#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m19 h GLU 4 N 0.00 0.96 -0.10 0.00 5.08 -1.94 -1.56 114.58 117.01 3m19 h GLU 4 Ca 0.00 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.05 3m19 h GLU 4 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3m19 h GLU 4 CO 0.00 0.90 -0.19 1.79 -1.00 0.00 0.00 179.01 180.51 3m19 h THR 5 N 0.90 1.39 -0.49 1.13 1.35 -1.97 -0.45 112.91 114.78 3m19 h THR 5 Ca 0.18 -1.47 -0.09 0.00 -0.55 0.00 0.00 66.41 64.48 3m19 h THR 5 Cb 0.42 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.94 3m19 h THR 5 CO 0.01 0.42 -0.03 0.58 -0.25 0.00 0.00 175.52 176.25 3m19 h VAL 6 N -0.14 1.27 0.17 6.82 2.07 -1.90 -3.31 116.25 121.22 3m19 h VAL 6 Ca 0.00 -1.12 -0.33 0.00 0.82 0.00 0.00 66.70 66.07 3m19 h VAL 6 Cb 0.77 1.02 0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3m19 h VAL 6 CO 0.04 0.39 -1.58 0.71 0.02 0.00 0.00 177.57 177.16 3m19 h THR 7 N 0.74 1.13 0.00 2.57 1.35 -1.38 -3.42 112.91 113.90 3m19 h THR 7 Ca 0.13 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 63.29 3m19 h THR 7 Cb 0.56 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 3m19 h THR 7 CO 0.03 0.84 0.00 0.61 -0.25 0.00 0.00 175.52 176.75 3m19 n GLY 8 N 1.73 0.69 3.76 5.82 0.00 -0.18 -4.80 105.19 112.21 3m19 n GLY 8 Ca -0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 3m19 n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m19 s THR 10 N -2.63 4.58 0.01 0.00 2.01 -0.47 -4.50 115.64 114.63 3m19 s THR 10 Ca 0.38 2.00 0.08 0.00 0.31 0.00 0.00 61.69 64.46 3m19 s THR 10 Cb 0.03 -4.29 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 3m19 s THR 10 CO 0.21 0.31 -0.23 0.00 -0.69 0.00 0.00 174.62 174.21 3m19 s ASN 12 N -0.81 2.97 0.19 0.00 3.84 -0.36 -5.00 114.94 115.77 3m19 s ASN 12 Ca 0.09 -0.96 -0.07 0.00 0.21 0.00 0.00 52.86 52.13 3m19 s ASN 12 Cb -0.09 -0.35 0.12 0.00 -0.55 0.00 0.00 41.25 40.37 3m19 s ASN 12 CO 0.00 -0.39 1.61 -0.08 -2.79 0.00 0.00 177.10 175.45 3m19 h GLU 13 N 8.38 0.89 -0.76 0.43 4.57 -1.96 -0.67 114.58 125.46 3m19 h GLU 13 Ca -0.17 -0.35 0.17 0.00 -1.18 0.00 0.00 59.36 57.82 3m19 h GLU 13 Cb 1.08 -0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.52 3m19 h GLU 13 CO 0.37 1.00 0.20 0.78 -1.18 0.00 0.00 179.01 180.18 3m19 h GLY 14 N 0.94 1.09 -0.81 1.92 0.00 -1.96 -0.15 103.07 104.10 3m19 h GLY 14 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3m19 h GLY 14 CO 0.06 -0.21 -0.02 0.28 0.00 0.00 0.00 176.54 176.65 3m19 n LYS 15 N -5.14 1.79 -3.79 4.80 5.02 -1.07 -4.94 118.16 114.83 3m19 n LYS 15 Ca 0.15 -1.19 -0.23 0.00 -2.02 0.00 0.00 58.31 55.02 3m19 n LYS 15 Cb 0.49 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 34.04 3m19 n LYS 15 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3m19 n LYS 16 N 0.43 -4.57 -4.96 1.97 4.76 -0.07 -4.52 118.16 111.21 3m19 n LYS 16 Ca 0.17 0.56 -0.32 0.00 -2.87 0.00 0.00 58.31 55.85 3m19 n LYS 16 Cb 0.42 -5.06 -0.14 0.00 -1.84 0.00 0.00 35.03 28.41 3m19 n LYS 16 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3m19 s GLU 17 N -6.19 2.72 -0.19 1.97 2.12 -0.34 -0.22 118.70 118.58 3m19 s GLU 17 Ca 0.08 -0.75 0.01 0.00 0.36 0.00 0.00 54.97 54.67 3m19 s GLU 17 Cb -0.04 -2.38 0.02 0.00 0.26 0.00 0.00 34.13 31.99 3m19 s GLU 17 CO 0.83 0.47 -0.19 0.08 -0.54 0.00 0.00 175.26 175.91 3m19 s VAL 18 N -0.33 2.13 -0.35 3.70 1.01 -0.28 -1.23 120.40 125.05 3m19 s VAL 18 Ca 0.03 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 3m19 s VAL 18 Cb -0.13 -1.92 0.08 0.00 0.00 0.00 0.00 36.38 34.41 3m19 s VAL 18 CO 0.02 0.49 0.09 -0.62 0.00 0.00 0.00 175.10 175.08 3m19 s ASP 19 N 1.29 5.03 -0.05 3.32 2.15 0.12 -1.20 116.67 127.33 3m19 s ASP 19 Ca 0.04 -1.66 0.15 0.00 0.43 0.00 0.00 52.55 51.51 3m19 s ASP 19 Cb -0.14 -1.75 0.47 0.00 -0.30 0.00 0.00 42.92 41.21 3m19 s ASP 19 CO -0.12 -0.39 1.40 0.00 -0.17 0.00 0.00 175.17 175.89 3m19 n GLN 21 N 0.66 1.71 -0.53 0.00 10.64 -1.17 -1.27 117.38 127.42 3m19 n GLN 21 Ca 0.18 0.62 0.00 0.00 -1.83 0.00 0.00 57.00 55.96 3m19 n GLN 21 Cb 0.61 -2.34 0.00 0.00 -0.86 0.00 0.00 30.24 27.66 3m19 n GLN 21 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3m19 n GLY 22 N 3.15 1.61 3.78 2.61 0.00 -0.83 -5.00 105.19 110.51 3m19 n GLY 22 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3m19 n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m19 s LYS 23 N -0.12 4.14 0.09 1.61 -0.14 -0.39 -4.90 119.74 120.02 3m19 s LYS 23 Ca 0.00 0.39 -0.31 0.00 -1.36 0.00 0.00 55.97 54.69 3m19 s LYS 23 Cb 0.00 -3.33 -0.07 0.00 -1.68 0.00 0.00 37.83 32.75 3m19 s LYS 23 CO 0.00 0.42 1.33 0.45 -0.76 0.00 0.00 175.35 176.79 3m19 s SER 24 N -0.21 6.90 -0.04 2.83 0.15 -1.26 -4.26 113.70 117.81 3m19 s SER 24 Ca 0.24 2.22 0.03 0.00 0.70 0.00 0.00 55.95 59.14 3m19 s SER 24 Cb -0.16 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 3m19 s SER 24 CO 0.11 -0.60 -0.12 -0.76 1.20 0.00 0.00 173.24 173.07 3m19 s LEU 25 N 1.15 1.80 0.17 3.45 1.43 0.30 -5.02 118.68 121.96 3m19 s LEU 25 Ca 0.63 -0.25 0.24 0.00 -1.03 0.00 0.00 54.13 53.71 3m19 s LEU 25 Cb -0.34 -0.72 0.28 0.00 0.03 0.00 0.00 46.19 45.44 3m19 s LEU 25 CO 0.30 0.09 1.29 0.44 0.23 0.00 0.00 176.35 178.70 3m19 h ASP 26 N 6.42 0.00 -5.01 2.29 3.32 -1.91 -3.38 116.42 118.15 3m19 h ASP 26 Ca -0.33 -0.13 0.13 0.00 0.02 0.00 0.00 57.03 56.72 3m19 h ASP 26 Cb 1.17 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.61 3m19 h ASP 26 CO 0.48 0.07 0.46 -0.94 -1.72 0.00 0.00 179.24 177.59 3m19 s SER 27 N -4.69 -0.29 0.25 6.45 1.04 -1.26 -4.87 113.70 110.34 3m19 s SER 27 Ca 0.05 -0.22 -0.31 0.00 0.48 0.00 0.00 55.95 55.95 3m19 s SER 27 Cb 0.12 0.46 -0.12 0.00 0.10 0.00 0.00 66.02 66.58 3m19 s SER 27 CO 0.73 -0.81 1.66 0.52 0.98 0.00 0.00 173.24 176.32 3m19 n VAL 28 N -0.37 0.55 -1.41 5.02 0.31 -1.26 -4.93 118.33 116.23 3m19 n VAL 28 Ca -0.08 -0.14 -0.34 0.00 -0.01 0.00 0.00 64.34 63.78 3m19 n VAL 28 Cb 0.61 -1.98 0.09 0.00 -0.91 0.00 0.00 33.84 31.66 3m19 n VAL 28 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3m19 s PRO 29 N 0.27 2.14 0.61 5.55 0.04 -1.26 -5.03 135.00 137.32 3m19 s PRO 29 Ca 0.69 1.67 -0.06 0.00 0.04 0.00 0.00 61.00 63.34 3m19 s PRO 29 Cb -0.50 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.22 3m19 s PRO 29 CO 0.41 -1.81 0.92 -1.12 0.04 0.00 0.00 177.00 175.44 3m19 s SER 30 N -2.22 5.43 0.00 6.66 0.01 -1.26 -4.39 113.70 117.93 3m19 s SER 30 Ca 0.72 0.65 0.00 0.00 1.31 0.00 0.00 55.95 58.63 3m19 s SER 30 Cb -0.27 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.39 3m19 s SER 30 CO 0.46 -1.18 0.00 0.61 0.41 0.00 0.00 173.24 173.55 3m19 n GLY 31 N -2.65 0.56 3.67 3.44 0.00 -1.26 -3.93 105.19 105.02 3m19 n GLY 31 Ca 0.05 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3m19 n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3m19 s ILE 32 N -2.00 3.47 0.40 -0.61 1.01 -1.26 -4.74 121.20 117.47 3m19 s ILE 32 Ca 0.00 0.72 -0.26 0.00 0.00 0.00 0.00 60.65 61.11 3m19 s ILE 32 Cb 0.00 -3.46 -0.10 0.00 0.01 0.00 0.00 42.46 38.90 3m19 s ILE 32 CO 0.00 -0.04 1.20 -2.65 0.00 0.00 0.00 174.94 173.46 3m19 n PRO 33 N 6.44 1.80 0.28 2.79 -0.02 -1.26 -4.86 135.00 140.17 3m19 n PRO 33 Ca 0.16 0.64 0.15 0.00 -2.02 0.00 0.00 63.50 62.43 3m19 n PRO 33 Cb 0.42 -2.27 0.83 0.00 -0.02 0.00 0.00 33.50 32.46 3m19 n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3m19 h ALA 34 N 2.03 1.28 -0.30 3.55 0.00 -1.92 -1.69 119.26 122.21 3m19 h ALA 34 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3m19 h ALA 34 Cb 1.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3m19 h ALA 34 CO 0.60 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.53 3m19 n ASP 35 N -3.57 2.18 -4.77 0.00 5.75 -1.26 -4.27 116.55 110.60 3m19 n ASP 35 Ca -0.02 -1.86 -0.41 0.00 -0.01 0.00 0.00 54.79 52.49 3m19 n ASP 35 Cb 0.19 -0.19 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 3m19 n ASP 35 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3m19 s THR 36 N -1.61 2.09 -0.16 2.12 2.01 -0.64 -4.85 115.64 114.60 3m19 s THR 36 Ca 0.32 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.44 3m19 s THR 36 Cb 0.17 -3.06 -0.12 0.00 0.01 0.00 0.00 72.50 69.51 3m19 s THR 36 CO 0.25 0.02 -0.11 -0.62 -0.69 0.00 0.00 174.62 173.46 3m19 n GLU 37 N 0.89 0.68 -4.07 4.92 1.02 0.70 -2.64 120.64 122.13 3m19 n GLU 37 Ca 0.03 0.08 -0.32 0.00 -0.02 0.00 0.00 57.16 56.93 3m19 n GLU 37 Cb 0.39 -1.34 -0.16 0.00 -0.02 0.00 0.00 31.44 30.31 3m19 n GLU 37 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3m19 s LYS 38 N -2.33 2.64 -0.19 3.49 2.20 -0.66 0.25 119.74 125.13 3m19 s LYS 38 Ca -0.20 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.63 3m19 s LYS 38 Cb 0.05 -2.44 0.04 0.00 -1.51 0.00 0.00 37.83 33.98 3m19 s LYS 38 CO 0.42 -0.27 -0.08 -1.17 -0.36 0.00 0.00 175.35 173.89 3m19 s LEU 39 N 1.34 2.13 -0.39 5.43 2.96 -0.55 -1.13 118.68 128.48 3m19 s LEU 39 Ca 0.03 -0.87 -0.13 0.00 -0.22 0.00 0.00 54.13 52.95 3m19 s LEU 39 Cb -0.14 -1.14 0.03 0.00 0.50 0.00 0.00 46.19 45.45 3m19 s LEU 39 CO -0.11 -0.17 0.25 -0.62 -1.32 0.00 0.00 176.35 174.38 3m19 s ASP 40 N 1.46 5.89 -0.16 3.68 -1.08 -0.34 -1.88 116.67 124.25 3m19 s ASP 40 Ca -0.01 -0.99 0.16 0.00 -0.52 0.00 0.00 52.55 51.18 3m19 s ASP 40 Cb -0.16 -2.08 0.35 0.00 -1.46 0.00 0.00 42.92 39.57 3m19 s ASP 40 CO -0.08 -0.43 1.20 0.18 0.52 0.00 0.00 175.17 176.56 3m19 n LEU 41 N 5.06 2.59 -4.77 -1.34 4.77 0.70 -0.39 117.00 123.62 3m19 n LEU 41 Ca -0.11 -3.37 -0.38 0.00 -0.03 0.00 0.00 56.01 52.12 3m19 n LEU 41 Cb 0.46 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 3m19 n LEU 41 CO 0.39 0.95 0.76 0.00 -1.33 0.00 0.00 177.39 178.15 3m19 s GLN 42 N -3.00 4.25 -1.26 3.23 -2.07 -1.01 -3.71 119.66 116.09 3m19 s GLN 42 Ca 0.35 1.62 -0.09 0.00 -1.82 0.00 0.00 55.36 55.42 3m19 s GLN 42 Cb 0.32 -2.70 -0.01 0.00 -1.09 0.00 0.00 33.01 29.53 3m19 s GLN 42 CO 0.00 -0.09 0.66 0.43 -1.32 0.00 0.00 175.29 174.97 3m19 n SER 43 N 0.23 -2.76 -0.15 12.60 7.64 -0.70 -1.97 113.62 128.51 3m19 n SER 43 Ca 0.04 -0.95 0.02 0.00 1.01 0.00 0.00 58.87 58.99 3m19 n SER 43 Cb 0.48 -3.53 0.01 0.00 -1.01 0.00 0.00 64.21 60.16 3m19 n SER 43 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3m19 n THR 44 N -4.23 0.00 -1.37 0.44 -2.24 -1.24 -2.60 114.28 103.04 3m19 n THR 44 Ca -0.21 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 60.99 3m19 n THR 44 Cb 0.64 1.08 -0.04 0.00 -2.10 0.00 0.00 70.33 69.91 3m19 n THR 44 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3m19 n GLY 45 N 0.45 1.01 3.77 3.38 0.00 -1.26 -0.53 105.19 112.00 3m19 n GLY 45 Ca 0.02 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 3m19 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m19 s LEU 46 N -2.24 4.23 -0.02 0.99 1.43 -1.26 -4.62 118.68 117.20 3m19 s LEU 46 Ca 0.00 2.74 0.02 0.00 -1.03 0.00 0.00 54.13 55.85 3m19 s LEU 46 Cb 0.00 -3.86 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 3m19 s LEU 46 CO 0.00 -0.87 0.01 0.00 0.23 0.00 0.00 176.35 175.72 3m19 n ALA 47 N 0.19 1.97 -2.97 4.21 0.00 -1.26 -0.60 120.51 122.04 3m19 n ALA 47 Ca 0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.26 3m19 n ALA 47 Cb 0.43 0.18 -0.11 0.00 0.00 0.00 0.00 19.45 19.95 3m19 n ALA 47 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3m19 s THR 48 N -2.06 0.11 0.08 0.00 -4.23 -1.26 -3.30 115.64 104.98 3m19 s THR 48 Ca -0.01 -0.91 0.03 0.00 -1.18 0.00 0.00 61.69 59.63 3m19 s THR 48 Cb 0.01 -0.31 -0.03 0.00 1.34 0.00 0.00 72.50 73.50 3m19 s THR 48 CO 0.08 -0.50 -0.10 -0.76 -0.54 0.00 0.00 174.62 172.80 3m19 s LEU 49 N -1.49 2.35 0.38 4.79 1.43 -1.26 -4.92 118.68 119.97 3m19 s LEU 49 Ca -0.15 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.26 3m19 s LEU 49 Cb -0.09 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.82 3m19 s LEU 49 CO -0.01 -0.24 0.09 -0.94 0.23 0.00 0.00 176.35 175.48 3m19 s SER 50 N -2.14 2.73 0.65 2.29 1.04 -1.26 -3.64 113.70 113.37 3m19 s SER 50 Ca 0.00 -1.54 0.35 0.00 0.48 0.00 0.00 55.95 55.25 3m19 s SER 50 Cb -0.05 0.25 1.95 0.00 0.10 0.00 0.00 66.02 68.27 3m19 s SER 50 CO -0.00 -0.78 2.14 0.44 0.98 0.00 0.00 173.24 176.01 3m19 h ASP 51 N 1.89 0.00 1.19 7.02 3.32 -1.89 -1.86 116.42 126.10 3m19 h ASP 51 Ca -0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.67 3m19 h ASP 51 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3m19 h ASP 51 CO 0.64 0.00 -0.48 0.00 -1.72 0.00 0.00 179.24 177.68 3m19 h ALA 52 N 1.69 0.71 -0.03 3.45 0.00 -1.92 -3.36 119.26 119.80 3m19 h ALA 52 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3m19 h ALA 52 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3m19 h ALA 52 CO -0.00 0.00 0.02 1.15 0.00 0.00 0.00 179.25 180.42 3m19 h THR 53 N 0.00 1.04 -0.27 0.00 2.02 -1.67 -3.08 112.91 110.96 3m19 h THR 53 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3m19 h THR 53 Cb 0.83 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 3m19 h THR 53 CO 0.00 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.42 3m19 n PHE 54 N -5.05 0.48 -1.60 3.16 3.72 -1.26 -5.01 117.46 111.90 3m19 n PHE 54 Ca -0.07 -0.60 -0.55 0.00 -0.05 0.00 0.00 57.45 56.18 3m19 n PHE 54 Cb 0.05 -0.10 -0.07 0.00 -0.94 0.00 0.00 39.48 38.43 3m19 n PHE 54 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3m19 n ARG 55 N 0.07 0.90 0.00 -1.08 3.00 -1.17 -1.67 116.66 116.71 3m19 n ARG 55 Ca 0.12 0.32 0.00 0.00 -0.00 0.00 0.00 57.85 58.30 3m19 n ARG 55 Cb 0.51 -1.94 0.00 0.00 0.00 0.00 0.00 32.46 31.03 3m19 n ARG 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3m19 n GLY 56 N 2.67 2.50 2.37 5.14 0.00 -1.26 -4.92 105.19 111.68 3m19 n GLY 56 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3m19 n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3m19 n LEU 57 N 0.00 8.55 0.02 0.99 4.77 -0.67 -4.65 117.00 126.00 3m19 n LEU 57 Ca 0.00 -4.43 0.10 0.00 -0.03 0.00 0.00 56.01 51.64 3m19 n LEU 57 Cb 0.00 -1.54 0.41 0.00 -2.33 0.00 0.00 43.42 39.97 3m19 n LEU 57 CO 0.00 2.01 0.81 0.35 -1.33 0.00 0.00 177.39 179.23 3m19 n THR 58 N 3.40 0.71 1.14 -5.08 -2.24 -1.26 -2.51 114.28 108.45 3m19 n THR 58 Ca 0.75 0.16 0.12 0.00 -2.27 0.00 0.00 64.05 62.81 3m19 n THR 58 Cb 0.24 -0.87 0.21 0.00 -2.10 0.00 0.00 70.33 67.81 3m19 n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3m19 n LYS 59 N -1.62 1.76 -1.94 -0.78 4.76 -1.26 -4.43 118.16 114.65 3m19 n LYS 59 Ca 0.04 -1.34 -0.42 0.00 -2.87 0.00 0.00 58.31 53.72 3m19 n LYS 59 Cb 0.23 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 3m19 n LYS 59 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3m19 s LEU 60 N -2.16 4.37 -0.00 -0.35 2.96 -1.04 -4.34 118.68 118.12 3m19 s LEU 60 Ca 0.28 2.65 0.04 0.00 -0.22 0.00 0.00 54.13 56.88 3m19 s LEU 60 Cb 0.20 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.23 3m19 s LEU 60 CO 0.39 -0.80 0.11 0.35 -1.32 0.00 0.00 176.35 175.09 3m19 n THR 61 N 3.42 0.00 -3.70 3.68 -2.24 0.14 -2.77 114.28 112.81 3m19 n THR 61 Ca 0.12 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 3m19 n THR 61 Cb 0.39 0.66 -0.15 0.00 -2.10 0.00 0.00 70.33 69.12 3m19 n THR 61 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3m19 s TRP 62 N -1.88 -0.17 -0.07 4.78 -0.00 -0.55 -0.56 118.94 120.51 3m19 s TRP 62 Ca -0.00 0.56 -0.01 0.00 -0.00 0.00 0.00 56.10 56.64 3m19 s TRP 62 Cb 0.03 -0.21 0.03 0.00 -0.00 0.00 0.00 33.47 33.32 3m19 s TRP 62 CO 0.15 -0.23 0.01 -1.17 -0.00 0.00 0.00 176.95 175.71 3m19 s LEU 63 N 1.90 0.57 -0.25 5.86 2.96 -0.56 -1.48 118.68 127.68 3m19 s LEU 63 Ca -0.01 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3m19 s LEU 63 Cb -0.12 -0.40 0.03 0.00 0.50 0.00 0.00 46.19 46.21 3m19 s LEU 63 CO -0.06 -0.19 -0.08 0.21 -1.32 0.00 0.00 176.35 174.91 3m19 s ASN 64 N 1.94 4.30 -0.23 3.68 3.84 -0.79 -1.20 114.94 126.48 3m19 s ASN 64 Ca 0.04 -1.00 0.13 0.00 0.21 0.00 0.00 52.86 52.24 3m19 s ASN 64 Cb -0.12 -1.63 0.46 0.00 -0.55 0.00 0.00 41.25 39.40 3m19 s ASN 64 CO -0.05 -0.14 1.35 0.18 -2.79 0.00 0.00 177.10 175.65 3m19 n LEU 65 N 4.61 3.47 -4.77 3.21 4.77 0.10 -0.22 117.00 128.18 3m19 n LEU 65 Ca -0.16 -3.55 -0.35 0.00 -0.03 0.00 0.00 56.01 51.92 3m19 n LEU 65 Cb 0.46 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 3m19 n LEU 65 CO 0.26 1.09 0.80 -1.81 -1.33 0.00 0.00 177.39 176.40 3m19 s ASP 66 N -2.64 5.61 -1.17 -1.43 1.01 -1.20 -3.83 116.67 113.03 3m19 s ASP 66 Ca 0.41 2.24 -0.03 0.00 0.71 0.00 0.00 52.55 55.88 3m19 s ASP 66 Cb 0.36 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.71 3m19 s ASP 66 CO 0.01 -1.29 0.37 -1.22 0.21 0.00 0.00 175.17 173.24 3m19 n TYR 67 N -1.32 -1.31 -2.85 4.23 4.01 -0.13 -1.72 117.16 118.06 3m19 n TYR 67 Ca 0.12 0.32 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 3m19 n TYR 67 Cb 0.50 -3.50 0.00 0.00 -0.31 0.00 0.00 39.34 36.04 3m19 n TYR 67 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3m19 n ASN 68 N -1.28 0.90 -1.89 7.72 5.03 -1.22 -3.51 115.26 121.02 3m19 n ASN 68 Ca -0.10 -0.40 -0.21 0.00 0.87 0.00 0.00 54.58 54.73 3m19 n ASN 68 Cb 0.60 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.40 3m19 n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3m19 n GLN 69 N -0.22 3.36 -1.96 3.52 10.64 0.23 -4.31 117.38 128.63 3m19 n GLN 69 Ca 0.00 -4.03 -0.42 0.00 -1.83 0.00 0.00 57.00 50.72 3m19 n GLN 69 Cb 0.00 -2.21 -0.03 0.00 -0.86 0.00 0.00 30.24 27.14 3m19 n GLN 69 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3m19 s LEU 70 N -3.57 4.37 -0.13 2.61 1.43 -1.18 -4.55 118.68 117.65 3m19 s LEU 70 Ca 0.50 2.54 0.07 0.00 -1.03 0.00 0.00 54.13 56.21 3m19 s LEU 70 Cb 0.41 -3.58 -0.13 0.00 0.03 0.00 0.00 46.19 42.92 3m19 s LEU 70 CO 0.03 -0.82 -0.03 0.00 0.23 0.00 0.00 176.35 175.76 3m19 n GLN 71 N 4.38 1.36 -4.07 1.70 6.02 -1.21 -0.51 117.38 125.06 3m19 n GLN 71 Ca 0.14 0.03 -0.08 0.00 -0.01 0.00 0.00 57.00 57.08 3m19 n GLN 71 Cb 0.39 -1.31 -0.10 0.00 1.02 0.00 0.00 30.24 30.24 3m19 n GLN 71 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3m19 s THR 72 N -2.30 0.27 0.13 5.09 2.01 -1.26 -2.05 115.64 117.53 3m19 s THR 72 Ca -0.12 -1.53 0.10 0.00 0.31 0.00 0.00 61.69 60.45 3m19 s THR 72 Cb 0.04 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 3m19 s THR 72 CO 0.44 -0.80 -0.20 -0.76 -0.69 0.00 0.00 174.62 172.61 3m19 s LEU 73 N -2.44 2.63 0.66 4.42 1.43 -1.26 -4.42 118.68 119.69 3m19 s LEU 73 Ca 0.00 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 3m19 s LEU 73 Cb 0.01 -1.46 -0.00 0.00 0.03 0.00 0.00 46.19 44.77 3m19 s LEU 73 CO -0.06 0.17 1.08 -0.94 0.23 0.00 0.00 176.35 176.82 3m19 s SER 74 N -2.21 5.35 0.40 2.29 1.04 -1.24 -4.71 113.70 114.61 3m19 s SER 74 Ca 0.18 1.82 0.11 0.00 0.48 0.00 0.00 55.95 58.54 3m19 s SER 74 Cb -0.10 -2.53 0.82 0.00 0.10 0.00 0.00 66.02 64.31 3m19 s SER 74 CO 0.10 -1.46 1.91 0.00 0.98 0.00 0.00 173.24 174.77 3m19 h ALA 75 N -0.12 1.52 -0.56 5.32 0.00 -1.95 -2.85 119.26 120.62 3m19 h ALA 75 Ca -0.46 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3m19 h ALA 75 Cb 1.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3m19 h ALA 75 CO 0.56 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.56 3m19 n GLY 76 N -0.83 3.02 0.32 0.00 0.00 -1.26 -4.33 105.19 102.11 3m19 n GLY 76 Ca -0.01 -0.88 0.04 0.00 0.00 0.00 0.00 46.02 45.16 3m19 n GLY 76 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3m19 h VAL 77 N 3.66 1.11 -0.48 1.61 3.04 -1.75 -2.41 116.25 121.03 3m19 h VAL 77 Ca 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.45 3m19 h VAL 77 Cb 1.61 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 3m19 h VAL 77 CO 0.31 0.13 0.00 0.49 -1.01 0.00 0.00 177.57 177.49 3m19 n PHE 78 N -4.46 0.63 0.25 3.17 3.72 -1.26 -4.53 117.46 114.98 3m19 n PHE 78 Ca 0.05 -0.38 0.09 0.00 -0.05 0.00 0.00 57.45 57.16 3m19 n PHE 78 Cb 0.07 -0.01 0.63 0.00 -0.94 0.00 0.00 39.48 39.24 3m19 n PHE 78 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3m19 h ASP 79 N 3.70 0.00 0.86 4.37 3.32 -1.73 -0.76 116.42 126.18 3m19 h ASP 79 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3m19 h ASP 79 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3m19 h ASP 79 CO 0.00 0.11 0.00 0.47 -1.72 0.00 0.00 179.24 178.10 3m19 n ASP 80 N -4.16 0.00 -3.32 6.45 9.92 -1.26 -4.44 116.55 119.73 3m19 n ASP 80 Ca -0.03 0.34 -0.39 0.00 -0.53 0.00 0.00 54.79 54.19 3m19 n ASP 80 Cb 0.19 -0.45 0.01 0.00 -0.64 0.00 0.00 41.12 40.23 3m19 n ASP 80 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3m19 n LEU 81 N -1.45 7.48 0.28 0.64 4.77 -0.29 -4.34 117.00 124.09 3m19 n LEU 81 Ca 0.09 -4.98 0.18 0.00 -0.03 0.00 0.00 56.01 51.26 3m19 n LEU 81 Cb 0.30 -1.21 0.73 0.00 -2.33 0.00 0.00 43.42 40.91 3m19 n LEU 81 CO 0.25 1.96 1.01 0.71 -1.33 0.00 0.00 177.39 179.99 3m19 h THR 82 N 2.25 0.00 -0.10 -5.08 1.35 -1.79 -2.28 112.91 107.26 3m19 h THR 82 Ca 0.57 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 3m19 h THR 82 Cb 0.31 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3m19 h THR 82 CO 1.27 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 175.92 3m19 n GLU 83 N -3.07 1.78 -1.85 4.72 -0.58 -1.26 -4.24 120.64 116.14 3m19 n GLU 83 Ca 0.00 -1.15 -0.42 0.00 -0.42 0.00 0.00 57.16 55.17 3m19 n GLU 83 Cb 0.28 -1.44 -0.02 0.00 -0.57 0.00 0.00 31.44 29.68 3m19 n GLU 83 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3m19 s LEU 84 N -1.78 4.36 -0.16 -4.62 2.96 -0.86 -4.46 118.68 114.11 3m19 s LEU 84 Ca 0.35 2.79 0.07 0.00 -0.22 0.00 0.00 54.13 57.12 3m19 s LEU 84 Cb 0.19 -3.61 -0.15 0.00 0.50 0.00 0.00 46.19 43.12 3m19 s LEU 84 CO 0.30 -0.86 -0.06 0.61 -1.32 0.00 0.00 176.35 175.02 3m19 n GLY 85 N 3.00 -0.49 3.08 7.98 0.00 0.28 -2.46 105.19 116.58 3m19 n GLY 85 Ca 0.11 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 3m19 n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m19 s THR 86 N -2.36 1.44 -0.17 2.61 2.01 -0.98 -0.08 115.64 118.10 3m19 s THR 86 Ca -0.16 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.19 3m19 s THR 86 Cb 0.05 -1.29 0.03 0.00 0.01 0.00 0.00 72.50 71.31 3m19 s THR 86 CO 0.51 0.42 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.54 3m19 s LEU 87 N 0.61 1.90 -0.29 4.42 2.96 -0.38 -1.50 118.68 126.41 3m19 s LEU 87 Ca -0.15 -0.68 -0.09 0.00 -0.22 0.00 0.00 54.13 52.99 3m19 s LEU 87 Cb -0.16 -1.14 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 3m19 s LEU 87 CO 0.05 -0.12 0.14 -0.83 -1.32 0.00 0.00 176.35 174.27 3m19 s GLY 88 N 1.48 1.86 -0.06 7.98 0.00 -0.34 -1.54 107.32 116.69 3m19 s GLY 88 Ca 0.02 -1.28 0.09 0.00 0.00 0.00 0.00 44.72 43.54 3m19 s GLY 88 CO -0.09 0.65 1.04 1.04 0.00 0.00 0.00 173.10 175.74 3m19 n LEU 89 N 4.99 1.25 -4.79 0.66 4.77 0.17 0.01 117.00 124.06 3m19 n LEU 89 Ca -0.14 -1.98 -0.36 0.00 -0.03 0.00 0.00 56.01 53.50 3m19 n LEU 89 Cb 0.50 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 3m19 n LEU 89 CO 0.33 0.47 0.74 0.00 -1.33 0.00 0.00 177.39 177.60 3m19 s ALA 90 N -1.42 2.97 -1.31 -1.18 0.00 -1.06 -4.00 121.76 115.76 3m19 s ALA 90 Ca 0.15 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.76 3m19 s ALA 90 Cb 0.13 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.98 3m19 s ALA 90 CO 0.01 -0.34 1.07 0.09 0.00 0.00 0.00 175.76 176.59 3m19 n ASN 91 N -0.53 -4.25 -0.11 0.00 4.13 0.54 -0.96 115.26 114.08 3m19 n ASN 91 Ca 0.07 -0.61 0.00 0.00 1.68 0.00 0.00 54.58 55.72 3m19 n ASN 91 Cb 0.51 -4.92 0.00 0.00 -1.54 0.00 0.00 39.78 33.83 3m19 n ASN 91 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3m19 n ASN 92 N -3.05 0.84 -1.68 6.41 3.02 -1.22 -2.95 115.26 116.64 3m19 n ASN 92 Ca -0.12 -0.06 -0.17 0.00 -0.03 0.00 0.00 54.58 54.20 3m19 n ASN 92 Cb 0.61 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.85 3m19 n ASN 92 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m19 n GLN 93 N -0.03 3.00 -2.13 3.52 6.02 0.33 -4.42 117.38 123.67 3m19 n GLN 93 Ca 0.00 -3.86 -0.42 0.00 -0.01 0.00 0.00 57.00 52.70 3m19 n GLN 93 Cb 0.00 -2.11 -0.03 0.00 1.02 0.00 0.00 30.24 29.13 3m19 n GLN 93 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3m19 s LEU 94 N -3.51 4.29 0.00 1.08 1.43 -0.91 -4.32 118.68 116.74 3m19 s LEU 94 Ca 0.49 2.10 0.23 0.00 -1.03 0.00 0.00 54.13 55.92 3m19 s LEU 94 Cb 0.41 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 43.21 3m19 s LEU 94 CO 0.01 -0.86 1.15 0.00 0.23 0.00 0.00 176.35 176.87 3m19 n ALA 95 N 6.76 4.06 -3.62 4.21 0.00 -0.87 -0.26 120.51 130.79 3m19 n ALA 95 Ca 0.16 -0.51 -0.04 0.00 0.00 0.00 0.00 53.44 53.05 3m19 n ALA 95 Cb 0.43 -0.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 3m19 n ALA 95 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3m19 s SER 96 N -2.87 -0.18 -0.04 0.00 1.04 -1.26 -4.15 113.70 106.24 3m19 s SER 96 Ca 0.12 -0.14 0.04 0.00 0.48 0.00 0.00 55.95 56.45 3m19 s SER 96 Cb 0.17 0.30 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 3m19 s SER 96 CO 0.74 -0.52 -0.15 -0.76 0.98 0.00 0.00 173.24 173.53 3m19 s LEU 97 N -2.66 1.89 0.51 2.42 1.43 -1.26 -4.72 118.68 116.28 3m19 s LEU 97 Ca 0.10 -0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 52.69 3m19 s LEU 97 Cb 0.00 -0.85 -0.06 0.00 0.03 0.00 0.00 46.19 45.31 3m19 s LEU 97 CO -0.04 0.13 1.17 -2.84 0.23 0.00 0.00 176.35 175.01 3m19 s PRO 98 N 0.05 3.48 0.21 1.29 0.02 -1.26 -4.71 135.00 134.08 3m19 s PRO 98 Ca -0.03 1.77 -0.32 0.00 0.02 0.00 0.00 61.00 62.44 3m19 s PRO 98 Cb -0.10 -2.21 -0.12 0.00 0.02 0.00 0.00 34.50 32.09 3m19 s PRO 98 CO 0.02 -0.78 1.69 1.28 -0.33 0.00 0.00 177.00 178.88 3m19 n LEU 99 N -0.92 3.91 0.00 -5.54 4.32 -1.26 -1.82 117.00 115.69 3m19 n LEU 99 Ca 0.10 1.07 0.00 0.00 -0.02 0.00 0.00 56.01 57.16 3m19 n LEU 99 Cb 0.49 -1.56 0.00 0.00 -1.62 0.00 0.00 43.42 40.73 3m19 n LEU 99 CO 0.46 0.12 0.00 0.61 -1.22 0.00 0.00 177.39 177.35 3m19 n GLY 100 N 3.71 0.76 0.41 -0.72 0.00 -1.26 -4.94 105.19 103.16 3m19 n GLY 100 Ca 0.15 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.39 3m19 n GLY 100 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3m19 h VAL 101 N 0.00 0.67 -0.34 1.61 3.04 -1.55 -1.24 116.25 118.44 3m19 h VAL 101 Ca 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 3m19 h VAL 101 Cb 0.03 0.46 0.00 0.00 -2.01 0.00 0.00 31.29 29.77 3m19 h VAL 101 CO 0.00 0.04 0.00 0.49 -1.01 0.00 0.00 177.57 177.09 3m19 n PHE 102 N -4.40 0.45 -0.08 3.17 3.72 -1.26 -4.51 117.46 114.55 3m19 n PHE 102 Ca 0.16 -0.38 0.08 0.00 -0.05 0.00 0.00 57.45 57.26 3m19 n PHE 102 Cb 0.73 -0.02 0.44 0.00 -0.94 0.00 0.00 39.48 39.69 3m19 n PHE 102 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3m19 h ASP 103 N 2.67 0.48 0.74 4.37 3.32 -1.49 -0.96 116.42 125.55 3m19 h ASP 103 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3m19 h ASP 103 Cb 0.75 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3m19 h ASP 103 CO 0.00 0.31 0.00 1.41 -1.72 0.00 0.00 179.24 179.24 3m19 n HIS 104 N -4.47 0.00 -1.80 4.55 8.25 -1.26 -4.40 115.22 116.08 3m19 n HIS 104 Ca 0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.20 3m19 n HIS 104 Cb 0.22 -0.41 -0.02 0.00 1.12 0.00 0.00 29.99 30.90 3m19 n HIS 104 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3m19 n LEU 105 N -1.41 7.19 0.15 2.41 4.77 -0.37 -4.51 117.00 125.24 3m19 n LEU 105 Ca 0.09 -4.54 0.13 0.00 -0.03 0.00 0.00 56.01 51.66 3m19 n LEU 105 Cb 0.27 -1.26 0.50 0.00 -2.33 0.00 0.00 43.42 40.61 3m19 n LEU 105 CO 0.23 1.88 0.88 0.71 -1.33 0.00 0.00 177.39 179.76 3m19 h THR 106 N 2.22 0.00 -0.22 -5.08 1.35 -1.77 -1.61 112.91 107.81 3m19 h THR 106 Ca 0.53 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 3m19 h THR 106 Cb 0.48 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3m19 h THR 106 CO 1.16 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.43 3m19 n GLN 107 N -2.40 1.92 -1.93 4.72 1.13 -1.26 -4.32 117.38 115.24 3m19 n GLN 107 Ca 0.02 -1.38 -0.42 0.00 -1.94 0.00 0.00 57.00 53.29 3m19 n GLN 107 Cb 0.28 -1.42 -0.03 0.00 0.11 0.00 0.00 30.24 29.18 3m19 n GLN 107 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3m19 s LEU 108 N -1.55 4.37 -0.15 1.08 2.96 -0.61 -4.37 118.68 120.41 3m19 s LEU 108 Ca 0.33 2.69 0.06 0.00 -0.22 0.00 0.00 54.13 56.99 3m19 s LEU 108 Cb 0.19 -3.61 -0.14 0.00 0.50 0.00 0.00 46.19 43.13 3m19 s LEU 108 CO 0.27 -0.81 -0.05 0.47 -1.32 0.00 0.00 176.35 174.92 3m19 n ASP 109 N 3.25 2.24 -3.93 3.68 8.00 0.88 -2.59 116.55 128.08 3m19 n ASP 109 Ca 0.11 -0.05 -0.21 0.00 0.71 0.00 0.00 54.79 55.35 3m19 n ASP 109 Cb 0.39 0.28 -0.16 0.00 -0.02 0.00 0.00 41.12 41.60 3m19 n ASP 109 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3m19 s LYS 110 N -2.33 1.07 -0.18 -1.24 1.02 -0.46 0.27 119.74 117.90 3m19 s LYS 110 Ca -0.15 -0.19 -0.01 0.00 0.02 0.00 0.00 55.97 55.64 3m19 s LYS 110 Cb 0.05 -0.99 0.05 0.00 -0.52 0.00 0.00 37.83 36.42 3m19 s LYS 110 CO 0.46 -0.04 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.66 3m19 s LEU 111 N 0.82 1.53 -0.37 3.17 2.96 -0.54 -1.25 118.68 125.00 3m19 s LEU 111 Ca -0.13 -0.73 -0.12 0.00 -0.22 0.00 0.00 54.13 52.94 3m19 s LEU 111 Cb -0.15 -0.81 0.01 0.00 0.50 0.00 0.00 46.19 45.74 3m19 s LEU 111 CO 0.01 -0.23 0.22 -0.31 -1.32 0.00 0.00 176.35 174.73 3m19 s TYR 112 N 1.70 3.23 -0.03 5.38 2.02 -0.59 -1.75 117.35 127.30 3m19 s TYR 112 Ca -0.00 -0.70 0.04 0.00 -0.37 0.00 0.00 57.07 56.03 3m19 s TYR 112 Cb -0.16 -2.46 0.06 0.00 -0.40 0.00 0.00 41.96 39.00 3m19 s TYR 112 CO -0.07 -0.56 0.92 1.28 -1.57 0.00 0.00 175.55 175.55 3m19 n LEU 113 N 5.04 1.40 -4.75 -1.29 4.77 0.09 -0.66 117.00 121.60 3m19 n LEU 113 Ca -0.12 -1.67 -0.35 0.00 -0.03 0.00 0.00 56.01 53.84 3m19 n LEU 113 Cb 0.47 -0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.52 3m19 n LEU 113 CO 0.37 0.40 0.79 -0.83 -1.33 0.00 0.00 177.39 176.80 3m19 s GLY 114 N -1.18 2.46 -0.62 -0.72 0.00 -1.08 -3.92 107.32 102.25 3m19 s GLY 114 Ca 0.07 0.82 -0.01 0.00 0.00 0.00 0.00 44.72 45.60 3m19 s GLY 114 CO 0.01 1.20 0.09 0.61 0.00 0.00 0.00 173.10 175.00 3m19 n GLY 115 N 0.14 0.13 0.00 0.20 0.00 -0.54 -0.34 105.19 104.78 3m19 n GLY 115 Ca 0.12 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3m19 n GLY 115 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m19 n ASN 116 N 0.41 0.94 -0.82 1.61 3.02 -0.99 -3.30 115.26 116.14 3m19 n ASN 116 Ca -0.07 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.52 3m19 n ASN 116 Cb 0.56 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.90 3m19 n ASN 116 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m19 n GLN 117 N 0.00 1.49 -2.14 3.52 6.02 0.64 -4.26 117.38 122.65 3m19 n GLN 117 Ca 0.00 -3.19 -0.42 0.00 -0.01 0.00 0.00 57.00 53.38 3m19 n GLN 117 Cb 0.00 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 29.79 3m19 n GLN 117 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3m19 s LEU 118 N -2.84 4.33 -0.08 1.08 1.43 -1.06 -4.45 118.68 117.09 3m19 s LEU 118 Ca 0.38 2.22 0.16 0.00 -1.03 0.00 0.00 54.13 55.86 3m19 s LEU 118 Cb 0.37 -3.56 -0.23 0.00 0.03 0.00 0.00 46.19 42.80 3m19 s LEU 118 CO -0.08 -0.76 0.47 0.29 0.23 0.00 0.00 176.35 176.50 3m19 n LYS 119 N 5.31 0.65 -4.05 1.70 5.02 -1.26 -0.69 118.16 124.85 3m19 n LYS 119 Ca 0.14 0.15 -0.11 0.00 -2.02 0.00 0.00 58.31 56.46 3m19 n LYS 119 Cb 0.43 -1.68 -0.05 0.00 -0.02 0.00 0.00 35.03 33.70 3m19 n LYS 119 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3m19 s SER 120 N -5.73 0.22 -0.04 4.39 1.04 -1.26 -1.62 113.70 110.71 3m19 s SER 120 Ca -0.06 -1.16 0.05 0.00 0.48 0.00 0.00 55.95 55.26 3m19 s SER 120 Cb 0.08 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.78 3m19 s SER 120 CO 0.83 -1.16 -0.18 -0.76 0.98 0.00 0.00 173.24 172.95 3m19 s LEU 121 N -3.10 1.95 0.53 2.42 1.43 -1.26 -4.76 118.68 115.90 3m19 s LEU 121 Ca 0.27 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.78 3m19 s LEU 121 Cb 0.00 -1.00 -0.05 0.00 0.03 0.00 0.00 46.19 45.17 3m19 s LEU 121 CO 0.13 0.18 1.34 -2.65 0.23 0.00 0.00 176.35 175.57 3m19 n PRO 122 N 3.02 1.71 -1.88 1.29 -0.02 -1.26 -4.70 135.00 133.16 3m19 n PRO 122 Ca -0.17 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.52 3m19 n PRO 122 Cb 0.53 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3m19 n PRO 122 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3m19 s SER 123 N -0.87 6.50 -0.08 2.55 0.15 -1.26 -2.28 113.70 118.41 3m19 s SER 123 Ca 0.70 2.79 0.00 0.00 0.70 0.00 0.00 55.95 60.14 3m19 s SER 123 Cb -0.43 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.27 3m19 s SER 123 CO 0.50 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.71 3m19 n GLY 124 N 2.71 0.38 0.37 9.45 0.00 -1.26 -4.91 105.19 111.93 3m19 n GLY 124 Ca 0.10 -0.06 0.19 0.00 0.00 0.00 0.00 46.02 46.24 3m19 n GLY 124 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3m19 h VAL 125 N 0.00 0.70 -0.29 1.61 3.04 -1.79 -1.47 116.25 118.05 3m19 h VAL 125 Ca -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 3m19 h VAL 125 Cb 0.39 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 30.43 3m19 h VAL 125 CO 0.02 0.00 0.00 0.49 -1.01 0.00 0.00 177.57 177.07 3m19 n PHE 126 N -4.27 0.37 0.27 3.17 3.72 -1.26 -4.53 117.46 114.93 3m19 n PHE 126 Ca 0.08 -0.30 0.13 0.00 -0.05 0.00 0.00 57.45 57.31 3m19 n PHE 126 Cb 0.53 -0.01 0.77 0.00 -0.94 0.00 0.00 39.48 39.83 3m19 n PHE 126 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3m19 h ASP 127 N 2.82 0.00 0.33 4.37 5.19 -1.55 -1.05 116.42 126.53 3m19 h ASP 127 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3m19 h ASP 127 Cb 0.74 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.25 3m19 h ASP 127 CO 0.00 0.09 -0.30 0.54 -3.12 0.00 0.00 179.24 176.45 3m19 n ARG 128 N -3.75 0.59 -1.70 3.56 5.12 -1.26 -4.59 116.66 114.64 3m19 n ARG 128 Ca -0.02 -0.33 -0.34 0.00 -1.93 0.00 0.00 57.85 55.23 3m19 n ARG 128 Cb 0.19 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 29.96 3m19 n ARG 128 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3m19 n LEU 129 N -0.92 7.39 0.26 0.55 4.77 -0.40 -4.52 117.00 124.14 3m19 n LEU 129 Ca 0.11 -4.46 0.17 0.00 -0.03 0.00 0.00 56.01 51.80 3m19 n LEU 129 Cb 0.34 -1.34 0.65 0.00 -2.33 0.00 0.00 43.42 40.74 3m19 n LEU 129 CO 0.28 1.93 0.97 0.71 -1.33 0.00 0.00 177.39 179.95 3m19 h THR 130 N 2.39 0.00 -0.00 -5.08 1.35 -1.78 -1.96 112.91 107.83 3m19 h THR 130 Ca 0.58 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 3m19 h THR 130 Cb 0.52 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3m19 h THR 130 CO 1.22 0.00 -0.10 0.29 -0.25 0.00 0.00 175.52 176.68 3m19 n LYS 131 N -2.99 0.75 -1.93 4.72 5.02 -1.26 -4.09 118.16 118.38 3m19 n LYS 131 Ca 0.01 -0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 55.63 3m19 n LYS 131 Cb 0.30 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.79 3m19 n LYS 131 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3m19 s LEU 132 N -2.43 4.37 -0.09 -0.35 2.96 -0.74 -4.53 118.68 117.88 3m19 s LEU 132 Ca 0.30 2.73 0.09 0.00 -0.22 0.00 0.00 54.13 57.03 3m19 s LEU 132 Cb 0.20 -3.62 -0.12 0.00 0.50 0.00 0.00 46.19 43.15 3m19 s LEU 132 CO 0.46 -0.79 0.05 0.29 -1.32 0.00 0.00 176.35 175.05 3m19 n LYS 133 N 2.73 2.21 -4.46 1.98 5.02 0.14 -2.31 118.16 123.48 3m19 n LYS 133 Ca 0.09 -0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.13 3m19 n LYS 133 Cb 0.39 -1.25 -0.17 0.00 -0.02 0.00 0.00 35.03 33.99 3m19 n LYS 133 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3m19 s GLU 134 N -2.28 1.47 -0.17 1.97 2.02 -0.61 -0.56 118.70 120.55 3m19 s GLU 134 Ca -0.05 -0.33 -0.02 0.00 0.02 0.00 0.00 54.97 54.60 3m19 s GLU 134 Cb 0.03 -1.27 0.05 0.00 0.10 0.00 0.00 34.13 33.04 3m19 s GLU 134 CO 0.40 -0.01 0.00 -1.17 0.02 0.00 0.00 175.26 174.50 3m19 s LEU 135 N 0.76 1.28 -0.25 1.80 2.96 -0.24 -1.46 118.68 123.53 3m19 s LEU 135 Ca -0.13 -0.67 -0.06 0.00 -0.22 0.00 0.00 54.13 53.05 3m19 s LEU 135 Cb -0.15 -0.69 -0.02 0.00 0.50 0.00 0.00 46.19 45.83 3m19 s LEU 135 CO 0.02 -0.25 0.05 -0.13 -1.32 0.00 0.00 176.35 174.72 3m19 s ARG 136 N 1.79 3.51 -0.03 1.98 1.81 -0.72 -1.37 118.95 125.92 3m19 s ARG 136 Ca 0.00 -0.57 0.05 0.00 -1.72 0.00 0.00 55.73 53.49 3m19 s ARG 136 Cb -0.16 -3.26 0.07 0.00 -0.45 0.00 0.00 34.95 31.15 3m19 s ARG 136 CO -0.07 -0.23 0.93 1.28 -0.68 0.00 0.00 175.30 176.52 3m19 n LEU 137 N 4.89 1.37 -4.76 2.53 4.77 0.10 -0.73 117.00 125.16 3m19 n LEU 137 Ca -0.16 -1.69 -0.32 0.00 -0.03 0.00 0.00 56.01 53.81 3m19 n LEU 137 Cb 0.51 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.57 3m19 n LEU 137 CO 0.31 0.41 0.72 0.54 -1.33 0.00 0.00 177.39 178.04 3m19 s ASN 138 N -1.24 4.65 -1.15 -1.43 4.22 -1.03 -4.11 114.94 114.85 3m19 s ASN 138 Ca 0.08 1.96 -0.04 0.00 -2.14 0.00 0.00 52.86 52.72 3m19 s ASN 138 Cb 0.07 -2.54 -0.03 0.00 1.28 0.00 0.00 41.25 40.03 3m19 s ASN 138 CO 0.01 -1.94 0.90 0.41 -2.04 0.00 0.00 177.10 174.44 3m19 n THR 139 N -3.01 -7.03 -2.75 0.54 -1.04 0.19 -1.65 114.28 99.53 3m19 n THR 139 Ca 0.10 -0.88 0.00 0.00 -2.04 0.00 0.00 64.05 61.23 3m19 n THR 139 Cb 0.52 -5.37 0.00 0.00 -1.82 0.00 0.00 70.33 63.67 3m19 n THR 139 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3m19 n ASN 140 N -3.12 0.89 -1.77 8.00 3.02 -0.93 -1.47 115.26 119.89 3m19 n ASN 140 Ca -0.19 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.30 3m19 n ASN 140 Cb 0.64 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.89 3m19 n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m19 n GLN 141 N 0.00 2.03 -1.74 3.52 6.02 0.14 -4.26 117.38 123.09 3m19 n GLN 141 Ca 0.00 -3.42 -0.42 0.00 -0.01 0.00 0.00 57.00 53.15 3m19 n GLN 141 Cb 0.00 -1.56 -0.03 0.00 1.02 0.00 0.00 30.24 29.67 3m19 n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3m19 s LEU 142 N -2.93 4.40 0.11 1.08 1.43 -0.76 -4.33 118.68 117.69 3m19 s LEU 142 Ca 0.39 2.69 0.23 0.00 -1.03 0.00 0.00 54.13 56.41 3m19 s LEU 142 Cb 0.38 -3.56 0.15 0.00 0.03 0.00 0.00 46.19 43.19 3m19 s LEU 142 CO -0.04 -1.00 1.14 0.00 0.23 0.00 0.00 176.35 176.67 3m19 n GLN 143 N 6.18 0.38 -3.66 1.70 6.02 -0.64 -0.31 117.38 127.05 3m19 n GLN 143 Ca 0.18 0.06 0.01 0.00 -0.01 0.00 0.00 57.00 57.24 3m19 n GLN 143 Cb 0.39 -1.69 -0.00 0.00 1.02 0.00 0.00 30.24 29.96 3m19 n GLN 143 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3m19 s SER 144 N -4.41 -0.06 -0.08 1.08 1.04 -1.26 -4.30 113.70 105.72 3m19 s SER 144 Ca 0.03 -0.16 0.05 0.00 0.48 0.00 0.00 55.95 56.35 3m19 s SER 144 Cb 0.13 0.18 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 3m19 s SER 144 CO 0.77 -0.33 -0.23 -0.63 0.98 0.00 0.00 173.24 173.80 3m19 s ILE 145 N -2.42 2.21 0.41 -1.02 1.01 -1.26 -4.59 121.20 115.54 3m19 s ILE 145 Ca 0.15 -0.99 -0.26 0.00 0.00 0.00 0.00 60.65 59.55 3m19 s ILE 145 Cb 0.04 -1.83 -0.09 0.00 0.01 0.00 0.00 42.46 40.59 3m19 s ILE 145 CO -0.03 0.56 1.40 -2.84 0.00 0.00 0.00 174.94 174.03 3m19 s PRO 146 N 0.05 3.90 0.19 2.79 0.02 -1.26 -4.45 135.00 136.25 3m19 s PRO 146 Ca -0.10 2.37 -0.33 0.00 0.02 0.00 0.00 61.00 62.97 3m19 s PRO 146 Cb -0.15 -2.78 -0.15 0.00 0.02 0.00 0.00 34.50 31.44 3m19 s PRO 146 CO 0.06 -0.63 1.33 0.00 -0.33 0.00 0.00 177.00 177.43 3m19 n ALA 147 N 0.11 0.24 -0.99 -1.55 0.00 -1.26 -1.95 120.51 115.10 3m19 n ALA 147 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3m19 n ALA 147 Cb 0.42 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3m19 n ALA 147 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m19 n GLY 148 N 2.27 0.75 0.39 0.00 0.00 -1.26 -4.91 105.19 102.43 3m19 n GLY 148 Ca 0.14 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.36 3m19 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m19 h ALA 149 N 0.00 2.45 -0.14 4.61 0.00 -1.73 -1.98 119.26 122.47 3m19 h ALA 149 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3m19 h ALA 149 Cb 0.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3m19 h ALA 149 CO 0.00 -0.62 0.00 1.19 0.00 0.00 0.00 179.25 179.82 3m19 n PHE 150 N -4.39 0.18 0.22 0.00 3.72 -1.26 -4.55 117.46 111.38 3m19 n PHE 150 Ca 0.12 -0.23 0.10 0.00 -0.05 0.00 0.00 57.45 57.38 3m19 n PHE 150 Cb 0.63 -0.01 0.65 0.00 -0.94 0.00 0.00 39.48 39.80 3m19 n PHE 150 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3m19 h ASP 151 N 1.78 0.00 0.40 4.37 5.19 -1.62 -0.98 116.42 125.57 3m19 h ASP 151 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3m19 h ASP 151 Cb 0.53 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 3m19 h ASP 151 CO 0.00 0.00 -0.25 0.29 -3.12 0.00 0.00 179.24 176.17 3m19 n LYS 152 N -4.52 0.53 -1.73 3.56 4.76 -1.26 -4.54 118.16 114.96 3m19 n LYS 152 Ca -0.01 -0.26 -0.36 0.00 -2.87 0.00 0.00 58.31 54.81 3m19 n LYS 152 Cb 0.17 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 3m19 n LYS 152 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3m19 n LEU 153 N -1.01 7.73 0.00 -0.35 4.77 -0.37 -4.44 117.00 123.32 3m19 n LEU 153 Ca 0.11 -4.55 0.09 0.00 -0.03 0.00 0.00 56.01 51.62 3m19 n LEU 153 Cb 0.32 -1.37 0.42 0.00 -2.33 0.00 0.00 43.42 40.46 3m19 n LEU 153 CO 0.27 1.99 0.78 0.35 -1.33 0.00 0.00 177.39 179.45 3m19 n THR 154 N 1.92 0.62 0.43 -5.08 -2.24 -1.26 -1.64 114.28 107.03 3m19 n THR 154 Ca 0.62 0.15 0.09 0.00 -2.27 0.00 0.00 64.05 62.64 3m19 n THR 154 Cb 0.34 -0.85 0.13 0.00 -2.10 0.00 0.00 70.33 67.85 3m19 n THR 154 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3m19 n ASN 155 N -1.40 2.84 -4.71 3.42 4.13 -1.26 -4.07 115.26 114.21 3m19 n ASN 155 Ca 0.06 -1.84 -0.42 0.00 1.68 0.00 0.00 54.58 54.07 3m19 n ASN 155 Cb 0.18 -0.12 -0.03 0.00 -1.54 0.00 0.00 39.78 38.27 3m19 n ASN 155 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3m19 s LEU 156 N -1.36 4.37 -0.23 3.41 2.96 -0.65 -4.41 118.68 122.77 3m19 s LEU 156 Ca 0.27 2.48 0.06 0.00 -0.22 0.00 0.00 54.13 56.71 3m19 s LEU 156 Cb 0.17 -3.59 -0.18 0.00 0.50 0.00 0.00 46.19 43.09 3m19 s LEU 156 CO 0.24 -0.76 -0.14 0.00 -1.32 0.00 0.00 176.35 174.37 3m19 n GLN 157 N 4.11 0.69 -4.47 1.98 6.02 0.28 -2.11 117.38 123.87 3m19 n GLN 157 Ca 0.13 0.10 -0.24 0.00 -0.01 0.00 0.00 57.00 56.98 3m19 n GLN 157 Cb 0.40 -1.48 -0.17 0.00 1.02 0.00 0.00 30.24 30.02 3m19 n GLN 157 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3m19 s THR 158 N -2.47 1.03 -0.15 5.09 2.01 -0.60 -0.16 115.64 120.39 3m19 s THR 158 Ca -0.26 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 3m19 s THR 158 Cb 0.08 -0.96 0.04 0.00 0.01 0.00 0.00 72.50 71.67 3m19 s THR 158 CO 0.61 0.33 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.64 3m19 s LEU 159 N 0.78 1.19 -0.25 4.42 2.96 -0.41 -1.07 118.68 126.30 3m19 s LEU 159 Ca -0.13 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.14 3m19 s LEU 159 Cb -0.15 -0.68 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 3m19 s LEU 159 CO 0.02 -0.23 0.10 -0.55 -1.32 0.00 0.00 176.35 174.38 3m19 s SER 160 N 1.80 5.41 -0.00 3.68 0.15 -0.47 -1.75 113.70 122.51 3m19 s SER 160 Ca 0.01 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.53 3m19 s SER 160 Cb -0.15 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 3m19 s SER 160 CO -0.07 -0.03 0.81 0.18 1.20 0.00 0.00 173.24 175.34 3m19 n LEU 161 N 4.88 1.24 -4.73 3.45 4.77 0.10 -0.72 117.00 125.98 3m19 n LEU 161 Ca -0.16 -1.25 -0.32 0.00 -0.03 0.00 0.00 56.01 54.26 3m19 n LEU 161 Cb 0.52 -0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.71 3m19 n LEU 161 CO 0.32 0.31 0.71 -0.94 -1.33 0.00 0.00 177.39 176.46 3m19 s SER 162 N -0.64 4.04 -1.11 -1.43 1.04 -0.91 -4.21 113.70 110.48 3m19 s SER 162 Ca 0.00 2.02 -0.14 0.00 0.48 0.00 0.00 55.95 58.31 3m19 s SER 162 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 3m19 s SER 162 CO 0.00 -2.35 0.84 0.41 0.98 0.00 0.00 173.24 173.12 3m19 n THR 163 N -3.54 -7.18 -3.62 2.02 -1.04 0.05 -0.64 114.28 100.33 3m19 n THR 163 Ca 0.11 -1.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.00 3m19 n THR 163 Cb 0.52 -5.22 0.00 0.00 -1.82 0.00 0.00 70.33 63.81 3m19 n THR 163 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3m19 n ASN 164 N -2.91 0.95 -1.30 8.00 4.13 -1.19 -2.00 115.26 120.94 3m19 n ASN 164 Ca -0.09 -0.62 -0.09 0.00 1.68 0.00 0.00 54.58 55.46 3m19 n ASN 164 Cb 0.61 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 38.98 3m19 n ASN 164 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3m19 n GLN 165 N 0.00 2.36 -2.50 3.52 1.13 0.57 -4.39 117.38 118.07 3m19 n GLN 165 Ca 0.00 -3.56 -0.41 0.00 -1.94 0.00 0.00 57.00 51.10 3m19 n GLN 165 Cb 0.00 -1.92 -0.04 0.00 0.11 0.00 0.00 30.24 28.39 3m19 n GLN 165 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3m19 s LEU 166 N -3.39 4.53 -0.00 1.08 1.43 -0.95 -4.36 118.68 117.02 3m19 s LEU 166 Ca 0.45 2.17 0.10 0.00 -1.03 0.00 0.00 54.13 55.82 3m19 s LEU 166 Cb 0.40 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.90 3m19 s LEU 166 CO -0.02 -0.17 0.41 0.00 0.23 0.00 0.00 176.35 176.81 3m19 n GLN 167 N 1.79 3.82 -3.72 1.70 6.02 -1.26 -0.91 117.38 124.81 3m19 n GLN 167 Ca 0.01 -0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.98 3m19 n GLN 167 Cb 0.45 -0.95 -0.01 0.00 1.02 0.00 0.00 30.24 30.75 3m19 n GLN 167 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3m19 s SER 168 N -1.91 -0.13 0.05 1.08 1.04 -1.26 -0.53 113.70 112.04 3m19 s SER 168 Ca 0.04 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.19 3m19 s SER 168 Cb 0.07 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 3m19 s SER 168 CO 0.40 -0.72 -0.19 0.68 0.98 0.00 0.00 173.24 174.39 3m19 s VAL 169 N -2.95 1.51 0.53 5.02 -7.23 -1.26 -4.69 120.40 111.33 3m19 s VAL 169 Ca 0.14 -1.16 -0.22 0.00 -1.81 0.00 0.00 61.98 58.92 3m19 s VAL 169 Cb 0.00 -1.33 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 3m19 s VAL 169 CO 0.01 0.13 1.37 -2.84 -0.31 0.00 0.00 175.10 173.46 3m19 s PRO 170 N -1.21 3.23 0.14 4.82 0.02 -1.26 -4.87 135.00 135.87 3m19 s PRO 170 Ca 0.06 2.27 -0.35 0.00 0.02 0.00 0.00 61.00 63.00 3m19 s PRO 170 Cb -0.09 -2.32 -0.16 0.00 0.02 0.00 0.00 34.50 31.96 3m19 s PRO 170 CO 0.02 -1.13 1.32 1.58 -0.33 0.00 0.00 177.00 178.46 3m19 n HIS 171 N -0.89 1.60 -0.99 6.54 -0.00 -1.26 -1.04 115.22 119.18 3m19 n HIS 171 Ca 0.09 0.58 0.00 0.00 -0.00 0.00 0.00 57.72 58.40 3m19 n HIS 171 Cb 0.44 -2.35 0.00 0.00 -0.00 0.00 0.00 29.99 28.08 3m19 n HIS 171 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3m19 n GLY 172 N 2.44 0.57 0.39 1.57 0.00 -1.26 -4.87 105.19 104.03 3m19 n GLY 172 Ca 0.16 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.41 3m19 n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3m19 h ALA 173 N 0.00 2.12 -0.16 4.61 0.00 -1.43 -1.73 119.26 122.67 3m19 h ALA 173 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3m19 h ALA 173 Cb 0.07 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3m19 h ALA 173 CO 0.00 -0.59 0.00 1.19 0.00 0.00 0.00 179.25 179.85 3m19 n PHE 174 N -4.75 0.19 0.24 0.00 3.72 -1.26 -4.52 117.46 111.08 3m19 n PHE 174 Ca 0.27 -0.15 0.09 0.00 -0.05 0.00 0.00 57.45 57.61 3m19 n PHE 174 Cb 0.90 -0.01 0.61 0.00 -0.94 0.00 0.00 39.48 40.05 3m19 n PHE 174 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3m19 h ASP 175 N 2.86 0.00 -0.04 4.37 3.32 -1.72 -1.79 116.42 123.42 3m19 h ASP 175 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3m19 h ASP 175 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 3m19 h ASP 175 CO 0.00 0.14 0.00 0.54 -1.72 0.00 0.00 179.24 178.20 3m19 n ARG 176 N -4.06 1.85 -2.13 3.56 5.12 -1.26 -4.65 116.66 115.09 3m19 n ARG 176 Ca -0.02 -1.23 -0.41 0.00 -1.93 0.00 0.00 57.85 54.25 3m19 n ARG 176 Cb 0.23 -1.47 -0.00 0.00 -1.16 0.00 0.00 32.46 30.05 3m19 n ARG 176 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3m19 n LEU 177 N 0.49 7.33 0.29 0.55 4.77 -0.67 -4.43 117.00 125.34 3m19 n LEU 177 Ca 0.18 -4.72 0.17 0.00 -0.03 0.00 0.00 56.01 51.60 3m19 n LEU 177 Cb 0.42 -1.44 0.87 0.00 -2.33 0.00 0.00 43.42 40.94 3m19 n LEU 177 CO 0.16 1.68 1.05 1.23 -1.33 0.00 0.00 177.39 180.18 3m19 h GLY 178 N 6.95 0.00 -2.34 -0.72 0.00 -1.82 -2.58 103.07 102.55 3m19 h GLY 178 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3m19 h GLY 178 CO 1.58 0.00 0.00 0.28 0.00 0.00 0.00 176.54 178.40 3m19 n LYS 179 N -3.38 2.61 -1.71 4.80 5.02 -1.26 -4.99 118.16 119.25 3m19 n LYS 179 Ca -0.02 -2.42 -0.43 0.00 -2.02 0.00 0.00 58.31 53.42 3m19 n LYS 179 Cb 0.19 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 3m19 n LYS 179 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3m19 n LEU 180 N 1.42 3.85 -0.06 -0.35 7.94 -0.90 -4.30 117.00 124.61 3m19 n LEU 180 Ca 0.21 1.09 -0.07 0.00 -1.11 0.00 0.00 56.01 56.13 3m19 n LEU 180 Cb 0.58 -1.54 -0.06 0.00 0.53 0.00 0.00 43.42 42.93 3m19 n LEU 180 CO 0.15 0.04 -0.86 0.00 -1.11 0.00 0.00 177.39 175.61 3m19 n GLN 181 N 3.34 1.20 -4.05 1.96 6.02 0.78 -4.99 117.38 121.63 3m19 n GLN 181 Ca 0.14 0.04 -0.19 0.00 -0.01 0.00 0.00 57.00 56.98 3m19 n GLN 181 Cb 0.34 -1.24 -0.16 0.00 1.02 0.00 0.00 30.24 30.19 3m19 n GLN 181 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3m19 s THR 182 N -2.24 0.37 0.00 5.09 2.01 -0.58 -4.38 115.64 115.91 3m19 s THR 182 Ca -0.12 -0.02 0.03 0.00 0.31 0.00 0.00 61.69 61.89 3m19 s THR 182 Cb 0.04 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 72.11 3m19 s THR 182 CO 0.33 0.19 -0.10 -0.51 -0.69 0.00 0.00 174.62 173.84 3m19 s ILE 183 N 1.00 0.75 -0.11 1.82 2.07 0.65 -1.28 121.20 126.09 3m19 s ILE 183 Ca -0.10 -0.50 0.02 0.00 -1.41 0.00 0.00 60.65 58.66 3m19 s ILE 183 Cb -0.14 -0.65 -0.01 0.00 0.13 0.00 0.00 42.46 41.79 3m19 s ILE 183 CO -0.01 0.14 -0.17 0.42 -1.91 0.00 0.00 174.94 173.41 3m19 s THR 184 N -0.36 2.68 0.00 4.00 -4.23 -0.72 -1.34 115.64 115.68 3m19 s THR 184 Ca 0.02 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 3m19 s THR 184 Cb -0.04 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.71 3m19 s THR 184 CO -0.00 0.54 0.08 0.18 -0.54 0.00 0.00 174.62 174.88 3m19 n LEU 185 N 3.41 0.15 -4.71 4.79 4.77 -1.26 -0.72 117.00 123.44 3m19 n LEU 185 Ca -0.18 -0.22 -0.32 0.00 -0.03 0.00 0.00 56.01 55.26 3m19 n LEU 185 Cb 0.53 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.75 3m19 n LEU 185 CO 0.29 0.04 0.71 0.72 -1.33 0.00 0.00 177.39 177.82 3m19 s PHE 186 N -0.14 1.93 -0.32 -1.77 -0.12 -1.26 -3.91 117.98 112.39 3m19 s PHE 186 Ca 0.00 1.70 0.00 0.00 -0.05 0.00 0.00 56.93 58.58 3m19 s PHE 186 Cb 0.00 -3.31 0.00 0.00 -0.63 0.00 0.00 43.02 39.08 3m19 s PHE 186 CO 0.00 -2.54 0.00 0.41 -0.05 0.00 0.00 175.22 173.04 3m19 n GLY 187 N -0.06 0.55 0.03 1.99 0.00 -1.26 -0.77 105.19 105.68 3m19 n GLY 187 Ca 0.12 -0.90 -0.00 0.00 0.00 0.00 0.00 46.02 45.24 3m19 n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m19 n ASN 188 N 1.47 0.58 -3.16 1.61 4.13 -1.25 -3.15 115.26 115.49 3m19 n ASN 188 Ca -0.03 -1.02 -0.23 0.00 1.68 0.00 0.00 54.58 54.99 3m19 n ASN 188 Cb 0.19 -0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.38 3m19 n ASN 188 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3m19 n GLN 189 N -0.73 1.64 -1.75 3.52 3.00 -0.09 -4.92 117.38 118.05 3m19 n GLN 189 Ca 0.00 -3.86 -0.42 0.00 -0.01 0.00 0.00 57.00 52.72 3m19 n GLN 189 Cb 0.01 -1.79 -0.02 0.00 0.00 0.00 0.00 30.24 28.44 3m19 n GLN 189 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 3m19 s PHE 190 N -2.41 2.73 -0.53 1.08 0.08 -1.19 -4.21 117.98 113.53 3m19 s PHE 190 Ca 0.41 0.73 -0.18 0.00 0.12 0.00 0.00 56.93 58.01 3m19 s PHE 190 Cb 0.27 -4.10 0.09 0.00 -0.57 0.00 0.00 43.02 38.70 3m19 s PHE 190 CO -0.09 -3.74 0.59 0.34 -0.10 0.00 0.00 175.22 172.22 3m19 s ASP 191 N 0.56 6.19 0.00 1.36 -1.08 0.31 0.50 116.67 124.50 3m19 s ASP 191 Ca 0.64 -1.28 0.14 0.00 -0.52 0.00 0.00 52.55 51.54 3m19 s ASP 191 Cb -0.49 -2.26 0.56 0.00 -1.46 0.00 0.00 42.92 39.27 3m19 s ASP 191 CO 0.47 -0.92 1.41 0.00 0.52 0.00 0.00 175.17 176.65 3m19 n SER 193 N 0.12 0.88 -4.67 0.00 3.41 -1.26 -4.92 113.62 107.18 3m19 n SER 193 Ca 0.12 -0.72 -0.32 0.00 -0.26 0.00 0.00 58.87 57.70 3m19 n SER 193 Cb 0.24 0.55 -0.09 0.00 -0.26 0.00 0.00 64.21 64.65 3m19 n SER 193 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3m19 s ARG 194 N -2.91 2.66 0.52 4.33 1.70 -1.22 -5.01 118.95 119.03 3m19 s ARG 194 Ca 0.12 -0.71 0.21 0.00 -0.47 0.00 0.00 55.73 54.88 3m19 s ARG 194 Cb 0.17 -2.59 1.33 0.00 -0.57 0.00 0.00 34.95 33.29 3m19 s ARG 194 CO 0.74 0.59 2.06 0.00 -1.08 0.00 0.00 175.30 177.61 3m19 h GLU 196 N 0.01 0.00 0.00 0.00 3.07 -1.95 -1.77 114.58 113.95 3m19 h GLU 196 Ca 0.15 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 3m19 h GLU 196 Cb 0.57 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.48 3m19 h GLU 196 CO -0.00 0.00 -0.07 0.97 -1.40 0.00 0.00 179.01 178.51 3m19 h ILE 197 N 0.00 0.44 -0.21 3.13 6.09 -1.39 -3.23 117.51 122.34 3m19 h ILE 197 Ca 0.19 -0.35 -0.06 0.00 -1.37 0.00 0.00 64.86 63.28 3m19 h ILE 197 Cb 0.92 1.24 -0.01 0.00 0.47 0.00 0.00 36.82 39.43 3m19 h ILE 197 CO -0.00 0.07 -0.12 -0.07 -3.07 0.00 0.00 178.15 174.96 3m19 h LEU 198 N 0.00 0.33 -0.42 2.19 3.38 -1.53 0.34 115.31 119.60 3m19 h LEU 198 Ca -0.00 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3m19 h LEU 198 Cb 0.23 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3m19 h LEU 198 CO 0.01 0.48 0.25 0.22 0.09 0.00 0.00 178.44 179.49 3m19 h TYR 199 N 0.32 0.56 -0.15 1.13 3.20 -1.77 -1.93 116.97 118.33 3m19 h TYR 199 Ca 0.06 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3m19 h TYR 199 Cb 0.41 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 3m19 h TYR 199 CO 0.01 0.40 -0.04 1.25 -1.64 0.00 0.00 178.16 178.14 3m19 h LEU 200 N 0.55 0.30 -0.30 2.82 5.85 -1.34 -0.37 115.31 122.82 3m19 h LEU 200 Ca 0.15 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3m19 h LEU 200 Cb 0.01 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3m19 h LEU 200 CO -0.03 0.61 0.18 0.77 -0.34 0.00 0.00 178.44 179.63 3m19 h SER 201 N -0.01 0.37 -0.91 1.25 4.64 -0.95 0.22 113.55 118.16 3m19 h SER 201 Ca 0.04 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3m19 h SER 201 Cb 0.48 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 62.43 3m19 h SER 201 CO 0.02 0.33 0.56 -0.61 -0.87 0.00 0.00 176.83 176.25 3m19 h GLN 202 N 0.38 1.23 -0.55 4.77 4.15 -1.37 -1.78 115.11 121.94 3m19 h GLN 202 Ca 0.11 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 3m19 h GLN 202 Cb 0.03 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.44 3m19 h GLN 202 CO -0.02 0.86 0.22 2.35 -1.93 0.00 0.00 178.83 180.31 3m19 h TRP 203 N 1.25 0.84 -0.70 3.99 7.01 -0.04 -2.44 115.95 125.85 3m19 h TRP 203 Ca 0.33 -0.06 -0.06 0.00 2.11 0.00 0.00 58.89 61.20 3m19 h TRP 203 Cb -0.07 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.71 3m19 h TRP 203 CO 0.00 0.68 0.19 0.82 -2.79 0.00 0.00 178.44 177.34 3m19 h ILE 204 N 0.75 1.26 -0.62 2.65 2.04 -0.37 0.12 117.51 123.34 3m19 h ILE 204 Ca 0.18 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3m19 h ILE 204 Cb 0.20 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3m19 h ILE 204 CO -0.02 0.36 0.41 0.03 0.00 0.00 0.00 178.15 178.93 3m19 h ARG 205 N 1.05 0.82 -0.00 2.37 3.08 -1.13 -0.87 114.38 119.70 3m19 h ARG 205 Ca 0.22 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3m19 h ARG 205 Cb 0.34 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3m19 h ARG 205 CO -0.00 0.55 -0.56 0.39 -1.07 0.00 0.00 179.97 179.28 3m19 n GLU 206 N -4.44 0.21 -1.93 0.04 1.02 -0.77 -4.14 120.64 110.64 3m19 n GLU 206 Ca 0.06 -0.14 -0.03 0.00 -0.02 0.00 0.00 57.16 57.04 3m19 n GLU 206 Cb 0.05 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.03 3m19 n GLU 206 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3m19 n ASN 207 N -1.28 2.11 0.17 1.62 3.02 0.36 -4.91 115.26 116.35 3m19 n ASN 207 Ca 0.07 -2.67 0.07 0.00 -0.03 0.00 0.00 54.58 52.02 3m19 n ASN 207 Cb 0.34 -0.41 0.58 0.00 -0.61 0.00 0.00 39.78 39.68 3m19 n ASN 207 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3m19 h SER 208 N 1.80 0.15 0.82 6.41 0.02 -1.33 -0.40 113.55 121.03 3m19 h SER 208 Ca -0.04 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3m19 h SER 208 Cb 1.46 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.96 3m19 h SER 208 CO 0.24 0.10 -0.11 0.78 -1.14 0.00 0.00 176.83 176.71 3m19 h ASN 209 N 0.17 0.00 1.83 3.07 -0.26 -1.91 -2.75 115.58 115.74 3m19 h ASN 209 Ca 0.05 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.77 3m19 h ASN 209 Cb 0.01 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.27 3m19 h ASN 209 CO -0.01 0.11 -0.17 0.11 -1.06 0.00 0.00 177.43 176.40 3m19 h LYS 210 N 0.00 0.00 -6.23 0.81 1.57 -1.27 -3.45 116.57 108.01 3m19 h LYS 210 Ca -0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 3m19 h LYS 210 Cb 0.55 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.76 3m19 h LYS 210 CO 0.01 0.12 0.64 0.08 -0.57 0.00 0.00 179.45 179.73 3m19 s VAL 211 N -3.15 4.45 0.29 0.50 1.01 -1.04 -0.25 120.40 122.21 3m19 s VAL 211 Ca 0.06 0.87 0.09 0.00 0.00 0.00 0.00 61.98 63.00 3m19 s VAL 211 Cb 0.06 -4.45 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 3m19 s VAL 211 CO 0.69 -0.83 -0.10 -0.54 0.00 0.00 0.00 175.10 174.33 3m19 s LYS 212 N 3.83 1.64 -0.23 2.72 1.02 -0.45 0.42 119.74 128.69 3m19 s LYS 212 Ca 0.39 -1.81 0.08 0.00 0.02 0.00 0.00 55.97 54.64 3m19 s LYS 212 Cb -0.10 -1.44 -0.20 0.00 -0.52 0.00 0.00 37.83 35.57 3m19 s LYS 212 CO 0.26 0.13 -0.07 -0.40 -0.92 0.00 0.00 175.35 174.36 3m19 n ASP 213 N -0.64 1.25 -4.74 2.83 5.75 -1.26 -4.48 116.55 115.26 3m19 n ASP 213 Ca -0.05 -0.06 -0.41 0.00 -0.01 0.00 0.00 54.79 54.25 3m19 n ASP 213 Cb 0.63 0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.77 3m19 n ASP 213 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3m19 s GLU 221 N -2.51 4.41 -0.45 0.11 2.12 -1.26 -5.09 118.70 116.03 3m19 s GLU 221 Ca -0.25 2.00 0.07 0.00 0.36 0.00 0.00 54.97 57.15 3m19 s GLU 221 Cb 0.08 -3.21 0.33 0.00 0.26 0.00 0.00 34.13 31.59 3m19 s GLU 221 CO 0.70 -0.22 1.16 0.45 -0.54 0.00 0.00 175.26 176.81 3m19 n SER 222 N 2.65 -2.20 0.25 -1.70 2.88 0.17 -4.98 113.62 110.69 3m19 n SER 222 Ca 0.06 -3.47 0.11 0.00 -1.33 0.00 0.00 58.87 54.24 3m19 n SER 222 Cb 0.43 1.72 0.73 0.00 -0.75 0.00 0.00 64.21 66.34 3m19 n SER 222 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3m19 h PRO 223 N 2.82 0.00 -0.00 -1.46 0.13 -1.76 -0.79 132.00 130.93 3m19 h PRO 223 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3m19 h PRO 223 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3m19 h PRO 223 CO 0.10 0.00 -0.02 -0.25 -0.23 0.00 0.00 178.00 177.60 3m19 n ASP 224 N -4.30 0.03 -0.01 1.44 8.00 -1.26 -2.97 116.55 117.47 3m19 n ASP 224 Ca -0.02 0.11 0.15 0.00 0.71 0.00 0.00 54.79 55.74 3m19 n ASP 224 Cb 0.13 -0.36 0.84 0.00 -0.02 0.00 0.00 41.12 41.71 3m19 n ASP 224 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3m19 n GLY 225 N 1.38 -1.12 3.45 0.44 0.00 -0.30 -4.59 105.19 104.45 3m19 n GLY 225 Ca 0.11 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3m19 n GLY 225 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3m19 s VAL 226 N -2.30 5.12 0.29 1.61 1.01 -1.16 -4.53 120.40 120.44 3m19 s VAL 226 Ca 0.38 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.75 3m19 s VAL 226 Cb 0.21 -3.83 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 3m19 s VAL 226 CO 0.42 -0.26 -0.01 0.42 0.00 0.00 0.00 175.10 175.66 3m19 s THR 227 N 1.66 1.41 0.67 3.92 -4.23 -1.26 -1.58 115.64 116.23 3m19 s THR 227 Ca 0.05 -2.07 -0.11 0.00 -1.18 0.00 0.00 61.69 58.38 3m19 s THR 227 Cb -0.19 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 3m19 s THR 227 CO 0.09 -0.21 1.06 0.00 -0.54 0.00 0.00 174.62 175.03 3m19 h SER 229 N -0.52 0.00 -0.03 0.00 0.87 -0.19 -2.56 113.55 111.12 3m19 h SER 229 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3m19 h SER 229 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 3m19 h SER 229 CO 0.62 0.00 -0.04 -0.90 -0.53 0.00 0.00 176.83 175.98 3m19 n ASP 230 N -4.19 2.82 0.00 6.23 5.68 -1.26 -4.97 116.55 120.86 3m19 n ASP 230 Ca 0.05 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 3m19 n ASP 230 Cb 0.45 0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 3m19 n ASP 230 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3m19 n GLY 231 N 1.35 2.70 3.75 6.12 0.00 -0.97 -5.07 105.19 113.07 3m19 n GLY 231 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3m19 n GLY 231 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3m19 s LYS 232 N -0.80 3.10 -0.03 1.61 2.20 -1.26 -4.67 119.74 119.88 3m19 s LYS 232 Ca 0.00 2.02 -0.30 0.00 -0.36 0.00 0.00 55.97 57.33 3m19 s LYS 232 Cb 0.00 -2.12 -0.04 0.00 -1.51 0.00 0.00 37.83 34.16 3m19 s LYS 232 CO 0.00 -1.16 1.19 0.08 -0.36 0.00 0.00 175.35 175.10 3m19 s VAL 233 N -1.44 4.25 0.26 4.02 1.01 -1.26 0.15 120.40 127.39 3m19 s VAL 233 Ca 0.74 1.59 -0.02 0.00 0.00 0.00 0.00 61.98 64.29 3m19 s VAL 233 Cb -0.35 -4.02 0.23 0.00 0.00 0.00 0.00 36.38 32.24 3m19 s VAL 233 CO 0.40 0.02 1.76 0.58 0.00 0.00 0.00 175.10 177.87 3m19 h VAL 234 N 4.92 0.74 0.00 2.92 2.07 -1.59 -1.90 116.25 123.41 3m19 h VAL 234 Ca -0.36 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3m19 h VAL 234 Cb 1.17 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3m19 h VAL 234 CO 0.86 0.11 0.00 -2.11 0.02 0.00 0.00 177.57 176.45 3m19 n ARG 235 N -4.88 0.42 0.00 1.57 1.85 -1.26 -1.93 116.66 112.44 3m19 n ARG 235 Ca 0.16 0.03 0.13 0.00 -1.00 0.00 0.00 57.85 57.17 3m19 n ARG 235 Cb 0.41 -1.50 0.32 0.00 -1.05 0.00 0.00 32.46 30.64 3m19 n ARG 235 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3m19 n THR 236 N -1.06 0.00 -3.12 8.89 -2.24 -0.71 -4.81 114.28 111.23 3m19 n THR 236 Ca 0.11 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.27 3m19 n THR 236 Cb 0.07 0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 68.93 3m19 n THR 236 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3m19 s VAL 237 N -2.31 5.07 0.29 2.28 1.01 -0.81 -4.91 120.40 121.02 3m19 s VAL 237 Ca 0.27 1.28 0.02 0.00 0.00 0.00 0.00 61.98 63.55 3m19 s VAL 237 Cb 0.20 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 3m19 s VAL 237 CO 0.46 0.24 0.11 0.42 0.00 0.00 0.00 175.10 176.32 3m19 s THR 238 N 1.01 0.59 0.27 3.92 -4.23 -1.26 -4.63 115.64 111.32 3m19 s THR 238 Ca 0.33 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.82 3m19 s THR 238 Cb -0.17 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.34 3m19 s THR 238 CO 0.14 0.00 1.89 -1.13 -0.54 0.00 0.00 174.62 174.98 3m19 h ASN 239 N 2.26 1.01 -0.21 3.99 -1.24 -1.96 -0.82 115.58 118.62 3m19 h ASN 239 Ca -0.37 0.01 0.03 0.00 0.71 0.00 0.00 56.30 56.68 3m19 h ASN 239 Cb 1.25 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 40.06 3m19 h ASN 239 CO 0.60 0.65 0.01 -0.08 -1.29 0.00 0.00 177.43 177.32 3m19 h GLU 240 N 1.15 0.08 -0.95 6.67 4.81 -1.96 0.13 114.58 124.52 3m19 h GLU 240 Ca 0.42 -0.01 0.26 0.00 -0.13 0.00 0.00 59.36 59.91 3m19 h GLU 240 Cb 0.17 -0.02 -0.14 0.00 0.63 0.00 0.00 28.75 29.39 3m19 h GLU 240 CO -0.16 0.06 0.45 1.15 -0.73 0.00 0.00 179.01 179.77 3m19 h THR 241 N 0.09 0.39 -0.28 0.32 2.02 -1.69 -0.50 112.91 113.25 3m19 h THR 241 Ca 0.10 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3m19 h THR 241 Cb 0.11 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.52 3m19 h THR 241 CO -0.15 0.07 0.00 0.18 0.37 0.00 0.00 175.52 175.99 3m19 n LEU 242 N -5.06 3.35 -2.68 2.58 4.77 -0.40 -4.89 117.00 114.68 3m19 n LEU 242 Ca 0.26 -1.70 -0.21 0.00 -0.03 0.00 0.00 56.01 54.33 3m19 n LEU 242 Cb 0.79 -0.59 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3m19 n LEU 242 CO 0.11 0.44 -0.10 0.29 -1.33 0.00 0.00 177.39 176.79 3m19 n LYS 243 N 0.30 -3.54 -2.34 3.23 5.02 -0.20 -2.31 118.16 118.32 3m19 n LYS 243 Ca 0.14 0.92 -0.20 0.00 -2.02 0.00 0.00 58.31 57.15 3m19 n LYS 243 Cb 0.72 -5.65 -0.02 0.00 -0.02 0.00 0.00 35.03 30.07 3m19 n LYS 243 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3m19 n TYR 244 N -4.30 -0.97 1.13 2.13 4.01 0.34 -4.87 117.16 114.62 3m19 n TYR 244 Ca -0.16 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.72 3m19 n TYR 244 Cb 0.64 -3.83 0.66 0.00 -0.31 0.00 0.00 39.34 36.50 3m19 n TYR 244 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3m19 n GLU 245 N -2.95 0.13 0.00 -0.72 1.02 -0.98 -5.05 120.64 112.10 3m19 n GLU 245 Ca -0.24 -0.00 0.08 0.00 -0.02 0.00 0.00 57.16 56.98 3m19 n GLU 245 Cb 0.68 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.66 3m19 n GLU 245 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31