#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k3k h SER 3 N 0.00 0.34 -2.84 2.55 4.64 -1.90 0.48 113.55 116.82 3k3k h SER 3 Ca 0.00 -0.42 0.11 0.00 -0.47 0.00 0.00 61.79 61.02 3k3k h SER 3 Cb 0.00 -0.11 -0.29 0.00 -0.31 0.00 0.00 62.40 61.69 3k3k h SER 3 CO 0.00 1.34 0.63 -1.61 -0.87 0.00 0.00 176.83 176.32 3k3k s GLU 4 N -2.64 0.33 0.16 4.77 2.02 -1.26 -5.12 118.70 116.97 3k3k s GLU 4 Ca -0.06 0.37 -0.31 0.00 0.02 0.00 0.00 54.97 54.99 3k3k s GLU 4 Cb 0.07 0.16 -0.11 0.00 0.10 0.00 0.00 34.13 34.35 3k3k s GLU 4 CO 0.86 -0.04 1.75 -0.51 0.02 0.00 0.00 175.26 177.33 3k3k s LEU 5 N 0.07 4.38 0.66 1.80 1.43 -1.26 -5.00 118.68 120.76 3k3k s LEU 5 Ca 0.05 2.79 -0.16 0.00 -1.03 0.00 0.00 54.13 55.78 3k3k s LEU 5 Cb -0.05 -3.58 -0.00 0.00 0.03 0.00 0.00 46.19 42.59 3k3k s LEU 5 CO -0.09 -0.97 1.13 0.42 0.23 0.00 0.00 176.35 177.07 3k3k s THR 6 N 1.86 3.06 0.29 5.49 -4.23 -1.26 -4.79 115.64 116.06 3k3k s THR 6 Ca 0.77 0.52 0.00 0.00 -1.18 0.00 0.00 61.69 61.80 3k3k s THR 6 Cb -0.47 -3.06 0.34 0.00 1.34 0.00 0.00 72.50 70.65 3k3k s THR 6 CO 0.34 -0.28 1.61 1.55 -0.54 0.00 0.00 174.62 177.30 3k3k h PRO 7 N 0.13 0.10 0.67 3.99 0.13 -1.99 0.67 132.00 135.70 3k3k h PRO 7 Ca -0.47 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 3k3k h PRO 7 Cb 1.26 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3k3k h PRO 7 CO 0.54 0.07 -0.46 1.49 -0.23 0.00 0.00 178.00 179.40 3k3k h GLU 8 N 0.10 -1.04 -0.31 0.86 4.81 -2.00 -2.30 114.58 114.69 3k3k h GLU 8 Ca 0.54 0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.92 3k3k h GLU 8 Cb 1.10 0.24 -0.08 0.00 0.63 0.00 0.00 28.75 30.63 3k3k h GLU 8 CO -0.76 -0.70 -0.28 0.93 -0.73 0.00 0.00 179.01 177.48 3k3k h GLU 9 N -1.08 -0.24 -0.97 1.92 5.08 -1.77 -1.24 114.58 116.28 3k3k h GLU 9 Ca -0.09 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.44 3k3k h GLU 9 Cb 0.89 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 30.04 3k3k h GLU 9 CO 0.05 -0.16 -0.38 0.00 -1.00 0.00 0.00 179.01 177.52 3k3k h ARG 10 N -0.25 -0.01 -0.29 2.33 3.08 -0.84 -0.26 114.38 118.13 3k3k h ARG 10 Ca 0.16 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.07 3k3k h ARG 10 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 3k3k h ARG 10 CO -0.46 -0.01 -0.33 0.77 -1.07 0.00 0.00 179.97 178.87 3k3k h SER 11 N -0.01 0.80 0.14 7.04 0.02 -0.76 -2.35 113.55 118.42 3k3k h SER 11 Ca 0.34 -0.48 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 3k3k h SER 11 Cb 0.60 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 3k3k h SER 11 CO -0.97 1.12 -0.08 -0.33 -1.14 0.00 0.00 176.83 175.44 3k3k h GLU 12 N 0.49 0.00 -0.01 3.45 5.08 -0.64 -2.82 114.58 120.14 3k3k h GLU 12 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3k3k h GLU 12 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3k3k h GLU 12 CO 0.08 0.08 -0.42 1.28 -1.00 0.00 0.00 179.01 179.03 3k3k n LEU 13 N -4.04 1.21 -0.29 1.33 4.77 -0.16 -4.50 117.00 115.30 3k3k n LEU 13 Ca -0.03 -0.38 0.12 0.00 -0.03 0.00 0.00 56.01 55.70 3k3k n LEU 13 Cb 0.16 -0.10 0.28 0.00 -2.33 0.00 0.00 43.42 41.44 3k3k n LEU 13 CO 0.32 0.24 1.01 0.07 -1.33 0.00 0.00 177.39 177.69 3k3k h LYS 14 N 1.23 0.33 -0.28 3.23 2.10 -1.16 0.52 116.57 122.55 3k3k h LYS 14 Ca 0.00 -0.02 -0.12 0.00 -2.00 0.00 0.00 60.65 58.51 3k3k h LYS 14 Cb 0.57 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 31.82 3k3k h LYS 14 CO 0.00 0.22 -0.29 -0.91 -2.00 0.00 0.00 179.45 176.47 3k3k h ASN 15 N 0.34 0.73 -0.32 7.07 2.35 -1.82 -1.59 115.58 122.34 3k3k h ASN 15 Ca 0.53 -0.48 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3k3k h ASN 15 Cb 1.01 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 3k3k h ASN 15 CO -0.55 1.06 0.11 0.28 -1.65 0.00 0.00 177.43 176.68 3k3k h SER 16 N 0.41 0.46 -0.83 5.81 0.02 -1.65 -0.20 113.55 117.57 3k3k h SER 16 Ca 0.04 -0.19 0.08 0.00 -0.84 0.00 0.00 61.79 60.88 3k3k h SER 16 Cb 0.85 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.21 3k3k h SER 16 CO 0.07 0.52 0.50 0.40 -1.14 0.00 0.00 176.83 177.18 3k3k h ILE 17 N 0.37 0.98 -0.15 3.27 2.04 -0.91 0.20 117.51 123.31 3k3k h ILE 17 Ca 0.11 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 3k3k h ILE 17 Cb 0.22 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3k3k h ILE 17 CO -0.01 0.16 0.05 0.00 0.00 0.00 0.00 178.15 178.35 3k3k h ALA 18 N 1.43 0.20 -0.17 1.87 0.00 -0.99 -1.78 119.26 119.81 3k3k h ALA 18 Ca 0.38 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 3k3k h ALA 18 Cb 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3k3k h ALA 18 CO -0.21 -0.19 -0.39 1.49 0.00 0.00 0.00 179.25 179.95 3k3k h GLU 19 N 0.07 0.56 0.00 0.00 4.81 -0.46 -3.39 114.58 116.16 3k3k h GLU 19 Ca 0.05 -0.38 -0.04 0.00 -0.13 0.00 0.00 59.36 58.86 3k3k h GLU 19 Cb 0.21 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3k3k h GLU 19 CO -0.00 0.99 -1.39 1.19 -0.73 0.00 0.00 179.01 179.07 3k3k n PHE 20 N -4.28 0.00 -1.29 0.92 3.72 0.67 -4.79 117.46 112.41 3k3k n PHE 20 Ca -0.06 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.42 3k3k n PHE 20 Cb 0.53 -0.23 0.16 0.00 -0.94 0.00 0.00 39.48 39.00 3k3k n PHE 20 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3k3k n HIS 21 N -1.92 0.00 -5.17 1.38 8.25 -0.69 -4.89 115.22 112.18 3k3k n HIS 21 Ca -0.05 -1.16 -0.31 0.00 -0.26 0.00 0.00 57.72 55.94 3k3k n HIS 21 Cb 0.37 -0.18 -0.17 0.00 1.12 0.00 0.00 29.99 31.12 3k3k n HIS 21 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3k3k s THR 22 N -2.95 1.97 0.08 1.59 2.01 -1.07 -4.92 115.64 112.35 3k3k s THR 22 Ca 0.34 -0.97 0.08 0.00 0.31 0.00 0.00 61.69 61.44 3k3k s THR 22 Cb 0.31 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 3k3k s THR 22 CO -0.01 0.54 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.94 3k3k s TYR 23 N 0.30 1.89 0.07 4.92 2.02 -1.26 -5.04 117.35 120.25 3k3k s TYR 23 Ca -0.17 -0.39 -0.31 0.00 -0.37 0.00 0.00 57.07 55.83 3k3k s TYR 23 Cb -0.17 -1.08 -0.06 0.00 -0.40 0.00 0.00 41.96 40.25 3k3k s TYR 23 CO 0.08 0.17 1.21 -0.65 -1.57 0.00 0.00 175.55 174.78 3k3k s GLN 24 N -1.56 4.43 -0.78 -0.62 -1.52 -1.26 -4.91 119.66 113.43 3k3k s GLN 24 Ca 0.08 1.79 -0.05 0.00 -1.95 0.00 0.00 55.36 55.23 3k3k s GLN 24 Cb -0.09 -3.34 -0.05 0.00 -0.22 0.00 0.00 33.01 29.31 3k3k s GLN 24 CO 0.03 -0.26 1.97 1.28 -0.25 0.00 0.00 175.29 178.06 3k3k n LEU 25 N 3.88 4.26 -4.74 2.90 4.32 -1.26 -4.91 117.00 121.46 3k3k n LEU 25 Ca 0.09 -2.63 -0.41 0.00 -0.02 0.00 0.00 56.01 53.03 3k3k n LEU 25 Cb 0.46 -1.01 -0.03 0.00 -1.62 0.00 0.00 43.42 41.22 3k3k n LEU 25 CO 0.56 0.39 1.06 -0.62 -1.22 0.00 0.00 177.39 177.56 3k3k s ASP 26 N 3.58 6.76 0.41 -1.43 2.15 -1.26 -5.01 116.67 121.87 3k3k s ASP 26 Ca 0.34 2.52 -0.24 0.00 0.43 0.00 0.00 52.55 55.60 3k3k s ASP 26 Cb 0.09 -2.61 -0.08 0.00 -0.30 0.00 0.00 42.92 40.01 3k3k s ASP 26 CO -0.03 -0.64 1.11 -2.16 -0.17 0.00 0.00 175.17 173.28 3k3k s PRO 27 N 0.03 4.06 0.00 4.34 0.04 -1.26 -2.99 135.00 139.22 3k3k s PRO 27 Ca 0.60 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.30 3k3k s PRO 27 Cb -0.39 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.58 3k3k s PRO 27 CO 0.39 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.57 3k3k n GLY 28 N 0.47 1.97 3.53 0.56 0.00 -1.26 -5.01 105.19 105.45 3k3k n GLY 28 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 3k3k n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k3k s SER 29 N -3.47 4.04 0.05 1.61 0.01 -1.16 0.14 113.70 114.91 3k3k s SER 29 Ca 0.00 -0.62 -0.04 0.00 1.31 0.00 0.00 55.95 56.59 3k3k s SER 29 Cb 0.00 -0.61 -0.02 0.00 0.21 0.00 0.00 66.02 65.61 3k3k s SER 29 CO 0.00 0.12 0.07 0.00 0.41 0.00 0.00 173.24 173.84 3k3k s SER 31 N -2.40 0.22 -0.13 0.00 1.04 -1.26 -1.03 113.70 110.14 3k3k s SER 31 Ca -0.01 -0.72 -0.20 0.00 0.48 0.00 0.00 55.95 55.50 3k3k s SER 31 Cb 0.02 0.29 0.05 0.00 0.10 0.00 0.00 66.02 66.47 3k3k s SER 31 CO -0.07 -0.67 0.50 -0.55 0.98 0.00 0.00 173.24 173.44 3k3k s SER 32 N -2.78 -0.48 -0.08 7.02 0.15 -0.82 -4.99 113.70 111.71 3k3k s SER 32 Ca 0.04 0.77 0.04 0.00 0.70 0.00 0.00 55.95 57.50 3k3k s SER 32 Cb 0.05 0.79 -0.01 0.00 -1.71 0.00 0.00 66.02 65.14 3k3k s SER 32 CO -0.10 -0.32 -0.22 -0.22 1.20 0.00 0.00 173.24 173.58 3k3k s LEU 33 N -0.36 2.26 0.14 3.45 2.96 -1.26 -1.68 118.68 124.18 3k3k s LEU 33 Ca -0.05 -0.47 0.10 0.00 -0.22 0.00 0.00 54.13 53.49 3k3k s LEU 33 Cb -0.03 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 3k3k s LEU 33 CO 0.03 0.21 -0.22 -1.00 -1.32 0.00 0.00 176.35 174.05 3k3k s HIS 34 N 0.05 2.01 0.09 5.38 3.76 0.12 -5.00 115.29 121.70 3k3k s HIS 34 Ca -0.09 -0.41 0.05 0.00 -0.15 0.00 0.00 55.06 54.46 3k3k s HIS 34 Cb -0.15 -1.06 -0.03 0.00 1.11 0.00 0.00 32.58 32.45 3k3k s HIS 34 CO 0.06 0.32 -0.13 0.00 -0.85 0.00 0.00 174.74 174.13 3k3k s ALA 35 N -1.43 1.23 -0.13 -1.40 0.00 -1.26 -1.27 121.76 117.50 3k3k s ALA 35 Ca 0.13 -1.10 -0.05 0.00 0.00 0.00 0.00 51.96 50.94 3k3k s ALA 35 Cb -0.09 -0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.03 3k3k s ALA 35 CO 0.06 0.12 0.27 -1.14 0.00 0.00 0.00 175.76 175.07 3k3k s GLN 36 N -2.13 0.15 0.18 0.00 2.00 -0.03 -3.63 119.66 116.21 3k3k s GLN 36 Ca 0.02 0.76 -0.28 0.00 -2.00 0.00 0.00 55.36 53.86 3k3k s GLN 36 Cb -0.08 -0.02 -0.08 0.00 0.80 0.00 0.00 33.01 33.63 3k3k s GLN 36 CO 0.02 -0.29 0.88 0.50 -0.50 0.00 0.00 175.29 175.90 3k3k s ARG 37 N 2.43 4.72 -0.06 1.67 3.52 0.17 -0.62 118.95 130.77 3k3k s ARG 37 Ca 0.01 1.35 -0.00 0.00 -0.13 0.00 0.00 55.73 56.96 3k3k s ARG 37 Cb -0.12 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 30.00 3k3k s ARG 37 CO -0.09 0.47 -0.02 0.42 -0.81 0.00 0.00 175.30 175.27 3k3k s ILE 38 N -0.91 0.47 -1.32 4.11 1.01 0.30 -4.88 121.20 119.99 3k3k s ILE 38 Ca 0.40 -0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.94 3k3k s ILE 38 Cb -0.24 -0.56 0.14 0.00 0.01 0.00 0.00 42.46 41.81 3k3k s ILE 38 CO 0.29 0.24 1.98 1.41 0.00 0.00 0.00 174.94 178.86 3k3k n HIS 39 N 4.58 3.01 -3.71 3.97 8.25 -1.26 -1.08 115.22 128.98 3k3k n HIS 39 Ca -0.16 -2.82 -0.10 0.00 -0.26 0.00 0.00 57.72 54.37 3k3k n HIS 39 Cb 0.50 -2.06 -0.04 0.00 1.12 0.00 0.00 29.99 29.52 3k3k n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k3k s ALA 40 N 0.86 -0.97 0.23 -1.41 0.00 -1.26 -4.69 121.76 114.52 3k3k s ALA 40 Ca 0.42 -0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 3k3k s ALA 40 Cb 0.11 0.84 -0.09 0.00 0.00 0.00 0.00 23.12 23.98 3k3k s ALA 40 CO -0.02 -0.79 1.30 -2.14 0.00 0.00 0.00 175.76 174.11 3k3k s PRO 41 N -3.86 4.40 0.54 0.00 0.02 -1.26 -3.61 135.00 131.22 3k3k s PRO 41 Ca 0.08 2.08 0.24 0.00 0.02 0.00 0.00 61.00 63.43 3k3k s PRO 41 Cb -0.01 -3.16 1.41 0.00 0.02 0.00 0.00 34.50 32.76 3k3k s PRO 41 CO -0.04 -0.21 2.03 -1.00 -0.33 0.00 0.00 177.00 177.45 3k3k h PRO 42 N 4.84 0.00 -0.65 5.54 0.13 -1.89 -0.64 132.00 139.33 3k3k h PRO 42 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 3k3k h PRO 42 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 3k3k h PRO 42 CO 0.74 0.00 0.15 1.05 -0.23 0.00 0.00 178.00 179.71 3k3k h GLU 43 N 0.00 1.02 -0.26 0.86 9.09 -1.99 -0.30 114.58 123.01 3k3k h GLU 43 Ca 0.19 -0.23 -0.05 0.00 0.05 0.00 0.00 59.36 59.31 3k3k h GLU 43 Cb 0.79 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.74 3k3k h GLU 43 CO -0.00 0.91 -0.05 1.25 0.05 0.00 0.00 179.01 181.17 3k3k h LEU 44 N 0.97 0.49 -0.24 3.06 5.85 -1.52 -0.67 115.31 123.26 3k3k h LEU 44 Ca 0.21 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3k3k h LEU 44 Cb 0.35 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3k3k h LEU 44 CO 0.00 0.72 0.16 0.58 -0.34 0.00 0.00 178.44 179.56 3k3k h VAL 45 N 0.24 1.06 -0.90 1.05 2.07 -1.28 -2.61 116.25 115.88 3k3k h VAL 45 Ca 0.07 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.52 3k3k h VAL 45 Cb 0.50 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 3k3k h VAL 45 CO 0.02 0.06 0.58 -0.25 0.02 0.00 0.00 177.57 178.00 3k3k h TRP 46 N 0.32 1.08 -0.10 1.57 2.91 -0.96 -1.88 115.95 118.90 3k3k h TRP 46 Ca 0.09 0.03 0.03 0.00 1.13 0.00 0.00 58.89 60.16 3k3k h TRP 46 Cb -0.04 -0.36 -0.00 0.00 -0.51 0.00 0.00 29.16 28.25 3k3k h TRP 46 CO -0.06 0.60 0.08 0.66 -1.03 0.00 0.00 178.44 178.69 3k3k h SER 47 N 1.10 0.00 0.00 2.65 4.64 -0.74 -0.36 113.55 120.85 3k3k h SER 47 Ca 0.37 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3k3k h SER 47 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3k3k h SER 47 CO -0.13 0.00 -0.02 0.40 -0.87 0.00 0.00 176.83 176.21 3k3k h ILE 48 N 0.00 1.53 0.00 0.95 2.04 -1.21 -3.38 117.51 117.44 3k3k h ILE 48 Ca 0.05 -2.15 -0.05 0.00 1.00 0.00 0.00 64.86 63.70 3k3k h ILE 48 Cb 0.21 2.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.18 3k3k h ILE 48 CO -0.00 0.52 -0.24 0.58 0.00 0.00 0.00 178.15 179.00 3k3k h VAL 49 N -1.00 0.74 0.00 1.67 2.07 -1.04 -2.76 116.25 115.93 3k3k h VAL 49 Ca -0.00 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3k3k h VAL 49 Cb 0.86 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3k3k h VAL 49 CO -0.00 0.24 -0.09 -2.11 0.02 0.00 0.00 177.57 175.63 3k3k n ARG 50 N -3.62 0.05 -2.61 1.57 1.85 -0.17 -4.68 116.66 109.05 3k3k n ARG 50 Ca -0.01 0.04 -0.41 0.00 -1.00 0.00 0.00 57.85 56.46 3k3k n ARG 50 Cb 0.37 -1.55 -0.03 0.00 -1.05 0.00 0.00 32.46 30.20 3k3k n ARG 50 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3k3k s ARG 51 N -3.02 3.62 0.38 2.89 1.81 -1.04 -4.81 118.95 118.78 3k3k s ARG 51 Ca 0.13 -1.26 0.15 0.00 -1.72 0.00 0.00 55.73 53.03 3k3k s ARG 51 Cb 0.18 -5.32 0.78 0.00 -0.45 0.00 0.00 34.95 30.14 3k3k s ARG 51 CO 0.57 -2.16 1.82 0.35 -0.68 0.00 0.00 175.30 175.21 3k3k h PHE 52 N 9.53 0.00 -0.00 -0.53 3.57 -1.88 -1.38 116.94 126.25 3k3k h PHE 52 Ca 0.21 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.71 3k3k h PHE 52 Cb 1.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.74 3k3k h PHE 52 CO 1.27 0.36 -0.08 -0.40 -2.23 0.00 0.00 178.31 177.24 3k3k n ASP 53 N -3.92 0.46 -3.10 0.41 5.75 -1.26 -4.23 116.55 110.66 3k3k n ASP 53 Ca -0.02 -0.68 -0.22 0.00 -0.01 0.00 0.00 54.79 53.87 3k3k n ASP 53 Cb 0.42 -0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 40.40 3k3k n ASP 53 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3k3k n LYS 54 N -0.89 1.89 0.25 0.11 4.76 -0.52 -4.84 118.16 118.92 3k3k n LYS 54 Ca 0.16 -3.99 0.11 0.00 -2.87 0.00 0.00 58.31 51.72 3k3k n LYS 54 Cb 0.26 -1.91 0.65 0.00 -1.84 0.00 0.00 35.03 32.19 3k3k n LYS 54 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3k3k h PRO 55 N 3.06 0.00 0.00 1.97 0.13 -1.74 -2.84 132.00 132.59 3k3k h PRO 55 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3k3k h PRO 55 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3k3k h PRO 55 CO 0.63 0.16 0.00 -0.56 -0.23 0.00 0.00 178.00 178.00 3k3k h GLN 56 N 0.00 0.00 -0.18 0.86 -0.00 -1.90 -0.27 115.11 113.62 3k3k h GLN 56 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 3k3k h GLN 56 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.87 3k3k h GLN 56 CO 0.02 0.00 -0.04 1.15 -0.00 0.00 0.00 178.83 179.96 3k3k h THR 57 N 0.00 1.14 0.00 1.86 2.02 -1.91 -3.31 112.91 112.71 3k3k h THR 57 Ca 0.00 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.62 3k3k h THR 57 Cb 0.21 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3k3k h THR 57 CO 0.00 0.18 0.00 0.00 0.37 0.00 0.00 175.52 176.07 3k3k n TYR 58 N -4.35 0.00 -4.42 3.16 0.18 -0.88 -4.91 117.16 105.94 3k3k n TYR 58 Ca -0.00 0.00 -0.31 0.00 1.88 0.00 0.00 57.90 59.46 3k3k n TYR 58 Cb 0.20 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.06 3k3k n TYR 58 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3k3k s LYS 59 N -0.14 2.39 0.74 -3.48 1.02 -0.16 -3.74 119.74 116.36 3k3k s LYS 59 Ca 0.00 -0.83 -0.11 0.00 0.02 0.00 0.00 55.97 55.05 3k3k s LYS 59 Cb 0.00 -2.42 0.04 0.00 -0.52 0.00 0.00 37.83 34.93 3k3k s LYS 59 CO 0.00 0.57 1.12 -1.01 -0.92 0.00 0.00 175.35 175.11 3k3k s HIS 60 N -1.05 3.18 0.00 3.18 3.76 -1.26 -4.49 115.29 118.61 3k3k s HIS 60 Ca 0.18 0.92 0.00 0.00 -0.15 0.00 0.00 55.06 56.01 3k3k s HIS 60 Cb -0.11 -3.21 0.00 0.00 1.11 0.00 0.00 32.58 30.37 3k3k s HIS 60 CO 0.09 -1.38 0.00 1.19 -0.85 0.00 0.00 174.74 173.79 3k3k n PHE 61 N -3.10 0.00 -3.40 1.40 3.72 -1.26 -4.98 117.46 109.85 3k3k n PHE 61 Ca 0.07 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.08 3k3k n PHE 61 Cb 0.59 -0.27 -0.09 0.00 -0.94 0.00 0.00 39.48 38.76 3k3k n PHE 61 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3k3k s ILE 62 N -2.99 5.17 -0.06 4.37 1.01 -1.26 -0.87 121.20 126.57 3k3k s ILE 62 Ca 0.00 0.38 -0.25 0.00 0.00 0.00 0.00 60.65 60.78 3k3k s ILE 62 Cb 0.00 -3.74 -0.23 0.00 0.01 0.00 0.00 42.46 38.51 3k3k s ILE 62 CO 0.00 0.07 1.05 0.50 0.00 0.00 0.00 174.94 176.56 3k3k h LYS 63 N 8.29 0.11 -2.95 2.79 3.64 -0.95 -3.46 116.57 124.04 3k3k h LYS 63 Ca -0.31 -0.11 0.07 0.00 -1.27 0.00 0.00 60.65 59.03 3k3k h LYS 63 Cb 1.16 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 3k3k h LYS 63 CO 0.66 0.83 0.24 -1.54 -2.27 0.00 0.00 179.45 177.37 3k3k s SER 64 N -6.15 -0.29 -0.08 4.20 1.04 -1.15 -5.02 113.70 106.25 3k3k s SER 64 Ca -0.16 -0.52 -0.07 0.00 0.48 0.00 0.00 55.95 55.68 3k3k s SER 64 Cb 0.01 0.70 0.02 0.00 0.10 0.00 0.00 66.02 66.85 3k3k s SER 64 CO 0.72 -1.27 0.20 0.00 0.98 0.00 0.00 173.24 173.87 3k3k s SER 66 N 0.29 1.94 0.27 0.00 1.04 -0.81 -4.97 113.70 111.45 3k3k s SER 66 Ca -0.01 -0.76 0.03 0.00 0.48 0.00 0.00 55.95 55.69 3k3k s SER 66 Cb -0.03 -0.07 -0.06 0.00 0.10 0.00 0.00 66.02 65.97 3k3k s SER 66 CO -0.01 -0.12 0.06 0.68 0.98 0.00 0.00 173.24 174.83 3k3k s VAL 67 N -1.88 0.89 0.95 5.02 -7.23 -1.26 -0.78 120.40 116.12 3k3k s VAL 67 Ca 0.06 -2.01 -0.12 0.00 -1.81 0.00 0.00 61.98 58.10 3k3k s VAL 67 Cb -0.06 -2.61 0.05 0.00 0.56 0.00 0.00 36.38 34.32 3k3k s VAL 67 CO 0.03 -0.09 0.48 -1.84 -0.31 0.00 0.00 175.10 173.37 3k3k n GLU 68 N -0.53 -0.34 -2.71 4.82 0.28 -1.26 -4.87 120.64 116.03 3k3k n GLU 68 Ca -0.02 -0.06 -0.43 0.00 -0.16 0.00 0.00 57.16 56.49 3k3k n GLU 68 Cb 0.66 -1.91 0.00 0.00 1.43 0.00 0.00 31.44 31.61 3k3k n GLU 68 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3k3k n GLN 69 N -2.00 3.35 0.00 3.44 1.13 -1.26 -2.86 117.38 119.18 3k3k n GLN 69 Ca 0.07 -3.62 0.00 0.00 -1.94 0.00 0.00 57.00 51.51 3k3k n GLN 69 Cb 0.54 -3.13 0.00 0.00 0.11 0.00 0.00 30.24 27.76 3k3k n GLN 69 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3k3k n ASN 70 N 5.92 0.00 -0.57 1.08 4.13 -1.26 -5.13 115.26 119.43 3k3k n ASN 70 Ca 0.41 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.67 3k3k n ASN 70 Cb 0.42 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.66 3k3k n ASN 70 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 3k3k n PHE 71 N 0.00 0.00 -4.77 3.10 7.35 -1.13 -5.01 117.46 117.00 3k3k n PHE 71 Ca 0.00 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.43 3k3k n PHE 71 Cb 0.00 -0.19 -0.16 0.00 0.35 0.00 0.00 39.48 39.48 3k3k n PHE 71 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3k3k s GLU 72 N -0.05 1.90 -1.05 -4.13 2.02 -1.26 -5.08 118.70 111.05 3k3k s GLU 72 Ca 0.00 -0.55 -0.22 0.00 0.02 0.00 0.00 54.97 54.22 3k3k s GLU 72 Cb 0.00 -1.57 0.06 0.00 0.10 0.00 0.00 34.13 32.72 3k3k s GLU 72 CO 0.00 0.14 1.45 1.41 0.02 0.00 0.00 175.26 178.28 3k3k s MET 73 N 0.35 3.66 0.12 1.61 1.75 -1.26 -4.88 119.30 120.65 3k3k s MET 73 Ca -0.11 -1.34 0.07 0.00 -1.25 0.00 0.00 55.69 53.06 3k3k s MET 73 Cb -0.14 -5.33 -0.04 0.00 2.84 0.00 0.00 34.83 32.16 3k3k s MET 73 CO 0.04 -2.16 -0.17 1.03 -0.65 0.00 0.00 175.02 173.10 3k3k s ARG 74 N 4.55 1.09 0.25 4.11 0.52 -1.26 -5.08 118.95 123.14 3k3k s ARG 74 Ca 0.46 -1.22 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 3k3k s ARG 74 Cb -0.00 -1.16 -0.14 0.00 0.52 0.00 0.00 34.95 34.17 3k3k s ARG 74 CO -0.07 0.25 1.21 0.28 0.02 0.00 0.00 175.30 176.99 3k3k n VAL 75 N 0.75 1.35 0.00 3.52 0.31 -1.26 -1.26 118.33 121.74 3k3k n VAL 75 Ca -0.17 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 3k3k n VAL 75 Cb 0.55 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 3k3k n VAL 75 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k3k n GLY 76 N 1.69 1.04 3.74 2.92 0.00 0.19 -5.01 105.19 109.76 3k3k n GLY 76 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3k3k n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k3k s THR 78 N -2.82 1.78 0.04 0.00 -4.23 -1.26 -0.53 115.64 108.62 3k3k s THR 78 Ca 0.63 -2.20 -0.00 0.00 -1.18 0.00 0.00 61.69 58.94 3k3k s THR 78 Cb -0.19 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 3k3k s THR 78 CO 0.57 -0.46 -0.04 0.00 -0.54 0.00 0.00 174.62 174.15 3k3k s ARG 79 N -3.66 0.46 -0.33 3.99 1.70 -0.56 -4.45 118.95 116.09 3k3k s ARG 79 Ca 0.26 -0.86 -0.00 0.00 -0.47 0.00 0.00 55.73 54.66 3k3k s ARG 79 Cb 0.01 0.09 0.07 0.00 -0.57 0.00 0.00 34.95 34.55 3k3k s ARG 79 CO 0.10 -0.06 0.04 -0.51 -1.08 0.00 0.00 175.30 173.78 3k3k s ASP 80 N -2.03 4.88 -0.08 -2.89 1.01 0.04 -2.04 116.67 115.56 3k3k s ASP 80 Ca -0.06 -1.63 -0.16 0.00 0.71 0.00 0.00 52.55 51.40 3k3k s ASP 80 Cb -0.03 -1.70 -0.05 0.00 1.01 0.00 0.00 42.92 42.15 3k3k s ASP 80 CO -0.04 -0.34 0.41 -0.69 0.21 0.00 0.00 175.17 174.73 3k3k s VAL 81 N 1.14 5.15 -0.18 -1.27 1.01 0.42 -1.93 120.40 124.72 3k3k s VAL 81 Ca 0.00 0.83 -0.05 0.00 0.00 0.00 0.00 61.98 62.76 3k3k s VAL 81 Cb -0.20 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3k3k s VAL 81 CO -0.04 0.44 0.01 -0.63 0.00 0.00 0.00 175.10 174.88 3k3k s ILE 82 N -0.10 4.16 0.10 2.22 -1.09 0.44 -0.86 121.20 126.07 3k3k s ILE 82 Ca 0.23 -0.25 -0.05 0.00 -2.23 0.00 0.00 60.65 58.35 3k3k s ILE 82 Cb -0.15 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.81 3k3k s ILE 82 CO 0.10 0.45 0.34 -0.69 -1.23 0.00 0.00 174.94 173.91 3k3k s VAL 83 N 0.66 5.21 0.70 2.92 1.01 -0.27 -0.32 120.40 130.31 3k3k s VAL 83 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.90 3k3k s VAL 83 Cb -0.14 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.65 3k3k s VAL 83 CO 0.02 0.15 1.16 0.27 0.00 0.00 0.00 175.10 176.70 3k3k s ILE 84 N -1.54 2.71 0.48 2.22 -4.36 -0.05 -4.67 121.20 115.98 3k3k s ILE 84 Ca 0.37 0.34 -0.22 0.00 -0.26 0.00 0.00 60.65 60.88 3k3k s ILE 84 Cb -0.13 -2.88 -0.07 0.00 1.25 0.00 0.00 42.46 40.63 3k3k s ILE 84 CO 0.22 -0.19 1.12 -0.94 0.24 0.00 0.00 174.94 175.39 3k3k s SER 85 N -2.26 6.15 0.00 4.36 1.04 -1.26 -3.97 113.70 117.75 3k3k s SER 85 Ca 0.71 2.17 0.00 0.00 0.48 0.00 0.00 55.95 59.31 3k3k s SER 85 Cb -0.25 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.28 3k3k s SER 85 CO 0.43 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.34 3k3k n GLY 86 N 0.23 1.50 3.84 7.32 0.00 -1.26 -5.12 105.19 111.70 3k3k n GLY 86 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 3k3k n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k3k s LEU 87 N 0.00 3.16 0.22 0.99 1.43 -1.25 -4.99 118.68 118.23 3k3k s LEU 87 Ca 0.00 -0.96 0.16 0.00 -1.03 0.00 0.00 54.13 52.31 3k3k s LEU 87 Cb 0.00 -1.68 0.84 0.00 0.03 0.00 0.00 46.19 45.38 3k3k s LEU 87 CO 0.00 -0.72 1.50 -2.65 0.23 0.00 0.00 176.35 174.70 3k3k n PRO 88 N -1.51 0.11 -4.20 1.29 -0.02 -1.26 -4.70 135.00 124.71 3k3k n PRO 88 Ca 0.01 0.56 -0.17 0.00 -2.02 0.00 0.00 63.50 61.88 3k3k n PRO 88 Cb 0.63 -1.81 -0.11 0.00 -0.02 0.00 0.00 33.50 32.18 3k3k n PRO 88 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k3k s ALA 89 N -3.36 1.27 -0.23 3.55 0.00 -1.26 -4.48 121.76 117.25 3k3k s ALA 89 Ca -0.01 -1.16 0.08 0.00 0.00 0.00 0.00 51.96 50.87 3k3k s ALA 89 Cb 0.05 -0.05 -0.20 0.00 0.00 0.00 0.00 23.12 22.92 3k3k s ALA 89 CO 0.18 0.08 -0.10 0.09 0.00 0.00 0.00 175.76 176.01 3k3k n ASN 90 N 0.78 1.24 -3.77 0.00 3.02 -0.93 -4.75 115.26 110.86 3k3k n ASN 90 Ca -0.17 -0.07 -0.10 0.00 -0.03 0.00 0.00 54.58 54.21 3k3k n ASN 90 Cb 0.56 0.10 -0.06 0.00 -0.61 0.00 0.00 39.78 39.77 3k3k n ASN 90 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3k3k s THR 91 N -2.51 0.10 -0.13 3.41 -4.23 -1.25 -1.11 115.64 109.92 3k3k s THR 91 Ca -0.25 -0.94 -0.09 0.00 -1.18 0.00 0.00 61.69 59.23 3k3k s THR 91 Cb 0.08 -1.32 0.04 0.00 1.34 0.00 0.00 72.50 72.64 3k3k s THR 91 CO 0.69 -0.47 0.33 -0.55 -0.54 0.00 0.00 174.62 174.08 3k3k s SER 92 N -2.85 -0.37 -0.18 3.99 0.15 -0.04 -2.89 113.70 111.51 3k3k s SER 92 Ca 0.05 0.69 -0.06 0.00 0.70 0.00 0.00 55.95 57.33 3k3k s SER 92 Cb 0.03 0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 64.93 3k3k s SER 92 CO -0.10 -0.15 0.02 -0.89 1.20 0.00 0.00 173.24 173.32 3k3k s THR 93 N 0.83 4.33 0.04 6.45 2.01 -0.10 -0.44 115.64 128.76 3k3k s THR 93 Ca -0.05 -0.19 0.06 0.00 0.31 0.00 0.00 61.69 61.81 3k3k s THR 93 Cb -0.06 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 3k3k s THR 93 CO -0.06 0.46 -0.18 -1.61 -0.69 0.00 0.00 174.62 172.54 3k3k s GLU 94 N 0.54 1.19 -0.10 4.92 2.02 -0.86 0.01 118.70 126.41 3k3k s GLU 94 Ca 0.00 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.20 3k3k s GLU 94 Cb -0.14 -1.25 -0.00 0.00 0.10 0.00 0.00 34.13 32.84 3k3k s GLU 94 CO 0.02 0.32 -0.24 0.50 0.02 0.00 0.00 175.26 175.88 3k3k s ARG 95 N -1.10 2.97 -0.05 1.61 3.52 0.28 -1.50 118.95 124.68 3k3k s ARG 95 Ca 0.05 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.48 3k3k s ARG 95 Cb -0.08 -2.26 -0.05 0.00 -1.56 0.00 0.00 34.95 31.00 3k3k s ARG 95 CO 0.01 0.19 1.44 -1.17 -0.81 0.00 0.00 175.30 174.97 3k3k s LEU 96 N 0.30 4.29 -0.19 -0.88 2.96 0.31 -1.45 118.68 124.03 3k3k s LEU 96 Ca -0.18 2.07 0.08 0.00 -0.22 0.00 0.00 54.13 55.88 3k3k s LEU 96 Cb -0.18 -3.55 -0.22 0.00 0.50 0.00 0.00 46.19 42.75 3k3k s LEU 96 CO 0.08 -0.79 0.08 0.47 -1.32 0.00 0.00 176.35 174.88 3k3k n ASP 97 N 6.09 1.19 -3.75 3.68 8.00 -0.04 -0.64 116.55 131.07 3k3k n ASP 97 Ca 0.14 0.03 -0.12 0.00 0.71 0.00 0.00 54.79 55.55 3k3k n ASP 97 Cb 0.44 0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.46 3k3k n ASP 97 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k3k s ILE 98 N -2.53 -0.02 -0.25 0.53 1.01 -1.16 -4.85 121.20 113.93 3k3k s ILE 98 Ca -0.21 0.08 -0.02 0.00 0.00 0.00 0.00 60.65 60.50 3k3k s ILE 98 Cb 0.07 -0.37 0.12 0.00 0.01 0.00 0.00 42.46 42.29 3k3k s ILE 98 CO 0.73 0.03 0.29 -0.22 0.00 0.00 0.00 174.94 175.77 3k3k s LEU 99 N 0.75 -0.27 -0.30 2.97 2.96 -1.26 -2.33 118.68 121.20 3k3k s LEU 99 Ca -0.05 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3k3k s LEU 99 Cb -0.06 0.58 0.09 0.00 0.50 0.00 0.00 46.19 47.29 3k3k s LEU 99 CO -0.05 -0.35 0.04 -0.62 -1.32 0.00 0.00 176.35 174.05 3k3k s ASP 100 N 2.38 4.27 0.53 3.68 -1.08 -0.13 -4.97 116.67 121.35 3k3k s ASP 100 Ca 0.09 -1.72 0.31 0.00 -0.52 0.00 0.00 52.55 50.72 3k3k s ASP 100 Cb -0.15 -1.24 1.22 0.00 -1.46 0.00 0.00 42.92 41.30 3k3k s ASP 100 CO -0.23 -0.36 1.93 0.44 0.52 0.00 0.00 175.17 177.48 3k3k h ASP 101 N 7.87 0.00 0.50 -0.34 3.32 -1.97 0.11 116.42 125.90 3k3k h ASP 101 Ca -0.11 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.64 3k3k h ASP 101 Cb 1.03 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.59 3k3k h ASP 101 CO 0.47 0.03 -1.38 -0.33 -1.72 0.00 0.00 179.24 176.32 3k3k h GLU 102 N 0.00 0.33 -0.01 3.56 4.39 -1.97 -3.33 114.58 117.55 3k3k h GLU 102 Ca -0.00 -0.56 0.00 0.00 0.34 0.00 0.00 59.36 59.14 3k3k h GLU 102 Cb 0.58 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 3k3k h GLU 102 CO 0.00 1.24 -0.46 0.54 -1.16 0.00 0.00 179.01 179.18 3k3k n ARG 103 N -3.55 1.37 -3.34 2.33 1.74 -1.17 -5.01 116.66 109.04 3k3k n ARG 103 Ca -0.13 -0.82 -0.17 0.00 -0.77 0.00 0.00 57.85 55.96 3k3k n ARG 103 Cb 1.05 -1.38 0.06 0.00 -1.02 0.00 0.00 32.46 31.16 3k3k n ARG 103 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3k3k n ARG 104 N -0.21 -1.90 -4.31 5.56 1.74 0.33 -4.70 116.66 113.16 3k3k n ARG 104 Ca 0.08 0.84 -0.22 0.00 -0.77 0.00 0.00 57.85 57.78 3k3k n ARG 104 Cb 0.40 -5.38 -0.16 0.00 -1.02 0.00 0.00 32.46 26.29 3k3k n ARG 104 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3k3k s VAL 105 N -3.36 0.75 0.14 1.55 1.01 -0.96 -1.88 120.40 117.66 3k3k s VAL 105 Ca 0.41 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.15 3k3k s VAL 105 Cb -0.08 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3k3k s VAL 105 CO 0.77 0.27 -0.01 0.28 0.00 0.00 0.00 175.10 176.42 3k3k s THR 106 N 0.83 0.56 -0.01 3.92 -1.32 -0.19 -0.96 115.64 118.48 3k3k s THR 106 Ca -0.12 -1.95 -0.29 0.00 -1.21 0.00 0.00 61.69 58.12 3k3k s THR 106 Cb -0.15 -1.98 0.10 0.00 -1.51 0.00 0.00 72.50 68.96 3k3k s THR 106 CO 0.01 -0.58 0.89 -0.83 -2.21 0.00 0.00 174.62 171.89 3k3k s GLY 107 N -3.11 -0.46 0.17 6.08 0.00 -0.98 -0.79 107.32 108.22 3k3k s GLY 107 Ca 0.21 1.04 -0.10 0.00 0.00 0.00 0.00 44.72 45.86 3k3k s GLY 107 CO 0.01 0.36 0.32 -0.11 0.00 0.00 0.00 173.10 173.68 3k3k s PHE 108 N -3.06 0.31 -0.01 1.90 -0.12 -0.54 -0.86 117.98 115.60 3k3k s PHE 108 Ca 0.05 -0.67 0.04 0.00 -0.05 0.00 0.00 56.93 56.29 3k3k s PHE 108 Cb -0.01 0.02 -0.01 0.00 -0.63 0.00 0.00 43.02 42.39 3k3k s PHE 108 CO -0.09 -0.75 -0.12 -1.12 -0.05 0.00 0.00 175.22 173.10 3k3k s SER 109 N -2.95 1.39 -0.13 1.98 0.01 -0.53 -1.07 113.70 112.40 3k3k s SER 109 Ca 0.15 -0.22 -0.25 0.00 1.31 0.00 0.00 55.95 56.94 3k3k s SER 109 Cb 0.03 -0.15 -0.02 0.00 0.21 0.00 0.00 66.02 66.08 3k3k s SER 109 CO -0.01 0.14 0.82 -0.63 0.41 0.00 0.00 173.24 173.97 3k3k s ILE 110 N -0.30 4.91 -0.45 1.44 1.01 -0.04 -0.55 121.20 127.22 3k3k s ILE 110 Ca 0.04 1.63 0.05 0.00 0.00 0.00 0.00 60.65 62.37 3k3k s ILE 110 Cb -0.05 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.30 3k3k s ILE 110 CO -0.00 0.08 0.48 2.30 0.00 0.00 0.00 174.94 177.80 3k3k n ILE 111 N 4.46 0.00 -4.03 2.92 -5.35 0.10 -4.45 119.36 113.01 3k3k n ILE 111 Ca 0.03 -0.46 0.04 0.00 -0.27 0.00 0.00 62.75 62.09 3k3k n ILE 111 Cb 0.49 1.06 0.01 0.00 -1.74 0.00 0.00 39.64 39.47 3k3k n ILE 111 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k3k n GLY 112 N 0.57 0.14 0.00 3.28 0.00 -1.10 -4.97 105.19 103.12 3k3k n GLY 112 Ca 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.01 3k3k n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k3k n GLY 113 N -0.96 2.72 3.49 -0.02 0.00 -1.26 -0.93 105.19 108.23 3k3k n GLY 113 Ca 0.06 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.61 3k3k n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k3k s GLU 114 N -2.52 3.59 0.02 1.61 2.12 -1.14 -4.94 118.70 117.44 3k3k s GLU 114 Ca 0.00 -1.54 -0.01 0.00 0.36 0.00 0.00 54.97 53.78 3k3k s GLU 114 Cb 0.00 -5.05 0.00 0.00 0.26 0.00 0.00 34.13 29.34 3k3k s GLU 114 CO 0.00 -1.92 0.05 -2.39 -0.54 0.00 0.00 175.26 170.46 3k3k n HIS 115 N 7.32 -0.91 -1.00 5.30 1.44 -1.26 -2.18 115.22 123.93 3k3k n HIS 115 Ca 0.27 -0.09 0.09 0.00 -2.01 0.00 0.00 57.72 55.98 3k3k n HIS 115 Cb 0.50 0.04 0.19 0.00 0.12 0.00 0.00 29.99 30.84 3k3k n HIS 115 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3k3k n ARG 116 N -0.03 2.05 -3.02 -1.40 5.12 -1.26 -4.88 116.66 113.24 3k3k n ARG 116 Ca -0.00 -2.66 -0.34 0.00 -1.93 0.00 0.00 57.85 52.91 3k3k n ARG 116 Cb 0.03 -1.63 -0.02 0.00 -1.16 0.00 0.00 32.46 29.67 3k3k n ARG 116 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3k3k n LEU 117 N -0.99 5.47 -4.73 0.55 4.77 -1.26 -4.98 117.00 115.84 3k3k n LEU 117 Ca 0.18 -5.43 -0.42 0.00 -0.03 0.00 0.00 56.01 50.31 3k3k n LEU 117 Cb 0.74 -0.91 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 3k3k n LEU 117 CO 0.07 2.04 1.04 0.42 -1.33 0.00 0.00 177.39 179.63 3k3k s THR 118 N -3.48 3.13 -1.93 -5.08 -4.23 -1.26 -2.29 115.64 100.50 3k3k s THR 118 Ca 0.40 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 3k3k s THR 118 Cb 0.16 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.44 3k3k s THR 118 CO -0.04 0.11 0.00 0.59 -0.54 0.00 0.00 174.62 174.74 3k3k n ASN 119 N 3.12 -5.59 -4.72 3.99 3.02 -1.26 -1.73 115.26 112.09 3k3k n ASN 119 Ca 0.08 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.46 3k3k n ASN 119 Cb 0.42 -4.74 -0.03 0.00 -0.61 0.00 0.00 39.78 34.82 3k3k n ASN 119 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3k3k s TYR 120 N -2.88 3.03 -0.03 3.10 5.04 -0.97 -4.46 117.35 120.19 3k3k s TYR 120 Ca 0.00 0.58 -0.00 0.00 -2.44 0.00 0.00 57.07 55.20 3k3k s TYR 120 Cb 0.00 -3.97 0.03 0.00 0.35 0.00 0.00 41.96 38.37 3k3k s TYR 120 CO 0.00 -3.58 0.05 0.21 -1.34 0.00 0.00 175.55 170.88 3k3k s LYS 121 N 1.13 -0.02 0.03 4.97 2.20 -0.34 -0.86 119.74 126.85 3k3k s LYS 121 Ca 0.71 0.21 0.07 0.00 -0.36 0.00 0.00 55.97 56.60 3k3k s LYS 121 Cb -0.45 -0.23 -0.02 0.00 -1.51 0.00 0.00 37.83 35.62 3k3k s LYS 121 CO 0.31 -0.17 -0.19 0.45 -0.36 0.00 0.00 175.35 175.40 3k3k s SER 122 N 1.07 2.31 -0.01 1.43 0.15 -0.23 -1.13 113.70 117.28 3k3k s SER 122 Ca -0.09 -0.47 0.04 0.00 0.70 0.00 0.00 55.95 56.14 3k3k s SER 122 Cb -0.12 -0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 63.97 3k3k s SER 122 CO -0.03 0.16 -0.14 -0.69 1.20 0.00 0.00 173.24 173.74 3k3k s VAL 123 N -0.72 1.12 -0.06 4.45 1.01 -0.33 -1.46 120.40 124.41 3k3k s VAL 123 Ca 0.07 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.49 3k3k s VAL 123 Cb -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3k3k s VAL 123 CO 0.01 0.32 -0.15 -0.89 0.00 0.00 0.00 175.10 174.39 3k3k s THR 124 N -0.26 1.34 0.05 3.92 2.01 0.03 -0.88 115.64 121.85 3k3k s THR 124 Ca 0.04 -0.63 0.05 0.00 0.31 0.00 0.00 61.69 61.46 3k3k s THR 124 Cb -0.06 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 3k3k s THR 124 CO -0.00 0.39 -0.14 0.42 -0.69 0.00 0.00 174.62 174.60 3k3k s THR 125 N 0.31 1.14 -0.06 -0.82 -4.23 0.30 -1.02 115.64 111.26 3k3k s THR 125 Ca -0.09 -1.09 0.04 0.00 -1.18 0.00 0.00 61.69 59.36 3k3k s THR 125 Cb -0.14 -1.05 -0.02 0.00 1.34 0.00 0.00 72.50 72.63 3k3k s THR 125 CO 0.03 -0.04 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.21 3k3k s VAL 126 N -0.95 2.76 -0.02 2.29 1.01 -0.79 -1.10 120.40 123.59 3k3k s VAL 126 Ca 0.01 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3k3k s VAL 126 Cb -0.08 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 34.22 3k3k s VAL 126 CO 0.02 0.57 -0.08 -1.00 0.00 0.00 0.00 175.10 174.61 3k3k s HIS 127 N -0.40 0.83 -0.01 5.22 3.76 0.03 -4.81 115.29 119.91 3k3k s HIS 127 Ca 0.04 -0.18 -0.21 0.00 -0.15 0.00 0.00 55.06 54.56 3k3k s HIS 127 Cb -0.12 -0.57 -0.05 0.00 1.11 0.00 0.00 32.58 32.94 3k3k s HIS 127 CO 0.02 -0.06 0.61 0.50 -0.85 0.00 0.00 174.74 174.95 3k3k s ARG 128 N 0.06 4.34 0.06 1.40 3.52 -1.26 -1.57 118.95 125.49 3k3k s ARG 128 Ca -0.01 0.75 0.06 0.00 -0.13 0.00 0.00 55.73 56.40 3k3k s ARG 128 Cb -0.06 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.94 3k3k s ARG 128 CO 0.00 0.33 -0.17 -0.06 -0.81 0.00 0.00 175.30 174.59 3k3k s PHE 129 N -0.07 1.48 -0.02 5.12 0.08 0.39 -4.94 117.98 120.01 3k3k s PHE 129 Ca 0.32 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.98 3k3k s PHE 129 Cb -0.18 -0.86 0.03 0.00 -0.57 0.00 0.00 43.02 41.44 3k3k s PHE 129 CO 0.17 0.09 0.04 -1.21 -0.10 0.00 0.00 175.22 174.21 3k3k s GLU 130 N -1.39 -0.02 -0.04 0.44 2.02 -1.26 -1.36 118.70 117.09 3k3k s GLU 130 Ca 0.03 0.19 -0.02 0.00 0.02 0.00 0.00 54.97 55.19 3k3k s GLU 130 Cb -0.09 -0.22 0.03 0.00 0.10 0.00 0.00 34.13 33.96 3k3k s GLU 130 CO 0.02 -0.15 0.07 0.15 0.02 0.00 0.00 175.26 175.37 3k3k s LYS 131 N 0.97 -0.06 7.96 1.61 -0.14 -0.86 -5.02 119.74 124.19 3k3k s LYS 131 Ca -0.08 0.37 0.00 0.00 -1.36 0.00 0.00 55.97 54.90 3k3k s LYS 131 Cb -0.11 -0.46 0.00 0.00 -1.68 0.00 0.00 37.83 35.58 3k3k s LYS 131 CO -0.03 -0.31 0.00 0.39 -0.76 0.00 0.00 175.35 174.64 3k3k n GLU 132 N 5.16 0.00 -0.54 1.68 1.02 -1.26 -2.39 120.64 124.31 3k3k n GLU 132 Ca -0.06 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.16 3k3k n GLU 132 Cb 0.50 0.00 0.31 0.00 -0.02 0.00 0.00 31.44 32.23 3k3k n GLU 132 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3k3k n ASN 133 N 8.60 4.40 -4.27 1.62 3.02 -1.26 -4.96 115.26 122.41 3k3k n ASN 133 Ca 0.00 -2.54 -0.32 0.00 -0.03 0.00 0.00 54.58 51.69 3k3k n ASN 133 Cb 0.00 -0.53 -0.16 0.00 -0.61 0.00 0.00 39.78 38.48 3k3k n ASN 133 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3k3k s ARG 134 N -2.01 2.65 -0.10 3.52 1.81 -1.01 -5.12 118.95 118.69 3k3k s ARG 134 Ca 0.45 -0.89 -0.04 0.00 -1.72 0.00 0.00 55.73 53.54 3k3k s ARG 134 Cb 0.31 -2.20 -0.04 0.00 -0.45 0.00 0.00 34.95 32.57 3k3k s ARG 134 CO 0.19 0.35 0.05 0.42 -0.68 0.00 0.00 175.30 175.64 3k3k s ILE 135 N -0.09 4.75 0.30 1.52 1.01 -1.26 -2.02 121.20 125.41 3k3k s ILE 135 Ca -0.06 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 3k3k s ILE 135 Cb -0.14 -3.03 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 3k3k s ILE 135 CO 0.04 0.61 0.43 -1.66 0.00 0.00 0.00 174.94 174.36 3k3k s TRP 136 N -0.94 0.90 0.01 3.97 -2.14 -0.46 -4.65 118.94 115.62 3k3k s TRP 136 Ca 0.14 -1.16 0.09 0.00 2.66 0.00 0.00 56.10 57.83 3k3k s TRP 136 Cb -0.12 -0.08 -0.02 0.00 -3.10 0.00 0.00 33.47 30.15 3k3k s TRP 136 CO 0.03 -1.03 -0.26 0.99 -2.66 0.00 0.00 176.95 174.02 3k3k s THR 137 N -3.47 2.08 -0.13 0.66 2.01 -0.24 -0.47 115.64 116.08 3k3k s THR 137 Ca 0.30 -1.22 0.00 0.00 0.31 0.00 0.00 61.69 61.08 3k3k s THR 137 Cb 0.01 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 3k3k s THR 137 CO 0.16 0.49 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.75 3k3k s VAL 138 N -0.69 2.89 -0.15 3.82 1.01 -0.61 -0.54 120.40 126.14 3k3k s VAL 138 Ca 0.11 -0.72 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 3k3k s VAL 138 Cb -0.10 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3k3k s VAL 138 CO 0.00 0.53 0.04 -0.69 0.00 0.00 0.00 175.10 174.98 3k3k s VAL 139 N 0.39 4.64 -0.14 2.92 1.01 0.20 -0.79 120.40 128.63 3k3k s VAL 139 Ca -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 3k3k s VAL 139 Cb -0.16 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 3k3k s VAL 139 CO 0.06 0.51 -0.09 -0.76 0.00 0.00 0.00 175.10 174.82 3k3k s LEU 140 N -0.05 2.96 -0.06 3.92 1.43 -0.26 -0.85 118.68 125.76 3k3k s LEU 140 Ca 0.05 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3k3k s LEU 140 Cb -0.12 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.43 3k3k s LEU 140 CO 0.01 0.17 -0.09 -0.70 0.23 0.00 0.00 176.35 175.97 3k3k s GLU 141 N 0.33 1.36 0.17 1.70 2.12 -0.40 -0.54 118.70 123.45 3k3k s GLU 141 Ca -0.08 -0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.02 3k3k s GLU 141 Cb -0.15 -1.18 -0.04 0.00 0.26 0.00 0.00 34.13 33.01 3k3k s GLU 141 CO 0.04 -0.01 -0.13 -1.54 -0.54 0.00 0.00 175.26 173.08 3k3k s SER 142 N 0.74 2.23 0.08 -1.70 1.04 -0.06 -0.70 113.70 115.33 3k3k s SER 142 Ca -0.13 -0.98 -0.05 0.00 0.48 0.00 0.00 55.95 55.26 3k3k s SER 142 Cb -0.15 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 65.87 3k3k s SER 142 CO 0.02 -0.22 0.10 -0.72 0.98 0.00 0.00 173.24 173.41 3k3k s TYR 143 N -2.94 0.33 0.03 5.02 -0.85 -0.68 -1.19 117.35 117.08 3k3k s TYR 143 Ca 0.18 -0.80 0.05 0.00 -0.52 0.00 0.00 57.07 55.98 3k3k s TYR 143 Cb -0.00 -0.20 -0.02 0.00 0.38 0.00 0.00 41.96 42.11 3k3k s TYR 143 CO 0.04 -0.49 -0.14 0.54 -1.52 0.00 0.00 175.55 173.99 3k3k s VAL 144 N -3.89 1.08 0.07 -3.49 0.11 -0.28 -1.95 120.40 112.04 3k3k s VAL 144 Ca 0.07 -0.91 -0.17 0.00 -2.93 0.00 0.00 61.98 58.03 3k3k s VAL 144 Cb 0.06 -0.97 0.03 0.00 -1.53 0.00 0.00 36.38 33.98 3k3k s VAL 144 CO -0.10 0.05 0.40 0.54 -3.33 0.00 0.00 175.10 172.66 3k3k s VAL 145 N -0.76 0.06 0.02 2.04 0.11 -0.20 -1.20 120.40 120.48 3k3k s VAL 145 Ca 0.02 -0.51 -0.25 0.00 -2.93 0.00 0.00 61.98 58.31 3k3k s VAL 145 Cb -0.07 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.69 3k3k s VAL 145 CO 0.01 -0.28 0.75 -1.81 -3.33 0.00 0.00 175.10 170.44 3k3k s ASP 146 N -2.31 7.16 0.36 3.54 1.01 -0.70 -1.14 116.67 124.59 3k3k s ASP 146 Ca -0.02 1.39 -0.17 0.00 0.71 0.00 0.00 52.55 54.46 3k3k s ASP 146 Cb 0.00 -2.46 -0.10 0.00 1.01 0.00 0.00 42.92 41.38 3k3k s ASP 146 CO -0.06 -0.01 0.81 -0.04 0.21 0.00 0.00 175.17 176.08 3k3k s MET 147 N 0.12 4.09 0.03 8.23 -1.94 0.12 -4.53 119.30 125.42 3k3k s MET 147 Ca 0.38 0.84 -0.28 0.00 -1.71 0.00 0.00 55.69 54.92 3k3k s MET 147 Cb -0.20 -2.35 -0.16 0.00 2.01 0.00 0.00 34.83 34.14 3k3k s MET 147 CO 0.22 0.09 1.29 -1.35 -0.01 0.00 0.00 175.02 175.26 3k3k h PRO 148 N 2.14 -0.99 0.00 2.03 0.11 -1.88 -3.47 132.00 129.95 3k3k h PRO 148 Ca -0.48 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3k3k h PRO 148 Cb 1.18 0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.51 3k3k h PRO 148 CO 0.64 -0.66 0.00 0.39 -0.21 0.00 0.00 178.00 178.16 3k3k n GLU 149 N -5.09 0.73 0.06 1.05 -0.58 -1.26 -5.04 120.64 110.51 3k3k n GLU 149 Ca -0.13 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.56 3k3k n GLU 149 Cb 0.40 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.18 3k3k n GLU 149 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3k3k h GLY 150 N 0.00 0.00 1.19 0.62 0.00 -1.99 -3.00 103.07 99.89 3k3k h GLY 150 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 3k3k h GLY 150 CO 0.00 0.00 -1.56 3.45 0.00 0.00 0.00 176.54 178.43 3k3k h ASN 151 N 0.00 0.10 -0.37 0.19 7.08 -2.03 -3.32 115.58 117.24 3k3k h ASN 151 Ca -0.04 -0.18 0.00 0.00 -3.08 0.00 0.00 56.30 53.00 3k3k h ASN 151 Cb 1.72 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 37.93 3k3k h ASN 151 CO 0.11 1.15 0.00 -1.54 -2.08 0.00 0.00 177.43 175.07 3k3k n SER 152 N -3.21 2.00 -0.06 6.14 3.41 -1.25 -4.02 113.62 116.62 3k3k n SER 152 Ca -0.15 -1.98 -0.16 0.00 -0.26 0.00 0.00 58.87 56.32 3k3k n SER 152 Cb 1.03 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 64.68 3k3k n SER 152 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 3k3k h GLU 153 N 2.21 0.84 -0.05 4.33 -0.00 -1.63 -3.05 114.58 117.24 3k3k h GLU 153 Ca 0.00 -0.59 -0.04 0.00 -0.00 0.00 0.00 59.36 58.73 3k3k h GLU 153 Cb 0.50 0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.34 3k3k h GLU 153 CO 0.00 1.22 -0.14 -0.44 -0.00 0.00 0.00 179.01 179.65 3k3k h ASP 154 N 0.61 0.07 -0.02 3.06 3.32 -1.82 -1.41 116.42 120.23 3k3k h ASP 154 Ca -0.01 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 3k3k h ASP 154 Cb 1.25 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.79 3k3k h ASP 154 CO 0.14 0.22 -0.56 0.44 -1.72 0.00 0.00 179.24 177.76 3k3k h ASP 155 N 0.07 0.53 -0.19 6.45 3.32 -1.80 0.78 116.42 125.59 3k3k h ASP 155 Ca 0.02 -0.73 0.03 0.00 0.02 0.00 0.00 57.03 56.36 3k3k h ASP 155 Cb 0.29 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3k3k h ASP 155 CO 0.02 1.19 0.02 0.71 -1.72 0.00 0.00 179.24 179.46 3k3k h THR 156 N -0.08 0.90 -0.66 0.35 1.35 -1.39 0.13 112.91 113.50 3k3k h THR 156 Ca -0.06 -0.03 -0.04 0.00 -0.55 0.00 0.00 66.41 65.72 3k3k h THR 156 Cb 1.25 0.80 -0.03 0.00 -1.73 0.00 0.00 68.15 68.45 3k3k h THR 156 CO 0.11 0.02 0.25 -0.09 -0.25 0.00 0.00 175.52 175.56 3k3k h ARG 157 N 0.09 1.00 -0.57 4.72 2.43 -1.30 -0.85 114.38 119.90 3k3k h ARG 157 Ca 0.09 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 3k3k h ARG 157 Cb 0.09 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 3k3k h ARG 157 CO -0.13 0.85 0.31 1.98 -1.51 0.00 0.00 179.97 181.48 3k3k h MET 158 N 0.95 0.80 0.53 0.20 4.05 -0.57 0.12 114.93 121.01 3k3k h MET 158 Ca 0.22 -0.09 -0.03 0.00 -0.28 0.00 0.00 59.70 59.52 3k3k h MET 158 Cb 0.23 -0.16 0.01 0.00 -0.80 0.00 0.00 31.60 30.88 3k3k h MET 158 CO -0.01 0.61 -0.26 0.35 0.23 0.00 0.00 176.91 177.83 3k3k h PHE 159 N 0.77 -0.66 -0.99 1.39 3.57 -0.58 -1.93 116.94 118.51 3k3k h PHE 159 Ca 0.20 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3k3k h PHE 159 Cb 0.05 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 3k3k h PHE 159 CO -0.01 -0.33 0.65 0.00 -2.23 0.00 0.00 178.31 176.39 3k3k h ALA 160 N -0.70 1.33 -0.83 2.41 0.00 -1.14 -1.00 119.26 119.33 3k3k h ALA 160 Ca -0.07 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3k3k h ALA 160 Cb 0.62 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 3k3k h ALA 160 CO 0.12 0.60 0.55 -0.44 0.00 0.00 0.00 179.25 180.08 3k3k h ASP 161 N 1.30 0.89 -0.17 0.00 3.32 -0.76 -0.92 116.42 120.09 3k3k h ASP 161 Ca 0.38 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.38 3k3k h ASP 161 Cb -0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3k3k h ASP 161 CO -0.10 0.62 -0.02 0.74 -1.72 0.00 0.00 179.24 178.76 3k3k h THR 162 N 1.04 1.27 -0.19 0.35 2.02 -0.37 -1.19 112.91 115.84 3k3k h THR 162 Ca 0.33 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 3k3k h THR 162 Cb 0.01 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 3k3k h THR 162 CO -0.09 0.28 -0.01 0.58 0.37 0.00 0.00 175.52 176.64 3k3k h VAL 163 N 0.05 1.26 -0.06 3.16 2.07 -1.15 -1.59 116.25 119.99 3k3k h VAL 163 Ca 0.05 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3k3k h VAL 163 Cb 0.43 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3k3k h VAL 163 CO 0.01 0.27 0.04 0.58 0.02 0.00 0.00 177.57 178.49 3k3k h VAL 164 N 0.09 1.03 -0.52 2.57 2.07 -1.12 0.14 116.25 120.50 3k3k h VAL 164 Ca 0.05 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.60 3k3k h VAL 164 Cb 0.41 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3k3k h VAL 164 CO 0.01 0.02 0.11 0.50 0.02 0.00 0.00 177.57 178.24 3k3k h LYS 165 N 0.07 0.24 -0.73 1.57 3.64 -1.12 -0.75 116.57 119.48 3k3k h LYS 165 Ca 0.02 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3k3k h LYS 165 Cb 0.01 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3k3k h LYS 165 CO -0.00 0.16 0.31 -0.07 -2.27 0.00 0.00 179.45 177.58 3k3k h LEU 166 N 0.25 0.98 -0.74 5.20 3.38 -0.82 -1.74 115.31 121.82 3k3k h LEU 166 Ca 0.27 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 3k3k h LEU 166 Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3k3k h LEU 166 CO -0.34 0.87 -0.45 0.78 0.09 0.00 0.00 178.44 179.39 3k3k h ASN 167 N 1.03 0.43 0.09 -0.43 2.35 -0.24 -0.75 115.58 118.06 3k3k h ASN 167 Ca 0.25 -0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.67 3k3k h ASN 167 Cb 0.18 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3k3k h ASN 167 CO -0.02 0.83 -0.43 -0.07 -1.65 0.00 0.00 177.43 176.08 3k3k h LEU 168 N 0.33 0.46 -0.61 1.61 3.38 -0.91 0.56 115.31 120.13 3k3k h LEU 168 Ca 0.02 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 3k3k h LEU 168 Cb 0.93 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3k3k h LEU 168 CO 0.08 0.83 -0.52 -0.61 0.09 0.00 0.00 178.44 178.31 3k3k h GLN 169 N 0.35 0.48 -0.47 1.13 5.75 -0.96 -1.24 115.11 120.15 3k3k h GLN 169 Ca 0.03 -0.29 -0.11 0.00 -0.15 0.00 0.00 58.65 58.14 3k3k h GLN 169 Cb 0.90 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.46 3k3k h GLN 169 CO 0.08 0.88 -0.11 -0.22 -2.65 0.00 0.00 178.83 176.80 3k3k h LYS 170 N 0.37 0.92 -0.43 1.69 3.64 -0.78 -1.32 116.57 120.65 3k3k h LYS 170 Ca 0.01 -0.35 0.09 0.00 -1.27 0.00 0.00 60.65 59.13 3k3k h LYS 170 Cb 1.04 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.72 3k3k h LYS 170 CO 0.09 1.00 -0.16 1.25 -2.27 0.00 0.00 179.45 179.36 3k3k h LEU 171 N 0.76 -0.57 -0.14 5.20 5.85 -0.74 0.98 115.31 126.64 3k3k h LEU 171 Ca 0.12 0.15 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3k3k h LEU 171 Cb 0.67 0.33 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 3k3k h LEU 171 CO 0.05 -0.20 -0.06 0.00 -0.34 0.00 0.00 178.44 177.88 3k3k h ALA 172 N 1.29 0.06 -0.37 1.25 0.00 -0.97 -0.35 119.26 120.17 3k3k h ALA 172 Ca 0.21 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3k3k h ALA 172 Cb 0.39 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3k3k h ALA 172 CO -0.48 -0.51 0.24 1.15 0.00 0.00 0.00 179.25 179.65 3k3k h THR 173 N -0.05 1.09 -0.24 0.00 2.02 -0.85 -0.76 112.91 114.13 3k3k h THR 173 Ca 0.08 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 3k3k h THR 173 Cb 0.16 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 3k3k h THR 173 CO -0.18 0.09 0.00 0.58 0.37 0.00 0.00 175.52 176.39 3k3k h VAL 174 N 0.50 1.25 -0.25 3.16 2.07 -0.67 -0.68 116.25 121.62 3k3k h VAL 174 Ca 0.14 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 3k3k h VAL 174 Cb -0.06 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3k3k h VAL 174 CO -0.03 0.28 0.06 0.00 0.02 0.00 0.00 177.57 177.90 3k3k h ALA 175 N 0.81 0.33 -0.82 1.67 0.00 -0.98 -0.75 119.26 119.51 3k3k h ALA 175 Ca 0.07 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3k3k h ALA 175 Cb 0.40 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3k3k h ALA 175 CO 0.01 -0.02 0.51 0.93 0.00 0.00 0.00 179.25 180.68 3k3k h GLU 176 N 0.23 0.91 -0.32 0.00 5.08 -1.13 -1.28 114.58 118.07 3k3k h GLU 176 Ca 0.08 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 3k3k h GLU 176 Cb 0.28 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3k3k h GLU 176 CO 0.00 0.60 -0.23 0.00 -1.00 0.00 0.00 179.01 178.38 3k3k h ALA 177 N 1.38 0.99 -0.05 3.43 0.00 -0.90 -2.78 119.26 121.34 3k3k h ALA 177 Ca 0.35 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3k3k h ALA 177 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3k3k h ALA 177 CO -0.16 0.59 -0.54 0.52 0.00 0.00 0.00 179.25 179.66 3k3k h MET 178 N 0.55 0.14 -0.22 0.00 2.86 -0.80 -2.80 114.93 114.67 3k3k h MET 178 Ca 0.08 -0.09 -0.16 0.00 -2.06 0.00 0.00 59.70 57.47 3k3k h MET 178 Cb 0.69 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 3k3k h MET 178 CO 0.05 0.65 -0.52 0.00 1.06 0.00 0.00 176.91 178.15 3k3k h ALA 179 N 1.33 0.69 0.16 6.32 0.00 -1.12 -2.27 119.26 124.36 3k3k h ALA 179 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 3k3k h ALA 179 Cb 1.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3k3k h ALA 179 CO 0.08 0.68 -0.08 0.00 0.00 0.00 0.00 179.25 179.93 3k3k h ARG 180 N 0.48 -0.20 0.00 0.00 3.08 -1.48 -3.14 114.38 113.11 3k3k h ARG 180 Ca 0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3k3k h ARG 180 Cb 1.07 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3k3k h ARG 180 CO 0.10 0.13 0.00 -0.91 -1.07 0.00 0.00 179.97 178.22 3k3k h ASN 181 N -0.56 0.00 0.25 7.04 4.21 -1.53 -1.78 115.58 123.20 3k3k h ASN 181 Ca -0.02 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.23 3k3k h ASN 181 Cb 0.43 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.64 3k3k h ASN 181 CO 0.04 0.00 -1.05 -1.28 -1.29 0.00 0.00 177.43 173.84 3k3k h SER 182 N 0.00 0.68 0.20 5.81 0.87 -1.46 -3.38 113.55 116.27 3k3k h SER 182 Ca 0.00 -0.58 -0.01 0.00 -1.23 0.00 0.00 61.79 59.97 3k3k h SER 182 Cb 0.37 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 3k3k h SER 182 CO 0.00 1.38 -0.10 1.23 -0.53 0.00 0.00 176.83 178.82 3k3k h GLY 183 N 0.90 -0.28 -0.49 5.77 0.00 -1.34 -3.52 103.07 104.11 3k3k h GLY 183 Ca -0.12 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3k3k h GLY 183 CO 0.19 -0.10 0.00 1.22 0.00 0.00 0.00 176.54 177.85