#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 2.88 0.97 0.62 0.00 -1.26 -5.03 121.76 119.94 2wd7 s ALA 3 Ca 0.00 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 52.79 2wd7 s ALA 3 Cb 0.00 -3.40 0.17 0.00 0.00 0.00 0.00 23.12 19.90 2wd7 s ALA 3 CO 0.00 -0.76 1.10 -1.25 0.00 0.00 0.00 175.76 174.84 2wd7 s PRO 4 N -2.87 0.66 0.02 0.00 0.04 -1.26 -4.79 135.00 126.80 2wd7 s PRO 4 Ca 0.67 0.55 0.03 0.00 0.04 0.00 0.00 61.00 62.30 2wd7 s PRO 4 Cb -0.29 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 2wd7 s PRO 4 CO 0.34 -2.59 -0.11 0.00 0.04 0.00 0.00 177.00 174.69 2wd7 s ALA 5 N -2.99 0.88 -0.01 8.56 0.00 -1.26 -1.27 121.76 125.67 2wd7 s ALA 5 Ca 0.65 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.06 2wd7 s ALA 5 Cb -0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2wd7 s ALA 5 CO 0.57 0.17 -0.16 0.00 0.00 0.00 0.00 175.76 176.34 2wd7 s ALA 6 N -0.59 1.30 -0.23 0.00 0.00 0.68 -0.33 121.76 122.59 2wd7 s ALA 6 Ca 0.01 -0.68 -0.09 0.00 0.00 0.00 0.00 51.96 51.20 2wd7 s ALA 6 Cb -0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2wd7 s ALA 6 CO 0.00 0.32 0.12 0.08 0.00 0.00 0.00 175.76 176.28 2wd7 s VAL 7 N -0.38 4.99 -0.20 0.00 1.01 0.84 -0.67 120.40 125.99 2wd7 s VAL 7 Ca 0.06 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.10 2wd7 s VAL 7 Cb -0.06 -3.31 0.03 0.00 0.00 0.00 0.00 36.38 33.04 2wd7 s VAL 7 CO -0.01 0.37 -0.16 -0.69 0.00 0.00 0.00 175.10 174.61 2wd7 s VAL 8 N 1.01 1.99 0.28 2.92 1.01 -0.80 0.19 120.40 127.00 2wd7 s VAL 8 Ca 0.06 -1.07 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 2wd7 s VAL 8 Cb -0.14 -1.90 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 2wd7 s VAL 8 CO 0.04 0.37 0.86 0.42 0.00 0.00 0.00 175.10 176.78 2wd7 s THR 9 N 1.28 4.35 -1.35 3.92 -4.23 -0.86 -1.73 115.64 117.02 2wd7 s THR 9 Ca 0.01 1.62 -0.08 0.00 -1.18 0.00 0.00 61.69 62.06 2wd7 s THR 9 Cb -0.15 -3.95 0.01 0.00 1.34 0.00 0.00 72.50 69.76 2wd7 s THR 9 CO -0.10 0.17 1.13 0.61 -0.54 0.00 0.00 174.62 175.88 2wd7 n GLY 10 N 0.62 -0.51 0.60 3.99 0.00 -1.14 -2.58 105.19 106.17 2wd7 n GLY 10 Ca 0.00 0.23 0.09 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 -4.83 2.50 0.16 4.61 0.00 -0.22 -4.17 120.51 118.55 2wd7 n ALA 11 Ca -0.04 -0.56 0.04 0.00 0.00 0.00 0.00 53.44 52.87 2wd7 n ALA 11 Cb 0.58 -1.05 0.09 0.00 0.00 0.00 0.00 19.45 19.07 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 3.97 0.75 -2.49 0.00 0.00 -1.87 -2.97 119.26 116.65 2wd7 h ALA 12 Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.36 2wd7 h ALA 12 Cb 0.50 -0.07 -0.14 0.00 0.00 0.00 0.00 17.79 18.08 2wd7 h ALA 12 CO 0.00 0.54 -0.53 0.15 0.00 0.00 0.00 179.25 179.41 2wd7 s LYS 13 N -3.08 0.99 6.29 0.00 1.02 -1.26 -4.51 119.74 119.18 2wd7 s LYS 13 Ca 0.04 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.70 2wd7 s LYS 13 Cb 0.08 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.68 2wd7 s LYS 13 CO 0.73 -0.31 0.00 0.54 -0.92 0.00 0.00 175.35 175.39 2wd7 n ARG 14 N -0.12 0.00 -0.10 1.68 1.74 -1.26 -1.48 116.66 117.11 2wd7 n ARG 14 Ca -0.07 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.88 2wd7 n ARG 14 Cb 0.63 0.00 -0.04 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 1.30 -0.82 0.55 2.04 -1.91 -1.87 117.51 116.80 2wd7 h ILE 15 Ca 0.00 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.46 2wd7 h ILE 15 Cb 0.00 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.58 2wd7 h ILE 15 CO 0.00 0.46 0.54 1.23 0.00 0.00 0.00 178.15 180.37 2wd7 h GLY 16 N 0.46 1.18 0.97 5.37 0.00 -1.67 0.24 103.07 109.61 2wd7 h GLY 16 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2wd7 h GLY 16 CO 0.07 0.38 0.21 -0.09 0.00 0.00 0.00 176.54 177.11 2wd7 h ARG 17 N 1.07 0.72 -0.70 4.80 2.43 -1.04 -0.17 114.38 121.49 2wd7 h ARG 17 Ca 0.32 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 2wd7 h ARG 17 Cb -0.05 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 2wd7 h ARG 17 CO -0.09 0.63 0.23 0.00 -1.51 0.00 0.00 179.97 179.23 2wd7 h ALA 18 N 1.06 0.92 -0.08 2.80 0.00 -0.64 -0.27 119.26 123.05 2wd7 h ALA 18 Ca 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wd7 h ALA 18 Cb 0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2wd7 h ALA 18 CO -0.02 0.59 0.05 0.82 0.00 0.00 0.00 179.25 180.69 2wd7 h ILE 19 N 1.03 1.06 -0.52 0.00 2.04 -0.79 -1.46 117.51 118.86 2wd7 h ILE 19 Ca 0.23 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 65.99 2wd7 h ILE 19 Cb 0.29 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 2wd7 h ILE 19 CO -0.01 0.05 0.26 0.00 0.00 0.00 0.00 178.15 178.45 2wd7 h ALA 20 N 0.98 0.67 -0.29 1.87 0.00 -0.69 -0.94 119.26 120.86 2wd7 h ALA 20 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wd7 h ALA 20 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2wd7 h ALA 20 CO -0.01 -0.10 0.15 0.28 0.00 0.00 0.00 179.25 179.58 2wd7 h VAL 21 N 0.50 1.13 -0.58 0.00 2.07 -0.94 -1.32 116.25 117.11 2wd7 h VAL 21 Ca 0.23 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 2wd7 h VAL 21 Cb 0.16 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2wd7 h VAL 21 CO -0.17 0.13 0.14 0.50 0.02 0.00 0.00 177.57 178.19 2wd7 h LYS 22 N 0.34 0.93 -0.34 1.57 3.64 -1.07 0.11 116.57 121.75 2wd7 h LYS 22 Ca 0.10 -0.22 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2wd7 h LYS 22 Cb 0.08 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2wd7 h LYS 22 CO -0.02 0.86 0.14 -0.07 -2.27 0.00 0.00 179.45 178.10 2wd7 h LEU 23 N 0.83 0.19 -0.54 5.20 3.38 -1.09 -0.57 115.31 122.71 2wd7 h LEU 23 Ca 0.18 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2wd7 h LEU 23 Cb 0.35 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2wd7 h LEU 23 CO 0.00 0.14 0.34 -0.74 0.09 0.00 0.00 178.44 178.27 2wd7 h HIS 24 N 0.30 0.70 -0.37 1.13 2.76 -0.94 -1.27 115.15 117.46 2wd7 h HIS 24 Ca 0.15 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 2wd7 h HIS 24 Cb 0.09 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 2wd7 h HIS 24 CO -0.12 0.47 0.19 1.96 -1.30 0.00 0.00 177.93 179.13 2wd7 h GLN 25 N 0.73 0.51 0.00 5.26 4.20 -0.60 -0.76 115.11 124.44 2wd7 h GLN 25 Ca 0.20 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2wd7 h GLN 25 Cb -0.04 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.63 2wd7 h GLN 25 CO -0.04 0.39 0.00 1.15 -0.67 0.00 0.00 178.83 179.66 2wd7 h THR 26 N 0.52 0.00 0.00 -0.54 2.02 -0.47 -3.47 112.91 110.97 2wd7 h THR 26 Ca 0.13 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2wd7 h THR 26 Cb 0.04 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2wd7 h THR 26 CO -0.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.48 2wd7 n GLY 27 N 0.13 1.10 3.77 2.16 0.00 -0.29 -5.09 105.19 106.97 2wd7 n GLY 27 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 3.13 0.26 1.61 1.51 -0.54 -4.42 117.35 116.90 2wd7 s TYR 28 Ca 0.00 1.59 -0.20 0.00 -1.01 0.00 0.00 57.07 57.44 2wd7 s TYR 28 Cb 0.00 -3.31 -0.09 0.00 -0.11 0.00 0.00 41.96 38.46 2wd7 s TYR 28 CO 0.00 -1.10 0.78 1.03 -1.11 0.00 0.00 175.55 175.15 2wd7 s ARG 29 N -2.37 4.29 -0.01 -0.62 0.52 -0.39 -4.15 118.95 116.21 2wd7 s ARG 29 Ca 0.58 0.94 0.03 0.00 -0.52 0.00 0.00 55.73 56.76 2wd7 s ARG 29 Cb -0.28 -2.79 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 2wd7 s ARG 29 CO 0.35 0.33 -0.09 0.08 0.02 0.00 0.00 175.30 175.98 2wd7 s VAL 30 N -1.62 0.73 -0.33 3.52 1.01 -0.43 -0.23 120.40 123.04 2wd7 s VAL 30 Ca 0.46 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 2wd7 s VAL 30 Cb -0.16 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.59 2wd7 s VAL 30 CO 0.21 0.21 0.27 -0.69 0.00 0.00 0.00 175.10 175.10 2wd7 s VAL 31 N -0.20 5.25 -0.74 2.92 1.01 0.15 -1.84 120.40 126.95 2wd7 s VAL 31 Ca 0.03 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 2wd7 s VAL 31 Cb -0.04 -3.73 0.08 0.00 0.00 0.00 0.00 36.38 32.69 2wd7 s VAL 31 CO -0.00 -0.01 1.05 -0.63 0.00 0.00 0.00 175.10 175.51 2wd7 s ILE 32 N 1.81 4.33 0.42 2.22 1.01 0.27 -1.91 121.20 129.35 2wd7 s ILE 32 Ca 0.08 -0.58 -0.22 0.00 0.00 0.00 0.00 60.65 59.93 2wd7 s ILE 32 Cb -0.17 -4.75 -0.10 0.00 0.01 0.00 0.00 42.46 37.45 2wd7 s ILE 32 CO 0.11 -1.53 0.96 -2.28 0.00 0.00 0.00 174.94 172.20 2wd7 s HIS 33 N 3.98 3.34 0.08 3.97 5.65 -0.71 -4.37 115.29 127.24 2wd7 s HIS 33 Ca 0.27 1.64 -0.15 0.00 0.25 0.00 0.00 55.06 57.06 2wd7 s HIS 33 Cb -0.13 -2.90 0.03 0.00 -1.18 0.00 0.00 32.58 28.40 2wd7 s HIS 33 CO 0.05 -0.16 0.36 1.52 -0.65 0.00 0.00 174.74 175.87 2wd7 s TYR 34 N -2.03 -0.16 0.00 3.88 -0.85 -1.26 -1.05 117.35 115.87 2wd7 s TYR 34 Ca 0.60 -0.06 0.00 0.00 -0.52 0.00 0.00 57.07 57.09 2wd7 s TYR 34 Cb -0.12 0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.40 2wd7 s TYR 34 CO 0.16 -0.61 0.00 1.58 -1.52 0.00 0.00 175.55 175.16 2wd7 n HIS 35 N 0.13 0.00 0.40 -3.49 -0.00 -1.26 -1.53 115.22 109.47 2wd7 n HIS 35 Ca -0.17 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.66 2wd7 n HIS 35 Cb 0.62 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.51 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 -2.34 0.46 -3.52 0.26 3.02 -1.26 -4.74 115.26 107.14 2wd7 n ASN 36 Ca 0.00 -0.29 -0.40 0.00 -0.03 0.00 0.00 54.58 53.86 2wd7 n ASN 36 Cb 0.00 1.34 0.01 0.00 -0.61 0.00 0.00 39.78 40.52 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 -2.02 7.74 -0.16 6.41 7.64 -1.26 -4.72 113.62 127.25 2wd7 n SER 37 Ca -0.00 -3.38 -0.08 0.00 1.01 0.00 0.00 58.87 56.41 2wd7 n SER 37 Cb 0.47 -1.28 0.01 0.00 -1.01 0.00 0.00 64.21 62.40 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 4.39 0.61 -0.28 -0.43 0.00 -1.96 -1.89 119.26 119.70 2wd7 h ALA 38 Ca 0.63 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 2wd7 h ALA 38 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2wd7 h ALA 38 CO 1.34 0.20 0.06 1.49 0.00 0.00 0.00 179.25 182.34 2wd7 h GLU 39 N 0.62 0.46 -0.70 0.00 4.81 -2.00 -1.91 114.58 115.85 2wd7 h GLU 39 Ca 0.16 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2wd7 h GLU 39 Cb 0.16 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2wd7 h GLU 39 CO -0.02 0.56 0.29 0.00 -0.73 0.00 0.00 179.01 179.11 2wd7 h ALA 40 N 0.88 0.91 -0.27 2.92 0.00 -1.88 -0.70 119.26 121.13 2wd7 h ALA 40 Ca 0.09 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2wd7 h ALA 40 Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2wd7 h ALA 40 CO 0.00 0.53 0.09 0.00 0.00 0.00 0.00 179.25 179.87 2wd7 h ALA 41 N 1.13 0.35 -0.43 0.00 0.00 -1.17 -0.41 119.26 118.75 2wd7 h ALA 41 Ca 0.23 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2wd7 h ALA 41 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2wd7 h ALA 41 CO -0.02 -0.03 -0.07 0.28 0.00 0.00 0.00 179.25 179.41 2wd7 h VAL 42 N 0.28 1.27 -0.61 0.00 2.07 -1.32 -0.56 116.25 117.38 2wd7 h VAL 42 Ca 0.09 -1.16 0.11 0.00 0.82 0.00 0.00 66.70 66.56 2wd7 h VAL 42 Cb 0.22 1.15 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 2wd7 h VAL 42 CO -0.00 0.39 0.16 -1.28 0.02 0.00 0.00 177.57 176.86 2wd7 h SER 43 N 0.63 0.08 -0.13 0.57 0.87 -0.95 0.24 113.55 114.85 2wd7 h SER 43 Ca 0.11 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 2wd7 h SER 43 Cb 0.59 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2wd7 h SER 43 CO 0.04 0.05 0.08 0.25 -0.53 0.00 0.00 176.83 176.71 2wd7 h LEU 44 N 0.31 0.16 -0.85 2.23 5.85 -0.83 -2.38 115.31 119.81 2wd7 h LEU 44 Ca 0.32 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.06 2wd7 h LEU 44 Cb 0.46 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.38 2wd7 h LEU 44 CO -0.38 0.18 0.50 0.00 -0.34 0.00 0.00 178.44 178.40 2wd7 h ALA 45 N 0.99 1.20 -0.45 1.25 0.00 -0.41 -1.59 119.26 120.24 2wd7 h ALA 45 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wd7 h ALA 45 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2wd7 h ALA 45 CO -0.01 0.16 0.24 -0.44 0.00 0.00 0.00 179.25 179.20 2wd7 h ASP 46 N 0.86 0.58 -0.37 0.00 3.32 -0.37 0.79 116.42 121.23 2wd7 h ASP 46 Ca 0.40 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 2wd7 h ASP 46 Cb 0.31 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2wd7 h ASP 46 CO -0.22 0.52 0.17 -0.08 -1.72 0.00 0.00 179.24 177.91 2wd7 h GLU 47 N 0.59 0.54 -0.31 3.56 4.81 -0.92 -1.35 114.58 121.50 2wd7 h GLU 47 Ca 0.16 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2wd7 h GLU 47 Cb 0.08 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2wd7 h GLU 47 CO -0.02 0.49 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.63 2wd7 h LEU 48 N 0.46 0.58 -1.79 1.64 3.38 -1.13 -2.86 115.31 115.59 2wd7 h LEU 48 Ca 0.13 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 2wd7 h LEU 48 Cb 0.13 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2wd7 h LEU 48 CO -0.01 0.78 -0.15 0.78 0.09 0.00 0.00 178.44 179.93 2wd7 h ASN 49 N 0.36 0.00 -0.26 -0.43 2.35 -0.81 -1.03 115.58 115.77 2wd7 h ASN 49 Ca 0.08 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 2wd7 h ASN 49 Cb 0.51 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 2wd7 h ASN 49 CO 0.02 0.15 -0.20 0.50 -1.65 0.00 0.00 177.43 176.25 2wd7 h LYS 50 N 0.00 0.71 0.32 0.81 1.63 -1.20 -2.42 116.57 116.43 2wd7 h LYS 50 Ca -0.00 -0.27 -0.02 0.00 -0.85 0.00 0.00 60.65 59.51 2wd7 h LYS 50 Cb 0.38 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 2wd7 h LYS 50 CO 0.02 0.86 -0.15 1.49 -3.45 0.00 0.00 179.45 178.22 2wd7 h GLU 51 N 0.63 -0.41 -3.23 1.90 4.57 -1.14 -3.44 114.58 113.47 2wd7 h GLU 51 Ca 0.09 0.03 -0.35 0.00 -1.18 0.00 0.00 59.36 57.95 2wd7 h GLU 51 Cb 0.69 0.09 -0.38 0.00 -0.16 0.00 0.00 28.75 28.99 2wd7 h GLU 51 CO 0.05 -0.09 -0.71 1.03 -1.18 0.00 0.00 179.01 178.11 2wd7 s ARG 52 N -4.69 -0.04 0.33 1.92 0.52 -0.46 -5.12 118.95 111.41 2wd7 s ARG 52 Ca -0.14 0.43 -0.28 0.00 -0.52 0.00 0.00 55.73 55.21 2wd7 s ARG 52 Cb 0.02 -0.47 -0.12 0.00 0.52 0.00 0.00 34.95 34.90 2wd7 s ARG 52 CO 0.54 -0.33 1.28 0.43 0.02 0.00 0.00 175.30 177.24 2wd7 n SER 53 N 5.31 2.67 -3.56 0.23 7.64 -0.91 -3.22 113.62 121.78 2wd7 n SER 53 Ca -0.04 1.20 -0.25 0.00 1.01 0.00 0.00 58.87 60.79 2wd7 n SER 53 Cb 0.50 -1.47 0.05 0.00 -1.01 0.00 0.00 64.21 62.28 2wd7 n SER 53 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2wd7 n ASN 54 N 0.93 -5.70 -0.35 6.43 4.13 -1.26 -4.90 115.26 114.53 2wd7 n ASN 54 Ca 0.06 -0.55 0.04 0.00 1.68 0.00 0.00 54.58 55.81 2wd7 n ASN 54 Cb 0.35 -4.54 0.04 0.00 -1.54 0.00 0.00 39.78 34.10 2wd7 n ASN 54 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2wd7 n THR 55 N -4.74 0.13 -3.72 3.41 -2.24 -1.20 -5.00 114.28 100.92 2wd7 n THR 55 Ca -0.01 -0.56 -0.14 0.00 -2.27 0.00 0.00 64.05 61.06 2wd7 n THR 55 Cb 0.56 1.09 -0.15 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.73 -0.24 0.17 6.98 0.00 -1.26 -1.32 121.76 125.35 2wd7 s ALA 56 Ca 0.11 0.65 0.06 0.00 0.00 0.00 0.00 51.96 52.78 2wd7 s ALA 56 Cb 0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2wd7 s ALA 56 CO 0.11 -0.28 -0.13 0.14 0.00 0.00 0.00 175.76 175.60 2wd7 s VAL 57 N 1.52 1.45 0.00 0.00 -7.23 -0.77 -4.89 120.40 110.48 2wd7 s VAL 57 Ca -0.06 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 2wd7 s VAL 57 Cb -0.12 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 34.95 2wd7 s VAL 57 CO -0.06 -0.61 0.00 1.33 -0.31 0.00 0.00 175.10 175.45 2wd7 n VAL 58 N -0.12 0.00 -3.78 1.32 0.24 -1.26 -0.56 118.33 114.16 2wd7 n VAL 58 Ca -0.10 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.07 2wd7 n VAL 58 Cb 0.60 -0.76 -0.13 0.00 -1.47 0.00 0.00 33.84 32.07 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 0.60 0.18 -0.27 7.34 -0.44 -1.26 -4.87 119.66 120.94 2wd7 s GLN 60 Ca 0.00 0.32 -0.25 0.00 -2.50 0.00 0.00 55.36 52.93 2wd7 s GLN 60 Cb 0.00 -0.01 0.09 0.00 -1.64 0.00 0.00 33.01 31.46 2wd7 s GLN 60 CO 0.00 -0.08 0.87 0.00 0.50 0.00 0.00 175.29 176.57 2wd7 s ALA 61 N 0.56 -1.87 0.08 1.58 0.00 -0.58 -4.95 121.76 116.58 2wd7 s ALA 61 Ca -0.04 1.93 -0.30 0.00 0.00 0.00 0.00 51.96 53.55 2wd7 s ALA 61 Cb -0.05 -1.25 -0.05 0.00 0.00 0.00 0.00 23.12 21.76 2wd7 s ALA 61 CO -0.03 -0.29 1.00 0.34 0.00 0.00 0.00 175.76 176.78 2wd7 s ASP 62 N 0.23 7.40 -0.06 0.00 -1.08 -1.26 -4.29 116.67 117.61 2wd7 s ASP 62 Ca 0.01 1.80 0.15 0.00 -0.52 0.00 0.00 52.55 53.99 2wd7 s ASP 62 Cb -0.05 -2.58 0.48 0.00 -1.46 0.00 0.00 42.92 39.30 2wd7 s ASP 62 CO -0.02 -0.18 1.40 0.18 0.52 0.00 0.00 175.17 177.07 2wd7 n LEU 63 N 3.19 3.62 -4.78 -1.34 4.77 -1.26 -4.94 117.00 116.26 2wd7 n LEU 63 Ca 0.04 -2.30 -0.41 0.00 -0.03 0.00 0.00 56.01 53.31 2wd7 n LEU 63 Cb 0.49 -0.40 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2wd7 n LEU 63 CO 0.52 0.76 1.14 -0.89 -1.33 0.00 0.00 177.39 177.59 2wd7 s THR 64 N -1.55 2.09 0.28 -5.08 2.01 -1.26 -3.03 115.64 109.10 2wd7 s THR 64 Ca 0.36 0.09 -0.30 0.00 0.31 0.00 0.00 61.69 62.15 2wd7 s THR 64 Cb 0.22 -3.06 -0.11 0.00 0.01 0.00 0.00 72.50 69.56 2wd7 s THR 64 CO 0.18 0.02 1.61 0.21 -0.69 0.00 0.00 174.62 175.95 2wd7 s ASN 65 N -0.11 6.38 0.17 3.53 2.47 -0.40 -4.69 114.94 122.29 2wd7 s ASN 65 Ca 0.53 2.93 -0.24 0.00 0.42 0.00 0.00 52.86 56.50 2wd7 s ASN 65 Cb -0.46 -2.63 0.07 0.00 -1.45 0.00 0.00 41.25 36.78 2wd7 s ASN 65 CO 0.61 -0.92 0.99 -0.94 -3.72 0.00 0.00 177.10 173.13 2wd7 s SER 66 N 0.61 -0.10 0.48 -4.21 1.04 -1.26 -4.85 113.70 105.40 2wd7 s SER 66 Ca 0.65 -0.52 0.17 0.00 0.48 0.00 0.00 55.95 56.73 2wd7 s SER 66 Cb -0.48 0.50 1.18 0.00 0.10 0.00 0.00 66.02 67.32 2wd7 s SER 66 CO 0.45 -0.95 2.04 -0.55 0.98 0.00 0.00 173.24 175.21 2wd7 h ASN 67 N 2.00 0.18 0.46 7.02 -1.07 -2.06 -2.84 115.58 119.27 2wd7 h ASN 67 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.11 2wd7 h ASN 67 Cb 1.23 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 37.44 2wd7 h ASN 67 CO 0.30 0.11 -0.54 1.33 0.07 0.00 0.00 177.43 178.69 2wd7 n VAL 68 N -4.46 0.00 -0.20 6.14 0.24 -1.26 -4.47 118.33 114.32 2wd7 n VAL 68 Ca 0.06 -0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.36 2wd7 n VAL 68 Cb 0.33 0.31 0.11 0.00 -1.47 0.00 0.00 33.84 33.13 2wd7 n VAL 68 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2wd7 h LEU 69 N 0.00 0.09 -0.42 1.34 5.85 -1.78 -1.06 115.31 119.33 2wd7 h LEU 69 Ca 0.00 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2wd7 h LEU 69 Cb 0.50 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.59 2wd7 h LEU 69 CO 0.00 0.05 0.07 -0.65 -0.34 0.00 0.00 178.44 177.57 2wd7 h PRO 70 N 0.32 0.19 -0.89 5.25 0.11 -1.79 -0.46 132.00 134.73 2wd7 h PRO 70 Ca 0.32 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.40 2wd7 h PRO 70 Cb 0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.48 2wd7 h PRO 70 CO -0.37 0.12 0.49 0.00 -0.21 0.00 0.00 178.00 178.03 2wd7 h ALA 71 N 1.33 1.19 -0.72 -0.75 0.00 -1.73 -0.72 119.26 117.85 2wd7 h ALA 71 Ca 0.21 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2wd7 h ALA 71 Cb 0.26 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2wd7 h ALA 71 CO -0.28 0.66 0.45 0.77 0.00 0.00 0.00 179.25 180.84 2wd7 h SER 72 N 1.25 0.72 -0.22 0.00 0.02 -0.46 -1.56 113.55 113.30 2wd7 h SER 72 Ca 0.31 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.10 2wd7 h SER 72 Cb 0.02 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 2wd7 h SER 72 CO -0.05 0.49 -0.48 0.00 -1.14 0.00 0.00 176.83 175.65 2wd7 h GLU 74 N 0.63 1.02 -0.48 0.00 4.81 -0.99 -2.35 114.58 117.22 2wd7 h GLU 74 Ca 0.03 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 2wd7 h GLU 74 Cb 1.06 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 2wd7 h GLU 74 CO 0.10 0.69 -0.19 0.93 -0.73 0.00 0.00 179.01 179.81 2wd7 h GLU 75 N 1.05 0.98 -0.18 1.92 4.39 -0.92 0.00 114.58 121.82 2wd7 h GLU 75 Ca 0.28 -0.41 0.02 0.00 0.34 0.00 0.00 59.36 59.59 2wd7 h GLU 75 Cb -0.10 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2wd7 h GLU 75 CO -0.06 1.09 0.05 0.82 -1.16 0.00 0.00 179.01 179.74 2wd7 h ILE 76 N 0.83 0.94 -0.53 3.13 2.04 -0.89 0.21 117.51 123.24 2wd7 h ILE 76 Ca 0.11 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 2wd7 h ILE 76 Cb 0.77 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 2wd7 h ILE 76 CO 0.06 0.02 0.32 0.40 0.00 0.00 0.00 178.15 178.95 2wd7 h ILE 77 N 0.13 1.16 -0.60 -0.67 1.08 -1.36 -2.71 117.51 114.54 2wd7 h ILE 77 Ca 0.08 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 2wd7 h ILE 77 Cb 0.06 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 2wd7 h ILE 77 CO -0.09 0.16 0.37 -1.13 -0.69 0.00 0.00 178.15 176.77 2wd7 h ASN 78 N 0.71 0.70 0.13 1.72 -1.24 -0.46 -2.15 115.58 114.98 2wd7 h ASN 78 Ca 0.19 -0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.13 2wd7 h ASN 78 Cb -0.02 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 38.85 2wd7 h ASN 78 CO -0.04 0.53 -0.15 0.77 -1.29 0.00 0.00 177.43 177.25 2wd7 h SER 79 N 0.82 0.05 0.07 1.15 4.64 -0.27 0.19 113.55 120.21 2wd7 h SER 79 Ca 0.22 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2wd7 h SER 79 Cb -0.05 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2wd7 h SER 79 CO -0.04 0.21 -0.03 0.00 -0.87 0.00 0.00 176.83 176.09 2wd7 h PHE 81 N -0.57 0.99 -0.26 0.00 -1.00 -1.33 0.12 116.94 114.90 2wd7 h PHE 81 Ca -0.01 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 2wd7 h PHE 81 Cb 0.49 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 2wd7 h PHE 81 CO 0.08 0.44 0.08 -0.09 -1.61 0.00 0.00 178.31 177.21 2wd7 h ARG 82 N 0.92 0.39 -0.07 1.51 2.43 -0.61 0.22 114.38 119.18 2wd7 h ARG 82 Ca 0.42 -0.08 -0.23 0.00 -0.81 0.00 0.00 59.98 59.28 2wd7 h ARG 82 Cb 0.32 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2wd7 h ARG 82 CO -0.23 0.46 -0.84 0.00 -1.51 0.00 0.00 179.97 177.85 2wd7 h ALA 83 N 0.92 0.20 0.00 2.80 0.00 -0.94 -3.40 119.26 118.84 2wd7 h ALA 83 Ca 0.08 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2wd7 h ALA 83 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wd7 h ALA 83 CO -0.00 0.62 0.00 1.19 0.00 0.00 0.00 179.25 181.06 2wd7 n PHE 84 N -3.96 0.00 -0.99 0.00 0.99 0.42 -5.02 117.46 108.88 2wd7 n PHE 84 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.36 2wd7 n PHE 84 Cb 0.78 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.26 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 0.71 0.62 3.54 1.37 0.00 0.77 -4.96 105.19 107.23 2wd7 n GLY 85 Ca 0.00 0.00 -0.08 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 -0.07 0.86 -0.21 1.61 1.70 -1.26 -4.95 118.95 116.64 2wd7 s ARG 86 Ca 0.00 -0.34 -0.04 0.00 -0.47 0.00 0.00 55.73 54.88 2wd7 s ARG 86 Cb 0.00 0.38 0.09 0.00 -0.57 0.00 0.00 34.95 34.85 2wd7 s ARG 86 CO 0.00 -0.38 0.19 0.00 -1.08 0.00 0.00 175.30 174.03 2wd7 n ASP 88 N 5.30 0.26 -3.86 0.00 9.92 0.55 -4.97 116.55 123.75 2wd7 n ASP 88 Ca -0.06 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.06 2wd7 n ASP 88 Cb 0.49 1.06 -0.15 0.00 -0.64 0.00 0.00 41.12 41.88 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 -2.55 0.08 -0.15 2.53 1.01 -0.92 -2.29 120.40 118.10 2wd7 s VAL 89 Ca -0.09 0.02 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2wd7 s VAL 89 Cb 0.06 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.35 2wd7 s VAL 89 CO 0.79 0.06 -0.16 -0.22 0.00 0.00 0.00 175.10 175.57 2wd7 s LEU 90 N 0.32 1.83 -0.30 3.92 2.96 -1.01 -0.11 118.68 126.29 2wd7 s LEU 90 Ca -0.03 -0.53 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 2wd7 s LEU 90 Cb -0.05 -1.27 0.04 0.00 0.50 0.00 0.00 46.19 45.41 2wd7 s LEU 90 CO -0.01 -0.03 0.03 -0.69 -1.32 0.00 0.00 176.35 174.34 2wd7 s VAL 91 N 1.35 3.36 -0.91 1.68 1.01 0.13 -0.97 120.40 126.05 2wd7 s VAL 91 Ca 0.03 -1.13 -0.21 0.00 0.00 0.00 0.00 61.98 60.68 2wd7 s VAL 91 Cb -0.13 -2.85 0.10 0.00 0.00 0.00 0.00 36.38 33.50 2wd7 s VAL 91 CO -0.10 -0.04 1.18 0.20 0.00 0.00 0.00 175.10 176.34 2wd7 s ASN 92 N 1.35 6.52 -0.14 3.32 0.01 0.02 -2.02 114.94 124.00 2wd7 s ASN 92 Ca -0.02 -1.70 0.01 0.00 -0.71 0.00 0.00 52.86 50.44 2wd7 s ASN 92 Cb -0.19 -2.45 -0.09 0.00 0.41 0.00 0.00 41.25 38.94 2wd7 s ASN 92 CO 0.00 -1.25 -0.12 -3.20 -1.51 0.00 0.00 177.10 171.02 2wd7 n ASN 93 N 7.36 2.94 -4.62 -1.22 5.15 -1.25 -0.68 115.26 122.93 2wd7 n ASN 93 Ca 0.21 -0.07 -0.45 0.00 -0.60 0.00 0.00 54.58 53.67 2wd7 n ASN 93 Cb 0.49 -0.21 -0.02 0.00 -0.53 0.00 0.00 39.78 39.51 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 -2.90 0.10 -3.63 5.20 0.00 -1.06 -4.90 120.51 113.32 2wd7 n ALA 94 Ca -0.24 0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.56 2wd7 n ALA 94 Cb 0.76 -2.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.05 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 -0.33 -0.78 0.20 0.00 0.15 -1.26 -4.52 113.70 107.16 2wd7 s SER 95 Ca 0.61 1.22 -0.23 0.00 0.70 0.00 0.00 55.95 58.25 2wd7 s SER 95 Cb -0.70 1.42 -0.08 0.00 -1.71 0.00 0.00 66.02 64.95 2wd7 s SER 95 CO 0.58 -0.19 0.77 0.00 1.20 0.00 0.00 173.24 175.60 2wd7 s ALA 96 N 1.69 3.42 -0.25 5.45 0.00 -1.26 -5.05 121.76 125.76 2wd7 s ALA 96 Ca -0.09 0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 2wd7 s ALA 96 Cb -0.05 -2.93 0.13 0.00 0.00 0.00 0.00 23.12 20.27 2wd7 s ALA 96 CO -0.18 0.29 0.35 0.12 0.00 0.00 0.00 175.76 176.34 2wd7 s PHE 97 N -1.32 -0.73 0.00 0.00 2.19 -1.26 -4.85 117.98 112.01 2wd7 s PHE 97 Ca 0.39 0.52 -0.28 0.00 0.33 0.00 0.00 56.93 57.89 2wd7 s PHE 97 Cb -0.20 -0.13 0.10 0.00 -1.31 0.00 0.00 43.02 41.47 2wd7 s PHE 97 CO 0.24 -0.77 0.85 1.52 1.83 0.00 0.00 175.22 178.89 2wd7 s TYR 98 N 2.49 -0.39 0.49 10.12 -0.85 -1.26 -5.16 117.35 122.78 2wd7 s TYR 98 Ca 0.11 0.30 -0.22 0.00 -0.52 0.00 0.00 57.07 56.74 2wd7 s TYR 98 Cb -0.15 0.53 -0.07 0.00 0.38 0.00 0.00 41.96 42.65 2wd7 s TYR 98 CO -0.20 -0.57 1.13 -1.25 -1.52 0.00 0.00 175.55 173.14 2wd7 s PRO 99 N -2.95 3.65 -0.47 -3.49 0.04 -1.26 -4.73 135.00 125.79 2wd7 s PRO 99 Ca 0.03 1.66 0.04 0.00 0.04 0.00 0.00 61.00 62.77 2wd7 s PRO 99 Cb -0.01 -2.25 0.17 0.00 0.04 0.00 0.00 34.50 32.45 2wd7 s PRO 99 CO -0.08 -0.61 0.37 0.95 0.04 0.00 0.00 177.00 177.66 2wd7 s THR 100 N -1.67 0.83 0.34 1.26 -4.23 0.19 -4.97 115.64 107.37 2wd7 s THR 100 Ca 0.67 -2.95 -0.28 0.00 -1.18 0.00 0.00 61.69 57.95 2wd7 s THR 100 Cb -0.25 -1.57 -0.12 0.00 1.34 0.00 0.00 72.50 71.90 2wd7 s THR 100 CO 0.30 -1.19 1.31 -2.65 -0.54 0.00 0.00 174.62 171.86 2wd7 n PRO 101 N 2.70 2.16 0.09 3.99 -0.02 -1.20 -4.33 135.00 138.39 2wd7 n PRO 101 Ca 0.28 0.76 -0.05 0.00 -2.02 0.00 0.00 63.50 62.47 2wd7 n PRO 101 Cb 0.45 -2.36 0.11 0.00 -0.02 0.00 0.00 33.50 31.68 2wd7 n PRO 101 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wd7 h LEU 102 N 2.73 0.22 -4.47 2.45 3.38 -2.00 -3.51 115.31 114.11 2wd7 h LEU 102 Ca -0.46 -0.14 -0.57 0.00 0.09 0.00 0.00 57.88 56.80 2wd7 h LEU 102 Cb 1.28 -0.07 -0.42 0.00 0.09 0.00 0.00 40.66 41.54 2wd7 h LEU 102 CO 0.64 0.81 -0.78 0.52 0.09 0.00 0.00 178.44 179.72 2wd7 n VAL 103 N -3.82 2.28 -4.35 1.22 0.31 -1.26 -5.26 118.33 107.44 2wd7 n VAL 103 Ca -0.02 -4.71 0.00 0.00 -0.01 0.00 0.00 64.34 59.60 2wd7 n VAL 103 Cb 0.65 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 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 -0.48 -0.31 3.70 2.92 0.00 -1.26 -5.20 105.19 104.57 2wd7 n GLY 113 Ca 0.37 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 2wd7 n GLY 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wd7 n LYS 114 N 0.00 2.22 -1.22 1.61 5.02 -1.26 -5.01 118.16 119.52 2wd7 n LYS 114 Ca 0.00 0.78 -0.32 0.00 -2.02 0.00 0.00 58.31 56.75 2wd7 n LYS 114 Cb 0.00 -2.41 0.10 0.00 -0.02 0.00 0.00 35.03 32.70 2wd7 n LYS 114 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wd7 s THR 115 N -0.80 2.87 0.38 -0.18 -4.23 -1.26 -4.87 115.64 107.55 2wd7 s THR 115 Ca 0.58 0.32 0.07 0.00 -1.18 0.00 0.00 61.69 61.48 2wd7 s THR 115 Cb -0.57 -2.70 0.21 0.00 1.34 0.00 0.00 72.50 70.78 2wd7 s THR 115 CO 0.59 -0.33 1.98 1.62 -0.54 0.00 0.00 174.62 177.93 2wd7 h VAL 116 N -1.03 1.14 -0.14 2.29 3.04 -1.99 -2.07 116.25 117.49 2wd7 h VAL 116 Ca -0.44 -0.48 -0.11 0.00 -1.01 0.00 0.00 66.70 64.66 2wd7 h VAL 116 Cb 1.25 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 2wd7 h VAL 116 CO 0.49 0.18 -0.39 1.05 -1.01 0.00 0.00 177.57 177.89 2wd7 h GLU 117 N 0.48 0.32 -0.57 4.17 9.09 -1.99 -0.39 114.58 125.68 2wd7 h GLU 117 Ca 0.12 -0.15 -0.05 0.00 0.05 0.00 0.00 59.36 59.33 2wd7 h GLU 117 Cb 0.14 -0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.21 2wd7 h GLU 117 CO -0.01 0.66 0.17 1.15 0.05 0.00 0.00 179.01 181.03 2wd7 h THR 118 N 0.27 1.24 -0.44 -1.06 2.02 -1.82 -0.96 112.91 112.16 2wd7 h THR 118 Ca 0.03 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 2wd7 h THR 118 Cb 0.81 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2wd7 h THR 118 CO 0.06 0.31 0.14 1.56 0.37 0.00 0.00 175.52 177.97 2wd7 h GLN 119 N 0.81 0.68 -0.24 6.66 4.20 -0.79 0.10 115.11 126.53 2wd7 h GLN 119 Ca 0.18 -0.14 0.06 0.00 0.06 0.00 0.00 58.65 58.81 2wd7 h GLN 119 Cb 0.30 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 2wd7 h GLN 119 CO -0.00 0.66 -0.15 0.28 -0.67 0.00 0.00 178.83 178.94 2wd7 h VAL 120 N 0.58 0.56 -0.57 -0.54 2.07 -1.04 0.15 116.25 117.46 2wd7 h VAL 120 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 2wd7 h VAL 120 Cb 0.26 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2wd7 h VAL 120 CO -0.01 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.92 2wd7 h ALA 121 N 1.02 0.72 0.21 1.67 0.00 -0.58 -0.23 119.26 122.07 2wd7 h ALA 121 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wd7 h ALA 121 Cb 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wd7 h ALA 121 CO -0.32 0.22 -0.10 0.93 0.00 0.00 0.00 179.25 179.98 2wd7 h GLU 122 N 0.76 -0.27 -0.09 0.00 5.08 -0.69 -0.39 114.58 118.99 2wd7 h GLU 122 Ca 0.20 0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 2wd7 h GLU 122 Cb 0.00 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.32 2wd7 h GLU 122 CO -0.04 0.10 -0.45 -0.07 -1.00 0.00 0.00 179.01 177.56 2wd7 h LEU 123 N -0.72 0.54 0.10 1.33 3.38 -0.67 -1.21 115.31 118.06 2wd7 h LEU 123 Ca -0.03 -0.65 -0.29 0.00 0.09 0.00 0.00 57.88 57.00 2wd7 h LEU 123 Cb 0.49 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.11 2wd7 h LEU 123 CO 0.05 1.11 -1.23 0.40 0.09 0.00 0.00 178.44 178.85 2wd7 h ILE 124 N 0.02 1.33 0.35 1.22 1.08 -1.19 -2.96 117.51 117.36 2wd7 h ILE 124 Ca -0.03 -2.56 -0.00 0.00 -0.39 0.00 0.00 64.86 61.87 2wd7 h ILE 124 Cb 1.10 2.72 -0.02 0.00 -3.07 0.00 0.00 36.82 37.55 2wd7 h ILE 124 CO 0.09 0.77 -0.33 1.23 -0.69 0.00 0.00 178.15 179.22 2wd7 h GLY 125 N 0.58 -0.78 0.86 5.37 0.00 -1.12 -1.50 103.07 106.47 2wd7 h GLY 125 Ca -0.17 0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.49 2wd7 h GLY 125 CO 0.23 -0.29 -0.02 -0.91 0.00 0.00 0.00 176.54 175.55 2wd7 h THR 126 N -0.70 1.27 0.00 4.70 1.35 -1.13 0.22 112.91 118.61 2wd7 h THR 126 Ca -0.02 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 2wd7 h THR 126 Cb 0.63 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 2wd7 h THR 126 CO -0.05 0.31 0.00 0.78 -0.25 0.00 0.00 175.52 176.31 2wd7 h ASN 127 N 0.24 0.00 0.00 5.36 2.35 -1.58 -3.39 115.58 118.56 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 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2wd7 h ASN 127 CO 0.02 0.00 -0.11 0.00 -1.65 0.00 0.00 177.43 175.69 2wd7 n ALA 128 N -2.03 3.00 -0.04 -0.83 0.00 -0.64 -4.41 120.51 115.55 2wd7 n ALA 128 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.35 2wd7 n ALA 128 Cb 0.50 0.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 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 1.37 0.12 0.00 1.08 -1.13 -1.07 117.51 117.88 2wd7 h ILE 129 Ca 0.00 -1.28 -0.01 0.00 -0.39 0.00 0.00 64.86 63.18 2wd7 h ILE 129 Cb 0.11 2.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.89 2wd7 h ILE 129 CO 0.00 0.36 -0.06 0.00 -0.69 0.00 0.00 178.15 177.76 2wd7 h ALA 130 N 0.56 -0.16 -0.93 1.87 0.00 -0.82 0.41 119.26 120.18 2wd7 h ALA 130 Ca 0.01 -0.04 0.23 0.00 0.00 0.00 0.00 54.91 55.12 2wd7 h ALA 130 Cb 0.63 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.35 2wd7 h ALA 130 CO 0.02 -0.59 0.46 -1.35 0.00 0.00 0.00 179.25 177.79 2wd7 h PRO 131 N -0.17 0.43 -0.07 0.00 0.11 -1.76 0.19 132.00 130.73 2wd7 h PRO 131 Ca -0.02 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 2wd7 h PRO 131 Cb 0.13 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 2wd7 h PRO 131 CO 0.03 0.28 0.02 0.35 -0.21 0.00 0.00 178.00 178.47 2wd7 h PHE 132 N 0.44 0.11 -0.67 0.65 3.57 -0.33 -1.44 116.94 119.28 2wd7 h PHE 132 Ca 0.59 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 62.02 2wd7 h PHE 132 Cb 1.14 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 2wd7 h PHE 132 CO -0.10 0.26 0.18 -0.07 -2.23 0.00 0.00 178.31 176.36 2wd7 h LEU 133 N -0.07 1.00 -0.83 0.59 3.38 -0.39 -0.72 115.31 118.26 2wd7 h LEU 133 Ca 0.02 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2wd7 h LEU 133 Cb 0.20 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2wd7 h LEU 133 CO -0.00 0.96 0.25 -0.07 0.09 0.00 0.00 178.44 179.67 2wd7 h LEU 134 N 0.99 1.04 -0.07 1.67 3.38 -0.64 -0.60 115.31 121.08 2wd7 h LEU 134 Ca 0.21 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2wd7 h LEU 134 Cb 0.34 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2wd7 h LEU 134 CO -0.00 0.95 -0.00 0.74 0.09 0.00 0.00 178.44 180.22 2wd7 h THR 135 N 1.08 0.95 -0.23 0.22 2.02 -0.96 0.14 112.91 116.13 2wd7 h THR 135 Ca 0.24 -0.01 0.05 0.00 0.77 0.00 0.00 66.41 67.47 2wd7 h THR 135 Cb 0.27 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 67.56 2wd7 h THR 135 CO -0.01 0.00 -0.14 -0.03 0.37 0.00 0.00 175.52 175.71 2wd7 h MET 136 N 0.02 -0.13 -0.49 6.66 1.85 -0.80 -0.88 114.93 121.15 2wd7 h MET 136 Ca 0.03 0.01 -0.05 0.00 -0.61 0.00 0.00 59.70 59.08 2wd7 h MET 136 Cb 0.04 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.08 2wd7 h MET 136 CO -0.06 -0.09 0.10 0.77 -0.40 0.00 0.00 176.91 177.24 2wd7 h SER 137 N -0.13 0.76 -0.19 1.39 0.02 -0.92 -0.56 113.55 113.92 2wd7 h SER 137 Ca 0.13 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2wd7 h SER 137 Cb 0.32 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2wd7 h SER 137 CO -0.31 0.81 0.02 0.15 -1.14 0.00 0.00 176.83 176.36 2wd7 h PHE 138 N 0.68 0.03 -0.34 3.45 3.57 -0.56 -2.15 116.94 121.63 2wd7 h PHE 138 Ca 0.15 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2wd7 h PHE 138 Cb 0.36 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2wd7 h PHE 138 CO 0.02 0.00 0.04 0.00 -2.23 0.00 0.00 178.31 176.15 2wd7 h ALA 139 N 1.15 0.45 -0.91 2.41 0.00 -1.07 -3.17 119.26 118.12 2wd7 h ALA 139 Ca 0.09 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2wd7 h ALA 139 Cb 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2wd7 h ALA 139 CO -0.13 0.16 0.60 0.37 0.00 0.00 0.00 179.25 180.25 2wd7 h GLN 140 N 0.40 1.20 0.00 0.00 5.75 -0.99 -1.62 115.11 119.85 2wd7 h GLN 140 Ca 0.10 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2wd7 h GLN 140 Cb 0.37 -0.27 0.00 0.00 1.07 0.00 0.00 27.48 28.65 2wd7 h GLN 140 CO 0.01 0.80 0.00 0.54 -2.65 0.00 0.00 178.83 177.53 2wd7 n ARG 141 N -4.44 0.49 -2.70 1.69 5.12 -0.82 -5.10 116.66 110.90 2wd7 n ARG 141 Ca 0.10 0.04 -0.17 0.00 -1.93 0.00 0.00 57.85 55.90 2wd7 n ARG 141 Cb 0.02 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 29.88 2wd7 n ARG 141 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2wd7 n GLN 142 N -1.17 0.66 0.00 5.56 1.13 -0.61 -5.05 117.38 117.90 2wd7 n GLN 142 Ca 0.14 -2.70 0.00 0.00 -1.94 0.00 0.00 57.00 52.50 2wd7 n GLN 142 Cb 0.14 -0.21 0.00 0.00 0.11 0.00 0.00 30.24 30.28 2wd7 n GLN 142 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2wd7 n SER 152 N -2.42 0.00 -3.27 1.08 3.41 -1.26 -5.11 113.62 106.05 2wd7 n SER 152 Ca 0.14 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.52 2wd7 n SER 152 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 2wd7 n SER 152 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2wd7 n ASN 153 N 0.00 -0.98 -4.73 4.04 5.15 -1.26 -5.11 115.26 112.37 2wd7 n ASN 153 Ca 0.00 -2.49 -0.38 0.00 -0.60 0.00 0.00 54.58 51.11 2wd7 n ASN 153 Cb 0.00 -0.15 -0.06 0.00 -0.53 0.00 0.00 39.78 39.05 2wd7 n ASN 153 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2wd7 s LEU 154 N 0.11 4.30 0.20 1.20 1.43 -1.26 -4.81 118.68 119.84 2wd7 s LEU 154 Ca 0.33 0.90 -0.18 0.00 -1.03 0.00 0.00 54.13 54.14 2wd7 s LEU 154 Cb 0.04 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 43.53 2wd7 s LEU 154 CO -0.17 -0.00 0.54 -0.94 0.23 0.00 0.00 176.35 176.01 2wd7 s SER 155 N 0.56 -0.29 -0.05 2.29 1.04 -0.97 -1.61 113.70 114.67 2wd7 s SER 155 Ca 0.28 -0.44 0.04 0.00 0.48 0.00 0.00 55.95 56.32 2wd7 s SER 155 Cb -0.16 0.59 -0.00 0.00 0.10 0.00 0.00 66.02 66.55 2wd7 s SER 155 CO 0.12 -1.06 -0.18 -0.63 0.98 0.00 0.00 173.24 172.47 2wd7 s ILE 156 N -3.86 1.47 -0.12 -1.02 1.01 0.21 -2.39 121.20 116.49 2wd7 s ILE 156 Ca 0.08 -0.73 0.03 0.00 0.00 0.00 0.00 60.65 60.03 2wd7 s ILE 156 Cb -0.01 -1.27 0.01 0.00 0.01 0.00 0.00 42.46 41.20 2wd7 s ILE 156 CO -0.03 0.42 -0.20 -0.69 0.00 0.00 0.00 174.94 174.43 2wd7 s VAL 157 N 0.08 1.91 -0.22 2.92 1.01 -0.14 -1.01 120.40 124.94 2wd7 s VAL 157 Ca -0.05 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 2wd7 s VAL 157 Cb -0.12 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2wd7 s VAL 157 CO 0.03 0.52 0.08 0.20 0.00 0.00 0.00 175.10 175.92 2wd7 s ASN 158 N 0.78 5.45 -0.55 3.32 0.01 0.57 -0.80 114.94 123.71 2wd7 s ASN 158 Ca -0.09 -0.05 -0.28 0.00 -0.71 0.00 0.00 52.86 51.73 2wd7 s ASN 158 Cb -0.16 -1.96 0.01 0.00 0.41 0.00 0.00 41.25 39.55 2wd7 s ASN 158 CO -0.00 0.06 1.41 -0.76 -1.51 0.00 0.00 177.10 176.31 2wd7 s LEU 159 N 1.04 3.42 0.00 0.60 2.01 0.14 -1.36 118.68 124.52 2wd7 s LEU 159 Ca 0.04 0.33 0.00 0.00 0.01 0.00 0.00 54.13 54.51 2wd7 s LEU 159 Cb -0.14 -3.09 0.00 0.00 0.01 0.00 0.00 46.19 42.97 2wd7 s LEU 159 CO 0.03 -1.69 0.00 0.00 1.01 0.00 0.00 176.35 175.70 2wd7 s ASP 161 N -1.00 -0.51 0.39 0.00 -1.08 -1.26 -4.28 116.67 108.92 2wd7 s ASP 161 Ca 0.00 1.10 0.28 0.00 -0.52 0.00 0.00 52.55 53.41 2wd7 s ASP 161 Cb 0.00 1.34 1.18 0.00 -1.46 0.00 0.00 42.92 43.98 2wd7 s ASP 161 CO 0.00 -0.22 1.84 0.00 0.52 0.00 0.00 175.17 177.31 2wd7 h ALA 162 N 7.77 1.00 -0.58 3.66 0.00 -0.76 -2.70 119.26 127.66 2wd7 h ALA 162 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wd7 h ALA 162 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2wd7 h ALA 162 CO 0.16 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.08 2wd7 n MET 163 N -2.61 4.16 -0.07 0.00 2.81 -1.26 -4.61 117.12 115.54 2wd7 n MET 163 Ca 0.01 -2.84 0.22 0.00 -1.81 0.00 0.00 57.70 53.28 2wd7 n MET 163 Cb 0.25 -2.06 0.67 0.00 -0.71 0.00 0.00 33.22 31.38 2wd7 n MET 163 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 2wd7 h VAL 164 N 3.82 0.70 -0.03 2.03 -1.51 -1.88 -1.52 116.25 117.86 2wd7 h VAL 164 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 2wd7 h VAL 164 Cb 1.66 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 2wd7 h VAL 164 CO 0.35 0.01 -0.05 0.47 -1.23 0.00 0.00 177.57 177.12 2wd7 n ASP 165 N -4.37 2.70 -3.19 4.19 8.00 -1.26 -4.31 116.55 118.31 2wd7 n ASP 165 Ca 0.13 -1.88 -0.23 0.00 0.71 0.00 0.00 54.79 53.52 2wd7 n ASP 165 Cb 0.68 0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.78 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 1.05 1.43 -1.38 -1.24 6.02 -0.58 -5.13 117.38 117.54 2wd7 n GLN 166 Ca 0.14 -3.72 -0.29 0.00 -0.01 0.00 0.00 57.00 53.12 2wd7 n GLN 166 Cb 0.55 -1.68 0.13 0.00 1.02 0.00 0.00 30.24 30.27 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 -2.12 1.23 0.29 -1.09 0.04 -1.15 -4.91 135.00 127.29 2wd7 s PRO 167 Ca 0.39 0.55 -0.29 0.00 0.04 0.00 0.00 61.00 61.69 2wd7 s PRO 167 Cb 0.24 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.85 2wd7 s PRO 167 CO -0.09 -2.19 1.40 0.00 0.04 0.00 0.00 177.00 176.16 2wd7 n MET 169 N 1.61 2.53 -1.30 0.00 1.56 -1.26 -2.80 117.12 117.46 2wd7 n MET 169 Ca 0.04 0.90 -0.10 0.00 -0.27 0.00 0.00 57.70 58.27 2wd7 n MET 169 Cb 0.41 -2.68 -0.04 0.00 2.15 0.00 0.00 33.22 33.05 2wd7 n MET 169 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2wd7 n ALA 170 N 2.79 -0.16 -1.69 -5.12 0.00 -1.26 -4.94 120.51 110.13 2wd7 n ALA 170 Ca 0.12 0.17 -0.32 0.00 0.00 0.00 0.00 53.44 53.40 2wd7 n ALA 170 Cb 0.34 -1.32 0.05 0.00 0.00 0.00 0.00 19.45 18.52 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 -2.61 3.09 0.01 0.00 3.01 -1.12 0.53 117.46 120.37 2wd7 n PHE 171 Ca -0.10 -2.72 -0.10 0.00 1.01 0.00 0.00 57.45 55.54 2wd7 n PHE 171 Cb 0.38 -1.02 -0.03 0.00 -0.01 0.00 0.00 39.48 38.80 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 2.25 -0.40 -0.30 4.37 0.02 -1.85 -1.06 113.55 116.58 2wd7 h SER 172 Ca 0.52 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.50 2wd7 h SER 172 Cb 0.88 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 2wd7 h SER 172 CO 1.30 -0.17 0.02 0.25 -1.14 0.00 0.00 176.83 177.09 2wd7 h LEU 173 N -0.17 0.50 -0.26 5.07 5.85 -1.89 0.45 115.31 124.86 2wd7 h LEU 173 Ca 0.08 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.56 2wd7 h LEU 173 Cb 0.28 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2wd7 h LEU 173 CO -0.20 0.66 -0.05 0.22 -0.34 0.00 0.00 178.44 178.74 2wd7 h TYR 174 N 0.32 -0.10 -0.75 1.25 3.20 -1.81 -0.77 116.97 118.30 2wd7 h TYR 174 Ca 0.09 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 2wd7 h TYR 174 Cb 0.39 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 2wd7 h TYR 174 CO 0.03 -0.09 0.24 -0.97 -1.64 0.00 0.00 178.16 175.72 2wd7 h ASN 175 N 0.02 1.10 -0.43 -2.11 -0.00 -0.74 -1.03 115.58 112.39 2wd7 h ASN 175 Ca 0.13 -0.21 0.06 0.00 -0.00 0.00 0.00 56.30 56.28 2wd7 h ASN 175 Cb 0.18 -0.29 -0.05 0.00 -0.00 0.00 0.00 38.32 38.16 2wd7 h ASN 175 CO -0.25 1.01 0.13 0.24 -0.00 0.00 0.00 177.43 178.56 2wd7 h MET 176 N 1.12 0.27 -0.50 6.67 2.86 0.13 -0.12 114.93 125.37 2wd7 h MET 176 Ca 0.24 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.83 2wd7 h MET 176 Cb 0.31 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2wd7 h MET 176 CO -0.01 0.18 0.15 0.78 1.06 0.00 0.00 176.91 179.07 2wd7 h GLY 177 N 0.28 0.83 1.31 8.32 0.00 -0.58 -0.20 103.07 113.04 2wd7 h GLY 177 Ca 0.20 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 2wd7 h GLY 177 CO -0.23 0.47 0.10 0.50 0.00 0.00 0.00 176.54 177.37 2wd7 h LYS 178 N 0.67 0.86 -0.30 4.80 1.79 -0.98 -0.23 116.57 123.18 2wd7 h LYS 178 Ca 0.16 -0.19 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 2wd7 h LYS 178 Cb 0.29 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2wd7 h LYS 178 CO -0.00 0.79 0.11 0.45 -1.08 0.00 0.00 179.45 179.72 2wd7 h HIS 179 N 0.82 0.46 -0.97 -1.35 3.86 -0.83 -1.57 115.15 115.57 2wd7 h HIS 179 Ca 0.17 -0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.43 2wd7 h HIS 179 Cb 0.35 -0.14 -0.07 0.00 1.06 0.00 0.00 27.41 28.61 2wd7 h HIS 179 CO 0.02 0.46 0.61 0.00 0.86 0.00 0.00 177.93 179.88 2wd7 h ALA 180 N 0.95 1.40 -0.70 2.45 0.00 -0.80 -1.57 119.26 120.98 2wd7 h ALA 180 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2wd7 h ALA 180 Cb 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2wd7 h ALA 180 CO -0.01 0.31 0.33 1.25 0.00 0.00 0.00 179.25 181.13 2wd7 h LEU 181 N 1.04 0.91 -0.01 0.00 5.85 -0.65 0.41 115.31 122.86 2wd7 h LEU 181 Ca 0.45 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 59.07 2wd7 h LEU 181 Cb 0.31 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2wd7 h LEU 181 CO -0.22 0.78 -0.04 0.58 -0.34 0.00 0.00 178.44 179.20 2wd7 h VAL 182 N 1.00 0.89 -0.81 1.05 2.07 -0.73 0.71 116.25 120.43 2wd7 h VAL 182 Ca 0.24 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.85 2wd7 h VAL 182 Cb 0.12 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 2wd7 h VAL 182 CO -0.03 0.00 0.46 1.23 0.02 0.00 0.00 177.57 179.25 2wd7 h GLY 183 N -0.06 1.24 0.96 2.17 0.00 -0.75 -1.65 103.07 104.97 2wd7 h GLY 183 Ca 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 2wd7 h GLY 183 CO -0.05 0.15 0.19 -2.00 0.00 0.00 0.00 176.54 174.83 2wd7 h LEU 184 N 0.80 0.62 -0.44 3.11 5.85 -0.79 0.29 115.31 124.75 2wd7 h LEU 184 Ca 0.38 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 59.01 2wd7 h LEU 184 Cb 0.32 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2wd7 h LEU 184 CO -0.23 0.61 0.13 0.74 -0.34 0.00 0.00 178.44 179.35 2wd7 h THR 185 N 0.59 0.83 -0.09 1.05 2.02 -0.23 0.89 112.91 117.97 2wd7 h THR 185 Ca 0.15 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 2wd7 h THR 185 Cb 0.17 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2wd7 h THR 185 CO -0.01 0.05 -0.10 1.56 0.37 0.00 0.00 175.52 177.39 2wd7 h GLN 186 N 0.29 0.23 -0.47 6.66 4.20 -1.22 -1.28 115.11 123.52 2wd7 h GLN 186 Ca 0.21 -0.12 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 2wd7 h GLN 186 Cb 0.23 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2wd7 h GLN 186 CO -0.24 0.66 0.21 0.77 -0.67 0.00 0.00 178.83 179.56 2wd7 h SER 187 N -0.19 0.64 0.54 1.46 0.02 -0.70 -2.08 113.55 113.23 2wd7 h SER 187 Ca 0.01 -0.15 -0.18 0.00 -0.84 0.00 0.00 61.79 60.63 2wd7 h SER 187 Cb 0.62 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2wd7 h SER 187 CO 0.02 0.61 -0.80 0.00 -1.14 0.00 0.00 176.83 175.52 2wd7 h ALA 188 N 1.05 0.61 -0.33 3.77 0.00 -0.88 -1.89 119.26 121.60 2wd7 h ALA 188 Ca 0.16 -0.68 0.02 0.00 0.00 0.00 0.00 54.91 54.41 2wd7 h ALA 188 Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2wd7 h ALA 188 CO -0.02 0.87 0.19 0.00 0.00 0.00 0.00 179.25 180.29 2wd7 h ALA 189 N 1.04 0.41 0.25 0.00 0.00 -1.06 0.46 119.26 120.37 2wd7 h ALA 189 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2wd7 h ALA 189 Cb 1.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2wd7 h ALA 189 CO 0.12 -0.18 -0.12 1.25 0.00 0.00 0.00 179.25 180.32 2wd7 h LEU 190 N 0.38 -0.29 -0.59 0.00 5.85 -1.27 -1.98 115.31 117.42 2wd7 h LEU 190 Ca 0.13 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.67 2wd7 h LEU 190 Cb 0.02 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2wd7 h LEU 190 CO -0.07 -0.16 -0.60 -0.08 -0.34 0.00 0.00 178.44 177.19 2wd7 h GLU 191 N -0.39 0.35 0.00 1.25 4.81 -1.26 -3.29 114.58 116.04 2wd7 h GLU 191 Ca -0.03 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2wd7 h GLU 191 Cb 0.30 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2wd7 h GLU 191 CO 0.06 0.85 -0.76 1.28 -0.73 0.00 0.00 179.01 179.71 2wd7 n LEU 192 N -3.89 0.64 -0.26 1.64 4.77 0.15 -4.29 117.00 115.75 2wd7 n LEU 192 Ca -0.03 -0.09 0.05 0.00 -0.03 0.00 0.00 56.01 55.91 2wd7 n LEU 192 Cb 0.62 -0.15 0.16 0.00 -2.33 0.00 0.00 43.42 41.72 2wd7 n LEU 192 CO 0.46 0.12 0.82 0.00 -1.33 0.00 0.00 177.39 177.45 2wd7 h ALA 193 N 2.84 0.80 -0.78 -1.18 0.00 -1.42 -0.55 119.26 118.97 2wd7 h ALA 193 Ca 0.00 0.25 0.21 0.00 0.00 0.00 0.00 54.91 55.36 2wd7 h ALA 193 Cb 0.58 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2wd7 h ALA 193 CO 0.00 -0.43 0.55 -1.35 0.00 0.00 0.00 179.25 178.02 2wd7 h PRO 194 N 0.10 0.11 -0.09 0.00 0.11 -1.80 0.26 132.00 130.68 2wd7 h PRO 194 Ca 0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.52 2wd7 h PRO 194 Cb 0.74 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2wd7 h PRO 194 CO -0.68 0.07 0.00 0.66 -0.21 0.00 0.00 178.00 177.84 2wd7 n TYR 195 N -4.36 0.11 -1.25 0.65 4.02 -0.24 -4.91 117.16 111.18 2wd7 n TYR 195 Ca 0.16 -0.06 -0.08 0.00 -0.01 0.00 0.00 57.90 57.91 2wd7 n TYR 195 Cb 0.77 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 40.06 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 0.98 1.00 3.60 2.72 0.00 0.90 -4.99 105.19 109.40 2wd7 n GLY 196 Ca 0.15 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.19 5.10 0.26 -0.61 1.01 -1.04 -4.34 121.20 119.38 2wd7 s ILE 197 Ca 0.00 0.62 -0.10 0.00 0.00 0.00 0.00 60.65 61.17 2wd7 s ILE 197 Cb 0.00 -3.80 -0.07 0.00 0.01 0.00 0.00 42.46 38.60 2wd7 s ILE 197 CO 0.00 0.05 0.58 -0.13 0.00 0.00 0.00 174.94 175.44 2wd7 s ARG 198 N 2.22 3.80 -0.14 2.79 0.52 -0.63 -3.64 118.95 123.87 2wd7 s ARG 198 Ca 0.18 0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 55.64 2wd7 s ARG 198 Cb -0.16 -2.61 0.05 0.00 0.52 0.00 0.00 34.95 32.76 2wd7 s ARG 198 CO 0.10 0.27 0.08 0.08 0.02 0.00 0.00 175.30 175.85 2wd7 s VAL 199 N -1.90 -0.05 0.31 3.52 1.01 -1.26 -0.62 120.40 121.41 2wd7 s VAL 199 Ca 0.48 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.44 2wd7 s VAL 199 Cb -0.11 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2wd7 s VAL 199 CO 0.22 -0.17 0.14 0.20 0.00 0.00 0.00 175.10 175.50 2wd7 s ASN 200 N 2.13 1.66 0.07 3.32 0.01 -0.18 0.29 114.94 122.24 2wd7 s ASN 200 Ca 0.03 -1.53 0.04 0.00 -0.71 0.00 0.00 52.86 50.68 2wd7 s ASN 200 Cb -0.15 0.33 -0.03 0.00 0.41 0.00 0.00 41.25 41.81 2wd7 s ASN 200 CO -0.08 -0.85 -0.11 -0.83 -1.51 0.00 0.00 177.10 173.73 2wd7 s GLY 201 N -3.39 0.76 -0.08 0.66 0.00 0.40 -0.32 107.32 105.34 2wd7 s GLY 201 Ca 0.35 -1.02 0.04 0.00 0.00 0.00 0.00 44.72 44.09 2wd7 s GLY 201 CO 0.16 -1.07 -0.22 0.14 0.00 0.00 0.00 173.10 172.11 2wd7 s VAL 202 N -1.82 1.89 -0.43 1.40 1.01 -0.47 -0.86 120.40 121.12 2wd7 s VAL 202 Ca -0.01 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.07 2wd7 s VAL 202 Cb -0.07 -1.63 0.12 0.00 0.00 0.00 0.00 36.38 34.80 2wd7 s VAL 202 CO 0.01 0.52 0.17 0.00 0.00 0.00 0.00 175.10 175.80 2wd7 s ALA 203 N 0.28 2.82 0.74 5.51 0.00 0.48 -0.56 121.76 131.04 2wd7 s ALA 203 Ca -0.15 -2.77 -0.12 0.00 0.00 0.00 0.00 51.96 48.92 2wd7 s ALA 203 Cb -0.17 -2.00 0.04 0.00 0.00 0.00 0.00 23.12 21.00 2wd7 s ALA 203 CO 0.07 -1.88 1.11 -2.14 0.00 0.00 0.00 175.76 172.92 2wd7 s PRO 204 N 0.40 2.31 0.00 0.00 0.02 -1.26 -1.05 135.00 135.42 2wd7 s PRO 204 Ca 0.14 1.34 0.00 0.00 0.02 0.00 0.00 61.00 62.50 2wd7 s PRO 204 Cb -0.23 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.40 2wd7 s PRO 204 CO -0.05 -1.63 0.00 0.41 -0.33 0.00 0.00 177.00 175.40 2wd7 n GLY 205 N -0.68 -0.08 3.38 0.52 0.00 -1.20 -0.25 105.19 106.88 2wd7 n GLY 205 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 2wd7 n GLY 205 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wd7 s VAL 206 N 0.24 4.04 0.00 1.61 -7.23 -1.26 -4.84 120.40 112.95 2wd7 s VAL 206 Ca 0.00 -0.45 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 2wd7 s VAL 206 Cb 0.00 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2wd7 s VAL 206 CO 0.00 0.23 0.00 -0.24 -0.31 0.00 0.00 175.10 174.78 2wd7 n SER 207 N 4.88 0.00 -4.63 4.85 2.88 -1.26 -1.65 113.62 118.69 2wd7 n SER 207 Ca -0.16 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 56.90 2wd7 n SER 207 Cb 0.50 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.91 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 3.16 -4.79 2.46 4.77 -1.22 -4.57 117.00 116.81 2wd7 n LEU 208 Ca 0.00 0.76 -0.34 0.00 -0.03 0.00 0.00 56.01 56.40 2wd7 n LEU 208 Cb 0.00 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 39.72 2wd7 n LEU 208 CO 0.00 -0.28 0.74 -0.76 -1.33 0.00 0.00 177.39 175.76 2wd7 s LEU 209 N 5.31 3.65 0.44 2.23 1.43 -1.26 -4.96 118.68 125.51 2wd7 s LEU 209 Ca 0.97 1.98 -0.26 0.00 -1.03 0.00 0.00 54.13 55.79 2wd7 s LEU 209 Cb -0.68 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 40.90 2wd7 s LEU 209 CO 0.49 -1.15 1.42 -2.84 0.23 0.00 0.00 176.35 174.50 2wd7 s PRO 210 N -3.63 3.77 0.27 1.29 0.02 -1.26 -4.88 135.00 130.58 2wd7 s PRO 210 Ca 0.68 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 64.09 2wd7 s PRO 210 Cb -0.19 -2.71 0.47 0.00 0.02 0.00 0.00 34.50 32.09 2wd7 s PRO 210 CO 0.30 -0.75 1.84 -0.39 -0.33 0.00 0.00 177.00 177.67 2wd7 h VAL 211 N 2.41 0.95 0.00 3.83 -1.51 -2.03 -1.17 116.25 118.73 2wd7 h VAL 211 Ca -0.51 -0.33 -0.03 0.00 -1.23 0.00 0.00 66.70 64.60 2wd7 h VAL 211 Cb 1.26 -0.10 -0.00 0.00 -2.13 0.00 0.00 31.29 30.32 2wd7 h VAL 211 CO 0.62 0.18 -0.14 0.00 -1.23 0.00 0.00 177.57 176.99 2wd7 h ALA 212 N 1.49 1.24 -2.75 5.19 0.00 -2.04 -3.45 119.26 118.95 2wd7 h ALA 212 Ca 0.45 -0.13 -0.53 0.00 0.00 0.00 0.00 54.91 54.70 2wd7 h ALA 212 Cb 0.38 -0.02 0.07 0.00 0.00 0.00 0.00 17.79 18.22 2wd7 h ALA 212 CO -0.24 0.18 0.86 1.41 0.00 0.00 0.00 179.25 181.46 2wd7 s MET 213 N -4.10 4.18 0.74 0.00 0.00 -0.44 -4.96 119.30 114.71 2wd7 s MET 213 Ca -0.02 2.47 -0.15 0.00 0.00 0.00 0.00 55.69 57.99 2wd7 s MET 213 Cb 0.13 -3.07 0.05 0.00 0.00 0.00 0.00 34.83 31.93 2wd7 s MET 213 CO 0.60 -0.58 1.21 0.20 0.00 0.00 0.00 175.02 176.45 2wd7 s GLY 214 N 0.59 2.31 0.17 2.11 0.00 -1.26 -4.87 107.32 106.37 2wd7 s GLY 214 Ca 0.64 0.87 -0.10 0.00 0.00 0.00 0.00 44.72 46.13 2wd7 s GLY 214 CO 0.43 1.27 1.61 -2.09 0.00 0.00 0.00 173.10 174.33 2wd7 h GLU 215 N -0.41 1.04 -0.02 2.90 4.57 -1.97 -1.63 114.58 119.06 2wd7 h GLU 215 Ca -0.47 -0.36 -0.15 0.00 -1.18 0.00 0.00 59.36 57.20 2wd7 h GLU 215 Cb 1.29 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 2wd7 h GLU 215 CO 0.49 1.05 -0.67 1.49 -1.18 0.00 0.00 179.01 180.19 2wd7 h GLU 216 N 0.92 0.08 -0.13 1.92 4.22 -2.00 -2.59 114.58 117.01 2wd7 h GLU 216 Ca 0.15 -0.06 -0.18 0.00 0.08 0.00 0.00 59.36 59.36 2wd7 h GLU 216 Cb 0.61 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2wd7 h GLU 216 CO 0.04 0.72 -0.65 1.49 -2.18 0.00 0.00 179.01 178.42 2wd7 h GLU 217 N 0.06 0.49 -0.20 1.92 4.22 -1.88 -1.93 114.58 117.26 2wd7 h GLU 217 Ca -0.01 -0.36 -0.00 0.00 0.08 0.00 0.00 59.36 59.07 2wd7 h GLU 217 Cb 1.18 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 2wd7 h GLU 217 CO 0.09 0.98 0.12 0.87 -2.18 0.00 0.00 179.01 178.89 2wd7 h LYS 218 N 0.36 0.28 -0.37 1.92 1.57 -1.12 -2.90 116.57 116.31 2wd7 h LYS 218 Ca -0.02 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2wd7 h LYS 218 Cb 1.21 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 2wd7 h LYS 218 CO 0.12 0.24 0.06 -0.44 -0.57 0.00 0.00 179.45 178.85 2wd7 h ASP 219 N 0.24 0.52 -0.49 0.86 3.32 -1.39 -1.79 116.42 117.68 2wd7 h ASP 219 Ca 0.07 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.11 2wd7 h ASP 219 Cb 0.03 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 2wd7 h ASP 219 CO -0.01 0.55 0.17 0.11 -1.72 0.00 0.00 179.24 178.33 2wd7 h LYS 220 N 0.54 0.33 -0.18 3.56 1.57 -1.22 -1.54 116.57 119.63 2wd7 h LYS 220 Ca 0.12 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 2wd7 h LYS 220 Cb 0.26 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2wd7 h LYS 220 CO 0.00 0.22 -0.05 -1.49 -0.57 0.00 0.00 179.45 177.56 2wd7 h TRP 221 N 0.34 0.40 -0.67 -1.35 4.06 -1.25 -3.20 115.95 114.28 2wd7 h TRP 221 Ca 0.24 -0.09 0.08 0.00 2.06 0.00 0.00 58.89 61.18 2wd7 h TRP 221 Cb 0.26 -0.10 -0.07 0.00 -1.00 0.00 0.00 29.16 28.26 2wd7 h TRP 221 CO -0.17 0.62 0.34 0.00 -3.56 0.00 0.00 178.44 175.67 2wd7 h ARG 222 N 0.07 0.58 0.00 0.49 3.08 -1.27 -2.04 114.38 115.29 2wd7 h ARG 222 Ca 0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2wd7 h ARG 222 Cb 0.50 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2wd7 h ARG 222 CO 0.02 0.38 0.00 0.00 -1.07 0.00 0.00 179.97 179.30 2wd7 h ARG 223 N 0.59 0.00 0.00 0.04 3.08 -1.28 -2.50 114.38 114.32 2wd7 h ARG 223 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 2wd7 h ARG 223 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2wd7 h ARG 223 CO -0.24 0.00 -0.34 0.87 -1.07 0.00 0.00 179.97 179.19 2wd7 h LYS 224 N 0.00 0.00 -6.31 0.04 1.57 -1.38 -3.46 116.57 107.02 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 0.16 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.42 2wd7 h LYS 224 CO 0.00 0.00 0.90 0.08 -0.57 0.00 0.00 179.45 179.86 2wd7 s VAL 225 N -3.21 4.34 0.23 0.50 1.01 -0.95 -4.81 120.40 117.52 2wd7 s VAL 225 Ca 0.06 1.54 -0.07 0.00 0.00 0.00 0.00 61.98 63.52 2wd7 s VAL 225 Cb 0.09 -4.27 0.18 0.00 0.00 0.00 0.00 36.38 32.38 2wd7 s VAL 225 CO 0.69 -0.45 1.80 -0.65 0.00 0.00 0.00 175.10 176.49 2wd7 h PRO 226 N 8.58 0.68 -5.51 2.72 0.11 -1.84 -1.97 132.00 134.78 2wd7 h PRO 226 Ca -0.23 -0.04 -0.66 0.00 0.11 0.00 0.00 66.00 65.17 2wd7 h PRO 226 Cb 1.08 -0.15 -0.13 0.00 0.11 0.00 0.00 31.00 31.90 2wd7 h PRO 226 CO 1.03 0.45 1.34 -1.17 -0.21 0.00 0.00 178.00 179.44 2wd7 s LEU 227 N -10.28 4.31 0.00 2.35 2.96 -0.68 -4.28 118.68 113.04 2wd7 s LEU 227 Ca -0.13 -2.01 0.00 0.00 -0.22 0.00 0.00 54.13 51.78 2wd7 s LEU 227 Cb 0.18 -2.49 0.00 0.00 0.50 0.00 0.00 46.19 44.38 2wd7 s LEU 227 CO 0.77 -1.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.21 2wd7 n GLY 228 N 5.82 0.85 4.03 7.98 0.00 -1.26 -4.39 105.19 118.22 2wd7 n GLY 228 Ca 0.33 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.08 -3.07 -3.95 1.61 5.12 -0.74 -4.95 116.66 108.61 2wd7 n ARG 229 Ca 0.00 0.37 -0.09 0.00 -1.93 0.00 0.00 57.85 56.20 2wd7 n ARG 229 Cb 0.00 -4.53 -0.07 0.00 -1.16 0.00 0.00 32.46 26.70 2wd7 n ARG 229 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2wd7 s ARG 230 N -6.69 1.09 0.64 5.56 1.70 -1.18 -4.27 118.95 115.79 2wd7 s ARG 230 Ca 0.12 -1.15 -0.09 0.00 -0.47 0.00 0.00 55.73 54.14 2wd7 s ARG 230 Cb -0.07 0.36 -0.00 0.00 -0.57 0.00 0.00 34.95 34.68 2wd7 s ARG 230 CO 0.90 -0.39 1.00 -1.83 -1.08 0.00 0.00 175.30 173.91 2wd7 s GLU 231 N -3.95 3.10 0.30 3.89 1.03 -1.26 -4.83 118.70 116.97 2wd7 s GLU 231 Ca 0.15 0.38 -0.29 0.00 0.03 0.00 0.00 54.97 55.25 2wd7 s GLU 231 Cb 0.04 -2.13 -0.10 0.00 -0.80 0.00 0.00 34.13 31.14 2wd7 s GLU 231 CO -0.02 -0.77 1.19 0.00 -1.33 0.00 0.00 175.26 174.33 2wd7 s ALA 232 N -3.17 3.45 0.80 -0.84 0.00 -0.66 -4.95 121.76 116.39 2wd7 s ALA 232 Ca 0.55 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 53.47 2wd7 s ALA 232 Cb -0.11 -3.40 0.08 0.00 0.00 0.00 0.00 23.12 19.69 2wd7 s ALA 232 CO 0.50 -0.38 1.12 -1.54 0.00 0.00 0.00 175.76 175.46 2wd7 s SER 233 N -0.69 4.02 0.43 0.00 1.04 -1.26 -3.45 113.70 113.79 2wd7 s SER 233 Ca 0.46 2.00 0.11 0.00 0.48 0.00 0.00 55.95 59.01 2wd7 s SER 233 Cb -0.35 -2.54 0.94 0.00 0.10 0.00 0.00 66.02 64.16 2wd7 s SER 233 CO 0.46 -2.36 2.02 0.00 0.98 0.00 0.00 173.24 174.34 2wd7 h ALA 234 N -1.19 1.70 -0.38 5.32 0.00 -1.96 -2.89 119.26 119.86 2wd7 h ALA 234 Ca -0.44 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 2wd7 h ALA 234 Cb 1.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2wd7 h ALA 234 CO 0.48 0.23 -0.13 0.93 0.00 0.00 0.00 179.25 180.77 2wd7 h GLU 235 N 0.25 0.68 -0.49 0.00 3.07 -1.92 -1.62 114.58 114.54 2wd7 h GLU 235 Ca 0.06 -0.22 -0.08 0.00 -0.50 0.00 0.00 59.36 58.62 2wd7 h GLU 235 Cb 0.16 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 2wd7 h GLU 235 CO 0.00 0.79 -0.01 1.96 -1.40 0.00 0.00 179.01 180.35 2wd7 h GLN 236 N 0.62 0.82 -0.23 2.33 4.20 -1.89 0.13 115.11 121.09 2wd7 h GLN 236 Ca 0.11 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 2wd7 h GLN 236 Cb 0.58 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2wd7 h GLN 236 CO 0.04 0.83 0.09 0.82 -0.67 0.00 0.00 178.83 179.94 2wd7 h ILE 237 N 0.77 1.17 -0.52 2.54 1.08 -1.46 -3.14 117.51 117.96 2wd7 h ILE 237 Ca 0.15 -0.52 -0.03 0.00 -0.39 0.00 0.00 64.86 64.07 2wd7 h ILE 237 Cb 0.47 1.08 -0.03 0.00 -3.07 0.00 0.00 36.82 35.28 2wd7 h ILE 237 CO 0.02 0.17 0.21 0.00 -0.69 0.00 0.00 178.15 177.86 2wd7 h ALA 238 N 0.93 1.39 -0.80 1.87 0.00 -0.72 -2.62 119.26 119.31 2wd7 h ALA 238 Ca 0.08 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.97 2wd7 h ALA 238 Cb 0.18 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.68 2wd7 h ALA 238 CO -0.01 0.46 0.41 -0.44 0.00 0.00 0.00 179.25 179.67 2wd7 h ASP 239 N 0.73 0.52 -0.34 0.00 3.32 -0.71 0.85 116.42 120.80 2wd7 h ASP 239 Ca 0.18 0.08 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 2wd7 h ASP 239 Cb 0.15 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2wd7 h ASP 239 CO -0.02 0.26 -0.36 0.00 -1.72 0.00 0.00 179.24 177.40 2wd7 h ALA 240 N 1.50 0.65 0.13 3.45 0.00 -1.49 -1.68 119.26 121.81 2wd7 h ALA 240 Ca 0.42 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wd7 h ALA 240 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2wd7 h ALA 240 CO -0.32 0.67 -0.11 0.28 0.00 0.00 0.00 179.25 179.77 2wd7 h VAL 241 N 0.73 0.74 -0.74 0.00 2.07 -1.19 -1.89 116.25 115.98 2wd7 h VAL 241 Ca 0.07 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.71 2wd7 h VAL 241 Cb 0.93 0.74 -0.09 0.00 -1.52 0.00 0.00 31.29 31.36 2wd7 h VAL 241 CO 0.09 0.00 0.32 0.40 0.02 0.00 0.00 177.57 178.39 2wd7 h ILE 242 N -0.26 0.72 0.15 4.57 1.08 -0.72 -1.69 117.51 121.36 2wd7 h ILE 242 Ca 0.00 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 2wd7 h ILE 242 Cb 0.24 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.17 2wd7 h ILE 242 CO -0.02 0.09 -0.12 0.15 -0.69 0.00 0.00 178.15 177.55 2wd7 h PHE 243 N 0.49 -0.32 -0.50 1.37 3.57 -1.16 -2.63 116.94 117.78 2wd7 h PHE 243 Ca 0.39 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.90 2wd7 h PHE 243 Cb 0.54 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2wd7 h PHE 243 CO -0.15 -0.19 0.33 -0.07 -2.23 0.00 0.00 178.31 176.00 2wd7 h LEU 244 N -0.28 0.56 0.00 0.59 3.38 -0.59 -2.08 115.31 116.88 2wd7 h LEU 244 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2wd7 h LEU 244 Cb 0.26 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wd7 h LEU 244 CO -0.02 0.41 -0.18 1.33 0.09 0.00 0.00 178.44 180.07 2wd7 n VAL 245 N -4.46 0.18 -2.02 1.22 0.24 -0.71 -4.69 118.33 108.09 2wd7 n VAL 245 Ca 0.05 -0.10 -0.28 0.00 -2.04 0.00 0.00 64.34 61.97 2wd7 n VAL 245 Cb 0.06 -0.32 0.09 0.00 -1.47 0.00 0.00 33.84 32.20 2wd7 n VAL 245 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2wd7 s SER 246 N -3.51 4.51 0.30 -1.34 1.04 -0.78 -4.95 113.70 108.97 2wd7 s SER 246 Ca 0.12 0.61 0.24 0.00 0.48 0.00 0.00 55.95 57.39 2wd7 s SER 246 Cb 0.16 -1.12 1.09 0.00 0.10 0.00 0.00 66.02 66.25 2wd7 s SER 246 CO 0.60 -1.86 1.73 1.23 0.98 0.00 0.00 173.24 175.93 2wd7 h GLY 247 N -0.93 0.00 1.48 7.32 0.00 -1.91 -2.63 103.07 106.41 2wd7 h GLY 247 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2wd7 h GLY 247 CO 0.61 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.59 2wd7 n SER 248 N -2.32 0.00 -0.26 0.19 7.64 -1.26 -3.20 113.62 114.41 2wd7 n SER 248 Ca 0.01 -0.22 0.08 0.00 1.01 0.00 0.00 58.87 59.76 2wd7 n SER 248 Cb 0.18 -0.24 0.16 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.24 2.70 0.28 -0.43 0.00 -0.99 -4.86 120.51 115.96 2wd7 n ALA 249 Ca 0.14 -2.81 0.10 0.00 0.00 0.00 0.00 53.44 50.87 2wd7 n ALA 249 Cb 0.20 -0.38 0.47 0.00 0.00 0.00 0.00 19.45 19.74 2wd7 n ALA 249 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wd7 n GLN 250 N -1.29 0.14 0.00 0.00 6.02 -1.19 -1.34 117.38 119.72 2wd7 n GLN 250 Ca 0.16 0.50 0.09 0.00 -0.01 0.00 0.00 57.00 57.74 2wd7 n GLN 250 Cb 0.66 -1.84 0.02 0.00 1.02 0.00 0.00 30.24 30.10 2wd7 n GLN 250 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 2wd7 n TYR 251 N -2.12 0.00 -3.24 1.08 9.36 -1.26 -4.96 117.16 116.03 2wd7 n TYR 251 Ca 0.01 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.82 2wd7 n TYR 251 Cb 0.13 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.76 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 -1.94 5.06 -0.05 2.97 1.01 -0.45 -5.04 121.20 122.76 2wd7 s ILE 252 Ca 0.17 0.78 -0.16 0.00 0.00 0.00 0.00 60.65 61.44 2wd7 s ILE 252 Cb 0.15 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.79 2wd7 s ILE 252 CO 0.39 0.03 0.36 0.28 0.00 0.00 0.00 174.94 176.00 2wd7 s THR 253 N 2.33 0.04 -0.45 2.92 -1.32 -1.26 -4.65 115.64 113.25 2wd7 s THR 253 Ca 0.21 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.38 2wd7 s THR 253 Cb -0.16 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.21 2wd7 s THR 253 CO 0.10 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 2wd7 n GLY 254 N 1.69 0.71 3.73 6.08 0.00 0.14 -4.95 105.19 112.59 2wd7 n GLY 254 Ca -0.19 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 2wd7 n GLY 254 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wd7 s SER 255 N -2.82 5.47 -0.22 1.61 0.01 -1.26 -4.86 113.70 111.64 2wd7 s SER 255 Ca 0.00 0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.47 2wd7 s SER 255 Cb 0.00 -1.58 0.04 0.00 0.21 0.00 0.00 66.02 64.69 2wd7 s SER 255 CO 0.00 0.37 -0.16 -0.63 0.41 0.00 0.00 173.24 173.23 2wd7 s ILE 256 N -0.96 2.10 -0.33 1.44 1.01 -1.26 -0.45 121.20 122.75 2wd7 s ILE 256 Ca 0.15 -1.26 -0.20 0.00 0.00 0.00 0.00 60.65 59.34 2wd7 s ILE 256 Cb -0.12 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 2wd7 s ILE 256 CO 0.04 0.27 0.60 -0.63 0.00 0.00 0.00 174.94 175.22 2wd7 s ILE 257 N 1.21 4.95 0.18 2.92 1.01 -0.04 -4.93 121.20 126.50 2wd7 s ILE 257 Ca -0.02 0.67 -0.30 0.00 0.00 0.00 0.00 60.65 61.01 2wd7 s ILE 257 Cb -0.16 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.23 2wd7 s ILE 257 CO -0.09 -0.19 1.26 -0.54 0.00 0.00 0.00 174.94 175.38 2wd7 s LYS 258 N 2.57 4.43 -0.56 2.79 1.02 -1.26 -0.38 119.74 128.34 2wd7 s LYS 258 Ca 0.23 1.96 0.04 0.00 0.02 0.00 0.00 55.97 58.23 2wd7 s LYS 258 Cb -0.15 -3.23 0.17 0.00 -0.52 0.00 0.00 37.83 34.10 2wd7 s LYS 258 CO 0.13 -0.19 0.41 0.08 -0.92 0.00 0.00 175.35 174.86 2wd7 s VAL 259 N 0.15 1.65 0.00 3.17 1.01 -0.21 -4.88 120.40 121.29 2wd7 s VAL 259 Ca 0.56 -3.46 0.00 0.00 0.00 0.00 0.00 61.98 59.07 2wd7 s VAL 259 Cb -0.34 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 33.94 2wd7 s VAL 259 CO 0.37 -1.11 0.26 -0.90 0.00 0.00 0.00 175.10 173.71 2wd7 n ASP 260 N 2.43 0.27 -2.06 3.32 5.75 -1.26 -3.26 116.55 121.74 2wd7 n ASP 260 Ca 0.24 -1.06 -0.19 0.00 -0.01 0.00 0.00 54.79 53.76 2wd7 n ASP 260 Cb 0.41 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.46 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 -0.03 0.46 1.57 6.12 0.00 -1.26 -1.65 105.19 110.39 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 -0.72 0.77 0.23 -0.02 0.00 -1.26 -1.69 105.19 102.49 2wd7 n GLY 262 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 0.42 -1.53 0.99 5.85 -1.63 -1.44 115.31 117.98 2wd7 h LEU 263 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2wd7 h LEU 263 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2wd7 h LEU 263 CO 0.00 0.28 0.00 0.77 -0.34 0.00 0.00 178.44 179.15 2wd7 h SER 264 N 0.56 0.00 0.70 1.25 4.64 -1.87 -1.81 113.55 117.02 2wd7 h SER 264 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2wd7 h SER 264 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2wd7 h SER 264 CO -0.18 0.00 -0.29 0.18 -0.87 0.00 0.00 176.83 175.67 2wd7 n LEU 265 N -2.39 0.30 -4.64 5.97 4.77 -0.54 -4.87 117.00 115.60 2wd7 n LEU 265 Ca -0.01 0.20 -0.42 0.00 -0.03 0.00 0.00 56.01 55.76 2wd7 n LEU 265 Cb 0.08 -0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 40.77 2wd7 n LEU 265 CO 0.13 0.07 0.61 -0.69 -1.33 0.00 0.00 177.39 176.18 2wd7 s VAL 266 N -2.99 4.85 0.72 4.08 1.01 -0.68 -5.04 120.40 122.34 2wd7 s VAL 266 Ca 0.12 1.45 -0.11 0.00 0.00 0.00 0.00 61.98 63.44 2wd7 s VAL 266 Cb 0.18 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.49 2wd7 s VAL 266 CO 0.63 -0.09 1.07 -1.38 0.00 0.00 0.00 175.10 175.33 2wd7 s HIS 267 N 2.82 2.88 -0.62 5.22 -3.43 -1.26 -5.09 115.29 115.80 2wd7 s HIS 267 Ca 0.33 1.48 0.00 0.00 -0.80 0.00 0.00 55.06 56.08 2wd7 s HIS 267 Cb -0.15 -2.96 0.00 0.00 -1.43 0.00 0.00 32.58 28.04 2wd7 s HIS 267 CO 0.08 -1.47 0.15 0.00 -2.00 0.00 0.00 174.74 171.51