 0.00 0.00 54.91 54.97 2wd7 h ALA 130 Cb 0.59 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.15 2wd7 h ALA 130 CO 0.03 0.06 0.56 -1.35 0.00 0.00 0.00 179.25 178.55 2wd7 h PRO 131 N 0.40 0.76 -0.13 0.00 0.11 -1.76 0.18 132.00 131.56 2wd7 h PRO 131 Ca 0.11 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.17 2wd7 h PRO 131 Cb 0.22 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2wd7 h PRO 131 CO -0.01 0.51 0.07 0.35 -0.21 0.00 0.00 178.00 178.71 2wd7 h PHE 132 N 0.79 0.19 -0.46 0.65 3.57 -0.54 -1.36 116.94 119.77 2wd7 h PHE 132 Ca 0.51 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.89 2wd7 h PHE 132 Cb 0.68 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 2wd7 h PHE 132 CO -0.03 0.21 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.03 2wd7 h LEU 133 N 0.11 0.90 -0.95 0.59 3.38 -0.69 -1.53 115.31 117.11 2wd7 h LEU 133 Ca 0.05 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 2wd7 h LEU 133 Cb 0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2wd7 h LEU 133 CO -0.01 1.05 0.27 -0.07 0.09 0.00 0.00 178.44 179.77 2wd7 h LEU 134 N 0.79 0.95 -0.47 1.67 3.38 -0.57 -0.53 115.31 120.52 2wd7 h LEU 134 Ca 0.12 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2wd7 h LEU 134 Cb 0.70 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2wd7 h LEU 134 CO 0.05 0.85 0.04 0.74 0.09 0.00 0.00 178.44 180.21 2wd7 h THR 135 N 1.01 1.26 0.50 0.22 2.02 -1.00 0.31 112.91 117.22 2wd7 h THR 135 Ca 0.23 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 2wd7 h THR 135 Cb 0.21 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 2wd7 h THR 135 CO -0.02 0.35 -0.33 0.24 0.37 0.00 0.00 175.52 176.13 2wd7 h MET 136 N 0.66 -0.77 -0.26 6.66 2.86 -0.91 -0.65 114.93 122.52 2wd7 h MET 136 Ca 0.14 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2wd7 h MET 136 Cb 0.45 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2wd7 h MET 136 CO 0.02 -0.51 0.17 0.77 1.06 0.00 0.00 176.91 178.42 2wd7 h SER 137 N -0.79 0.30 -0.43 1.22 0.02 -1.01 0.12 113.55 112.97 2wd7 h SER 137 Ca -0.06 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 60.97 2wd7 h SER 137 Cb 0.66 -0.07 -0.09 0.00 0.14 0.00 0.00 62.40 63.03 2wd7 h SER 137 CO 0.05 0.22 -0.24 0.15 -1.14 0.00 0.00 176.83 175.86 2wd7 h PHE 138 N 0.35 -0.64 -0.34 3.45 3.57 -0.31 -1.73 116.94 121.28 2wd7 h PHE 138 Ca 0.09 0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 2wd7 h PHE 138 Cb -0.03 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2wd7 h PHE 138 CO -0.06 -0.32 -0.37 0.00 -2.23 0.00 0.00 178.31 175.33 2wd7 h ALA 139 N 1.06 0.70 -0.73 2.41 0.00 -0.75 -3.04 119.26 118.91 2wd7 h ALA 139 Ca 0.20 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2wd7 h ALA 139 Cb 0.48 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2wd7 h ALA 139 CO -0.53 0.66 0.32 0.37 0.00 0.00 0.00 179.25 180.08 2wd7 h GLN 140 N 0.66 1.06 0.00 0.00 5.75 -0.56 -2.43 115.11 119.59 2wd7 h GLN 140 Ca 0.06 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 2wd7 h GLN 140 Cb 0.93 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 29.29 2wd7 h GLN 140 CO 0.09 0.84 -0.04 0.00 -2.65 0.00 0.00 178.83 177.06 2wd7 h ARG 141 N 1.04 0.00 -7.72 1.69 2.47 -1.23 -3.51 114.38 107.12 2wd7 h ARG 141 Ca 0.25 0.00 -0.43 0.00 -1.26 0.00 0.00 59.98 58.53 2wd7 h ARG 141 Cb 0.15 0.00 0.18 0.00 -1.65 0.00 0.00 29.97 28.65 2wd7 h ARG 141 CO -0.03 0.04 0.35 -0.65 0.56 0.00 0.00 179.97 180.24 2wd7 s GLN 142 N -3.60 -0.01 0.00 0.04 -1.52 -0.92 -5.08 119.66 108.57 2wd7 s GLN 142 Ca 0.02 -0.37 0.00 0.00 -1.95 0.00 0.00 55.36 53.06 2wd7 s GLN 142 Cb 0.09 -1.77 0.00 0.00 -0.22 0.00 0.00 33.01 31.11 2wd7 s GLN 142 CO 0.58 -2.86 0.00 -1.13 -0.25 0.00 0.00 175.29 171.63 2wd7 n SER 152 N -4.09 0.00 -3.66 5.90 3.41 -1.26 -5.03 113.62 108.89 2wd7 n SER 152 Ca 0.15 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.49 2wd7 n SER 152 Cb 0.59 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.43 2wd7 n SER 152 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2wd7 s ASN 153 N -0.35 3.25 0.03 4.04 2.47 -1.26 -5.10 114.94 118.02 2wd7 s ASN 153 Ca 0.00 -3.44 -0.21 0.00 0.42 0.00 0.00 52.86 49.63 2wd7 s ASN 153 Cb 0.00 -1.07 -0.06 0.00 -1.45 0.00 0.00 41.25 38.67 2wd7 s ASN 153 CO 0.00 -0.13 0.64 -0.76 -3.72 0.00 0.00 177.10 173.12 2wd7 s LEU 154 N -0.68 4.45 0.13 3.21 1.43 -1.26 -4.83 118.68 121.13 2wd7 s LEU 154 Ca 0.28 1.26 -0.24 0.00 -1.03 0.00 0.00 54.13 54.40 2wd7 s LEU 154 Cb -0.02 -3.00 0.07 0.00 0.03 0.00 0.00 46.19 43.27 2wd7 s LEU 154 CO -0.17 0.12 0.63 -0.94 0.23 0.00 0.00 176.35 176.22 2wd7 s SER 155 N -0.37 -0.56 -0.05 2.29 1.04 -0.77 -1.86 113.70 113.42 2wd7 s SER 155 Ca 0.32 0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.87 2wd7 s SER 155 Cb -0.19 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 2wd7 s SER 155 CO 0.19 -0.91 -0.22 -0.63 0.98 0.00 0.00 173.24 172.66 2wd7 s ILE 156 N -3.47 2.40 -0.13 -1.02 1.01 0.42 -2.02 121.20 118.38 2wd7 s ILE 156 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.70 2wd7 s ILE 156 Cb -0.01 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.60 2wd7 s ILE 156 CO -0.11 0.58 -0.13 -0.69 0.00 0.00 0.00 174.94 174.59 2wd7 s VAL 157 N -0.46 1.42 -0.18 2.92 1.01 -0.23 -0.97 120.40 123.91 2wd7 s VAL 157 Ca 0.05 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 2wd7 s VAL 157 Cb -0.12 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.86 2wd7 s VAL 157 CO 0.01 0.43 0.12 0.20 0.00 0.00 0.00 175.10 175.87 2wd7 s ASN 158 N 1.48 6.16 -0.44 3.32 0.01 -0.10 -0.48 114.94 124.89 2wd7 s ASN 158 Ca 0.04 0.25 -0.27 0.00 -0.71 0.00 0.00 52.86 52.17 2wd7 s ASN 158 Cb -0.13 -2.06 0.03 0.00 0.41 0.00 0.00 41.25 39.49 2wd7 s ASN 158 CO -0.09 0.22 0.99 -0.76 -1.51 0.00 0.00 177.10 175.95 2wd7 s LEU 159 N 0.11 3.90 0.00 0.60 2.01 -0.11 -2.02 118.68 123.16 2wd7 s LEU 159 Ca 0.09 0.34 0.00 0.00 0.01 0.00 0.00 54.13 54.57 2wd7 s LEU 159 Cb -0.11 -3.32 0.00 0.00 0.01 0.00 0.00 46.19 42.77 2wd7 s LEU 159 CO -0.01 -1.06 0.00 0.00 1.01 0.00 0.00 176.35 176.29 2wd7 s ASP 161 N -0.63 -0.48 0.56 0.00 -1.08 -1.26 -4.27 116.67 109.51 2wd7 s ASP 161 Ca 0.00 1.10 0.37 0.00 -0.52 0.00 0.00 52.55 53.50 2wd7 s ASP 161 Cb 0.00 1.60 1.85 0.00 -1.46 0.00 0.00 42.92 44.90 2wd7 s ASP 161 CO 0.00 -0.23 2.12 0.00 0.52 0.00 0.00 175.17 177.58 2wd7 h ALA 162 N 8.13 1.00 -0.59 3.66 0.00 -1.06 -2.99 119.26 127.41 2wd7 h ALA 162 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wd7 h ALA 162 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2wd7 h ALA 162 CO 0.13 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.05 2wd7 n MET 163 N -2.92 3.49 0.29 0.00 2.81 -1.26 -4.62 117.12 114.91 2wd7 n MET 163 Ca -0.01 -2.58 0.15 0.00 -1.81 0.00 0.00 57.70 53.44 2wd7 n MET 163 Cb 0.15 -1.85 0.86 0.00 -0.71 0.00 0.00 33.22 31.68 2wd7 n MET 163 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2wd7 h VAL 164 N 3.70 0.50 -0.03 2.03 3.04 -1.93 0.19 116.25 123.75 2wd7 h VAL 164 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2wd7 h VAL 164 Cb 1.35 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 2wd7 h VAL 164 CO 0.22 0.05 -0.01 0.47 -1.01 0.00 0.00 177.57 177.28 2wd7 n ASP 165 N -3.71 2.96 -3.17 3.17 8.00 -1.26 -4.38 116.55 118.16 2wd7 n ASP 165 Ca -0.02 -1.98 -0.21 0.00 0.71 0.00 0.00 54.79 53.28 2wd7 n ASP 165 Cb 0.14 0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.21 2wd7 n ASP 165 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wd7 n GLN 166 N 1.30 1.34 -1.66 -1.24 6.02 0.64 -5.13 117.38 118.67 2wd7 n GLN 166 Ca 0.14 -3.64 -0.32 0.00 -0.01 0.00 0.00 57.00 53.16 2wd7 n GLN 166 Cb 0.59 -1.71 0.05 0.00 1.02 0.00 0.00 30.24 30.20 2wd7 n GLN 166 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2wd7 s PRO 167 N -2.31 2.75 0.41 -1.09 0.04 -1.06 -4.88 135.00 128.86 2wd7 s PRO 167 Ca 0.40 1.27 -0.26 0.00 0.04 0.00 0.00 61.00 62.45 2wd7 s PRO 167 Cb 0.29 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.78 2wd7 s PRO 167 CO -0.09 -1.27 1.38 0.00 0.04 0.00 0.00 177.00 177.06 2wd7 s MET 169 N -2.25 4.25 -1.30 0.00 1.75 -1.26 -2.73 119.30 117.75 2wd7 s MET 169 Ca 0.57 2.36 0.00 0.00 -1.25 0.00 0.00 55.69 57.37 2wd7 s MET 169 Cb -0.42 -3.07 0.00 0.00 2.84 0.00 0.00 34.83 34.18 2wd7 s MET 169 CO 0.55 -0.41 0.00 0.00 -0.65 0.00 0.00 175.02 174.51 2wd7 n ALA 170 N 1.67 -0.19 -1.53 4.11 0.00 -1.26 -4.92 120.51 118.39 2wd7 n ALA 170 Ca 0.04 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.37 2wd7 n ALA 170 Cb 0.40 -1.50 0.07 0.00 0.00 0.00 0.00 19.45 18.42 2wd7 n ALA 170 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wd7 n PHE 171 N -2.54 3.08 -0.02 0.00 3.01 -1.11 -0.61 117.46 119.27 2wd7 n PHE 171 Ca -0.12 -2.78 -0.09 0.00 1.01 0.00 0.00 57.45 55.47 2wd7 n PHE 171 Cb 0.46 -1.12 -0.02 0.00 -0.01 0.00 0.00 39.48 38.78 2wd7 n PHE 171 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2wd7 h SER 172 N 2.03 -0.54 -0.27 4.37 0.02 -1.85 -1.12 113.55 116.19 2wd7 h SER 172 Ca 0.54 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.58 2wd7 h SER 172 Cb 1.05 0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 2wd7 h SER 172 CO 1.34 -0.21 0.11 -0.07 -1.14 0.00 0.00 176.83 176.86 2wd7 h LEU 173 N -0.19 0.37 -0.40 5.07 3.38 -1.89 0.25 115.31 121.90 2wd7 h LEU 173 Ca 0.11 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.99 2wd7 h LEU 173 Cb 0.36 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 2wd7 h LEU 173 CO -0.29 0.43 0.03 0.22 0.09 0.00 0.00 178.44 178.92 2wd7 h TYR 174 N 0.29 0.03 -0.42 1.13 3.20 -1.82 -0.73 116.97 118.66 2wd7 h TYR 174 Ca 0.09 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.87 2wd7 h TYR 174 Cb 0.17 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 2wd7 h TYR 174 CO -0.01 -0.05 -0.23 -0.97 -1.64 0.00 0.00 178.16 175.27 2wd7 h ASN 175 N 0.14 0.88 -0.30 -2.11 -1.24 -0.83 -1.63 115.58 110.49 2wd7 h ASN 175 Ca 0.20 -0.33 0.04 0.00 0.71 0.00 0.00 56.30 56.92 2wd7 h ASN 175 Cb 0.26 -0.24 -0.04 0.00 0.73 0.00 0.00 38.32 39.04 2wd7 h ASN 175 CO -0.30 1.07 0.07 0.24 -1.29 0.00 0.00 177.43 177.22 2wd7 h MET 176 N 0.74 0.18 -0.48 6.67 2.86 -0.38 -0.34 114.93 124.17 2wd7 h MET 176 Ca 0.10 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.77 2wd7 h MET 176 Cb 0.77 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.35 2wd7 h MET 176 CO 0.06 0.12 0.24 0.78 1.06 0.00 0.00 176.91 179.17 2wd7 h GLY 177 N 0.18 0.67 1.17 8.32 0.00 -0.76 -1.54 103.07 111.12 2wd7 h GLY 177 Ca 0.14 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 2wd7 h GLY 177 CO -0.17 0.11 -0.02 0.50 0.00 0.00 0.00 176.54 176.96 2wd7 h LYS 178 N 0.48 0.99 -0.50 4.80 1.79 -1.17 -1.81 116.57 121.15 2wd7 h LYS 178 Ca 0.21 -0.31 0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2wd7 h LYS 178 Cb 0.12 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.63 2wd7 h LYS 178 CO -0.15 0.98 0.23 0.45 -1.08 0.00 0.00 179.45 179.88 2wd7 h HIS 179 N 0.91 0.41 -0.55 -1.35 3.86 -0.89 -2.24 115.15 115.31 2wd7 h HIS 179 Ca 0.16 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2wd7 h HIS 179 Cb 0.55 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 2wd7 h HIS 179 CO 0.04 0.18 0.33 0.00 0.86 0.00 0.00 177.93 179.34 2wd7 h ALA 180 N 1.29 1.56 -0.32 2.45 0.00 -1.15 -2.19 119.26 120.90 2wd7 h ALA 180 Ca 0.23 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2wd7 h ALA 180 Cb 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2wd7 h ALA 180 CO -0.19 0.39 -0.16 1.25 0.00 0.00 0.00 179.25 180.54 2wd7 h LEU 181 N 0.75 0.57 -0.07 0.00 5.85 -0.90 0.20 115.31 121.71 2wd7 h LEU 181 Ca 0.20 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2wd7 h LEU 181 Cb -0.04 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 2wd7 h LEU 181 CO -0.04 0.75 0.04 0.58 -0.34 0.00 0.00 178.44 179.43 2wd7 h VAL 182 N 0.52 1.02 -0.57 1.05 2.07 -0.87 -0.09 116.25 119.38 2wd7 h VAL 182 Ca 0.09 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.61 2wd7 h VAL 182 Cb 0.58 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 2wd7 h VAL 182 CO 0.04 0.02 0.31 1.23 0.02 0.00 0.00 177.57 179.19 2wd7 h GLY 183 N 0.08 0.81 0.98 2.17 0.00 -0.82 -1.33 103.07 104.96 2wd7 h GLY 183 Ca 0.02 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 2wd7 h GLY 183 CO -0.01 0.15 0.19 -2.00 0.00 0.00 0.00 176.54 174.88 2wd7 h LEU 184 N 0.60 0.37 -0.44 3.11 5.85 -0.48 0.02 115.31 124.34 2wd7 h LEU 184 Ca 0.25 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 59.01 2wd7 h LEU 184 Cb 0.12 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 40.98 2wd7 h LEU 184 CO -0.15 0.31 -0.07 0.74 -0.34 0.00 0.00 178.44 178.93 2wd7 h THR 185 N 0.40 0.60 -0.04 1.05 2.02 -0.40 0.18 112.91 116.73 2wd7 h THR 185 Ca 0.11 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2wd7 h THR 185 Cb 0.00 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2wd7 h THR 185 CO -0.02 0.01 -0.01 1.56 0.37 0.00 0.00 175.52 177.42 2wd7 h GLN 186 N 0.04 0.08 -0.46 6.66 4.20 -1.09 -0.82 115.11 123.71 2wd7 h GLN 186 Ca 0.21 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2wd7 h GLN 186 Cb 0.32 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 2wd7 h GLN 186 CO -0.42 0.43 0.24 0.77 -0.67 0.00 0.00 178.83 179.17 2wd7 h SER 187 N -0.27 0.60 0.01 1.46 0.02 -0.78 -2.20 113.55 112.38 2wd7 h SER 187 Ca 0.01 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.69 2wd7 h SER 187 Cb 0.40 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2wd7 h SER 187 CO 0.00 0.54 -0.55 0.00 -1.14 0.00 0.00 176.83 175.69 2wd7 h ALA 188 N 1.08 0.68 -0.30 3.77 0.00 -0.67 -2.19 119.26 121.64 2wd7 h ALA 188 Ca 0.16 -0.51 0.04 0.00 0.00 0.00 0.00 54.91 54.60 2wd7 h ALA 188 Cb 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2wd7 h ALA 188 CO -0.02 0.69 0.05 0.00 0.00 0.00 0.00 179.25 179.96 2wd7 h ALA 189 N 0.95 0.30 0.21 0.00 0.00 -1.04 -0.46 119.26 119.22 2wd7 h ALA 189 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wd7 h ALA 189 Cb 1.09 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wd7 h ALA 189 CO 0.10 -0.36 -0.10 1.25 0.00 0.00 0.00 179.25 180.14 2wd7 h LEU 190 N 0.15 -0.24 -0.65 0.00 5.85 -1.30 -2.57 115.31 116.55 2wd7 h LEU 190 Ca 0.14 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 2wd7 h LEU 190 Cb 0.16 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2wd7 h LEU 190 CO -0.20 -0.16 -0.38 -0.08 -0.34 0.00 0.00 178.44 177.28 2wd7 h GLU 191 N -0.28 0.62 -0.00 1.25 4.81 -1.27 -3.24 114.58 116.47 2wd7 h GLU 191 Ca -0.03 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2wd7 h GLU 191 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2wd7 h GLU 191 CO 0.05 0.90 -0.58 1.28 -0.73 0.00 0.00 179.01 179.92 2wd7 n LEU 192 N -4.04 0.97 -0.25 1.64 4.77 -0.19 -4.32 117.00 115.57 2wd7 n LEU 192 Ca -0.02 -0.30 0.06 0.00 -0.03 0.00 0.00 56.01 55.72 2wd7 n LEU 192 Cb 0.51 -0.12 0.19 0.00 -2.33 0.00 0.00 43.42 41.67 2wd7 n LEU 192 CO 0.45 0.21 0.96 0.00 -1.33 0.00 0.00 177.39 177.68 2wd7 h ALA 193 N 3.27 0.99 0.00 -1.18 0.00 -1.48 -0.11 119.26 120.75 2wd7 h ALA 193 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wd7 h ALA 193 Cb 0.54 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2wd7 h ALA 193 CO 0.00 -0.30 0.00 -0.35 0.00 0.00 0.00 179.25 178.60 2wd7 n PRO 194 N -5.11 0.02 -0.08 0.00 -0.05 -1.26 -1.21 135.00 127.30 2wd7 n PRO 194 Ca 0.14 0.29 0.12 0.00 -0.05 0.00 0.00 63.50 64.00 2wd7 n PRO 194 Cb 0.45 -1.53 0.33 0.00 -0.05 0.00 0.00 33.50 32.70 2wd7 n PRO 194 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 2wd7 n TYR 195 N -1.57 0.22 -1.09 0.54 4.02 -0.07 -4.94 117.16 114.27 2wd7 n TYR 195 Ca 0.03 -0.11 -0.03 0.00 -0.01 0.00 0.00 57.90 57.78 2wd7 n TYR 195 Cb 0.16 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.46 2wd7 n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wd7 n GLY 196 N 1.25 0.56 3.62 2.72 0.00 -0.35 -5.02 105.19 107.97 2wd7 n GLY 196 Ca 0.17 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 2wd7 n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wd7 s ILE 197 N -1.86 5.17 0.13 -0.61 1.01 -1.11 -4.20 121.20 119.73 2wd7 s ILE 197 Ca 0.00 0.61 -0.08 0.00 0.00 0.00 0.00 60.65 61.18 2wd7 s ILE 197 Cb 0.00 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.70 2wd7 s ILE 197 CO 0.00 0.17 0.42 -0.13 0.00 0.00 0.00 174.94 175.40 2wd7 s ARG 198 N 1.97 3.73 -0.08 2.79 0.52 -0.78 -3.87 118.95 123.24 2wd7 s ARG 198 Ca 0.16 0.12 -0.01 0.00 -0.52 0.00 0.00 55.73 55.48 2wd7 s ARG 198 Cb -0.16 -2.89 0.03 0.00 0.52 0.00 0.00 34.95 32.45 2wd7 s ARG 198 CO 0.09 0.49 -0.02 0.08 0.02 0.00 0.00 175.30 175.96 2wd7 s VAL 199 N -1.55 0.56 0.30 3.52 1.01 -1.26 -0.44 120.40 122.53 2wd7 s VAL 199 Ca 0.38 -0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.40 2wd7 s VAL 199 Cb -0.13 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2wd7 s VAL 199 CO 0.21 0.28 0.21 0.20 0.00 0.00 0.00 175.10 176.00 2wd7 s ASN 200 N 1.79 1.31 0.10 3.32 0.01 -0.14 -0.61 114.94 120.72 2wd7 s ASN 200 Ca 0.03 -1.63 0.03 0.00 -0.71 0.00 0.00 52.86 50.58 2wd7 s ASN 200 Cb -0.13 0.48 -0.04 0.00 0.41 0.00 0.00 41.25 41.98 2wd7 s ASN 200 CO -0.05 -0.97 -0.08 -0.83 -1.51 0.00 0.00 177.10 173.66 2wd7 s GLY 201 N -3.33 0.79 -0.08 0.66 0.00 0.25 -0.93 107.32 104.68 2wd7 s GLY 201 Ca 0.39 -1.26 0.03 0.00 0.00 0.00 0.00 44.72 43.88 2wd7 s GLY 201 CO 0.21 -1.35 -0.18 0.14 0.00 0.00 0.00 173.10 171.93 2wd7 s VAL 202 N -3.05 1.57 -0.42 1.40 1.01 -0.86 -0.68 120.40 119.38 2wd7 s VAL 202 Ca 0.08 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.35 2wd7 s VAL 202 Cb 0.01 -1.38 0.11 0.00 0.00 0.00 0.00 36.38 35.12 2wd7 s VAL 202 CO -0.02 0.45 0.16 0.00 0.00 0.00 0.00 175.10 175.68 2wd7 s ALA 203 N 0.48 3.10 0.71 5.51 0.00 -0.03 -0.34 121.76 131.19 2wd7 s ALA 203 Ca -0.16 -2.79 -0.13 0.00 0.00 0.00 0.00 51.96 48.88 2wd7 s ALA 203 Cb -0.17 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 20.84 2wd7 s ALA 203 CO 0.06 -1.82 1.12 -2.14 0.00 0.00 0.00 175.76 172.97 2wd7 s PRO 204 N 0.55 2.50 0.00 0.00 0.02 -1.26 -1.13 135.00 135.68 2wd7 s PRO 204 Ca 0.13 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.52 2wd7 s PRO 204 Cb -0.21 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.39 2wd7 s PRO 204 CO -0.05 -1.48 0.00 0.41 -0.33 0.00 0.00 177.00 175.55 2wd7 n GLY 205 N -0.59 -0.21 3.17 0.52 0.00 -1.21 -0.72 105.19 106.15 2wd7 n GLY 205 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2wd7 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wd7 s VAL 206 N 0.00 2.53 0.00 1.61 1.01 -1.26 -4.84 120.40 119.44 2wd7 s VAL 206 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2wd7 s VAL 206 Cb 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 36.38 34.17 2wd7 s VAL 206 CO 0.00 0.34 0.00 -0.24 0.00 0.00 0.00 175.10 175.20 2wd7 n SER 207 N 4.64 0.00 -4.67 3.32 2.88 -1.26 -1.58 113.62 116.95 2wd7 n SER 207 Ca -0.18 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 56.91 2wd7 n SER 207 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 2wd7 n SER 207 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wd7 n LEU 208 N 0.00 3.83 -4.83 2.46 4.77 -1.22 -4.61 117.00 117.39 2wd7 n LEU 208 Ca 0.00 0.95 -0.32 0.00 -0.03 0.00 0.00 56.01 56.60 2wd7 n LEU 208 Cb 0.00 -1.46 -0.02 0.00 -2.33 0.00 0.00 43.42 39.60 2wd7 n LEU 208 CO 0.00 0.08 0.69 -0.76 -1.33 0.00 0.00 177.39 176.07 2wd7 s LEU 209 N 3.93 3.61 0.15 2.23 1.43 -1.26 -4.95 118.68 123.82 2wd7 s LEU 209 Ca 0.89 1.66 -0.34 0.00 -1.03 0.00 0.00 54.13 55.30 2wd7 s LEU 209 Cb -0.55 -4.52 -0.15 0.00 0.03 0.00 0.00 46.19 40.99 2wd7 s LEU 209 CO 0.45 -0.74 1.36 -2.65 0.23 0.00 0.00 176.35 175.00 2wd7 n PRO 210 N -1.63 1.51 -0.34 1.29 -0.02 -1.26 -4.86 135.00 129.68 2wd7 n PRO 210 Ca 0.07 0.54 0.11 0.00 -2.02 0.00 0.00 63.50 62.20 2wd7 n PRO 210 Cb 0.54 -2.18 0.28 0.00 -0.02 0.00 0.00 33.50 32.12 2wd7 n PRO 210 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wd7 h VAL 211 N 3.20 0.74 0.00 -1.45 2.07 -2.03 -0.99 116.25 117.79 2wd7 h VAL 211 Ca -0.46 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.80 2wd7 h VAL 211 Cb 1.31 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2wd7 h VAL 211 CO 0.78 0.14 0.00 0.00 0.02 0.00 0.00 177.57 178.51 2wd7 h ALA 212 N 1.61 1.00 -2.77 1.67 0.00 -2.04 -3.46 119.26 115.26 2wd7 h ALA 212 Ca 0.54 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.92 2wd7 h ALA 212 Cb 0.77 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.63 2wd7 h ALA 212 CO -0.36 0.00 0.76 1.41 0.00 0.00 0.00 179.25 181.06 2wd7 s MET 213 N -3.28 4.25 0.81 0.00 0.00 -0.38 -4.99 119.30 115.71 2wd7 s MET 213 Ca 0.07 2.33 -0.11 0.00 0.00 0.00 0.00 55.69 57.98 2wd7 s MET 213 Cb 0.09 -3.09 0.08 0.00 0.00 0.00 0.00 34.83 31.91 2wd7 s MET 213 CO 0.58 -0.42 1.10 0.20 0.00 0.00 0.00 175.02 176.47 2wd7 s GLY 214 N 0.26 1.67 0.33 2.11 0.00 -1.26 -4.90 107.32 105.54 2wd7 s GLY 214 Ca 0.58 0.25 0.13 0.00 0.00 0.00 0.00 44.72 45.67 2wd7 s GLY 214 CO 0.46 0.63 1.74 -2.09 0.00 0.00 0.00 173.10 173.83 2wd7 h GLU 215 N -1.29 0.00 -0.37 2.90 4.81 -1.98 -2.31 114.58 116.35 2wd7 h GLU 215 Ca -0.45 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.69 2wd7 h GLU 215 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2wd7 h GLU 215 CO 0.51 0.47 -0.14 1.49 -0.73 0.00 0.00 179.01 180.61 2wd7 h GLU 216 N 0.00 0.74 -0.61 1.92 4.81 -2.00 -2.30 114.58 117.14 2wd7 h GLU 216 Ca -0.00 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 58.86 2wd7 h GLU 216 Cb 0.85 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 2wd7 h GLU 216 CO 0.06 0.91 0.16 0.93 -0.73 0.00 0.00 179.01 180.34 2wd7 h GLU 217 N 0.53 0.98 -0.79 1.92 5.08 -1.90 -1.89 114.58 118.51 2wd7 h GLU 217 Ca 0.09 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2wd7 h GLU 217 Cb 0.67 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 2wd7 h GLU 217 CO 0.05 0.89 0.51 0.87 -1.00 0.00 0.00 179.01 180.33 2wd7 h LYS 218 N 0.89 0.99 -0.11 2.33 1.57 -1.33 -0.96 116.57 119.95 2wd7 h LYS 218 Ca 0.19 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 2wd7 h LYS 218 Cb 0.34 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2wd7 h LYS 218 CO 0.00 0.66 -0.55 -0.44 -0.57 0.00 0.00 179.45 178.55 2wd7 h ASP 219 N 1.02 0.37 0.13 0.86 3.32 -1.32 -1.04 116.42 119.76 2wd7 h ASP 219 Ca 0.30 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.17 2wd7 h ASP 219 Cb -0.05 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 2wd7 h ASP 219 CO -0.09 0.84 -0.27 0.50 -1.72 0.00 0.00 179.24 178.50 2wd7 h LYS 220 N 0.26 -0.48 -0.57 3.56 3.64 -0.53 -1.57 116.57 120.88 2wd7 h LYS 220 Ca 0.00 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2wd7 h LYS 220 Cb 1.04 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 2wd7 h LYS 220 CO 0.09 -0.32 0.35 -1.49 -2.27 0.00 0.00 179.45 175.81 2wd7 h TRP 221 N -0.49 0.75 -0.94 1.91 4.06 -1.07 -2.78 115.95 117.38 2wd7 h TRP 221 Ca 0.03 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.03 2wd7 h TRP 221 Cb 0.51 -0.25 -0.06 0.00 -1.00 0.00 0.00 29.16 28.37 2wd7 h TRP 221 CO -0.24 0.50 0.61 0.00 -3.56 0.00 0.00 178.44 175.76 2wd7 h ARG 222 N 0.77 1.09 0.00 0.49 3.08 -1.05 -1.52 114.38 117.25 2wd7 h ARG 222 Ca 0.21 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2wd7 h ARG 222 Cb -0.03 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.77 2wd7 h ARG 222 CO -0.04 0.72 0.00 0.54 -1.07 0.00 0.00 179.97 180.12 2wd7 n ARG 223 N -4.47 0.19 0.17 0.04 1.74 -0.60 -2.56 116.66 111.16 2wd7 n ARG 223 Ca 0.14 0.47 0.08 0.00 -0.77 0.00 0.00 57.85 57.77 2wd7 n ARG 223 Cb 0.16 -1.90 0.09 0.00 -1.02 0.00 0.00 32.46 29.79 2wd7 n ARG 223 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wd7 h LYS 224 N 0.00 0.00 -6.41 5.56 1.57 -1.24 -3.46 116.57 112.59 2wd7 h LYS 224 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2wd7 h LYS 224 Cb 0.30 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.56 2wd7 h LYS 224 CO 0.00 0.17 0.94 0.08 -0.57 0.00 0.00 179.45 180.07 2wd7 s VAL 225 N -3.14 4.23 0.20 0.50 1.01 -1.06 -4.79 120.40 117.36 2wd7 s VAL 225 Ca 0.04 1.37 -0.10 0.00 0.00 0.00 0.00 61.98 63.29 2wd7 s VAL 225 Cb 0.07 -4.30 0.14 0.00 0.00 0.00 0.00 36.38 32.29 2wd7 s VAL 225 CO 0.72 -0.58 1.72 -0.65 0.00 0.00 0.00 175.10 176.31 2wd7 h PRO 226 N 9.07 0.31 -5.04 2.72 0.11 -1.85 -1.67 132.00 135.65 2wd7 h PRO 226 Ca -0.24 -0.02 -0.69 0.00 0.11 0.00 0.00 66.00 65.16 2wd7 h PRO 226 Cb 1.08 -0.07 -0.17 0.00 0.11 0.00 0.00 31.00 31.95 2wd7 h PRO 226 CO 1.05 0.20 0.88 -1.17 -0.21 0.00 0.00 178.00 178.75 2wd7 s LEU 227 N -10.46 5.02 0.00 2.35 2.96 -0.64 -4.24 118.68 113.67 2wd7 s LEU 227 Ca -0.13 -2.08 0.00 0.00 -0.22 0.00 0.00 54.13 51.70 2wd7 s LEU 227 Cb 0.17 -2.40 0.00 0.00 0.50 0.00 0.00 46.19 44.46 2wd7 s LEU 227 CO 0.74 -1.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 2wd7 n GLY 228 N 5.45 0.12 3.96 7.98 0.00 -1.26 -4.38 105.19 117.07 2wd7 n GLY 228 Ca 0.25 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.00 2wd7 n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wd7 n ARG 229 N -2.00 -3.76 -3.70 1.61 3.00 -0.63 -4.95 116.66 106.23 2wd7 n ARG 229 Ca 0.00 0.45 -0.10 0.00 -0.01 0.00 0.00 57.85 58.20 2wd7 n ARG 229 Cb 0.00 -4.82 -0.03 0.00 0.00 0.00 0.00 32.46 27.60 2wd7 n ARG 229 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2wd7 s ARG 230 N -6.54 1.43 0.58 5.56 1.70 -1.18 -4.42 118.95 116.09 2wd7 s ARG 230 Ca 0.20 -0.82 -0.11 0.00 -0.47 0.00 0.00 55.73 54.54 2wd7 s ARG 230 Cb -0.10 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 2wd7 s ARG 230 CO 0.88 -0.62 0.98 -1.83 -1.08 0.00 0.00 175.30 173.62 2wd7 s GLU 231 N -3.86 3.63 0.35 3.89 1.03 -1.26 -4.85 118.70 117.63 2wd7 s GLU 231 Ca 0.08 0.68 -0.28 0.00 0.03 0.00 0.00 54.97 55.48 2wd7 s GLU 231 Cb -0.02 -2.14 -0.10 0.00 -0.80 0.00 0.00 34.13 31.07 2wd7 s GLU 231 CO -0.03 -0.46 1.28 0.00 -1.33 0.00 0.00 175.26 174.72 2wd7 s ALA 232 N -3.03 3.40 0.62 -0.84 0.00 -0.61 -4.93 121.76 116.37 2wd7 s ALA 232 Ca 0.54 1.21 -0.17 0.00 0.00 0.00 0.00 51.96 53.53 2wd7 s ALA 232 Cb -0.11 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 2wd7 s ALA 232 CO 0.49 -0.65 1.17 -1.54 0.00 0.00 0.00 175.76 175.24 2wd7 s SER 233 N -0.63 5.09 0.48 0.00 1.04 -1.26 -3.45 113.70 114.96 2wd7 s SER 233 Ca 0.51 2.27 0.20 0.00 0.48 0.00 0.00 55.95 59.41 2wd7 s SER 233 Cb -0.38 -2.58 1.21 0.00 0.10 0.00 0.00 66.02 64.37 2wd7 s SER 233 CO 0.50 -1.66 1.98 0.00 0.98 0.00 0.00 173.24 175.04 2wd7 h ALA 234 N 0.56 2.27 -0.29 5.32 0.00 -1.96 -2.16 119.26 123.01 2wd7 h ALA 234 Ca -0.49 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 2wd7 h ALA 234 Cb 1.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2wd7 h ALA 234 CO 0.54 -0.43 -0.22 0.93 0.00 0.00 0.00 179.25 180.08 2wd7 h GLU 235 N 0.21 0.54 -0.27 0.00 3.07 -1.93 -1.34 114.58 114.87 2wd7 h GLU 235 Ca 0.28 -0.19 -0.11 0.00 -0.50 0.00 0.00 59.36 58.84 2wd7 h GLU 235 Cb 0.83 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 2wd7 h GLU 235 CO -0.05 0.72 -0.30 1.96 -1.40 0.00 0.00 179.01 179.93 2wd7 h GLN 236 N 0.48 0.55 -0.31 2.33 4.20 -1.76 -0.47 115.11 120.13 2wd7 h GLN 236 Ca 0.07 -0.24 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 2wd7 h GLN 236 Cb 0.64 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.39 2wd7 h GLN 236 CO 0.05 0.79 -0.00 0.82 -0.67 0.00 0.00 178.83 179.82 2wd7 h ILE 237 N 0.47 1.26 -0.86 2.54 1.08 -1.39 -3.20 117.51 117.41 2wd7 h ILE 237 Ca 0.06 -0.95 0.01 0.00 -0.39 0.00 0.00 64.86 63.59 2wd7 h ILE 237 Cb 0.77 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.74 2wd7 h ILE 237 CO 0.06 0.31 0.57 0.00 -0.69 0.00 0.00 178.15 178.39 2wd7 h ALA 238 N 0.84 1.09 -0.98 1.87 0.00 -0.97 -2.25 119.26 118.86 2wd7 h ALA 238 Ca 0.09 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.17 2wd7 h ALA 238 Cb 0.44 -0.34 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 2wd7 h ALA 238 CO 0.02 0.48 0.55 -0.44 0.00 0.00 0.00 179.25 179.86 2wd7 h ASP 239 N 1.15 0.63 0.21 0.00 3.32 -1.08 0.02 116.42 120.67 2wd7 h ASP 239 Ca 0.32 0.13 -0.16 0.00 0.02 0.00 0.00 57.03 57.34 2wd7 h ASP 239 Cb -0.11 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2wd7 h ASP 239 CO -0.08 0.13 -0.59 0.00 -1.72 0.00 0.00 179.24 176.98 2wd7 h ALA 240 N 1.70 0.76 -0.18 3.45 0.00 -1.45 -1.98 119.26 121.56 2wd7 h ALA 240 Ca 0.61 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wd7 h ALA 240 Cb 1.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2wd7 h ALA 240 CO -0.46 0.71 0.06 0.28 0.00 0.00 0.00 179.25 179.84 2wd7 h VAL 241 N 0.29 1.17 -0.68 0.00 2.07 -1.12 -2.21 116.25 115.77 2wd7 h VAL 241 Ca -0.00 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 67.00 2wd7 h VAL 241 Cb 1.12 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 2wd7 h VAL 241 CO 0.10 0.17 0.43 0.40 0.02 0.00 0.00 177.57 178.69 2wd7 h ILE 242 N 0.13 1.11 -0.20 4.57 1.08 -0.98 -1.88 117.51 121.34 2wd7 h ILE 242 Ca 0.06 -0.29 0.01 0.00 -0.39 0.00 0.00 64.86 64.25 2wd7 h ILE 242 Cb 0.20 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.12 2wd7 h ILE 242 CO -0.00 0.16 0.09 0.15 -0.69 0.00 0.00 178.15 177.86 2wd7 h PHE 243 N 0.86 0.18 0.00 1.37 3.57 -1.26 -2.44 116.94 119.22 2wd7 h PHE 243 Ca 0.27 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 2wd7 h PHE 243 Cb -0.01 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 2wd7 h PHE 243 CO -0.04 0.10 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.81 2wd7 h LEU 244 N 0.21 0.00 0.00 0.59 3.38 -0.91 -2.53 115.31 116.05 2wd7 h LEU 244 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wd7 h LEU 244 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2wd7 h LEU 244 CO -0.06 0.26 -0.36 -0.37 0.09 0.00 0.00 178.44 178.01 2wd7 h VAL 245 N 0.00 0.00 -4.25 1.22 -1.51 -1.33 -3.45 116.25 106.93 2wd7 h VAL 245 Ca -0.00 -0.91 -0.48 0.00 -1.23 0.00 0.00 66.70 64.08 2wd7 h VAL 245 Cb 0.47 1.73 0.12 0.00 -2.13 0.00 0.00 31.29 31.48 2wd7 h VAL 245 CO 0.03 0.00 0.32 -0.94 -1.23 0.00 0.00 177.57 175.75 2wd7 s SER 246 N -5.64 4.04 0.17 4.19 1.04 -0.92 -4.95 113.70 111.63 2wd7 s SER 246 Ca 0.05 1.18 0.16 0.00 0.48 0.00 0.00 55.95 57.82 2wd7 s SER 246 Cb 0.08 -1.85 0.75 0.00 0.10 0.00 0.00 66.02 65.10 2wd7 s SER 246 CO 0.70 -2.24 1.49 0.61 0.98 0.00 0.00 173.24 174.78 2wd7 n GLY 247 N -2.08 -0.92 0.05 7.32 0.00 -1.26 -2.51 105.19 105.79 2wd7 n GLY 247 Ca 0.07 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.31 2wd7 n GLY 247 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wd7 n SER 248 N -1.94 0.15 -0.45 1.61 7.64 -1.26 -3.59 113.62 115.77 2wd7 n SER 248 Ca 0.01 -1.12 0.06 0.00 1.01 0.00 0.00 58.87 58.83 2wd7 n SER 248 Cb 0.11 -0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.43 2wd7 n SER 248 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wd7 n ALA 249 N -0.85 2.61 0.32 -0.43 0.00 -1.04 -4.86 120.51 116.25 2wd7 n ALA 249 Ca 0.22 -2.49 0.21 0.00 0.00 0.00 0.00 53.44 51.38 2wd7 n ALA 249 Cb 0.13 -0.43 1.08 0.00 0.00 0.00 0.00 19.45 20.22 2wd7 n ALA 249 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wd7 h GLN 250 N 0.38 0.00 -0.19 0.00 1.08 -1.71 -1.44 115.11 113.23 2wd7 h GLN 250 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2wd7 h GLN 250 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 2wd7 h GLN 250 CO 0.01 0.00 0.00 0.98 -0.95 0.00 0.00 178.83 178.87 2wd7 n TYR 251 N -3.04 0.24 -3.21 2.96 9.36 -1.26 -4.93 117.16 117.28 2wd7 n TYR 251 Ca -0.02 -0.16 -0.42 0.00 3.32 0.00 0.00 57.90 60.62 2wd7 n TYR 251 Cb 0.12 -0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.75 2wd7 n TYR 251 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2wd7 s ILE 252 N -1.30 4.98 -0.01 2.97 1.01 -0.55 -5.04 121.20 123.27 2wd7 s ILE 252 Ca 0.25 0.23 -0.08 0.00 0.00 0.00 0.00 60.65 61.06 2wd7 s ILE 252 Cb 0.16 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.60 2wd7 s ILE 252 CO 0.23 -0.32 0.17 0.28 0.00 0.00 0.00 174.94 175.29 2wd7 s THR 253 N 2.48 0.07 -0.73 2.92 -1.32 -1.26 -4.67 115.64 113.12 2wd7 s THR 253 Ca 0.19 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 2wd7 s THR 253 Cb -0.15 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.41 2wd7 s THR 253 CO 0.15 -0.30 0.00 0.61 -2.21 0.00 0.00 174.62 172.87 2wd7 n GLY 254 N 1.70 0.91 3.69 6.08 0.00 0.22 -4.96 105.19 112.84 2wd7 n GLY 254 Ca -0.21 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 2wd7 n GLY 254 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wd7 s SER 255 N -2.83 5.24 -0.18 1.61 0.15 -1.26 -4.86 113.70 111.58 2wd7 s SER 255 Ca 0.00 0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.76 2wd7 s SER 255 Cb 0.00 -1.45 0.02 0.00 -1.71 0.00 0.00 66.02 62.89 2wd7 s SER 255 CO 0.00 0.34 -0.19 -0.63 1.20 0.00 0.00 173.24 173.96 2wd7 s ILE 256 N -0.98 2.04 -0.34 6.45 1.01 -1.26 -0.58 121.20 127.54 2wd7 s ILE 256 Ca 0.16 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.67 2wd7 s ILE 256 Cb -0.11 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 2wd7 s ILE 256 CO 0.06 0.49 0.39 -0.63 0.00 0.00 0.00 174.94 175.24 2wd7 s ILE 257 N 1.29 5.14 0.14 2.92 1.01 0.15 -4.92 121.20 126.92 2wd7 s ILE 257 Ca 0.04 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.49 2wd7 s ILE 257 Cb -0.14 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.42 2wd7 s ILE 257 CO -0.12 -0.11 1.26 -0.54 0.00 0.00 0.00 174.94 175.43 2wd7 s LYS 258 N 2.08 4.42 -0.64 2.79 1.02 -1.26 -0.85 119.74 127.29 2wd7 s LYS 258 Ca 0.13 1.92 0.06 0.00 0.02 0.00 0.00 55.97 58.10 2wd7 s LYS 258 Cb -0.16 -3.26 0.22 0.00 -0.52 0.00 0.00 37.83 34.11 2wd7 s LYS 258 CO 0.12 -0.24 0.65 0.28 -0.92 0.00 0.00 175.35 175.23 2wd7 n VAL 259 N 3.26 1.87 -0.46 3.17 0.31 -0.28 -4.89 118.33 121.32 2wd7 n VAL 259 Ca 0.08 -5.00 0.00 0.00 -0.01 0.00 0.00 64.34 59.41 2wd7 n VAL 259 Cb 0.44 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 2wd7 n VAL 259 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2wd7 n ASP 260 N 1.27 1.02 -1.91 4.52 5.75 -1.26 -3.32 116.55 122.61 2wd7 n ASP 260 Ca 0.26 -1.47 -0.16 0.00 -0.01 0.00 0.00 54.79 53.41 2wd7 n ASP 260 Cb 0.40 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.45 2wd7 n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wd7 n GLY 261 N -0.24 0.60 1.35 6.12 0.00 -1.26 -1.41 105.19 110.35 2wd7 n GLY 261 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wd7 n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wd7 n GLY 262 N -0.58 0.83 0.23 -0.02 0.00 -1.26 -1.62 105.19 102.76 2wd7 n GLY 262 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.85 2wd7 n GLY 262 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wd7 h LEU 263 N 0.00 -0.18 0.00 0.99 5.85 -1.54 -1.08 115.31 119.34 2wd7 h LEU 263 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2wd7 h LEU 263 Cb 0.00 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2wd7 h LEU 263 CO 0.00 -0.08 0.00 -1.54 -0.34 0.00 0.00 178.44 176.48 2wd7 n SER 264 N -5.23 0.00 0.04 1.25 3.41 -1.26 -2.58 113.62 109.24 2wd7 n SER 264 Ca 0.09 0.16 0.12 0.00 -0.26 0.00 0.00 58.87 58.98 2wd7 n SER 264 Cb 0.34 -0.32 0.16 0.00 -0.26 0.00 0.00 64.21 64.13 2wd7 n SER 264 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wd7 n LEU 265 N -1.32 0.63 -4.64 1.04 4.77 -0.41 -4.89 117.00 112.18 2wd7 n LEU 265 Ca 0.06 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.73 2wd7 n LEU 265 Cb 0.12 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 2wd7 n LEU 265 CO 0.11 0.02 0.67 -0.69 -1.33 0.00 0.00 177.39 176.17 2wd7 s VAL 266 N -3.13 4.79 1.00 4.08 1.01 -1.07 -5.05 120.40 122.04 2wd7 s VAL 266 Ca 0.07 1.51 -0.12 0.00 0.00 0.00 0.00 61.98 63.44 2wd7 s VAL 266 Cb 0.15 -4.16 0.19 0.00 0.00 0.00 0.00 36.38 32.56 2wd7 s VAL 266 CO 0.73 -0.15 1.08 -1.38 0.00 0.00 0.00 175.10 175.38 2wd7 s HIS 267 N 2.95 1.89 -1.63 5.22 -3.43 -1.26 -5.09 115.29 113.93 2wd7 s HIS 267 Ca 0.35 1.24 0.00 0.00 -0.80 0.00 0.00 55.06 55.85 2wd7 s HIS 267 Cb -0.15 -3.18 0.00 0.00 -1.43 0.00 0.00 32.58 27.82 2wd7 s HIS 267 CO 0.09 -3.02 0.41 0.00 -2.00 0.00 0.00 174.74 170.22