#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bd0 n VAL 6 N 0.00 0.19 -4.66 2.52 0.24 -1.26 -4.68 118.33 110.68 3bd0 n VAL 6 Ca 0.00 -0.55 -0.33 0.00 -2.04 0.00 0.00 64.34 61.42 3bd0 n VAL 6 Cb 0.00 -0.06 -0.12 0.00 -1.47 0.00 0.00 33.84 32.19 3bd0 n VAL 6 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bd0 s ARG 8 N -0.36 3.96 0.63 0.00 3.52 0.84 -4.98 118.95 122.57 3bd0 s ARG 8 Ca 0.05 0.28 -0.16 0.00 -0.13 0.00 0.00 55.73 55.76 3bd0 s ARG 8 Cb -0.12 -3.70 -0.02 0.00 -1.56 0.00 0.00 34.95 29.55 3bd0 s ARG 8 CO 0.02 -0.47 1.11 -1.21 -0.81 0.00 0.00 175.30 173.94 3bd0 s GLU 9 N 2.44 2.97 -1.29 5.12 0.41 -1.26 -1.01 118.70 126.08 3bd0 s GLU 9 Ca 0.23 1.41 -0.15 0.00 -0.41 0.00 0.00 54.97 56.05 3bd0 s GLU 9 Cb -0.15 -1.97 -0.03 0.00 -1.78 0.00 0.00 34.13 30.20 3bd0 s GLU 9 CO 0.10 -1.12 2.23 0.00 -0.49 0.00 0.00 175.26 175.99 3bd0 n ALA 10 N -2.15 5.20 0.21 5.21 0.00 -1.26 -4.78 120.51 122.94 3bd0 n ALA 10 Ca 0.10 -3.62 0.13 0.00 0.00 0.00 0.00 53.44 50.05 3bd0 n ALA 10 Cb 0.52 -3.52 0.66 0.00 0.00 0.00 0.00 19.45 17.10 3bd0 n ALA 10 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3bd0 h SER 11 N 6.36 0.00 -0.01 0.00 4.64 -1.90 -0.19 113.55 122.44 3bd0 h SER 11 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 3bd0 h SER 11 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3bd0 h SER 11 CO 1.88 0.00 -0.09 1.41 -0.87 0.00 0.00 176.83 179.16 3bd0 n HIS 12 N -2.36 0.00 -1.78 4.77 8.25 -1.26 -4.96 115.22 117.87 3bd0 n HIS 12 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 3bd0 n HIS 12 Cb 0.06 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.17 3bd0 n HIS 12 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bd0 s ALA 13 N -1.12 3.61 0.00 -1.41 0.00 -0.09 -1.85 121.76 120.90 3bd0 s ALA 13 Ca 0.11 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3bd0 s ALA 13 Cb 0.09 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.59 3bd0 s ALA 13 CO 0.19 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.30 3bd0 n GLY 14 N 0.80 3.05 0.09 0.00 0.00 0.11 -4.81 105.19 104.42 3bd0 n GLY 14 Ca 0.02 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.12 3bd0 n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bd0 n SER 15 N 1.31 1.85 0.14 1.61 3.41 -0.99 -4.66 113.62 116.29 3bd0 n SER 15 Ca 0.00 0.32 -0.00 0.00 -0.26 0.00 0.00 58.87 58.93 3bd0 n SER 15 Cb 0.00 -0.73 0.15 0.00 -0.26 0.00 0.00 64.21 63.37 3bd0 n SER 15 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3bd0 h TRP 16 N -0.95 0.00 -3.51 7.33 4.06 -1.68 -3.47 115.95 117.72 3bd0 h TRP 16 Ca 0.00 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.90 3bd0 h TRP 16 Cb 0.94 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 29.00 3bd0 h TRP 16 CO -0.41 0.61 -0.09 1.52 -3.56 0.00 0.00 178.44 176.51 3bd0 s TYR 17 N -3.40 0.08 0.28 0.49 1.13 -1.25 -2.21 117.35 112.46 3bd0 s TYR 17 Ca -0.00 -0.44 -0.30 0.00 -1.41 0.00 0.00 57.07 54.92 3bd0 s TYR 17 Cb 0.11 0.24 -0.11 0.00 -1.10 0.00 0.00 41.96 41.10 3bd0 s TYR 17 CO 0.75 -0.86 1.56 0.99 -2.51 0.00 0.00 175.55 175.47 3bd0 s THR 18 N -3.91 2.23 0.01 -3.49 2.01 -1.26 0.07 115.64 111.30 3bd0 s THR 18 Ca 0.13 0.19 0.13 0.00 0.31 0.00 0.00 61.69 62.45 3bd0 s THR 18 Cb 0.00 -3.12 -0.00 0.00 0.01 0.00 0.00 72.50 69.39 3bd0 s THR 18 CO -0.01 0.03 1.47 0.00 -0.69 0.00 0.00 174.62 175.42 3bd0 h ALA 19 N 4.97 0.67 -1.70 7.40 0.00 -1.88 -3.40 119.26 125.32 3bd0 h ALA 19 Ca -0.47 -0.56 -0.56 0.00 0.00 0.00 0.00 54.91 53.32 3bd0 h ALA 19 Cb 1.22 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.85 3bd0 h ALA 19 CO 0.79 0.78 1.08 0.45 0.00 0.00 0.00 179.25 182.35 3bd0 s SER 20 N -6.55 6.24 0.14 0.00 0.15 -1.26 -4.78 113.70 107.64 3bd0 s SER 20 Ca 0.02 0.59 -0.27 0.00 0.70 0.00 0.00 55.95 56.99 3bd0 s SER 20 Cb 0.09 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.84 3bd0 s SER 20 CO 0.75 -1.56 1.59 1.23 1.20 0.00 0.00 173.24 176.46 3bd0 h GLY 21 N 12.62 -0.52 -0.08 9.45 0.00 -1.86 0.23 103.07 122.91 3bd0 h GLY 21 Ca -0.27 0.46 0.14 0.00 0.00 0.00 0.00 47.33 47.66 3bd0 h GLY 21 CO 1.13 -0.22 0.05 -2.55 0.00 0.00 0.00 176.54 174.95 3bd0 h PRO 22 N -0.40 0.15 -0.23 4.80 0.11 -1.92 0.34 132.00 134.86 3bd0 h PRO 22 Ca 0.11 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 3bd0 h PRO 22 Cb 0.58 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 3bd0 h PRO 22 CO -0.43 0.10 -0.12 1.96 -0.21 0.00 0.00 178.00 179.31 3bd0 h GLN 23 N 0.16 0.48 -0.43 1.05 4.20 -1.74 -2.26 115.11 116.57 3bd0 h GLN 23 Ca 0.35 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 3bd0 h GLN 23 Cb 0.58 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 3bd0 h GLN 23 CO -0.53 0.76 0.21 1.25 -0.67 0.00 0.00 178.83 179.85 3bd0 h LEU 24 N 0.19 0.56 -0.64 1.46 5.85 -0.10 -1.21 115.31 121.42 3bd0 h LEU 24 Ca 0.05 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3bd0 h LEU 24 Cb 0.62 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 3bd0 h LEU 24 CO 0.03 0.53 0.35 -1.13 -0.34 0.00 0.00 178.44 177.88 3bd0 h ASN 25 N 0.55 0.50 -0.80 1.25 -1.24 -0.28 -0.95 115.58 114.61 3bd0 h ASN 25 Ca 0.15 0.03 -0.03 0.00 0.71 0.00 0.00 56.30 57.16 3bd0 h ASN 25 Cb 0.11 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.06 3bd0 h ASN 25 CO -0.02 0.33 0.36 0.00 -1.29 0.00 0.00 177.43 176.81 3bd0 h ALA 26 N 1.34 1.03 0.39 1.57 0.00 -1.00 -1.99 119.26 120.59 3bd0 h ALA 26 Ca 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3bd0 h ALA 26 Cb 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3bd0 h ALA 26 CO -0.19 0.61 -0.18 1.96 0.00 0.00 0.00 179.25 181.45 3bd0 h GLN 27 N 1.13 -0.50 -0.63 0.00 4.20 -0.37 -1.93 115.11 117.01 3bd0 h GLN 27 Ca 0.27 0.03 0.02 0.00 0.06 0.00 0.00 58.65 59.03 3bd0 h GLN 27 Cb 0.15 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 3bd0 h GLN 27 CO -0.03 -0.30 0.42 -0.07 -0.67 0.00 0.00 178.83 178.18 3bd0 h LEU 28 N -0.57 0.69 -0.24 1.46 3.38 -1.15 -1.30 115.31 117.58 3bd0 h LEU 28 Ca -0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3bd0 h LEU 28 Cb 0.43 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3bd0 h LEU 28 CO 0.09 0.49 0.14 -0.33 0.09 0.00 0.00 178.44 178.92 3bd0 h GLU 29 N 0.81 0.28 -0.15 1.13 4.39 -1.17 -0.13 114.58 119.74 3bd0 h GLU 29 Ca 0.24 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.93 3bd0 h GLU 29 Cb -0.03 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 3bd0 h GLU 29 CO -0.06 0.18 0.08 0.78 -1.16 0.00 0.00 179.01 178.84 3bd0 h GLY 30 N 0.29 0.20 0.96 -3.84 0.00 -0.46 0.11 103.07 100.33 3bd0 h GLY 30 Ca 0.09 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 3bd0 h GLY 30 CO -0.05 0.06 0.13 1.49 0.00 0.00 0.00 176.54 178.17 3bd0 h TRP 31 N 0.18 0.77 -0.20 5.60 6.55 -1.29 -2.99 115.95 124.57 3bd0 h TRP 31 Ca 0.06 -0.08 -0.09 0.00 0.95 0.00 0.00 58.89 59.72 3bd0 h TRP 31 Cb -0.00 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.07 3bd0 h TRP 31 CO -0.08 0.69 -0.27 -0.07 -1.05 0.00 0.00 178.44 177.66 3bd0 h LEU 32 N 0.62 0.38 -1.24 -4.49 3.38 -0.72 -2.98 115.31 110.26 3bd0 h LEU 32 Ca 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3bd0 h LEU 32 Cb 0.30 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3bd0 h LEU 32 CO -0.00 0.65 -0.11 0.77 0.09 0.00 0.00 178.44 179.84 3bd0 h SER 33 N 0.34 0.00 0.91 -0.43 4.64 -0.65 -2.70 113.55 115.65 3bd0 h SER 33 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3bd0 h SER 33 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3bd0 h SER 33 CO 0.05 0.11 -0.12 0.00 -0.87 0.00 0.00 176.83 176.00 3bd0 n GLN 34 N -3.25 0.02 -3.96 4.77 6.02 -1.13 -4.80 117.38 115.05 3bd0 n GLN 34 Ca 0.00 0.01 -0.36 0.00 -0.01 0.00 0.00 57.00 56.65 3bd0 n GLN 34 Cb 0.37 -1.52 -0.08 0.00 1.02 0.00 0.00 30.24 30.04 3bd0 n GLN 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3bd0 s VAL 35 N -3.01 5.12 -0.10 5.09 1.01 -1.02 -5.10 120.40 122.39 3bd0 s VAL 35 Ca 0.13 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 3bd0 s VAL 35 Cb 0.18 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3bd0 s VAL 35 CO 0.57 0.54 0.11 0.00 0.00 0.00 0.00 175.10 176.32 3bd0 s GLN 36 N -0.34 3.34 0.05 2.72 -2.07 -1.26 -5.00 119.66 117.10 3bd0 s GLN 36 Ca 0.10 -0.20 -0.30 0.00 -1.82 0.00 0.00 55.36 53.13 3bd0 s GLN 36 Cb -0.12 -3.10 -0.08 0.00 -1.09 0.00 0.00 33.01 28.62 3bd0 s GLN 36 CO 0.01 0.76 1.70 -1.12 -1.32 0.00 0.00 175.29 175.32 3bd0 s SER 37 N -1.07 6.58 0.00 12.60 0.01 -1.26 -4.85 113.70 125.72 3bd0 s SER 37 Ca 0.15 2.50 0.00 0.00 1.31 0.00 0.00 55.95 59.91 3bd0 s SER 37 Cb -0.12 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.56 3bd0 s SER 37 CO 0.05 -0.92 0.00 0.35 0.41 0.00 0.00 173.24 173.13 3bd0 n THR 38 N 4.91 0.00 -0.67 1.44 -2.24 -1.26 -4.91 114.28 111.55 3bd0 n THR 38 Ca 0.17 -0.05 0.04 0.00 -2.27 0.00 0.00 64.05 61.93 3bd0 n THR 38 Cb 0.41 0.41 0.05 0.00 -2.10 0.00 0.00 70.33 69.10 3bd0 n THR 38 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3bd0 n LYS 39 N -0.57 1.81 -2.00 -0.78 4.76 -1.26 -5.05 118.16 115.07 3bd0 n LYS 39 Ca 0.00 -1.79 -0.39 0.00 -2.87 0.00 0.00 58.31 53.26 3bd0 n LYS 39 Cb 0.00 -1.11 0.01 0.00 -1.84 0.00 0.00 35.03 32.09 3bd0 n LYS 39 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3bd0 s ARG 40 N -1.56 3.69 -0.42 1.97 0.52 -1.25 -3.10 118.95 118.79 3bd0 s ARG 40 Ca 0.12 2.13 -0.19 0.00 -0.52 0.00 0.00 55.73 57.27 3bd0 s ARG 40 Cb 0.11 -2.55 0.02 0.00 0.52 0.00 0.00 34.95 33.05 3bd0 s ARG 40 CO 0.01 -0.71 0.56 -1.25 0.02 0.00 0.00 175.30 173.93 3bd0 s PRO 41 N -2.52 3.25 0.08 3.54 0.04 -1.26 -5.10 135.00 133.04 3bd0 s PRO 41 Ca 0.62 -0.48 -0.36 0.00 0.04 0.00 0.00 61.00 60.82 3bd0 s PRO 41 Cb -0.37 -3.94 -0.16 0.00 0.04 0.00 0.00 34.50 30.06 3bd0 s PRO 41 CO 0.46 -0.92 1.41 0.00 0.04 0.00 0.00 177.00 177.99 3bd0 n ALA 42 N 6.00 -0.43 -0.04 8.56 0.00 0.21 -4.74 120.51 130.06 3bd0 n ALA 42 Ca -0.04 0.49 -0.09 0.00 0.00 0.00 0.00 53.44 53.80 3bd0 n ALA 42 Cb 0.48 -2.14 -0.15 0.00 0.00 0.00 0.00 19.45 17.64 3bd0 n ALA 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3bd0 n ARG 43 N 2.89 0.65 -4.04 0.00 3.00 -0.05 -4.77 116.66 114.34 3bd0 n ARG 43 Ca 0.18 0.21 -0.08 0.00 -0.00 0.00 0.00 57.85 58.17 3bd0 n ARG 43 Cb 0.21 -1.71 -0.09 0.00 0.00 0.00 0.00 32.46 30.86 3bd0 n ARG 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3bd0 s ALA 44 N -2.57 0.38 0.04 5.13 0.00 -1.22 -1.69 121.76 121.84 3bd0 s ALA 44 Ca -0.07 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3bd0 s ALA 44 Cb 0.07 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 3bd0 s ALA 44 CO 0.82 -0.42 -0.04 0.96 0.00 0.00 0.00 175.76 177.08 3bd0 s ILE 45 N -3.92 0.27 -0.11 0.00 -4.36 0.19 0.06 121.20 113.32 3bd0 s ILE 45 Ca 0.09 -1.35 0.02 0.00 -0.26 0.00 0.00 60.65 59.15 3bd0 s ILE 45 Cb 0.07 -0.89 -0.01 0.00 1.25 0.00 0.00 42.46 42.88 3bd0 s ILE 45 CO -0.08 -0.69 -0.17 -0.63 0.24 0.00 0.00 174.94 173.60 3bd0 s ILE 46 N -2.51 2.73 -0.03 8.37 1.01 0.52 -0.43 121.20 130.85 3bd0 s ILE 46 Ca -0.04 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 3bd0 s ILE 46 Cb -0.02 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.35 3bd0 s ILE 46 CO -0.04 0.54 0.18 0.00 0.00 0.00 0.00 174.94 175.62 3bd0 s ALA 47 N 0.23 -0.43 0.87 9.38 0.00 -0.80 -1.45 121.76 129.56 3bd0 s ALA 47 Ca -0.11 0.21 -0.11 0.00 0.00 0.00 0.00 51.96 51.95 3bd0 s ALA 47 Cb -0.16 -0.09 0.12 0.00 0.00 0.00 0.00 23.12 22.99 3bd0 s ALA 47 CO 0.06 -0.16 1.10 -1.25 0.00 0.00 0.00 175.76 175.51 3bd0 s PRO 48 N -0.71 1.44 -0.02 0.00 0.04 -1.23 -1.29 135.00 133.23 3bd0 s PRO 48 Ca -0.08 1.11 0.03 0.00 0.04 0.00 0.00 61.00 62.11 3bd0 s PRO 48 Cb -0.05 -1.81 0.05 0.00 0.04 0.00 0.00 34.50 32.74 3bd0 s PRO 48 CO 0.01 -2.20 0.88 -2.39 0.04 0.00 0.00 177.00 173.34 3bd0 n HIS 49 N -3.89 0.00 -1.05 0.56 1.44 -1.26 -4.77 115.22 106.25 3bd0 n HIS 49 Ca 0.09 -0.25 -0.29 0.00 -2.01 0.00 0.00 57.72 55.26 3bd0 n HIS 49 Cb 0.54 -0.05 0.18 0.00 0.12 0.00 0.00 29.99 30.77 3bd0 n HIS 49 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3bd0 s ALA 50 N -0.66 0.85 0.49 1.59 0.00 -1.26 -4.89 121.76 117.89 3bd0 s ALA 50 Ca 0.06 -0.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 3bd0 s ALA 50 Cb 0.05 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 3bd0 s ALA 50 CO 0.01 -2.91 1.33 0.41 0.00 0.00 0.00 175.76 174.60 3bd0 n GLY 51 N -0.72 0.69 0.33 0.00 0.00 -1.26 -4.65 105.19 99.58 3bd0 n GLY 51 Ca 0.05 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.31 3bd0 n GLY 51 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3bd0 h TYR 52 N 1.75 0.05 0.00 1.61 0.99 -1.82 -0.45 116.97 119.10 3bd0 h TYR 52 Ca -0.50 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.23 3bd0 h TYR 52 Cb 1.30 -0.02 -0.00 0.00 1.00 0.00 0.00 36.73 39.01 3bd0 h TYR 52 CO 0.46 0.02 -0.01 1.15 -0.00 0.00 0.00 178.16 179.79 3bd0 h THR 53 N 0.04 0.06 0.00 -2.88 2.02 -1.90 -0.53 112.91 109.73 3bd0 h THR 53 Ca 0.15 -0.17 -0.31 0.00 0.77 0.00 0.00 66.41 66.85 3bd0 h THR 53 Cb 0.55 1.16 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 3bd0 h THR 53 CO -0.01 0.01 -2.19 -1.22 0.37 0.00 0.00 175.52 172.48 3bd0 n TYR 54 N -3.15 0.00 0.22 3.16 4.02 -0.25 -4.78 117.16 116.38 3bd0 n TYR 54 Ca -0.02 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.90 3bd0 n TYR 54 Cb 0.14 -0.80 0.03 0.00 -0.02 0.00 0.00 39.34 38.69 3bd0 n TYR 54 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3bd0 h GLY 56 N 1.13 0.68 1.62 0.00 0.00 -1.29 -1.81 103.07 103.40 3bd0 h GLY 56 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3bd0 h GLY 56 CO 0.00 0.35 -0.36 1.48 0.00 0.00 0.00 176.54 178.01 3bd0 h SER 57 N 0.62 0.00 0.00 0.19 4.64 -1.86 -3.03 113.55 114.11 3bd0 h SER 57 Ca 0.14 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3bd0 h SER 57 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3bd0 h SER 57 CO -0.00 0.01 -0.00 0.00 -0.87 0.00 0.00 176.83 175.97 3bd0 h ALA 59 N 0.23 1.89 -0.48 0.00 0.00 -1.39 -2.02 119.26 117.49 3bd0 h ALA 59 Ca -0.00 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.98 3bd0 h ALA 59 Cb 0.76 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3bd0 h ALA 59 CO 0.00 0.09 0.33 0.00 0.00 0.00 0.00 179.25 179.67 3bd0 h ALA 60 N 1.92 2.24 -0.19 0.00 0.00 -1.61 0.87 119.26 122.48 3bd0 h ALA 60 Ca 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3bd0 h ALA 60 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3bd0 h ALA 60 CO 0.00 -0.36 -0.18 0.45 0.00 0.00 0.00 179.25 179.16 3bd0 h HIS 61 N 0.16 0.35 0.15 0.00 3.86 -1.49 -1.80 115.15 116.38 3bd0 h HIS 61 Ca 0.22 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3bd0 h HIS 61 Cb 0.68 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.06 3bd0 h HIS 61 CO -0.00 0.50 -0.07 0.00 0.86 0.00 0.00 177.93 179.21 3bd0 h ALA 62 N 1.51 -0.20 0.00 2.45 0.00 -0.99 -3.37 119.26 118.66 3bd0 h ALA 62 Ca 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3bd0 h ALA 62 Cb 0.50 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3bd0 h ALA 62 CO 0.03 -0.22 -0.08 1.88 0.00 0.00 0.00 179.25 180.85 3bd0 h TYR 63 N -0.98 0.00 0.00 0.00 0.05 -1.26 -1.78 116.97 112.99 3bd0 h TYR 63 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3bd0 h TYR 63 Cb 0.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.15 3bd0 h TYR 63 CO 0.06 0.08 0.00 -0.22 -1.05 0.00 0.00 178.16 177.04 3bd0 h LYS 64 N 0.00 0.00 -0.01 4.88 1.63 -1.49 -2.18 116.57 119.40 3bd0 h LYS 64 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 3bd0 h LYS 64 Cb 0.29 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 3bd0 h LYS 64 CO 0.01 0.00 -0.00 1.04 -3.45 0.00 0.00 179.45 177.05 3bd0 n GLN 65 N -2.81 1.61 -2.82 1.90 1.13 -0.67 -4.74 117.38 110.98 3bd0 n GLN 65 Ca -0.00 -0.88 -0.41 0.00 -1.94 0.00 0.00 57.00 53.76 3bd0 n GLN 65 Cb 0.19 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 29.01 3bd0 n GLN 65 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3bd0 s VAL 66 N -2.00 4.81 -0.49 5.09 1.01 -0.82 -0.62 120.40 127.38 3bd0 s VAL 66 Ca 0.39 1.88 -0.14 0.00 0.00 0.00 0.00 61.98 64.11 3bd0 s VAL 66 Cb 0.21 -4.24 0.09 0.00 0.00 0.00 0.00 36.38 32.45 3bd0 s VAL 66 CO 0.34 0.24 0.41 -0.62 0.00 0.00 0.00 175.10 175.46 3bd0 s ASP 67 N 0.62 6.06 0.52 3.32 -1.08 -1.26 -4.93 116.67 119.93 3bd0 s ASP 67 Ca 0.46 -1.53 0.23 0.00 -0.52 0.00 0.00 52.55 51.19 3bd0 s ASP 67 Cb -0.21 -2.15 1.36 0.00 -1.46 0.00 0.00 42.92 40.46 3bd0 s ASP 67 CO 0.26 -0.70 2.01 -0.65 0.52 0.00 0.00 175.17 176.61 3bd0 h PRO 68 N 8.73 0.03 0.00 4.34 0.11 -1.90 -1.42 132.00 141.88 3bd0 h PRO 68 Ca -0.28 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 3bd0 h PRO 68 Cb 1.10 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3bd0 h PRO 68 CO 0.91 0.02 -0.20 0.77 -0.21 0.00 0.00 178.00 179.29 3bd0 h SER 69 N 0.03 0.00 0.00 -2.05 0.02 -1.95 -3.35 113.55 106.24 3bd0 h SER 69 Ca 0.23 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.94 3bd0 h SER 69 Cb 0.87 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.37 3bd0 h SER 69 CO -0.01 0.20 -1.92 -0.38 -1.14 0.00 0.00 176.83 173.58 3bd0 n ILE 70 N -3.30 0.92 -2.57 3.27 5.41 -0.59 -5.00 119.36 117.51 3bd0 n ILE 70 Ca 0.01 -0.36 -0.41 0.00 1.00 0.00 0.00 62.75 62.98 3bd0 n ILE 70 Cb 0.45 -1.06 -0.04 0.00 -0.71 0.00 0.00 39.64 38.28 3bd0 n ILE 70 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 3bd0 s THR 71 N -2.32 4.24 0.00 1.39 2.01 -0.91 -4.45 115.64 115.60 3bd0 s THR 71 Ca -0.21 1.76 0.00 0.00 0.31 0.00 0.00 61.69 63.54 3bd0 s THR 71 Cb 0.06 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.44 3bd0 s THR 71 CO 0.38 0.22 0.00 0.54 -0.69 0.00 0.00 174.62 175.07 3bd0 n ARG 72 N 3.15 2.31 -3.86 4.92 3.00 0.05 -4.88 116.66 121.35 3bd0 n ARG 72 Ca 0.05 0.00 -0.26 0.00 -0.01 0.00 0.00 57.85 57.63 3bd0 n ARG 72 Cb 0.48 -0.82 -0.17 0.00 0.00 0.00 0.00 32.46 31.95 3bd0 n ARG 72 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3bd0 s ARG 73 N -1.39 1.24 -0.28 5.56 0.52 -0.66 -0.48 118.95 123.46 3bd0 s ARG 73 Ca 0.00 -0.18 -0.06 0.00 -0.52 0.00 0.00 55.73 54.97 3bd0 s ARG 73 Cb 0.00 -1.47 0.01 0.00 0.52 0.00 0.00 34.95 34.01 3bd0 s ARG 73 CO 0.00 -0.30 0.06 0.42 0.02 0.00 0.00 175.30 175.50 3bd0 s ILE 74 N 1.78 3.82 -0.02 1.52 1.01 -0.40 -1.82 121.20 127.08 3bd0 s ILE 74 Ca 0.04 -0.71 -0.24 0.00 0.00 0.00 0.00 60.65 59.75 3bd0 s ILE 74 Cb -0.13 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 3bd0 s ILE 74 CO -0.07 0.12 0.71 -0.36 0.00 0.00 0.00 174.94 175.33 3bd0 s PHE 75 N 1.48 3.64 -0.22 3.97 0.40 0.19 -0.33 117.98 127.12 3bd0 s PHE 75 Ca 0.03 1.32 0.01 0.00 -0.60 0.00 0.00 56.93 57.68 3bd0 s PHE 75 Cb -0.17 -2.79 0.05 0.00 0.51 0.00 0.00 43.02 40.62 3bd0 s PHE 75 CO 0.01 0.18 -0.11 0.42 0.70 0.00 0.00 175.22 176.42 3bd0 s ILE 76 N 0.42 1.83 -0.40 0.64 1.01 -0.28 0.26 121.20 124.68 3bd0 s ILE 76 Ca 0.37 -1.18 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 3bd0 s ILE 76 Cb -0.19 -1.89 0.08 0.00 0.01 0.00 0.00 42.46 40.47 3bd0 s ILE 76 CO 0.20 0.14 0.21 -0.76 0.00 0.00 0.00 174.94 174.73 3bd0 s LEU 77 N 1.30 4.98 0.09 2.97 1.43 0.03 -0.70 118.68 128.78 3bd0 s LEU 77 Ca -0.03 -1.53 0.05 0.00 -1.03 0.00 0.00 54.13 51.60 3bd0 s LEU 77 Cb -0.17 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3bd0 s LEU 77 CO -0.08 -0.49 -0.03 -0.83 0.23 0.00 0.00 176.35 175.15 3bd0 s GLY 78 N 1.93 1.88 0.61 -3.19 0.00 -0.81 -1.57 107.32 106.16 3bd0 s GLY 78 Ca 0.03 -1.14 -0.14 0.00 0.00 0.00 0.00 44.72 43.47 3bd0 s GLY 78 CO 0.01 -1.11 1.03 2.56 0.00 0.00 0.00 173.10 175.59 3bd0 s PRO 79 N -2.21 3.43 -0.05 2.90 0.04 -1.26 -0.05 135.00 137.80 3bd0 s PRO 79 Ca 0.24 0.97 -0.18 0.00 0.04 0.00 0.00 61.00 62.07 3bd0 s PRO 79 Cb -0.11 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 3bd0 s PRO 79 CO 0.16 -0.70 0.49 -1.54 0.04 0.00 0.00 177.00 175.45 3bd0 s SER 80 N -3.44 6.80 -0.15 6.66 1.04 -0.76 -4.62 113.70 119.23 3bd0 s SER 80 Ca 0.59 0.95 0.13 0.00 0.48 0.00 0.00 55.95 58.09 3bd0 s SER 80 Cb -0.13 -2.30 -0.24 0.00 0.10 0.00 0.00 66.02 63.46 3bd0 s SER 80 CO 0.44 0.12 0.25 1.41 0.98 0.00 0.00 173.24 176.44 3bd0 n HIS 81 N 2.91 0.42 -0.11 5.02 8.25 -1.26 -4.83 115.22 125.62 3bd0 n HIS 81 Ca -0.09 0.14 -0.20 0.00 -0.26 0.00 0.00 57.72 57.31 3bd0 n HIS 81 Cb 0.52 -1.07 -0.09 0.00 1.12 0.00 0.00 29.99 30.46 3bd0 n HIS 81 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3bd0 n HIS 82 N -2.95 0.72 -3.88 4.41 8.25 -1.26 -4.98 115.22 115.53 3bd0 n HIS 82 Ca -0.29 0.31 -0.27 0.00 -0.26 0.00 0.00 57.72 57.22 3bd0 n HIS 82 Cb 1.10 -0.99 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 3bd0 n HIS 82 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3bd0 s VAL 83 N -2.41 5.30 0.13 1.59 -7.23 -1.26 -5.07 120.40 111.45 3bd0 s VAL 83 Ca -0.29 -0.59 -0.31 0.00 -1.81 0.00 0.00 61.98 58.99 3bd0 s VAL 83 Cb 0.07 -3.73 -0.08 0.00 0.56 0.00 0.00 36.38 33.20 3bd0 s VAL 83 CO 0.50 -0.10 1.32 -2.16 -0.31 0.00 0.00 175.10 174.36 3bd0 s PRO 84 N -3.21 4.37 -0.23 4.82 0.04 -1.26 -4.94 135.00 134.58 3bd0 s PRO 84 Ca 0.36 2.00 -0.04 0.00 0.04 0.00 0.00 61.00 63.36 3bd0 s PRO 84 Cb -0.11 -3.25 0.12 0.00 0.04 0.00 0.00 34.50 31.30 3bd0 s PRO 84 CO 0.29 -0.34 0.40 -1.17 0.04 0.00 0.00 177.00 176.22 3bd0 s LEU 85 N 0.75 -0.68 0.00 -3.56 2.96 -1.26 -5.02 118.68 111.87 3bd0 s LEU 85 Ca 0.61 0.52 0.25 0.00 -0.22 0.00 0.00 54.13 55.29 3bd0 s LEU 85 Cb -0.35 1.26 0.50 0.00 0.50 0.00 0.00 46.19 48.10 3bd0 s LEU 85 CO 0.32 -0.27 1.44 -1.54 -1.32 0.00 0.00 176.35 174.97 3bd0 n SER 86 N 5.38 2.54 0.00 3.68 3.41 -1.26 -0.27 113.62 127.09 3bd0 n SER 86 Ca -0.05 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 3bd0 n SER 86 Cb 0.50 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3bd0 n SER 86 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3bd0 n ARG 87 N 0.96 0.19 -4.69 4.33 0.00 -1.26 -4.51 116.66 111.69 3bd0 n ARG 87 Ca 0.16 0.00 -0.27 0.00 -0.00 0.00 0.00 57.85 57.74 3bd0 n ARG 87 Cb 0.51 0.00 -0.14 0.00 -0.00 0.00 0.00 32.46 32.83 3bd0 n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3bd0 s ALA 89 N -0.85 1.98 0.23 0.00 0.00 -0.24 -0.61 121.76 122.27 3bd0 s ALA 89 Ca 0.09 -1.31 0.08 0.00 0.00 0.00 0.00 51.96 50.83 3bd0 s ALA 89 Cb -0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3bd0 s ALA 89 CO 0.02 0.42 0.04 -0.51 0.00 0.00 0.00 175.76 175.74 3bd0 s LEU 90 N -1.92 3.38 0.65 0.00 1.43 -0.27 -1.23 118.68 120.72 3bd0 s LEU 90 Ca 0.09 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.56 3bd0 s LEU 90 Cb -0.10 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 3bd0 s LEU 90 CO 0.05 0.02 1.11 -0.55 0.23 0.00 0.00 176.35 177.21 3bd0 s SER 91 N -3.49 5.17 0.00 2.29 0.15 -1.26 -0.83 113.70 115.73 3bd0 s SER 91 Ca 0.31 2.01 0.17 0.00 0.70 0.00 0.00 55.95 59.14 3bd0 s SER 91 Cb -0.08 -2.55 0.34 0.00 -1.71 0.00 0.00 66.02 62.03 3bd0 s SER 91 CO 0.21 -1.59 1.27 -1.54 1.20 0.00 0.00 173.24 172.79 3bd0 n SER 92 N -2.31 3.07 -4.94 5.45 3.41 -1.25 -4.81 113.62 112.24 3bd0 n SER 92 Ca 0.10 -1.89 -0.24 0.00 -0.26 0.00 0.00 58.87 56.58 3bd0 n SER 92 Cb 0.52 -0.22 0.01 0.00 -0.26 0.00 0.00 64.21 64.26 3bd0 n SER 92 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3bd0 s VAL 93 N -1.21 1.92 -0.14 -3.33 -7.23 -1.26 -4.99 120.40 104.16 3bd0 s VAL 93 Ca 0.30 -1.34 0.18 0.00 -1.81 0.00 0.00 61.98 59.32 3bd0 s VAL 93 Cb 0.18 -2.26 -0.26 0.00 0.56 0.00 0.00 36.38 34.60 3bd0 s VAL 93 CO 0.24 0.00 0.17 0.47 -0.31 0.00 0.00 175.10 175.67 3bd0 n ASP 94 N -1.87 0.33 -3.92 4.85 10.43 -0.65 -4.92 116.55 120.79 3bd0 n ASP 94 Ca 0.04 0.00 -0.17 0.00 2.57 0.00 0.00 54.79 57.23 3bd0 n ASP 94 Cb 0.63 1.24 -0.15 0.00 1.84 0.00 0.00 41.12 44.68 3bd0 n ASP 94 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3bd0 s ILE 95 N -2.73 0.43 -0.28 0.53 1.01 -0.60 -1.33 121.20 118.23 3bd0 s ILE 95 Ca -0.09 -0.16 -0.08 0.00 0.00 0.00 0.00 60.65 60.32 3bd0 s ILE 95 Cb 0.08 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 42.12 3bd0 s ILE 95 CO 0.80 0.16 0.10 -0.31 0.00 0.00 0.00 174.94 175.68 3bd0 s TYR 96 N 0.32 3.13 0.54 3.97 1.51 -0.45 -0.11 117.35 126.26 3bd0 s TYR 96 Ca -0.04 -0.56 -0.15 0.00 -1.01 0.00 0.00 57.07 55.31 3bd0 s TYR 96 Cb -0.07 -2.28 -0.07 0.00 -0.11 0.00 0.00 41.96 39.43 3bd0 s TYR 96 CO -0.00 -0.43 1.00 1.03 -1.11 0.00 0.00 175.55 176.04 3bd0 s ARG 97 N 1.60 3.84 -0.09 -0.62 0.52 -0.18 -0.75 118.95 123.27 3bd0 s ARG 97 Ca 0.05 0.91 -0.15 0.00 -0.52 0.00 0.00 55.73 56.02 3bd0 s ARG 97 Cb -0.16 -2.12 0.03 0.00 0.52 0.00 0.00 34.95 33.23 3bd0 s ARG 97 CO 0.04 -0.36 0.38 0.99 0.02 0.00 0.00 175.30 176.37 3bd0 s THR 98 N -2.76 0.02 0.61 0.02 2.01 -1.26 -4.26 115.64 110.02 3bd0 s THR 98 Ca 0.58 -0.17 0.37 0.00 0.31 0.00 0.00 61.69 62.79 3bd0 s THR 98 Cb -0.10 -0.60 0.40 0.00 0.01 0.00 0.00 72.50 72.21 3bd0 s THR 98 CO 0.37 -0.09 2.30 -0.65 -0.69 0.00 0.00 174.62 175.86 3bd0 h PRO 99 N 4.80 0.00 0.00 4.92 0.11 -1.93 -3.29 132.00 136.61 3bd0 h PRO 99 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3bd0 h PRO 99 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3bd0 h PRO 99 CO 0.32 0.01 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.04 3bd0 h LEU 100 N 0.00 0.00 -7.36 2.35 3.38 -1.93 -3.37 115.31 108.37 3bd0 h LEU 100 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3bd0 h LEU 100 Cb 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.68 3bd0 h LEU 100 CO 0.00 0.03 0.13 -0.72 0.09 0.00 0.00 178.44 177.97 3bd0 s TYR 101 N -1.03 -0.34 0.39 1.13 -0.85 -1.24 -5.06 117.35 110.34 3bd0 s TYR 101 Ca -0.00 0.05 -0.18 0.00 -0.52 0.00 0.00 57.07 56.42 3bd0 s TYR 101 Cb 0.00 0.50 -0.10 0.00 0.38 0.00 0.00 41.96 42.75 3bd0 s TYR 101 CO 0.00 -0.91 0.86 -0.51 -1.52 0.00 0.00 175.55 173.47 3bd0 s ASP 102 N -2.81 6.84 0.00 -0.18 1.01 -1.26 -4.04 116.67 116.23 3bd0 s ASP 102 Ca 0.05 1.50 0.04 0.00 0.71 0.00 0.00 52.55 54.84 3bd0 s ASP 102 Cb -0.01 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 3bd0 s ASP 102 CO -0.07 -0.31 -0.09 -0.76 0.21 0.00 0.00 175.17 174.14 3bd0 s LEU 103 N -3.18 3.03 -0.15 1.23 1.43 0.07 -4.97 118.68 116.14 3bd0 s LEU 103 Ca 0.58 -0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.39 3bd0 s LEU 103 Cb -0.10 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 3bd0 s LEU 103 CO 0.17 0.29 0.20 -0.13 0.23 0.00 0.00 176.35 177.10 3bd0 s ARG 104 N -1.32 3.95 0.02 1.70 0.52 -1.26 -1.34 118.95 121.22 3bd0 s ARG 104 Ca 0.16 -0.06 -0.28 0.00 -0.52 0.00 0.00 55.73 55.03 3bd0 s ARG 104 Cb -0.11 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 3bd0 s ARG 104 CO 0.06 0.47 0.90 0.42 0.02 0.00 0.00 175.30 177.17 3bd0 s ILE 105 N -0.18 4.81 -0.54 1.52 1.01 -0.44 -0.29 121.20 127.08 3bd0 s ILE 105 Ca 0.14 1.90 -0.26 0.00 0.00 0.00 0.00 60.65 62.42 3bd0 s ILE 105 Cb -0.12 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 3bd0 s ILE 105 CO 0.03 0.24 2.11 -0.62 0.00 0.00 0.00 174.94 176.69 3bd0 s ASP 106 N 0.62 4.92 0.25 3.58 -1.08 -0.45 -4.82 116.67 119.69 3bd0 s ASP 106 Ca 0.47 0.74 -0.04 0.00 -0.52 0.00 0.00 52.55 53.20 3bd0 s ASP 106 Cb -0.21 -2.52 0.39 0.00 -1.46 0.00 0.00 42.92 39.12 3bd0 s ASP 106 CO 0.26 -2.57 1.84 1.56 0.52 0.00 0.00 175.17 176.78 3bd0 h GLN 107 N 16.95 0.92 0.60 4.34 1.08 -1.93 -1.68 115.11 135.39 3bd0 h GLN 107 Ca -0.26 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 56.86 3bd0 h GLN 107 Cb 1.21 -0.21 0.01 0.00 -0.05 0.00 0.00 27.48 28.44 3bd0 h GLN 107 CO 1.18 0.61 -0.29 -0.22 -0.95 0.00 0.00 178.83 179.16 3bd0 h LYS 108 N 0.94 -0.77 -0.70 1.46 3.64 -2.00 -0.31 116.57 118.84 3bd0 h LYS 108 Ca 0.40 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 3bd0 h LYS 108 Cb 0.26 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 3bd0 h LYS 108 CO -0.21 -0.49 0.44 0.82 -2.27 0.00 0.00 179.45 177.74 3bd0 h ILE 109 N -0.85 1.19 -0.19 2.00 1.08 -1.96 -0.51 117.51 118.27 3bd0 h ILE 109 Ca -0.08 -0.38 0.06 0.00 -0.39 0.00 0.00 64.86 64.06 3bd0 h ILE 109 Cb 0.63 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 3bd0 h ILE 109 CO 0.13 0.19 0.15 1.88 -0.69 0.00 0.00 178.15 179.81 3bd0 h TYR 110 N 0.95 0.00 0.10 1.37 -1.99 -1.09 0.36 116.97 116.66 3bd0 h TYR 110 Ca 0.25 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.98 3bd0 h TYR 110 Cb -0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.66 3bd0 h TYR 110 CO -0.02 0.00 -0.05 0.78 -0.00 0.00 0.00 178.16 178.87 3bd0 h GLY 111 N 0.00 -0.14 0.13 3.88 0.00 0.23 -2.48 103.07 104.69 3bd0 h GLY 111 Ca 0.09 0.05 0.08 0.00 0.00 0.00 0.00 47.33 47.55 3bd0 h GLY 111 CO -0.00 -0.05 -0.16 0.83 0.00 0.00 0.00 176.54 177.16 3bd0 h GLU 112 N -0.84 -0.08 -0.41 4.80 5.08 -0.45 -1.84 114.58 120.84 3bd0 h GLU 112 Ca -0.01 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3bd0 h GLU 112 Cb 0.57 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3bd0 h GLU 112 CO 0.02 -0.06 0.26 -0.07 -1.00 0.00 0.00 179.01 178.17 3bd0 h LEU 113 N -0.09 0.44 -1.40 1.33 3.38 -0.41 -2.57 115.31 115.99 3bd0 h LEU 113 Ca 0.18 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3bd0 h LEU 113 Cb 0.37 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3bd0 h LEU 113 CO -0.43 0.32 0.17 -0.25 0.09 0.00 0.00 178.44 178.34 3bd0 h TRP 114 N 0.53 0.57 0.00 1.13 2.91 -0.94 -1.80 115.95 118.35 3bd0 h TRP 114 Ca 0.15 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.16 3bd0 h TRP 114 Cb -0.04 -0.18 0.00 0.00 -0.51 0.00 0.00 29.16 28.43 3bd0 h TRP 114 CO -0.06 0.45 0.00 0.87 -1.03 0.00 0.00 178.44 178.67 3bd0 h LYS 115 N 0.58 0.00 0.00 2.65 1.57 -0.93 -1.88 116.57 118.56 3bd0 h LYS 115 Ca 0.14 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3bd0 h LYS 115 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3bd0 h LYS 115 CO -0.02 0.00 -0.15 1.79 -0.57 0.00 0.00 179.45 180.51 3bd0 h THR 116 N 0.00 0.42 -0.86 -0.16 1.35 -1.25 -3.47 112.91 108.95 3bd0 h THR 116 Ca 0.00 -0.83 -0.23 0.00 -0.55 0.00 0.00 66.41 64.79 3bd0 h THR 116 Cb 0.40 1.60 -0.07 0.00 -1.73 0.00 0.00 68.15 68.35 3bd0 h THR 116 CO 0.00 0.15 -0.24 0.61 -0.25 0.00 0.00 175.52 175.79 3bd0 n GLY 117 N -0.09 0.88 1.04 5.82 0.00 -0.71 -4.91 105.19 107.23 3bd0 n GLY 117 Ca -0.00 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.65 3bd0 n GLY 117 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3bd0 n MET 118 N -2.51 2.35 -4.61 1.61 2.81 -1.26 -4.98 117.12 110.53 3bd0 n MET 118 Ca -0.12 -2.14 -0.26 0.00 -1.81 0.00 0.00 57.70 53.37 3bd0 n MET 118 Cb 0.44 -1.47 -0.14 0.00 -0.71 0.00 0.00 33.22 31.35 3bd0 n MET 118 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3bd0 s PHE 119 N -1.47 1.86 0.49 2.03 0.40 -1.26 -4.24 117.98 115.79 3bd0 s PHE 119 Ca 0.34 -0.38 -0.02 0.00 -0.60 0.00 0.00 56.93 56.27 3bd0 s PHE 119 Cb 0.21 -1.10 -0.01 0.00 0.51 0.00 0.00 43.02 42.63 3bd0 s PHE 119 CO 0.29 0.12 0.74 -1.21 0.70 0.00 0.00 175.22 175.86 3bd0 s GLU 120 N -1.31 3.11 -0.31 0.44 2.02 0.22 -4.96 118.70 117.91 3bd0 s GLU 120 Ca 0.08 -0.25 -0.14 0.00 0.02 0.00 0.00 54.97 54.68 3bd0 s GLU 120 Cb -0.09 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.65 3bd0 s GLU 120 CO 0.02 -0.36 0.30 0.50 0.02 0.00 0.00 175.26 175.75 3bd0 s ARG 121 N -4.69 3.73 0.18 1.61 3.52 -1.26 -1.11 118.95 120.93 3bd0 s ARG 121 Ca 0.49 -0.35 -0.32 0.00 -0.13 0.00 0.00 55.73 55.43 3bd0 s ARG 121 Cb -0.10 -3.74 -0.11 0.00 -1.56 0.00 0.00 34.95 29.44 3bd0 s ARG 121 CO 0.41 -0.39 1.63 -1.64 -0.81 0.00 0.00 175.30 174.50 3bd0 s MET 122 N 1.92 4.18 0.78 5.12 -1.94 -0.01 -4.89 119.30 124.45 3bd0 s MET 122 Ca 0.10 2.47 -0.11 0.00 -1.71 0.00 0.00 55.69 56.44 3bd0 s MET 122 Cb -0.16 -3.12 0.06 0.00 2.01 0.00 0.00 34.83 33.62 3bd0 s MET 122 CO 0.11 -0.67 1.09 -1.54 -0.01 0.00 0.00 175.02 174.00 3bd0 s SER 123 N 1.15 4.48 0.14 3.03 1.04 -1.26 -3.76 113.70 118.52 3bd0 s SER 123 Ca 0.72 1.65 -0.18 0.00 0.48 0.00 0.00 55.95 58.62 3bd0 s SER 123 Cb -0.46 -2.38 0.03 0.00 0.10 0.00 0.00 66.02 63.30 3bd0 s SER 123 CO 0.32 -2.02 1.73 0.25 0.98 0.00 0.00 173.24 174.49 3bd0 h LEU 124 N -1.12 -0.03 -0.31 2.42 5.85 -1.97 -1.01 115.31 119.14 3bd0 h LEU 124 Ca -0.45 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.39 3bd0 h LEU 124 Cb 1.24 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.27 3bd0 h LEU 124 CO 0.54 0.02 -0.29 -0.61 -0.34 0.00 0.00 178.44 177.77 3bd0 h GLN 125 N 0.14 -0.25 -0.21 1.25 -0.00 -1.99 -0.09 115.11 113.97 3bd0 h GLN 125 Ca 0.14 0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.85 3bd0 h GLN 125 Cb 0.16 0.06 -0.05 0.00 0.00 0.00 0.00 27.48 27.64 3bd0 h GLN 125 CO -0.19 -0.17 -0.12 1.15 0.00 0.00 0.00 178.83 179.50 3bd0 h THR 126 N -0.26 0.64 -0.16 2.39 2.02 -1.86 -0.03 112.91 115.66 3bd0 h THR 126 Ca 0.15 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.37 3bd0 h THR 126 Cb 0.51 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 3bd0 h THR 126 CO -0.46 0.00 -0.07 -0.78 0.37 0.00 0.00 175.52 174.58 3bd0 h ASP 127 N -0.10 -0.23 0.50 4.18 1.82 -0.60 -2.13 116.42 119.86 3bd0 h ASP 127 Ca 0.12 0.06 -0.11 0.00 -0.39 0.00 0.00 57.03 56.70 3bd0 h ASP 127 Cb 0.28 0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.40 3bd0 h ASP 127 CO -0.27 -0.09 -0.52 -0.33 -1.61 0.00 0.00 179.24 176.42 3bd0 h GLU 128 N -0.05 0.03 -0.67 0.28 5.08 -0.84 -3.02 114.58 115.39 3bd0 h GLU 128 Ca 0.08 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3bd0 h GLU 128 Cb 0.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3bd0 h GLU 128 CO -0.19 0.55 0.19 0.22 -1.00 0.00 0.00 179.01 178.77 3bd0 h ASP 129 N 0.02 1.00 -3.84 1.42 3.58 -0.50 -3.43 116.42 114.67 3bd0 h ASP 129 Ca -0.00 -0.22 -0.49 0.00 0.42 0.00 0.00 57.03 56.74 3bd0 h ASP 129 Cb 0.93 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 3bd0 h ASP 129 CO 0.07 0.96 0.39 -0.70 -2.88 0.00 0.00 179.24 177.07 3bd0 s GLU 130 N -5.36 4.62 -0.00 0.28 2.56 -0.84 -4.99 118.70 114.97 3bd0 s GLU 130 Ca -0.12 1.52 0.05 0.00 0.00 0.00 0.00 54.97 56.42 3bd0 s GLU 130 Cb 0.14 -3.00 -0.06 0.00 2.00 0.00 0.00 34.13 33.20 3bd0 s GLU 130 CO 0.83 0.27 0.19 -2.39 -0.56 0.00 0.00 175.26 173.61 3bd0 n HIS 131 N 0.91 0.00 0.22 5.30 1.44 -1.26 -4.57 115.22 117.26 3bd0 n HIS 131 Ca 0.00 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.80 3bd0 n HIS 131 Cb 0.48 -0.04 0.51 0.00 0.12 0.00 0.00 29.99 31.07 3bd0 n HIS 131 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3bd0 h SER 132 N 0.00 0.00 0.07 4.39 4.64 -1.90 -2.11 113.55 118.64 3bd0 h SER 132 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 3bd0 h SER 132 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3bd0 h SER 132 CO 0.00 0.24 -1.56 0.40 -0.87 0.00 0.00 176.83 175.04 3bd0 h ILE 133 N 0.00 0.84 -0.90 0.95 2.04 -1.87 -3.40 117.51 115.17 3bd0 h ILE 133 Ca -0.00 -2.29 0.20 0.00 1.00 0.00 0.00 64.86 63.77 3bd0 h ILE 133 Cb 0.62 2.46 -0.07 0.00 -0.74 0.00 0.00 36.82 39.09 3bd0 h ILE 133 CO 0.03 0.63 0.60 -0.08 0.00 0.00 0.00 178.15 179.33 3bd0 h GLU 134 N -0.44 0.40 0.00 2.37 4.81 -1.74 -1.07 114.58 118.92 3bd0 h GLU 134 Ca -0.36 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3bd0 h GLU 134 Cb 1.68 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.97 3bd0 h GLU 134 CO -0.03 0.27 0.00 1.98 -0.73 0.00 0.00 179.01 180.49 3bd0 h MET 135 N 0.41 0.00 -0.02 1.92 4.05 -1.59 -1.83 114.93 117.87 3bd0 h MET 135 Ca 0.47 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.89 3bd0 h MET 135 Cb 1.16 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.96 3bd0 h MET 135 CO -0.18 0.00 -0.23 0.72 0.23 0.00 0.00 176.91 177.45 3bd0 n HIS 136 N -2.62 0.00 0.07 1.39 8.25 -0.40 -4.49 115.22 117.41 3bd0 n HIS 136 Ca -0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 3bd0 n HIS 136 Cb 0.17 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 3bd0 n HIS 136 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3bd0 h LEU 137 N 3.39 -0.22 -1.03 2.41 3.38 -1.42 -1.55 115.31 120.27 3bd0 h LEU 137 Ca 0.00 -0.19 0.20 0.00 0.09 0.00 0.00 57.88 57.98 3bd0 h LEU 137 Cb 0.84 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.54 3bd0 h LEU 137 CO 0.00 0.31 0.61 -0.65 0.09 0.00 0.00 178.44 178.80 3bd0 h PRO 138 N -1.00 0.72 -0.16 1.13 0.11 -1.79 0.03 132.00 131.03 3bd0 h PRO 138 Ca -0.03 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 3bd0 h PRO 138 Cb 0.40 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 3bd0 h PRO 138 CO 0.04 0.47 -0.20 1.88 -0.21 0.00 0.00 178.00 179.99 3bd0 h TYR 139 N 0.74 0.51 -0.83 0.65 0.99 -1.79 -1.01 116.97 116.22 3bd0 h TYR 139 Ca 0.58 -0.16 -0.03 0.00 2.00 0.00 0.00 58.73 61.12 3bd0 h TYR 139 Cb 0.94 -0.10 -0.04 0.00 1.00 0.00 0.00 36.73 38.53 3bd0 h TYR 139 CO -0.00 0.83 0.40 1.79 -0.00 0.00 0.00 178.16 181.17 3bd0 h THR 140 N 0.05 1.26 -0.25 -2.88 1.35 -0.98 -0.48 112.91 110.97 3bd0 h THR 140 Ca 0.02 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3bd0 h THR 140 Cb 0.76 0.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.35 3bd0 h THR 140 CO 0.05 0.31 0.16 0.00 -0.25 0.00 0.00 175.52 175.79 3bd0 h ALA 141 N 1.25 0.31 -0.06 6.62 0.00 -0.86 -1.41 119.26 125.11 3bd0 h ALA 141 Ca 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3bd0 h ALA 141 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3bd0 h ALA 141 CO -0.04 -0.21 0.02 -0.22 0.00 0.00 0.00 179.25 178.81 3bd0 h LYS 142 N 0.33 0.10 -0.54 0.00 1.63 -1.02 -1.70 116.57 115.37 3bd0 h LYS 142 Ca 0.09 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.96 3bd0 h LYS 142 Cb -0.03 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 3bd0 h LYS 142 CO -0.02 0.23 0.36 0.00 -3.45 0.00 0.00 179.45 176.58 3bd0 h ALA 143 N 0.86 2.00 -0.03 5.00 0.00 -0.85 -2.59 119.26 123.65 3bd0 h ALA 143 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3bd0 h ALA 143 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3bd0 h ALA 143 CO -0.00 -0.12 -0.07 -1.33 0.00 0.00 0.00 179.25 177.73 3bd0 n MET 144 N -4.47 2.11 -0.11 0.00 2.81 -0.55 -4.59 117.12 112.31 3bd0 n MET 144 Ca 0.08 -1.71 -0.03 0.00 -1.81 0.00 0.00 57.70 54.23 3bd0 n MET 144 Cb 0.33 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.35 3bd0 n MET 144 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3bd0 n GLU 145 N 1.05 -0.12 -0.32 0.03 1.02 -0.65 0.13 120.64 121.77 3bd0 n GLU 145 Ca 0.14 0.51 0.22 0.00 -0.02 0.00 0.00 57.16 58.01 3bd0 n GLU 145 Cb 0.56 -0.75 0.49 0.00 -0.02 0.00 0.00 31.44 31.72 3bd0 n GLU 145 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3bd0 h SER 146 N 0.00 0.47 -0.75 1.62 4.64 -1.85 0.11 113.55 117.80 3bd0 h SER 146 Ca 0.04 0.09 -0.53 0.00 -0.47 0.00 0.00 61.79 60.92 3bd0 h SER 146 Cb 0.11 0.01 -0.34 0.00 -0.31 0.00 0.00 62.40 61.87 3bd0 h SER 146 CO -0.25 0.09 -0.27 1.41 -0.87 0.00 0.00 176.83 176.95 3bd0 n HIS 147 N -4.65 2.62 0.16 4.77 8.25 0.12 -4.87 115.22 121.62 3bd0 n HIS 147 Ca 0.25 -2.35 0.18 0.00 -0.26 0.00 0.00 57.72 55.54 3bd0 n HIS 147 Cb 0.86 -0.66 0.69 0.00 1.12 0.00 0.00 29.99 32.00 3bd0 n HIS 147 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 3bd0 h LYS 148 N 1.96 0.00 -0.01 -0.41 2.10 0.02 -0.53 116.57 119.70 3bd0 h LYS 148 Ca 0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.06 3bd0 h LYS 148 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 3bd0 h LYS 148 CO 0.92 0.00 -0.49 -0.25 -2.00 0.00 0.00 179.45 177.63 3bd0 n ASP 149 N -3.30 1.91 -0.84 7.07 8.00 -1.26 -4.50 116.55 123.63 3bd0 n ASP 149 Ca 0.05 -1.45 0.07 0.00 0.71 0.00 0.00 54.79 54.18 3bd0 n ASP 149 Cb 0.65 0.48 0.19 0.00 -0.02 0.00 0.00 41.12 42.43 3bd0 n ASP 149 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3bd0 n GLU 150 N -0.15 2.69 -4.19 -1.24 1.02 -0.21 -4.99 120.64 113.58 3bd0 n GLU 150 Ca 0.09 -2.17 -0.16 0.00 -0.02 0.00 0.00 57.16 54.90 3bd0 n GLU 150 Cb 0.45 -1.35 -0.13 0.00 -0.02 0.00 0.00 31.44 30.39 3bd0 n GLU 150 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3bd0 s PHE 151 N -1.02 0.75 0.42 -0.32 -0.12 -1.25 -4.77 117.98 111.68 3bd0 s PHE 151 Ca 0.30 -0.31 0.07 0.00 -0.05 0.00 0.00 56.93 56.94 3bd0 s PHE 151 Cb 0.16 -0.46 -0.04 0.00 -0.63 0.00 0.00 43.02 42.05 3bd0 s PHE 151 CO 0.21 -0.03 0.22 0.95 -0.05 0.00 0.00 175.22 176.53 3bd0 s THR 152 N -0.76 2.29 0.13 -4.49 -4.23 0.37 -4.65 115.64 104.30 3bd0 s THR 152 Ca -0.02 -1.63 0.08 0.00 -1.18 0.00 0.00 61.69 58.93 3bd0 s THR 152 Cb -0.06 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 3bd0 s THR 152 CO 0.00 0.00 -0.19 0.27 -0.54 0.00 0.00 174.62 174.17 3bd0 s ILE 153 N -2.60 1.68 -0.44 2.99 -4.36 0.60 -1.28 121.20 117.79 3bd0 s ILE 153 Ca 0.41 -1.70 0.02 0.00 -0.26 0.00 0.00 60.65 59.12 3bd0 s ILE 153 Cb 0.02 -1.64 0.13 0.00 1.25 0.00 0.00 42.46 42.22 3bd0 s ILE 153 CO 0.23 -0.21 0.21 -0.63 0.24 0.00 0.00 174.94 174.78 3bd0 s ILE 154 N -1.64 1.74 0.04 8.37 -1.09 0.55 -1.34 121.20 127.83 3bd0 s ILE 154 Ca 0.10 -2.61 -0.30 0.00 -2.23 0.00 0.00 60.65 55.60 3bd0 s ILE 154 Cb -0.08 -2.23 -0.05 0.00 -1.58 0.00 0.00 42.46 38.53 3bd0 s ILE 154 CO 0.05 -0.82 1.12 -2.84 -1.23 0.00 0.00 174.94 171.23 3bd0 s PRO 155 N 0.37 4.47 -0.07 2.79 0.02 -1.26 -1.13 135.00 140.19 3bd0 s PRO 155 Ca 0.16 1.65 0.01 0.00 0.02 0.00 0.00 61.00 62.83 3bd0 s PRO 155 Cb -0.24 -3.39 0.02 0.00 0.02 0.00 0.00 34.50 30.91 3bd0 s PRO 155 CO -0.03 -0.19 -0.07 0.08 -0.33 0.00 0.00 177.00 176.45 3bd0 s VAL 156 N 1.09 0.85 -0.29 3.83 1.01 0.12 -4.40 120.40 122.62 3bd0 s VAL 156 Ca 0.56 -0.26 -0.19 0.00 0.00 0.00 0.00 61.98 62.09 3bd0 s VAL 156 Cb -0.26 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 3bd0 s VAL 156 CO 0.28 0.31 0.57 -0.22 0.00 0.00 0.00 175.10 176.05 3bd0 s LEU 157 N 1.16 4.12 -0.18 3.92 2.96 -0.36 -1.92 118.68 128.38 3bd0 s LEU 157 Ca -0.06 0.44 -0.12 0.00 -0.22 0.00 0.00 54.13 54.17 3bd0 s LEU 157 Cb -0.14 -2.73 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 3bd0 s LEU 157 CO -0.02 -0.39 0.21 -0.69 -1.32 0.00 0.00 176.35 174.14 3bd0 s VAL 158 N 2.46 5.36 0.00 1.68 1.01 0.92 -1.08 120.40 130.75 3bd0 s VAL 158 Ca 0.23 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.57 3bd0 s VAL 158 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3bd0 s VAL 158 CO 0.11 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.23 3bd0 n GLY 159 N 3.44 1.44 3.04 4.51 0.00 0.37 -1.82 105.19 116.18 3bd0 n GLY 159 Ca -0.14 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 3bd0 n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bd0 n ALA 160 N -3.00 4.86 -1.85 4.61 0.00 0.63 -4.83 120.51 120.93 3bd0 n ALA 160 Ca 0.00 -4.01 -0.41 0.00 0.00 0.00 0.00 53.44 49.02 3bd0 n ALA 160 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 19.45 16.05 3bd0 n ALA 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3bd0 s LEU 161 N 2.08 4.41 0.77 0.00 1.43 -1.26 -4.67 118.68 121.44 3bd0 s LEU 161 Ca 0.47 2.64 -0.11 0.00 -1.03 0.00 0.00 54.13 56.10 3bd0 s LEU 161 Cb 0.09 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.73 3bd0 s LEU 161 CO -0.02 -0.60 1.08 -0.94 0.23 0.00 0.00 176.35 176.10 3bd0 s SER 162 N -0.03 4.66 0.35 2.29 1.04 -1.26 -4.84 113.70 115.92 3bd0 s SER 162 Ca 0.54 1.46 0.14 0.00 0.48 0.00 0.00 55.95 58.58 3bd0 s SER 162 Cb -0.40 -2.23 1.02 0.00 0.10 0.00 0.00 66.02 64.51 3bd0 s SER 162 CO 0.47 -1.89 1.72 -0.33 0.98 0.00 0.00 173.24 174.20 3bd0 h GLU 163 N -1.03 0.43 -0.47 4.02 5.08 -1.99 -0.11 114.58 120.51 3bd0 h GLU 163 Ca -0.46 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 57.79 3bd0 h GLU 163 Cb 1.25 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3bd0 h GLU 163 CO 0.57 0.29 -0.06 0.77 -1.00 0.00 0.00 179.01 179.58 3bd0 h SER 164 N 0.44 0.86 0.39 1.42 0.02 -1.99 -2.03 113.55 112.66 3bd0 h SER 164 Ca 0.66 -0.34 -0.11 0.00 -0.84 0.00 0.00 61.79 61.17 3bd0 h SER 164 Cb 1.49 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 3bd0 h SER 164 CO -0.45 0.99 -0.47 0.11 -1.14 0.00 0.00 176.83 175.88 3bd0 h LYS 165 N 0.71 0.10 -0.49 3.45 1.79 -1.43 0.49 116.57 121.19 3bd0 h LYS 165 Ca 0.12 -0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 58.47 3bd0 h LYS 165 Cb 0.59 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 3bd0 h LYS 165 CO 0.04 0.55 0.02 0.93 -1.08 0.00 0.00 179.45 179.90 3bd0 h GLU 166 N 0.08 0.85 -0.10 3.15 5.08 -1.03 0.48 114.58 123.09 3bd0 h GLU 166 Ca 0.00 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 3bd0 h GLU 166 Cb 0.86 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 3bd0 h GLU 166 CO 0.07 0.88 0.02 1.96 -1.00 0.00 0.00 179.01 180.94 3bd0 h GLN 167 N 0.71 0.16 0.16 2.33 4.20 -0.58 -1.04 115.11 121.06 3bd0 h GLN 167 Ca 0.14 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3bd0 h GLN 167 Cb 0.49 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.25 3bd0 h GLN 167 CO 0.02 0.34 -0.08 0.93 -0.67 0.00 0.00 178.83 179.38 3bd0 h GLU 168 N -0.05 -0.21 -0.64 1.46 5.08 0.01 -0.97 114.58 119.26 3bd0 h GLU 168 Ca 0.03 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 3bd0 h GLU 168 Cb 0.25 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3bd0 h GLU 168 CO 0.00 -0.13 0.13 0.74 -1.00 0.00 0.00 179.01 178.74 3bd0 h PHE 169 N -0.23 1.07 0.07 4.33 -1.00 -0.95 -1.96 116.94 118.28 3bd0 h PHE 169 Ca -0.02 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.65 3bd0 h PHE 169 Cb 0.17 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 3bd0 h PHE 169 CO -0.06 0.89 -0.20 0.78 -1.61 0.00 0.00 178.31 178.11 3bd0 h GLY 170 N 1.04 -0.33 0.24 -1.45 0.00 -1.03 0.57 103.07 102.11 3bd0 h GLY 170 Ca 0.20 0.23 0.11 0.00 0.00 0.00 0.00 47.33 47.87 3bd0 h GLY 170 CO 0.01 -0.18 0.14 1.70 0.00 0.00 0.00 176.54 178.20 3bd0 h LYS 171 N -0.36 0.27 -0.07 4.80 3.64 -0.96 -0.89 116.57 123.01 3bd0 h LYS 171 Ca 0.04 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3bd0 h LYS 171 Cb 0.39 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3bd0 h LYS 171 CO -0.13 0.18 0.03 1.25 -2.27 0.00 0.00 179.45 178.51 3bd0 h LEU 172 N 0.28 0.09 -0.08 5.20 5.85 -0.95 -2.86 115.31 122.83 3bd0 h LEU 172 Ca 0.30 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3bd0 h LEU 172 Cb 0.43 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3bd0 h LEU 172 CO -0.38 0.19 0.00 0.49 -0.34 0.00 0.00 178.44 178.40 3bd0 n PHE 173 N -4.97 0.21 -0.21 1.25 3.72 0.16 -3.36 117.46 114.24 3bd0 n PHE 173 Ca -0.06 0.07 -0.08 0.00 -0.05 0.00 0.00 57.45 57.33 3bd0 n PHE 173 Cb 0.09 -0.61 0.06 0.00 -0.94 0.00 0.00 39.48 38.07 3bd0 n PHE 173 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3bd0 h SER 174 N 0.00 1.02 -0.24 4.37 4.64 -0.92 -1.04 113.55 121.37 3bd0 h SER 174 Ca 0.00 -0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 3bd0 h SER 174 Cb 0.42 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3bd0 h SER 174 CO 0.00 1.04 0.14 0.07 -0.87 0.00 0.00 176.83 177.21 3bd0 h LYS 175 N 0.98 0.36 -0.10 4.77 2.10 -1.70 -1.86 116.57 121.13 3bd0 h LYS 175 Ca 0.19 -0.03 -0.22 0.00 -2.00 0.00 0.00 60.65 58.59 3bd0 h LYS 175 Cb 0.47 -0.08 0.01 0.00 -0.90 0.00 0.00 32.23 31.73 3bd0 h LYS 175 CO 0.02 0.27 -0.81 1.88 -2.00 0.00 0.00 179.45 178.81 3bd0 h TYR 176 N 0.37 0.87 0.00 0.07 -1.99 -1.68 -3.20 116.97 111.40 3bd0 h TYR 176 Ca 0.10 -0.40 -0.01 0.00 2.00 0.00 0.00 58.73 60.42 3bd0 h TYR 176 Cb 0.02 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 38.62 3bd0 h TYR 176 CO 0.00 1.21 -0.04 1.25 -0.00 0.00 0.00 178.16 180.58 3bd0 h LEU 177 N 0.41 0.00 -0.08 3.88 5.85 -0.41 -2.27 115.31 122.70 3bd0 h LEU 177 Ca -0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3bd0 h LEU 177 Cb 1.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.46 3bd0 h LEU 177 CO 0.16 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.30 3bd0 n ALA 178 N -2.26 2.21 -2.65 1.25 0.00 -0.88 -4.80 120.51 113.39 3bd0 n ALA 178 Ca -0.02 -0.01 -0.40 0.00 0.00 0.00 0.00 53.44 53.01 3bd0 n ALA 178 Cb 0.14 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.08 3bd0 n ALA 178 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3bd0 s ASP 179 N -4.47 7.01 0.07 0.00 -1.08 -0.85 -4.94 116.67 112.41 3bd0 s ASP 179 Ca 0.10 1.22 0.22 0.00 -0.52 0.00 0.00 52.55 53.56 3bd0 s ASP 179 Cb 0.12 -2.41 0.88 0.00 -1.46 0.00 0.00 42.92 40.05 3bd0 s ASP 179 CO 0.57 -0.08 1.68 -0.81 0.52 0.00 0.00 175.17 177.05 3bd0 n PRO 180 N 3.55 0.07 -0.00 4.34 -0.04 -1.26 -1.89 135.00 139.77 3bd0 n PRO 180 Ca -0.02 0.21 0.15 0.00 -0.04 0.00 0.00 63.50 63.80 3bd0 n PRO 180 Cb 0.51 -1.61 0.80 0.00 -0.04 0.00 0.00 33.50 33.16 3bd0 n PRO 180 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3bd0 n SER 181 N -1.73 0.38 -4.82 3.54 7.64 -1.26 -4.53 113.62 112.84 3bd0 n SER 181 Ca 0.04 -1.17 -0.22 0.00 1.01 0.00 0.00 58.87 58.54 3bd0 n SER 181 Cb 0.26 -0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.41 3bd0 n SER 181 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3bd0 s ASN 182 N -1.95 5.21 -0.24 6.43 0.01 -0.79 -0.77 114.94 122.84 3bd0 s ASN 182 Ca 0.43 -0.50 -0.10 0.00 -0.71 0.00 0.00 52.86 51.99 3bd0 s ASN 182 Cb 0.21 -1.01 0.10 0.00 0.41 0.00 0.00 41.25 40.96 3bd0 s ASN 182 CO 0.34 -0.27 0.54 -0.22 -1.51 0.00 0.00 177.10 175.98 3bd0 s LEU 183 N -3.93 -0.79 -0.29 0.60 2.96 -0.76 -4.73 118.68 111.73 3bd0 s LEU 183 Ca 0.39 1.26 -0.12 0.00 -0.22 0.00 0.00 54.13 55.44 3bd0 s LEU 183 Cb -0.06 1.84 -0.04 0.00 0.50 0.00 0.00 46.19 48.44 3bd0 s LEU 183 CO 0.25 -0.22 0.22 -0.36 -1.32 0.00 0.00 176.35 174.92 3bd0 s PHE 184 N 2.41 3.22 -0.38 5.38 2.99 -0.68 0.56 117.98 131.47 3bd0 s PHE 184 Ca -0.06 0.06 -0.20 0.00 0.00 0.00 0.00 56.93 56.74 3bd0 s PHE 184 Cb -0.10 -2.42 0.01 0.00 0.00 0.00 0.00 43.02 40.50 3bd0 s PHE 184 CO -0.16 -0.21 0.63 0.08 -0.00 0.00 0.00 175.22 175.55 3bd0 s VAL 185 N 1.78 4.88 -0.24 -0.44 1.01 0.14 -0.64 120.40 126.89 3bd0 s VAL 185 Ca 0.07 0.41 -0.10 0.00 0.00 0.00 0.00 61.98 62.37 3bd0 s VAL 185 Cb -0.16 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 3bd0 s VAL 185 CO 0.11 -0.40 0.14 -0.69 0.00 0.00 0.00 175.10 174.26 3bd0 s VAL 186 N 2.72 5.10 -0.32 2.92 1.01 0.43 -0.79 120.40 131.47 3bd0 s VAL 186 Ca 0.23 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.19 3bd0 s VAL 186 Cb -0.14 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3bd0 s VAL 186 CO 0.16 0.34 0.22 -0.55 0.00 0.00 0.00 175.10 175.26 3bd0 s SER 187 N 1.24 6.02 -0.28 3.32 0.15 -0.61 -1.91 113.70 121.62 3bd0 s SER 187 Ca 0.07 -0.28 -0.21 0.00 0.70 0.00 0.00 55.95 56.23 3bd0 s SER 187 Cb -0.14 -2.12 0.10 0.00 -1.71 0.00 0.00 66.02 62.14 3bd0 s SER 187 CO 0.05 -0.17 0.85 -0.55 1.20 0.00 0.00 173.24 174.63 3bd0 s SER 188 N 1.73 -0.67 0.63 5.45 0.15 -0.41 -4.25 113.70 116.33 3bd0 s SER 188 Ca 0.06 1.19 -0.07 0.00 0.70 0.00 0.00 55.95 57.83 3bd0 s SER 188 Cb -0.17 1.24 0.02 0.00 -1.71 0.00 0.00 66.02 65.40 3bd0 s SER 188 CO 0.10 -0.20 0.95 -1.81 1.20 0.00 0.00 173.24 173.49 3bd0 s ASP 189 N 0.81 5.40 0.00 5.45 1.01 -1.26 -3.51 116.67 124.57 3bd0 s ASP 189 Ca -0.03 0.72 0.00 0.00 0.71 0.00 0.00 52.55 53.95 3bd0 s ASP 189 Cb -0.05 -1.61 0.00 0.00 1.01 0.00 0.00 42.92 42.27 3bd0 s ASP 189 CO -0.09 -1.22 0.00 0.49 0.21 0.00 0.00 175.17 174.56 3bd0 n PHE 190 N -2.72 0.00 -1.78 4.23 3.01 0.10 -3.43 117.46 116.87 3bd0 n PHE 190 Ca 0.06 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.10 3bd0 n PHE 190 Cb 0.58 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.02 3bd0 n PHE 190 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3bd0 s HIS 192 N 1.23 3.46 -0.12 0.00 3.76 -1.22 -0.35 115.29 122.04 3bd0 s HIS 192 Ca 0.74 -1.77 -0.05 0.00 -0.15 0.00 0.00 55.06 53.83 3bd0 s HIS 192 Cb -0.48 -3.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.50 3bd0 s HIS 192 CO 0.32 -0.99 0.05 -0.46 -0.85 0.00 0.00 174.74 172.81 3bd0 s TRP 193 N 0.98 3.29 0.00 1.40 -0.00 -0.17 -4.67 118.94 119.76 3bd0 s TRP 193 Ca 0.09 0.23 0.00 0.00 -0.00 0.00 0.00 56.10 56.42 3bd0 s TRP 193 Cb -0.22 -1.90 0.00 0.00 -0.00 0.00 0.00 33.47 31.34 3bd0 s TRP 193 CO -0.02 0.44 0.00 0.41 -0.00 0.00 0.00 176.95 177.78 3bd0 n GLY 194 N 2.49 3.87 0.36 5.86 0.00 -0.06 -1.93 105.19 115.79 3bd0 n GLY 194 Ca -0.18 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.16 3bd0 n GLY 194 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3bd0 h GLN 195 N 0.00 1.24 -0.15 1.61 4.20 -1.80 -1.55 115.11 118.66 3bd0 h GLN 195 Ca 0.00 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.60 3bd0 h GLN 195 Cb 0.00 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 3bd0 h GLN 195 CO 0.00 0.91 0.32 0.07 -0.67 0.00 0.00 178.83 179.47 3bd0 h ARG 196 N 1.24 0.00 -0.01 1.46 0.11 -1.93 0.16 114.38 115.41 3bd0 h ARG 196 Ca 0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.39 3bd0 h ARG 196 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 3bd0 h ARG 196 CO -0.05 0.00 -0.20 1.19 0.10 0.00 0.00 179.97 181.02 3bd0 n PHE 197 N -3.29 0.00 -2.78 4.08 3.01 -0.66 -4.99 117.46 112.83 3bd0 n PHE 197 Ca 0.01 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.25 3bd0 n PHE 197 Cb 0.42 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.91 3bd0 n PHE 197 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3bd0 n ARG 198 N 0.27 -3.68 -3.68 -1.08 1.74 0.57 -4.97 116.66 105.84 3bd0 n ARG 198 Ca 0.08 0.96 -0.26 0.00 -0.77 0.00 0.00 57.85 57.85 3bd0 n ARG 198 Cb 0.36 -5.75 -0.17 0.00 -1.02 0.00 0.00 32.46 25.88 3bd0 n ARG 198 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3bd0 s TYR 199 N -3.13 0.55 -0.14 -1.55 5.04 -0.96 -5.01 117.35 112.14 3bd0 s TYR 199 Ca 0.19 -0.48 0.19 0.00 -2.44 0.00 0.00 57.07 54.53 3bd0 s TYR 199 Cb -0.08 -0.82 0.45 0.00 0.35 0.00 0.00 41.96 41.86 3bd0 s TYR 199 CO 0.23 -0.52 1.17 0.43 -1.34 0.00 0.00 175.55 175.53 3bd0 n SER 200 N 5.18 1.76 -4.72 4.32 7.64 -1.26 -0.88 113.62 125.66 3bd0 n SER 200 Ca -0.08 -2.69 -0.42 0.00 1.01 0.00 0.00 58.87 56.70 3bd0 n SER 200 Cb 0.48 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.26 3bd0 n SER 200 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bd0 n TYR 201 N -0.27 2.77 -3.52 1.43 9.36 -1.26 -4.98 117.16 120.68 3bd0 n TYR 201 Ca 0.14 0.11 -0.25 0.00 3.32 0.00 0.00 57.90 61.22 3bd0 n TYR 201 Cb 0.94 -2.65 -0.14 0.00 -0.63 0.00 0.00 39.34 36.87 3bd0 n TYR 201 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 3bd0 s TYR 202 N 0.80 0.10 -0.46 2.98 5.04 -1.26 -4.90 117.35 119.65 3bd0 s TYR 202 Ca 0.72 -0.57 -0.28 0.00 -2.44 0.00 0.00 57.07 54.50 3bd0 s TYR 202 Cb -0.51 -0.74 0.03 0.00 0.35 0.00 0.00 41.96 41.09 3bd0 s TYR 202 CO 0.37 -0.78 1.07 0.34 -1.34 0.00 0.00 175.55 175.21 3bd0 s ASP 203 N 2.17 6.61 0.34 4.32 3.68 -1.26 -4.91 116.67 127.63 3bd0 s ASP 203 Ca 0.08 0.40 0.18 0.00 2.13 0.00 0.00 52.55 55.34 3bd0 s ASP 203 Cb -0.16 -2.52 0.40 0.00 -1.45 0.00 0.00 42.92 39.20 3bd0 s ASP 203 CO -0.30 -1.17 1.60 -0.08 0.13 0.00 0.00 175.17 175.35 3bd0 h GLU 204 N 9.11 0.00 0.00 4.34 4.81 -1.98 -2.34 114.58 128.52 3bd0 h GLU 204 Ca -0.23 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3bd0 h GLU 204 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3bd0 h GLU 204 CO 1.09 0.39 0.00 -1.13 -0.73 0.00 0.00 179.01 178.63 3bd0 n SER 205 N -3.31 0.09 0.02 1.04 3.41 -1.26 -2.94 113.62 110.67 3bd0 n SER 205 Ca 0.01 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 3bd0 n SER 205 Cb 0.61 -0.55 0.19 0.00 -0.26 0.00 0.00 64.21 64.20 3bd0 n SER 205 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bd0 n GLN 206 N -1.61 0.13 0.00 4.33 1.13 -0.88 -5.05 117.38 115.43 3bd0 n GLN 206 Ca 0.02 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 3bd0 n GLN 206 Cb 0.11 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 28.89 3bd0 n GLN 206 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3bd0 n GLY 207 N 1.43 0.16 3.88 1.08 0.00 -1.15 -4.39 105.19 106.20 3bd0 n GLY 207 Ca 0.04 -1.38 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 3bd0 n GLY 207 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3bd0 s GLU 208 N 0.00 3.59 0.24 1.61 0.41 -1.26 -4.84 118.70 118.45 3bd0 s GLU 208 Ca 0.00 0.60 -0.06 0.00 -0.41 0.00 0.00 54.97 55.09 3bd0 s GLU 208 Cb 0.00 -2.17 0.42 0.00 -1.78 0.00 0.00 34.13 30.60 3bd0 s GLU 208 CO 0.00 -0.46 1.68 0.82 -0.49 0.00 0.00 175.26 176.82 3bd0 h ILE 209 N -0.13 0.52 -0.15 -1.63 2.04 -1.85 0.12 117.51 116.43 3bd0 h ILE 209 Ca -0.45 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3bd0 h ILE 209 Cb 1.19 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3bd0 h ILE 209 CO 0.62 0.04 0.08 0.10 0.00 0.00 0.00 178.15 179.00 3bd0 h TYR 210 N 0.25 0.19 0.02 1.37 -0.00 -1.74 0.97 116.97 118.02 3bd0 h TYR 210 Ca 0.39 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.92 3bd0 h TYR 210 Cb 0.65 -0.06 -0.02 0.00 0.00 0.00 0.00 36.73 37.30 3bd0 h TYR 210 CO -0.28 0.14 -0.93 0.00 -0.00 0.00 0.00 178.16 177.09 3bd0 h ARG 211 N 0.21 0.10 -0.45 0.10 3.08 -1.13 -2.00 114.38 114.29 3bd0 h ARG 211 Ca 0.05 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3bd0 h ARG 211 Cb 0.01 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3bd0 h ARG 211 CO -0.01 0.96 0.19 1.03 -1.07 0.00 0.00 179.97 181.06 3bd0 h SER 212 N 0.05 0.62 -0.61 7.04 0.87 -0.10 -0.97 113.55 120.45 3bd0 h SER 212 Ca -0.04 -0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.40 3bd0 h SER 212 Cb 1.61 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 63.36 3bd0 h SER 212 CO 0.13 0.62 0.36 0.40 -0.53 0.00 0.00 176.83 177.81 3bd0 h ILE 213 N 0.59 1.03 0.22 2.23 2.04 -0.84 0.37 117.51 123.15 3bd0 h ILE 213 Ca 0.15 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3bd0 h ILE 213 Cb 0.19 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3bd0 h ILE 213 CO -0.01 0.13 -0.11 -0.08 0.00 0.00 0.00 178.15 178.08 3bd0 h GLU 214 N 0.69 -0.29 -0.40 2.37 4.81 -1.06 0.11 114.58 120.81 3bd0 h GLU 214 Ca 0.26 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.58 3bd0 h GLU 214 Cb 0.08 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.45 3bd0 h GLU 214 CO -0.13 -0.15 -0.10 1.25 -0.73 0.00 0.00 179.01 179.15 3bd0 h HIS 215 N -0.35 -0.21 -0.58 0.92 2.76 -0.97 0.24 115.15 116.96 3bd0 h HIS 215 Ca -0.03 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.25 3bd0 h HIS 215 Cb 0.27 0.16 -0.06 0.00 1.55 0.00 0.00 27.41 29.32 3bd0 h HIS 215 CO -0.05 -0.17 0.25 1.25 -1.30 0.00 0.00 177.93 177.91 3bd0 h LEU 216 N -0.00 0.30 0.24 0.26 6.46 -0.56 -0.33 115.31 121.67 3bd0 h LEU 216 Ca 0.19 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 3bd0 h LEU 216 Cb 0.29 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 3bd0 h LEU 216 CO -0.41 0.19 -0.11 0.44 -0.62 0.00 0.00 178.44 177.93 3bd0 h ASP 217 N 0.46 -0.27 0.17 1.25 3.32 -0.07 -3.00 116.42 118.28 3bd0 h ASP 217 Ca 0.28 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3bd0 h ASP 217 Cb 0.28 0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.90 3bd0 h ASP 217 CO -0.25 0.15 0.00 0.11 -1.72 0.00 0.00 179.24 177.53 3bd0 h LYS 218 N -0.74 0.00 -0.08 3.56 1.57 -0.37 0.12 116.57 120.63 3bd0 h LYS 218 Ca -0.03 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 3bd0 h LYS 218 Cb 0.50 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.81 3bd0 h LYS 218 CO 0.05 0.00 -0.40 1.98 -0.57 0.00 0.00 179.45 180.52 3bd0 h MET 219 N 0.00 0.42 -0.12 3.15 4.05 -1.00 -1.61 114.93 119.82 3bd0 h MET 219 Ca 0.00 -0.34 -0.12 0.00 -0.28 0.00 0.00 59.70 58.97 3bd0 h MET 219 Cb 0.08 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3bd0 h MET 219 CO 0.00 0.97 -0.44 0.78 0.23 0.00 0.00 176.91 178.45 3bd0 h GLY 220 N -0.04 0.31 1.51 1.39 0.00 -1.01 -3.00 103.07 102.22 3bd0 h GLY 220 Ca -0.03 -0.31 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 3bd0 h GLY 220 CO 0.08 0.28 -0.33 -0.33 0.00 0.00 0.00 176.54 176.24 3bd0 h MET 221 N 0.23 0.55 -0.64 4.80 2.07 -0.79 -2.85 114.93 118.30 3bd0 h MET 221 Ca 0.02 -0.25 -0.04 0.00 -2.07 0.00 0.00 59.70 57.36 3bd0 h MET 221 Cb 0.88 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.57 3bd0 h MET 221 CO 0.07 0.81 0.24 1.03 1.07 0.00 0.00 176.91 180.14 3bd0 h SER 222 N 0.47 0.89 -0.31 1.22 0.87 -1.16 -1.76 113.55 113.78 3bd0 h SER 222 Ca 0.05 -0.18 -0.16 0.00 -1.23 0.00 0.00 61.79 60.28 3bd0 h SER 222 Cb 0.80 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 3bd0 h SER 222 CO 0.07 0.83 -0.43 0.40 -0.53 0.00 0.00 176.83 177.16 3bd0 h ILE 223 N 0.90 1.28 -0.52 2.23 2.04 -1.41 -2.59 117.51 119.44 3bd0 h ILE 223 Ca 0.21 -1.61 0.05 0.00 1.00 0.00 0.00 64.86 64.51 3bd0 h ILE 223 Cb 0.22 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 3bd0 h ILE 223 CO -0.02 0.53 0.26 0.40 0.00 0.00 0.00 178.15 179.32 3bd0 h ILE 224 N 0.61 0.95 0.00 -0.67 2.04 -1.32 -0.43 117.51 118.68 3bd0 h ILE 224 Ca 0.03 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3bd0 h ILE 224 Cb 1.03 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3bd0 h ILE 224 CO 0.10 0.09 0.04 -0.33 0.00 0.00 0.00 178.15 178.05 3bd0 h GLU 225 N 0.50 0.00 -0.01 2.37 5.08 -0.96 0.42 114.58 121.98 3bd0 h GLU 225 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3bd0 h GLU 225 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3bd0 h GLU 225 CO -0.16 0.00 -0.05 1.04 -1.00 0.00 0.00 179.01 178.84 3bd0 n GLN 226 N -2.84 1.34 -3.74 2.33 6.02 -0.19 -4.49 117.38 115.82 3bd0 n GLN 226 Ca -0.02 -0.67 -0.25 0.00 -0.01 0.00 0.00 57.00 56.04 3bd0 n GLN 226 Cb 0.10 -1.49 0.05 0.00 1.02 0.00 0.00 30.24 29.92 3bd0 n GLN 226 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3bd0 n LEU 227 N -0.25 -3.05 -4.00 1.08 4.77 0.15 -4.96 117.00 110.73 3bd0 n LEU 227 Ca 0.18 -0.71 -0.31 0.00 -0.03 0.00 0.00 56.01 55.14 3bd0 n LEU 227 Cb 0.31 -2.77 -0.15 0.00 -2.33 0.00 0.00 43.42 38.48 3bd0 n LEU 227 CO 0.19 0.50 -0.33 -0.62 -1.33 0.00 0.00 177.39 175.79 3bd0 s ASP 228 N -3.65 4.72 0.16 -1.43 -1.08 -1.23 -4.67 116.67 109.49 3bd0 s ASP 228 Ca 0.43 -2.12 -0.12 0.00 -0.52 0.00 0.00 52.55 50.22 3bd0 s ASP 228 Cb -0.21 -1.59 0.03 0.00 -1.46 0.00 0.00 42.92 39.70 3bd0 s ASP 228 CO 0.79 -0.38 1.62 1.55 0.52 0.00 0.00 175.17 179.27 3bd0 h PRO 229 N 7.64 0.90 0.01 4.34 0.13 -1.91 -2.38 132.00 140.73 3bd0 h PRO 229 Ca -0.05 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3bd0 h PRO 229 Cb 1.02 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 3bd0 h PRO 229 CO 0.52 0.91 -0.01 0.28 -0.23 0.00 0.00 178.00 179.46 3bd0 h VAL 230 N 0.77 0.97 -0.49 1.56 2.07 -1.97 0.65 116.25 119.81 3bd0 h VAL 230 Ca 0.15 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 3bd0 h VAL 230 Cb 0.48 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3bd0 h VAL 230 CO 0.02 0.00 0.15 -1.28 0.02 0.00 0.00 177.57 176.48 3bd0 h SER 231 N -0.02 0.66 -0.15 0.57 0.87 -1.97 -0.41 113.55 113.09 3bd0 h SER 231 Ca 0.00 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 3bd0 h SER 231 Cb 0.02 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.81 3bd0 h SER 231 CO -0.00 0.63 -0.02 0.15 -0.53 0.00 0.00 176.83 177.06 3bd0 h PHE 232 N 0.70 0.30 -0.90 2.24 3.57 -1.14 0.01 116.94 121.73 3bd0 h PHE 232 Ca 0.16 -0.06 0.17 0.00 3.53 0.00 0.00 57.97 61.77 3bd0 h PHE 232 Cb 0.21 -0.08 -0.10 0.00 2.79 0.00 0.00 35.95 38.77 3bd0 h PHE 232 CO 0.01 0.53 0.48 1.03 -2.23 0.00 0.00 178.31 178.13 3bd0 h SER 233 N -0.01 0.58 -0.24 0.41 0.87 -0.46 -0.67 113.55 114.02 3bd0 h SER 233 Ca 0.04 0.10 -0.15 0.00 -1.23 0.00 0.00 61.79 60.55 3bd0 h SER 233 Cb 0.42 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3bd0 h SER 233 CO 0.01 0.21 -0.38 0.78 -0.53 0.00 0.00 176.83 176.92 3bd0 h ASN 234 N 0.64 0.83 -1.01 6.23 2.35 -0.78 -1.81 115.58 122.04 3bd0 h ASN 234 Ca 0.51 -0.37 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3bd0 h ASN 234 Cb 0.77 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.85 3bd0 h ASN 234 CO -0.39 1.11 0.66 0.22 -1.65 0.00 0.00 177.43 177.39 3bd0 h TYR 235 N 0.64 1.24 -0.49 1.19 3.20 -0.29 -1.04 116.97 121.42 3bd0 h TYR 235 Ca 0.06 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.83 3bd0 h TYR 235 Cb 0.94 -0.41 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 3bd0 h TYR 235 CO 0.05 0.72 -0.20 -0.07 -1.64 0.00 0.00 178.16 177.02 3bd0 h LEU 236 N 1.29 1.02 -1.43 2.82 3.38 -0.68 -2.48 115.31 119.22 3bd0 h LEU 236 Ca 0.40 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3bd0 h LEU 236 Cb -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3bd0 h LEU 236 CO -0.12 1.18 -0.17 0.11 0.09 0.00 0.00 178.44 179.53 3bd0 h LYS 237 N 0.85 0.16 0.12 1.13 1.57 -0.98 0.11 116.57 119.54 3bd0 h LYS 237 Ca 0.11 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.64 3bd0 h LYS 237 Cb 0.78 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 33.09 3bd0 h LYS 237 CO 0.06 0.34 -0.91 -0.22 -0.57 0.00 0.00 179.45 178.16 3bd0 h LYS 238 N 0.16 0.39 -0.00 3.15 3.64 -0.90 -3.40 116.57 119.61 3bd0 h LYS 238 Ca 0.03 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 3bd0 h LYS 238 Cb 0.39 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3bd0 h LYS 238 CO 0.03 1.26 -0.02 0.66 -2.27 0.00 0.00 179.45 179.10 3bd0 n TYR 239 N -4.05 0.00 -3.74 1.91 4.01 -0.96 -5.02 117.16 109.31 3bd0 n TYR 239 Ca -0.13 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.32 3bd0 n TYR 239 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.86 3bd0 n TYR 239 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3bd0 n HIS 240 N -0.74 -1.79 -1.66 -0.72 8.25 0.39 -4.85 115.22 114.11 3bd0 n HIS 240 Ca 0.00 0.61 -0.45 0.00 -0.26 0.00 0.00 57.72 57.62 3bd0 n HIS 240 Cb 0.01 -2.88 -0.03 0.00 1.12 0.00 0.00 29.99 28.21 3bd0 n HIS 240 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3bd0 n ASN 241 N -2.43 2.53 -3.55 0.41 2.85 -1.26 -4.82 115.26 108.98 3bd0 n ASN 241 Ca 0.03 1.15 -0.41 0.00 -0.11 0.00 0.00 54.58 55.24 3bd0 n ASN 241 Cb 0.51 -1.40 -0.01 0.00 1.24 0.00 0.00 39.78 40.12 3bd0 n ASN 241 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 3bd0 n THR 242 N 1.63 3.85 -3.11 -0.44 -2.24 -1.26 -4.89 114.28 107.82 3bd0 n THR 242 Ca 0.11 -2.86 -0.43 0.00 -2.27 0.00 0.00 64.05 58.60 3bd0 n THR 242 Cb 0.31 -2.61 -0.06 0.00 -2.10 0.00 0.00 70.33 65.87 3bd0 n THR 242 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3bd0 s ILE 243 N 2.69 4.81 0.32 2.28 1.01 -1.26 -3.41 121.20 127.64 3bd0 s ILE 243 Ca 0.57 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 61.15 3bd0 s ILE 243 Cb 0.16 -4.26 0.18 0.00 0.01 0.00 0.00 42.46 38.55 3bd0 s ILE 243 CO -0.08 -0.71 1.89 0.00 0.00 0.00 0.00 174.94 176.05 3bd0 n GLY 245 N -1.00 3.30 0.30 0.00 0.00 -1.26 -4.52 105.19 102.01 3bd0 n GLY 245 Ca 0.03 -0.59 0.18 0.00 0.00 0.00 0.00 46.02 45.64 3bd0 n GLY 245 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3bd0 h ARG 246 N 0.61 0.00 0.00 1.61 0.11 -1.78 -1.60 114.38 113.34 3bd0 h ARG 246 Ca 0.30 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.23 3bd0 h ARG 246 Cb 1.73 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.79 3bd0 h ARG 246 CO 0.55 0.03 -0.82 0.45 0.10 0.00 0.00 179.97 180.27 3bd0 h HIS 247 N 0.00 0.00 -0.86 4.08 3.86 -1.87 -2.56 115.15 117.80 3bd0 h HIS 247 Ca -0.00 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.43 3bd0 h HIS 247 Cb 0.11 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.45 3bd0 h HIS 247 CO 0.00 1.19 0.28 -1.35 0.86 0.00 0.00 177.93 178.91 3bd0 h PRO 248 N -1.00 0.27 -0.76 2.45 0.11 -1.88 0.18 132.00 131.38 3bd0 h PRO 248 Ca -0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3bd0 h PRO 248 Cb 1.12 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 3bd0 h PRO 248 CO -0.13 0.18 0.48 0.82 -0.21 0.00 0.00 178.00 179.14 3bd0 h ILE 249 N 0.28 1.21 -0.30 4.15 2.04 -1.41 0.18 117.51 123.66 3bd0 h ILE 249 Ca 0.53 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 66.02 3bd0 h ILE 249 Cb 1.02 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 3bd0 h ILE 249 CO -0.59 0.21 0.03 1.23 0.00 0.00 0.00 178.15 179.03 3bd0 h GLY 250 N 1.04 0.32 0.57 5.37 0.00 -0.54 -0.36 103.07 109.45 3bd0 h GLY 250 Ca 0.28 0.01 0.04 0.00 0.00 0.00 0.00 47.33 47.66 3bd0 h GLY 250 CO -0.06 -0.04 -0.07 -2.08 0.00 0.00 0.00 176.54 174.30 3bd0 h VAL 251 N 0.12 0.76 -0.10 4.60 2.07 0.03 -1.61 116.25 122.13 3bd0 h VAL 251 Ca 0.14 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.70 3bd0 h VAL 251 Cb 0.17 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3bd0 h VAL 251 CO -0.22 0.00 -0.16 0.25 0.02 0.00 0.00 177.57 177.46 3bd0 h LEU 252 N -0.03 -0.50 -1.22 2.57 5.85 -0.63 -0.95 115.31 120.41 3bd0 h LEU 252 Ca 0.10 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3bd0 h LEU 252 Cb 0.18 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3bd0 h LEU 252 CO -0.22 -0.21 0.04 -0.07 -0.34 0.00 0.00 178.44 177.63 3bd0 h LEU 253 N -0.22 0.53 -0.29 2.25 3.38 -0.72 0.15 115.31 120.40 3bd0 h LEU 253 Ca 0.08 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 3bd0 h LEU 253 Cb 0.34 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3bd0 h LEU 253 CO -0.23 0.58 -0.62 0.78 0.09 0.00 0.00 178.44 179.05 3bd0 h ASN 254 N 0.55 0.92 -1.01 -0.43 2.35 -0.94 -1.61 115.58 115.42 3bd0 h ASN 254 Ca 0.12 -0.53 0.03 0.00 -0.55 0.00 0.00 56.30 55.38 3bd0 h ASN 254 Cb 0.30 -0.27 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 3bd0 h ASN 254 CO 0.01 1.32 0.66 0.00 -1.65 0.00 0.00 177.43 177.76 3bd0 h ALA 255 N 0.69 1.32 -0.45 -0.83 0.00 -0.32 -1.38 119.26 118.29 3bd0 h ALA 255 Ca -0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3bd0 h ALA 255 Cb 1.22 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3bd0 h ALA 255 CO 0.13 0.58 0.01 0.82 0.00 0.00 0.00 179.25 180.79 3bd0 h ILE 256 N 1.29 1.26 -0.19 0.00 2.04 -0.42 -2.61 117.51 118.88 3bd0 h ILE 256 Ca 0.39 -1.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.13 3bd0 h ILE 256 Cb -0.03 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3bd0 h ILE 256 CO -0.12 0.36 -0.29 0.74 0.00 0.00 0.00 178.15 178.84 3bd0 h THR 257 N 0.63 1.27 -0.41 -0.27 2.02 -0.98 -1.48 112.91 113.69 3bd0 h THR 257 Ca 0.13 -1.30 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 3bd0 h THR 257 Cb 0.49 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3bd0 h THR 257 CO 0.02 0.40 0.08 -0.08 0.37 0.00 0.00 175.52 176.32 3bd0 h GLU 258 N 0.33 0.62 0.01 6.66 4.57 -1.00 -1.70 114.58 124.07 3bd0 h GLU 258 Ca 0.05 -0.11 -0.21 0.00 -1.18 0.00 0.00 59.36 57.91 3bd0 h GLU 258 Cb 0.69 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.15 3bd0 h GLU 258 CO 0.05 0.58 -0.97 -0.07 -1.18 0.00 0.00 179.01 177.42 3bd0 h LEU 259 N 0.60 0.04 -1.13 1.64 3.38 -1.08 -3.22 115.31 115.54 3bd0 h LEU 259 Ca 0.14 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3bd0 h LEU 259 Cb 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3bd0 h LEU 259 CO -0.00 0.99 0.12 1.56 0.09 0.00 0.00 178.44 181.20 3bd0 h GLN 260 N 0.01 0.73 -0.01 1.13 4.20 -0.57 -1.81 115.11 118.79 3bd0 h GLN 260 Ca -0.02 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3bd0 h GLN 260 Cb 1.71 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 29.37 3bd0 h GLN 260 CO 0.13 0.66 0.15 0.87 -0.67 0.00 0.00 178.83 179.98 3bd0 h LYS 261 N 0.71 0.00 -0.30 1.46 1.57 -1.34 -1.96 116.57 116.70 3bd0 h LYS 261 Ca 0.16 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 3bd0 h LYS 261 Cb 0.26 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 3bd0 h LYS 261 CO -0.00 0.00 -0.02 0.09 -0.57 0.00 0.00 179.45 178.95 3bd0 n ASN 262 N -3.05 3.19 0.00 0.86 3.02 -0.70 -4.95 115.26 113.64 3bd0 n ASN 262 Ca -0.02 -3.36 0.00 0.00 -0.03 0.00 0.00 54.58 51.16 3bd0 n ASN 262 Cb 0.22 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 3bd0 n ASN 262 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bd0 n GLY 263 N -0.84 0.88 3.77 7.41 0.00 -0.74 -5.02 105.19 110.64 3bd0 n GLY 263 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 3bd0 n GLY 263 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bd0 s MET 264 N -0.18 4.32 -0.19 1.61 -1.94 -1.10 -5.02 119.30 116.79 3bd0 s MET 264 Ca 0.00 2.09 -0.05 0.00 -1.71 0.00 0.00 55.69 56.01 3bd0 s MET 264 Cb 0.00 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.81 3bd0 s MET 264 CO 0.00 -0.17 0.01 -0.80 -0.01 0.00 0.00 175.02 174.04 3bd0 s ASN 265 N -0.67 4.93 -0.00 3.03 -0.87 -1.26 -4.42 114.94 115.68 3bd0 s ASN 265 Ca 0.50 -0.16 -0.02 0.00 -1.57 0.00 0.00 52.86 51.62 3bd0 s ASN 265 Cb -0.37 -1.84 -0.00 0.00 -0.02 0.00 0.00 41.25 39.02 3bd0 s ASN 265 CO 0.48 0.09 0.04 -0.04 -2.57 0.00 0.00 177.10 175.10 3bd0 s MET 266 N 0.86 0.18 -0.03 -0.60 -1.94 -1.26 -1.15 119.30 115.36 3bd0 s MET 266 Ca 0.01 -0.19 0.05 0.00 -1.71 0.00 0.00 55.69 53.85 3bd0 s MET 266 Cb -0.14 0.07 -0.01 0.00 2.01 0.00 0.00 34.83 36.76 3bd0 s MET 266 CO 0.02 -0.03 -0.19 -1.54 -0.01 0.00 0.00 175.02 173.27 3bd0 s SER 267 N -0.59 2.32 -0.09 3.03 1.04 -0.64 -4.99 113.70 113.77 3bd0 s SER 267 Ca -0.07 -0.37 -0.03 0.00 0.48 0.00 0.00 55.95 55.97 3bd0 s SER 267 Cb -0.04 -0.44 -0.03 0.00 0.10 0.00 0.00 66.02 65.60 3bd0 s SER 267 CO -0.00 0.21 0.02 0.12 0.98 0.00 0.00 173.24 174.57 3bd0 s PHE 268 N -0.24 3.22 -0.04 5.02 5.36 -1.26 -1.04 117.98 128.99 3bd0 s PHE 268 Ca 0.02 0.23 0.01 0.00 -0.96 0.00 0.00 56.93 56.23 3bd0 s PHE 268 Cb -0.10 -1.82 0.02 0.00 -0.34 0.00 0.00 43.02 40.79 3bd0 s PHE 268 CO 0.01 0.49 -0.03 -1.12 -1.46 0.00 0.00 175.22 173.10 3bd0 s SER 269 N -0.84 0.91 0.23 6.13 0.01 -0.73 -4.68 113.70 114.73 3bd0 s SER 269 Ca 0.13 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 56.98 3bd0 s SER 269 Cb -0.11 -0.41 -0.09 0.00 0.21 0.00 0.00 66.02 65.62 3bd0 s SER 269 CO 0.02 -0.07 1.05 -0.36 0.41 0.00 0.00 173.24 174.29 3bd0 s PHE 270 N 1.02 3.71 -0.07 2.43 0.08 -1.26 -1.14 117.98 122.76 3bd0 s PHE 270 Ca -0.09 1.74 0.10 0.00 0.12 0.00 0.00 56.93 58.80 3bd0 s PHE 270 Cb -0.14 -3.19 -0.15 0.00 -0.57 0.00 0.00 43.02 38.97 3bd0 s PHE 270 CO -0.01 -0.25 0.24 1.28 -0.10 0.00 0.00 175.22 176.39 3bd0 n LEU 271 N 1.65 0.05 -3.54 -0.37 7.99 0.28 -4.93 117.00 118.14 3bd0 n LEU 271 Ca -0.00 -0.06 -0.14 0.00 -0.01 0.00 0.00 56.01 55.80 3bd0 n LEU 271 Cb 0.46 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.72 3bd0 n LEU 271 CO 0.53 0.01 0.59 0.21 -1.51 0.00 0.00 177.39 177.22 3bd0 s ASN 272 N -3.01 -0.52 -0.02 -1.43 2.47 -1.16 -5.01 114.94 106.27 3bd0 s ASN 272 Ca -0.03 0.52 0.00 0.00 0.42 0.00 0.00 52.86 53.78 3bd0 s ASN 272 Cb 0.07 0.43 0.02 0.00 -1.45 0.00 0.00 41.25 40.32 3bd0 s ASN 272 CO 0.41 -0.51 0.00 -0.47 -3.72 0.00 0.00 177.10 172.81 3bd0 s TYR 273 N -1.36 0.18 0.06 0.43 6.14 -1.26 -1.60 117.35 119.95 3bd0 s TYR 273 Ca -0.06 0.03 -0.05 0.00 0.64 0.00 0.00 57.07 57.63 3bd0 s TYR 273 Cb -0.00 -0.26 -0.02 0.00 0.42 0.00 0.00 41.96 42.10 3bd0 s TYR 273 CO 0.05 -0.08 0.07 0.00 0.64 0.00 0.00 175.55 176.23 3bd0 s ALA 274 N 0.68 0.13 -0.02 3.97 0.00 0.87 -5.00 121.76 122.38 3bd0 s ALA 274 Ca -0.06 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.10 3bd0 s ALA 274 Cb -0.09 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 3bd0 s ALA 274 CO -0.02 -0.40 -0.17 -0.65 0.00 0.00 0.00 175.76 174.53 3bd0 s GLN 275 N -3.55 1.46 0.36 0.00 -0.21 -1.26 -0.11 119.66 116.34 3bd0 s GLN 275 Ca 0.03 -0.60 0.08 0.00 0.02 0.00 0.00 55.36 54.89 3bd0 s GLN 275 Cb 0.05 -1.37 0.78 0.00 1.00 0.00 0.00 33.01 33.46 3bd0 s GLN 275 CO -0.09 0.33 1.91 0.66 -2.12 0.00 0.00 175.29 175.98 3bd0 h SER 276 N 5.87 0.66 -5.05 5.90 4.64 -1.49 -3.45 113.55 120.63 3bd0 h SER 276 Ca -0.35 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 60.97 3bd0 h SER 276 Cb 1.16 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 3bd0 h SER 276 CO 0.48 0.38 0.21 -0.94 -0.87 0.00 0.00 176.83 176.09 3bd0 s SER 277 N -5.97 0.01 -0.38 4.97 1.04 -1.26 -4.99 113.70 107.12 3bd0 s SER 277 Ca -0.10 -1.03 -0.06 0.00 0.48 0.00 0.00 55.95 55.24 3bd0 s SER 277 Cb 0.21 0.80 0.08 0.00 0.10 0.00 0.00 66.02 67.20 3bd0 s SER 277 CO 0.78 -1.56 0.18 -1.10 0.98 0.00 0.00 173.24 172.52 3bd0 s GLN 278 N -2.83 2.42 0.16 4.02 -0.21 -1.26 -4.82 119.66 117.14 3bd0 s GLN 278 Ca 0.16 -1.48 -0.31 0.00 0.02 0.00 0.00 55.36 53.74 3bd0 s GLN 278 Cb -0.05 -3.58 -0.10 0.00 1.00 0.00 0.00 33.01 30.28 3bd0 s GLN 278 CO 0.11 -0.88 1.61 0.00 -2.12 0.00 0.00 175.29 174.01 3bd0 n ARG 280 N 4.27 2.62 -4.62 0.00 1.74 -1.26 -1.92 116.66 117.49 3bd0 n ARG 280 Ca 0.15 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.94 3bd0 n ARG 280 Cb 0.38 -0.85 -0.09 0.00 -1.02 0.00 0.00 32.46 30.88 3bd0 n ARG 280 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3bd0 s ASN 281 N -2.22 3.47 0.49 0.55 -0.87 -1.26 -4.71 114.94 110.39 3bd0 s ASN 281 Ca 0.00 -1.56 0.32 0.00 -1.57 0.00 0.00 52.86 50.05 3bd0 s ASN 281 Cb 0.00 0.24 1.28 0.00 -0.02 0.00 0.00 41.25 42.75 3bd0 s ASN 281 CO 0.00 -0.76 1.93 -0.50 -2.57 0.00 0.00 177.10 175.20 3bd0 h TRP 282 N 1.66 0.00 -0.00 2.20 4.06 -2.03 -2.54 115.95 119.30 3bd0 h TRP 282 Ca -0.41 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.54 3bd0 h TRP 282 Cb 1.28 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.44 3bd0 h TRP 282 CO 1.22 0.00 -0.33 0.00 -3.56 0.00 0.00 178.44 175.77 3bd0 n GLN 283 N -2.92 0.10 -1.68 0.49 0.00 -1.26 -4.49 117.38 107.61 3bd0 n GLN 283 Ca 0.01 -0.04 -0.32 0.00 0.00 0.00 0.00 57.00 56.65 3bd0 n GLN 283 Cb 0.29 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 29.08 3bd0 n GLN 283 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3bd0 s ASP 284 N -2.93 5.31 -0.04 2.61 1.01 -0.96 -4.97 116.67 116.70 3bd0 s ASP 284 Ca 0.14 1.76 -0.24 0.00 0.71 0.00 0.00 52.55 54.91 3bd0 s ASP 284 Cb 0.18 -2.52 0.05 0.00 1.01 0.00 0.00 42.92 41.64 3bd0 s ASP 284 CO 0.63 -1.49 0.53 -0.94 0.21 0.00 0.00 175.17 174.11 3bd0 s SER 285 N -3.28 -0.47 0.22 0.27 1.04 -1.26 -4.57 113.70 105.65 3bd0 s SER 285 Ca 0.61 0.48 -0.13 0.00 0.48 0.00 0.00 55.95 57.39 3bd0 s SER 285 Cb -0.16 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3bd0 s SER 285 CO 0.48 -0.53 0.46 -0.94 0.98 0.00 0.00 173.24 173.69 3bd0 s SER 286 N -1.19 -0.11 -0.05 7.02 1.04 -0.81 -4.79 113.70 114.81 3bd0 s SER 286 Ca -0.12 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 55.54 3bd0 s SER 286 Cb -0.02 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3bd0 s SER 286 CO 0.07 -1.08 -0.17 -0.69 0.98 0.00 0.00 173.24 172.36 3bd0 s VAL 287 N -3.97 1.44 0.10 5.02 1.01 -1.26 -1.00 120.40 121.74 3bd0 s VAL 287 Ca 0.18 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 3bd0 s VAL 287 Cb -0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 3bd0 s VAL 287 CO 0.05 0.42 0.34 -0.44 0.00 0.00 0.00 175.10 175.47 3bd0 s SER 288 N 0.20 6.50 -0.04 3.32 0.01 0.53 -1.18 113.70 123.03 3bd0 s SER 288 Ca -0.08 0.58 0.01 0.00 1.31 0.00 0.00 55.95 57.77 3bd0 s SER 288 Cb -0.13 -2.09 0.02 0.00 0.21 0.00 0.00 66.02 64.03 3bd0 s SER 288 CO 0.03 0.11 -0.05 -0.31 0.41 0.00 0.00 173.24 173.43 3bd0 s TYR 289 N -1.55 0.80 0.05 2.43 2.02 0.84 0.00 117.35 121.95 3bd0 s TYR 289 Ca 0.37 -0.23 0.06 0.00 -0.37 0.00 0.00 57.07 56.90 3bd0 s TYR 289 Cb -0.13 -0.69 -0.02 0.00 -0.40 0.00 0.00 41.96 40.72 3bd0 s TYR 289 CO 0.23 -0.19 -0.16 0.00 -1.57 0.00 0.00 175.55 173.85 3bd0 s ALA 290 N 0.86 1.36 -0.05 3.71 0.00 -1.26 -0.09 121.76 126.28 3bd0 s ALA 290 Ca -0.12 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 50.93 3bd0 s ALA 290 Cb -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.77 3bd0 s ALA 290 CO 0.01 0.26 -0.14 0.00 0.00 0.00 0.00 175.76 175.89 3bd0 s ALA 291 N -0.94 1.32 0.09 0.00 0.00 -0.63 -4.03 121.76 117.59 3bd0 s ALA 291 Ca 0.03 -0.52 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 3bd0 s ALA 291 Cb -0.09 -0.51 0.01 0.00 0.00 0.00 0.00 23.12 22.54 3bd0 s ALA 291 CO 0.02 0.19 0.27 0.20 0.00 0.00 0.00 175.76 176.44 3bd0 s GLY 292 N 0.33 -0.05 0.03 0.00 0.00 -0.53 0.10 107.32 107.20 3bd0 s GLY 292 Ca -0.09 -0.36 0.06 0.00 0.00 0.00 0.00 44.72 44.34 3bd0 s GLY 292 CO 0.03 -0.57 -0.17 0.00 0.00 0.00 0.00 173.10 172.38 3bd0 s ALA 293 N -3.67 1.46 -0.12 3.20 0.00 -0.29 -0.35 121.76 121.98 3bd0 s ALA 293 Ca 0.03 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 50.98 3bd0 s ALA 293 Cb 0.03 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 3bd0 s ALA 293 CO -0.10 0.32 0.27 -1.17 0.00 0.00 0.00 175.76 175.08 3bd0 s LEU 294 N -0.93 4.32 -0.06 0.00 2.96 0.11 -1.78 118.68 123.30 3bd0 s LEU 294 Ca 0.05 0.57 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 3bd0 s LEU 294 Cb -0.08 -2.33 0.01 0.00 0.50 0.00 0.00 46.19 44.29 3bd0 s LEU 294 CO 0.01 0.22 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.26 3bd0 s THR 295 N -0.17 1.04 0.24 3.68 2.01 -0.21 -0.87 115.64 121.36 3bd0 s THR 295 Ca 0.17 -0.42 -0.12 0.00 0.31 0.00 0.00 61.69 61.63 3bd0 s THR 295 Cb -0.13 -0.96 -0.08 0.00 0.01 0.00 0.00 72.50 71.34 3bd0 s THR 295 CO 0.05 0.33 0.59 -0.69 -0.69 0.00 0.00 174.62 174.22 3bd0 s VAL 296 N 0.71 4.86 0.00 3.82 1.01 -1.26 -1.63 120.40 127.91 3bd0 s VAL 296 Ca -0.14 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.48 3bd0 s VAL 296 Cb -0.16 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3bd0 s VAL 296 CO 0.03 -0.04 0.27 1.41 0.00 0.00 0.00 175.10 176.77