#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m18 h GLU 4 N 7.70 0.03 0.00 0.00 4.57 -2.00 -3.30 114.58 121.58 3m18 h GLU 4 Ca -0.28 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 3m18 h GLU 4 Cb 1.12 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3m18 h GLU 4 CO 0.93 0.28 0.00 2.41 -1.18 0.00 0.00 179.01 181.45 3m18 n THR 5 N -4.23 0.00 -3.84 0.32 -1.04 -1.26 -4.88 114.28 99.36 3m18 n THR 5 Ca -0.02 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.19 3m18 n THR 5 Cb 0.31 1.00 -0.15 0.00 -1.82 0.00 0.00 70.33 69.68 3m18 n THR 5 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3m18 s VAL 6 N -0.74 1.41 0.11 12.58 1.01 -1.24 -4.09 120.40 129.44 3m18 s VAL 6 Ca 0.00 -1.79 -0.31 0.00 0.00 0.00 0.00 61.98 59.88 3m18 s VAL 6 Cb 0.00 -2.05 -0.09 0.00 0.00 0.00 0.00 36.38 34.23 3m18 s VAL 6 CO 0.00 -0.66 1.69 -0.89 0.00 0.00 0.00 175.10 175.24 3m18 s THR 7 N 1.31 2.74 0.00 3.92 2.01 -1.26 -2.47 115.64 121.88 3m18 s THR 7 Ca 0.11 0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.42 3m18 s THR 7 Cb -0.18 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.12 3m18 s THR 7 CO -0.18 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.37 3m18 n GLY 8 N 4.01 0.67 3.95 4.40 0.00 -1.26 -5.02 105.19 111.95 3m18 n GLY 8 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.99 3m18 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m18 s THR 10 N -2.22 3.93 0.08 0.00 -4.23 0.19 -1.66 115.64 111.74 3m18 s THR 10 Ca 0.44 -1.21 0.02 0.00 -1.18 0.00 0.00 61.69 59.77 3m18 s THR 10 Cb -0.08 -2.94 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 3m18 s THR 10 CO 0.30 -0.02 -0.07 0.00 -0.54 0.00 0.00 174.62 174.29 3m18 s ASN 12 N -2.57 3.58 0.43 0.00 3.84 -0.51 -4.34 114.94 115.38 3m18 s ASN 12 Ca 0.05 -2.00 0.13 0.00 0.21 0.00 0.00 52.86 51.25 3m18 s ASN 12 Cb 0.00 -0.71 0.94 0.00 -0.55 0.00 0.00 41.25 40.93 3m18 s ASN 12 CO -0.03 -0.35 1.97 -0.33 -2.79 0.00 0.00 177.10 175.57 3m18 h GLU 13 N 7.49 0.07 0.02 0.43 5.08 -1.96 0.24 114.58 125.95 3m18 h GLU 13 Ca -0.06 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3m18 h GLU 13 Cb 0.98 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3m18 h GLU 13 CO 0.42 0.24 -0.01 0.78 -1.00 0.00 0.00 179.01 179.43 3m18 h GLY 14 N 0.60 -0.03 0.34 -3.84 0.00 -1.95 -2.83 103.07 95.37 3m18 h GLY 14 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3m18 h GLY 14 CO 0.02 -0.01 0.00 0.28 0.00 0.00 0.00 176.54 176.83 3m18 n LYS 15 N -5.01 1.28 -3.64 4.80 5.02 -0.83 -4.92 118.16 114.86 3m18 n LYS 15 Ca -0.08 -0.41 -0.23 0.00 -2.02 0.00 0.00 58.31 55.57 3m18 n LYS 15 Cb 0.13 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.72 3m18 n LYS 15 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3m18 n LYS 16 N -0.48 -6.56 -4.74 1.97 4.76 0.74 -4.70 118.16 109.15 3m18 n LYS 16 Ca 0.21 0.75 -0.33 0.00 -2.87 0.00 0.00 58.31 56.07 3m18 n LYS 16 Cb 0.21 -5.67 -0.13 0.00 -1.84 0.00 0.00 35.03 27.60 3m18 n LYS 16 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3m18 s GLU 17 N -6.07 2.90 -0.13 1.97 2.02 -0.58 -0.57 118.70 118.24 3m18 s GLU 17 Ca 0.34 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.70 3m18 s GLU 17 Cb -0.16 -2.55 0.02 0.00 0.10 0.00 0.00 34.13 31.54 3m18 s GLU 17 CO 0.77 0.50 -0.12 0.08 0.02 0.00 0.00 175.26 176.51 3m18 s VAL 18 N -0.39 1.37 -0.23 2.63 1.01 -0.22 -1.42 120.40 123.15 3m18 s VAL 18 Ca 0.05 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3m18 s VAL 18 Cb -0.12 -1.31 0.05 0.00 0.00 0.00 0.00 36.38 35.00 3m18 s VAL 18 CO 0.02 0.42 -0.13 -0.62 0.00 0.00 0.00 175.10 174.79 3m18 s ASP 19 N 1.48 3.90 0.00 3.32 2.15 0.56 -1.09 116.67 127.00 3m18 s ASP 19 Ca 0.03 -1.11 0.04 0.00 0.43 0.00 0.00 52.55 51.94 3m18 s ASP 19 Cb -0.13 -1.47 0.09 0.00 -0.30 0.00 0.00 42.92 41.11 3m18 s ASP 19 CO -0.08 -0.13 0.99 0.00 -0.17 0.00 0.00 175.17 175.77 3m18 n GLN 21 N -0.06 1.54 -0.94 0.00 7.27 -1.22 -1.15 117.38 122.83 3m18 n GLN 21 Ca 0.04 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.66 3m18 n GLN 21 Cb 0.27 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 30.81 3m18 n GLN 21 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3m18 n GLY 22 N 2.05 0.33 3.72 1.69 0.00 -0.79 -5.01 105.19 107.18 3m18 n GLY 22 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 3m18 n GLY 22 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m18 s LYS 23 N -0.83 4.31 -0.19 1.61 2.20 -0.30 -4.94 119.74 121.60 3m18 s LYS 23 Ca 0.00 0.32 -0.28 0.00 -0.36 0.00 0.00 55.97 55.65 3m18 s LYS 23 Cb 0.00 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 3m18 s LYS 23 CO 0.00 0.18 2.11 -1.12 -0.36 0.00 0.00 175.35 176.16 3m18 s SER 24 N 0.58 5.69 -0.11 1.43 0.01 -1.26 -4.26 113.70 115.77 3m18 s SER 24 Ca 0.22 1.94 -0.04 0.00 1.31 0.00 0.00 55.95 59.39 3m18 s SER 24 Cb -0.14 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 3m18 s SER 24 CO 0.08 -1.77 0.03 -0.76 0.41 0.00 0.00 173.24 171.23 3m18 s LEU 25 N 7.44 3.74 0.01 2.44 1.43 0.48 -4.98 118.68 129.23 3m18 s LEU 25 Ca 0.95 0.17 0.23 0.00 -1.03 0.00 0.00 54.13 54.45 3m18 s LEU 25 Cb -0.33 -1.88 0.13 0.00 0.03 0.00 0.00 46.19 44.14 3m18 s LEU 25 CO 0.36 0.33 1.14 0.47 0.23 0.00 0.00 176.35 178.88 3m18 n ASP 26 N 2.46 0.71 -3.62 2.29 8.00 -1.26 -4.54 116.55 120.60 3m18 n ASP 26 Ca -0.18 -0.54 -0.00 0.00 0.71 0.00 0.00 54.79 54.77 3m18 n ASP 26 Cb 0.54 0.65 -0.01 0.00 -0.02 0.00 0.00 41.12 42.28 3m18 n ASP 26 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3m18 s SER 27 N -3.16 -0.08 -0.01 -2.24 0.01 -1.26 -5.05 113.70 101.92 3m18 s SER 27 Ca 0.08 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 56.93 3m18 s SER 27 Cb 0.16 0.17 -0.05 0.00 0.21 0.00 0.00 66.02 66.51 3m18 s SER 27 CO 0.79 -0.30 1.35 -0.69 0.41 0.00 0.00 173.24 174.79 3m18 s VAL 28 N -2.45 3.83 0.35 3.43 1.01 -1.26 -4.96 120.40 120.35 3m18 s VAL 28 Ca 0.13 1.21 -0.27 0.00 0.00 0.00 0.00 61.98 63.05 3m18 s VAL 28 Cb 0.03 -3.78 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 3m18 s VAL 28 CO -0.04 0.01 1.19 -2.65 0.00 0.00 0.00 175.10 173.61 3m18 n PRO 29 N 5.22 1.85 0.20 2.72 -0.02 -1.26 -4.94 135.00 138.77 3m18 n PRO 29 Ca 0.12 0.65 0.10 0.00 -2.02 0.00 0.00 63.50 62.35 3m18 n PRO 29 Cb 0.44 -2.19 0.20 0.00 -0.02 0.00 0.00 33.50 31.93 3m18 n PRO 29 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3m18 h SER 30 N 2.26 0.00 -0.27 2.55 4.64 -1.93 -3.34 113.55 117.47 3m18 h SER 30 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3m18 h SER 30 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3m18 h SER 30 CO 0.61 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 3m18 n GLY 31 N 0.96 0.30 3.68 -0.77 0.00 -1.26 -4.94 105.19 103.16 3m18 n GLY 31 Ca 0.03 -0.32 -0.49 0.00 0.00 0.00 0.00 46.02 45.24 3m18 n GLY 31 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3m18 n ILE 32 N 0.31 0.35 -1.65 -0.61 5.41 -1.26 -4.49 119.36 117.42 3m18 n ILE 32 Ca 0.10 -0.06 -0.44 0.00 1.00 0.00 0.00 62.75 63.35 3m18 n ILE 32 Cb 0.25 -1.63 -0.02 0.00 -0.71 0.00 0.00 39.64 37.52 3m18 n ILE 32 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3m18 n PRO 33 N 5.31 1.81 0.04 0.38 -0.02 -1.26 -4.84 135.00 136.41 3m18 n PRO 33 Ca 0.21 0.64 0.09 0.00 -2.02 0.00 0.00 63.50 62.42 3m18 n PRO 33 Cb 0.27 -2.18 0.38 0.00 -0.02 0.00 0.00 33.50 31.95 3m18 n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m18 n ALA 34 N 0.83 1.74 -0.53 3.55 0.00 -1.26 -1.37 120.51 123.47 3m18 n ALA 34 Ca 0.09 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.60 3m18 n ALA 34 Cb 0.33 -1.30 0.31 0.00 0.00 0.00 0.00 19.45 18.78 3m18 n ALA 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3m18 n ASP 35 N -1.71 4.19 -4.70 0.00 5.75 -1.26 -4.30 116.55 114.52 3m18 n ASP 35 Ca 0.03 -2.33 -0.43 0.00 -0.01 0.00 0.00 54.79 52.06 3m18 n ASP 35 Cb 0.21 -0.49 -0.01 0.00 -1.03 0.00 0.00 41.12 39.79 3m18 n ASP 35 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3m18 n THR 36 N 0.97 1.53 -0.06 2.12 -1.04 -0.47 -4.89 114.28 112.45 3m18 n THR 36 Ca 0.23 -0.38 -0.06 0.00 -2.04 0.00 0.00 64.05 61.79 3m18 n THR 36 Cb 0.75 -1.63 -0.09 0.00 -1.82 0.00 0.00 70.33 67.54 3m18 n THR 36 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3m18 n GLU 37 N 1.24 2.01 -3.99 -2.82 1.02 0.27 -2.97 120.64 115.40 3m18 n GLU 37 Ca 0.07 -0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.93 3m18 n GLU 37 Cb 0.35 -1.30 -0.17 0.00 -0.02 0.00 0.00 31.44 30.30 3m18 n GLU 37 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3m18 s LYS 38 N -2.29 1.90 -0.15 3.49 2.20 -0.78 -0.45 119.74 123.66 3m18 s LYS 38 Ca -0.06 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 3m18 s LYS 38 Cb 0.04 -1.83 0.03 0.00 -1.51 0.00 0.00 37.83 34.56 3m18 s LYS 38 CO 0.48 -0.24 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.96 3m18 s LEU 39 N 1.56 1.66 -0.26 5.43 2.96 -0.67 -1.06 118.68 128.30 3m18 s LEU 39 Ca 0.04 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.35 3m18 s LEU 39 Cb -0.13 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.48 3m18 s LEU 39 CO -0.09 -0.10 0.05 -0.62 -1.32 0.00 0.00 176.35 174.27 3m18 s ASP 40 N 1.54 4.95 -0.08 3.68 -1.08 -0.25 -1.32 116.67 124.11 3m18 s ASP 40 Ca 0.03 -0.46 0.12 0.00 -0.52 0.00 0.00 52.55 51.72 3m18 s ASP 40 Cb -0.14 -1.87 0.18 0.00 -1.46 0.00 0.00 42.92 39.64 3m18 s ASP 40 CO -0.09 -0.10 1.09 0.18 0.52 0.00 0.00 175.17 176.76 3m18 n LEU 41 N 4.87 1.58 -4.76 -1.34 4.77 0.72 -1.32 117.00 121.52 3m18 n LEU 41 Ca -0.16 -2.35 -0.41 0.00 -0.03 0.00 0.00 56.01 53.06 3m18 n LEU 41 Cb 0.50 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3m18 n LEU 41 CO 0.31 0.55 1.04 -1.58 -1.33 0.00 0.00 177.39 176.38 3m18 s GLN 42 N -1.87 4.30 -1.35 3.23 0.74 -0.98 -3.31 119.66 120.41 3m18 s GLN 42 Ca 0.20 2.28 -0.08 0.00 0.05 0.00 0.00 55.36 57.82 3m18 s GLN 42 Cb 0.18 -3.08 0.02 0.00 1.10 0.00 0.00 33.01 31.23 3m18 s GLN 42 CO 0.02 -0.31 1.12 0.43 -0.55 0.00 0.00 175.29 176.00 3m18 n SER 43 N 1.37 -5.34 -0.42 6.67 7.64 -0.71 -1.89 113.62 120.93 3m18 n SER 43 Ca 0.03 -0.59 0.09 0.00 1.01 0.00 0.00 58.87 59.41 3m18 n SER 43 Cb 0.41 -4.89 -0.00 0.00 -1.01 0.00 0.00 64.21 58.72 3m18 n SER 43 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3m18 n THR 44 N -4.81 0.00 -0.86 0.44 -2.24 -1.21 -2.99 114.28 102.61 3m18 n THR 44 Ca -0.05 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3m18 n THR 44 Cb 0.58 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 3m18 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m18 n GLY 45 N 1.25 0.49 3.74 3.38 0.00 -1.26 -0.39 105.19 112.40 3m18 n GLY 45 Ca 0.08 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 3m18 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m18 s LEU 46 N 0.00 4.36 -0.01 0.99 1.43 -1.26 -4.68 118.68 119.51 3m18 s LEU 46 Ca 0.00 2.83 0.07 0.00 -1.03 0.00 0.00 54.13 56.00 3m18 s LEU 46 Cb 0.00 -3.62 -0.11 0.00 0.03 0.00 0.00 46.19 42.49 3m18 s LEU 46 CO 0.00 -0.86 0.15 0.00 0.23 0.00 0.00 176.35 175.87 3m18 n ALA 47 N 2.71 2.24 -2.93 4.21 0.00 -1.26 -0.48 120.51 125.00 3m18 n ALA 47 Ca 0.10 -0.19 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 3m18 n ALA 47 Cb 0.38 -0.22 -0.08 0.00 0.00 0.00 0.00 19.45 19.53 3m18 n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3m18 s THR 48 N -2.48 0.10 0.21 0.00 -4.23 -1.26 -4.28 115.64 103.71 3m18 s THR 48 Ca -0.03 -0.79 0.03 0.00 -1.18 0.00 0.00 61.69 59.73 3m18 s THR 48 Cb 0.04 -0.94 -0.05 0.00 1.34 0.00 0.00 72.50 72.90 3m18 s THR 48 CO 0.30 -0.43 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.17 3m18 s LEU 49 N -2.10 2.19 0.28 4.79 1.43 -1.26 -5.01 118.68 119.00 3m18 s LEU 49 Ca -0.05 -1.20 -0.00 0.00 -1.03 0.00 0.00 54.13 51.85 3m18 s LEU 49 Cb -0.01 -0.24 -0.02 0.00 0.03 0.00 0.00 46.19 45.95 3m18 s LEU 49 CO -0.04 -0.51 0.30 -0.94 0.23 0.00 0.00 176.35 175.39 3m18 s SER 50 N -3.27 0.75 0.56 2.29 1.04 -1.26 -4.50 113.70 109.31 3m18 s SER 50 Ca 0.27 -1.46 0.27 0.00 0.48 0.00 0.00 55.95 55.50 3m18 s SER 50 Cb 0.05 0.53 1.50 0.00 0.10 0.00 0.00 66.02 68.20 3m18 s SER 50 CO 0.07 -1.05 2.01 0.44 0.98 0.00 0.00 173.24 175.70 3m18 h ASP 51 N 2.31 0.00 0.05 7.02 5.19 -1.90 -2.27 116.42 126.82 3m18 h ASP 51 Ca -0.30 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 3m18 h ASP 51 Cb 1.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 3m18 h ASP 51 CO 0.42 0.00 -0.68 0.00 -3.12 0.00 0.00 179.24 175.87 3m18 n ALA 52 N -2.47 4.02 -0.28 3.45 0.00 -1.26 -4.57 120.51 119.40 3m18 n ALA 52 Ca 0.06 -0.59 0.06 0.00 0.00 0.00 0.00 53.44 52.97 3m18 n ALA 52 Cb 0.51 -0.83 0.20 0.00 0.00 0.00 0.00 19.45 19.32 3m18 n ALA 52 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3m18 h THR 53 N 1.17 0.73 -0.29 0.00 2.02 -1.73 -2.63 112.91 112.19 3m18 h THR 53 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3m18 h THR 53 Cb 0.61 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3m18 h THR 53 CO 0.00 0.11 0.00 0.49 0.37 0.00 0.00 175.52 176.49 3m18 n PHE 54 N -4.90 0.67 -1.82 3.16 3.72 -1.26 -4.95 117.46 112.08 3m18 n PHE 54 Ca 0.15 -0.69 -0.42 0.00 -0.05 0.00 0.00 57.45 56.45 3m18 n PHE 54 Cb 0.40 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.76 3m18 n PHE 54 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 3m18 s ARG 55 N -1.89 4.15 0.00 -1.08 3.52 -0.99 -1.66 118.95 121.00 3m18 s ARG 55 Ca 0.32 2.52 0.00 0.00 -0.13 0.00 0.00 55.73 58.44 3m18 s ARG 55 Cb 0.22 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 3m18 s ARG 55 CO 0.12 -0.62 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 3m18 n GLY 56 N 2.67 1.60 2.51 8.12 0.00 -1.26 -4.96 105.19 113.87 3m18 n GLY 56 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3m18 n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m18 n LEU 57 N 0.00 7.92 0.00 0.99 4.77 -0.66 -4.75 117.00 125.27 3m18 n LEU 57 Ca 0.00 -4.97 0.13 0.00 -0.03 0.00 0.00 56.01 51.14 3m18 n LEU 57 Cb 0.00 -1.33 0.58 0.00 -2.33 0.00 0.00 43.42 40.34 3m18 n LEU 57 CO 0.00 2.05 0.92 0.35 -1.33 0.00 0.00 177.39 179.38 3m18 n THR 58 N 1.46 0.19 1.12 -5.08 -2.24 -1.26 -2.63 114.28 105.83 3m18 n THR 58 Ca 0.60 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 62.54 3m18 n THR 58 Cb 0.25 -0.60 0.17 0.00 -2.10 0.00 0.00 70.33 68.05 3m18 n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3m18 n LYS 59 N -1.47 1.51 -1.72 -0.78 4.76 -1.26 -4.42 118.16 114.79 3m18 n LYS 59 Ca 0.07 -1.15 -0.43 0.00 -2.87 0.00 0.00 58.31 53.93 3m18 n LYS 59 Cb 0.29 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.98 3m18 n LYS 59 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3m18 n LEU 60 N 0.26 3.93 -0.00 -0.35 4.77 -1.08 -4.37 117.00 120.17 3m18 n LEU 60 Ca 0.12 1.12 0.01 0.00 -0.03 0.00 0.00 56.01 57.23 3m18 n LEU 60 Cb 0.47 -1.55 -0.01 0.00 -2.33 0.00 0.00 43.42 40.00 3m18 n LEU 60 CO 0.23 0.01 -0.11 0.35 -1.33 0.00 0.00 177.39 176.54 3m18 n THR 61 N 2.73 0.00 -3.68 -5.08 -2.24 0.40 -2.84 114.28 103.58 3m18 n THR 61 Ca 0.12 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.40 3m18 n THR 61 Cb 0.35 0.89 -0.13 0.00 -2.10 0.00 0.00 70.33 69.33 3m18 n THR 61 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3m18 s TRP 62 N -1.38 -0.43 -0.07 4.78 -0.00 -0.96 0.21 118.94 121.10 3m18 s TRP 62 Ca 0.00 0.97 0.01 0.00 -0.00 0.00 0.00 56.10 57.08 3m18 s TRP 62 Cb 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 33.47 33.51 3m18 s TRP 62 CO 0.08 -0.34 -0.06 -1.17 -0.00 0.00 0.00 176.95 175.46 3m18 s LEU 63 N 2.18 1.23 -0.30 5.86 2.96 -0.50 -1.68 118.68 128.43 3m18 s LEU 63 Ca -0.01 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3m18 s LEU 63 Cb -0.12 -0.60 0.07 0.00 0.50 0.00 0.00 46.19 46.04 3m18 s LEU 63 CO -0.09 -0.07 -0.02 0.21 -1.32 0.00 0.00 176.35 175.06 3m18 s ASN 64 N 1.21 4.72 -0.23 3.68 2.47 -0.43 -0.99 114.94 125.37 3m18 s ASN 64 Ca -0.06 -1.55 0.14 0.00 0.42 0.00 0.00 52.86 51.81 3m18 s ASN 64 Cb -0.14 -1.64 0.53 0.00 -1.45 0.00 0.00 41.25 38.55 3m18 s ASN 64 CO -0.02 -0.28 1.46 0.18 -3.72 0.00 0.00 177.10 174.72 3m18 n LEU 65 N 4.47 4.09 -4.76 3.21 4.77 0.15 -0.20 117.00 128.73 3m18 n LEU 65 Ca -0.09 -3.30 -0.35 0.00 -0.03 0.00 0.00 56.01 52.23 3m18 n LEU 65 Cb 0.42 -0.59 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3m18 n LEU 65 CO 0.24 0.89 0.80 -1.81 -1.33 0.00 0.00 177.39 176.18 3m18 s ASP 66 N -2.12 5.29 -1.16 -1.43 1.01 -1.18 -3.92 116.67 113.16 3m18 s ASP 66 Ca 0.44 2.25 -0.03 0.00 0.71 0.00 0.00 52.55 55.92 3m18 s ASP 66 Cb 0.37 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.72 3m18 s ASP 66 CO 0.06 -1.52 0.99 -1.22 0.21 0.00 0.00 175.17 173.69 3m18 n TYR 67 N -1.70 -2.24 -3.28 4.23 4.01 -0.50 -1.74 117.16 115.93 3m18 n TYR 67 Ca 0.12 0.90 0.00 0.00 -0.16 0.00 0.00 57.90 58.76 3m18 n TYR 67 Cb 0.50 -4.85 0.00 0.00 -0.31 0.00 0.00 39.34 34.69 3m18 n TYR 67 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3m18 n ASN 68 N -2.90 1.74 -1.23 7.72 4.13 -1.23 -3.12 115.26 120.37 3m18 n ASN 68 Ca -0.19 -0.41 -0.07 0.00 1.68 0.00 0.00 54.58 55.59 3m18 n ASN 68 Cb 0.63 0.00 0.13 0.00 -1.54 0.00 0.00 39.78 38.99 3m18 n ASN 68 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3m18 n GLN 69 N -0.05 2.46 -2.45 3.52 3.00 0.37 -4.32 117.38 119.91 3m18 n GLN 69 Ca 0.00 -3.68 -0.42 0.00 -0.01 0.00 0.00 57.00 52.89 3m18 n GLN 69 Cb 0.00 -1.90 -0.03 0.00 0.00 0.00 0.00 30.24 28.32 3m18 n GLN 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3m18 s LEU 70 N -3.38 4.32 -0.15 1.08 1.43 -1.23 -4.65 118.68 116.11 3m18 s LEU 70 Ca 0.44 1.89 0.15 0.00 -1.03 0.00 0.00 54.13 55.58 3m18 s LEU 70 Cb 0.39 -3.57 -0.22 0.00 0.03 0.00 0.00 46.19 42.83 3m18 s LEU 70 CO -0.02 -0.53 0.10 0.00 0.23 0.00 0.00 176.35 176.13 3m18 n GLN 71 N 4.66 1.18 -4.10 1.70 6.02 -1.26 -1.10 117.38 124.49 3m18 n GLN 71 Ca 0.10 -0.03 -0.10 0.00 -0.01 0.00 0.00 57.00 56.96 3m18 n GLN 71 Cb 0.46 -1.43 -0.09 0.00 1.02 0.00 0.00 30.24 30.21 3m18 n GLN 71 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 3m18 s THR 72 N -2.51 0.07 0.30 5.09 -1.32 -1.26 -1.26 115.64 114.74 3m18 s THR 72 Ca -0.08 -1.75 0.10 0.00 -1.21 0.00 0.00 61.69 58.76 3m18 s THR 72 Cb 0.06 -2.09 -0.06 0.00 -1.51 0.00 0.00 72.50 68.90 3m18 s THR 72 CO 0.69 -0.30 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.90 3m18 s LEU 73 N -3.05 2.63 0.25 9.08 1.43 -1.26 -4.62 118.68 123.14 3m18 s LEU 73 Ca 0.25 -1.10 -0.03 0.00 -1.03 0.00 0.00 54.13 52.22 3m18 s LEU 73 Cb 0.06 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 45.23 3m18 s LEU 73 CO 0.04 -0.09 0.49 -0.94 0.23 0.00 0.00 176.35 176.08 3m18 s SER 74 N -3.52 6.43 0.55 2.29 1.04 -1.26 -4.57 113.70 114.65 3m18 s SER 74 Ca 0.30 0.60 0.23 0.00 0.48 0.00 0.00 55.95 57.56 3m18 s SER 74 Cb -0.01 -2.09 1.52 0.00 0.10 0.00 0.00 66.02 65.54 3m18 s SER 74 CO 0.15 -0.13 2.18 0.00 0.98 0.00 0.00 173.24 176.42 3m18 h ALA 75 N 1.86 1.82 -0.31 5.32 0.00 -1.94 -2.86 119.26 123.16 3m18 h ALA 75 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3m18 h ALA 75 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3m18 h ALA 75 CO 0.67 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 180.28 3m18 n GLY 76 N -1.45 2.61 0.34 0.00 0.00 -1.26 -4.20 105.19 101.24 3m18 n GLY 76 Ca -0.02 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.78 3m18 n GLY 76 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3m18 h VAL 77 N 1.90 0.88 -0.46 1.61 3.04 -1.72 -2.07 116.25 119.43 3m18 h VAL 77 Ca 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 3m18 h VAL 77 Cb 0.70 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 3m18 h VAL 77 CO 0.00 0.04 0.00 0.49 -1.01 0.00 0.00 177.57 177.09 3m18 n PHE 78 N -4.46 0.61 -0.29 3.17 3.72 -1.26 -4.52 117.46 114.43 3m18 n PHE 78 Ca 0.07 -0.42 0.02 0.00 -0.05 0.00 0.00 57.45 57.07 3m18 n PHE 78 Cb 0.36 -0.01 0.09 0.00 -0.94 0.00 0.00 39.48 38.98 3m18 n PHE 78 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3m18 h ASP 79 N 3.25 -0.87 1.16 4.37 3.32 -1.70 -0.88 116.42 125.07 3m18 h ASP 79 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3m18 h ASP 79 Cb 0.85 0.54 0.00 0.00 0.22 0.00 0.00 39.33 40.94 3m18 h ASP 79 CO 0.00 -0.28 0.00 0.47 -1.72 0.00 0.00 179.24 177.71 3m18 n ASP 80 N -5.52 0.71 -3.34 6.45 9.92 -1.26 -4.47 116.55 119.03 3m18 n ASP 80 Ca 0.11 0.60 -0.38 0.00 -0.53 0.00 0.00 54.79 54.59 3m18 n ASP 80 Cb 0.41 -0.78 -0.01 0.00 -0.64 0.00 0.00 41.12 40.10 3m18 n ASP 80 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3m18 n LEU 81 N -2.20 7.86 0.10 0.64 4.77 -0.34 -4.44 117.00 123.40 3m18 n LEU 81 Ca 0.04 -4.76 0.11 0.00 -0.03 0.00 0.00 56.01 51.38 3m18 n LEU 81 Cb 0.35 -1.35 0.45 0.00 -2.33 0.00 0.00 43.42 40.54 3m18 n LEU 81 CO 0.26 2.02 0.84 0.35 -1.33 0.00 0.00 177.39 179.53 3m18 n THR 82 N 1.67 0.78 -0.32 -5.08 -2.24 -1.26 -2.31 114.28 105.53 3m18 n THR 82 Ca 0.61 0.14 0.09 0.00 -2.27 0.00 0.00 64.05 62.63 3m18 n THR 82 Cb 0.29 -1.02 0.25 0.00 -2.10 0.00 0.00 70.33 67.76 3m18 n THR 82 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3m18 n GLU 83 N -2.09 2.86 -1.96 -0.78 -0.58 -1.26 -4.37 120.64 112.47 3m18 n GLU 83 Ca 0.03 -2.43 -0.42 0.00 -0.42 0.00 0.00 57.16 53.92 3m18 n GLU 83 Cb 0.25 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.63 3m18 n GLU 83 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3m18 s LEU 84 N -1.10 4.37 -0.14 -4.62 2.96 -0.98 -4.35 118.68 114.84 3m18 s LEU 84 Ca 0.38 2.67 0.10 0.00 -0.22 0.00 0.00 54.13 57.07 3m18 s LEU 84 Cb 0.21 -3.61 -0.16 0.00 0.50 0.00 0.00 46.19 43.13 3m18 s LEU 84 CO 0.25 -0.78 0.02 0.61 -1.32 0.00 0.00 176.35 175.13 3m18 n GLY 85 N 2.88 -0.60 2.92 7.98 0.00 0.13 -2.60 105.19 115.91 3m18 n GLY 85 Ca 0.10 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 3m18 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m18 s THR 86 N -2.32 0.81 -0.19 2.61 2.01 -0.55 0.63 115.64 118.63 3m18 s THR 86 Ca -0.09 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.68 3m18 s THR 86 Cb 0.04 -0.81 0.03 0.00 0.01 0.00 0.00 72.50 71.77 3m18 s THR 86 CO 0.52 0.30 -0.15 -0.22 -0.69 0.00 0.00 174.62 174.38 3m18 s LEU 87 N 1.13 2.35 -0.40 4.42 2.96 0.05 -1.41 118.68 127.78 3m18 s LEU 87 Ca -0.07 -0.82 -0.15 0.00 -0.22 0.00 0.00 54.13 52.86 3m18 s LEU 87 Cb -0.14 -1.39 0.02 0.00 0.50 0.00 0.00 46.19 45.17 3m18 s LEU 87 CO -0.01 -0.08 0.33 -0.83 -1.32 0.00 0.00 176.35 174.44 3m18 s GLY 88 N 1.31 1.98 -0.07 7.98 0.00 -0.16 -1.04 107.32 117.31 3m18 s GLY 88 Ca 0.01 -1.63 0.11 0.00 0.00 0.00 0.00 44.72 43.20 3m18 s GLY 88 CO -0.10 0.97 1.05 1.04 0.00 0.00 0.00 173.10 176.06 3m18 n LEU 89 N 5.26 1.54 -4.78 0.66 4.77 0.02 0.30 117.00 124.77 3m18 n LEU 89 Ca -0.10 -2.22 -0.36 0.00 -0.03 0.00 0.00 56.01 53.30 3m18 n LEU 89 Cb 0.47 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3m18 n LEU 89 CO 0.42 0.52 0.78 0.00 -1.33 0.00 0.00 177.39 177.78 3m18 s ALA 90 N -1.71 2.90 -1.40 -1.18 0.00 -0.87 -3.99 121.76 115.50 3m18 s ALA 90 Ca 0.18 0.81 -0.08 0.00 0.00 0.00 0.00 51.96 52.87 3m18 s ALA 90 Cb 0.16 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.95 3m18 s ALA 90 CO 0.02 -0.56 1.08 0.09 0.00 0.00 0.00 175.76 176.38 3m18 n ASN 91 N -0.73 -6.35 -0.02 0.00 4.13 0.20 -1.41 115.26 111.08 3m18 n ASN 91 Ca 0.08 -0.49 0.00 0.00 1.68 0.00 0.00 54.58 55.85 3m18 n ASN 91 Cb 0.50 -5.02 0.00 0.00 -1.54 0.00 0.00 39.78 33.72 3m18 n ASN 91 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3m18 n ASN 92 N -2.92 0.29 -2.12 6.41 3.02 -1.25 -3.09 115.26 115.60 3m18 n ASN 92 Ca -0.01 -0.01 -0.22 0.00 -0.03 0.00 0.00 54.58 54.31 3m18 n ASN 92 Cb 0.57 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.76 3m18 n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m18 n GLN 93 N -0.01 3.41 -2.19 3.52 6.02 -0.26 -4.45 117.38 123.42 3m18 n GLN 93 Ca 0.00 -4.11 -0.42 0.00 -0.01 0.00 0.00 57.00 52.46 3m18 n GLN 93 Cb 0.00 -2.21 -0.03 0.00 1.02 0.00 0.00 30.24 29.03 3m18 n GLN 93 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3m18 s LEU 94 N -3.62 4.33 0.07 1.08 1.43 -1.04 -4.34 118.68 116.60 3m18 s LEU 94 Ca 0.48 2.18 0.22 0.00 -1.03 0.00 0.00 54.13 55.99 3m18 s LEU 94 Cb 0.40 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.95 3m18 s LEU 94 CO 0.02 -0.72 0.85 0.00 0.23 0.00 0.00 176.35 176.73 3m18 n ALA 95 N 5.16 2.94 -3.74 4.21 0.00 -0.39 -1.16 120.51 127.53 3m18 n ALA 95 Ca 0.13 -0.39 -0.05 0.00 0.00 0.00 0.00 53.44 53.13 3m18 n ALA 95 Cb 0.43 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.93 3m18 n ALA 95 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3m18 s SER 96 N -4.58 -0.22 0.01 0.00 1.04 -1.26 -4.06 113.70 104.63 3m18 s SER 96 Ca -0.02 -0.40 0.07 0.00 0.48 0.00 0.00 55.95 56.09 3m18 s SER 96 Cb 0.13 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 3m18 s SER 96 CO 0.84 -0.98 -0.22 -0.76 0.98 0.00 0.00 173.24 173.10 3m18 s LEU 97 N -2.89 2.10 0.51 2.42 1.43 -1.26 -4.55 118.68 116.43 3m18 s LEU 97 Ca 0.11 -0.47 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 3m18 s LEU 97 Cb -0.02 -1.12 -0.07 0.00 0.03 0.00 0.00 46.19 45.02 3m18 s LEU 97 CO 0.02 0.24 1.14 -2.84 0.23 0.00 0.00 176.35 175.13 3m18 s PRO 98 N -0.84 3.52 0.22 1.29 0.02 -1.26 -4.66 135.00 133.29 3m18 s PRO 98 Ca 0.09 1.66 -0.31 0.00 0.02 0.00 0.00 61.00 62.46 3m18 s PRO 98 Cb -0.09 -2.15 -0.15 0.00 0.02 0.00 0.00 34.50 32.13 3m18 s PRO 98 CO 0.00 -0.72 1.16 1.28 -0.33 0.00 0.00 177.00 178.39 3m18 n LEU 99 N -0.99 1.88 0.00 -5.54 4.77 -1.26 -2.52 117.00 113.34 3m18 n LEU 99 Ca 0.10 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.23 3m18 n LEU 99 Cb 0.50 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 3m18 n LEU 99 CO 0.44 -1.19 0.00 0.61 -1.33 0.00 0.00 177.39 175.92 3m18 n GLY 100 N 1.80 0.21 0.45 -0.72 0.00 -1.26 -4.82 105.19 100.85 3m18 n GLY 100 Ca 0.13 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.41 3m18 n GLY 100 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3m18 h VAL 101 N 0.00 0.50 -0.44 1.61 3.04 -1.66 -1.39 116.25 117.92 3m18 h VAL 101 Ca 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.61 3m18 h VAL 101 Cb 0.37 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 29.90 3m18 h VAL 101 CO 0.00 0.04 0.00 0.49 -1.01 0.00 0.00 177.57 177.09 3m18 n PHE 102 N -4.45 0.58 0.27 3.17 3.72 -1.26 -4.59 117.46 114.89 3m18 n PHE 102 Ca 0.24 -0.36 0.11 0.00 -0.05 0.00 0.00 57.45 57.39 3m18 n PHE 102 Cb 0.98 -0.01 0.73 0.00 -0.94 0.00 0.00 39.48 40.25 3m18 n PHE 102 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3m18 h ASP 103 N 3.58 0.00 0.39 4.37 5.19 -1.53 -1.61 116.42 126.81 3m18 h ASP 103 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3m18 h ASP 103 Cb 0.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.38 3m18 h ASP 103 CO 0.00 0.02 -0.11 1.41 -3.12 0.00 0.00 179.24 177.44 3m18 n HIS 104 N -4.22 0.00 -2.10 4.55 8.25 -1.26 -4.46 115.22 115.98 3m18 n HIS 104 Ca -0.03 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.05 3m18 n HIS 104 Cb 0.11 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.02 3m18 n HIS 104 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3m18 n LEU 105 N -1.00 7.48 0.22 2.41 4.77 -0.61 -4.38 117.00 125.89 3m18 n LEU 105 Ca 0.14 -4.90 0.15 0.00 -0.03 0.00 0.00 56.01 51.37 3m18 n LEU 105 Cb 0.28 -1.23 0.66 0.00 -2.33 0.00 0.00 43.42 40.79 3m18 n LEU 105 CO 0.24 1.96 0.95 0.71 -1.33 0.00 0.00 177.39 179.92 3m18 h THR 106 N 2.28 0.00 -0.27 -5.08 1.35 -1.78 -1.50 112.91 107.91 3m18 h THR 106 Ca 0.58 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 66.11 3m18 h THR 106 Cb 0.34 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3m18 h THR 106 CO 1.27 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.54 3m18 n GLN 107 N -2.73 2.05 -1.84 4.72 1.13 -1.26 -4.20 117.38 115.25 3m18 n GLN 107 Ca 0.01 -1.59 -0.42 0.00 -1.94 0.00 0.00 57.00 53.06 3m18 n GLN 107 Cb 0.24 -1.43 -0.02 0.00 0.11 0.00 0.00 30.24 29.13 3m18 n GLN 107 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3m18 s LEU 108 N -1.48 4.36 -0.18 1.08 2.96 -0.56 -4.41 118.68 120.45 3m18 s LEU 108 Ca 0.34 2.82 -0.04 0.00 -0.22 0.00 0.00 54.13 57.03 3m18 s LEU 108 Cb 0.19 -3.62 -0.10 0.00 0.50 0.00 0.00 46.19 43.17 3m18 s LEU 108 CO 0.28 -0.87 -0.19 -0.67 -1.32 0.00 0.00 176.35 173.58 3m18 n ASP 109 N 2.88 2.02 -4.03 3.68 2.03 0.20 -2.50 116.55 120.82 3m18 n ASP 109 Ca 0.10 0.06 -0.25 0.00 0.52 0.00 0.00 54.79 55.22 3m18 n ASP 109 Cb 0.38 -0.40 -0.17 0.00 -0.72 0.00 0.00 41.12 40.21 3m18 n ASP 109 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3m18 s LYS 110 N -2.34 1.72 -0.22 -0.67 1.02 -0.19 -0.40 119.74 118.67 3m18 s LYS 110 Ca -0.24 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.33 3m18 s LYS 110 Cb 0.08 -1.42 0.05 0.00 -0.52 0.00 0.00 37.83 36.02 3m18 s LYS 110 CO 0.36 0.04 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.59 3m18 s LEU 111 N 0.62 2.41 -0.39 3.17 2.96 -0.59 -0.77 118.68 126.10 3m18 s LEU 111 Ca -0.14 -1.05 -0.10 0.00 -0.22 0.00 0.00 54.13 52.62 3m18 s LEU 111 Cb -0.16 -1.18 0.05 0.00 0.50 0.00 0.00 46.19 45.41 3m18 s LEU 111 CO 0.04 -0.20 0.23 -0.31 -1.32 0.00 0.00 176.35 174.78 3m18 s TYR 112 N 1.41 3.28 -0.14 5.38 2.02 -0.21 -1.54 117.35 127.56 3m18 s TYR 112 Ca -0.04 -1.24 0.14 0.00 -0.37 0.00 0.00 57.07 55.56 3m18 s TYR 112 Cb -0.18 -2.67 0.25 0.00 -0.40 0.00 0.00 41.96 38.96 3m18 s TYR 112 CO -0.07 -0.75 1.15 1.28 -1.57 0.00 0.00 175.55 175.59 3m18 n LEU 113 N 4.96 2.46 -4.77 -1.29 4.77 -0.05 -0.80 117.00 122.28 3m18 n LEU 113 Ca -0.11 -2.76 -0.38 0.00 -0.03 0.00 0.00 56.01 52.72 3m18 n LEU 113 Cb 0.44 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 3m18 n LEU 113 CO 0.38 0.65 0.89 -0.83 -1.33 0.00 0.00 177.39 177.15 3m18 s GLY 114 N -2.22 2.87 -0.11 -0.72 0.00 -1.12 -3.92 107.32 102.10 3m18 s GLY 114 Ca 0.25 1.08 -0.00 0.00 0.00 0.00 0.00 44.72 46.05 3m18 s GLY 114 CO 0.03 1.61 0.03 0.61 0.00 0.00 0.00 173.10 175.38 3m18 n GLY 115 N 0.62 0.51 0.00 0.20 0.00 -0.64 -0.63 105.19 105.25 3m18 n GLY 115 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3m18 n GLY 115 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m18 n ASN 116 N 1.53 0.82 -1.22 1.61 4.13 -1.01 -3.17 115.26 117.95 3m18 n ASN 116 Ca -0.01 0.00 0.01 0.00 1.68 0.00 0.00 54.58 56.26 3m18 n ASN 116 Cb 0.51 0.00 0.12 0.00 -1.54 0.00 0.00 39.78 38.87 3m18 n ASN 116 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3m18 n GLN 117 N 0.00 1.45 -1.84 3.52 1.13 -0.31 -4.29 117.38 117.03 3m18 n GLN 117 Ca 0.00 -3.08 -0.42 0.00 -1.94 0.00 0.00 57.00 51.55 3m18 n GLN 117 Cb 0.00 -1.27 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 3m18 n GLN 117 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3m18 s LEU 118 N -2.44 4.38 -0.10 1.08 1.43 -1.02 -4.49 118.68 117.52 3m18 s LEU 118 Ca 0.38 2.63 0.18 0.00 -1.03 0.00 0.00 54.13 56.29 3m18 s LEU 118 Cb 0.38 -3.57 -0.27 0.00 0.03 0.00 0.00 46.19 42.75 3m18 s LEU 118 CO -0.08 -0.92 0.27 0.29 0.23 0.00 0.00 176.35 176.14 3m18 n LYS 119 N 5.17 0.78 -3.75 1.70 5.02 -1.26 -0.15 118.16 125.68 3m18 n LYS 119 Ca 0.16 -0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.25 3m18 n LYS 119 Cb 0.39 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 3m18 n LYS 119 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3m18 s SER 120 N -4.71 -0.21 -0.07 4.39 1.04 -1.26 -1.45 113.70 111.42 3m18 s SER 120 Ca -0.08 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 55.88 3m18 s SER 120 Cb 0.09 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 3m18 s SER 120 CO 0.79 -0.99 -0.19 -0.76 0.98 0.00 0.00 173.24 173.07 3m18 s LEU 121 N -2.87 2.45 0.63 2.42 1.43 -1.26 -4.67 118.68 116.80 3m18 s LEU 121 Ca 0.09 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 52.66 3m18 s LEU 121 Cb 0.00 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 3m18 s LEU 121 CO -0.04 0.27 1.21 -2.84 0.23 0.00 0.00 176.35 175.17 3m18 s PRO 122 N -0.27 2.77 -0.35 1.29 0.02 -1.26 -4.77 135.00 132.42 3m18 s PRO 122 Ca 0.01 1.80 -0.39 0.00 0.02 0.00 0.00 61.00 62.43 3m18 s PRO 122 Cb -0.13 -1.91 -0.15 0.00 0.02 0.00 0.00 34.50 32.34 3m18 s PRO 122 CO 0.03 -1.36 1.98 0.45 -0.33 0.00 0.00 177.00 177.76 3m18 n SER 123 N -1.90 2.00 -0.38 2.53 2.88 -1.26 -2.63 113.62 114.86 3m18 n SER 123 Ca 0.13 0.76 -0.05 0.00 -1.33 0.00 0.00 58.87 58.39 3m18 n SER 123 Cb 0.50 -1.14 -0.02 0.00 -0.75 0.00 0.00 64.21 62.80 3m18 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3m18 n GLY 124 N 5.62 0.77 0.25 0.46 0.00 -1.26 -4.81 105.19 106.22 3m18 n GLY 124 Ca 0.37 -0.80 0.08 0.00 0.00 0.00 0.00 46.02 45.67 3m18 n GLY 124 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3m18 h VAL 125 N 0.00 0.98 -0.38 1.61 3.04 -1.84 -1.51 116.25 118.15 3m18 h VAL 125 Ca -0.10 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 3m18 h VAL 125 Cb 0.34 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 3m18 h VAL 125 CO 0.15 0.06 0.00 0.49 -1.01 0.00 0.00 177.57 177.26 3m18 n PHE 126 N -4.37 0.48 0.21 3.17 3.72 -1.26 -4.49 117.46 114.92 3m18 n PHE 126 Ca -0.03 -0.24 0.07 0.00 -0.05 0.00 0.00 57.45 57.20 3m18 n PHE 126 Cb 0.14 -0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.16 3m18 n PHE 126 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3m18 h ASP 127 N 4.52 0.00 0.65 4.37 3.32 -1.55 -1.74 116.42 125.99 3m18 h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3m18 h ASP 127 Cb 1.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3m18 h ASP 127 CO 0.00 0.27 -0.07 0.54 -1.72 0.00 0.00 179.24 178.27 3m18 n ARG 128 N -3.81 0.31 -2.28 3.56 5.12 -1.26 -4.46 116.66 113.85 3m18 n ARG 128 Ca -0.01 -0.05 -0.40 0.00 -1.93 0.00 0.00 57.85 55.46 3m18 n ARG 128 Cb 0.37 -1.50 0.01 0.00 -1.16 0.00 0.00 32.46 30.17 3m18 n ARG 128 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3m18 n LEU 129 N -1.30 7.63 0.07 0.55 4.77 -0.65 -4.50 117.00 123.56 3m18 n LEU 129 Ca 0.11 -5.09 0.10 0.00 -0.03 0.00 0.00 56.01 51.10 3m18 n LEU 129 Cb 0.29 -1.25 0.43 0.00 -2.33 0.00 0.00 43.42 40.55 3m18 n LEU 129 CO 0.26 2.03 0.82 0.35 -1.33 0.00 0.00 177.39 179.51 3m18 n THR 130 N 0.72 0.80 0.65 -5.08 -2.24 -1.26 -2.04 114.28 105.84 3m18 n THR 130 Ca 0.54 0.17 0.10 0.00 -2.27 0.00 0.00 64.05 62.59 3m18 n THR 130 Cb 0.27 -0.99 0.12 0.00 -2.10 0.00 0.00 70.33 67.62 3m18 n THR 130 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3m18 n LYS 131 N -1.90 2.02 -1.69 -0.78 5.02 -1.26 -4.09 118.16 115.48 3m18 n LYS 131 Ca 0.03 -1.87 -0.45 0.00 -2.02 0.00 0.00 58.31 54.01 3m18 n LYS 131 Cb 0.23 -1.41 -0.04 0.00 -0.02 0.00 0.00 35.03 33.79 3m18 n LYS 131 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3m18 n LEU 132 N 1.20 3.58 -0.08 -0.35 7.94 -0.86 -4.62 117.00 123.80 3m18 n LEU 132 Ca 0.14 1.04 -0.06 0.00 -1.11 0.00 0.00 56.01 56.01 3m18 n LEU 132 Cb 0.53 -1.48 -0.15 0.00 0.53 0.00 0.00 43.42 42.84 3m18 n LEU 132 CO 0.13 -0.04 -1.07 0.29 -1.11 0.00 0.00 177.39 175.60 3m18 n LYS 133 N 4.53 0.85 -3.83 1.96 5.02 0.47 -2.57 118.16 124.59 3m18 n LYS 133 Ca 0.18 -0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.23 3m18 n LYS 133 Cb 0.32 -1.49 -0.17 0.00 -0.02 0.00 0.00 35.03 33.67 3m18 n LYS 133 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3m18 s GLU 134 N -2.61 0.42 -0.14 1.97 2.12 -0.77 -0.06 118.70 119.64 3m18 s GLU 134 Ca -0.09 0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.37 3m18 s GLU 134 Cb 0.07 -0.75 0.02 0.00 0.26 0.00 0.00 34.13 33.73 3m18 s GLU 134 CO 0.79 -0.24 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.98 3m18 s LEU 135 N 1.67 1.56 -0.32 2.70 2.96 -0.21 -1.54 118.68 125.51 3m18 s LEU 135 Ca -0.00 -0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 53.37 3m18 s LEU 135 Cb -0.13 -1.08 0.02 0.00 0.50 0.00 0.00 46.19 45.50 3m18 s LEU 135 CO -0.03 -0.08 0.13 -0.13 -1.32 0.00 0.00 176.35 174.91 3m18 s ARG 136 N 1.55 2.99 -0.00 1.98 1.81 -0.59 -0.98 118.95 125.71 3m18 s ARG 136 Ca 0.05 -0.94 0.01 0.00 -1.72 0.00 0.00 55.73 53.12 3m18 s ARG 136 Cb -0.13 -3.50 0.01 0.00 -0.45 0.00 0.00 34.95 30.88 3m18 s ARG 136 CO -0.10 -0.54 0.95 1.28 -0.68 0.00 0.00 175.30 176.21 3m18 n LEU 137 N 4.91 1.77 -4.76 2.53 4.77 0.13 -0.88 117.00 125.48 3m18 n LEU 137 Ca -0.13 -1.80 -0.33 0.00 -0.03 0.00 0.00 56.01 53.72 3m18 n LEU 137 Cb 0.47 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.61 3m18 n LEU 137 CO 0.33 0.45 0.74 0.54 -1.33 0.00 0.00 177.39 178.12 3m18 s ASN 138 N -0.94 4.80 -1.12 -1.43 4.22 -0.55 -4.04 114.94 115.88 3m18 s ASN 138 Ca 0.01 2.05 -0.02 0.00 -2.14 0.00 0.00 52.86 52.76 3m18 s ASN 138 Cb 0.01 -2.55 -0.02 0.00 1.28 0.00 0.00 41.25 39.96 3m18 s ASN 138 CO 0.00 -1.84 0.94 0.41 -2.04 0.00 0.00 177.10 174.58 3m18 n THR 139 N -2.66 -6.95 -2.37 0.54 -1.04 0.15 -1.67 114.28 100.28 3m18 n THR 139 Ca 0.11 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.34 3m18 n THR 139 Cb 0.52 -5.47 0.00 0.00 -1.82 0.00 0.00 70.33 63.56 3m18 n THR 139 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3m18 n ASN 140 N -3.11 0.55 -1.67 8.00 3.02 -0.99 -1.62 115.26 119.44 3m18 n ASN 140 Ca -0.21 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.29 3m18 n ASN 140 Cb 0.65 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.90 3m18 n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m18 n GLN 141 N 0.00 1.95 -1.95 3.52 6.02 0.79 -4.44 117.38 123.27 3m18 n GLN 141 Ca 0.00 -3.37 -0.42 0.00 -0.01 0.00 0.00 57.00 53.20 3m18 n GLN 141 Cb 0.00 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 29.72 3m18 n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3m18 s LEU 142 N -2.85 4.35 0.08 1.08 1.43 -0.62 -4.25 118.68 117.90 3m18 s LEU 142 Ca 0.39 2.36 0.13 0.00 -1.03 0.00 0.00 54.13 55.98 3m18 s LEU 142 Cb 0.38 -3.54 -0.15 0.00 0.03 0.00 0.00 46.19 42.91 3m18 s LEU 142 CO -0.05 -0.92 0.99 1.56 0.23 0.00 0.00 176.35 178.16 3m18 h GLN 143 N 9.26 0.00 -2.77 1.70 1.08 -1.45 0.17 115.11 123.10 3m18 h GLN 143 Ca -0.41 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 56.88 3m18 h GLN 143 Cb 1.19 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.55 3m18 h GLN 143 CO 0.94 0.54 0.31 -1.54 -0.95 0.00 0.00 178.83 178.14 3m18 s SER 144 N -6.20 -0.28 -0.14 1.46 1.04 -1.26 -4.40 113.70 103.91 3m18 s SER 144 Ca -0.01 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 55.94 3m18 s SER 144 Cb 0.09 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.80 3m18 s SER 144 CO 0.81 -1.14 -0.02 -0.63 0.98 0.00 0.00 173.24 173.24 3m18 s ILE 145 N -3.68 4.09 0.64 -1.02 1.01 -1.26 -4.60 121.20 116.38 3m18 s ILE 145 Ca 0.10 -0.30 -0.18 0.00 0.00 0.00 0.00 60.65 60.27 3m18 s ILE 145 Cb -0.04 -2.78 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 3m18 s ILE 145 CO 0.02 0.51 1.11 -2.65 0.00 0.00 0.00 174.94 173.94 3m18 n PRO 146 N 3.26 0.93 -1.72 2.79 -0.02 -1.26 -4.55 135.00 134.42 3m18 n PRO 146 Ca -0.17 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 3m18 n PRO 146 Cb 0.53 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 3m18 n PRO 146 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m18 n ALA 147 N -1.94 1.94 -1.03 3.55 0.00 -1.26 -2.41 120.51 119.35 3m18 n ALA 147 Ca 0.15 0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.95 3m18 n ALA 147 Cb 0.48 -2.37 -0.00 0.00 0.00 0.00 0.00 19.45 17.55 3m18 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m18 n GLY 148 N 1.63 0.14 0.33 0.00 0.00 -1.26 -4.88 105.19 101.14 3m18 n GLY 148 Ca 0.07 -0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.32 3m18 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m18 h ALA 149 N 0.00 1.78 -0.17 4.61 0.00 -1.82 -1.47 119.26 122.18 3m18 h ALA 149 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3m18 h ALA 149 Cb 0.96 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3m18 h ALA 149 CO 0.03 -0.70 0.00 1.19 0.00 0.00 0.00 179.25 179.78 3m18 n PHE 150 N -5.24 0.20 0.18 0.00 3.72 -1.26 -4.56 117.46 110.50 3m18 n PHE 150 Ca 0.31 -0.10 0.14 0.00 -0.05 0.00 0.00 57.45 57.75 3m18 n PHE 150 Cb 1.01 0.00 0.71 0.00 -0.94 0.00 0.00 39.48 40.25 3m18 n PHE 150 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3m18 h ASP 151 N 4.45 0.00 0.11 4.37 3.32 -1.54 -1.47 116.42 125.66 3m18 h ASP 151 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3m18 h ASP 151 Cb 0.96 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3m18 h ASP 151 CO 0.00 0.00 -0.15 0.29 -1.72 0.00 0.00 179.24 177.66 3m18 n LYS 152 N -4.31 1.26 -1.80 3.56 4.76 -1.26 -4.57 118.16 115.80 3m18 n LYS 152 Ca 0.01 -0.78 -0.35 0.00 -2.87 0.00 0.00 58.31 54.33 3m18 n LYS 152 Cb 0.28 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 3m18 n LYS 152 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3m18 n LEU 153 N -0.19 7.45 0.19 -0.35 4.77 -0.56 -4.45 117.00 123.87 3m18 n LEU 153 Ca 0.15 -4.57 0.14 0.00 -0.03 0.00 0.00 56.01 51.70 3m18 n LEU 153 Cb 0.37 -1.32 0.48 0.00 -2.33 0.00 0.00 43.42 40.62 3m18 n LEU 153 CO 0.22 1.94 0.90 0.71 -1.33 0.00 0.00 177.39 179.83 3m18 h THR 154 N 2.38 0.00 -0.20 -5.08 1.35 -1.78 -2.00 112.91 107.58 3m18 h THR 154 Ca 0.59 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 3m18 h THR 154 Cb 0.47 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 3m18 h THR 154 CO 1.25 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 177.11 3m18 n ASN 155 N -2.70 2.78 -4.75 5.36 3.02 -1.26 -3.85 115.26 113.87 3m18 n ASN 155 Ca 0.03 -1.89 -0.41 0.00 -0.03 0.00 0.00 54.58 52.27 3m18 n ASN 155 Cb 0.35 -0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 3m18 n ASN 155 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3m18 s LEU 156 N -1.71 4.41 -0.12 3.41 2.96 -0.75 -4.44 118.68 122.44 3m18 s LEU 156 Ca 0.34 2.56 0.05 0.00 -0.22 0.00 0.00 54.13 56.87 3m18 s LEU 156 Cb 0.21 -3.62 -0.11 0.00 0.50 0.00 0.00 46.19 43.17 3m18 s LEU 156 CO 0.30 -0.59 -0.04 0.00 -1.32 0.00 0.00 176.35 174.70 3m18 n GLN 157 N 2.15 1.29 -4.06 1.98 6.02 0.91 -1.95 117.38 123.72 3m18 n GLN 157 Ca 0.05 0.04 -0.27 0.00 -0.01 0.00 0.00 57.00 56.81 3m18 n GLN 157 Cb 0.42 -1.27 -0.17 0.00 1.02 0.00 0.00 30.24 30.24 3m18 n GLN 157 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3m18 s THR 158 N -2.26 1.09 -0.14 5.09 2.01 -0.68 0.19 115.64 120.93 3m18 s THR 158 Ca -0.12 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.53 3m18 s THR 158 Cb 0.04 -1.07 0.03 0.00 0.01 0.00 0.00 72.50 71.50 3m18 s THR 158 CO 0.36 0.37 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.34 3m18 s LEU 159 N 1.46 1.56 -0.25 4.42 2.96 -0.62 -1.04 118.68 127.17 3m18 s LEU 159 Ca 0.01 -0.49 -0.07 0.00 -0.22 0.00 0.00 54.13 53.36 3m18 s LEU 159 Cb -0.13 -1.03 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 3m18 s LEU 159 CO -0.06 -0.10 0.05 -0.55 -1.32 0.00 0.00 176.35 174.37 3m18 s SER 160 N 1.58 4.96 0.00 3.68 0.15 -0.15 -2.11 113.70 121.80 3m18 s SER 160 Ca 0.04 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.36 3m18 s SER 160 Cb -0.13 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 3m18 s SER 160 CO -0.09 -0.06 0.50 0.18 1.20 0.00 0.00 173.24 174.97 3m18 n LEU 161 N 4.89 0.93 -4.69 3.45 4.77 -0.74 0.23 117.00 125.84 3m18 n LEU 161 Ca -0.16 -0.93 -0.34 0.00 -0.03 0.00 0.00 56.01 54.54 3m18 n LEU 161 Cb 0.51 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.72 3m18 n LEU 161 CO 0.31 0.23 0.75 -1.54 -1.33 0.00 0.00 177.39 175.81 3m18 n SER 162 N -0.10 1.07 -3.29 -1.43 3.41 -1.10 -4.17 113.62 108.01 3m18 n SER 162 Ca 0.00 0.62 -0.10 0.00 -0.26 0.00 0.00 58.87 59.13 3m18 n SER 162 Cb 0.14 -1.50 0.01 0.00 -0.26 0.00 0.00 64.21 62.60 3m18 n SER 162 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3m18 n THR 163 N -3.09 -8.31 -3.74 6.66 -1.04 -0.48 -0.67 114.28 103.61 3m18 n THR 163 Ca 0.14 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 3m18 n THR 163 Cb 0.50 -5.86 0.00 0.00 -1.82 0.00 0.00 70.33 63.15 3m18 n THR 163 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3m18 n ASN 164 N -2.22 0.00 -1.76 8.00 4.13 -1.07 -1.93 115.26 120.42 3m18 n ASN 164 Ca -0.08 -0.75 -0.19 0.00 1.68 0.00 0.00 54.58 55.24 3m18 n ASN 164 Cb 0.56 0.00 0.09 0.00 -1.54 0.00 0.00 39.78 38.89 3m18 n ASN 164 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3m18 n GLN 165 N 0.00 2.85 -2.52 3.52 1.13 0.56 -4.33 117.38 118.59 3m18 n GLN 165 Ca 0.00 -3.71 -0.41 0.00 -1.94 0.00 0.00 57.00 50.94 3m18 n GLN 165 Cb 0.00 -2.12 -0.04 0.00 0.11 0.00 0.00 30.24 28.19 3m18 n GLN 165 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3m18 s LEU 166 N -3.53 4.50 -0.01 1.08 1.43 -0.96 -4.36 118.68 116.83 3m18 s LEU 166 Ca 0.51 2.10 0.13 0.00 -1.03 0.00 0.00 54.13 55.83 3m18 s LEU 166 Cb 0.42 -3.61 -0.16 0.00 0.03 0.00 0.00 46.19 42.88 3m18 s LEU 166 CO 0.01 -0.20 0.43 0.00 0.23 0.00 0.00 176.35 176.82 3m18 n GLN 167 N 2.25 1.83 -3.82 1.70 6.02 -1.26 -0.17 117.38 123.93 3m18 n GLN 167 Ca 0.02 -0.05 -0.02 0.00 -0.01 0.00 0.00 57.00 56.94 3m18 n GLN 167 Cb 0.46 -1.18 0.01 0.00 1.02 0.00 0.00 30.24 30.55 3m18 n GLN 167 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3m18 s SER 168 N -2.73 -0.05 0.12 1.08 1.04 -1.26 -1.10 113.70 110.79 3m18 s SER 168 Ca 0.01 -0.50 0.10 0.00 0.48 0.00 0.00 55.95 56.04 3m18 s SER 168 Cb 0.09 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.60 3m18 s SER 168 CO 0.52 -0.83 -0.24 0.68 0.98 0.00 0.00 173.24 174.35 3m18 s VAL 169 N -2.50 2.00 0.77 5.02 -7.23 -1.26 -4.69 120.40 112.50 3m18 s VAL 169 Ca 0.19 -1.65 -0.14 0.00 -1.81 0.00 0.00 61.98 58.57 3m18 s VAL 169 Cb -0.01 -1.79 0.06 0.00 0.56 0.00 0.00 36.38 35.21 3m18 s VAL 169 CO 0.03 0.02 1.19 -2.84 -0.31 0.00 0.00 175.10 173.19 3m18 s PRO 170 N -1.98 1.90 0.21 4.82 0.02 -1.26 -4.90 135.00 133.80 3m18 s PRO 170 Ca 0.10 1.70 -0.32 0.00 0.02 0.00 0.00 61.00 62.50 3m18 s PRO 170 Cb -0.10 -1.81 -0.13 0.00 0.02 0.00 0.00 34.50 32.48 3m18 s PRO 170 CO 0.05 -2.00 1.60 1.58 -0.33 0.00 0.00 177.00 177.90 3m18 n HIS 171 N -3.08 2.49 -1.27 6.54 -0.00 -1.26 -1.87 115.22 116.77 3m18 n HIS 171 Ca 0.13 0.22 -0.09 0.00 0.46 0.00 0.00 57.72 58.43 3m18 n HIS 171 Cb 0.51 -2.58 -0.04 0.00 -0.12 0.00 0.00 29.99 27.76 3m18 n HIS 171 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3m18 n GLY 172 N 3.22 1.02 0.32 1.57 0.00 -1.26 -4.90 105.19 105.17 3m18 n GLY 172 Ca 0.15 -0.20 0.29 0.00 0.00 0.00 0.00 46.02 46.25 3m18 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m18 h ALA 173 N 0.00 2.05 -0.47 4.61 0.00 -1.73 -0.13 119.26 123.60 3m18 h ALA 173 Ca -0.19 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3m18 h ALA 173 Cb 0.88 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3m18 h ALA 173 CO 0.28 -0.83 0.00 1.19 0.00 0.00 0.00 179.25 179.89 3m18 n PHE 174 N -5.22 0.61 -0.27 0.00 3.72 -1.26 -4.60 117.46 110.45 3m18 n PHE 174 Ca 0.35 -0.31 0.09 0.00 -0.05 0.00 0.00 57.45 57.53 3m18 n PHE 174 Cb 1.18 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.94 3m18 n PHE 174 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3m18 h ASP 175 N 4.28 -0.11 -0.03 4.37 3.32 -1.41 -2.02 116.42 124.83 3m18 h ASP 175 Ca 0.00 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3m18 h ASP 175 Cb 0.95 0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3m18 h ASP 175 CO 0.00 -0.13 0.00 0.54 -1.72 0.00 0.00 179.24 177.93 3m18 n ARG 176 N -5.25 1.57 -1.98 3.56 5.12 -1.26 -4.55 116.66 113.88 3m18 n ARG 176 Ca 0.17 -0.84 -0.40 0.00 -1.93 0.00 0.00 57.85 54.85 3m18 n ARG 176 Cb 0.56 -1.47 -0.01 0.00 -1.16 0.00 0.00 32.46 30.38 3m18 n ARG 176 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3m18 n LEU 177 N 0.02 7.84 0.21 0.55 4.77 -0.76 -4.40 117.00 125.23 3m18 n LEU 177 Ca 0.19 -4.77 0.15 0.00 -0.03 0.00 0.00 56.01 51.56 3m18 n LEU 177 Cb 0.32 -1.41 0.63 0.00 -2.33 0.00 0.00 43.42 40.62 3m18 n LEU 177 CO 0.16 1.91 0.94 1.23 -1.33 0.00 0.00 177.39 180.30 3m18 h GLY 178 N 6.28 0.00 -2.18 -0.72 0.00 -1.80 -2.36 103.07 102.30 3m18 h GLY 178 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.99 3m18 h GLY 178 CO 1.55 0.00 0.00 0.28 0.00 0.00 0.00 176.54 178.37 3m18 n LYS 179 N -2.69 2.48 -1.74 4.80 5.02 -1.25 -5.01 118.16 119.77 3m18 n LYS 179 Ca 0.01 -2.28 -0.42 0.00 -2.02 0.00 0.00 58.31 53.60 3m18 n LYS 179 Cb 0.25 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.77 3m18 n LYS 179 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3m18 n LEU 180 N 1.35 4.33 -0.05 -0.35 7.94 -0.82 -4.24 117.00 125.16 3m18 n LEU 180 Ca 0.19 1.13 -0.06 0.00 -1.11 0.00 0.00 56.01 56.16 3m18 n LEU 180 Cb 0.57 -1.60 -0.06 0.00 0.53 0.00 0.00 43.42 42.86 3m18 n LEU 180 CO 0.14 0.19 -0.81 0.00 -1.11 0.00 0.00 177.39 175.80 3m18 n GLN 181 N 2.57 1.47 -3.75 1.96 6.02 0.13 -4.99 117.38 120.80 3m18 n GLN 181 Ca 0.10 0.03 -0.14 0.00 -0.01 0.00 0.00 57.00 56.98 3m18 n GLN 181 Cb 0.36 -1.21 -0.15 0.00 1.02 0.00 0.00 30.24 30.26 3m18 n GLN 181 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3m18 s THR 182 N -2.21 -0.05 -0.01 5.09 2.01 -0.46 -4.34 115.64 115.67 3m18 s THR 182 Ca -0.09 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.12 3m18 s THR 182 Cb 0.03 -0.22 -0.00 0.00 0.01 0.00 0.00 72.50 72.32 3m18 s THR 182 CO 0.29 0.08 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.72 3m18 s ILE 183 N 1.17 0.59 -0.15 1.82 2.07 -0.00 -1.59 121.20 125.10 3m18 s ILE 183 Ca -0.09 -0.31 -0.04 0.00 -1.41 0.00 0.00 60.65 58.80 3m18 s ILE 183 Cb -0.12 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 41.93 3m18 s ILE 183 CO -0.06 0.17 -0.02 0.42 -1.91 0.00 0.00 174.94 173.55 3m18 s THR 184 N -0.08 4.09 0.00 4.00 -4.23 -0.90 -1.46 115.64 117.05 3m18 s THR 184 Ca 0.02 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 3m18 s THR 184 Cb -0.04 -2.79 0.00 0.00 1.34 0.00 0.00 72.50 71.01 3m18 s THR 184 CO -0.00 0.50 0.01 0.18 -0.54 0.00 0.00 174.62 174.78 3m18 n LEU 185 N 3.33 0.03 -4.69 4.79 4.77 -1.26 -1.80 117.00 122.17 3m18 n LEU 185 Ca -0.17 -0.18 -0.30 0.00 -0.03 0.00 0.00 56.01 55.33 3m18 n LEU 185 Cb 0.53 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.77 3m18 n LEU 185 CO 0.33 0.01 0.66 0.72 -1.33 0.00 0.00 177.39 177.77 3m18 s PHE 186 N -0.29 2.03 -0.72 -1.77 -0.12 -1.26 -4.02 117.98 111.82 3m18 s PHE 186 Ca 0.00 1.50 0.00 0.00 -0.05 0.00 0.00 56.93 58.38 3m18 s PHE 186 Cb 0.00 -3.18 0.00 0.00 -0.63 0.00 0.00 43.02 39.21 3m18 s PHE 186 CO 0.00 -2.57 0.00 0.41 -0.05 0.00 0.00 175.22 173.01 3m18 n GLY 187 N -0.47 0.59 0.00 1.99 0.00 -1.26 -1.39 105.19 104.65 3m18 n GLY 187 Ca 0.09 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3m18 n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m18 n ASN 188 N 0.72 0.53 -3.19 1.61 4.13 -1.26 -2.58 115.26 115.23 3m18 n ASN 188 Ca -0.08 0.00 -0.20 0.00 1.68 0.00 0.00 54.58 55.98 3m18 n ASN 188 Cb 0.37 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.57 3m18 n ASN 188 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3m18 n GLN 189 N 0.00 0.90 -1.72 3.52 3.00 0.76 -4.91 117.38 118.94 3m18 n GLN 189 Ca 0.00 -3.34 -0.42 0.00 -0.01 0.00 0.00 57.00 53.23 3m18 n GLN 189 Cb 0.00 -1.52 -0.03 0.00 0.00 0.00 0.00 30.24 28.69 3m18 n GLN 189 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3m18 s PHE 190 N -1.96 1.85 -0.69 1.08 0.08 -1.16 -4.02 117.98 113.17 3m18 s PHE 190 Ca 0.38 -0.16 -0.22 0.00 0.12 0.00 0.00 56.93 57.06 3m18 s PHE 190 Cb 0.28 -4.19 0.08 0.00 -0.57 0.00 0.00 43.02 38.62 3m18 s PHE 190 CO -0.09 -5.05 0.97 0.34 -0.10 0.00 0.00 175.22 171.29 3m18 s ASP 191 N 3.31 6.23 0.00 1.36 -1.08 -0.26 -0.43 116.67 125.80 3m18 s ASP 191 Ca 0.83 -1.16 0.22 0.00 -0.52 0.00 0.00 52.55 51.92 3m18 s ASP 191 Cb -0.44 -2.41 1.20 0.00 -1.46 0.00 0.00 42.92 39.81 3m18 s ASP 191 CO 0.38 -1.37 1.78 0.00 0.52 0.00 0.00 175.17 176.48 3m18 h SER 193 N 0.38 0.00 -3.68 0.00 4.64 -1.98 -3.47 113.55 109.44 3m18 h SER 193 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3m18 h SER 193 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3m18 h SER 193 CO 0.00 0.00 0.28 -0.13 -0.87 0.00 0.00 176.83 176.11 3m18 s ARG 194 N -3.25 4.70 0.51 4.77 0.52 -0.62 -4.95 118.95 120.62 3m18 s ARG 194 Ca 0.07 1.32 0.18 0.00 -0.52 0.00 0.00 55.73 56.78 3m18 s ARG 194 Cb 0.07 -3.20 1.27 0.00 0.52 0.00 0.00 34.95 33.61 3m18 s ARG 194 CO 0.63 0.50 2.09 0.00 0.02 0.00 0.00 175.30 178.54 3m18 h GLU 196 N 0.06 0.00 -1.01 0.00 3.07 -1.92 -2.14 114.58 112.65 3m18 h GLU 196 Ca 0.10 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 59.01 3m18 h GLU 196 Cb 0.33 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.18 3m18 h GLU 196 CO -0.01 0.00 0.65 1.15 -1.40 0.00 0.00 179.01 179.41 3m18 h THR 197 N 0.00 1.13 -0.75 1.13 2.02 -1.47 -3.11 112.91 111.86 3m18 h THR 197 Ca 0.05 -0.42 0.05 0.00 0.77 0.00 0.00 66.41 66.86 3m18 h THR 197 Cb 0.51 -0.20 -0.05 0.00 -1.74 0.00 0.00 68.15 66.66 3m18 h THR 197 CO -0.00 0.22 0.45 -0.07 0.37 0.00 0.00 175.52 176.49 3m18 h LEU 198 N 1.23 0.70 -0.28 2.58 3.38 -1.58 0.38 115.31 121.72 3m18 h LEU 198 Ca 0.42 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.42 3m18 h LEU 198 Cb 0.09 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3m18 h LEU 198 CO -0.15 0.46 0.13 0.22 0.09 0.00 0.00 178.44 179.19 3m18 h TYR 199 N 0.83 0.25 -0.18 1.13 3.20 -1.73 -1.93 116.97 118.54 3m18 h TYR 199 Ca 0.32 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.19 3m18 h TYR 199 Cb 0.14 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 3m18 h TYR 199 CO -0.05 0.14 0.05 1.25 -1.64 0.00 0.00 178.16 177.90 3m18 h LEU 200 N 0.28 0.27 -0.51 2.82 5.85 -1.06 -0.10 115.31 122.86 3m18 h LEU 200 Ca 0.12 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 3m18 h LEU 200 Cb 0.04 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3m18 h LEU 200 CO -0.08 0.42 0.31 0.77 -0.34 0.00 0.00 178.44 179.52 3m18 h SER 201 N 0.10 0.62 -0.67 1.25 4.64 -0.35 -1.21 113.55 117.94 3m18 h SER 201 Ca 0.06 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3m18 h SER 201 Cb 0.26 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 3m18 h SER 201 CO 0.00 0.50 0.20 -0.61 -0.87 0.00 0.00 176.83 176.04 3m18 h GLN 202 N 0.69 1.07 -0.00 4.77 5.75 -1.29 -0.99 115.11 125.11 3m18 h GLN 202 Ca 0.18 -0.23 0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3m18 h GLN 202 Cb -0.01 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 3m18 h GLN 202 CO -0.03 0.93 -0.15 2.35 -2.65 0.00 0.00 178.83 179.27 3m18 h TRP 203 N 1.03 -0.39 -0.43 3.99 7.01 -0.66 0.99 115.95 127.48 3m18 h TRP 203 Ca 0.22 0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.27 3m18 h TRP 203 Cb 0.32 0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.51 3m18 h TRP 203 CO 0.02 -0.22 0.20 0.82 -2.79 0.00 0.00 178.44 176.47 3m18 h ILE 204 N -0.25 0.94 -0.94 2.65 2.04 -1.04 0.26 117.51 121.16 3m18 h ILE 204 Ca 0.05 -0.14 0.09 0.00 1.00 0.00 0.00 64.86 65.87 3m18 h ILE 204 Cb 0.32 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 36.83 3m18 h ILE 204 CO -0.15 0.07 0.59 0.03 0.00 0.00 0.00 178.15 178.69 3m18 h ARG 205 N 0.40 0.96 0.00 2.37 3.08 -0.86 -1.17 114.38 119.16 3m18 h ARG 205 Ca 0.19 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3m18 h ARG 205 Cb 0.12 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3m18 h ARG 205 CO -0.15 0.63 0.00 0.93 -1.07 0.00 0.00 179.97 180.31 3m18 h GLU 206 N 0.99 0.00 -0.31 0.04 5.08 0.31 -3.33 114.58 117.36 3m18 h GLU 206 Ca 0.44 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.56 3m18 h GLU 206 Cb 0.34 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 29.27 3m18 h GLU 206 CO -0.23 0.00 -0.92 0.09 -1.00 0.00 0.00 179.01 176.96 3m18 n ASN 207 N -2.87 2.20 0.23 1.42 3.02 0.82 -4.92 115.26 115.16 3m18 n ASN 207 Ca 0.04 -2.75 0.07 0.00 -0.03 0.00 0.00 54.58 51.90 3m18 n ASN 207 Cb 0.45 -0.41 0.55 0.00 -0.61 0.00 0.00 39.78 39.76 3m18 n ASN 207 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3m18 h SER 208 N 1.78 0.00 0.79 6.41 4.64 -1.34 -0.93 113.55 124.90 3m18 h SER 208 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3m18 h SER 208 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 3m18 h SER 208 CO 0.26 0.18 0.00 -0.46 -0.87 0.00 0.00 176.83 175.94 3m18 n ASN 209 N -4.14 0.42 0.11 4.97 6.94 -1.26 -2.60 115.26 119.70 3m18 n ASN 209 Ca -0.02 0.59 0.12 0.00 -0.02 0.00 0.00 54.58 55.24 3m18 n ASN 209 Cb 0.26 -0.68 0.09 0.00 -2.36 0.00 0.00 39.78 37.08 3m18 n ASN 209 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 3m18 h LYS 210 N 0.00 0.00 -5.71 -3.83 1.57 -1.36 -3.43 116.57 103.82 3m18 h LYS 210 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 3m18 h LYS 210 Cb 0.39 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.57 3m18 h LYS 210 CO 0.00 0.00 0.31 0.08 -0.57 0.00 0.00 179.45 179.27 3m18 s VAL 211 N -3.28 4.71 0.19 0.50 1.01 -1.07 -0.82 120.40 121.63 3m18 s VAL 211 Ca 0.03 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.52 3m18 s VAL 211 Cb 0.10 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 3m18 s VAL 211 CO 0.75 -0.62 -0.06 -0.54 0.00 0.00 0.00 175.10 174.62 3m18 s LYS 212 N 3.15 1.20 0.00 2.72 1.02 -0.54 0.10 119.74 127.40 3m18 s LYS 212 Ca 0.29 -1.56 0.21 0.00 0.02 0.00 0.00 55.97 54.93 3m18 s LYS 212 Cb -0.13 -0.65 0.59 0.00 -0.52 0.00 0.00 37.83 37.13 3m18 s LYS 212 CO 0.21 0.00 1.47 -0.25 -0.92 0.00 0.00 175.35 175.86 3m18 n ASP 213 N -0.31 2.39 -1.96 2.83 8.00 -1.26 -4.29 116.55 121.96 3m18 n ASP 213 Ca -0.08 -1.84 -0.03 0.00 0.71 0.00 0.00 54.79 53.56 3m18 n ASP 213 Cb 0.62 -0.17 0.01 0.00 -0.02 0.00 0.00 41.12 41.56 3m18 n ASP 213 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m18 n GLY 214 N 1.28 1.22 0.12 0.44 0.00 -1.26 -5.07 105.19 101.92 3m18 n GLY 214 Ca 0.17 -1.07 0.05 0.00 0.00 0.00 0.00 46.02 45.18 3m18 n GLY 214 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3m18 n THR 215 N -0.30 0.00 -1.42 2.61 -2.24 -1.26 -4.82 114.28 106.85 3m18 n THR 215 Ca -0.02 -0.31 -0.29 0.00 -2.27 0.00 0.00 64.05 61.15 3m18 n THR 215 Cb 0.27 1.06 0.19 0.00 -2.10 0.00 0.00 70.33 69.76 3m18 n THR 215 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3m18 s GLY 216 N -1.77 1.63 0.66 3.38 0.00 -1.26 -5.05 107.32 104.91 3m18 s GLY 216 Ca 0.07 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 43.81 3m18 s GLY 216 CO 0.37 -0.10 1.07 1.20 0.00 0.00 0.00 173.10 175.64 3m18 s GLN 217 N -5.45 2.97 -1.86 2.90 -1.52 -1.26 -4.24 119.66 111.20 3m18 s GLN 217 Ca 0.69 1.12 0.00 0.00 -1.95 0.00 0.00 55.36 55.22 3m18 s GLN 217 Cb -0.10 -1.99 0.00 0.00 -0.22 0.00 0.00 33.01 30.70 3m18 s GLN 217 CO 0.55 -1.08 0.00 0.09 -0.25 0.00 0.00 175.29 174.59 3m18 n ASN 218 N -2.70 -5.88 -4.67 5.90 3.02 -1.26 -4.98 115.26 104.70 3m18 n ASN 218 Ca 0.08 0.06 -0.36 0.00 -0.03 0.00 0.00 54.58 54.33 3m18 n ASN 218 Cb 0.53 -4.93 -0.09 0.00 -0.61 0.00 0.00 39.78 34.67 3m18 n ASN 218 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3m18 s LEU 219 N -5.85 4.13 0.41 3.41 2.96 -1.26 -5.07 118.68 117.40 3m18 s LEU 219 Ca 0.00 0.16 -0.26 0.00 -0.22 0.00 0.00 54.13 53.81 3m18 s LEU 219 Cb 0.00 -2.14 -0.09 0.00 0.50 0.00 0.00 46.19 44.46 3m18 s LEU 219 CO 0.00 0.07 1.34 -2.28 -1.32 0.00 0.00 176.35 174.16 3m18 s HIS 220 N 1.00 2.74 0.64 5.38 5.65 -1.26 -4.97 115.29 124.47 3m18 s HIS 220 Ca 0.09 1.36 -0.18 0.00 0.25 0.00 0.00 55.06 56.58 3m18 s HIS 220 Cb -0.13 -3.75 -0.04 0.00 -1.18 0.00 0.00 32.58 27.48 3m18 s HIS 220 CO 0.04 -2.32 0.92 -0.85 -0.65 0.00 0.00 174.74 171.87 3m18 n GLU 221 N 0.13 0.74 -3.14 2.88 0.28 -1.26 -4.81 120.64 115.47 3m18 n GLU 221 Ca 0.03 0.30 -0.22 0.00 -0.16 0.00 0.00 57.16 57.11 3m18 n GLU 221 Cb 0.43 -2.14 -0.04 0.00 1.43 0.00 0.00 31.44 31.11 3m18 n GLU 221 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 3m18 n SER 222 N -0.92 2.03 0.27 -1.84 7.64 0.29 -4.95 113.62 116.15 3m18 n SER 222 Ca 0.14 -3.19 0.13 0.00 1.01 0.00 0.00 58.87 56.95 3m18 n SER 222 Cb 0.48 -0.61 0.79 0.00 -1.01 0.00 0.00 64.21 63.86 3m18 n SER 222 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3m18 h PRO 223 N 3.24 0.00 -0.15 1.43 0.13 -1.75 -1.31 132.00 133.59 3m18 h PRO 223 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3m18 h PRO 223 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3m18 h PRO 223 CO 0.61 0.07 0.00 -0.25 -0.23 0.00 0.00 178.00 178.20 3m18 n ASP 224 N -3.81 1.88 -0.08 1.44 8.00 -1.26 -3.99 116.55 118.73 3m18 n ASP 224 Ca -0.02 -1.71 0.14 0.00 0.71 0.00 0.00 54.79 53.91 3m18 n ASP 224 Cb 0.17 -0.09 0.64 0.00 -0.02 0.00 0.00 41.12 41.81 3m18 n ASP 224 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m18 n GLY 225 N 1.19 -1.05 3.53 0.44 0.00 -0.49 -4.69 105.19 104.11 3m18 n GLY 225 Ca 0.17 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 3m18 n GLY 225 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m18 s VAL 226 N -2.52 4.94 0.07 1.61 1.01 -1.26 -4.76 120.40 119.49 3m18 s VAL 226 Ca 0.28 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.35 3m18 s VAL 226 Cb 0.20 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 3m18 s VAL 226 CO 0.48 0.26 -0.20 -0.89 0.00 0.00 0.00 175.10 174.75 3m18 s THR 227 N 1.70 1.62 0.83 3.92 2.01 -1.26 -1.71 115.64 122.75 3m18 s THR 227 Ca 0.07 -1.33 -0.10 0.00 0.31 0.00 0.00 61.69 60.64 3m18 s THR 227 Cb -0.16 -1.45 0.09 0.00 0.01 0.00 0.00 72.50 71.00 3m18 s THR 227 CO 0.08 0.07 1.11 0.00 -0.69 0.00 0.00 174.62 175.19 3m18 h SER 229 N -1.41 0.00 -0.19 0.00 4.64 -1.01 -0.90 113.55 114.69 3m18 h SER 229 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3m18 h SER 229 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3m18 h SER 229 CO 0.48 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.54 3m18 n ASP 230 N -3.03 2.34 0.00 4.97 5.68 -1.26 -4.94 116.55 120.30 3m18 n ASP 230 Ca -0.02 -1.80 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 3m18 n ASP 230 Cb 0.22 -0.12 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 3m18 n ASP 230 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m18 n GLY 231 N 1.27 2.69 3.76 6.12 0.00 -0.34 -5.07 105.19 113.63 3m18 n GLY 231 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3m18 n GLY 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m18 s LYS 232 N -0.96 3.57 0.15 1.61 1.02 -1.26 -4.65 119.74 119.21 3m18 s LYS 232 Ca 0.00 1.89 -0.31 0.00 0.02 0.00 0.00 55.97 57.58 3m18 s LYS 232 Cb 0.00 -2.35 -0.08 0.00 -0.52 0.00 0.00 37.83 34.88 3m18 s LYS 232 CO 0.00 -0.74 1.35 0.08 -0.92 0.00 0.00 175.35 175.12 3m18 s VAL 233 N -1.49 3.29 0.11 3.17 1.01 -1.26 0.26 120.40 125.48 3m18 s VAL 233 Ca 0.66 0.97 -0.22 0.00 0.00 0.00 0.00 61.98 63.40 3m18 s VAL 233 Cb -0.32 -3.62 -0.10 0.00 0.00 0.00 0.00 36.38 32.34 3m18 s VAL 233 CO 0.38 0.10 1.73 0.58 0.00 0.00 0.00 175.10 177.90 3m18 h VAL 234 N 4.06 0.95 0.00 2.92 2.07 -1.64 -3.10 116.25 121.52 3m18 h VAL 234 Ca -0.43 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3m18 h VAL 234 Cb 1.21 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 3m18 h VAL 234 CO 0.83 0.01 0.00 -2.11 0.02 0.00 0.00 177.57 176.31 3m18 n ARG 235 N -5.10 0.12 0.00 1.57 1.85 -1.26 -0.87 116.66 112.96 3m18 n ARG 235 Ca -0.05 0.55 0.14 0.00 -1.00 0.00 0.00 57.85 57.49 3m18 n ARG 235 Cb 0.06 -1.84 0.61 0.00 -1.05 0.00 0.00 32.46 30.24 3m18 n ARG 235 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3m18 n THR 236 N -2.07 0.00 -3.15 8.89 -2.24 -1.17 -4.78 114.28 109.76 3m18 n THR 236 Ca -0.00 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 3m18 n THR 236 Cb 0.07 -0.23 -0.07 0.00 -2.10 0.00 0.00 70.33 68.00 3m18 n THR 236 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3m18 s VAL 237 N -2.67 4.94 0.50 2.28 1.01 -0.05 -4.96 120.40 121.46 3m18 s VAL 237 Ca 0.24 0.60 0.05 0.00 0.00 0.00 0.00 61.98 62.87 3m18 s VAL 237 Cb 0.20 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3m18 s VAL 237 CO 0.51 -0.23 0.23 0.42 0.00 0.00 0.00 175.10 176.03 3m18 s THR 238 N 2.60 1.66 0.35 3.92 -4.23 -1.26 -4.66 115.64 114.03 3m18 s THR 238 Ca 0.23 -1.69 0.06 0.00 -1.18 0.00 0.00 61.69 59.11 3m18 s THR 238 Cb -0.15 -2.35 0.30 0.00 1.34 0.00 0.00 72.50 71.64 3m18 s THR 238 CO 0.14 0.00 1.94 0.78 -0.54 0.00 0.00 174.62 176.93 3m18 h ASN 239 N 1.08 0.69 -0.38 3.99 4.21 -1.95 -2.32 115.58 120.90 3m18 h ASN 239 Ca -0.40 0.01 -0.13 0.00 1.21 0.00 0.00 56.30 56.99 3m18 h ASN 239 Cb 1.29 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 38.35 3m18 h ASN 239 CO 0.65 0.43 -0.28 -0.33 -1.29 0.00 0.00 177.43 176.61 3m18 h GLU 240 N 0.77 0.85 -0.86 0.81 3.07 -1.97 -1.78 114.58 115.47 3m18 h GLU 240 Ca 0.35 -0.41 0.16 0.00 -0.50 0.00 0.00 59.36 58.95 3m18 h GLU 240 Cb 0.35 -0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.16 3m18 h GLU 240 CO -0.13 1.06 0.44 1.15 -1.40 0.00 0.00 179.01 180.13 3m18 h THR 241 N 0.66 0.70 -0.75 1.13 2.02 -1.80 -1.88 112.91 113.00 3m18 h THR 241 Ca 0.07 -0.21 -0.29 0.00 0.77 0.00 0.00 66.41 66.75 3m18 h THR 241 Cb 0.85 0.04 -0.17 0.00 -1.74 0.00 0.00 68.15 67.13 3m18 h THR 241 CO 0.07 0.11 0.33 0.18 0.37 0.00 0.00 175.52 176.59 3m18 n LEU 242 N -4.89 5.96 -0.36 2.58 4.77 -1.05 -4.62 117.00 119.39 3m18 n LEU 242 Ca 0.18 -3.39 0.02 0.00 -0.03 0.00 0.00 56.01 52.79 3m18 n LEU 242 Cb 0.46 -0.75 0.16 0.00 -2.33 0.00 0.00 43.42 40.97 3m18 n LEU 242 CO 0.20 0.93 1.26 0.07 -1.33 0.00 0.00 177.39 178.52 3m18 h LYS 243 N 1.94 1.14 -0.10 3.23 2.10 -0.46 0.36 116.57 124.79 3m18 h LYS 243 Ca 0.36 -0.07 -0.01 0.00 -2.00 0.00 0.00 60.65 58.93 3m18 h LYS 243 Cb 2.38 -0.26 -0.00 0.00 -0.90 0.00 0.00 32.23 33.45 3m18 h LYS 243 CO 0.78 0.75 0.03 -0.92 -2.00 0.00 0.00 179.45 178.10 3m18 h TYR 244 N 1.18 0.15 -0.03 0.07 3.20 -1.83 -3.21 116.97 116.50 3m18 h TYR 244 Ca 0.42 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 62.11 3m18 h TYR 244 Cb 0.14 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3m18 h TYR 244 CO -0.00 0.29 -0.71 0.93 -1.64 0.00 0.00 178.16 177.02 3m18 h GLU 245 N -0.03 0.15 0.00 1.82 4.39 -1.82 -3.55 114.58 115.55 3m18 h GLU 245 Ca 0.03 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.60 3m18 h GLU 245 Cb 0.21 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3m18 h GLU 245 CO -0.00 0.80 0.00 0.00 -1.16 0.00 0.00 179.01 178.65