#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k6k s LYS 15 N 0.00 2.85 0.17 1.09 1.02 -1.26 -5.02 119.74 118.58 3k6k s LYS 15 Ca 0.00 0.63 -0.25 0.00 0.02 0.00 0.00 55.97 56.37 3k6k s LYS 15 Cb 0.00 -2.01 -0.08 0.00 -0.52 0.00 0.00 37.83 35.22 3k6k s LYS 15 CO 0.00 -1.08 0.77 1.41 -0.92 0.00 0.00 175.35 175.53 3k6k s MET 16 N -5.23 4.55 0.14 1.68 1.75 -0.30 -5.02 119.30 116.87 3k6k s MET 16 Ca 0.58 1.14 -0.31 0.00 -1.25 0.00 0.00 55.69 55.85 3k6k s MET 16 Cb -0.12 -3.24 -0.11 0.00 2.84 0.00 0.00 34.83 34.20 3k6k s MET 16 CO 0.53 0.56 1.82 0.34 -0.65 0.00 0.00 175.02 177.62 3k6k s ASP 17 N -1.18 6.41 0.26 1.11 -1.08 -1.26 -4.72 116.67 116.21 3k6k s ASP 17 Ca 0.36 2.79 -0.02 0.00 -0.52 0.00 0.00 52.55 55.16 3k6k s ASP 17 Cb -0.23 -2.57 0.52 0.00 -1.46 0.00 0.00 42.92 39.18 3k6k s ASP 17 CO 0.26 -1.00 1.74 -0.65 0.52 0.00 0.00 175.17 176.03 3k6k h PRO 18 N 8.30 0.50 0.00 4.34 0.11 -1.93 1.08 132.00 144.40 3k6k h PRO 18 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3k6k h PRO 18 Cb 1.22 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3k6k h PRO 18 CO 0.95 0.33 -0.03 0.00 -0.21 0.00 0.00 178.00 179.04 3k6k h ARG 19 N 0.52 0.00 0.09 1.05 3.08 -1.90 -1.49 114.38 115.72 3k6k h ARG 19 Ca 0.45 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.50 3k6k h ARG 19 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3k6k h ARG 19 CO -0.40 0.03 -0.04 -0.44 -1.07 0.00 0.00 179.97 178.05 3k6k h ASP 20 N 0.00 -0.10 -0.89 7.04 3.32 0.81 -3.01 116.42 123.59 3k6k h ASP 20 Ca -0.00 -0.50 0.24 0.00 0.02 0.00 0.00 57.03 56.80 3k6k h ASP 20 Cb 0.13 0.03 -0.14 0.00 0.22 0.00 0.00 39.33 39.56 3k6k h ASP 20 CO 0.00 0.52 0.26 0.15 -1.72 0.00 0.00 179.24 178.46 3k6k h PHE 21 N -0.80 0.39 -0.49 4.55 -0.00 -0.91 0.44 116.94 120.11 3k6k h PHE 21 Ca -0.01 0.05 -0.03 0.00 -0.00 0.00 0.00 57.97 57.98 3k6k h PHE 21 Cb 0.59 -0.03 -0.02 0.00 -0.00 0.00 0.00 35.95 36.49 3k6k h PHE 21 CO 0.12 -0.21 0.19 -0.07 -0.00 0.00 0.00 178.31 178.34 3k6k h LEU 22 N 0.21 0.69 -0.09 0.59 3.38 -1.34 0.10 115.31 118.85 3k6k h LEU 22 Ca 0.57 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.40 3k6k h LEU 22 Cb 1.17 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3k6k h LEU 22 CO -0.66 0.67 -0.14 -0.61 0.09 0.00 0.00 178.44 177.79 3k6k h GLN 23 N 0.66 -0.19 -0.81 1.13 5.75 -0.84 0.11 115.11 120.92 3k6k h GLN 23 Ca 0.16 0.01 0.17 0.00 -0.15 0.00 0.00 58.65 58.85 3k6k h GLN 23 Cb 0.20 0.04 -0.15 0.00 1.07 0.00 0.00 27.48 28.64 3k6k h GLN 23 CO -0.01 -0.12 -0.16 1.25 -2.65 0.00 0.00 178.83 177.13 3k6k h LEU 24 N -0.19 -0.68 -0.50 -2.39 5.85 0.30 -0.89 115.31 116.80 3k6k h LEU 24 Ca 0.08 0.24 -0.16 0.00 0.84 0.00 0.00 57.88 58.87 3k6k h LEU 24 Cb 0.30 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3k6k h LEU 24 CO -0.20 -0.26 -0.73 -0.07 -0.34 0.00 0.00 178.44 176.84 3k6k h LEU 25 N 0.01 0.17 0.31 2.25 3.38 0.58 -2.80 115.31 119.21 3k6k h LEU 25 Ca 0.41 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.24 3k6k h LEU 25 Cb 0.65 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3k6k h LEU 25 CO -0.82 0.84 -0.15 0.50 0.09 0.00 0.00 178.44 178.90 3k6k h LYS 26 N 0.09 -0.40 -0.73 1.13 3.64 0.47 -0.31 116.57 120.46 3k6k h LYS 26 Ca -0.02 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.49 3k6k h LYS 26 Cb 1.29 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 33.15 3k6k h LYS 26 CO 0.11 -0.18 0.48 -0.84 -2.27 0.00 0.00 179.45 176.75 3k6k h ILE 27 N -0.55 0.92 -0.11 2.00 3.07 -1.28 0.15 117.51 121.71 3k6k h ILE 27 Ca -0.04 -0.21 -0.20 0.00 1.55 0.00 0.00 64.86 65.96 3k6k h ILE 27 Cb 0.41 0.26 -0.00 0.00 -0.27 0.00 0.00 36.82 37.21 3k6k h ILE 27 CO 0.07 0.11 -0.74 0.78 -1.05 0.00 0.00 178.15 177.32 3k6k h ASN 28 N 0.61 0.63 0.14 2.16 -0.26 -1.34 -3.30 115.58 114.22 3k6k h ASN 28 Ca 0.34 -0.41 -0.01 0.00 -0.56 0.00 0.00 56.30 55.66 3k6k h ASN 28 Cb 0.50 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 3k6k h ASN 28 CO -0.12 1.17 -0.07 0.00 -1.06 0.00 0.00 177.43 177.35 3k6k h ALA 29 N 0.82 -0.19 0.00 -0.83 0.00 -0.10 -3.10 119.26 115.86 3k6k h ALA 29 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3k6k h ALA 29 Cb 1.33 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3k6k h ALA 29 CO 0.14 -0.44 0.04 0.39 0.00 0.00 0.00 179.25 179.38 3k6k n GLU 30 N -5.02 0.00 -0.00 0.00 1.02 -0.05 -2.97 120.64 113.61 3k6k n GLU 30 Ca -0.09 0.26 -0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3k6k n GLU 30 Cb 0.22 -1.54 -0.00 0.00 -0.02 0.00 0.00 31.44 30.10 3k6k n GLU 30 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3k6k n LYS 31 N -1.23 2.66 -0.44 3.49 4.76 -1.19 -5.10 118.16 121.11 3k6k n LYS 31 Ca 0.00 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3k6k n LYS 31 Cb 0.04 -1.00 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 3k6k n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3k6k n ALA 32 N -1.83 0.00 -0.19 7.82 0.00 -1.16 -5.13 120.51 120.02 3k6k n ALA 32 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3k6k n ALA 32 Cb 0.33 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.05 3k6k n ALA 32 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3k6k n ASP 39 N -1.74 4.00 -0.97 0.00 4.64 -1.26 -5.14 116.55 116.09 3k6k n ASP 39 Ca 0.00 -2.54 0.01 0.00 -1.38 0.00 0.00 54.79 50.88 3k6k n ASP 39 Cb 0.00 -0.58 0.11 0.00 -1.04 0.00 0.00 41.12 39.60 3k6k n ASP 39 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3k6k n GLN 40 N 0.51 2.01 0.04 -0.67 1.13 -1.26 -2.91 117.38 116.23 3k6k n GLN 40 Ca 0.19 -0.90 0.06 0.00 -1.94 0.00 0.00 57.00 54.41 3k6k n GLN 40 Cb 0.83 -1.66 0.28 0.00 0.11 0.00 0.00 30.24 29.79 3k6k n GLN 40 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3k6k n LYS 41 N 0.16 0.05 -0.12 -1.09 5.02 -1.26 -2.53 118.16 118.39 3k6k n LYS 41 Ca 0.09 0.41 -0.12 0.00 -2.02 0.00 0.00 58.31 56.67 3k6k n LYS 41 Cb 0.57 -1.62 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 3k6k n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3k6k h ARG 42 N 0.00 0.82 -0.15 1.97 3.08 -1.93 -1.16 114.38 117.01 3k6k h ARG 42 Ca 0.00 -0.39 -0.22 0.00 0.07 0.00 0.00 59.98 59.44 3k6k h ARG 42 Cb 0.16 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.21 3k6k h ARG 42 CO 0.00 1.03 -0.76 0.00 -1.07 0.00 0.00 179.97 179.17 3k6k h ALA 43 N 0.78 0.36 -0.41 0.04 0.00 -1.77 0.16 119.26 118.42 3k6k h ALA 43 Ca 0.07 -0.59 0.09 0.00 0.00 0.00 0.00 54.91 54.47 3k6k h ALA 43 Cb 0.83 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.51 3k6k h ALA 43 CO 0.07 0.69 -0.18 0.78 0.00 0.00 0.00 179.25 180.62 3k6k h GLY 44 N 0.67 0.15 0.56 0.00 0.00 -1.54 -0.86 103.07 102.05 3k6k h GLY 44 Ca -0.04 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3k6k h GLY 44 CO 0.15 -0.19 -0.47 1.98 0.00 0.00 0.00 176.54 178.01 3k6k h MET 45 N -0.09 -0.93 -0.81 4.80 -1.53 -0.94 -1.99 114.93 113.44 3k6k h MET 45 Ca 0.20 0.06 0.12 0.00 -3.44 0.00 0.00 59.70 56.64 3k6k h MET 45 Cb 0.40 0.21 -0.06 0.00 -0.55 0.00 0.00 31.60 31.61 3k6k h MET 45 CO -0.47 -0.62 0.53 0.93 0.14 0.00 0.00 176.91 177.42 3k6k h GLU 46 N -0.96 0.64 0.20 0.39 4.39 -0.49 -0.55 114.58 118.19 3k6k h GLU 46 Ca -0.06 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3k6k h GLU 46 Cb 0.84 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3k6k h GLU 46 CO -0.05 0.42 -0.09 0.00 -1.16 0.00 0.00 179.01 178.12 3k6k h ALA 47 N 1.61 -0.26 0.00 3.43 0.00 -0.88 -1.46 119.26 121.69 3k6k h ALA 47 Ca 0.39 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3k6k h ALA 47 Cb 0.60 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3k6k h ALA 47 CO -0.15 -0.35 -0.01 1.25 0.00 0.00 0.00 179.25 179.99 3k6k h LEU 48 N -0.87 0.00 0.11 0.00 5.85 -1.20 -2.44 115.31 116.76 3k6k h LEU 48 Ca -0.03 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.40 3k6k h LEU 48 Cb 0.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3k6k h LEU 48 CO 0.04 0.01 -1.42 0.00 -0.34 0.00 0.00 178.44 176.73 3k6k h GLU 50 N 0.06 0.00 0.00 0.00 4.11 -0.81 -2.59 114.58 115.35 3k6k h GLU 50 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.23 3k6k h GLU 50 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 3k6k h GLU 50 CO 0.17 0.00 0.00 -2.13 0.07 0.00 0.00 179.01 177.12 3k6k n ARG 51 N -3.30 0.11 -4.62 1.06 3.00 -1.04 -4.85 116.66 107.02 3k6k n ARG 51 Ca -0.03 0.14 -0.33 0.00 -0.00 0.00 0.00 57.85 57.62 3k6k n ARG 51 Cb 0.09 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 30.92 3k6k n ARG 51 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3k6k s PHE 52 N -2.32 2.91 0.22 -0.14 0.08 -0.98 -5.06 117.98 112.68 3k6k s PHE 52 Ca 0.06 -0.23 -0.32 0.00 0.12 0.00 0.00 56.93 56.56 3k6k s PHE 52 Cb 0.03 -1.80 -0.12 0.00 -0.57 0.00 0.00 43.02 40.56 3k6k s PHE 52 CO 0.07 0.09 1.64 -0.35 -0.10 0.00 0.00 175.22 176.57 3k6k n PRO 53 N 2.89 2.56 -2.86 0.24 -0.04 -1.26 -4.77 135.00 131.77 3k6k n PRO 53 Ca -0.18 0.92 -0.27 0.00 -0.04 0.00 0.00 63.50 63.93 3k6k n PRO 53 Cb 0.53 -2.72 -0.01 0.00 -0.04 0.00 0.00 33.50 31.26 3k6k n PRO 53 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3k6k s ARG 54 N 0.61 3.56 -0.20 0.54 0.52 -1.26 -4.50 118.95 118.23 3k6k s ARG 54 Ca 0.73 0.11 -0.29 0.00 -0.52 0.00 0.00 55.73 55.76 3k6k s ARG 54 Cb -0.55 -2.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.46 3k6k s ARG 54 CO 0.38 -0.09 1.22 0.00 0.02 0.00 0.00 175.30 176.83 3k6k s ALA 55 N -2.57 3.63 0.30 2.13 0.00 -1.26 -4.97 121.76 119.03 3k6k s ALA 55 Ca 0.46 0.35 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 3k6k s ALA 55 Cb -0.10 -3.62 -0.11 0.00 0.00 0.00 0.00 23.12 19.28 3k6k s ALA 55 CO 0.41 -1.22 1.54 -2.00 0.00 0.00 0.00 175.76 174.48 3k6k s GLU 56 N 3.51 4.16 0.00 0.00 -6.30 -1.26 -2.81 118.70 116.00 3k6k s GLU 56 Ca 0.52 2.51 0.00 0.00 -2.50 0.00 0.00 54.97 55.51 3k6k s GLU 56 Cb -0.19 -3.03 0.00 0.00 0.00 0.00 0.00 34.13 30.90 3k6k s GLU 56 CO 0.14 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.27 3k6k n GLY 57 N 1.85 0.84 3.77 -1.50 0.00 -1.26 -5.06 105.19 103.84 3k6k n GLY 57 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3k6k n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k6k s VAL 58 N -2.35 5.36 -0.17 1.61 -7.23 -1.12 -4.16 120.40 112.34 3k6k s VAL 58 Ca 0.00 0.38 -0.16 0.00 -1.81 0.00 0.00 61.98 60.39 3k6k s VAL 58 Cb 0.00 -3.53 -0.04 0.00 0.56 0.00 0.00 36.38 33.37 3k6k s VAL 58 CO 0.00 0.48 0.39 -1.61 -0.31 0.00 0.00 175.10 174.04 3k6k s GLU 59 N -0.07 4.24 -0.03 4.82 2.02 0.73 -4.90 118.70 125.51 3k6k s GLU 59 Ca 0.14 0.23 -0.20 0.00 0.02 0.00 0.00 54.97 55.16 3k6k s GLU 59 Cb -0.12 -3.48 -0.05 0.00 0.10 0.00 0.00 34.13 30.58 3k6k s GLU 59 CO 0.03 0.09 0.57 -0.51 0.02 0.00 0.00 175.26 175.46 3k6k s LEU 60 N 0.90 4.38 -0.05 1.80 1.43 -1.26 -3.27 118.68 122.61 3k6k s LEU 60 Ca 0.20 1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 54.38 3k6k s LEU 60 Cb -0.14 -2.88 0.03 0.00 0.03 0.00 0.00 46.19 43.23 3k6k s LEU 60 CO 0.07 0.07 0.02 -0.89 0.23 0.00 0.00 176.35 175.86 3k6k s THR 61 N 0.01 0.17 -0.27 5.49 2.01 -0.19 -4.97 115.64 117.89 3k6k s THR 61 Ca 0.30 0.21 -0.25 0.00 0.31 0.00 0.00 61.69 62.27 3k6k s THR 61 Cb -0.18 -0.34 -0.00 0.00 0.01 0.00 0.00 72.50 71.99 3k6k s THR 61 CO 0.16 0.20 0.84 -0.76 -0.69 0.00 0.00 174.62 174.37 3k6k s LEU 62 N 1.77 4.07 0.00 4.42 1.43 -1.26 -0.49 118.68 128.62 3k6k s LEU 62 Ca 0.01 0.94 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 3k6k s LEU 62 Cb -0.13 -3.19 0.00 0.00 0.03 0.00 0.00 46.19 42.91 3k6k s LEU 62 CO -0.03 -0.57 0.00 1.07 0.23 0.00 0.00 176.35 177.04 3k6k n THR 63 N 5.38 0.00 -3.89 5.49 5.66 -1.00 -5.00 114.28 120.91 3k6k n THR 63 Ca 0.06 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.96 3k6k n THR 63 Cb 0.48 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.19 3k6k n THR 63 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3k6k s ASP 64 N 1.53 0.01 -0.11 1.09 -4.77 -1.26 -1.86 116.67 111.29 3k6k s ASP 64 Ca 0.00 -0.74 0.01 0.00 -3.30 0.00 0.00 52.55 48.51 3k6k s ASP 64 Cb 0.00 0.43 0.02 0.00 -1.09 0.00 0.00 42.92 42.28 3k6k s ASP 64 CO 0.00 -0.87 -0.11 -0.76 0.70 0.00 0.00 175.17 174.12 3k6k s LEU 65 N -2.92 1.50 -1.29 2.11 1.43 0.17 -4.80 118.68 114.87 3k6k s LEU 65 Ca 0.13 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3k6k s LEU 65 Cb 0.03 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.30 3k6k s LEU 65 CO -0.03 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.11 3k6k n GLY 66 N 4.48 -0.43 0.46 -3.19 0.00 -1.26 -0.55 105.19 104.69 3k6k n GLY 66 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3k6k n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6k n GLY 67 N -0.85 0.51 3.58 -0.02 0.00 -1.26 -4.74 105.19 102.40 3k6k n GLY 67 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3k6k n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k6k s VAL 68 N -2.21 4.16 0.33 1.61 1.01 0.28 -5.09 120.40 120.49 3k6k s VAL 68 Ca 0.00 -0.28 -0.29 0.00 0.00 0.00 0.00 61.98 61.42 3k6k s VAL 68 Cb 0.00 -2.81 -0.10 0.00 0.00 0.00 0.00 36.38 33.47 3k6k s VAL 68 CO 0.00 0.52 1.31 -2.84 0.00 0.00 0.00 175.10 174.09 3k6k s PRO 69 N -0.04 4.35 0.20 2.72 0.02 -1.26 -0.65 135.00 140.34 3k6k s PRO 69 Ca 0.03 2.22 -0.02 0.00 0.02 0.00 0.00 61.00 63.24 3k6k s PRO 69 Cb -0.13 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 3k6k s PRO 69 CO 0.02 -0.19 0.17 0.00 -0.33 0.00 0.00 177.00 176.67 3k6k s ILE 71 N -4.14 3.46 0.15 0.00 1.01 -0.70 -2.38 121.20 118.61 3k6k s ILE 71 Ca 0.36 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.88 3k6k s ILE 71 Cb 0.06 -2.78 -0.07 0.00 0.01 0.00 0.00 42.46 39.69 3k6k s ILE 71 CO 0.11 0.14 0.92 -0.60 0.00 0.00 0.00 174.94 175.51 3k6k s ARG 72 N 1.42 4.72 -0.03 2.79 3.52 0.36 -0.45 118.95 131.28 3k6k s ARG 72 Ca 0.01 1.41 0.00 0.00 -0.13 0.00 0.00 55.73 57.02 3k6k s ARG 72 Cb -0.17 -3.34 0.03 0.00 -1.56 0.00 0.00 34.95 29.91 3k6k s ARG 72 CO -0.01 0.33 0.00 -0.65 -0.81 0.00 0.00 175.30 174.17 3k6k s GLN 73 N -0.42 0.31 0.09 5.12 -0.21 0.54 -1.02 119.66 124.08 3k6k s GLN 73 Ca 0.44 0.08 -0.25 0.00 0.02 0.00 0.00 55.36 55.64 3k6k s GLN 73 Cb -0.24 -0.50 0.07 0.00 1.00 0.00 0.00 33.01 33.34 3k6k s GLN 73 CO 0.30 -0.14 0.62 0.00 -2.12 0.00 0.00 175.29 173.95 3k6k s ALA 74 N 1.05 -1.63 0.64 6.09 0.00 -1.20 -0.05 121.76 126.65 3k6k s ALA 74 Ca -0.09 0.73 -0.05 0.00 0.00 0.00 0.00 51.96 52.55 3k6k s ALA 74 Cb -0.14 0.61 0.04 0.00 0.00 0.00 0.00 23.12 23.63 3k6k s ALA 74 CO -0.02 -0.64 0.94 0.95 0.00 0.00 0.00 175.76 176.99 3k6k s THR 75 N -2.96 2.78 0.02 0.00 -4.23 -1.26 -0.19 115.64 109.79 3k6k s THR 75 Ca -0.03 -0.26 -0.30 0.00 -1.18 0.00 0.00 61.69 59.93 3k6k s THR 75 Cb -0.01 -3.15 -0.08 0.00 1.34 0.00 0.00 72.50 70.61 3k6k s THR 75 CO -0.06 -0.14 1.80 -1.81 -0.54 0.00 0.00 174.62 173.87 3k6k s ASP 76 N -4.43 6.55 -0.91 3.99 -0.00 -1.26 -2.61 116.67 117.98 3k6k s ASP 76 Ca 0.58 2.50 -0.04 0.00 -0.00 0.00 0.00 52.55 55.59 3k6k s ASP 76 Cb -0.11 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.28 3k6k s ASP 76 CO 0.44 -0.98 0.79 0.61 -0.00 0.00 0.00 175.17 176.02 3k6k n GLY 77 N 4.30 -0.12 3.42 0.21 0.00 -1.26 -5.05 105.19 106.70 3k6k n GLY 77 Ca 0.18 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3k6k n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6k n ALA 78 N -3.84 -2.94 -1.85 4.61 0.00 -1.07 -5.06 120.51 110.35 3k6k n ALA 78 Ca -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.38 3k6k n ALA 78 Cb 0.57 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3k6k n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k6k n GLY 79 N 1.37 1.76 0.04 0.00 0.00 0.18 -5.01 105.19 103.53 3k6k n GLY 79 Ca 0.05 -1.84 0.14 0.00 0.00 0.00 0.00 46.02 44.37 3k6k n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k6k n ALA 80 N -3.00 2.61 -2.30 4.61 0.00 -1.26 -4.72 120.51 116.45 3k6k n ALA 80 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 53.44 52.90 3k6k n ALA 80 Cb 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.97 3k6k n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k6k s ALA 81 N -2.61 3.52 0.08 0.00 0.00 -1.26 -4.95 121.76 116.54 3k6k s ALA 81 Ca 0.26 -0.08 0.10 0.00 0.00 0.00 0.00 51.96 52.24 3k6k s ALA 81 Cb 0.20 -2.59 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 3k6k s ALA 81 CO 0.49 0.43 -0.25 -1.01 0.00 0.00 0.00 175.76 175.41 3k6k s HIS 82 N -1.58 2.21 -0.18 0.00 0.09 -0.45 0.09 115.29 115.48 3k6k s HIS 82 Ca 0.42 -0.40 0.01 0.00 -0.00 0.00 0.00 55.06 55.09 3k6k s HIS 82 Cb -0.14 -1.27 0.03 0.00 -0.00 0.00 0.00 32.58 31.20 3k6k s HIS 82 CO 0.20 0.21 -0.16 0.42 -0.00 0.00 0.00 174.74 175.40 3k6k s ILE 83 N -0.93 1.89 -0.48 0.60 1.01 -0.61 -1.41 121.20 121.27 3k6k s ILE 83 Ca 0.12 -0.94 -0.22 0.00 0.00 0.00 0.00 60.65 59.60 3k6k s ILE 83 Cb -0.10 -1.79 0.04 0.00 0.01 0.00 0.00 42.46 40.62 3k6k s ILE 83 CO 0.04 0.41 0.74 -0.22 0.00 0.00 0.00 174.94 175.91 3k6k s LEU 84 N 1.33 4.45 -0.17 2.97 2.96 -0.41 -0.19 118.68 129.61 3k6k s LEU 84 Ca 0.03 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.45 3k6k s LEU 84 Cb -0.14 -2.75 -0.05 0.00 0.50 0.00 0.00 46.19 43.75 3k6k s LEU 84 CO -0.11 -0.94 0.12 -0.47 -1.32 0.00 0.00 176.35 173.63 3k6k s TYR 85 N 3.16 3.43 -0.25 5.38 6.14 -0.36 -0.78 117.35 134.07 3k6k s TYR 85 Ca 0.25 0.34 -0.03 0.00 0.64 0.00 0.00 57.07 58.26 3k6k s TYR 85 Cb -0.14 -2.08 0.01 0.00 0.42 0.00 0.00 41.96 40.17 3k6k s TYR 85 CO 0.19 0.39 -0.02 -0.06 0.64 0.00 0.00 175.55 176.68 3k6k s PHE 86 N -0.02 3.06 0.79 4.97 0.08 0.77 -1.51 117.98 126.12 3k6k s PHE 86 Ca 0.09 -1.28 -0.11 0.00 0.12 0.00 0.00 56.93 55.75 3k6k s PHE 86 Cb -0.11 -2.11 0.07 0.00 -0.57 0.00 0.00 43.02 40.29 3k6k s PHE 86 CO -0.00 -0.65 1.09 -3.38 -0.10 0.00 0.00 175.22 172.17 3k6k s HIS 87 N 1.40 2.60 0.00 0.36 -3.43 -1.26 -2.86 115.29 112.09 3k6k s HIS 87 Ca 0.02 1.47 0.00 0.00 -0.80 0.00 0.00 55.06 55.75 3k6k s HIS 87 Cb -0.16 -3.05 0.00 0.00 -1.43 0.00 0.00 32.58 27.94 3k6k s HIS 87 CO -0.03 -1.85 0.00 0.41 -2.00 0.00 0.00 174.74 171.28 3k6k n GLY 88 N -1.32 1.07 0.00 -1.38 0.00 -1.12 -3.05 105.19 99.39 3k6k n GLY 88 Ca 0.08 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3k6k n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6k n GLY 89 N 5.00 1.90 2.30 -0.02 0.00 -1.26 -4.32 105.19 108.79 3k6k n GLY 89 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3k6k n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6k n GLY 90 N -0.28 0.44 3.75 -0.02 0.00 -1.26 -1.69 105.19 106.13 3k6k n GLY 90 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3k6k n GLY 90 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k6k n TYR 91 N -3.47 0.00 -0.26 1.61 4.02 -1.26 -4.72 117.16 113.08 3k6k n TYR 91 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.74 3k6k n TYR 91 Cb 0.55 -1.00 0.00 0.00 -0.02 0.00 0.00 39.34 38.86 3k6k n TYR 91 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29 3k6k n ILE 92 N -2.00 0.00 -3.89 -0.72 -5.35 -1.02 -0.87 119.36 105.50 3k6k n ILE 92 Ca 0.00 -0.32 -0.09 0.00 -0.27 0.00 0.00 62.75 62.07 3k6k n ILE 92 Cb 0.00 1.26 -0.04 0.00 -1.74 0.00 0.00 39.64 39.12 3k6k n ILE 92 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3k6k s SER 93 N -0.17 -0.16 0.00 7.28 1.04 -0.68 -4.74 113.70 116.28 3k6k s SER 93 Ca 0.00 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.69 3k6k s SER 93 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3k6k s SER 93 CO 0.00 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.71 3k6k n GLY 94 N -0.37 -0.76 3.74 7.32 0.00 -1.26 -4.00 105.19 109.87 3k6k n GLY 94 Ca -0.05 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.20 3k6k n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k6k s SER 95 N -2.48 -0.29 0.42 1.61 1.04 -1.26 -4.99 113.70 107.74 3k6k s SER 95 Ca 0.00 -0.41 0.17 0.00 0.48 0.00 0.00 55.95 56.19 3k6k s SER 95 Cb 0.00 0.61 1.08 0.00 0.10 0.00 0.00 66.02 67.81 3k6k s SER 95 CO 0.00 -1.11 1.85 -0.65 0.98 0.00 0.00 173.24 174.31 3k6k h PRO 96 N 2.00 0.40 0.14 4.02 0.11 -1.82 -3.07 132.00 133.77 3k6k h PRO 96 Ca -0.23 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3k6k h PRO 96 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3k6k h PRO 96 CO 0.27 0.27 -0.07 0.77 -0.21 0.00 0.00 178.00 179.02 3k6k h SER 97 N 0.41 -0.16 -0.60 -2.05 0.02 -1.94 -2.73 113.55 106.50 3k6k h SER 97 Ca 0.47 -0.14 0.17 0.00 -0.84 0.00 0.00 61.79 61.46 3k6k h SER 97 Cb 1.17 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.73 3k6k h SER 97 CO -0.18 0.05 0.48 0.71 -1.14 0.00 0.00 176.83 176.74 3k6k h THR 98 N -0.37 0.56 -0.47 -2.27 1.35 -1.90 -2.79 112.91 107.02 3k6k h THR 98 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 3k6k h THR 98 Cb 0.29 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.36 3k6k h THR 98 CO 0.03 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.71 3k6k n HIS 99 N -4.13 1.38 0.26 4.73 8.25 -1.04 -4.47 115.22 120.21 3k6k n HIS 99 Ca 0.12 -0.72 0.15 0.00 -0.26 0.00 0.00 57.72 57.00 3k6k n HIS 99 Cb 0.72 -0.32 0.63 0.00 1.12 0.00 0.00 29.99 32.14 3k6k n HIS 99 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3k6k h LEU 100 N 3.13 0.00 -0.33 2.41 3.38 -1.39 -0.37 115.31 122.14 3k6k h LEU 100 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3k6k h LEU 100 Cb 1.53 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.25 3k6k h LEU 100 CO 0.28 0.09 0.12 -0.37 0.09 0.00 0.00 178.44 178.65 3k6k h VAL 101 N 0.00 0.92 0.05 1.22 -1.51 -1.79 -1.88 116.25 113.26 3k6k h VAL 101 Ca -0.00 -0.09 -0.00 0.00 -1.23 0.00 0.00 66.70 65.37 3k6k h VAL 101 Cb 0.55 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 3k6k h VAL 101 CO 0.01 0.05 -0.02 0.25 -1.23 0.00 0.00 177.57 176.63 3k6k h LEU 102 N 0.27 -0.05 -1.99 4.19 5.85 -1.77 -3.30 115.31 118.50 3k6k h LEU 102 Ca 0.15 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 3k6k h LEU 102 Cb 0.11 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3k6k h LEU 102 CO -0.14 0.63 -0.05 0.71 -0.34 0.00 0.00 178.44 179.25 3k6k h THR 103 N -0.98 0.20 0.00 1.05 1.35 -1.07 -1.94 112.91 111.52 3k6k h THR 103 Ca -0.01 -0.42 -0.20 0.00 -0.55 0.00 0.00 66.41 65.23 3k6k h THR 103 Cb 0.47 1.34 -0.03 0.00 -1.73 0.00 0.00 68.15 68.20 3k6k h THR 103 CO 0.01 0.05 -0.97 0.71 -0.25 0.00 0.00 175.52 175.07 3k6k h THR 104 N 0.00 1.69 -0.63 6.82 1.35 -1.48 -2.17 112.91 118.48 3k6k h THR 104 Ca -0.00 -3.31 -0.01 0.00 -0.55 0.00 0.00 66.41 62.54 3k6k h THR 104 Cb 0.33 2.79 -0.03 0.00 -1.73 0.00 0.00 68.15 69.51 3k6k h THR 104 CO 0.01 0.95 0.37 1.56 -0.25 0.00 0.00 175.52 178.16 3k6k h GLN 105 N 0.00 0.87 -0.21 4.72 1.08 -1.44 0.58 115.11 120.71 3k6k h GLN 105 Ca -0.01 -0.09 0.01 0.00 -1.45 0.00 0.00 58.65 57.11 3k6k h GLN 105 Cb 1.71 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.95 3k6k h GLN 105 CO 0.13 0.63 0.11 -0.07 -0.95 0.00 0.00 178.83 178.68 3k6k h LEU 106 N 0.86 0.18 -0.11 1.46 3.38 -1.43 0.16 115.31 119.81 3k6k h LEU 106 Ca 0.23 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.21 3k6k h LEU 106 Cb -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3k6k h LEU 106 CO -0.04 0.13 0.04 0.00 0.09 0.00 0.00 178.44 178.66 3k6k h ALA 107 N 1.10 0.12 -0.25 1.53 0.00 -1.27 -1.83 119.26 118.67 3k6k h ALA 107 Ca 0.08 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3k6k h ALA 107 Cb 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 3k6k h ALA 107 CO -0.05 -0.42 -0.27 -0.22 0.00 0.00 0.00 179.25 178.29 3k6k h LYS 108 N 0.09 -0.27 0.00 0.00 1.63 -0.40 -2.66 116.57 114.96 3k6k h LYS 108 Ca 0.05 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.80 3k6k h LYS 108 Cb 0.02 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 3k6k h LYS 108 CO -0.05 -0.18 -0.41 1.96 -3.45 0.00 0.00 179.45 177.32 3k6k h GLN 109 N -0.28 0.00 0.00 1.90 1.08 -0.55 -3.31 115.11 113.95 3k6k h GLN 109 Ca 0.14 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3k6k h GLN 109 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3k6k h GLN 109 CO -0.41 0.28 -1.10 -1.13 -0.95 0.00 0.00 178.83 175.52 3k6k n SER 110 N -3.13 0.80 -3.06 1.46 3.41 -0.70 -4.88 113.62 107.53 3k6k n SER 110 Ca 0.02 -0.75 -0.20 0.00 -0.26 0.00 0.00 58.87 57.68 3k6k n SER 110 Cb 0.66 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.67 3k6k n SER 110 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3k6k n SER 111 N -1.64 -4.09 -4.95 4.04 7.64 -1.01 -4.89 113.62 108.72 3k6k n SER 111 Ca 0.03 -0.21 -0.19 0.00 1.01 0.00 0.00 58.87 59.51 3k6k n SER 111 Cb 0.37 -3.39 -0.01 0.00 -1.01 0.00 0.00 64.21 60.17 3k6k n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3k6k s ALA 112 N -2.87 4.34 -0.34 -0.43 0.00 -1.25 -0.65 121.76 120.54 3k6k s ALA 112 Ca 0.27 -1.76 -0.13 0.00 0.00 0.00 0.00 51.96 50.35 3k6k s ALA 112 Cb -0.14 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 3k6k s ALA 112 CO 0.34 -0.26 0.24 0.99 0.00 0.00 0.00 175.76 177.07 3k6k s THR 113 N -2.40 5.21 -0.17 0.00 2.01 0.11 -4.66 115.64 115.75 3k6k s THR 113 Ca 0.52 -0.29 -0.08 0.00 0.31 0.00 0.00 61.69 62.15 3k6k s THR 113 Cb -0.07 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3k6k s THR 113 CO 0.31 -0.04 0.10 -0.22 -0.69 0.00 0.00 174.62 174.09 3k6k s LEU 114 N 1.71 4.09 -0.39 4.42 0.20 0.93 -1.58 118.68 128.07 3k6k s LEU 114 Ca 0.06 0.24 -0.07 0.00 0.69 0.00 0.00 54.13 55.05 3k6k s LEU 114 Cb -0.18 -2.03 0.07 0.00 -0.43 0.00 0.00 46.19 43.63 3k6k s LEU 114 CO 0.10 0.25 0.20 0.26 -0.29 0.00 0.00 176.35 176.87 3k6k s TRP 115 N -0.07 3.35 -0.49 5.38 0.52 0.73 -0.34 118.94 128.01 3k6k s TRP 115 Ca 0.09 -1.65 -0.21 0.00 0.02 0.00 0.00 56.10 54.34 3k6k s TRP 115 Cb -0.12 -2.78 0.04 0.00 -1.15 0.00 0.00 33.47 29.47 3k6k s TRP 115 CO 0.00 -0.83 0.74 0.45 0.02 0.00 0.00 176.95 177.33 3k6k s SER 116 N 1.84 6.30 -0.03 2.95 0.15 0.41 -1.22 113.70 124.11 3k6k s SER 116 Ca 0.02 -0.52 -0.27 0.00 0.70 0.00 0.00 55.95 55.88 3k6k s SER 116 Cb -0.22 -2.35 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 3k6k s SER 116 CO 0.01 -0.96 0.86 -0.22 1.20 0.00 0.00 173.24 174.13 3k6k s LEU 117 N 3.12 4.35 -1.13 3.45 2.96 -0.57 -1.71 118.68 129.15 3k6k s LEU 117 Ca 0.23 1.46 -0.15 0.00 -0.22 0.00 0.00 54.13 55.44 3k6k s LEU 117 Cb -0.15 -3.36 0.16 0.00 0.50 0.00 0.00 46.19 43.34 3k6k s LEU 117 CO 0.17 -0.19 1.34 -0.62 -1.32 0.00 0.00 176.35 175.73 3k6k s ASP 118 N 0.90 6.94 0.34 3.68 -1.08 0.14 -4.54 116.67 123.05 3k6k s ASP 118 Ca 0.46 -2.72 -0.15 0.00 -0.52 0.00 0.00 52.55 49.62 3k6k s ASP 118 Cb -0.20 -2.40 -0.09 0.00 -1.46 0.00 0.00 42.92 38.78 3k6k s ASP 118 CO 0.24 -0.84 0.76 -0.72 0.52 0.00 0.00 175.17 175.13 3k6k s TYR 119 N 1.89 3.38 0.32 -5.34 -0.85 -1.26 -4.40 117.35 111.10 3k6k s TYR 119 Ca 0.40 1.24 -0.29 0.00 -0.52 0.00 0.00 57.07 57.89 3k6k s TYR 119 Cb -0.03 -2.56 -0.11 0.00 0.38 0.00 0.00 41.96 39.63 3k6k s TYR 119 CO -0.03 0.05 1.55 0.54 -1.52 0.00 0.00 175.55 176.14 3k6k n ARG 120 N -0.51 2.67 -3.05 -3.49 1.74 -1.26 -4.98 116.66 107.78 3k6k n ARG 120 Ca 0.04 0.94 -0.26 0.00 -0.77 0.00 0.00 57.85 57.80 3k6k n ARG 120 Cb 0.53 -2.70 -0.01 0.00 -1.02 0.00 0.00 32.46 29.26 3k6k n ARG 120 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3k6k s LEU 121 N -1.02 3.85 0.26 0.55 1.43 -1.26 -3.96 118.68 118.53 3k6k s LEU 121 Ca 0.60 0.69 0.06 0.00 -1.03 0.00 0.00 54.13 54.45 3k6k s LEU 121 Cb -0.49 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.11 3k6k s LEU 121 CO 0.54 -0.41 0.32 0.00 0.23 0.00 0.00 176.35 177.03 3k6k s ALA 122 N -2.47 3.86 -2.31 4.21 0.00 -0.05 -1.25 121.76 123.73 3k6k s ALA 122 Ca 0.44 -1.34 0.25 0.00 0.00 0.00 0.00 51.96 51.30 3k6k s ALA 122 Cb -0.10 -1.56 1.01 0.00 0.00 0.00 0.00 23.12 22.48 3k6k s ALA 122 CO 0.39 0.20 1.71 -0.35 0.00 0.00 0.00 175.76 177.70 3k6k n PRO 123 N -1.36 1.57 0.08 0.00 -0.04 -1.26 -4.21 135.00 129.77 3k6k n PRO 123 Ca -0.07 -0.84 -0.05 0.00 -0.04 0.00 0.00 63.50 62.50 3k6k n PRO 123 Cb 0.58 -1.43 0.13 0.00 -0.04 0.00 0.00 33.50 32.73 3k6k n PRO 123 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3k6k h GLU 124 N 1.86 0.27 -3.47 0.54 3.07 -1.95 -3.34 114.58 111.56 3k6k h GLU 124 Ca 0.00 -0.18 -0.67 0.00 -0.50 0.00 0.00 59.36 58.01 3k6k h GLU 124 Cb 0.40 0.02 -0.38 0.00 -0.84 0.00 0.00 28.75 27.96 3k6k h GLU 124 CO 0.00 0.77 -0.45 -0.80 -1.40 0.00 0.00 179.01 177.13 3k6k s ASN 125 N -6.90 4.91 0.94 1.42 -0.87 -0.38 -5.09 114.94 108.96 3k6k s ASN 125 Ca -0.04 -2.99 -0.12 0.00 -1.57 0.00 0.00 52.86 48.13 3k6k s ASN 125 Cb 0.12 -1.77 0.15 0.00 -0.02 0.00 0.00 41.25 39.73 3k6k s ASN 125 CO 0.80 -0.30 1.13 -2.16 -2.57 0.00 0.00 177.10 174.00 3k6k s PRO 126 N -0.27 0.94 0.19 -0.60 0.04 -1.26 -4.20 135.00 129.84 3k6k s PRO 126 Ca 0.18 0.32 -0.33 0.00 0.04 0.00 0.00 61.00 61.22 3k6k s PRO 126 Cb -0.21 -1.81 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 3k6k s PRO 126 CO -0.03 -2.34 1.30 0.34 0.04 0.00 0.00 177.00 176.30 3k6k n PHE 127 N -3.87 1.70 -1.36 0.56 7.35 -1.26 -1.21 117.46 119.37 3k6k n PHE 127 Ca 0.06 0.56 -0.17 0.00 -0.76 0.00 0.00 57.45 57.14 3k6k n PHE 127 Cb 0.59 -2.37 0.18 0.00 0.35 0.00 0.00 39.48 38.23 3k6k n PHE 127 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 3k6k n PRO 128 N 2.03 2.16 -0.06 -7.13 -0.04 -1.26 -5.06 135.00 125.64 3k6k n PRO 128 Ca 0.14 -3.14 -0.07 0.00 -0.04 0.00 0.00 63.50 60.39 3k6k n PRO 128 Cb 0.27 -2.05 -0.05 0.00 -0.04 0.00 0.00 33.50 31.63 3k6k n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k6k h ALA 129 N 1.11 -0.55 -0.83 0.55 0.00 -1.38 0.16 119.26 118.31 3k6k h ALA 129 Ca 0.47 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.49 3k6k h ALA 129 Cb 2.20 0.89 -0.08 0.00 0.00 0.00 0.00 17.79 20.79 3k6k h ALA 129 CO 0.85 -0.67 0.45 0.00 0.00 0.00 0.00 179.25 179.88 3k6k h ALA 130 N -0.73 1.22 0.72 0.00 0.00 -1.81 -0.96 119.26 117.69 3k6k h ALA 130 Ca 0.03 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3k6k h ALA 130 Cb 0.29 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3k6k h ALA 130 CO -0.27 -0.01 -0.34 0.28 0.00 0.00 0.00 179.25 178.91 3k6k h VAL 131 N 0.70 0.20 -0.99 0.00 2.07 -1.72 -1.81 116.25 114.70 3k6k h VAL 131 Ca 0.43 -0.18 0.33 0.00 0.82 0.00 0.00 66.70 68.10 3k6k h VAL 131 Cb 0.52 0.24 -0.15 0.00 -1.52 0.00 0.00 31.29 30.38 3k6k h VAL 131 CO -0.31 0.02 0.53 0.44 0.02 0.00 0.00 177.57 178.27 3k6k h ASP 132 N -1.10 0.43 0.04 0.57 3.45 -0.42 -1.33 116.42 118.05 3k6k h ASP 132 Ca -0.10 0.20 -0.00 0.00 0.43 0.00 0.00 57.03 57.56 3k6k h ASP 132 Cb 0.76 0.17 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 3k6k h ASP 132 CO 0.16 -0.19 -0.02 0.44 -1.57 0.00 0.00 179.24 178.07 3k6k h ASP 133 N 0.26 -0.04 -0.96 6.45 3.32 -0.50 -2.04 116.42 122.90 3k6k h ASP 133 Ca 0.74 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.79 3k6k h ASP 133 Cb 1.71 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 41.21 3k6k h ASP 133 CO -0.64 0.00 0.63 0.00 -1.72 0.00 0.00 179.24 177.52 3k6k h VAL 135 N 1.21 1.23 -0.14 0.00 2.07 -1.28 -1.92 116.25 117.41 3k6k h VAL 135 Ca 0.39 -0.74 -0.18 0.00 0.82 0.00 0.00 66.70 66.98 3k6k h VAL 135 Cb 0.02 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3k6k h VAL 135 CO -0.12 0.28 -0.65 0.00 0.02 0.00 0.00 177.57 177.10 3k6k h ALA 136 N 1.06 0.59 -0.60 1.67 0.00 -0.42 0.40 119.26 121.96 3k6k h ALA 136 Ca 0.18 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 3k6k h ALA 136 Cb 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3k6k h ALA 136 CO -0.01 0.72 0.03 0.00 0.00 0.00 0.00 179.25 179.98 3k6k h ALA 137 N 0.89 0.91 -0.10 0.00 0.00 -0.34 -1.99 119.26 118.62 3k6k h ALA 137 Ca -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3k6k h ALA 137 Cb 1.22 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3k6k h ALA 137 CO 0.12 0.65 -0.03 -0.92 0.00 0.00 0.00 179.25 179.08 3k6k h TYR 138 N 0.95 0.21 -0.99 0.00 5.03 -1.17 0.13 116.97 121.12 3k6k h TYR 138 Ca 0.18 -0.05 0.34 0.00 2.58 0.00 0.00 58.73 61.78 3k6k h TYR 138 Cb 0.51 -0.05 -0.16 0.00 1.55 0.00 0.00 36.73 38.58 3k6k h TYR 138 CO 0.03 0.51 0.52 -0.09 -1.32 0.00 0.00 178.16 177.82 3k6k h ARG 139 N -0.15 0.20 0.00 1.82 2.43 -0.74 0.29 114.38 118.23 3k6k h ARG 139 Ca 0.02 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 3k6k h ARG 139 Cb 0.45 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3k6k h ARG 139 CO 0.01 0.13 -0.93 0.00 -1.51 0.00 0.00 179.97 177.67 3k6k h ALA 140 N 1.90 0.66 0.00 2.80 0.00 -1.13 -3.27 119.26 120.21 3k6k h ALA 140 Ca 0.75 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 3k6k h ALA 140 Cb 1.80 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 3k6k h ALA 140 CO -0.67 0.60 -0.53 1.25 0.00 0.00 0.00 179.25 179.90 3k6k h LEU 141 N 0.00 0.00 -2.02 0.00 5.85 0.16 -2.62 115.31 116.68 3k6k h LEU 141 Ca -0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3k6k h LEU 141 Cb 1.38 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.40 3k6k h LEU 141 CO 0.04 0.53 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.54 3k6k h LEU 142 N 0.00 0.00 0.04 2.25 3.38 -1.31 0.38 115.31 120.05 3k6k h LEU 142 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3k6k h LEU 142 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3k6k h LEU 142 CO 0.07 0.06 -0.02 0.11 0.09 0.00 0.00 178.44 178.75 3k6k h LYS 143 N 0.00 -0.05 -0.48 1.13 1.57 -1.63 -2.44 116.57 114.67 3k6k h LYS 143 Ca -0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3k6k h LYS 143 Cb 0.11 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3k6k h LYS 143 CO 0.01 0.58 0.32 1.15 -0.57 0.00 0.00 179.45 180.94 3k6k h THR 144 N -0.94 1.11 -0.10 -0.16 2.02 -1.33 -3.16 112.91 110.36 3k6k h THR 144 Ca -0.00 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.93 3k6k h THR 144 Cb 0.64 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3k6k h THR 144 CO 0.01 0.12 -0.06 0.00 0.37 0.00 0.00 175.52 175.96 3k6k h ALA 145 N 1.70 0.14 0.00 6.16 0.00 -0.33 -3.48 119.26 123.45 3k6k h ALA 145 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3k6k h ALA 145 Cb -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3k6k h ALA 145 CO -0.04 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.54 3k6k n GLY 146 N 0.07 3.11 3.39 0.00 0.00 -0.92 -4.97 105.19 105.87 3k6k n GLY 146 Ca -0.07 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 3k6k n GLY 146 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k6k s SER 147 N 0.00 -0.45 0.33 1.61 0.15 -1.26 -4.95 113.70 109.14 3k6k s SER 147 Ca 0.00 0.54 0.09 0.00 0.70 0.00 0.00 55.95 57.28 3k6k s SER 147 Cb 0.00 0.57 0.83 0.00 -1.71 0.00 0.00 66.02 65.70 3k6k s SER 147 CO 0.00 -0.45 1.80 0.00 1.20 0.00 0.00 173.24 175.79 3k6k h ALA 148 N 3.83 1.82 -1.72 5.45 0.00 -1.87 -2.72 119.26 124.05 3k6k h ALA 148 Ca -0.28 0.06 0.50 0.00 0.00 0.00 0.00 54.91 55.18 3k6k h ALA 148 Cb 1.16 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 3k6k h ALA 148 CO 0.35 -0.16 1.25 -0.44 0.00 0.00 0.00 179.25 180.25 3k6k h ASP 149 N 0.68 0.00 -0.34 0.00 3.45 -1.91 0.31 116.42 118.61 3k6k h ASP 149 Ca 0.55 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.01 3k6k h ASP 149 Cb 0.96 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.73 3k6k h ASP 149 CO -0.32 0.00 0.00 -1.14 -1.57 0.00 0.00 179.24 176.21 3k6k n ARG 150 N -3.98 2.40 -4.21 3.56 3.00 -1.03 -4.57 116.66 111.84 3k6k n ARG 150 Ca 0.38 -2.19 -0.34 0.00 -0.00 0.00 0.00 57.85 55.70 3k6k n ARG 150 Cb 1.78 -1.48 -0.12 0.00 0.00 0.00 0.00 32.46 32.64 3k6k n ARG 150 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3k6k s ILE 151 N -1.46 3.99 -0.15 5.15 1.01 0.11 -1.34 121.20 128.51 3k6k s ILE 151 Ca 0.36 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.65 3k6k s ILE 151 Cb 0.21 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 3k6k s ILE 151 CO 0.30 0.46 -0.01 -0.63 0.00 0.00 0.00 174.94 175.06 3k6k s ILE 152 N 0.68 4.16 -0.09 2.92 -1.09 -0.50 -0.67 121.20 126.61 3k6k s ILE 152 Ca -0.01 -0.27 -0.18 0.00 -2.23 0.00 0.00 60.65 57.96 3k6k s ILE 152 Cb -0.14 -2.83 -0.04 0.00 -1.58 0.00 0.00 42.46 37.86 3k6k s ILE 152 CO 0.02 0.50 0.49 -0.63 -1.23 0.00 0.00 174.94 174.09 3k6k s ILE 153 N 0.22 5.13 0.06 2.92 -1.09 -0.90 -1.28 121.20 126.25 3k6k s ILE 153 Ca -0.00 1.00 0.02 0.00 -2.23 0.00 0.00 60.65 59.43 3k6k s ILE 153 Cb -0.13 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 36.89 3k6k s ILE 153 CO 0.02 0.36 -0.07 0.00 -1.23 0.00 0.00 174.94 174.02 3k6k s ALA 154 N 0.34 0.68 -0.06 9.38 0.00 0.04 -0.93 121.76 131.22 3k6k s ALA 154 Ca 0.27 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 50.95 3k6k s ALA 154 Cb -0.16 0.10 0.11 0.00 0.00 0.00 0.00 23.12 23.17 3k6k s ALA 154 CO 0.12 -0.12 0.99 0.20 0.00 0.00 0.00 175.76 176.95 3k6k s GLY 155 N -2.13 -0.41 0.06 0.00 0.00 -0.23 -0.16 107.32 104.45 3k6k s GLY 155 Ca -0.02 1.17 0.09 0.00 0.00 0.00 0.00 44.72 45.96 3k6k s GLY 155 CO -0.02 0.39 -0.24 0.51 0.00 0.00 0.00 173.10 173.74 3k6k s ASP 156 N -2.40 2.89 1.65 1.64 -4.77 -1.14 -1.19 116.67 113.35 3k6k s ASP 156 Ca 0.07 -0.60 0.00 0.00 -3.30 0.00 0.00 52.55 48.71 3k6k s ASP 156 Cb -0.01 -0.23 0.00 0.00 -1.09 0.00 0.00 42.92 41.59 3k6k s ASP 156 CO -0.07 0.19 0.00 -0.24 0.70 0.00 0.00 175.17 175.75 3k6k n SER 157 N 1.60 0.00 -0.09 2.11 2.88 0.02 -0.83 113.62 119.30 3k6k n SER 157 Ca -0.17 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.53 3k6k n SER 157 Cb 0.53 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.56 3k6k n SER 157 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k6k h ALA 158 N -0.83 2.25 0.00 -1.46 0.00 -1.84 0.19 119.26 117.58 3k6k h ALA 158 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3k6k h ALA 158 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3k6k h ALA 158 CO 0.00 -0.43 -0.48 0.78 0.00 0.00 0.00 179.25 179.12 3k6k h GLY 159 N 0.26 0.00 0.98 0.00 0.00 -0.90 0.19 103.07 103.60 3k6k h GLY 159 Ca 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 3k6k h GLY 159 CO -0.07 0.00 0.28 -1.33 0.00 0.00 0.00 176.54 175.42 3k6k h GLY 160 N 1.63 0.78 0.56 4.60 0.00 -0.53 0.10 103.07 110.21 3k6k h GLY 160 Ca -0.00 -0.36 0.06 0.00 0.00 0.00 0.00 47.33 47.02 3k6k h GLY 160 CO 0.06 0.34 0.10 -1.33 0.00 0.00 0.00 176.54 175.72 3k6k h GLY 161 N 0.69 0.48 1.03 4.60 0.00 -0.58 -2.43 103.07 106.85 3k6k h GLY 161 Ca 0.18 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 3k6k h GLY 161 CO -0.03 -0.01 0.16 1.41 0.00 0.00 0.00 176.54 178.07 3k6k h LEU 162 N 0.24 0.94 -0.89 3.11 3.38 -0.37 -1.87 115.31 119.85 3k6k h LEU 162 Ca 0.19 -0.23 0.18 0.00 0.09 0.00 0.00 57.88 58.11 3k6k h LEU 162 Cb 0.21 -0.25 -0.11 0.00 0.09 0.00 0.00 40.66 40.60 3k6k h LEU 162 CO -0.23 0.92 0.44 0.00 0.09 0.00 0.00 178.44 179.67 3k6k h THR 163 N 0.91 0.62 0.38 0.22 1.03 -0.29 -0.36 112.91 115.41 3k6k h THR 163 Ca 0.20 -0.19 -0.02 0.00 -0.01 0.00 0.00 66.41 66.39 3k6k h THR 163 Cb 0.34 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.45 3k6k h THR 163 CO 0.00 0.10 -0.18 0.74 -0.01 0.00 0.00 175.52 176.17 3k6k h THR 164 N 0.54 0.00 -0.89 0.00 2.02 -1.36 -3.25 112.91 109.97 3k6k h THR 164 Ca 0.52 -0.38 0.23 0.00 0.77 0.00 0.00 66.41 67.55 3k6k h THR 164 Cb 0.86 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.14 3k6k h THR 164 CO -0.43 0.00 0.36 0.00 0.37 0.00 0.00 175.52 175.81 3k6k h ALA 165 N -1.39 1.42 -0.30 6.16 0.00 -1.20 0.85 119.26 124.79 3k6k h ALA 165 Ca -0.05 0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3k6k h ALA 165 Cb 0.39 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3k6k h ALA 165 CO 0.08 -0.39 -0.36 0.66 0.00 0.00 0.00 179.25 179.25 3k6k h SER 166 N 0.34 0.72 0.00 0.00 4.64 -1.21 -1.10 113.55 116.95 3k6k h SER 166 Ca 0.57 -0.31 -0.12 0.00 -0.47 0.00 0.00 61.79 61.45 3k6k h SER 166 Cb 1.11 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 3k6k h SER 166 CO -0.57 1.01 -0.39 0.24 -0.87 0.00 0.00 176.83 176.26 3k6k h MET 167 N 0.57 0.50 0.45 4.77 2.86 -1.30 0.39 114.93 123.18 3k6k h MET 167 Ca 0.06 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 3k6k h MET 167 Cb 0.88 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 3k6k h MET 167 CO 0.08 0.81 -0.33 -0.07 1.06 0.00 0.00 176.91 178.46 3k6k h LEU 168 N 0.42 -0.85 -1.18 1.22 3.38 -0.31 -1.51 115.31 116.48 3k6k h LEU 168 Ca 0.04 0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.29 3k6k h LEU 168 Cb 0.86 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.78 3k6k h LEU 168 CO 0.07 -0.47 0.62 0.50 0.09 0.00 0.00 178.44 179.25 3k6k h LYS 169 N -0.74 0.57 0.00 1.13 3.64 -1.21 -0.68 116.57 119.27 3k6k h LYS 169 Ca -0.06 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 3k6k h LYS 169 Cb 0.61 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3k6k h LYS 169 CO 0.03 0.37 -0.29 0.00 -2.27 0.00 0.00 179.45 177.29 3k6k h ALA 170 N 1.65 1.22 0.06 5.00 0.00 0.05 -1.88 119.26 125.35 3k6k h ALA 170 Ca 0.58 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.97 3k6k h ALA 170 Cb 1.16 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.93 3k6k h ALA 170 CO -0.34 0.36 -1.04 -0.22 0.00 0.00 0.00 179.25 178.01 3k6k h LYS 171 N 0.00 0.60 0.00 0.00 3.64 -0.10 -1.43 116.57 119.28 3k6k h LYS 171 Ca -0.00 -0.72 -0.03 0.00 -1.27 0.00 0.00 60.65 58.62 3k6k h LYS 171 Cb 0.64 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3k6k h LYS 171 CO 0.04 1.31 -0.15 1.49 -2.27 0.00 0.00 179.45 179.86 3k6k h GLU 172 N 0.21 0.00 -0.00 1.90 4.81 -1.06 -2.23 114.58 118.21 3k6k h GLU 172 Ca -0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 3k6k h GLU 172 Cb 1.72 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.10 3k6k h GLU 172 CO 0.20 0.15 -0.00 -0.25 -0.73 0.00 0.00 179.01 178.38 3k6k n ASP 173 N -4.21 0.01 0.00 1.04 9.92 -0.73 -4.92 116.55 117.67 3k6k n ASP 173 Ca -0.02 -0.25 0.00 0.00 -0.53 0.00 0.00 54.79 53.99 3k6k n ASP 173 Cb 0.23 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 3k6k n ASP 173 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3k6k n GLY 174 N 1.25 0.78 3.78 0.44 0.00 -0.84 -5.05 105.19 105.56 3k6k n GLY 174 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3k6k n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k6k s LEU 175 N 0.00 4.27 0.53 0.99 1.43 -0.56 -5.02 118.68 120.33 3k6k s LEU 175 Ca 0.00 1.92 -0.17 0.00 -1.03 0.00 0.00 54.13 54.85 3k6k s LEU 175 Cb 0.00 -4.07 -0.07 0.00 0.03 0.00 0.00 46.19 42.08 3k6k s LEU 175 CO 0.00 -0.22 1.01 -2.16 0.23 0.00 0.00 176.35 175.21 3k6k s PRO 176 N -2.21 3.75 0.32 1.29 0.04 -1.26 -4.43 135.00 132.50 3k6k s PRO 176 Ca 0.53 1.09 -0.27 0.00 0.04 0.00 0.00 61.00 62.39 3k6k s PRO 176 Cb -0.20 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.14 3k6k s PRO 176 CO 0.26 -0.45 0.98 -1.64 0.04 0.00 0.00 177.00 176.19 3k6k s MET 177 N -3.93 4.56 1.07 4.56 -1.94 -1.26 -4.94 119.30 117.42 3k6k s MET 177 Ca 0.61 1.45 -0.18 0.00 -1.71 0.00 0.00 55.69 55.87 3k6k s MET 177 Cb -0.12 -2.89 0.24 0.00 2.01 0.00 0.00 34.83 34.07 3k6k s MET 177 CO 0.31 0.24 1.25 -1.25 -0.01 0.00 0.00 175.02 175.55 3k6k s PRO 178 N -1.90 -0.20 0.04 2.03 0.04 -1.26 -4.59 135.00 129.15 3k6k s PRO 178 Ca 0.49 -0.31 0.14 0.00 0.04 0.00 0.00 61.00 61.35 3k6k s PRO 178 Cb -0.22 -1.74 0.58 0.00 0.04 0.00 0.00 34.50 33.16 3k6k s PRO 178 CO 0.28 -2.99 1.43 0.00 0.04 0.00 0.00 177.00 175.76 3k6k n ALA 179 N -4.20 1.55 0.00 8.56 0.00 0.15 -4.71 120.51 121.87 3k6k n ALA 179 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3k6k n ALA 179 Cb 0.59 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3k6k n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k6k n GLY 180 N -0.25 1.63 2.91 0.00 0.00 -1.25 -4.57 105.19 103.65 3k6k n GLY 180 Ca 0.03 -1.32 -0.17 0.00 0.00 0.00 0.00 46.02 44.56 3k6k n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k6k s LEU 181 N 0.00 1.66 -0.09 0.99 1.43 -0.25 -2.11 118.68 120.31 3k6k s LEU 181 Ca 0.00 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3k6k s LEU 181 Cb 0.00 -0.29 0.01 0.00 0.03 0.00 0.00 46.19 45.94 3k6k s LEU 181 CO 0.00 -0.00 -0.15 -0.69 0.23 0.00 0.00 176.35 175.73 3k6k s VAL 182 N 0.38 1.45 -0.04 -1.59 1.01 -0.11 -1.35 120.40 120.15 3k6k s VAL 182 Ca -0.04 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3k6k s VAL 182 Cb -0.08 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 35.01 3k6k s VAL 182 CO -0.00 0.43 -0.05 -0.04 0.00 0.00 0.00 175.10 175.44 3k6k s MET 183 N 0.76 0.76 -0.21 2.72 -1.94 -0.46 -1.07 119.30 119.87 3k6k s MET 183 Ca -0.12 -0.13 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 3k6k s MET 183 Cb -0.16 -0.77 0.02 0.00 2.01 0.00 0.00 34.83 35.94 3k6k s MET 183 CO 0.02 -0.04 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.34 3k6k s LEU 184 N 0.71 2.60 -1.02 -0.03 1.02 -0.33 -1.95 118.68 119.67 3k6k s LEU 184 Ca -0.09 -0.77 -0.18 0.00 0.02 0.00 0.00 54.13 53.11 3k6k s LEU 184 Cb -0.12 -1.55 0.02 0.00 0.02 0.00 0.00 46.19 44.56 3k6k s LEU 184 CO 0.00 -0.05 0.33 -1.20 0.02 0.00 0.00 176.35 175.45 3k6k n SER 185 N 4.62 -1.74 -4.69 2.29 7.64 -0.43 -0.80 113.62 120.51 3k6k n SER 185 Ca -0.19 -1.00 -0.40 0.00 1.01 0.00 0.00 58.87 58.30 3k6k n SER 185 Cb 0.48 -1.21 0.03 0.00 -1.01 0.00 0.00 64.21 62.50 3k6k n SER 185 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3k6k n PRO 186 N -3.99 1.61 -3.80 1.43 -0.04 -1.26 -2.65 135.00 126.29 3k6k n PRO 186 Ca -0.14 0.59 -0.35 0.00 -0.04 0.00 0.00 63.50 63.55 3k6k n PRO 186 Cb 0.47 -2.37 -0.12 0.00 -0.04 0.00 0.00 33.50 31.43 3k6k n PRO 186 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3k6k s PHE 187 N -1.29 3.59 0.00 0.54 5.99 -0.89 -4.52 117.98 121.40 3k6k s PHE 187 Ca 0.67 -2.52 0.00 0.00 0.00 0.00 0.00 56.93 55.08 3k6k s PHE 187 Cb -0.47 -3.19 0.00 0.00 0.00 0.00 0.00 43.02 39.37 3k6k s PHE 187 CO 0.53 -0.96 0.24 1.33 -0.00 0.00 0.00 175.22 176.36 3k6k n VAL 188 N 4.44 0.03 -3.82 3.12 0.24 -1.26 -3.95 118.33 117.12 3k6k n VAL 188 Ca -0.01 -0.21 -0.30 0.00 -2.04 0.00 0.00 64.34 61.79 3k6k n VAL 188 Cb 0.41 1.55 -0.15 0.00 -1.47 0.00 0.00 33.84 34.17 3k6k n VAL 188 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3k6k s ASP 189 N -0.03 4.03 -0.06 -1.34 3.68 -1.26 -3.20 116.67 118.49 3k6k s ASP 189 Ca 0.00 -1.57 0.07 0.00 2.13 0.00 0.00 52.55 53.17 3k6k s ASP 189 Cb 0.00 -1.04 0.29 0.00 -1.45 0.00 0.00 42.92 40.72 3k6k s ASP 189 CO 0.00 -0.37 1.06 0.18 0.13 0.00 0.00 175.17 176.17 3k6k n LEU 190 N 4.72 2.34 0.10 -1.34 4.32 -1.26 -2.89 117.00 123.00 3k6k n LEU 190 Ca -0.03 -1.18 0.12 0.00 -0.02 0.00 0.00 56.01 54.89 3k6k n LEU 190 Cb 0.43 -0.43 0.13 0.00 -1.62 0.00 0.00 43.42 41.93 3k6k n LEU 190 CO 0.15 0.39 0.36 0.71 -1.22 0.00 0.00 177.39 177.77 3k6k h THR 191 N 1.57 0.00 -6.01 -5.08 1.35 -1.94 -3.47 112.91 99.33 3k6k h THR 191 Ca 0.00 -0.74 -0.42 0.00 -0.55 0.00 0.00 66.41 64.70 3k6k h THR 191 Cb 0.82 1.39 0.07 0.00 -1.73 0.00 0.00 68.15 68.71 3k6k h THR 191 CO 0.12 0.00 -0.73 0.18 -0.25 0.00 0.00 175.52 174.84 3k6k n LEU 192 N -2.47 -3.14 -0.09 3.87 4.77 -1.14 -4.90 117.00 113.91 3k6k n LEU 192 Ca 0.02 -0.65 0.02 0.00 -0.03 0.00 0.00 56.01 55.37 3k6k n LEU 192 Cb 0.49 -2.85 0.00 0.00 -2.33 0.00 0.00 43.42 38.74 3k6k n LEU 192 CO 0.37 0.55 0.20 -1.54 -1.33 0.00 0.00 177.39 175.64 3k6k n SER 193 N -2.97 0.90 -4.60 -1.43 3.41 -1.26 -4.85 113.62 102.83 3k6k n SER 193 Ca -0.03 -0.95 -0.28 0.00 -0.26 0.00 0.00 58.87 57.34 3k6k n SER 193 Cb 0.57 0.32 0.12 0.00 -0.26 0.00 0.00 64.21 64.96 3k6k n SER 193 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3k6k s ARG 194 N -0.59 1.48 0.17 4.33 0.52 -1.26 -4.86 118.95 118.74 3k6k s ARG 194 Ca 0.03 -0.24 -0.24 0.00 -0.52 0.00 0.00 55.73 54.76 3k6k s ARG 194 Cb 0.03 -1.98 0.06 0.00 0.52 0.00 0.00 34.95 33.58 3k6k s ARG 194 CO 0.06 -1.84 1.57 2.35 0.02 0.00 0.00 175.30 177.47 3k6k h TRP 195 N -1.16 -1.17 -0.01 -0.53 7.01 -1.96 -2.54 115.95 115.60 3k6k h TRP 195 Ca -0.44 0.08 -0.09 0.00 2.11 0.00 0.00 58.89 60.54 3k6k h TRP 195 Cb 1.29 0.59 -0.01 0.00 -2.10 0.00 0.00 29.16 28.93 3k6k h TRP 195 CO -0.28 -0.41 -0.43 0.66 -2.79 0.00 0.00 178.44 175.19 3k6k h SER 196 N -0.22 0.02 -0.45 2.65 4.64 -1.91 -1.76 113.55 116.52 3k6k h SER 196 Ca 0.19 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.57 3k6k h SER 196 Cb 0.56 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.59 3k6k h SER 196 CO -0.68 0.44 0.13 0.78 -0.87 0.00 0.00 176.83 176.64 3k6k h ASN 197 N 0.01 0.10 0.20 4.97 2.35 -0.88 0.44 115.58 122.77 3k6k h ASN 197 Ca -0.00 0.06 -0.30 0.00 -0.55 0.00 0.00 56.30 55.51 3k6k h ASN 197 Cb 0.76 0.07 0.02 0.00 0.05 0.00 0.00 38.32 39.23 3k6k h ASN 197 CO 0.06 0.09 -1.40 0.77 -1.65 0.00 0.00 177.43 175.29 3k6k h SER 198 N 0.29 0.67 0.35 5.81 4.64 -1.55 -3.25 113.55 120.51 3k6k h SER 198 Ca 0.22 -0.92 -0.14 0.00 -0.47 0.00 0.00 61.79 60.47 3k6k h SER 198 Cb 0.25 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3k6k h SER 198 CO -0.25 1.66 -0.60 0.78 -0.87 0.00 0.00 176.83 177.55 3k6k h ASN 199 N -0.02 0.27 -0.22 4.97 2.35 -1.17 -3.21 115.58 118.55 3k6k h ASN 199 Ca -0.26 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.33 3k6k h ASN 199 Cb 2.00 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 40.29 3k6k h ASN 199 CO 0.20 0.81 0.00 0.18 -1.65 0.00 0.00 177.43 176.97 3k6k n LEU 200 N -3.88 2.53 -0.35 1.61 4.77 0.15 -4.78 117.00 117.05 3k6k n LEU 200 Ca -0.02 -1.74 -0.09 0.00 -0.03 0.00 0.00 56.01 54.13 3k6k n LEU 200 Cb 0.61 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 3k6k n LEU 200 CO 0.44 0.61 0.45 0.00 -1.33 0.00 0.00 177.39 177.56 3k6k n ALA 201 N 0.41 -0.53 1.51 -1.18 0.00 -1.21 -1.26 120.51 118.25 3k6k n ALA 201 Ca 0.09 0.71 0.01 0.00 0.00 0.00 0.00 53.44 54.24 3k6k n ALA 201 Cb 0.36 -0.07 0.04 0.00 0.00 0.00 0.00 19.45 19.77 3k6k n ALA 201 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k6k n ASP 202 N -4.93 0.00 -0.10 0.00 8.00 -1.26 -1.83 116.55 116.42 3k6k n ASP 202 Ca 0.02 -1.48 0.02 0.00 0.71 0.00 0.00 54.79 54.06 3k6k n ASP 202 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 3k6k n ASP 202 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3k6k n ARG 203 N -0.52 2.13 -3.25 -1.24 1.85 -0.39 -4.91 116.66 110.33 3k6k n ARG 203 Ca 0.01 -0.44 -0.46 0.00 -1.00 0.00 0.00 57.85 55.96 3k6k n ARG 203 Cb 0.00 -0.91 -0.03 0.00 -1.05 0.00 0.00 32.46 30.47 3k6k n ARG 203 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 3k6k s ASP 204 N -0.77 6.52 0.00 2.89 -1.08 -0.76 -4.70 116.67 118.77 3k6k s ASP 204 Ca 0.03 -2.21 0.08 0.00 -0.52 0.00 0.00 52.55 49.94 3k6k s ASP 204 Cb 0.03 -2.24 0.27 0.00 -1.46 0.00 0.00 42.92 39.52 3k6k s ASP 204 CO 0.09 -0.78 1.21 0.49 0.52 0.00 0.00 175.17 176.71 3k6k n PHE 205 N 4.93 0.29 -0.02 -5.34 3.72 -1.26 -4.03 117.46 115.75 3k6k n PHE 205 Ca 0.04 -0.14 -0.06 0.00 -0.05 0.00 0.00 57.45 57.24 3k6k n PHE 205 Cb 0.45 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.97 3k6k n PHE 205 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3k6k n LEU 206 N 0.15 1.32 -4.32 4.37 4.77 -1.26 -4.71 117.00 117.32 3k6k n LEU 206 Ca 0.08 0.20 -0.44 0.00 -0.03 0.00 0.00 56.01 55.83 3k6k n LEU 206 Cb 0.20 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 40.81 3k6k n LEU 206 CO 0.06 -0.38 0.73 0.00 -1.33 0.00 0.00 177.39 176.47 3k6k s ALA 207 N -2.35 4.68 0.65 -1.18 0.00 -1.26 -5.00 121.76 117.31 3k6k s ALA 207 Ca -0.13 -3.84 -0.10 0.00 0.00 0.00 0.00 51.96 47.89 3k6k s ALA 207 Cb 0.03 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 3k6k s ALA 207 CO 0.19 -2.20 1.03 -1.21 0.00 0.00 0.00 175.76 173.57 3k6k s GLU 208 N -1.25 3.06 0.12 0.00 2.02 -1.26 -4.72 118.70 116.68 3k6k s GLU 208 Ca 0.30 0.41 -0.23 0.00 0.02 0.00 0.00 54.97 55.47 3k6k s GLU 208 Cb -0.10 -2.10 -0.05 0.00 0.10 0.00 0.00 34.13 31.98 3k6k s GLU 208 CO -0.08 -0.83 1.67 -1.35 0.02 0.00 0.00 175.26 174.69 3k6k h PRO 209 N -0.44 -0.20 0.00 0.39 0.11 -1.90 0.23 132.00 130.19 3k6k h PRO 209 Ca -0.45 0.01 -0.21 0.00 0.11 0.00 0.00 66.00 65.46 3k6k h PRO 209 Cb 1.24 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 3k6k h PRO 209 CO 0.63 -0.14 -1.08 0.38 -0.21 0.00 0.00 178.00 177.58 3k6k h ASP 210 N -0.21 0.00 -0.91 -2.05 3.04 -1.99 0.58 116.42 114.88 3k6k h ASP 210 Ca 0.07 0.00 0.12 0.00 -3.24 0.00 0.00 57.03 53.98 3k6k h ASP 210 Cb 0.31 0.00 -0.13 0.00 -1.04 0.00 0.00 39.33 38.47 3k6k h ASP 210 CO -0.19 0.96 -0.48 0.74 -2.04 0.00 0.00 179.24 178.23 3k6k h THR 211 N 0.00 0.02 0.01 1.15 2.02 -1.89 -2.62 112.91 111.59 3k6k h THR 211 Ca -0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 3k6k h THR 211 Cb 1.78 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3k6k h THR 211 CO 0.12 0.00 -0.00 -0.07 0.37 0.00 0.00 175.52 175.93 3k6k h LEU 212 N -0.05 -0.01 -0.70 2.58 3.38 0.11 -2.77 115.31 117.85 3k6k h LEU 212 Ca 0.24 -0.42 0.15 0.00 0.09 0.00 0.00 57.88 57.94 3k6k h LEU 212 Cb 0.52 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.16 3k6k h LEU 212 CO -0.91 0.42 0.12 1.23 0.09 0.00 0.00 178.44 179.39 3k6k h GLY 213 N -0.44 0.90 0.91 0.83 0.00 -0.91 -0.45 103.07 103.90 3k6k h GLY 213 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3k6k h GLY 213 CO 0.00 -0.20 -0.25 -2.09 0.00 0.00 0.00 176.54 174.00 3k6k h GLU 214 N 0.22 -0.61 -0.98 4.80 4.81 -1.45 0.32 114.58 121.69 3k6k h GLU 214 Ca 0.39 0.04 0.17 0.00 -0.13 0.00 0.00 59.36 59.83 3k6k h GLU 214 Cb 0.65 0.14 -0.09 0.00 0.63 0.00 0.00 28.75 30.07 3k6k h GLU 214 CO -0.52 -0.40 0.61 0.52 -0.73 0.00 0.00 179.01 178.49 3k6k h MET 215 N -0.63 0.71 0.04 1.92 2.86 -1.19 -0.02 114.93 118.62 3k6k h MET 215 Ca -0.05 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3k6k h MET 215 Cb 0.51 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.01 3k6k h MET 215 CO 0.06 0.47 -0.02 1.03 1.06 0.00 0.00 176.91 179.51 3k6k h SER 216 N 0.74 -0.04 -0.06 1.22 0.87 -0.03 -2.43 113.55 113.82 3k6k h SER 216 Ca 0.53 -0.36 -0.18 0.00 -1.23 0.00 0.00 61.79 60.55 3k6k h SER 216 Cb 0.85 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.82 3k6k h SER 216 CO -0.30 0.35 -0.61 1.05 -0.53 0.00 0.00 176.83 176.79 3k6k h GLU 217 N -0.44 0.66 -0.69 2.24 4.11 -0.02 -1.05 114.58 119.40 3k6k h GLU 217 Ca -0.00 -0.45 0.01 0.00 0.07 0.00 0.00 59.36 58.98 3k6k h GLU 217 Cb 0.40 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 3k6k h GLU 217 CO 0.01 1.07 0.45 -0.07 0.07 0.00 0.00 179.01 180.54 3k6k h LEU 218 N 0.50 0.78 -0.28 3.06 3.38 -1.06 -2.00 115.31 119.68 3k6k h LEU 218 Ca -0.00 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 3k6k h LEU 218 Cb 1.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3k6k h LEU 218 CO 0.12 0.56 -0.87 0.22 0.09 0.00 0.00 178.44 178.56 3k6k h TYR 219 N 0.92 0.41 -0.28 1.13 -0.00 -1.40 -3.25 116.97 114.50 3k6k h TYR 219 Ca 0.26 -0.22 -0.03 0.00 -0.00 0.00 0.00 58.73 58.74 3k6k h TYR 219 Cb -0.09 -0.05 -0.02 0.00 -0.00 0.00 0.00 36.73 36.58 3k6k h TYR 219 CO -0.03 1.02 0.04 0.28 -0.00 0.00 0.00 178.16 179.47 3k6k h VAL 220 N 0.16 1.15 0.00 1.81 2.07 -0.72 -3.39 116.25 117.34 3k6k h VAL 220 Ca -0.05 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3k6k h VAL 220 Cb 1.49 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3k6k h VAL 220 CO 0.14 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.54 3k6k n GLY 221 N -1.08 3.15 2.24 2.17 0.00 -0.80 -0.88 105.19 110.00 3k6k n GLY 221 Ca 0.01 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3k6k n GLY 221 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k6k n GLY 222 N 0.00 6.04 3.95 -0.02 0.00 -1.26 -4.98 105.19 108.92 3k6k n GLY 222 Ca 0.00 -2.42 -0.19 0.00 0.00 0.00 0.00 46.02 43.41 3k6k n GLY 222 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k6k s GLU 223 N -3.76 2.79 0.06 1.61 0.41 -0.05 -5.06 118.70 114.70 3k6k s GLU 223 Ca 0.61 -1.28 -0.31 0.00 -0.41 0.00 0.00 54.97 53.58 3k6k s GLU 223 Cb 0.48 -2.63 -0.06 0.00 -1.78 0.00 0.00 34.13 30.14 3k6k s GLU 223 CO 0.00 -0.14 1.27 0.34 -0.49 0.00 0.00 175.26 176.24 3k6k s ASP 224 N -4.21 6.99 0.46 -0.19 -1.08 -1.26 -4.91 116.67 112.47 3k6k s ASP 224 Ca 0.49 2.10 0.29 0.00 -0.52 0.00 0.00 52.55 54.91 3k6k s ASP 224 Cb -0.08 -2.58 1.01 0.00 -1.46 0.00 0.00 42.92 39.82 3k6k s ASP 224 CO 0.30 -0.55 1.84 0.08 0.52 0.00 0.00 175.17 177.36 3k6k h ARG 225 N 6.93 0.00 -0.59 4.34 0.11 -1.97 -1.31 114.38 121.90 3k6k h ARG 225 Ca -0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.67 3k6k h ARG 225 Cb 1.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 3k6k h ARG 225 CO 0.84 0.00 0.00 1.63 0.10 0.00 0.00 179.97 182.54 3k6k n LYS 226 N -2.94 2.75 -1.62 0.08 5.02 -1.26 -4.14 118.16 116.05 3k6k n LYS 226 Ca 0.02 -1.99 -0.50 0.00 -2.02 0.00 0.00 58.31 53.82 3k6k n LYS 226 Cb 0.36 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 3k6k n LYS 226 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3k6k n ASN 227 N 0.82 2.16 -0.07 4.39 4.05 -0.50 -4.74 115.26 121.38 3k6k n ASN 227 Ca 0.18 1.10 0.12 0.00 0.45 0.00 0.00 54.58 56.44 3k6k n ASN 227 Cb 0.61 -1.26 0.52 0.00 1.23 0.00 0.00 39.78 40.87 3k6k n ASN 227 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3k6k h PRO 228 N 5.21 0.36 -0.00 1.20 0.13 -1.86 0.24 132.00 137.28 3k6k h PRO 228 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3k6k h PRO 228 Cb 1.31 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3k6k h PRO 228 CO 0.82 0.24 -0.01 1.28 -0.23 0.00 0.00 178.00 180.10 3k6k n LEU 229 N -4.47 0.02 -0.11 1.56 4.32 -1.26 -2.20 117.00 114.86 3k6k n LEU 229 Ca 0.09 0.45 -0.16 0.00 -0.02 0.00 0.00 56.01 56.38 3k6k n LEU 229 Cb 0.37 -0.46 -0.10 0.00 -1.62 0.00 0.00 43.42 41.61 3k6k n LEU 229 CO 0.34 0.00 -1.21 -0.38 -1.22 0.00 0.00 177.39 174.92 3k6k n ILE 230 N -1.47 1.24 -3.71 -0.08 5.41 -0.18 -4.77 119.36 115.79 3k6k n ILE 230 Ca 0.08 -0.46 -0.28 0.00 1.00 0.00 0.00 62.75 63.09 3k6k n ILE 230 Cb 0.33 -1.32 -0.12 0.00 -0.71 0.00 0.00 39.64 37.82 3k6k n ILE 230 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 3k6k s SER 231 N -6.18 3.56 0.66 4.38 0.01 0.66 -4.67 113.70 112.11 3k6k s SER 231 Ca -0.29 -3.27 0.31 0.00 1.31 0.00 0.00 55.95 54.01 3k6k s SER 231 Cb 0.08 -1.15 1.71 0.00 0.21 0.00 0.00 66.02 66.87 3k6k s SER 231 CO 0.49 -0.16 1.98 -0.65 0.41 0.00 0.00 173.24 175.30 3k6k h PRO 232 N 5.88 0.00 -1.23 12.44 0.11 -1.40 0.34 132.00 148.13 3k6k h PRO 232 Ca 0.13 0.00 0.35 0.00 0.11 0.00 0.00 66.00 66.59 3k6k h PRO 232 Cb 0.85 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.89 3k6k h PRO 232 CO 0.56 0.00 0.86 0.28 -0.21 0.00 0.00 178.00 179.49 3k6k h VAL 233 N 0.00 0.38 -0.45 3.15 2.07 -1.84 -0.88 116.25 118.67 3k6k h VAL 233 Ca 0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3k6k h VAL 233 Cb 0.63 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3k6k h VAL 233 CO -0.00 0.02 0.00 -1.22 0.02 0.00 0.00 177.57 176.39 3k6k n TYR 234 N -4.29 0.58 -2.43 1.57 4.01 0.11 -4.94 117.16 111.77 3k6k n TYR 234 Ca 0.28 -0.29 -0.31 0.00 -0.16 0.00 0.00 57.90 57.42 3k6k n TYR 234 Cb 1.25 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 40.25 3k6k n TYR 234 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k6k s ALA 235 N -1.42 3.15 -0.45 -0.72 0.00 -0.34 -4.77 121.76 117.21 3k6k s ALA 235 Ca 0.39 0.02 -0.27 0.00 0.00 0.00 0.00 51.96 52.10 3k6k s ALA 235 Cb 0.22 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 3k6k s ALA 235 CO 0.30 -0.26 1.98 0.34 0.00 0.00 0.00 175.76 178.12 3k6k s ASP 236 N -3.31 5.36 0.00 0.00 -1.08 -1.26 -4.87 116.67 111.51 3k6k s ASP 236 Ca 0.56 0.98 0.21 0.00 -0.52 0.00 0.00 52.55 53.78 3k6k s ASP 236 Cb -0.10 -2.52 0.60 0.00 -1.46 0.00 0.00 42.92 39.44 3k6k s ASP 236 CO 0.35 -2.19 1.50 0.18 0.52 0.00 0.00 175.17 175.54 3k6k n LEU 237 N 12.34 3.83 -4.73 -1.34 4.77 -1.26 -4.96 117.00 125.64 3k6k n LEU 237 Ca 0.25 -1.99 -0.37 0.00 -0.03 0.00 0.00 56.01 53.87 3k6k n LEU 237 Cb 0.50 -0.45 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 3k6k n LEU 237 CO 0.70 0.95 0.92 -0.44 -1.33 0.00 0.00 177.39 178.19 3k6k s SER 238 N -1.01 4.68 0.00 -1.43 0.01 -1.26 -3.39 113.70 111.30 3k6k s SER 238 Ca 0.46 2.65 0.00 0.00 1.31 0.00 0.00 55.95 60.37 3k6k s SER 238 Cb 0.24 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.85 3k6k s SER 238 CO 0.31 -1.96 0.00 0.61 0.41 0.00 0.00 173.24 172.62 3k6k n GLY 239 N 0.88 2.24 3.81 3.44 0.00 -1.26 -5.04 105.19 109.26 3k6k n GLY 239 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3k6k n GLY 239 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k6k s LEU 240 N 0.00 3.68 0.79 0.99 1.43 -1.22 -4.98 118.68 119.37 3k6k s LEU 240 Ca 0.00 1.77 -0.10 0.00 -1.03 0.00 0.00 54.13 54.77 3k6k s LEU 240 Cb 0.00 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.78 3k6k s LEU 240 CO 0.00 -0.82 1.14 -2.16 0.23 0.00 0.00 176.35 174.74 3k6k s PRO 241 N -3.74 1.84 0.50 1.29 0.04 -1.26 -4.69 135.00 128.99 3k6k s PRO 241 Ca 0.63 -0.14 -0.23 0.00 0.04 0.00 0.00 61.00 61.31 3k6k s PRO 241 Cb -0.14 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 3k6k s PRO 241 CO 0.28 -1.59 1.35 -1.83 0.04 0.00 0.00 177.00 175.26 3k6k s GLU 242 N -5.49 3.40 -0.05 4.56 1.03 -1.26 -4.63 118.70 116.25 3k6k s GLU 242 Ca 0.63 2.24 0.05 0.00 0.03 0.00 0.00 54.97 57.92 3k6k s GLU 242 Cb -0.10 -2.41 -0.02 0.00 -0.80 0.00 0.00 34.13 30.80 3k6k s GLU 242 CO 0.48 -0.99 -0.20 -1.64 -1.33 0.00 0.00 175.26 171.59 3k6k s MET 243 N -2.72 2.50 -0.10 -4.83 -1.94 0.16 -1.09 119.30 111.28 3k6k s MET 243 Ca 0.67 -0.80 0.03 0.00 -1.71 0.00 0.00 55.69 53.88 3k6k s MET 243 Cb -0.40 -2.26 0.01 0.00 2.01 0.00 0.00 34.83 34.18 3k6k s MET 243 CO 0.49 0.51 -0.20 -1.17 -0.01 0.00 0.00 175.02 174.65 3k6k s LEU 244 N -0.46 1.93 -0.06 -0.03 2.96 -0.46 -1.13 118.68 121.42 3k6k s LEU 244 Ca 0.05 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 3k6k s LEU 244 Cb -0.12 -1.23 0.01 0.00 0.50 0.00 0.00 46.19 45.35 3k6k s LEU 244 CO 0.01 0.09 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.36 3k6k s ILE 245 N 0.59 1.33 0.08 6.68 1.01 0.03 -1.35 121.20 129.57 3k6k s ILE 245 Ca -0.14 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 59.97 3k6k s ILE 245 Cb -0.17 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 3k6k s ILE 245 CO 0.04 0.39 -0.21 -1.00 0.00 0.00 0.00 174.94 174.17 3k6k s HIS 246 N 0.40 1.83 0.17 3.97 3.76 -0.82 -1.40 115.29 123.20 3k6k s HIS 246 Ca -0.11 -0.40 -0.23 0.00 -0.15 0.00 0.00 55.06 54.17 3k6k s HIS 246 Cb -0.14 -1.04 0.06 0.00 1.11 0.00 0.00 32.58 32.56 3k6k s HIS 246 CO 0.04 0.16 0.69 0.54 -0.85 0.00 0.00 174.74 175.31 3k6k s VAL 247 N -0.99 0.00 0.37 -0.90 0.11 -0.75 -1.32 120.40 116.92 3k6k s VAL 247 Ca 0.07 -0.31 0.07 0.00 -2.93 0.00 0.00 61.98 58.89 3k6k s VAL 247 Cb -0.09 -1.33 -0.02 0.00 -1.53 0.00 0.00 36.38 33.41 3k6k s VAL 247 CO 0.03 0.00 0.39 -0.83 -3.33 0.00 0.00 175.10 171.37 3k6k s GLY 248 N -2.78 1.85 0.28 6.54 0.00 -1.26 -0.44 107.32 111.52 3k6k s GLY 248 Ca 0.05 -1.67 0.08 0.00 0.00 0.00 0.00 44.72 43.18 3k6k s GLY 248 CO -0.06 -1.55 1.65 1.48 0.00 0.00 0.00 173.10 174.62 3k6k h SER 249 N 1.02 0.14 -0.78 1.64 4.64 -1.23 -3.38 113.55 115.61 3k6k h SER 249 Ca -0.43 -0.07 -0.54 0.00 -0.47 0.00 0.00 61.79 60.27 3k6k h SER 249 Cb 1.26 -0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 63.20 3k6k h SER 249 CO 0.55 0.64 1.32 -0.62 -0.87 0.00 0.00 176.83 177.85 3k6k n GLU 250 N -3.92 3.18 -3.71 4.77 -0.58 -0.29 -4.85 120.64 115.24 3k6k n GLU 250 Ca -0.02 -2.44 -0.21 0.00 -0.42 0.00 0.00 57.16 54.07 3k6k n GLU 250 Cb 0.55 -2.35 -0.18 0.00 -0.57 0.00 0.00 31.44 28.89 3k6k n GLU 250 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3k6k s GLU 251 N -0.59 0.15 0.58 3.49 2.02 -1.26 -4.17 118.70 118.91 3k6k s GLU 251 Ca 0.60 0.29 0.30 0.00 0.02 0.00 0.00 54.97 56.18 3k6k s GLU 251 Cb 0.29 -0.65 1.76 0.00 0.10 0.00 0.00 34.13 35.62 3k6k s GLU 251 CO -0.12 -0.32 2.22 0.00 0.02 0.00 0.00 175.26 177.06 3k6k h ALA 252 N 8.37 1.44 -0.65 5.21 0.00 -1.78 -2.51 119.26 129.33 3k6k h ALA 252 Ca -0.15 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 3k6k h ALA 252 Cb 1.12 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 3k6k h ALA 252 CO 0.19 0.04 0.13 1.28 0.00 0.00 0.00 179.25 180.90 3k6k n LEU 253 N -3.76 5.91 0.03 0.00 4.77 -1.26 -1.73 117.00 120.96 3k6k n LEU 253 Ca -0.03 -3.04 -0.10 0.00 -0.03 0.00 0.00 56.01 52.81 3k6k n LEU 253 Cb 0.12 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.45 3k6k n LEU 253 CO 0.28 0.71 0.78 0.25 -1.33 0.00 0.00 177.39 178.08 3k6k h LEU 254 N 3.35 -0.37 -2.13 2.23 5.85 -1.76 -1.28 115.31 121.21 3k6k h LEU 254 Ca 0.13 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.98 3k6k h LEU 254 Cb 2.15 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 43.34 3k6k h LEU 254 CO 0.61 -0.17 0.22 0.28 -0.34 0.00 0.00 178.44 179.04 3k6k h SER 255 N -0.18 0.00 -0.36 1.25 0.02 -1.84 0.24 113.55 112.67 3k6k h SER 255 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3k6k h SER 255 Cb 0.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3k6k h SER 255 CO -0.16 0.00 0.23 0.44 -1.14 0.00 0.00 176.83 176.20 3k6k h ASP 256 N 0.00 0.42 -0.58 3.07 3.45 -1.55 0.47 116.42 121.71 3k6k h ASP 256 Ca 0.12 -0.03 -0.10 0.00 0.43 0.00 0.00 57.03 57.44 3k6k h ASP 256 Cb 0.55 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 39.19 3k6k h ASP 256 CO -0.00 0.33 -0.03 0.28 -1.57 0.00 0.00 179.24 178.25 3k6k h SER 257 N 0.48 1.04 0.60 6.45 0.02 -0.88 -1.30 113.55 119.95 3k6k h SER 257 Ca 0.13 -0.31 -0.28 0.00 -0.84 0.00 0.00 61.79 60.50 3k6k h SER 257 Cb -0.03 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.24 3k6k h SER 257 CO -0.03 1.10 -1.25 0.71 -1.14 0.00 0.00 176.83 176.23 3k6k h THR 258 N 0.95 1.48 -0.28 -2.27 1.35 -0.92 -2.18 112.91 111.04 3k6k h THR 258 Ca 0.16 -3.02 -0.05 0.00 -0.55 0.00 0.00 66.41 62.96 3k6k h THR 258 Cb 0.59 2.93 -0.01 0.00 -1.73 0.00 0.00 68.15 69.93 3k6k h THR 258 CO 0.04 0.88 -0.02 0.74 -0.25 0.00 0.00 175.52 176.91 3k6k h THR 259 N 0.09 1.26 -0.53 6.82 2.02 -0.10 -1.50 112.91 120.96 3k6k h THR 259 Ca -0.14 -0.97 0.03 0.00 0.77 0.00 0.00 66.41 66.09 3k6k h THR 259 Cb 1.97 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 69.68 3k6k h THR 259 CO 0.21 0.31 0.31 0.25 0.37 0.00 0.00 175.52 176.97 3k6k h LEU 260 N 0.29 0.50 -0.48 2.58 6.46 -1.28 0.14 115.31 123.53 3k6k h LEU 260 Ca 0.08 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.91 3k6k h LEU 260 Cb 0.46 -0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 40.23 3k6k h LEU 260 CO 0.02 0.35 0.17 0.00 -0.62 0.00 0.00 178.44 178.36 3k6k h ALA 261 N 1.24 0.58 -0.74 1.25 0.00 -1.20 0.50 119.26 120.89 3k6k h ALA 261 Ca 0.22 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3k6k h ALA 261 Cb 0.03 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3k6k h ALA 261 CO -0.10 -0.22 0.41 1.49 0.00 0.00 0.00 179.25 180.83 3k6k h GLU 262 N 0.35 1.02 0.18 0.00 4.81 -0.20 0.46 114.58 121.20 3k6k h GLU 262 Ca 0.23 -0.11 -0.30 0.00 -0.13 0.00 0.00 59.36 59.04 3k6k h GLU 262 Cb 0.23 -0.20 0.02 0.00 0.63 0.00 0.00 28.75 29.42 3k6k h GLU 262 CO -0.23 0.75 -1.43 0.00 -0.73 0.00 0.00 179.01 177.37 3k6k h ARG 263 N 1.01 0.38 -0.64 1.92 2.47 -0.43 -1.63 114.38 117.46 3k6k h ARG 263 Ca 0.26 -0.65 -0.08 0.00 -1.26 0.00 0.00 59.98 58.25 3k6k h ARG 263 Cb 0.02 0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 3k6k h ARG 263 CO -0.04 1.31 0.08 0.00 0.56 0.00 0.00 179.97 181.87 3k6k h ALA 264 N 0.07 0.85 -0.60 0.04 0.00 0.04 -2.01 119.26 117.66 3k6k h ALA 264 Ca -0.28 -0.28 0.12 0.00 0.00 0.00 0.00 54.91 54.47 3k6k h ALA 264 Cb 1.95 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 19.41 3k6k h ALA 264 CO 0.17 0.64 0.07 0.78 0.00 0.00 0.00 179.25 180.90 3k6k h GLY 265 N 0.99 0.71 2.00 0.00 0.00 -0.10 -1.16 103.07 105.51 3k6k h GLY 265 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3k6k h GLY 265 CO 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.40 3k6k h ALA 266 N 1.51 1.00 -0.34 3.60 0.00 -1.05 -2.21 119.26 121.78 3k6k h ALA 266 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3k6k h ALA 266 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3k6k h ALA 266 CO -0.46 0.00 0.00 0.00 0.00 0.00 0.00 179.25 178.79 3k6k n ALA 267 N -2.07 2.62 -0.71 0.00 0.00 -0.73 -4.91 120.51 114.70 3k6k n ALA 267 Ca 0.02 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3k6k n ALA 267 Cb 0.37 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.82 3k6k n ALA 267 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k6k n GLY 268 N 0.88 0.60 3.90 0.00 0.00 -0.83 -4.16 105.19 105.58 3k6k n GLY 268 Ca 0.12 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3k6k n GLY 268 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k6k s VAL 269 N -2.00 5.31 -0.16 1.61 1.01 -0.52 -4.90 120.40 120.75 3k6k s VAL 269 Ca 0.00 -0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 3k6k s VAL 269 Cb 0.00 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3k6k s VAL 269 CO 0.00 0.18 0.82 -0.55 0.00 0.00 0.00 175.10 175.55 3k6k s SER 270 N -2.25 6.96 -0.07 3.32 0.15 -1.26 -4.24 113.70 116.30 3k6k s SER 270 Ca 0.34 1.18 0.02 0.00 0.70 0.00 0.00 55.95 58.20 3k6k s SER 270 Cb -0.13 -2.45 0.01 0.00 -1.71 0.00 0.00 66.02 61.74 3k6k s SER 270 CO 0.23 -0.38 -0.14 -0.69 1.20 0.00 0.00 173.24 173.47 3k6k s VAL 271 N 2.04 1.28 -0.07 4.45 1.01 -1.26 0.40 120.40 128.24 3k6k s VAL 271 Ca 0.38 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.85 3k6k s VAL 271 Cb -0.17 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.05 3k6k s VAL 271 CO 0.13 0.39 -0.21 -1.61 0.00 0.00 0.00 175.10 173.80 3k6k s GLU 272 N 0.68 2.48 0.02 2.72 2.02 -0.28 -4.96 118.70 121.37 3k6k s GLU 272 Ca -0.14 -0.77 0.05 0.00 0.02 0.00 0.00 54.97 54.13 3k6k s GLU 272 Cb -0.16 -1.99 -0.02 0.00 0.10 0.00 0.00 34.13 32.06 3k6k s GLU 272 CO 0.04 0.22 -0.15 -1.17 0.02 0.00 0.00 175.26 174.22 3k6k s LEU 273 N 0.19 2.13 -0.04 1.80 1.98 -1.26 -0.79 118.68 122.68 3k6k s LEU 273 Ca -0.11 -0.40 -0.00 0.00 -2.89 0.00 0.00 54.13 50.73 3k6k s LEU 273 Cb -0.15 -0.67 0.03 0.00 0.66 0.00 0.00 46.19 46.05 3k6k s LEU 273 CO 0.05 0.09 -0.01 -0.75 -1.89 0.00 0.00 176.35 173.85 3k6k s LYS 274 N -0.89 0.49 -0.18 1.98 2.20 -0.49 -4.97 119.74 117.87 3k6k s LYS 274 Ca 0.03 0.06 -0.07 0.00 -0.36 0.00 0.00 55.97 55.63 3k6k s LYS 274 Cb -0.07 -0.70 -0.04 0.00 -1.51 0.00 0.00 37.83 35.51 3k6k s LYS 274 CO 0.01 -0.18 0.05 0.42 -0.36 0.00 0.00 175.35 175.29 3k6k s ILE 275 N 1.31 4.65 -0.21 5.43 1.01 -1.26 -1.82 121.20 130.32 3k6k s ILE 275 Ca -0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.45 3k6k s ILE 275 Cb -0.13 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 3k6k s ILE 275 CO -0.02 0.46 0.03 0.26 0.00 0.00 0.00 174.94 175.66 3k6k s TRP 276 N 0.45 3.08 0.36 3.97 0.52 0.42 -4.90 118.94 122.84 3k6k s TRP 276 Ca 0.02 -0.35 -0.28 0.00 0.02 0.00 0.00 56.10 55.51 3k6k s TRP 276 Cb -0.13 -2.12 -0.11 0.00 -1.15 0.00 0.00 33.47 29.97 3k6k s TRP 276 CO 0.01 -0.19 1.39 -2.14 0.02 0.00 0.00 176.95 176.03 3k6k s PRO 277 N 1.03 4.22 -1.60 4.98 0.02 -1.26 -1.83 135.00 140.56 3k6k s PRO 277 Ca 0.03 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3k6k s PRO 277 Cb -0.14 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.37 3k6k s PRO 277 CO 0.02 -0.36 0.00 -0.25 -0.33 0.00 0.00 177.00 176.08 3k6k n ASP 278 N 0.61 -4.08 -4.86 2.53 8.00 -1.26 -4.85 116.55 112.64 3k6k n ASP 278 Ca 0.01 0.36 -0.37 0.00 0.71 0.00 0.00 54.79 55.49 3k6k n ASP 278 Cb 0.41 -3.71 -0.06 0.00 -0.02 0.00 0.00 41.12 37.74 3k6k n ASP 278 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3k6k s MET 279 N -3.45 3.69 0.82 -1.24 -1.94 -1.05 -4.79 119.30 111.35 3k6k s MET 279 Ca 0.00 0.16 -0.10 0.00 -1.71 0.00 0.00 55.69 54.04 3k6k s MET 279 Cb 0.00 -3.20 0.13 0.00 2.01 0.00 0.00 34.83 33.77 3k6k s MET 279 CO 0.00 0.73 1.16 -1.25 -0.01 0.00 0.00 175.02 175.65 3k6k s PRO 280 N -1.08 1.47 0.22 2.03 0.04 -1.26 -1.14 135.00 135.27 3k6k s PRO 280 Ca 0.20 -0.41 -0.32 0.00 0.04 0.00 0.00 61.00 60.52 3k6k s PRO 280 Cb -0.14 -2.04 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 3k6k s PRO 280 CO 0.09 -1.79 1.27 1.58 0.04 0.00 0.00 177.00 178.19 3k6k n HIS 281 N -3.30 1.72 -3.87 0.56 -0.00 -1.26 -1.60 115.22 107.47 3k6k n HIS 281 Ca 0.12 0.56 -0.25 0.00 -0.00 0.00 0.00 57.72 58.15 3k6k n HIS 281 Cb 0.60 -2.36 0.00 0.00 -0.00 0.00 0.00 29.99 28.23 3k6k n HIS 281 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3k6k n VAL 282 N 1.57 -1.30 0.33 3.57 0.31 -1.26 -4.75 118.33 116.80 3k6k n VAL 282 Ca 0.13 -0.32 0.20 0.00 -0.01 0.00 0.00 64.34 64.35 3k6k n VAL 282 Cb 0.29 -1.12 1.08 0.00 -0.91 0.00 0.00 33.84 33.18 3k6k n VAL 282 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 3k6k h PHE 283 N -0.11 0.00 0.00 3.52 -5.15 -1.68 -2.59 116.94 110.93 3k6k h PHE 283 Ca -0.39 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.38 3k6k h PHE 283 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.94 3k6k h PHE 283 CO 0.21 0.00 0.00 1.04 -2.00 0.00 0.00 178.31 177.56 3k6k n GLN 284 N -3.10 0.03 0.16 6.09 3.00 -1.26 -0.78 117.38 121.51 3k6k n GLN 284 Ca -0.02 0.31 0.12 0.00 -0.01 0.00 0.00 57.00 57.40 3k6k n GLN 284 Cb 0.17 -1.50 0.28 0.00 0.00 0.00 0.00 30.24 29.19 3k6k n GLN 284 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 3k6k h MET 285 N 0.00 0.00 -0.40 -1.09 2.86 -1.81 -3.40 114.93 111.10 3k6k h MET 285 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3k6k h MET 285 Cb 0.03 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3k6k h MET 285 CO 0.00 0.00 0.03 0.66 1.06 0.00 0.00 176.91 178.66 3k6k n TYR 286 N -2.65 1.41 -0.34 -0.22 0.53 0.04 -4.68 117.16 111.25 3k6k n TYR 286 Ca 0.05 -0.93 0.26 0.00 -1.02 0.00 0.00 57.90 56.25 3k6k n TYR 286 Cb 0.48 -0.42 0.55 0.00 -1.03 0.00 0.00 39.34 38.92 3k6k n TYR 286 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3k6k h GLY 287 N 2.36 1.11 -0.29 2.72 0.00 -1.75 0.47 103.07 107.69 3k6k h GLY 287 Ca 0.05 -0.17 0.22 0.00 0.00 0.00 0.00 47.33 47.43 3k6k h GLY 287 CO 0.36 -0.17 0.32 1.70 0.00 0.00 0.00 176.54 178.76 3k6k h LYS 288 N 0.31 0.30 0.00 4.80 3.64 -1.97 -3.26 116.57 120.39 3k6k h LYS 288 Ca 0.63 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.76 3k6k h LYS 288 Cb 1.75 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.46 3k6k h LYS 288 CO -0.29 0.20 -1.35 1.19 -2.27 0.00 0.00 179.45 176.93 3k6k n PHE 289 N -5.12 0.78 -5.12 1.91 3.01 0.15 -4.82 117.46 108.25 3k6k n PHE 289 Ca 0.21 0.34 -0.32 0.00 1.01 0.00 0.00 57.45 58.69 3k6k n PHE 289 Cb 0.66 -1.00 -0.15 0.00 -0.01 0.00 0.00 39.48 38.97 3k6k n PHE 289 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 3k6k s VAL 290 N -2.39 2.42 0.27 -4.37 -7.23 -0.15 -1.15 120.40 107.79 3k6k s VAL 290 Ca -0.28 -0.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.91 3k6k s VAL 290 Cb 0.07 -1.91 0.21 0.00 0.56 0.00 0.00 36.38 35.31 3k6k s VAL 290 CO 0.50 0.57 1.89 -1.13 -0.31 0.00 0.00 175.10 176.62 3k6k h ASN 291 N 5.92 0.95 -0.85 4.85 -1.24 -1.84 -2.99 115.58 120.37 3k6k h ASN 291 Ca -0.36 -0.09 0.20 0.00 0.71 0.00 0.00 56.30 56.77 3k6k h ASN 291 Cb 1.17 -0.24 -0.06 0.00 0.73 0.00 0.00 38.32 39.92 3k6k h ASN 291 CO 0.49 0.78 0.57 0.00 -1.29 0.00 0.00 177.43 177.98 3k6k h ALA 292 N 1.38 2.30 -0.02 1.57 0.00 -1.95 -2.28 119.26 120.25 3k6k h ALA 292 Ca 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3k6k h ALA 292 Cb 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3k6k h ALA 292 CO -0.04 -0.56 0.01 0.00 0.00 0.00 0.00 179.25 178.66 3k6k h ALA 293 N 1.62 0.03 -0.29 0.00 0.00 -1.79 0.22 119.26 119.04 3k6k h ALA 293 Ca 0.43 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.32 3k6k h ALA 293 Cb 1.18 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 3k6k h ALA 293 CO -0.13 -0.40 -0.13 -0.44 0.00 0.00 0.00 179.25 178.16 3k6k h ASP 294 N -0.12 -0.43 -0.93 0.00 3.45 -1.59 -1.18 116.42 115.62 3k6k h ASP 294 Ca 0.01 0.11 0.05 0.00 0.43 0.00 0.00 57.03 57.63 3k6k h ASP 294 Cb 0.16 0.24 -0.06 0.00 -0.56 0.00 0.00 39.33 39.11 3k6k h ASP 294 CO -0.00 -0.16 0.59 0.40 -1.57 0.00 0.00 179.24 178.50 3k6k h ILE 295 N -0.08 1.10 -0.11 0.35 2.04 -0.99 -0.65 117.51 119.16 3k6k h ILE 295 Ca 0.15 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3k6k h ILE 295 Cb 0.30 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3k6k h ILE 295 CO -0.34 0.20 -0.16 -1.28 0.00 0.00 0.00 178.15 176.57 3k6k h SER 296 N 1.10 0.33 -0.89 1.72 0.87 -0.03 -1.41 113.55 115.25 3k6k h SER 296 Ca 0.39 -0.52 0.08 0.00 -1.23 0.00 0.00 61.79 60.51 3k6k h SER 296 Cb 0.11 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 61.91 3k6k h SER 296 CO -0.15 0.79 0.55 0.40 -0.53 0.00 0.00 176.83 177.88 3k6k h ILE 297 N -0.12 0.99 -0.32 2.23 2.04 -1.06 0.28 117.51 121.54 3k6k h ILE 297 Ca 0.01 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.57 3k6k h ILE 297 Cb 0.72 -0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 3k6k h ILE 297 CO 0.04 0.17 0.14 0.11 0.00 0.00 0.00 178.15 178.61 3k6k h LYS 298 N 0.95 0.30 -0.31 2.37 1.57 -0.95 -0.37 116.57 120.12 3k6k h LYS 298 Ca 0.41 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 59.10 3k6k h LYS 298 Cb 0.28 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3k6k h LYS 298 CO -0.21 0.20 -0.13 0.93 -0.57 0.00 0.00 179.45 179.67 3k6k h GLU 299 N 0.31 0.53 -0.06 3.15 5.08 -0.09 -1.25 114.58 122.24 3k6k h GLU 299 Ca 0.14 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3k6k h GLU 299 Cb 0.07 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3k6k h GLU 299 CO -0.11 0.65 0.01 0.82 -1.00 0.00 0.00 179.01 179.38 3k6k h ILE 300 N 0.49 1.21 -0.57 3.13 2.04 -0.19 0.40 117.51 124.01 3k6k h ILE 300 Ca 0.09 -0.65 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 3k6k h ILE 300 Cb 0.51 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 3k6k h ILE 300 CO 0.03 0.18 0.06 0.00 0.00 0.00 0.00 178.15 178.42 3k6k h HIS 302 N 0.88 0.17 -0.80 0.00 -0.00 -1.11 0.62 115.15 114.91 3k6k h HIS 302 Ca 0.17 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.58 3k6k h HIS 302 Cb 0.44 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.76 3k6k h HIS 302 CO 0.03 0.09 0.53 2.35 -0.00 0.00 0.00 177.93 180.93 3k6k h TRP 303 N 0.21 0.98 0.08 5.26 7.01 -0.17 -2.55 115.95 126.76 3k6k h TRP 303 Ca 0.10 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.12 3k6k h TRP 303 Cb 0.05 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 26.78 3k6k h TRP 303 CO -0.11 0.59 -0.04 0.82 -2.79 0.00 0.00 178.44 176.92 3k6k h ILE 304 N 1.03 1.02 0.00 2.65 2.04 -0.35 -2.77 117.51 121.13 3k6k h ILE 304 Ca 0.31 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 3k6k h ILE 304 Cb -0.04 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3k6k h ILE 304 CO -0.08 0.09 -0.08 0.77 0.00 0.00 0.00 178.15 178.84 3k6k h SER 305 N -0.26 0.00 1.29 1.72 4.64 -0.50 -1.14 113.55 119.31 3k6k h SER 305 Ca -0.01 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.18 3k6k h SER 305 Cb 0.22 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3k6k h SER 305 CO 0.02 0.08 -0.60 0.00 -0.87 0.00 0.00 176.83 175.46 3k6k h ALA 306 N 1.92 0.65 0.00 5.18 0.00 -1.41 -3.00 119.26 122.60 3k6k h ALA 306 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3k6k h ALA 306 Cb 0.31 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3k6k h ALA 306 CO 0.01 0.75 -0.31 0.00 0.00 0.00 0.00 179.25 179.69 3k6k h ARG 307 N 0.00 0.00 0.15 0.00 2.47 -0.93 -3.30 114.38 112.77 3k6k h ARG 307 Ca -0.01 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.48 3k6k h ARG 307 Cb 1.40 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.75 3k6k h ARG 307 CO 0.08 0.08 -1.02 0.82 0.56 0.00 0.00 179.97 180.49 3k6k h ILE 308 N 0.00 1.41 0.00 2.04 2.04 -1.49 -3.49 117.51 118.02 3k6k h ILE 308 Ca -0.01 -2.51 0.00 0.00 1.00 0.00 0.00 64.86 63.34 3k6k h ILE 308 Cb 1.08 3.02 0.00 0.00 -0.74 0.00 0.00 36.82 40.17 3k6k h ILE 308 CO 0.01 0.73 0.00 -1.54 0.00 0.00 0.00 178.15 177.35