#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 3.25 0.88 4.31 0.00 -1.26 -5.05 121.76 123.90 2wd7 s ALA 3 Ca 0.00 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.44 2wd7 s ALA 3 Cb 0.00 -3.21 0.12 0.00 0.00 0.00 0.00 23.12 20.03 2wd7 s ALA 3 CO 0.00 0.12 1.09 -1.25 0.00 0.00 0.00 175.76 175.73 2wd7 s PRO 4 N -1.78 1.39 0.01 0.00 0.04 -1.26 -4.77 135.00 128.63 2wd7 s PRO 4 Ca 0.48 0.82 0.05 0.00 0.04 0.00 0.00 61.00 62.38 2wd7 s PRO 4 Cb -0.22 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 2wd7 s PRO 4 CO 0.28 -2.15 -0.16 0.00 0.04 0.00 0.00 177.00 175.01 2wd7 s ALA 5 N -2.96 1.36 0.03 8.56 0.00 -1.26 -0.77 121.76 126.72 2wd7 s ALA 5 Ca 0.63 -0.78 0.04 0.00 0.00 0.00 0.00 51.96 51.85 2wd7 s ALA 5 Cb -0.17 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2wd7 s ALA 5 CO 0.57 0.31 -0.11 0.00 0.00 0.00 0.00 175.76 176.52 2wd7 s ALA 6 N -0.55 0.94 -0.20 0.00 0.00 0.66 -0.37 121.76 122.24 2wd7 s ALA 6 Ca 0.05 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.26 2wd7 s ALA 6 Cb -0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 2wd7 s ALA 6 CO 0.00 0.17 0.07 0.08 0.00 0.00 0.00 175.76 176.08 2wd7 s VAL 7 N -0.73 4.73 -0.14 0.00 1.01 -0.04 -0.64 120.40 124.58 2wd7 s VAL 7 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2wd7 s VAL 7 Cb -0.07 -3.15 0.01 0.00 0.00 0.00 0.00 36.38 33.17 2wd7 s VAL 7 CO 0.01 0.42 -0.19 -0.69 0.00 0.00 0.00 175.10 174.64 2wd7 s VAL 8 N 0.70 1.90 0.28 2.92 1.01 -0.82 -0.61 120.40 125.78 2wd7 s VAL 8 Ca 0.04 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.99 2wd7 s VAL 8 Cb -0.13 -1.71 -0.08 0.00 0.00 0.00 0.00 36.38 34.46 2wd7 s VAL 8 CO 0.02 0.52 0.70 0.42 0.00 0.00 0.00 175.10 176.75 2wd7 s THR 9 N 1.01 4.70 -1.44 3.92 -4.23 -0.90 -1.57 115.64 117.13 2wd7 s THR 9 Ca -0.03 0.95 -0.10 0.00 -1.18 0.00 0.00 61.69 61.33 2wd7 s THR 9 Cb -0.15 -3.67 0.05 0.00 1.34 0.00 0.00 72.50 70.07 2wd7 s THR 9 CO -0.05 -0.06 0.96 0.61 -0.54 0.00 0.00 174.62 175.54 2wd7 n GLY 10 N -0.03 -0.46 1.16 3.99 0.00 -1.09 -2.80 105.19 105.96 2wd7 n GLY 10 Ca 0.01 0.19 0.10 0.00 0.00 0.00 0.00 46.02 46.33 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 -4.64 2.40 0.19 4.61 0.00 -0.27 -4.24 120.51 118.56 2wd7 n ALA 11 Ca -0.05 -1.09 0.06 0.00 0.00 0.00 0.00 53.44 52.36 2wd7 n ALA 11 Cb 0.57 -0.95 0.35 0.00 0.00 0.00 0.00 19.45 19.42 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 4.21 1.01 -2.72 0.00 0.00 -1.87 -2.92 119.26 116.96 2wd7 h ALA 12 Ca 0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 2wd7 h ALA 12 Cb 0.86 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.47 2wd7 h ALA 12 CO 0.00 0.45 -0.40 0.15 0.00 0.00 0.00 179.25 179.45 2wd7 s LYS 13 N -3.64 1.41 3.53 0.00 1.02 -1.26 -4.34 119.74 116.46 2wd7 s LYS 13 Ca -0.00 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 54.46 2wd7 s LYS 13 Cb 0.11 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.78 2wd7 s LYS 13 CO 0.68 -0.53 0.00 0.54 -0.92 0.00 0.00 175.35 175.12 2wd7 n ARG 14 N -0.35 0.00 -0.14 1.68 1.74 -1.26 -1.34 116.66 116.99 2wd7 n ARG 14 Ca 0.01 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.99 2wd7 n ARG 14 Cb 0.64 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.07 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 1.24 -1.00 0.55 2.04 -1.91 -1.86 117.51 116.56 2wd7 h ILE 15 Ca 0.00 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.02 2wd7 h ILE 15 Cb 0.00 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 2wd7 h ILE 15 CO 0.00 0.30 0.66 1.23 0.00 0.00 0.00 178.15 180.34 2wd7 h GLY 16 N 0.53 1.48 1.00 5.37 0.00 -1.70 0.08 103.07 109.84 2wd7 h GLY 16 Ca 0.12 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2wd7 h GLY 16 CO 0.01 0.41 0.23 -0.09 0.00 0.00 0.00 176.54 177.09 2wd7 h ARG 17 N 1.25 0.93 -0.79 4.80 2.43 -0.90 -1.56 114.38 120.55 2wd7 h ARG 17 Ca 0.41 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2wd7 h ARG 17 Cb 0.04 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 2wd7 h ARG 17 CO -0.14 0.80 0.36 0.00 -1.51 0.00 0.00 179.97 179.48 2wd7 h ALA 18 N 1.08 1.14 0.13 2.80 0.00 -0.48 0.14 119.26 124.07 2wd7 h ALA 18 Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2wd7 h ALA 18 Cb 0.23 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2wd7 h ALA 18 CO -0.01 0.64 -0.06 0.82 0.00 0.00 0.00 179.25 180.63 2wd7 h ILE 19 N 1.13 1.01 -0.73 0.00 2.04 -0.89 -1.87 117.51 118.19 2wd7 h ILE 19 Ca 0.27 -0.57 0.09 0.00 1.00 0.00 0.00 64.86 65.65 2wd7 h ILE 19 Cb 0.15 1.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 2wd7 h ILE 19 CO -0.03 0.14 0.38 0.00 0.00 0.00 0.00 178.15 178.63 2wd7 h ALA 20 N 0.39 1.01 -0.54 1.87 0.00 -0.92 -0.74 119.26 120.33 2wd7 h ALA 20 Ca -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2wd7 h ALA 20 Cb 0.35 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2wd7 h ALA 20 CO 0.03 -0.01 0.28 0.28 0.00 0.00 0.00 179.25 179.83 2wd7 h VAL 21 N 0.65 1.19 -0.24 0.00 2.07 -0.71 -0.96 116.25 118.25 2wd7 h VAL 21 Ca 0.35 -0.51 -0.18 0.00 0.82 0.00 0.00 66.70 67.18 2wd7 h VAL 21 Cb 0.35 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2wd7 h VAL 21 CO -0.26 0.21 -0.57 0.50 0.02 0.00 0.00 177.57 177.48 2wd7 h LYS 22 N 0.73 0.81 -0.56 1.57 3.64 -0.90 0.24 116.57 122.09 2wd7 h LYS 22 Ca 0.19 -0.55 0.06 0.00 -1.27 0.00 0.00 60.65 59.08 2wd7 h LYS 22 Cb 0.08 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.92 2wd7 h LYS 22 CO -0.03 1.17 0.26 -0.07 -2.27 0.00 0.00 179.45 178.52 2wd7 h LEU 23 N 0.56 0.35 -0.11 5.20 3.38 -1.12 -0.36 115.31 123.21 2wd7 h LEU 23 Ca -0.00 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.03 2wd7 h LEU 23 Cb 1.18 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2wd7 h LEU 23 CO 0.12 0.23 -0.03 -0.74 0.09 0.00 0.00 178.44 178.11 2wd7 h HIS 24 N 0.50 -0.07 0.00 1.13 2.76 -0.90 -0.24 115.15 118.33 2wd7 h HIS 24 Ca 0.26 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.41 2wd7 h HIS 24 Cb 0.21 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 2wd7 h HIS 24 CO -0.12 -0.06 -0.16 1.96 -1.30 0.00 0.00 177.93 178.26 2wd7 h GLN 25 N -0.01 0.00 0.00 5.26 4.20 -0.62 0.98 115.11 124.92 2wd7 h GLN 25 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2wd7 h GLN 25 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2wd7 h GLN 25 CO -0.12 0.16 0.00 1.15 -0.67 0.00 0.00 178.83 179.35 2wd7 h THR 26 N 0.00 0.00 0.00 -0.54 2.02 -0.69 -3.47 112.91 110.23 2wd7 h THR 26 Ca -0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2wd7 h THR 26 Cb 0.31 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 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 0.40 0.86 3.77 2.16 0.00 0.34 -5.08 105.19 107.64 2wd7 n GLY 27 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 3.36 0.21 1.61 1.51 -0.14 -4.44 117.35 117.46 2wd7 s TYR 28 Ca 0.00 1.66 -0.25 0.00 -1.01 0.00 0.00 57.07 57.47 2wd7 s TYR 28 Cb 0.00 -3.20 -0.08 0.00 -0.11 0.00 0.00 41.96 38.57 2wd7 s TYR 28 CO 0.00 -0.64 0.82 1.03 -1.11 0.00 0.00 175.55 175.65 2wd7 s ARG 29 N -2.12 4.56 -0.03 -0.62 0.52 0.05 -4.18 118.95 117.14 2wd7 s ARG 29 Ca 0.53 1.19 0.05 0.00 -0.52 0.00 0.00 55.73 56.98 2wd7 s ARG 29 Cb -0.26 -3.12 -0.01 0.00 0.52 0.00 0.00 34.95 32.08 2wd7 s ARG 29 CO 0.33 0.49 -0.18 0.14 0.02 0.00 0.00 175.30 176.10 2wd7 s VAL 30 N -1.30 1.46 -0.33 3.52 -7.23 -0.38 -0.25 120.40 115.90 2wd7 s VAL 30 Ca 0.40 -0.76 -0.14 0.00 -1.81 0.00 0.00 61.98 59.67 2wd7 s VAL 30 Cb -0.22 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 2wd7 s VAL 30 CO 0.26 0.42 0.33 -0.69 -0.31 0.00 0.00 175.10 175.11 2wd7 s VAL 31 N -0.17 5.19 -0.76 1.32 1.01 0.18 -1.72 120.40 125.45 2wd7 s VAL 31 Ca 0.01 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.90 2wd7 s VAL 31 Cb -0.10 -3.77 0.12 0.00 0.00 0.00 0.00 36.38 32.64 2wd7 s VAL 31 CO 0.01 -0.02 0.93 -0.63 0.00 0.00 0.00 175.10 175.39 2wd7 s ILE 32 N 1.97 4.77 0.33 2.22 1.01 0.14 -1.94 121.20 129.71 2wd7 s ILE 32 Ca 0.11 -1.26 -0.27 0.00 0.00 0.00 0.00 60.65 59.24 2wd7 s ILE 32 Cb -0.16 -4.64 -0.09 0.00 0.01 0.00 0.00 42.46 37.57 2wd7 s ILE 32 CO 0.11 -1.33 1.04 -2.28 0.00 0.00 0.00 174.94 172.48 2wd7 s HIS 33 N 2.68 3.50 0.25 3.97 5.65 -0.61 -1.39 115.29 129.34 2wd7 s HIS 33 Ca 0.23 1.71 -0.11 0.00 0.25 0.00 0.00 55.06 57.13 2wd7 s HIS 33 Cb -0.14 -3.13 -0.01 0.00 -1.18 0.00 0.00 32.58 28.12 2wd7 s HIS 33 CO -0.01 -0.37 0.45 1.52 -0.65 0.00 0.00 174.74 175.68 2wd7 s TYR 34 N -1.45 0.46 0.00 3.88 -0.85 -0.45 -1.12 117.35 117.82 2wd7 s TYR 34 Ca 0.51 -0.80 0.00 0.00 -0.52 0.00 0.00 57.07 56.25 2wd7 s TYR 34 Cb -0.25 0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.21 2wd7 s TYR 34 CO 0.32 -0.97 0.00 1.58 -1.52 0.00 0.00 175.55 174.96 2wd7 n HIS 35 N -0.38 0.00 0.01 -3.49 -0.00 -1.26 -1.58 115.22 108.52 2wd7 n HIS 35 Ca -0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.75 2wd7 n HIS 35 Cb 0.62 0.00 -0.11 0.00 -0.00 0.00 0.00 29.99 30.50 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 -2.09 0.38 -3.56 0.26 3.02 -1.26 -4.75 115.26 107.26 2wd7 n ASN 36 Ca 0.00 0.16 -0.41 0.00 -0.03 0.00 0.00 54.58 54.30 2wd7 n ASN 36 Cb 0.00 1.05 -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 -2.59 6.86 -0.12 6.41 7.64 -1.26 -4.73 113.62 125.83 2wd7 n SER 37 Ca -0.10 -2.93 -0.10 0.00 1.01 0.00 0.00 58.87 56.75 2wd7 n SER 37 Cb 0.75 -1.49 -0.02 0.00 -1.01 0.00 0.00 64.21 62.43 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 5.21 0.47 -0.43 -0.43 0.00 -1.97 -1.40 119.26 120.71 2wd7 h ALA 38 Ca 0.66 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.28 2wd7 h ALA 38 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2wd7 h ALA 38 CO 1.67 0.14 -0.14 1.49 0.00 0.00 0.00 179.25 182.41 2wd7 h GLU 39 N 0.42 0.84 -0.26 0.00 4.81 -2.00 -1.92 114.58 116.48 2wd7 h GLU 39 Ca 0.11 -0.34 -0.16 0.00 -0.13 0.00 0.00 59.36 58.84 2wd7 h GLU 39 Cb 0.30 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2wd7 h GLU 39 CO 0.00 0.97 -0.48 0.00 -0.73 0.00 0.00 179.01 178.78 2wd7 h ALA 40 N 0.85 0.66 -0.31 2.92 0.00 -1.87 -0.78 119.26 120.73 2wd7 h ALA 40 Ca 0.10 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2wd7 h ALA 40 Cb 0.68 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2wd7 h ALA 40 CO 0.05 0.67 0.12 0.00 0.00 0.00 0.00 179.25 180.09 2wd7 h ALA 41 N 0.91 0.40 -0.29 0.00 0.00 -1.18 -1.40 119.26 117.70 2wd7 h ALA 41 Ca 0.03 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 2wd7 h ALA 41 Cb 1.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2wd7 h ALA 41 CO 0.10 0.01 -0.44 0.28 0.00 0.00 0.00 179.25 179.20 2wd7 h VAL 42 N 0.35 1.29 -0.29 0.00 2.07 -1.32 -1.69 116.25 116.65 2wd7 h VAL 42 Ca 0.10 -1.62 0.05 0.00 0.82 0.00 0.00 66.70 66.05 2wd7 h VAL 42 Cb 0.19 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 2wd7 h VAL 42 CO -0.01 0.52 0.01 -1.28 0.02 0.00 0.00 177.57 176.84 2wd7 h SER 43 N 0.60 -0.10 0.01 0.57 0.87 -1.06 -0.48 113.55 113.96 2wd7 h SER 43 Ca 0.04 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2wd7 h SER 43 Cb 0.99 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.06 2wd7 h SER 43 CO 0.09 -0.02 -0.02 0.25 -0.53 0.00 0.00 176.83 176.61 2wd7 h LEU 44 N 0.10 -0.04 -0.83 2.23 5.85 -1.10 -2.10 115.31 119.41 2wd7 h LEU 44 Ca 0.14 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2wd7 h LEU 44 Cb 0.18 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2wd7 h LEU 44 CO -0.23 -0.02 0.53 0.00 -0.34 0.00 0.00 178.44 178.37 2wd7 h ALA 45 N 0.96 1.12 -0.55 1.25 0.00 -1.14 -1.60 119.26 119.29 2wd7 h ALA 45 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2wd7 h ALA 45 Cb 0.04 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 2wd7 h ALA 45 CO -0.01 0.32 0.26 -0.44 0.00 0.00 0.00 179.25 179.38 2wd7 h ASP 46 N 1.00 0.35 -0.75 0.00 3.32 -0.97 -0.12 116.42 119.25 2wd7 h ASP 46 Ca 0.35 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.41 2wd7 h ASP 46 Cb 0.08 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2wd7 h ASP 46 CO -0.14 0.23 0.37 -0.33 -1.72 0.00 0.00 179.24 177.65 2wd7 h GLU 47 N 0.49 1.08 -0.09 3.56 5.08 -0.65 -2.34 114.58 121.72 2wd7 h GLU 47 Ca 0.25 -0.16 -0.24 0.00 -1.00 0.00 0.00 59.36 58.22 2wd7 h GLU 47 Cb 0.20 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.27 2wd7 h GLU 47 CO -0.20 0.84 -0.89 -0.07 -1.00 0.00 0.00 179.01 177.70 2wd7 h LEU 48 N 1.06 0.90 -0.94 1.33 3.38 -1.09 -3.01 115.31 116.94 2wd7 h LEU 48 Ca 0.26 -0.64 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 2wd7 h LEU 48 Cb 0.11 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2wd7 h LEU 48 CO -0.03 1.44 -0.25 0.78 0.09 0.00 0.00 178.44 180.47 2wd7 h ASN 49 N 0.47 0.48 1.11 -0.43 2.35 -1.00 -0.79 115.58 117.77 2wd7 h ASN 49 Ca -0.08 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2wd7 h ASN 49 Cb 1.52 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.76 2wd7 h ASN 49 CO 0.18 0.73 0.00 0.07 -1.65 0.00 0.00 177.43 176.76 2wd7 h LYS 50 N 0.42 0.00 0.01 0.81 2.10 -1.46 -1.62 116.57 116.83 2wd7 h LYS 50 Ca 0.06 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.71 2wd7 h LYS 50 Cb 0.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2wd7 h LYS 50 CO 0.05 0.00 -0.01 1.49 -2.00 0.00 0.00 179.45 178.98 2wd7 h GLU 51 N 0.00 -0.02 -3.53 0.07 4.57 -1.18 -3.45 114.58 111.04 2wd7 h GLU 51 Ca 0.00 0.00 -0.36 0.00 -1.18 0.00 0.00 59.36 57.82 2wd7 h GLU 51 Cb 0.55 0.00 -0.36 0.00 -0.16 0.00 0.00 28.75 28.78 2wd7 h GLU 51 CO 0.00 0.77 -0.74 1.03 -1.18 0.00 0.00 179.01 178.89 2wd7 s ARG 52 N -2.58 0.15 0.37 1.92 0.52 -0.39 -5.12 118.95 113.83 2wd7 s ARG 52 Ca -0.16 0.21 -0.28 0.00 -0.52 0.00 0.00 55.73 54.98 2wd7 s ARG 52 Cb -0.02 -0.53 -0.11 0.00 0.52 0.00 0.00 34.95 34.81 2wd7 s ARG 52 CO 0.61 -0.24 1.46 -1.13 0.02 0.00 0.00 175.30 176.03 2wd7 n SER 53 N 4.72 3.65 -2.32 0.23 3.41 -0.62 -3.31 113.62 119.39 2wd7 n SER 53 Ca -0.15 1.23 -0.18 0.00 -0.26 0.00 0.00 58.87 59.50 2wd7 n SER 53 Cb 0.50 -1.60 0.01 0.00 -0.26 0.00 0.00 64.21 62.86 2wd7 n SER 53 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2wd7 n ASN 54 N 0.49 -5.29 -0.19 4.04 3.02 -1.26 -4.92 115.26 111.16 2wd7 n ASN 54 Ca 0.02 -0.15 0.04 0.00 -0.03 0.00 0.00 54.58 54.46 2wd7 n ASN 54 Cb 0.38 -4.23 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 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 -4.19 0.00 -3.97 3.41 -2.24 -1.21 -5.01 114.28 101.07 2wd7 n THR 55 Ca -0.14 -0.43 -0.15 0.00 -2.27 0.00 0.00 64.05 61.05 2wd7 n THR 55 Cb 0.63 1.10 -0.15 0.00 -2.10 0.00 0.00 70.33 69.80 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 -1.10 0.27 0.14 6.98 0.00 -1.26 -1.25 121.76 125.53 2wd7 s ALA 56 Ca 0.07 0.04 0.06 0.00 0.00 0.00 0.00 51.96 52.13 2wd7 s ALA 56 Cb 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 2wd7 s ALA 56 CO 0.18 -0.01 -0.14 0.14 0.00 0.00 0.00 175.76 175.93 2wd7 s VAL 57 N 0.51 1.41 0.15 0.00 -7.23 -0.70 -4.91 120.40 109.63 2wd7 s VAL 57 Ca -0.05 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.30 2wd7 s VAL 57 Cb -0.08 -1.65 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2wd7 s VAL 57 CO -0.01 -0.46 0.31 0.68 -0.31 0.00 0.00 175.10 175.31 2wd7 s VAL 58 N -2.33 5.29 -0.17 1.32 -7.23 -1.26 0.28 120.40 116.30 2wd7 s VAL 58 Ca 0.12 -0.49 -0.04 0.00 -1.81 0.00 0.00 61.98 59.76 2wd7 s VAL 58 Cb -0.04 -3.71 0.08 0.00 0.56 0.00 0.00 36.38 33.27 2wd7 s VAL 58 CO 0.04 -0.07 0.25 0.00 -0.31 0.00 0.00 175.10 175.01 2wd7 s GLN 60 N 2.39 4.29 -0.27 0.00 -0.44 -1.26 -1.34 119.66 123.03 2wd7 s GLN 60 Ca 0.05 0.70 -0.24 0.00 -2.50 0.00 0.00 55.36 53.37 2wd7 s GLN 60 Cb -0.14 -3.34 0.08 0.00 -1.64 0.00 0.00 33.01 27.97 2wd7 s GLN 60 CO -0.10 0.38 0.76 0.00 0.50 0.00 0.00 175.29 176.83 2wd7 s ALA 61 N -0.21 -1.82 0.01 1.58 0.00 -0.61 -4.95 121.76 115.76 2wd7 s ALA 61 Ca 0.30 2.04 -0.30 0.00 0.00 0.00 0.00 51.96 54.00 2wd7 s ALA 61 Cb -0.18 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2wd7 s ALA 61 CO 0.17 -0.33 1.08 0.34 0.00 0.00 0.00 175.76 177.02 2wd7 s ASP 62 N 0.44 7.23 -0.03 0.00 2.15 -1.26 -4.27 116.67 120.94 2wd7 s ASP 62 Ca -0.00 1.79 0.17 0.00 0.43 0.00 0.00 52.55 54.94 2wd7 s ASP 62 Cb -0.05 -2.57 0.52 0.00 -0.30 0.00 0.00 42.92 40.52 2wd7 s ASP 62 CO -0.01 -0.37 1.44 0.18 -0.17 0.00 0.00 175.17 176.23 2wd7 n LEU 63 N 4.09 3.68 -4.70 -1.34 4.77 -1.26 -4.95 117.00 117.29 2wd7 n LEU 63 Ca 0.08 -2.12 -0.42 0.00 -0.03 0.00 0.00 56.01 53.51 2wd7 n LEU 63 Cb 0.49 -0.41 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2wd7 n LEU 63 CO 0.53 0.85 0.91 0.41 -1.33 0.00 0.00 177.39 178.76 2wd7 n THR 64 N 1.01 2.08 -1.80 -5.08 -1.04 -1.26 -3.22 114.28 104.97 2wd7 n THR 64 Ca 0.20 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.29 2wd7 n THR 64 Cb 0.60 -1.59 -0.02 0.00 -1.82 0.00 0.00 70.33 67.50 2wd7 n THR 64 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2wd7 s ASN 65 N -0.33 6.43 0.31 8.00 2.47 -0.38 -4.71 114.94 126.73 2wd7 s ASN 65 Ca 0.56 2.84 -0.19 0.00 0.42 0.00 0.00 52.86 56.49 2wd7 s ASN 65 Cb -0.55 -2.61 0.06 0.00 -1.45 0.00 0.00 41.25 36.69 2wd7 s ASN 65 CO 0.62 -0.91 0.85 -0.94 -3.72 0.00 0.00 177.10 173.00 2wd7 s SER 66 N 0.87 -0.05 0.54 -4.21 1.04 -1.26 -4.86 113.70 105.76 2wd7 s SER 66 Ca 0.69 -0.91 0.36 0.00 0.48 0.00 0.00 55.95 56.57 2wd7 s SER 66 Cb -0.47 0.73 1.78 0.00 0.10 0.00 0.00 66.02 68.15 2wd7 s SER 66 CO 0.38 -1.42 2.08 0.78 0.98 0.00 0.00 173.24 176.04 2wd7 h ASN 67 N 2.00 0.00 0.24 7.02 2.35 -2.06 -2.76 115.58 122.37 2wd7 h ASN 67 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2wd7 h ASN 67 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2wd7 h ASN 67 CO 0.36 0.00 -0.83 0.55 -1.65 0.00 0.00 177.43 175.85 2wd7 n VAL 68 N -2.87 0.02 -0.22 2.81 3.14 -1.26 -4.47 118.33 115.48 2wd7 n VAL 68 Ca -0.01 -0.04 0.03 0.00 -2.96 0.00 0.00 64.34 61.36 2wd7 n VAL 68 Cb 0.15 0.61 0.13 0.00 -1.06 0.00 0.00 33.84 33.67 2wd7 n VAL 68 CO 0.00 0.00 0.00 0.25 -6.46 0.00 0.00 176.83 170.62 2wd7 h LEU 69 N 0.00 -0.15 -0.85 6.55 5.85 -1.77 -1.12 115.31 123.83 2wd7 h LEU 69 Ca 0.00 0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.98 2wd7 h LEU 69 Cb 0.54 0.24 -0.08 0.00 0.37 0.00 0.00 40.66 41.72 2wd7 h LEU 69 CO 0.00 -0.08 0.48 -0.65 -0.34 0.00 0.00 178.44 177.85 2wd7 h PRO 70 N 0.18 0.74 -0.29 5.25 0.11 -1.79 -1.22 132.00 134.98 2wd7 h PRO 70 Ca 0.36 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 2wd7 h PRO 70 Cb 0.59 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2wd7 h PRO 70 CO -0.52 0.49 0.13 0.00 -0.21 0.00 0.00 178.00 177.89 2wd7 h ALA 71 N 1.49 0.38 -0.68 -0.75 0.00 -1.58 -1.87 119.26 116.24 2wd7 h ALA 71 Ca 0.42 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.29 2wd7 h ALA 71 Cb 0.45 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 2wd7 h ALA 71 CO -0.28 -0.04 0.38 0.77 0.00 0.00 0.00 179.25 180.08 2wd7 h SER 72 N 0.33 0.55 -0.34 0.00 0.02 -0.87 -0.65 113.55 112.59 2wd7 h SER 72 Ca 0.10 0.03 -0.17 0.00 -0.84 0.00 0.00 61.79 60.92 2wd7 h SER 72 Cb 0.15 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 2wd7 h SER 72 CO -0.01 0.35 -0.44 0.00 -1.14 0.00 0.00 176.83 175.59 2wd7 h GLU 74 N 0.71 0.76 -0.32 0.00 4.81 -1.16 -2.68 114.58 116.72 2wd7 h GLU 74 Ca 0.04 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 2wd7 h GLU 74 Cb 1.04 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2wd7 h GLU 74 CO 0.10 0.50 -0.26 1.49 -0.73 0.00 0.00 179.01 180.12 2wd7 h GLU 75 N 0.78 0.64 -0.69 1.92 4.57 -0.88 -1.09 114.58 119.83 2wd7 h GLU 75 Ca 0.36 -0.26 0.03 0.00 -1.18 0.00 0.00 59.36 58.31 2wd7 h GLU 75 Cb 0.27 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 2wd7 h GLU 75 CO -0.21 0.84 0.43 0.82 -1.18 0.00 0.00 179.01 179.71 2wd7 h ILE 76 N 0.55 1.10 -0.24 2.32 2.04 -1.01 0.02 117.51 122.29 2wd7 h ILE 76 Ca 0.07 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 2wd7 h ILE 76 Cb 0.74 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 2wd7 h ILE 76 CO 0.06 0.15 -0.12 0.40 0.00 0.00 0.00 178.15 178.64 2wd7 h ILE 77 N 0.85 1.30 -0.86 -0.67 1.08 -1.37 -3.01 117.51 114.84 2wd7 h ILE 77 Ca 0.27 -1.20 0.13 0.00 -0.39 0.00 0.00 64.86 63.67 2wd7 h ILE 77 Cb 0.01 1.58 -0.06 0.00 -3.07 0.00 0.00 36.82 35.27 2wd7 h ILE 77 CO -0.10 0.37 0.56 0.78 -0.69 0.00 0.00 178.15 179.07 2wd7 h ASN 78 N 0.22 0.66 -0.06 1.72 2.35 -0.90 -1.31 115.58 118.26 2wd7 h ASN 78 Ca 0.05 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 2wd7 h ASN 78 Cb 0.62 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2wd7 h ASN 78 CO 0.04 0.36 -0.05 0.28 -1.65 0.00 0.00 177.43 176.40 2wd7 h SER 79 N 0.71 0.26 -0.15 5.81 0.02 -0.86 0.10 113.55 119.45 2wd7 h SER 79 Ca 0.42 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.27 2wd7 h SER 79 Cb 0.61 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 2wd7 h SER 79 CO -0.18 0.36 -0.13 0.00 -1.14 0.00 0.00 176.83 175.74 2wd7 h PHE 81 N -0.01 0.94 -0.40 0.00 -1.00 -1.17 0.87 116.94 116.17 2wd7 h PHE 81 Ca 0.03 -0.05 -0.05 0.00 2.81 0.00 0.00 57.97 60.71 2wd7 h PHE 81 Cb 0.65 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 2wd7 h PHE 81 CO 0.08 0.71 0.07 -0.09 -1.61 0.00 0.00 178.31 177.48 2wd7 h ARG 82 N 0.92 0.66 0.01 1.51 2.43 -0.76 -1.16 114.38 117.99 2wd7 h ARG 82 Ca 0.22 -0.17 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 2wd7 h ARG 82 Cb 0.16 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2wd7 h ARG 82 CO -0.02 0.70 -0.63 0.00 -1.51 0.00 0.00 179.97 178.51 2wd7 h ALA 83 N 0.93 0.07 0.00 2.80 0.00 -1.12 -3.42 119.26 118.52 2wd7 h ALA 83 Ca 0.12 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2wd7 h ALA 83 Cb 0.36 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2wd7 h ALA 83 CO 0.01 0.36 0.00 1.19 0.00 0.00 0.00 179.25 180.81 2wd7 n PHE 84 N -4.20 0.00 -0.80 0.00 0.99 0.29 -5.02 117.46 108.72 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 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.17 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 0.85 0.73 3.60 1.37 0.00 -0.44 -4.96 105.19 106.35 2wd7 n GLY 85 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.20 1.01 -0.26 1.61 1.70 -1.26 -4.95 118.95 116.60 2wd7 s ARG 86 Ca 0.00 -0.47 -0.01 0.00 -0.47 0.00 0.00 55.73 54.78 2wd7 s ARG 86 Cb 0.00 0.41 0.13 0.00 -0.57 0.00 0.00 34.95 34.92 2wd7 s ARG 86 CO 0.00 -0.45 0.32 0.00 -1.08 0.00 0.00 175.30 174.09 2wd7 n ASP 88 N 5.33 1.20 -3.96 0.00 9.92 0.50 -4.96 116.55 124.58 2wd7 n ASP 88 Ca -0.03 0.24 -0.17 0.00 -0.53 0.00 0.00 54.79 54.30 2wd7 n ASP 88 Cb 0.48 -0.15 -0.15 0.00 -0.64 0.00 0.00 41.12 40.66 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 -2.56 0.48 -0.10 2.53 1.01 -0.94 -1.93 120.40 118.90 2wd7 s VAL 89 Ca -0.13 -0.24 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2wd7 s VAL 89 Cb 0.07 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 36.04 2wd7 s VAL 89 CO 0.79 0.14 -0.17 -0.22 0.00 0.00 0.00 175.10 175.65 2wd7 s LEU 90 N -0.03 1.80 -0.23 3.92 2.96 -0.91 -0.86 118.68 125.32 2wd7 s LEU 90 Ca 0.01 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.48 2wd7 s LEU 90 Cb -0.04 -1.11 0.02 0.00 0.50 0.00 0.00 46.19 45.57 2wd7 s LEU 90 CO -0.00 0.05 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.30 2wd7 s VAL 91 N 0.78 2.74 -0.86 1.68 1.01 0.22 -1.05 120.40 124.93 2wd7 s VAL 91 Ca -0.11 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.70 2wd7 s VAL 91 Cb -0.16 -2.34 0.11 0.00 0.00 0.00 0.00 36.38 33.99 2wd7 s VAL 91 CO 0.02 0.28 1.09 0.20 0.00 0.00 0.00 175.10 176.69 2wd7 s ASN 92 N 1.33 6.50 -0.13 3.32 0.01 0.51 -2.11 114.94 124.37 2wd7 s ASN 92 Ca 0.01 -1.74 0.02 0.00 -0.71 0.00 0.00 52.86 50.44 2wd7 s ASN 92 Cb -0.16 -2.41 -0.09 0.00 0.41 0.00 0.00 41.25 39.00 2wd7 s ASN 92 CO -0.06 -1.18 -0.10 -3.20 -1.51 0.00 0.00 177.10 171.05 2wd7 n ASN 93 N 6.94 2.91 -4.66 -1.22 5.15 -1.25 -1.13 115.26 122.00 2wd7 n ASN 93 Ca 0.17 -0.06 -0.43 0.00 -0.60 0.00 0.00 54.58 53.65 2wd7 n ASN 93 Cb 0.48 -0.10 -0.01 0.00 -0.53 0.00 0.00 39.78 39.63 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 -2.83 0.77 -3.59 5.20 0.00 -1.12 -4.89 120.51 114.05 2wd7 n ALA 94 Ca -0.23 0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.57 2wd7 n ALA 94 Cb 0.76 -2.18 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 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 -0.37 -0.85 0.21 0.00 0.15 -1.26 -4.48 113.70 107.10 2wd7 s SER 95 Ca 0.57 1.24 -0.26 0.00 0.70 0.00 0.00 55.95 58.20 2wd7 s SER 95 Cb -0.62 1.73 -0.09 0.00 -1.71 0.00 0.00 66.02 65.33 2wd7 s SER 95 CO 0.61 -0.18 0.84 0.00 1.20 0.00 0.00 173.24 175.71 2wd7 s ALA 96 N 2.19 3.38 -0.23 5.45 0.00 -1.26 -5.05 121.76 126.24 2wd7 s ALA 96 Ca -0.07 0.44 -0.03 0.00 0.00 0.00 0.00 51.96 52.31 2wd7 s ALA 96 Cb -0.07 -3.05 0.11 0.00 0.00 0.00 0.00 23.12 20.11 2wd7 s ALA 96 CO -0.18 0.26 0.28 0.12 0.00 0.00 0.00 175.76 176.23 2wd7 s PHE 97 N -1.25 -0.45 0.08 0.00 2.19 -1.26 -4.84 117.98 112.45 2wd7 s PHE 97 Ca 0.40 0.26 -0.26 0.00 0.33 0.00 0.00 56.93 57.66 2wd7 s PHE 97 Cb -0.23 -0.30 0.09 0.00 -1.31 0.00 0.00 43.02 41.27 2wd7 s PHE 97 CO 0.27 -0.71 0.75 1.52 1.83 0.00 0.00 175.22 178.89 2wd7 s TYR 98 N 2.39 -0.43 0.48 10.12 -0.85 -1.26 -5.16 117.35 122.64 2wd7 s TYR 98 Ca 0.09 0.25 -0.22 0.00 -0.52 0.00 0.00 57.07 56.67 2wd7 s TYR 98 Cb -0.15 0.55 -0.07 0.00 0.38 0.00 0.00 41.96 42.67 2wd7 s TYR 98 CO -0.18 -0.70 1.14 -1.25 -1.52 0.00 0.00 175.55 173.04 2wd7 s PRO 99 N -3.42 3.65 -0.45 -3.49 0.04 -1.26 -4.69 135.00 125.38 2wd7 s PRO 99 Ca 0.03 1.69 0.05 0.00 0.04 0.00 0.00 61.00 62.81 2wd7 s PRO 99 Cb -0.01 -2.27 0.18 0.00 0.04 0.00 0.00 34.50 32.44 2wd7 s PRO 99 CO -0.10 -0.62 0.40 0.25 0.04 0.00 0.00 177.00 176.96 2wd7 n THR 100 N -0.75 -0.69 -1.63 1.26 -2.24 0.11 -4.99 114.28 105.34 2wd7 n THR 100 Ca 0.09 -3.74 -0.44 0.00 -2.27 0.00 0.00 64.05 57.68 2wd7 n THR 100 Cb 0.49 -1.77 -0.02 0.00 -2.10 0.00 0.00 70.33 66.93 2wd7 n THR 100 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2wd7 n PRO 101 N 2.47 1.67 0.13 -0.78 -0.02 -1.22 -4.35 135.00 132.91 2wd7 n PRO 101 Ca 0.27 0.59 -0.01 0.00 -2.02 0.00 0.00 63.50 62.33 2wd7 n PRO 101 Cb 0.47 -2.09 0.17 0.00 -0.02 0.00 0.00 33.50 32.03 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 2.71 0.01 -5.84 2.45 3.38 -2.01 -3.51 115.31 112.50 2wd7 h LEU 102 Ca -0.43 -0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.98 2wd7 h LEU 102 Cb 1.31 -0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.65 2wd7 h LEU 102 CO 0.65 0.63 -0.85 0.52 0.09 0.00 0.00 178.44 179.48 2wd7 n VAL 103 N -3.80 1.39 -0.22 1.22 0.31 -1.26 -5.26 118.33 110.71 2wd7 n VAL 103 Ca -0.01 -4.94 0.00 0.00 -0.01 0.00 0.00 64.34 59.37 2wd7 n VAL 103 Cb 0.62 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 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 0.51 -1.72 3.78 2.92 0.00 -1.26 -5.20 105.19 104.22 2wd7 n GLY 113 Ca 0.27 -2.02 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 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 0.00 4.26 0.82 1.61 1.02 -1.26 -5.04 119.74 121.15 2wd7 s LYS 114 Ca 0.00 1.54 -0.12 0.00 0.02 0.00 0.00 55.97 57.41 2wd7 s LYS 114 Cb 0.00 -2.65 0.09 0.00 -0.52 0.00 0.00 37.83 34.75 2wd7 s LYS 114 CO 0.00 -0.06 1.16 0.95 -0.92 0.00 0.00 175.35 176.48 2wd7 s THR 115 N -1.59 2.35 0.30 2.17 -4.23 -1.26 -4.87 115.64 108.52 2wd7 s THR 115 Ca 0.55 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 61.23 2wd7 s THR 115 Cb -0.23 -2.45 0.11 0.00 1.34 0.00 0.00 72.50 71.27 2wd7 s THR 115 CO 0.29 -0.13 1.79 1.62 -0.54 0.00 0.00 174.62 177.65 2wd7 h VAL 116 N -1.12 1.23 -0.65 2.29 3.04 -1.99 -2.08 116.25 116.97 2wd7 h VAL 116 Ca -0.45 -1.05 0.08 0.00 -1.01 0.00 0.00 66.70 64.27 2wd7 h VAL 116 Cb 1.27 1.16 -0.07 0.00 -2.01 0.00 0.00 31.29 31.65 2wd7 h VAL 116 CO 0.46 0.34 0.30 -0.08 -1.01 0.00 0.00 177.57 177.59 2wd7 h GLU 117 N 0.46 0.52 -0.39 4.17 4.81 -1.99 -0.63 114.58 121.53 2wd7 h GLU 117 Ca 0.08 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2wd7 h GLU 117 Cb 0.52 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 2wd7 h GLU 117 CO 0.03 0.35 0.12 1.15 -0.73 0.00 0.00 179.01 179.93 2wd7 h THR 118 N 0.54 1.21 -0.45 0.32 2.02 -1.78 -1.37 112.91 113.40 2wd7 h THR 118 Ca 0.31 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 2wd7 h THR 118 Cb 0.32 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2wd7 h THR 118 CO -0.25 0.24 0.27 1.56 0.37 0.00 0.00 175.52 177.71 2wd7 h GLN 119 N 0.48 0.61 0.06 6.66 4.20 -0.94 0.02 115.11 126.20 2wd7 h GLN 119 Ca 0.13 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.80 2wd7 h GLN 119 Cb 0.25 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 2wd7 h GLN 119 CO -0.00 0.44 -0.22 0.28 -0.67 0.00 0.00 178.83 178.65 2wd7 h VAL 120 N 0.60 0.49 -0.51 -0.54 2.07 -1.07 0.40 116.25 117.69 2wd7 h VAL 120 Ca 0.16 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.78 2wd7 h VAL 120 Cb -0.01 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 30.17 2wd7 h VAL 120 CO -0.03 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.59 2wd7 h ALA 121 N 0.43 0.51 -0.01 1.67 0.00 -0.97 0.09 119.26 120.97 2wd7 h ALA 121 Ca 0.04 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2wd7 h ALA 121 Cb 0.44 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2wd7 h ALA 121 CO -0.16 -0.37 -0.14 0.93 0.00 0.00 0.00 179.25 179.51 2wd7 h GLU 122 N 0.15 0.11 -0.26 0.00 5.08 -0.91 -0.23 114.58 118.52 2wd7 h GLU 122 Ca 0.26 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 2wd7 h GLU 122 Cb 0.38 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2wd7 h GLU 122 CO -0.40 0.82 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.95 2wd7 h LEU 123 N -0.55 0.81 0.16 1.33 3.38 -0.87 -1.86 115.31 117.71 2wd7 h LEU 123 Ca -0.01 -0.52 -0.31 0.00 0.09 0.00 0.00 57.88 57.13 2wd7 h LEU 123 Cb 0.86 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.39 2wd7 h LEU 123 CO 0.03 1.17 -1.45 0.40 0.09 0.00 0.00 178.44 178.68 2wd7 h ILE 124 N 0.47 1.27 0.34 1.22 1.08 -1.13 -3.10 117.51 117.66 2wd7 h ILE 124 Ca 0.02 -2.83 -0.01 0.00 -0.39 0.00 0.00 64.86 61.65 2wd7 h ILE 124 Cb 1.00 2.89 -0.01 0.00 -3.07 0.00 0.00 36.82 37.63 2wd7 h ILE 124 CO 0.09 0.85 -0.25 1.23 -0.69 0.00 0.00 178.15 179.38 2wd7 h GLY 125 N 1.17 -0.61 1.00 5.37 0.00 -1.15 -0.28 103.07 108.57 2wd7 h GLY 125 Ca -0.22 0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 2wd7 h GLY 125 CO 0.21 -0.24 -0.33 -0.91 0.00 0.00 0.00 176.54 175.27 2wd7 h THR 126 N -0.58 1.30 0.00 4.70 1.35 -1.30 0.20 112.91 118.58 2wd7 h THR 126 Ca -0.03 -1.51 -0.04 0.00 -0.55 0.00 0.00 66.41 64.28 2wd7 h THR 126 Cb 0.50 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 2wd7 h THR 126 CO 0.00 0.49 -0.68 0.78 -0.25 0.00 0.00 175.52 175.85 2wd7 h ASN 127 N 0.48 0.00 0.00 5.36 2.35 -1.62 -3.40 115.58 118.75 2wd7 h ASN 127 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2wd7 h ASN 127 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.28 2wd7 h ASN 127 CO 0.08 0.14 -0.12 0.00 -1.65 0.00 0.00 177.43 175.88 2wd7 n ALA 128 N -2.19 3.00 0.04 -0.83 0.00 -0.71 -4.44 120.51 115.37 2wd7 n ALA 128 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2wd7 n ALA 128 Cb 0.61 0.11 -0.09 0.00 0.00 0.00 0.00 19.45 20.08 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 1.15 -0.02 0.00 1.08 -0.89 -2.00 117.51 116.83 2wd7 h ILE 129 Ca 0.00 -0.74 0.02 0.00 -0.39 0.00 0.00 64.86 63.75 2wd7 h ILE 129 Cb 0.12 1.63 -0.03 0.00 -3.07 0.00 0.00 36.82 35.47 2wd7 h ILE 129 CO 0.00 0.18 -0.14 0.00 -0.69 0.00 0.00 178.15 177.50 2wd7 h ALA 130 N 0.48 -0.15 -0.99 1.87 0.00 -0.85 0.83 119.26 120.45 2wd7 h ALA 130 Ca -0.01 0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.13 2wd7 h ALA 130 Cb 0.37 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 2wd7 h ALA 130 CO 0.01 -0.63 0.59 -1.35 0.00 0.00 0.00 179.25 177.87 2wd7 h PRO 131 N -0.23 0.62 -0.09 0.00 0.11 -1.77 0.53 132.00 131.17 2wd7 h PRO 131 Ca 0.05 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2wd7 h PRO 131 Cb 0.30 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 2wd7 h PRO 131 CO -0.15 0.41 0.01 0.35 -0.21 0.00 0.00 178.00 178.42 2wd7 h PHE 132 N 0.64 0.15 -0.58 0.65 3.57 -0.54 0.03 116.94 120.86 2wd7 h PHE 132 Ca 0.61 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 62.03 2wd7 h PHE 132 Cb 1.08 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 2wd7 h PHE 132 CO -0.01 0.35 0.12 -0.07 -2.23 0.00 0.00 178.31 176.46 2wd7 h LEU 133 N -0.09 0.91 -1.17 0.59 3.38 0.02 -1.14 115.31 117.80 2wd7 h LEU 133 Ca 0.03 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 2wd7 h LEU 133 Cb 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2wd7 h LEU 133 CO 0.00 0.92 0.04 -0.07 0.09 0.00 0.00 178.44 179.43 2wd7 h LEU 134 N 0.86 0.58 -0.20 1.67 3.38 0.09 -0.34 115.31 121.34 2wd7 h LEU 134 Ca 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wd7 h LEU 134 Cb 0.39 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2wd7 h LEU 134 CO 0.01 0.62 -0.01 0.74 0.09 0.00 0.00 178.44 179.90 2wd7 h THR 135 N 0.60 1.26 -0.02 0.22 2.02 -0.64 0.22 112.91 116.58 2wd7 h THR 135 Ca 0.13 -0.89 0.03 0.00 0.77 0.00 0.00 66.41 66.45 2wd7 h THR 135 Cb 0.32 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 2wd7 h THR 135 CO 0.01 0.27 -0.18 -0.03 0.37 0.00 0.00 175.52 175.95 2wd7 h MET 136 N 0.11 -0.28 -0.24 6.66 1.85 -0.89 -1.49 114.93 120.65 2wd7 h MET 136 Ca 0.06 0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.16 2wd7 h MET 136 Cb 0.41 0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.49 2wd7 h MET 136 CO 0.01 -0.19 0.15 0.77 -0.40 0.00 0.00 176.91 177.25 2wd7 h SER 137 N -0.29 0.28 -0.46 1.39 0.02 -0.92 -0.57 113.55 113.00 2wd7 h SER 137 Ca 0.06 -0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.04 2wd7 h SER 137 Cb 0.37 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 2wd7 h SER 137 CO -0.18 0.24 0.12 0.15 -1.14 0.00 0.00 176.83 176.01 2wd7 h PHE 138 N 0.30 0.20 -0.34 3.45 3.57 -0.43 -1.82 116.94 121.87 2wd7 h PHE 138 Ca 0.09 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.48 2wd7 h PHE 138 Cb 0.01 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2wd7 h PHE 138 CO -0.05 0.03 -0.31 0.00 -2.23 0.00 0.00 178.31 175.75 2wd7 h ALA 139 N 1.34 0.50 -0.67 2.41 0.00 -1.03 -3.04 119.26 118.78 2wd7 h ALA 139 Ca 0.23 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2wd7 h ALA 139 Cb 0.28 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2wd7 h ALA 139 CO -0.28 0.55 0.25 1.96 0.00 0.00 0.00 179.25 181.73 2wd7 h GLN 140 N 0.61 1.00 0.00 0.00 1.08 -0.79 -1.97 115.11 115.04 2wd7 h GLN 140 Ca 0.06 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 2wd7 h GLN 140 Cb 0.89 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 2wd7 h GLN 140 CO 0.08 0.83 0.00 0.00 -0.95 0.00 0.00 178.83 178.79 2wd7 h ARG 141 N 0.98 0.00 -7.80 1.46 2.47 -1.30 -3.51 114.38 106.68 2wd7 h ARG 141 Ca 0.22 0.00 -0.45 0.00 -1.26 0.00 0.00 59.98 58.50 2wd7 h ARG 141 Cb 0.22 0.00 0.16 0.00 -1.65 0.00 0.00 29.97 28.70 2wd7 h ARG 141 CO -0.02 0.00 0.41 -0.65 0.56 0.00 0.00 179.97 180.28 2wd7 s GLN 142 N -3.62 0.65 0.00 0.04 -1.52 -0.74 -5.06 119.66 109.41 2wd7 s GLN 142 Ca 0.01 -0.37 0.00 0.00 -1.95 0.00 0.00 55.36 53.05 2wd7 s GLN 142 Cb 0.09 -1.84 0.00 0.00 -0.22 0.00 0.00 33.01 31.04 2wd7 s GLN 142 CO 0.48 -2.41 0.00 -1.13 -0.25 0.00 0.00 175.29 171.97 2wd7 n SER 152 N -3.78 0.00 -3.60 5.90 3.41 -1.26 -5.15 113.62 109.14 2wd7 n SER 152 Ca 0.15 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.48 2wd7 n SER 152 Cb 0.59 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.00 2.85 -0.10 4.04 2.47 -1.26 -5.10 114.94 117.84 2wd7 s ASN 153 Ca 0.00 -3.40 -0.22 0.00 0.42 0.00 0.00 52.86 49.66 2wd7 s ASN 153 Cb 0.00 -0.94 -0.04 0.00 -1.45 0.00 0.00 41.25 38.83 2wd7 s ASN 153 CO 0.00 -0.13 0.64 -0.76 -3.72 0.00 0.00 177.10 173.13 2wd7 s LEU 154 N -0.58 4.28 0.17 3.21 1.43 -1.26 -4.80 118.68 121.13 2wd7 s LEU 154 Ca 0.30 1.05 -0.13 0.00 -1.03 0.00 0.00 54.13 54.31 2wd7 s LEU 154 Cb 0.00 -2.97 0.01 0.00 0.03 0.00 0.00 46.19 43.27 2wd7 s LEU 154 CO -0.19 -0.12 0.39 -0.94 0.23 0.00 0.00 176.35 175.73 2wd7 s SER 155 N 0.82 -0.11 -0.05 2.29 1.04 -0.81 -2.08 113.70 114.80 2wd7 s SER 155 Ca 0.34 -0.65 0.05 0.00 0.48 0.00 0.00 55.95 56.17 2wd7 s SER 155 Cb -0.17 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.45 2wd7 s SER 155 CO 0.15 -0.96 -0.20 -0.63 0.98 0.00 0.00 173.24 172.59 2wd7 s ILE 156 N -3.91 1.63 -0.12 -1.02 1.01 0.23 -2.15 121.20 116.86 2wd7 s ILE 156 Ca 0.12 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.96 2wd7 s ILE 156 Cb 0.01 -1.39 0.02 0.00 0.01 0.00 0.00 42.46 41.10 2wd7 s ILE 156 CO -0.03 0.46 -0.16 -0.69 0.00 0.00 0.00 174.94 174.53 2wd7 s VAL 157 N 0.02 1.57 -0.22 2.92 1.01 -0.21 -1.35 120.40 124.13 2wd7 s VAL 157 Ca -0.05 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 2wd7 s VAL 157 Cb -0.13 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2wd7 s VAL 157 CO 0.03 0.46 0.09 0.20 0.00 0.00 0.00 175.10 175.88 2wd7 s ASN 158 N 1.07 5.55 -0.42 3.32 0.01 -0.19 -0.36 114.94 123.91 2wd7 s ASN 158 Ca -0.04 -0.03 -0.29 0.00 -0.71 0.00 0.00 52.86 51.79 2wd7 s ASN 158 Cb -0.15 -1.98 0.02 0.00 0.41 0.00 0.00 41.25 39.55 2wd7 s ASN 158 CO -0.03 0.06 1.23 -0.76 -1.51 0.00 0.00 177.10 176.08 2wd7 s LEU 159 N 1.07 3.68 0.00 0.60 2.01 -0.28 -1.90 118.68 123.86 2wd7 s LEU 159 Ca 0.05 0.71 0.00 0.00 0.01 0.00 0.00 54.13 54.90 2wd7 s LEU 159 Cb -0.14 -3.55 0.00 0.00 0.01 0.00 0.00 46.19 42.51 2wd7 s LEU 159 CO 0.04 -1.25 0.00 0.00 1.01 0.00 0.00 176.35 176.14 2wd7 s ASP 161 N -0.73 -0.54 0.44 0.00 -1.08 -1.26 -4.37 116.67 109.14 2wd7 s ASP 161 Ca 0.00 1.10 0.30 0.00 -0.52 0.00 0.00 52.55 53.43 2wd7 s ASP 161 Cb 0.00 1.30 1.15 0.00 -1.46 0.00 0.00 42.92 43.92 2wd7 s ASP 161 CO 0.00 -0.22 1.87 0.00 0.52 0.00 0.00 175.17 177.34 2wd7 h ALA 162 N 7.69 1.00 -0.46 3.66 0.00 -1.19 -3.01 119.26 126.94 2wd7 h ALA 162 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 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 0.18 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.10 2wd7 n MET 163 N -2.81 3.95 0.29 0.00 2.81 -1.26 -4.60 117.12 115.49 2wd7 n MET 163 Ca 0.02 -2.45 0.13 0.00 -1.81 0.00 0.00 57.70 53.59 2wd7 n MET 163 Cb 0.31 -2.06 0.84 0.00 -0.71 0.00 0.00 33.22 31.60 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 3.16 0.66 -0.02 2.03 -1.51 -1.94 -1.07 116.25 117.56 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 1.60 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 2wd7 h VAL 164 CO 0.36 0.00 -0.25 0.47 -1.23 0.00 0.00 177.57 176.93 2wd7 n ASP 165 N -4.03 2.48 -3.19 4.19 8.00 -1.26 -4.36 116.55 118.38 2wd7 n ASP 165 Ca -0.03 -1.74 -0.23 0.00 0.71 0.00 0.00 54.79 53.50 2wd7 n ASP 165 Cb 0.09 0.25 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 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 0.62 1.63 -1.35 -1.24 6.02 -0.42 -5.12 117.38 117.51 2wd7 n GLN 166 Ca 0.11 -3.87 -0.31 0.00 -0.01 0.00 0.00 57.00 52.92 2wd7 n GLN 166 Cb 0.53 -1.76 0.08 0.00 1.02 0.00 0.00 30.24 30.11 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 -2.23 2.40 0.26 -1.09 0.04 -1.11 -4.88 135.00 128.39 2wd7 s PRO 167 Ca 0.40 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.31 2wd7 s PRO 167 Cb 0.24 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.76 2wd7 s PRO 167 CO -0.09 -1.54 1.45 0.00 0.04 0.00 0.00 177.00 176.87 2wd7 n MET 169 N 2.27 2.16 -1.26 0.00 1.56 -1.26 -2.66 117.12 117.92 2wd7 n MET 169 Ca 0.07 0.77 -0.09 0.00 -0.27 0.00 0.00 57.70 58.18 2wd7 n MET 169 Cb 0.40 -2.49 -0.04 0.00 2.15 0.00 0.00 33.22 33.25 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 2.53 -0.14 -1.66 -5.12 0.00 -1.26 -4.94 120.51 109.92 2wd7 n ALA 170 Ca 0.13 0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.45 2wd7 n ALA 170 Cb 0.31 -1.19 0.06 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.70 2.82 -0.11 0.00 3.01 -1.09 0.05 117.46 119.43 2wd7 n PHE 171 Ca -0.09 -2.51 -0.05 0.00 1.01 0.00 0.00 57.45 55.81 2wd7 n PHE 171 Cb 0.32 -0.84 0.01 0.00 -0.01 0.00 0.00 39.48 38.96 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 1.98 -0.33 -0.33 4.37 0.02 -1.84 -0.83 113.55 116.59 2wd7 h SER 172 Ca 0.46 0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 61.44 2wd7 h SER 172 Cb 1.27 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.03 2wd7 h SER 172 CO 1.09 -0.12 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.45 2wd7 h LEU 173 N 0.01 0.69 -0.26 5.07 3.38 -1.89 0.30 115.31 122.60 2wd7 h LEU 173 Ca 0.18 -0.40 0.04 0.00 0.09 0.00 0.00 57.88 57.79 2wd7 h LEU 173 Cb 0.28 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2wd7 h LEU 173 CO -0.38 0.93 0.03 0.22 0.09 0.00 0.00 178.44 179.33 2wd7 h TYR 174 N 0.44 0.04 -0.68 1.13 3.20 -1.80 -0.73 116.97 118.58 2wd7 h TYR 174 Ca 0.07 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2wd7 h TYR 174 Cb 0.67 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 2wd7 h TYR 174 CO 0.06 -0.01 0.26 -0.97 -1.64 0.00 0.00 178.16 175.86 2wd7 h ASN 175 N 0.12 0.93 -0.58 -2.11 -0.00 -0.84 -0.73 115.58 112.36 2wd7 h ASN 175 Ca 0.12 -0.14 -0.01 0.00 -0.00 0.00 0.00 56.30 56.27 2wd7 h ASN 175 Cb 0.14 -0.24 -0.03 0.00 -0.00 0.00 0.00 38.32 38.19 2wd7 h ASN 175 CO -0.18 0.84 0.34 0.24 -0.00 0.00 0.00 177.43 178.67 2wd7 h MET 176 N 0.99 0.80 -0.52 6.67 2.86 -0.17 -0.94 114.93 124.61 2wd7 h MET 176 Ca 0.23 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 2wd7 h MET 176 Cb 0.21 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 2wd7 h MET 176 CO -0.02 0.58 0.31 0.78 1.06 0.00 0.00 176.91 179.62 2wd7 h GLY 177 N 0.79 0.77 1.47 8.32 0.00 -0.57 -1.24 103.07 112.61 2wd7 h GLY 177 Ca 0.21 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 2wd7 h GLY 177 CO -0.04 0.32 -0.28 0.50 0.00 0.00 0.00 176.54 177.04 2wd7 h LYS 178 N 0.70 0.61 -0.40 4.80 1.79 -0.99 -1.64 116.57 121.44 2wd7 h LYS 178 Ca 0.19 -0.25 -0.02 0.00 -2.18 0.00 0.00 60.65 58.38 2wd7 h LYS 178 Cb 0.01 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 2wd7 h LYS 178 CO -0.03 0.82 0.16 0.45 -1.08 0.00 0.00 179.45 179.76 2wd7 h HIS 179 N 0.52 0.60 -0.98 -1.35 3.86 -1.07 -1.97 115.15 114.76 2wd7 h HIS 179 Ca 0.07 -0.05 0.09 0.00 -1.16 0.00 0.00 60.37 59.33 2wd7 h HIS 179 Cb 0.75 -0.18 -0.08 0.00 1.06 0.00 0.00 27.41 28.96 2wd7 h HIS 179 CO 0.03 0.54 0.62 0.00 0.86 0.00 0.00 177.93 179.98 2wd7 h ALA 180 N 1.00 1.42 -0.59 2.45 0.00 -1.11 -1.43 119.26 121.01 2wd7 h ALA 180 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2wd7 h ALA 180 Cb 0.19 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2wd7 h ALA 180 CO -0.01 0.31 0.09 1.25 0.00 0.00 0.00 179.25 180.89 2wd7 h LEU 181 N 1.05 0.91 -0.23 0.00 5.85 -0.91 0.16 115.31 122.15 2wd7 h LEU 181 Ca 0.46 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 59.00 2wd7 h LEU 181 Cb 0.33 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2wd7 h LEU 181 CO -0.22 0.91 0.08 0.58 -0.34 0.00 0.00 178.44 179.45 2wd7 h VAL 182 N 0.90 0.94 -0.77 1.05 2.07 -0.65 0.20 116.25 119.99 2wd7 h VAL 182 Ca 0.18 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2wd7 h VAL 182 Cb 0.40 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 2wd7 h VAL 182 CO 0.01 0.03 0.49 1.23 0.02 0.00 0.00 177.57 179.35 2wd7 h GLY 183 N 0.18 1.09 0.97 2.17 0.00 -0.68 -1.75 103.07 105.06 2wd7 h GLY 183 Ca 0.10 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2wd7 h GLY 183 CO -0.10 0.42 0.23 -2.00 0.00 0.00 0.00 176.54 175.09 2wd7 h LEU 184 N 1.05 0.52 -0.53 3.11 5.85 -0.51 0.44 115.31 125.24 2wd7 h LEU 184 Ca 0.28 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.01 2wd7 h LEU 184 Cb -0.09 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.73 2wd7 h LEU 184 CO -0.06 0.45 0.08 0.74 -0.34 0.00 0.00 178.44 179.31 2wd7 h THR 185 N 0.54 0.65 0.05 1.05 2.02 -0.57 0.24 112.91 116.91 2wd7 h THR 185 Ca 0.15 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 2wd7 h THR 185 Cb 0.04 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2wd7 h THR 185 CO -0.02 0.04 -0.03 1.56 0.37 0.00 0.00 175.52 177.44 2wd7 h GLN 186 N 0.20 -0.07 -0.33 6.66 4.20 -1.15 -1.13 115.11 123.49 2wd7 h GLN 186 Ca 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 2wd7 h GLN 186 Cb 0.40 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2wd7 h GLN 186 CO -0.38 0.33 0.19 0.77 -0.67 0.00 0.00 178.83 179.06 2wd7 h SER 187 N -0.48 0.40 -0.04 1.46 0.02 -0.77 -2.14 113.55 112.00 2wd7 h SER 187 Ca -0.01 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 60.76 2wd7 h SER 187 Cb 0.43 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2wd7 h SER 187 CO 0.01 0.36 -0.33 0.00 -1.14 0.00 0.00 176.83 175.73 2wd7 h ALA 188 N 1.06 0.97 -0.27 3.77 0.00 -0.57 -1.44 119.26 122.77 2wd7 h ALA 188 Ca 0.12 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2wd7 h ALA 188 Cb 0.04 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2wd7 h ALA 188 CO -0.02 0.61 0.10 0.00 0.00 0.00 0.00 179.25 179.93 2wd7 h ALA 189 N 1.20 0.31 -0.09 0.00 0.00 -1.07 -0.80 119.26 118.81 2wd7 h ALA 189 Ca 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wd7 h ALA 189 Cb 0.79 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 2wd7 h ALA 189 CO 0.06 -0.31 0.05 1.25 0.00 0.00 0.00 179.25 180.31 2wd7 h LEU 190 N 0.22 0.11 -0.18 0.00 7.12 -1.24 -1.89 115.31 119.45 2wd7 h LEU 190 Ca 0.12 -0.07 -0.20 0.00 0.13 0.00 0.00 57.88 57.87 2wd7 h LEU 190 Cb 0.09 -0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.16 2wd7 h LEU 190 CO -0.12 0.15 -0.92 -0.08 -0.13 0.00 0.00 178.44 177.33 2wd7 h GLU 191 N 0.07 0.05 0.00 1.25 4.81 -1.09 -3.32 114.58 116.35 2wd7 h GLU 191 Ca 0.03 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2wd7 h GLU 191 Cb 0.06 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2wd7 h GLU 191 CO -0.01 0.93 -0.84 1.28 -0.73 0.00 0.00 179.01 179.65 2wd7 n LEU 192 N -3.50 0.73 -0.23 1.64 4.77 -0.32 -4.28 117.00 115.81 2wd7 n LEU 192 Ca -0.01 -0.22 0.01 0.00 -0.03 0.00 0.00 56.01 55.75 2wd7 n LEU 192 Cb 0.86 -0.11 0.09 0.00 -2.33 0.00 0.00 43.42 41.93 2wd7 n LEU 192 CO 0.47 0.16 0.76 0.00 -1.33 0.00 0.00 177.39 177.45 2wd7 h ALA 193 N 2.90 0.51 -0.06 -1.18 0.00 -1.37 -0.49 119.26 119.57 2wd7 h ALA 193 Ca 0.00 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.17 2wd7 h ALA 193 Cb 0.55 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2wd7 h ALA 193 CO 0.00 -0.42 0.09 -1.35 0.00 0.00 0.00 179.25 177.57 2wd7 h PRO 194 N 0.03 0.00 -0.04 0.00 0.11 -1.80 0.01 132.00 130.30 2wd7 h PRO 194 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 2wd7 h PRO 194 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 2wd7 h PRO 194 CO -0.66 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.79 2wd7 n TYR 195 N -3.64 0.04 -1.05 0.65 4.02 -0.25 -4.92 117.16 112.02 2wd7 n TYR 195 Ca -0.01 -0.02 -0.02 0.00 -0.01 0.00 0.00 57.90 57.84 2wd7 n TYR 195 Cb 0.18 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.49 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 1.09 0.51 3.63 2.72 0.00 -0.01 -5.01 105.19 108.12 2wd7 n GLY 196 Ca 0.19 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.92 5.22 0.10 -0.61 1.01 -0.86 -4.36 121.20 119.77 2wd7 s ILE 197 Ca 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 60.65 61.04 2wd7 s ILE 197 Cb 0.00 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.75 2wd7 s ILE 197 CO 0.00 0.21 0.45 -0.13 0.00 0.00 0.00 174.94 175.47 2wd7 s ARG 198 N 1.73 3.84 -0.14 2.79 0.52 -0.88 -3.45 118.95 123.36 2wd7 s ARG 198 Ca 0.14 0.29 -0.02 0.00 -0.52 0.00 0.00 55.73 55.62 2wd7 s ARG 198 Cb -0.15 -2.98 0.04 0.00 0.52 0.00 0.00 34.95 32.38 2wd7 s ARG 198 CO 0.09 0.53 0.01 0.08 0.02 0.00 0.00 175.30 176.03 2wd7 s VAL 199 N -1.41 0.54 0.34 3.52 1.01 -1.26 -0.60 120.40 122.53 2wd7 s VAL 199 Ca 0.34 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.10 2wd7 s VAL 199 Cb -0.14 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2wd7 s VAL 199 CO 0.18 0.05 0.17 0.20 0.00 0.00 0.00 175.10 175.70 2wd7 s ASN 200 N 1.88 1.98 0.08 3.32 0.01 -0.46 -0.40 114.94 121.35 2wd7 s ASN 200 Ca 0.02 -1.63 0.02 0.00 -0.71 0.00 0.00 52.86 50.56 2wd7 s ASN 200 Cb -0.15 0.45 -0.04 0.00 0.41 0.00 0.00 41.25 41.92 2wd7 s ASN 200 CO -0.07 -0.93 -0.07 -0.83 -1.51 0.00 0.00 177.10 173.69 2wd7 s GLY 201 N -3.45 0.72 -0.05 0.66 0.00 -0.02 -1.03 107.32 104.15 2wd7 s GLY 201 Ca 0.33 -1.19 0.04 0.00 0.00 0.00 0.00 44.72 43.90 2wd7 s GLY 201 CO 0.18 -1.27 -0.16 0.14 0.00 0.00 0.00 173.10 171.99 2wd7 s VAL 202 N -2.90 1.36 -0.42 1.40 1.01 -0.80 -1.41 120.40 118.63 2wd7 s VAL 202 Ca 0.06 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.41 2wd7 s VAL 202 Cb 0.00 -1.18 0.12 0.00 0.00 0.00 0.00 36.38 35.32 2wd7 s VAL 202 CO -0.03 0.40 0.17 0.00 0.00 0.00 0.00 175.10 175.63 2wd7 s ALA 203 N 0.21 2.85 0.68 5.51 0.00 -0.06 -0.57 121.76 130.38 2wd7 s ALA 203 Ca -0.07 -2.77 -0.15 0.00 0.00 0.00 0.00 51.96 48.96 2wd7 s ALA 203 Cb -0.13 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 21.00 2wd7 s ALA 203 CO 0.03 -1.87 1.15 -2.14 0.00 0.00 0.00 175.76 172.93 2wd7 s PRO 204 N 0.40 2.54 0.00 0.00 0.02 -1.26 -0.56 135.00 136.14 2wd7 s PRO 204 Ca 0.14 1.57 0.00 0.00 0.02 0.00 0.00 61.00 62.73 2wd7 s PRO 204 Cb -0.22 -1.90 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 -0.07 -0.10 3.28 0.52 0.00 -1.18 -0.95 105.19 106.70 2wd7 n GLY 205 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 3.59 0.00 1.61 1.01 -1.26 -4.83 120.40 120.52 2wd7 s VAL 206 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2wd7 s VAL 206 Cb 0.00 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.49 2wd7 s VAL 206 CO 0.00 0.06 0.00 -0.24 0.00 0.00 0.00 175.10 174.92 2wd7 n SER 207 N 4.79 0.00 -4.63 3.32 2.88 -1.26 -1.31 113.62 117.41 2wd7 n SER 207 Ca -0.15 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 56.94 2wd7 n SER 207 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 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 3.45 -4.79 2.46 4.77 -1.23 -4.57 117.00 117.09 2wd7 n LEU 208 Ca 0.00 0.68 -0.32 0.00 -0.03 0.00 0.00 56.01 56.34 2wd7 n LEU 208 Cb 0.00 -1.45 0.04 0.00 -2.33 0.00 0.00 43.42 39.68 2wd7 n LEU 208 CO 0.00 -0.23 0.72 -0.76 -1.33 0.00 0.00 177.39 175.79 2wd7 s LEU 209 N 5.74 3.31 0.51 2.23 2.01 -1.26 -4.95 118.68 126.26 2wd7 s LEU 209 Ca 0.96 1.83 -0.22 0.00 0.01 0.00 0.00 54.13 56.71 2wd7 s LEU 209 Cb -0.54 -4.53 -0.07 0.00 0.01 0.00 0.00 46.19 41.06 2wd7 s LEU 209 CO 0.44 -1.52 1.23 -2.65 1.01 0.00 0.00 176.35 174.87 2wd7 n PRO 210 N -2.64 1.58 0.20 1.29 -0.02 -1.26 -4.89 135.00 129.26 2wd7 n PRO 210 Ca 0.09 0.58 0.05 0.00 -2.02 0.00 0.00 63.50 62.19 2wd7 n PRO 210 Cb 0.53 -2.40 0.43 0.00 -0.02 0.00 0.00 33.50 32.04 2wd7 n PRO 210 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2wd7 h VAL 211 N 1.44 1.10 0.00 -1.45 -1.51 -2.03 -2.12 116.25 111.67 2wd7 h VAL 211 Ca -0.49 -1.11 -0.02 0.00 -1.23 0.00 0.00 66.70 63.85 2wd7 h VAL 211 Cb 1.32 1.62 -0.00 0.00 -2.13 0.00 0.00 31.29 32.09 2wd7 h VAL 211 CO 0.57 0.30 -0.11 0.00 -1.23 0.00 0.00 177.57 177.10 2wd7 h ALA 212 N 1.69 1.11 -2.53 5.19 0.00 -2.04 -3.44 119.26 119.24 2wd7 h ALA 212 Ca -0.00 -0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.28 2wd7 h ALA 212 Cb 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2wd7 h ALA 212 CO 0.04 0.14 0.45 1.41 0.00 0.00 0.00 179.25 181.29 2wd7 s MET 213 N -3.90 4.56 0.59 0.00 0.00 -0.80 -5.04 119.30 114.71 2wd7 s MET 213 Ca -0.01 1.61 -0.12 0.00 0.00 0.00 0.00 55.69 57.17 2wd7 s MET 213 Cb 0.11 -3.36 -0.05 0.00 0.00 0.00 0.00 34.83 31.54 2wd7 s MET 213 CO 0.57 -0.02 1.01 0.20 0.00 0.00 0.00 175.02 176.78 2wd7 s GLY 214 N 0.50 1.73 0.32 2.11 0.00 -1.26 -4.89 107.32 105.84 2wd7 s GLY 214 Ca 0.52 -0.06 0.08 0.00 0.00 0.00 0.00 44.72 45.26 2wd7 s GLY 214 CO 0.31 0.21 1.79 -2.09 0.00 0.00 0.00 173.10 173.31 2wd7 h GLU 215 N -0.04 0.67 -0.04 2.90 4.57 -1.98 -1.89 114.58 118.77 2wd7 h GLU 215 Ca -0.45 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 57.69 2wd7 h GLU 215 Cb 1.19 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.63 2wd7 h GLU 215 CO 0.62 0.45 0.02 1.49 -1.18 0.00 0.00 179.01 180.40 2wd7 h GLU 216 N 0.69 0.06 -0.27 1.92 4.81 -1.99 -0.16 114.58 119.63 2wd7 h GLU 216 Ca 0.57 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.72 2wd7 h GLU 216 Cb 0.97 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 2wd7 h GLU 216 CO -0.35 0.17 -0.12 1.49 -0.73 0.00 0.00 179.01 179.48 2wd7 h GLU 217 N -0.08 0.45 -0.36 1.92 4.81 -1.88 -2.20 114.58 117.25 2wd7 h GLU 217 Ca 0.01 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 2wd7 h GLU 217 Cb 0.14 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2wd7 h GLU 217 CO -0.00 0.58 0.21 0.87 -0.73 0.00 0.00 179.01 179.93 2wd7 h LYS 218 N 0.42 0.41 -0.47 1.92 1.57 -1.10 -2.88 116.57 116.45 2wd7 h LYS 218 Ca 0.08 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2wd7 h LYS 218 Cb 0.47 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2wd7 h LYS 218 CO 0.03 0.27 0.04 -0.44 -0.57 0.00 0.00 179.45 178.78 2wd7 h ASP 219 N 0.43 0.72 -0.26 0.86 3.32 -0.68 0.38 116.42 121.18 2wd7 h ASP 219 Ca 0.14 -0.15 0.06 0.00 0.02 0.00 0.00 57.03 57.10 2wd7 h ASP 219 Cb 0.01 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 39.30 2wd7 h ASP 219 CO -0.07 0.77 -0.26 0.50 -1.72 0.00 0.00 179.24 178.45 2wd7 h LYS 220 N 0.72 -0.25 -0.32 3.56 3.64 -1.30 0.02 116.57 122.64 2wd7 h LYS 220 Ca 0.15 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2wd7 h LYS 220 Cb 0.39 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2wd7 h LYS 220 CO 0.01 -0.17 0.14 -1.49 -2.27 0.00 0.00 179.45 175.68 2wd7 h TRP 221 N -0.26 0.48 -0.66 1.91 4.06 -1.25 -3.02 115.95 117.22 2wd7 h TRP 221 Ca 0.14 -0.03 0.10 0.00 2.06 0.00 0.00 58.89 61.16 2wd7 h TRP 221 Cb 0.48 -0.15 -0.08 0.00 -1.00 0.00 0.00 29.16 28.42 2wd7 h TRP 221 CO -0.42 0.44 0.27 0.00 -3.56 0.00 0.00 178.44 175.17 2wd7 h ARG 222 N 0.38 0.45 0.00 0.49 3.08 -0.59 -2.20 114.38 116.00 2wd7 h ARG 222 Ca 0.11 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2wd7 h ARG 222 Cb 0.15 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2wd7 h ARG 222 CO -0.01 0.30 0.00 0.00 -1.07 0.00 0.00 179.97 179.18 2wd7 h ARG 223 N 0.46 0.00 0.00 0.04 3.08 -0.86 -2.57 114.38 114.53 2wd7 h ARG 223 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2wd7 h ARG 223 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2wd7 h ARG 223 CO -0.31 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.22 2wd7 n LYS 224 N -3.03 0.18 -2.85 0.04 5.02 -0.83 -4.83 118.16 111.87 2wd7 n LYS 224 Ca -0.00 0.18 -0.43 0.00 -2.02 0.00 0.00 58.31 56.04 2wd7 n LYS 224 Cb 0.24 -1.72 -0.04 0.00 -0.02 0.00 0.00 35.03 33.49 2wd7 n LYS 224 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wd7 s VAL 225 N -3.09 4.58 0.21 -0.18 1.01 -0.98 -4.81 120.40 117.14 2wd7 s VAL 225 Ca 0.11 0.97 -0.09 0.00 0.00 0.00 0.00 61.98 62.96 2wd7 s VAL 225 Cb 0.14 -4.34 0.14 0.00 0.00 0.00 0.00 36.38 32.32 2wd7 s VAL 225 CO 0.55 -0.62 1.76 -0.65 0.00 0.00 0.00 175.10 176.14 2wd7 h PRO 226 N 8.68 0.45 -5.37 2.72 0.11 -1.85 -0.72 132.00 136.02 2wd7 h PRO 226 Ca -0.24 -0.03 -0.68 0.00 0.11 0.00 0.00 66.00 65.17 2wd7 h PRO 226 Cb 1.08 -0.10 -0.14 0.00 0.11 0.00 0.00 31.00 31.95 2wd7 h PRO 226 CO 0.98 0.30 1.32 -1.17 -0.21 0.00 0.00 178.00 179.22 2wd7 s LEU 227 N -10.36 4.47 0.00 2.35 2.96 -0.39 -4.18 118.68 113.53 2wd7 s LEU 227 Ca -0.13 -2.16 0.00 0.00 -0.22 0.00 0.00 54.13 51.63 2wd7 s LEU 227 Cb 0.17 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.39 2wd7 s LEU 227 CO 0.75 -1.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.26 2wd7 n GLY 228 N 5.54 0.90 3.67 7.98 0.00 -1.26 -4.36 105.19 117.66 2wd7 n GLY 228 Ca 0.33 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 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 -6.83 -3.65 1.61 5.12 -0.28 -4.95 116.66 105.68 2wd7 n ARG 229 Ca 0.00 0.75 -0.10 0.00 -1.93 0.00 0.00 57.85 56.57 2wd7 n ARG 229 Cb 0.00 -5.71 -0.05 0.00 -1.16 0.00 0.00 32.46 25.54 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 -6.21 1.08 0.52 5.56 1.70 -1.18 -4.33 118.95 116.09 2wd7 s ARG 230 Ca 0.46 -0.73 -0.10 0.00 -0.47 0.00 0.00 55.73 54.88 2wd7 s ARG 230 Cb -0.21 0.47 -0.05 0.00 -0.57 0.00 0.00 34.95 34.58 2wd7 s ARG 230 CO 0.76 -0.42 0.91 -1.83 -1.08 0.00 0.00 175.30 173.64 2wd7 s GLU 231 N -3.81 3.67 0.30 3.89 1.03 -1.26 -4.88 118.70 117.63 2wd7 s GLU 231 Ca 0.04 0.58 -0.29 0.00 0.03 0.00 0.00 54.97 55.32 2wd7 s GLU 231 Cb 0.02 -2.23 -0.10 0.00 -0.80 0.00 0.00 34.13 31.02 2wd7 s GLU 231 CO -0.11 -0.32 1.37 0.00 -1.33 0.00 0.00 175.26 174.87 2wd7 s ALA 232 N -2.82 3.56 0.76 -0.84 0.00 -0.43 -4.93 121.76 117.06 2wd7 s ALA 232 Ca 0.53 1.31 -0.13 0.00 0.00 0.00 0.00 51.96 53.67 2wd7 s ALA 232 Cb -0.10 -3.52 0.06 0.00 0.00 0.00 0.00 23.12 19.55 2wd7 s ALA 232 CO 0.44 -0.71 1.13 -1.54 0.00 0.00 0.00 175.76 175.08 2wd7 s SER 233 N -0.08 4.28 0.30 0.00 1.04 -1.26 -3.53 113.70 114.45 2wd7 s SER 233 Ca 0.54 2.06 0.01 0.00 0.48 0.00 0.00 55.95 59.03 2wd7 s SER 233 Cb -0.41 -2.55 0.46 0.00 0.10 0.00 0.00 66.02 63.62 2wd7 s SER 233 CO 0.49 -2.19 1.81 0.00 0.98 0.00 0.00 173.24 174.34 2wd7 h ALA 234 N -0.79 1.23 -0.90 5.32 0.00 -1.95 -2.28 119.26 119.89 2wd7 h ALA 234 Ca -0.45 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.31 2wd7 h ALA 234 Cb 1.26 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 2wd7 h ALA 234 CO 0.50 0.51 0.55 1.49 0.00 0.00 0.00 179.25 182.30 2wd7 h GLU 235 N 0.63 0.91 -0.61 0.00 4.81 -1.92 -1.29 114.58 117.12 2wd7 h GLU 235 Ca 0.13 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 2wd7 h GLU 235 Cb 0.39 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2wd7 h GLU 235 CO 0.01 0.60 0.12 1.96 -0.73 0.00 0.00 179.01 180.98 2wd7 h GLN 236 N 0.94 0.96 -0.43 1.92 4.20 -1.78 0.23 115.11 121.15 2wd7 h GLN 236 Ca 0.42 -0.22 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 2wd7 h GLN 236 Cb 0.31 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2wd7 h GLN 236 CO -0.22 0.87 0.08 0.82 -0.67 0.00 0.00 178.83 179.71 2wd7 h ILE 237 N 0.91 1.24 -0.66 2.54 1.08 -1.33 -3.08 117.51 118.22 2wd7 h ILE 237 Ca 0.19 -0.87 -0.02 0.00 -0.39 0.00 0.00 64.86 63.77 2wd7 h ILE 237 Cb 0.36 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 35.06 2wd7 h ILE 237 CO 0.00 0.30 0.31 0.00 -0.69 0.00 0.00 178.15 178.07 2wd7 h ALA 238 N 0.94 1.31 -0.98 1.87 0.00 -0.66 -2.46 119.26 119.28 2wd7 h ALA 238 Ca 0.13 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.04 2wd7 h ALA 238 Cb 0.36 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 2wd7 h ALA 238 CO 0.01 0.53 0.60 -0.44 0.00 0.00 0.00 179.25 179.95 2wd7 h ASP 239 N 0.93 0.85 0.54 0.00 3.32 -0.88 -0.90 116.42 120.29 2wd7 h ASP 239 Ca 0.23 0.06 -0.22 0.00 0.02 0.00 0.00 57.03 57.12 2wd7 h ASP 239 Cb 0.11 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2wd7 h ASP 239 CO -0.03 0.42 -0.95 0.00 -1.72 0.00 0.00 179.24 176.96 2wd7 h ALA 240 N 1.56 0.41 -0.27 3.45 0.00 -1.46 -1.91 119.26 121.04 2wd7 h ALA 240 Ca 0.51 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2wd7 h ALA 240 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2wd7 h ALA 240 CO -0.30 0.91 0.18 0.28 0.00 0.00 0.00 179.25 180.32 2wd7 h VAL 241 N 0.13 1.07 -0.75 0.00 2.07 -1.23 -2.25 116.25 115.29 2wd7 h VAL 241 Ca -0.06 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2wd7 h VAL 241 Cb 1.60 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2wd7 h VAL 241 CO 0.15 0.07 0.36 0.40 0.02 0.00 0.00 177.57 178.56 2wd7 h ILE 242 N 0.36 1.24 -0.20 4.57 1.08 -1.07 -2.06 117.51 121.43 2wd7 h ILE 242 Ca 0.10 -0.69 0.05 0.00 -0.39 0.00 0.00 64.86 63.93 2wd7 h ILE 242 Cb -0.04 0.31 -0.04 0.00 -3.07 0.00 0.00 36.82 33.97 2wd7 h ILE 242 CO -0.02 0.29 -0.09 0.15 -0.69 0.00 0.00 178.15 177.79 2wd7 h PHE 243 N 1.06 -0.20 -0.09 1.37 3.57 -1.27 -1.95 116.94 119.41 2wd7 h PHE 243 Ca 0.26 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 2wd7 h PHE 243 Cb 0.13 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2wd7 h PHE 243 CO 0.01 -0.14 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.57 2wd7 h LEU 244 N -0.06 0.18 0.00 0.59 3.38 -0.84 -2.16 115.31 116.40 2wd7 h LEU 244 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wd7 h LEU 244 Cb 0.22 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2wd7 h LEU 244 CO -0.24 0.49 -0.17 -0.37 0.09 0.00 0.00 178.44 178.24 2wd7 h VAL 245 N 0.16 0.00 -4.19 1.22 -1.51 -1.28 -3.44 116.25 107.21 2wd7 h VAL 245 Ca 0.02 -0.82 -0.48 0.00 -1.23 0.00 0.00 66.70 64.19 2wd7 h VAL 245 Cb 0.63 1.73 0.13 0.00 -2.13 0.00 0.00 31.29 31.64 2wd7 h VAL 245 CO 0.05 0.00 0.30 -0.94 -1.23 0.00 0.00 177.57 175.74 2wd7 s SER 246 N -5.50 3.90 0.00 4.19 1.04 -0.75 -4.94 113.70 111.64 2wd7 s SER 246 Ca 0.07 1.28 0.10 0.00 0.48 0.00 0.00 55.95 57.88 2wd7 s SER 246 Cb 0.08 -1.96 0.45 0.00 0.10 0.00 0.00 66.02 64.69 2wd7 s SER 246 CO 0.67 -2.34 1.32 0.61 0.98 0.00 0.00 173.24 174.47 2wd7 n GLY 247 N -1.79 -0.83 0.00 7.32 0.00 -1.26 -2.28 105.19 106.34 2wd7 n GLY 247 Ca 0.07 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.48 0.00 -0.27 1.61 7.64 -1.26 -3.38 113.62 116.48 2wd7 n SER 248 Ca 0.03 0.26 0.08 0.00 1.01 0.00 0.00 58.87 60.25 2wd7 n SER 248 Cb 0.12 -0.41 0.13 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.41 2.50 0.22 -0.43 0.00 -0.97 -4.85 120.51 115.57 2wd7 n ALA 249 Ca 0.09 -2.56 0.17 0.00 0.00 0.00 0.00 53.44 51.14 2wd7 n ALA 249 Cb 0.26 -0.40 0.85 0.00 0.00 0.00 0.00 19.45 20.15 2wd7 n ALA 249 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2wd7 h GLN 250 N 0.23 0.00 -0.14 0.00 3.07 -1.67 0.58 115.11 117.18 2wd7 h GLN 250 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2wd7 h GLN 250 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.64 2wd7 h GLN 250 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 178.83 179.90 2wd7 n TYR 251 N -3.80 0.15 -3.23 0.06 9.36 -1.26 -4.94 117.16 113.50 2wd7 n TYR 251 Ca 0.01 -0.07 -0.40 0.00 3.32 0.00 0.00 57.90 60.75 2wd7 n TYR 251 Cb 0.28 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.92 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 -1.85 5.06 -0.11 2.97 1.01 0.19 -5.04 121.20 123.43 2wd7 s ILE 252 Ca 0.32 0.80 -0.14 0.00 0.00 0.00 0.00 60.65 61.62 2wd7 s ILE 252 Cb 0.21 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.86 2wd7 s ILE 252 CO 0.31 0.03 0.38 0.28 0.00 0.00 0.00 174.94 175.94 2wd7 s THR 253 N 2.33 0.01 -0.91 2.92 -1.32 -1.26 -4.66 115.64 112.76 2wd7 s THR 253 Ca 0.21 -0.11 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 2wd7 s THR 253 Cb -0.16 -0.58 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 2wd7 s THR 253 CO 0.10 -0.06 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 2wd7 n GLY 254 N 2.45 0.83 3.70 6.08 0.00 0.46 -4.95 105.19 113.75 2wd7 n GLY 254 Ca -0.15 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.84 5.31 -0.19 1.61 0.01 -1.26 -4.86 113.70 111.49 2wd7 s SER 255 Ca 0.00 0.17 -0.00 0.00 1.31 0.00 0.00 55.95 57.43 2wd7 s SER 255 Cb 0.00 -1.51 0.01 0.00 0.21 0.00 0.00 66.02 64.73 2wd7 s SER 255 CO 0.00 0.38 -0.17 -0.63 0.41 0.00 0.00 173.24 173.23 2wd7 s ILE 256 N -0.89 2.36 -0.32 1.44 1.01 -1.26 -0.84 121.20 122.70 2wd7 s ILE 256 Ca 0.13 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.83 2wd7 s ILE 256 Cb -0.11 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 2wd7 s ILE 256 CO 0.02 0.51 0.19 -0.63 0.00 0.00 0.00 174.94 175.04 2wd7 s ILE 257 N 1.30 4.99 0.25 2.92 1.01 -0.50 -4.93 121.20 126.23 2wd7 s ILE 257 Ca 0.04 -0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 2wd7 s ILE 257 Cb -0.13 -3.52 -0.09 0.00 0.01 0.00 0.00 42.46 38.72 2wd7 s ILE 257 CO -0.10 0.07 1.21 -0.54 0.00 0.00 0.00 174.94 175.58 2wd7 s LYS 258 N 1.68 4.49 -0.60 2.79 1.02 -1.26 -0.88 119.74 126.98 2wd7 s LYS 258 Ca 0.06 1.96 0.05 0.00 0.02 0.00 0.00 55.97 58.06 2wd7 s LYS 258 Cb -0.17 -3.18 0.19 0.00 -0.52 0.00 0.00 37.83 34.16 2wd7 s LYS 258 CO 0.09 -0.04 0.52 0.28 -0.92 0.00 0.00 175.35 175.27 2wd7 n VAL 259 N 1.70 0.97 -0.71 3.17 0.31 0.28 -4.86 118.33 119.19 2wd7 n VAL 259 Ca 0.02 -4.56 0.00 0.00 -0.01 0.00 0.00 64.34 59.79 2wd7 n VAL 259 Cb 0.44 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.33 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 1.86 0.48 -1.85 4.52 5.75 -1.26 -3.07 116.55 122.98 2wd7 n ASP 260 Ca 0.24 -1.19 -0.21 0.00 -0.01 0.00 0.00 54.79 53.63 2wd7 n ASP 260 Cb 0.41 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.44 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 -0.09 1.09 1.38 6.12 0.00 -1.26 -1.19 105.19 111.23 2wd7 n GLY 261 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.65 0.75 0.21 -0.02 0.00 -1.26 -1.26 105.19 102.96 2wd7 n GLY 262 Ca -0.22 0.00 -0.02 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 0.07 -1.82 0.99 5.85 -1.47 -1.22 115.31 117.71 2wd7 h LEU 263 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2wd7 h LEU 263 Cb 0.00 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2wd7 h LEU 263 CO 0.00 0.06 0.00 0.77 -0.34 0.00 0.00 178.44 178.93 2wd7 h SER 264 N 0.29 0.00 0.59 1.25 4.64 -1.87 -2.38 113.55 116.07 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 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2wd7 h SER 264 CO -0.32 0.00 -0.23 0.18 -0.87 0.00 0.00 176.83 175.59 2wd7 n LEU 265 N -2.57 0.38 -4.67 5.97 4.77 -0.46 -4.89 117.00 115.53 2wd7 n LEU 265 Ca -0.01 0.13 -0.40 0.00 -0.03 0.00 0.00 56.01 55.70 2wd7 n LEU 265 Cb 0.09 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 2wd7 n LEU 265 CO 0.15 0.08 0.32 -0.69 -1.33 0.00 0.00 177.39 175.93 2wd7 s VAL 266 N -2.82 5.06 0.74 4.08 1.01 -0.90 -5.05 120.40 122.51 2wd7 s VAL 266 Ca 0.18 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 63.17 2wd7 s VAL 266 Cb 0.19 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.69 2wd7 s VAL 266 CO 0.58 0.15 1.08 -1.38 0.00 0.00 0.00 175.10 175.53 2wd7 s HIS 267 N 1.68 3.02 -0.81 5.22 -3.43 -1.26 -5.10 115.29 114.61 2wd7 s HIS 267 Ca 0.28 1.26 0.00 0.00 -0.80 0.00 0.00 55.06 55.80 2wd7 s HIS 267 Cb -0.16 -3.00 0.00 0.00 -1.43 0.00 0.00 32.58 27.99 2wd7 s HIS 267 CO 0.11 -1.46 0.20 0.00 -2.00 0.00 0.00 174.74 171.59