#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k84 n GLY 33 N 0.00 0.83 0.05 3.41 0.00 -1.26 -4.85 105.19 103.38 3k84 n GLY 33 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3k84 n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k84 n ARG 34 N -2.16 1.91 -0.06 1.61 5.12 -1.26 -4.58 116.66 117.25 3k84 n ARG 34 Ca 0.00 -1.57 -0.12 0.00 -1.93 0.00 0.00 57.85 54.22 3k84 n ARG 34 Cb 0.01 -1.01 -0.06 0.00 -1.16 0.00 0.00 32.46 30.24 3k84 n ARG 34 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 3k84 h GLN 35 N 0.00 0.35 -0.53 5.56 4.15 -1.89 0.22 115.11 122.98 3k84 h GLN 35 Ca 0.00 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.27 3k84 h GLN 35 Cb 0.76 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.41 3k84 h GLN 35 CO 0.00 0.66 0.35 -0.22 -1.93 0.00 0.00 178.83 177.69 3k84 h LYS 36 N 0.04 0.71 -0.50 1.69 3.64 -1.90 -1.69 116.57 118.56 3k84 h LYS 36 Ca 0.04 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3k84 h LYS 36 Cb 0.55 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3k84 h LYS 36 CO 0.02 0.47 0.32 0.00 -2.27 0.00 0.00 179.45 178.00 3k84 h ALA 37 N 1.19 0.63 -0.34 5.00 0.00 -1.70 -1.66 119.26 122.37 3k84 h ALA 37 Ca 0.19 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3k84 h ALA 37 Cb -0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3k84 h ALA 37 CO -0.04 0.09 -0.06 0.00 0.00 0.00 0.00 179.25 179.23 3k84 h ARG 38 N 0.67 0.55 -0.43 0.00 3.08 -0.42 -2.26 114.38 115.57 3k84 h ARG 38 Ca 0.18 -0.14 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 3k84 h ARG 38 Cb -0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3k84 h ARG 38 CO -0.04 0.62 -0.22 0.78 -1.07 0.00 0.00 179.97 180.04 3k84 h GLY 39 N 0.90 1.00 1.09 0.04 0.00 -1.06 -1.93 103.07 103.11 3k84 h GLY 39 Ca 0.10 -0.91 -0.05 0.00 0.00 0.00 0.00 47.33 46.48 3k84 h GLY 39 CO 0.02 0.82 0.28 0.00 0.00 0.00 0.00 176.54 177.67 3k84 h ALA 40 N 0.83 1.06 -0.36 3.60 0.00 -1.15 -1.76 119.26 121.47 3k84 h ALA 40 Ca 0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3k84 h ALA 40 Cb 0.80 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3k84 h ALA 40 CO 0.07 0.66 -0.08 0.00 0.00 0.00 0.00 179.25 179.89 3k84 h ALA 41 N 1.19 0.50 0.16 0.00 0.00 -1.31 -0.94 119.26 118.86 3k84 h ALA 41 Ca 0.25 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3k84 h ALA 41 Cb 0.24 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3k84 h ALA 41 CO -0.02 0.34 -0.11 1.15 0.00 0.00 0.00 179.25 180.62 3k84 h THR 42 N 0.49 0.76 -0.44 0.00 2.02 -1.21 -0.38 112.91 114.16 3k84 h THR 42 Ca 0.09 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 3k84 h THR 42 Cb 0.59 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3k84 h THR 42 CO 0.03 0.00 0.04 0.03 0.37 0.00 0.00 175.52 176.00 3k84 h ARG 43 N -0.27 0.69 -0.16 6.66 3.08 -1.34 -2.54 114.38 120.51 3k84 h ARG 43 Ca -0.01 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 3k84 h ARG 43 Cb 0.23 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3k84 h ARG 43 CO 0.01 0.68 0.01 0.00 -1.07 0.00 0.00 179.97 179.59 3k84 h ALA 44 N 1.39 0.21 -0.48 0.04 0.00 -0.89 -1.83 119.26 117.70 3k84 h ALA 44 Ca 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3k84 h ALA 44 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3k84 h ALA 44 CO 0.01 -0.10 0.25 0.00 0.00 0.00 0.00 179.25 179.41 3k84 h ARG 45 N 0.03 0.66 -0.33 0.00 3.08 -1.01 -0.84 114.38 115.97 3k84 h ARG 45 Ca 0.05 -0.07 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 3k84 h ARG 45 Cb 0.35 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3k84 h ARG 45 CO 0.01 0.49 -0.42 0.37 -1.07 0.00 0.00 179.97 179.35 3k84 h GLN 46 N 0.67 0.83 -0.66 0.04 5.75 -1.39 -0.73 115.11 119.61 3k84 h GLN 46 Ca 0.17 -0.45 -0.05 0.00 -0.15 0.00 0.00 58.65 58.17 3k84 h GLN 46 Cb 0.03 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 3k84 h GLN 46 CO -0.03 1.09 0.22 0.87 -2.65 0.00 0.00 178.83 178.33 3k84 h LYS 47 N 0.67 1.03 0.35 1.69 1.57 -0.75 -1.18 116.57 119.94 3k84 h LYS 47 Ca 0.05 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3k84 h LYS 47 Cb 1.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3k84 h LYS 47 CO 0.10 0.89 -0.17 0.37 -0.57 0.00 0.00 179.45 180.06 3k84 h GLN 48 N 0.96 -0.46 -0.75 3.15 4.15 -1.10 -0.11 115.11 120.96 3k84 h GLN 48 Ca 0.22 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.80 3k84 h GLN 48 Cb 0.28 0.10 -0.09 0.00 0.21 0.00 0.00 27.48 27.98 3k84 h GLN 48 CO -0.01 -0.23 0.30 -0.09 -1.93 0.00 0.00 178.83 176.87 3k84 h ARG 49 N -0.60 0.43 -0.20 1.69 2.43 -1.10 -0.78 114.38 116.25 3k84 h ARG 49 Ca -0.05 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 58.93 3k84 h ARG 49 Cb 0.44 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3k84 h ARG 49 CO 0.08 0.29 -0.54 0.00 -1.51 0.00 0.00 179.97 178.28 3k84 h ALA 50 N 1.54 0.67 -0.01 2.80 0.00 -1.12 -1.61 119.26 121.52 3k84 h ALA 50 Ca 0.41 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3k84 h ALA 50 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3k84 h ALA 50 CO -0.40 0.69 -0.02 0.77 0.00 0.00 0.00 179.25 180.29 3k84 h SER 51 N 0.47 -0.07 -0.75 0.00 0.02 -0.45 -1.31 113.55 111.45 3k84 h SER 51 Ca 0.01 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3k84 h SER 51 Cb 1.09 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 3k84 h SER 51 CO 0.11 -0.03 0.28 -0.07 -1.14 0.00 0.00 176.83 175.97 3k84 h LEU 52 N -0.03 1.07 -0.63 5.07 3.38 -1.07 -0.23 115.31 122.86 3k84 h LEU 52 Ca 0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3k84 h LEU 52 Cb 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3k84 h LEU 52 CO -0.03 0.96 0.34 -0.08 0.09 0.00 0.00 178.44 179.72 3k84 h GLU 53 N 1.12 0.88 -0.76 1.13 4.57 -1.25 -1.06 114.58 119.22 3k84 h GLU 53 Ca 0.25 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 3k84 h GLU 53 Cb 0.25 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 3k84 h GLU 53 CO -0.02 0.67 0.38 1.15 -1.18 0.00 0.00 179.01 180.02 3k84 h THR 54 N 0.86 1.24 -0.27 0.32 2.02 -0.69 -1.81 112.91 114.58 3k84 h THR 54 Ca 0.22 -0.64 0.01 0.00 0.77 0.00 0.00 66.41 66.77 3k84 h THR 54 Cb 0.05 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 3k84 h THR 54 CO -0.04 0.27 0.16 0.24 0.37 0.00 0.00 175.52 176.53 3k84 h MET 55 N 1.06 0.32 -0.38 6.66 2.86 -0.76 -2.44 114.93 122.25 3k84 h MET 55 Ca 0.26 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.91 3k84 h MET 55 Cb 0.09 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3k84 h MET 55 CO -0.04 0.21 0.20 0.22 1.06 0.00 0.00 176.91 178.57 3k84 h ASP 56 N 0.33 0.31 -0.60 1.22 3.58 -0.85 -1.49 116.42 118.93 3k84 h ASP 56 Ca 0.10 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.50 3k84 h ASP 56 Cb -0.01 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 3k84 h ASP 56 CO -0.04 0.23 0.15 0.11 -2.88 0.00 0.00 179.24 176.80 3k84 h LYS 57 N 0.42 1.00 -0.37 0.28 1.57 -1.28 0.28 116.57 118.47 3k84 h LYS 57 Ca 0.16 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 3k84 h LYS 57 Cb 0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3k84 h LYS 57 CO -0.09 0.89 0.17 0.00 -0.57 0.00 0.00 179.45 179.85 3k84 h ALA 58 N 1.20 0.48 -0.10 3.86 0.00 -1.15 -1.91 119.26 121.64 3k84 h ALA 58 Ca 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3k84 h ALA 58 Cb 0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3k84 h ALA 58 CO 0.00 0.05 0.05 0.28 0.00 0.00 0.00 179.25 179.63 3k84 h VAL 59 N 0.46 1.12 -0.81 0.00 2.07 -1.00 -1.82 116.25 116.28 3k84 h VAL 59 Ca 0.13 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3k84 h VAL 59 Cb 0.14 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 3k84 h VAL 59 CO -0.01 0.11 0.51 1.56 0.02 0.00 0.00 177.57 179.75 3k84 h GLN 60 N 0.03 1.08 -0.55 1.57 1.08 -0.90 -0.90 115.11 116.52 3k84 h GLN 60 Ca 0.03 -0.08 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 3k84 h GLN 60 Cb 0.13 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 3k84 h GLN 60 CO -0.00 0.74 0.20 -0.09 -0.95 0.00 0.00 178.83 178.72 3k84 h ARG 61 N 1.10 0.84 -0.29 1.46 2.43 -1.21 -2.06 114.38 116.64 3k84 h ARG 61 Ca 0.29 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 3k84 h ARG 61 Cb -0.08 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 3k84 h ARG 61 CO -0.06 0.74 -0.08 0.35 -1.51 0.00 0.00 179.97 179.41 3k84 h PHE 62 N 0.76 0.65 -0.84 2.20 3.57 -0.72 -3.07 116.94 119.49 3k84 h PHE 62 Ca 0.18 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 3k84 h PHE 62 Cb 0.23 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 3k84 h PHE 62 CO 0.01 0.77 0.38 0.00 -2.23 0.00 0.00 178.31 177.24 3k84 h ARG 63 N 0.34 1.22 -0.89 1.11 3.08 -1.14 -0.63 114.38 117.46 3k84 h ARG 63 Ca 0.07 -0.19 0.10 0.00 0.07 0.00 0.00 59.98 60.03 3k84 h ARG 63 Cb 0.57 -0.21 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 3k84 h ARG 63 CO 0.03 0.95 0.58 -0.07 -1.07 0.00 0.00 179.97 180.39 3k84 h LEU 64 N 1.20 0.81 0.00 3.04 3.38 -1.35 -2.02 115.31 120.36 3k84 h LEU 64 Ca 0.28 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3k84 h LEU 64 Cb 0.15 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3k84 h LEU 64 CO -0.03 0.47 -0.33 1.56 0.09 0.00 0.00 178.44 180.20 3k84 h GLN 65 N 0.89 0.00 -2.09 1.13 7.50 -1.27 -3.39 115.11 117.88 3k84 h GLN 65 Ca 0.41 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 59.03 3k84 h GLN 65 Cb 0.41 0.00 -0.40 0.00 0.05 0.00 0.00 27.48 27.53 3k84 h GLN 65 CO -0.18 0.00 -1.00 0.09 -1.50 0.00 0.00 178.83 176.24 3k84 n ASN 66 N -2.88 1.86 0.23 1.46 3.02 -0.31 -4.93 115.26 113.70 3k84 n ASN 66 Ca 0.03 -3.16 0.11 0.00 -0.03 0.00 0.00 54.58 51.53 3k84 n ASN 66 Cb 0.53 -0.61 0.51 0.00 -0.61 0.00 0.00 39.78 39.60 3k84 n ASN 66 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3k84 h PRO 67 N 3.26 0.00 -0.03 3.52 0.13 -1.67 -3.14 132.00 134.06 3k84 h PRO 67 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3k84 h PRO 67 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 3k84 h PRO 67 CO 0.60 0.20 0.00 -0.25 -0.23 0.00 0.00 178.00 178.32 3k84 n ASP 68 N -3.41 1.66 -4.69 1.44 8.00 -1.26 -4.92 116.55 113.38 3k84 n ASP 68 Ca -0.00 -1.57 -0.42 0.00 0.71 0.00 0.00 54.79 53.51 3k84 n ASP 68 Cb 0.39 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.46 3k84 n ASP 68 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3k84 s LEU 69 N -1.96 4.31 -0.85 0.64 2.96 -1.19 -4.96 118.68 117.63 3k84 s LEU 69 Ca 0.37 2.07 -0.25 0.00 -0.22 0.00 0.00 54.13 56.09 3k84 s LEU 69 Cb 0.21 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.37 3k84 s LEU 69 CO 0.33 -0.71 1.42 -0.62 -1.32 0.00 0.00 176.35 175.45 3k84 s ASP 70 N 1.88 6.17 0.18 3.68 3.68 -1.26 -4.85 116.67 126.15 3k84 s ASP 70 Ca 0.63 -0.79 0.09 0.00 2.13 0.00 0.00 52.55 54.61 3k84 s ASP 70 Cb -0.30 -2.56 -0.02 0.00 -1.45 0.00 0.00 42.92 38.58 3k84 s ASP 70 CO 0.26 -1.80 1.39 0.77 0.13 0.00 0.00 175.17 175.91 3k84 h SER 71 N 10.36 0.00 -0.57 -0.34 4.64 -1.98 -2.91 113.55 122.75 3k84 h SER 71 Ca -0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 3k84 h SER 71 Cb 1.04 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 3k84 h SER 71 CO 1.33 0.84 0.26 -0.33 -0.87 0.00 0.00 176.83 178.07 3k84 h GLU 72 N 0.00 0.83 -0.20 4.77 3.07 -1.99 -0.36 114.58 120.69 3k84 h GLU 72 Ca -0.01 -0.13 0.04 0.00 -0.50 0.00 0.00 59.36 58.76 3k84 h GLU 72 Cb 1.55 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 29.28 3k84 h GLU 72 CO 0.11 0.68 -0.01 0.00 -1.40 0.00 0.00 179.01 178.39 3k84 h ALA 73 N 1.10 0.16 -0.44 3.43 0.00 -1.96 -2.34 119.26 119.21 3k84 h ALA 73 Ca 0.19 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 3k84 h ALA 73 Cb 0.14 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3k84 h ALA 73 CO -0.02 -0.45 -0.04 1.25 0.00 0.00 0.00 179.25 179.99 3k84 h LEU 74 N 0.04 0.79 -0.87 0.00 6.46 -1.34 -2.88 115.31 117.51 3k84 h LEU 74 Ca 0.09 -0.33 -0.12 0.00 -0.12 0.00 0.00 57.88 57.41 3k84 h LEU 74 Cb 0.13 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 3k84 h LEU 74 CO -0.17 0.93 -0.51 -0.07 -0.62 0.00 0.00 178.44 178.00 3k84 h LEU 75 N 0.63 0.16 -0.24 2.25 3.38 -1.01 -3.04 115.31 117.45 3k84 h LEU 75 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3k84 h LEU 75 Cb 0.55 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3k84 h LEU 75 CO 0.03 0.64 -0.30 0.35 0.09 0.00 0.00 178.44 179.25 3k84 n THR 76 N -3.94 0.00 -1.70 0.22 -2.24 -0.89 -4.86 114.28 100.86 3k84 n THR 76 Ca -0.02 -0.06 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 3k84 n THR 76 Cb 0.54 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 3k84 n THR 76 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3k84 n LEU 77 N -1.07 3.95 -4.73 3.22 4.77 -1.09 -4.97 117.00 117.08 3k84 n LEU 77 Ca 0.10 1.03 -0.40 0.00 -0.03 0.00 0.00 56.01 56.71 3k84 n LEU 77 Cb 0.33 -1.55 0.03 0.00 -2.33 0.00 0.00 43.42 39.90 3k84 n LEU 77 CO 0.29 0.15 0.94 -2.65 -1.33 0.00 0.00 177.39 174.79 3k84 n PRO 78 N 4.61 1.88 -0.26 3.23 -0.02 -1.26 -4.73 135.00 138.45 3k84 n PRO 78 Ca 0.17 0.68 0.07 0.00 -2.02 0.00 0.00 63.50 62.39 3k84 n PRO 78 Cb 0.35 -2.50 0.20 0.00 -0.02 0.00 0.00 33.50 31.53 3k84 n PRO 78 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3k84 h LEU 79 N 1.84 0.10 -1.56 2.45 5.85 -1.93 0.39 115.31 122.45 3k84 h LEU 79 Ca -0.50 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 3k84 h LEU 79 Cb 1.29 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 3k84 h LEU 79 CO 0.59 -0.01 0.26 -0.07 -0.34 0.00 0.00 178.44 178.87 3k84 h LEU 80 N 0.32 0.48 -0.08 2.25 -0.00 -1.95 0.10 115.31 116.44 3k84 h LEU 80 Ca 0.44 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.88 58.21 3k84 h LEU 80 Cb 0.74 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 3k84 h LEU 80 CO -0.49 0.36 -0.28 1.56 -0.00 0.00 0.00 178.44 179.59 3k84 h GLN 81 N 0.56 0.32 -0.40 1.13 7.50 -1.31 -2.43 115.11 120.49 3k84 h GLN 81 Ca 0.15 -0.25 0.08 0.00 0.50 0.00 0.00 58.65 59.14 3k84 h GLN 81 Cb -0.04 0.05 -0.08 0.00 0.05 0.00 0.00 27.48 27.46 3k84 h GLN 81 CO -0.03 0.88 -0.12 1.25 -1.50 0.00 0.00 178.83 179.30 3k84 h LEU 82 N -0.17 -0.44 -0.82 1.46 5.85 -0.85 -0.94 115.31 119.40 3k84 h LEU 82 Ca -0.01 0.13 0.08 0.00 0.84 0.00 0.00 57.88 58.92 3k84 h LEU 82 Cb 0.91 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.15 3k84 h LEU 82 CO 0.06 -0.16 0.47 0.58 -0.34 0.00 0.00 178.44 179.06 3k84 h VAL 83 N -0.03 0.94 -0.44 1.05 2.07 -0.84 -0.38 116.25 118.62 3k84 h VAL 83 Ca 0.19 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 3k84 h VAL 83 Cb 0.33 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 3k84 h VAL 83 CO -0.43 0.15 0.02 -0.61 0.02 0.00 0.00 177.57 176.73 3k84 h GLN 84 N 0.82 0.76 0.00 1.57 -0.00 -0.82 -0.10 115.11 117.34 3k84 h GLN 84 Ca 0.38 -0.23 -0.10 0.00 -0.00 0.00 0.00 58.65 58.71 3k84 h GLN 84 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.70 3k84 h GLN 84 CO -0.23 0.81 -0.47 0.87 0.00 0.00 0.00 178.83 179.82 3k84 h LYS 85 N 0.61 0.00 -0.14 1.69 1.57 -0.88 -0.69 116.57 118.72 3k84 h LYS 85 Ca 0.13 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.76 3k84 h LYS 85 Cb 0.46 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.77 3k84 h LYS 85 CO 0.02 0.47 -0.49 -0.07 -0.57 0.00 0.00 179.45 178.80 3k84 h LEU 86 N 0.00 0.67 -1.06 2.94 3.38 -0.89 0.26 115.31 120.62 3k84 h LEU 86 Ca -0.00 -0.61 -0.09 0.00 0.09 0.00 0.00 57.88 57.27 3k84 h LEU 86 Cb 0.99 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3k84 h LEU 86 CO 0.06 1.17 -0.28 -0.61 0.09 0.00 0.00 178.44 178.87 3k84 h GLN 87 N 0.22 0.33 0.00 1.13 5.75 -0.86 -2.99 115.11 118.70 3k84 h GLN 87 Ca -0.02 -0.12 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 3k84 h GLN 87 Cb 1.12 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.65 3k84 h GLN 87 CO 0.10 0.58 -0.32 0.66 -2.65 0.00 0.00 178.83 177.20 3k84 h SER 88 N 0.29 0.00 0.00 -0.69 4.64 -1.18 -3.48 113.55 113.13 3k84 h SER 88 Ca 0.04 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3k84 h SER 88 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3k84 h SER 88 CO 0.05 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 3k84 n GLY 89 N 1.20 0.77 0.16 -0.77 0.00 -0.92 -4.96 105.19 100.68 3k84 n GLY 89 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 3k84 n GLY 89 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3k84 h GLU 90 N 3.14 0.30 -6.45 1.61 4.81 -1.27 -3.42 114.58 113.31 3k84 h GLU 90 Ca 0.00 -0.25 -0.69 0.00 -0.13 0.00 0.00 59.36 58.29 3k84 h GLU 90 Cb 0.00 0.05 -0.24 0.00 0.63 0.00 0.00 28.75 29.19 3k84 h GLU 90 CO 0.00 0.90 -0.80 -0.51 -0.73 0.00 0.00 179.01 177.87 3k84 s LEU 91 N -7.83 2.57 0.34 1.64 1.43 -0.54 -5.02 118.68 111.27 3k84 s LEU 91 Ca -0.04 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.64 3k84 s LEU 91 Cb 0.11 -1.50 -0.07 0.00 0.03 0.00 0.00 46.19 44.75 3k84 s LEU 91 CO 0.82 0.32 0.69 -0.94 0.23 0.00 0.00 176.35 177.48 3k84 s SER 92 N -0.89 6.60 0.48 2.29 1.04 -1.26 -4.25 113.70 117.71 3k84 s SER 92 Ca 0.12 1.09 0.15 0.00 0.48 0.00 0.00 55.95 57.78 3k84 s SER 92 Cb -0.10 -2.30 1.14 0.00 0.10 0.00 0.00 66.02 64.86 3k84 s SER 92 CO 0.01 -0.26 2.09 -0.65 0.98 0.00 0.00 173.24 175.41 3k84 h PRO 93 N 1.82 0.05 -0.24 4.02 0.11 -1.92 -2.53 132.00 133.32 3k84 h PRO 93 Ca -0.47 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 3k84 h PRO 93 Cb 1.18 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3k84 h PRO 93 CO 0.65 0.10 -0.08 0.93 -0.21 0.00 0.00 178.00 179.40 3k84 h GLU 94 N 0.05 0.47 -0.31 1.05 3.07 -1.93 0.24 114.58 117.23 3k84 h GLU 94 Ca 0.01 -0.19 0.05 0.00 -0.50 0.00 0.00 59.36 58.73 3k84 h GLU 94 Cb 0.10 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 3k84 h GLU 94 CO 0.01 0.71 0.05 0.00 -1.40 0.00 0.00 179.01 178.38 3k84 h ALA 95 N 0.74 0.31 -0.35 3.43 0.00 -1.88 -1.27 119.26 120.25 3k84 h ALA 95 Ca 0.06 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3k84 h ALA 95 Cb 0.55 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3k84 h ALA 95 CO 0.03 -0.36 -0.07 0.28 0.00 0.00 0.00 179.25 179.12 3k84 h VAL 96 N 0.16 1.28 0.77 0.00 2.07 -1.41 -2.13 116.25 116.98 3k84 h VAL 96 Ca 0.14 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 3k84 h VAL 96 Cb 0.16 1.29 0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3k84 h VAL 96 CO -0.20 0.37 -0.37 0.15 0.02 0.00 0.00 177.57 177.54 3k84 h PHE 97 N 0.47 -0.96 -0.06 1.57 3.04 -0.71 -1.82 116.94 118.47 3k84 h PHE 97 Ca 0.09 -0.02 -0.10 0.00 3.98 0.00 0.00 57.97 61.91 3k84 h PHE 97 Cb 0.57 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.39 3k84 h PHE 97 CO 0.05 -0.58 -0.44 0.74 -2.02 0.00 0.00 178.31 176.06 3k84 h PHE 98 N -1.09 0.15 -0.13 0.41 0.04 -1.31 0.12 116.94 115.12 3k84 h PHE 98 Ca -0.11 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 3k84 h PHE 98 Cb 0.80 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 3k84 h PHE 98 CO -0.01 0.55 0.05 1.15 -0.60 0.00 0.00 178.31 179.45 3k84 h THR 99 N 0.11 1.16 -0.49 -1.55 2.02 -1.42 -1.52 112.91 111.22 3k84 h THR 99 Ca 0.01 -0.48 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 3k84 h THR 99 Cb 0.83 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3k84 h THR 99 CO 0.06 0.15 0.03 1.88 0.37 0.00 0.00 175.52 178.01 3k84 h TYR 100 N 0.05 0.83 -0.61 3.16 0.05 -1.07 -2.28 116.97 117.11 3k84 h TYR 100 Ca 0.04 -0.10 -0.02 0.00 0.05 0.00 0.00 58.73 58.70 3k84 h TYR 100 Cb 0.18 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 3k84 h TYR 100 CO -0.01 0.75 0.30 1.25 -1.05 0.00 0.00 178.16 179.40 3k84 h LEU 101 N 0.75 0.79 -0.34 3.88 5.85 -0.68 0.69 115.31 126.24 3k84 h LEU 101 Ca 0.15 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3k84 h LEU 101 Cb 0.40 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3k84 h LEU 101 CO 0.01 0.69 0.10 1.23 -0.34 0.00 0.00 178.44 180.13 3k84 h GLY 102 N 0.83 0.58 1.01 3.75 0.00 -1.15 -1.09 103.07 106.99 3k84 h GLY 102 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3k84 h GLY 102 CO -0.03 0.33 0.45 1.70 0.00 0.00 0.00 176.54 178.99 3k84 h LYS 103 N 0.40 1.03 -0.17 4.80 1.63 -1.24 -1.37 116.57 121.64 3k84 h LYS 103 Ca 0.11 -0.10 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 3k84 h LYS 103 Cb 0.27 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 3k84 h LYS 103 CO -0.00 0.73 0.03 0.00 -3.45 0.00 0.00 179.45 176.75 3k84 h ALA 104 N 1.24 0.17 -0.79 5.00 0.00 -0.60 -0.79 119.26 123.47 3k84 h ALA 104 Ca 0.27 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.25 3k84 h ALA 104 Cb -0.03 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3k84 h ALA 104 CO -0.05 -0.41 0.50 2.35 0.00 0.00 0.00 179.25 181.64 3k84 h TRP 105 N 0.09 0.94 0.05 0.00 7.01 -1.03 -1.71 115.95 121.30 3k84 h TRP 105 Ca 0.08 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 3k84 h TRP 105 Cb 0.08 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 26.83 3k84 h TRP 105 CO -0.14 0.53 -0.02 0.93 -2.79 0.00 0.00 178.44 176.94 3k84 h GLU 106 N 0.97 -0.06 -0.04 2.65 5.08 -0.91 -3.16 114.58 119.11 3k84 h GLU 106 Ca 0.32 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.62 3k84 h GLU 106 Cb 0.04 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3k84 h GLU 106 CO -0.12 0.22 -0.31 -0.39 -1.00 0.00 0.00 179.01 177.41 3k84 h VAL 107 N -0.34 1.24 -0.37 3.13 -1.51 -1.11 -2.42 116.25 114.86 3k84 h VAL 107 Ca -0.01 -1.12 0.11 0.00 -1.23 0.00 0.00 66.70 64.45 3k84 h VAL 107 Cb 0.31 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 31.01 3k84 h VAL 107 CO 0.01 0.32 0.27 -1.13 -1.23 0.00 0.00 177.57 175.82 3k84 h ASN 108 N 0.06 0.00 -0.93 4.19 -1.24 -1.28 -2.61 115.58 113.77 3k84 h ASN 108 Ca 0.01 0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.10 3k84 h ASN 108 Cb 0.58 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.55 3k84 h ASN 108 CO 0.04 0.00 0.58 0.11 -1.29 0.00 0.00 177.43 176.87 3k84 h LYS 109 N 0.00 0.98 0.00 6.67 1.57 -1.44 0.19 116.57 124.54 3k84 h LYS 109 Ca 0.18 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3k84 h LYS 109 Cb 0.72 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3k84 h LYS 109 CO -0.00 0.65 -0.81 0.41 -0.57 0.00 0.00 179.45 179.13 3k84 n GLY 110 N -1.34 -1.13 0.00 3.86 0.00 -1.01 -4.55 105.19 101.02 3k84 n GLY 110 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3k84 n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k84 n THR 111 N -1.57 0.00 -3.80 2.61 -2.24 -1.04 -4.73 114.28 103.51 3k84 n THR 111 Ca 0.04 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.54 3k84 n THR 111 Cb 0.35 -0.16 0.02 0.00 -2.10 0.00 0.00 70.33 68.44 3k84 n THR 111 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3k84 n ASN 112 N -1.57 -2.74 0.01 3.42 5.15 0.66 -0.66 115.26 119.52 3k84 n ASN 112 Ca 0.00 -0.99 0.11 0.00 -0.60 0.00 0.00 54.58 53.10 3k84 n ASN 112 Cb 0.20 -3.32 -0.12 0.00 -0.53 0.00 0.00 39.78 36.01 3k84 n ASN 112 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k84 s VAL 114 N -3.43 5.35 -0.14 0.00 1.01 -1.26 0.12 120.40 122.05 3k84 s VAL 114 Ca -0.05 0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.24 3k84 s VAL 114 Cb 0.13 -3.52 -0.23 0.00 0.00 0.00 0.00 36.38 32.76 3k84 s VAL 114 CO 0.88 0.33 0.30 0.35 0.00 0.00 0.00 175.10 176.96 3k84 n THR 115 N 4.37 1.56 -3.69 3.92 -2.24 -0.52 -4.87 114.28 112.80 3k84 n THR 115 Ca -0.14 -0.76 -0.13 0.00 -2.27 0.00 0.00 64.05 60.75 3k84 n THR 115 Cb 0.52 -1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 67.62 3k84 n THR 115 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3k84 s SER 116 N -6.13 -0.56 -0.19 3.42 0.15 -1.19 -4.13 113.70 105.08 3k84 s SER 116 Ca -0.14 1.05 -0.20 0.00 0.70 0.00 0.00 55.95 57.36 3k84 s SER 116 Cb 0.07 1.05 -0.03 0.00 -1.71 0.00 0.00 66.02 65.40 3k84 s SER 116 CO 0.79 -0.18 0.60 -0.47 1.20 0.00 0.00 173.24 175.17 3k84 s TYR 117 N 0.46 3.39 -1.30 3.44 6.04 -1.26 -1.08 117.35 127.04 3k84 s TYR 117 Ca -0.02 0.91 -0.18 0.00 0.04 0.00 0.00 57.07 57.82 3k84 s TYR 117 Cb -0.04 -2.76 0.07 0.00 -1.04 0.00 0.00 41.96 38.19 3k84 s TYR 117 CO -0.02 -0.13 1.74 1.28 -1.54 0.00 0.00 175.55 176.88 3k84 n LEU 118 N 4.88 4.99 -0.29 6.97 4.77 -0.21 -4.82 117.00 133.30 3k84 n LEU 118 Ca -0.02 -3.94 0.34 0.00 -0.03 0.00 0.00 56.01 52.35 3k84 n LEU 118 Cb 0.50 -1.74 0.75 0.00 -2.33 0.00 0.00 43.42 40.59 3k84 n LEU 118 CO 0.44 0.19 1.31 0.74 -1.33 0.00 0.00 177.39 178.74 3k84 h THR 119 N 5.51 0.44 -0.22 -5.08 2.02 -1.94 -1.22 112.91 112.40 3k84 h THR 119 Ca 0.45 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.69 3k84 h THR 119 Cb 0.87 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3k84 h THR 119 CO 1.46 0.00 0.47 0.44 0.37 0.00 0.00 175.52 178.26 3k84 h ASP 120 N 0.00 0.00 0.64 4.18 3.45 -1.95 -3.32 116.42 119.43 3k84 h ASP 120 Ca 0.54 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.00 3k84 h ASP 120 Cb 2.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.93 3k84 h ASP 120 CO -0.01 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.66 3k84 h GLU 122 N 0.00 0.08 -0.08 0.00 5.08 -1.85 -1.37 114.58 116.45 3k84 h GLU 122 Ca 0.00 -0.14 -0.23 0.00 -1.00 0.00 0.00 59.36 57.99 3k84 h GLU 122 Cb 0.32 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.63 3k84 h GLU 122 CO 0.00 0.96 -0.86 1.79 -1.00 0.00 0.00 179.01 179.90 3k84 h THR 123 N 0.02 1.32 -0.53 1.13 1.35 -1.76 -3.15 112.91 111.28 3k84 h THR 123 Ca -0.12 -2.15 -0.06 0.00 -0.55 0.00 0.00 66.41 63.53 3k84 h THR 123 Cb 1.89 2.17 -0.02 0.00 -1.73 0.00 0.00 68.15 70.45 3k84 h THR 123 CO 0.14 0.66 0.09 -0.61 -0.25 0.00 0.00 175.52 175.55 3k84 h GLN 124 N 0.41 0.83 -0.76 4.72 5.75 -1.59 -2.73 115.11 121.73 3k84 h GLN 124 Ca -0.07 -0.19 0.11 0.00 -0.15 0.00 0.00 58.65 58.35 3k84 h GLN 124 Cb 1.49 -0.12 -0.08 0.00 1.07 0.00 0.00 27.48 29.84 3k84 h GLN 124 CO 0.17 0.78 0.39 1.25 -2.65 0.00 0.00 178.83 178.76 3k84 h LEU 125 N 0.79 0.50 -0.60 -2.39 6.46 -1.24 -0.23 115.31 118.59 3k84 h LEU 125 Ca 0.17 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 3k84 h LEU 125 Cb 0.35 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 3k84 h LEU 125 CO 0.01 0.26 -0.02 -1.54 -0.62 0.00 0.00 178.44 176.53 3k84 n SER 126 N -4.85 0.96 -0.24 1.25 3.41 -1.09 -3.70 113.62 109.36 3k84 n SER 126 Ca 0.13 -1.24 0.03 0.00 -0.26 0.00 0.00 58.87 57.53 3k84 n SER 126 Cb 0.32 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.30 3k84 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k84 n GLN 127 N -0.30 0.40 -1.65 4.33 6.02 -0.47 -5.03 117.38 120.67 3k84 n GLN 127 Ca 0.20 -1.01 -0.44 0.00 -0.01 0.00 0.00 57.00 55.73 3k84 n GLN 127 Cb 0.28 -1.11 -0.04 0.00 1.02 0.00 0.00 30.24 30.39 3k84 n GLN 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k84 n ALA 128 N 0.24 1.39 -1.62 -1.58 0.00 -0.22 -4.88 120.51 113.83 3k84 n ALA 128 Ca 0.04 0.15 -0.51 0.00 0.00 0.00 0.00 53.44 53.11 3k84 n ALA 128 Cb 0.18 -2.66 -0.06 0.00 0.00 0.00 0.00 19.45 16.91 3k84 n ALA 128 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3k84 n PRO 129 N 7.50 1.35 0.09 0.00 -0.02 -1.26 -4.88 135.00 137.78 3k84 n PRO 129 Ca 0.23 0.49 -0.07 0.00 -2.02 0.00 0.00 63.50 62.13 3k84 n PRO 129 Cb 0.37 -2.16 0.04 0.00 -0.02 0.00 0.00 33.50 31.73 3k84 n PRO 129 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3k84 h ARG 130 N 5.21 0.19 -0.39 -0.52 9.65 -1.95 -2.33 114.38 124.25 3k84 h ARG 130 Ca -0.47 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.23 3k84 h ARG 130 Cb 1.32 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.94 3k84 h ARG 130 CO 0.82 0.87 0.00 1.04 2.80 0.00 0.00 179.97 185.50 3k84 n GLN 131 N -3.73 1.95 -1.86 0.20 3.00 -1.26 -4.89 117.38 110.79 3k84 n GLN 131 Ca -0.03 -1.47 -0.39 0.00 -0.01 0.00 0.00 57.00 55.10 3k84 n GLN 131 Cb 0.73 -1.33 0.02 0.00 0.00 0.00 0.00 30.24 29.67 3k84 n GLN 131 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3k84 s GLY 132 N -1.06 2.89 0.49 1.08 0.00 -0.87 -4.92 107.32 104.94 3k84 s GLY 132 Ca 0.28 1.33 0.29 0.00 0.00 0.00 0.00 44.72 46.62 3k84 s GLY 132 CO 0.20 1.89 1.89 1.41 0.00 0.00 0.00 173.10 178.48 3k84 h LEU 133 N 1.94 0.00 -3.34 0.66 3.38 -1.85 -2.53 115.31 113.57 3k84 h LEU 133 Ca -0.51 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.33 3k84 h LEU 133 Cb 1.28 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.95 3k84 h LEU 133 CO 0.59 0.10 -0.03 0.18 0.09 0.00 0.00 178.44 179.38 3k84 n LEU 134 N -3.23 4.11 -4.67 1.67 4.77 -0.01 -5.05 117.00 114.60 3k84 n LEU 134 Ca 0.01 -3.54 -0.53 0.00 -0.03 0.00 0.00 56.01 51.92 3k84 n LEU 134 Cb 0.38 -0.61 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 3k84 n LEU 134 CO 0.30 1.07 1.22 0.00 -1.33 0.00 0.00 177.39 178.66 3k84 n TYR 135 N -0.96 1.98 -0.93 -1.77 4.19 -0.96 -1.24 117.16 117.47 3k84 n TYR 135 Ca 0.30 0.43 0.00 0.00 3.31 0.00 0.00 57.90 61.94 3k84 n TYR 135 Cb 1.01 -2.47 0.00 0.00 0.49 0.00 0.00 39.34 38.37 3k84 n TYR 135 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3k84 n GLY 136 N 3.68 0.64 3.63 2.98 0.00 -0.36 -4.71 105.19 111.05 3k84 n GLY 136 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3k84 n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k84 s VAL 137 N -2.76 4.85 0.12 1.61 1.01 -0.37 -4.68 120.40 120.18 3k84 s VAL 137 Ca 0.00 1.38 -0.31 0.00 0.00 0.00 0.00 61.98 63.06 3k84 s VAL 137 Cb 0.00 -4.09 -0.08 0.00 0.00 0.00 0.00 36.38 32.22 3k84 s VAL 137 CO 0.00 -0.10 1.32 -2.84 0.00 0.00 0.00 175.10 173.48 3k84 s PRO 138 N 2.81 4.37 -0.04 2.72 0.02 -1.26 -0.10 135.00 143.51 3k84 s PRO 138 Ca 0.32 1.99 0.04 0.00 0.02 0.00 0.00 61.00 63.38 3k84 s PRO 138 Cb -0.15 -3.26 -0.00 0.00 0.02 0.00 0.00 34.50 31.11 3k84 s PRO 138 CO 0.09 -0.33 -0.17 0.08 -0.33 0.00 0.00 177.00 176.33 3k84 s VAL 139 N 0.80 1.45 0.10 3.83 1.01 -0.68 -4.29 120.40 122.63 3k84 s VAL 139 Ca 0.61 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 3k84 s VAL 139 Cb -0.35 -1.25 -0.06 0.00 0.00 0.00 0.00 36.38 34.73 3k84 s VAL 139 CO 0.32 0.42 0.37 -0.94 0.00 0.00 0.00 175.10 175.27 3k84 s SER 140 N 0.01 6.56 -0.08 3.32 1.04 -0.56 -1.55 113.70 122.43 3k84 s SER 140 Ca -0.03 0.67 0.03 0.00 0.48 0.00 0.00 55.95 57.10 3k84 s SER 140 Cb -0.11 -2.13 0.01 0.00 0.10 0.00 0.00 66.02 63.88 3k84 s SER 140 CO 0.02 0.13 -0.18 -0.76 0.98 0.00 0.00 173.24 173.43 3k84 s LEU 141 N -2.22 1.87 0.33 2.42 1.43 -0.34 -2.01 118.68 120.17 3k84 s LEU 141 Ca 0.36 -0.44 -0.28 0.00 -1.03 0.00 0.00 54.13 52.74 3k84 s LEU 141 Cb -0.13 -1.13 -0.13 0.00 0.03 0.00 0.00 46.19 44.83 3k84 s LEU 141 CO 0.21 0.10 1.23 1.17 0.23 0.00 0.00 176.35 179.28 3k84 n LYS 142 N 3.67 1.96 0.32 1.70 4.81 -0.97 -0.74 118.16 128.90 3k84 n LYS 142 Ca -0.21 0.69 0.18 0.00 -0.87 0.00 0.00 58.31 58.10 3k84 n LYS 142 Cb 0.52 -2.23 0.96 0.00 0.02 0.00 0.00 35.03 34.31 3k84 n LYS 142 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3k84 h GLU 143 N 2.42 0.00 0.00 1.64 4.81 -1.78 -0.61 114.58 121.06 3k84 h GLU 143 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3k84 h GLU 143 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3k84 h GLU 143 CO 0.62 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.90 3k84 s PHE 145 N -3.02 2.34 0.32 0.00 0.40 -0.24 -0.63 117.98 117.16 3k84 s PHE 145 Ca 0.13 0.55 -0.29 0.00 -0.60 0.00 0.00 56.93 56.72 3k84 s PHE 145 Cb 0.18 -4.37 -0.12 0.00 0.51 0.00 0.00 43.02 39.22 3k84 s PHE 145 CO 0.54 -1.94 1.54 0.43 0.70 0.00 0.00 175.22 176.49 3k84 n SER 146 N 9.28 3.76 -3.78 1.36 7.64 -1.22 -4.88 113.62 125.77 3k84 n SER 146 Ca 0.14 1.18 -0.20 0.00 1.01 0.00 0.00 58.87 61.00 3k84 n SER 146 Cb 0.49 -1.59 -0.17 0.00 -1.01 0.00 0.00 64.21 61.92 3k84 n SER 146 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3k84 s TYR 147 N -0.44 0.43 0.05 1.43 5.04 -1.26 -1.27 117.35 121.33 3k84 s TYR 147 Ca 0.60 -0.03 -0.36 0.00 -2.44 0.00 0.00 57.07 54.84 3k84 s TYR 147 Cb -0.50 -0.58 -0.16 0.00 0.35 0.00 0.00 41.96 41.08 3k84 s TYR 147 CO 0.54 -0.21 1.48 1.17 -1.34 0.00 0.00 175.55 177.19 3k84 n LYS 148 N 4.69 1.45 -0.47 4.97 4.81 -1.25 -1.71 118.16 130.66 3k84 n LYS 148 Ca -0.15 0.53 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 3k84 n LYS 148 Cb 0.50 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.34 3k84 n LYS 148 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k84 n GLY 149 N 3.07 1.18 3.40 3.14 0.00 0.39 -4.94 105.19 111.43 3k84 n GLY 149 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 3k84 n GLY 149 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k84 s HIS 150 N -3.13 2.46 0.45 1.61 3.76 -0.69 -4.72 115.29 115.02 3k84 s HIS 150 Ca 0.00 -0.33 -0.24 0.00 -0.15 0.00 0.00 55.06 54.34 3k84 s HIS 150 Cb 0.00 -1.46 -0.08 0.00 1.11 0.00 0.00 32.58 32.16 3k84 s HIS 150 CO 0.00 0.16 1.26 -0.51 -0.85 0.00 0.00 174.74 174.81 3k84 s ASP 151 N -1.20 6.09 -0.72 1.40 -0.00 -1.26 -0.38 116.67 120.60 3k84 s ASP 151 Ca 0.13 2.55 0.01 0.00 -0.00 0.00 0.00 52.55 55.24 3k84 s ASP 151 Cb -0.10 -2.63 0.18 0.00 -0.00 0.00 0.00 42.92 40.37 3k84 s ASP 151 CO 0.03 -0.99 0.54 -0.44 -0.00 0.00 0.00 175.17 174.30 3k84 s SER 152 N -0.99 5.21 0.21 0.27 0.01 -1.26 -4.92 113.70 112.22 3k84 s SER 152 Ca 0.62 -3.48 -0.02 0.00 1.31 0.00 0.00 55.95 54.37 3k84 s SER 152 Cb -0.35 -1.77 0.18 0.00 0.21 0.00 0.00 66.02 64.28 3k84 s SER 152 CO 0.44 -0.20 1.56 0.71 0.41 0.00 0.00 173.24 176.16 3k84 h THR 153 N 4.64 1.31 -1.12 1.44 1.35 -1.84 -3.47 112.91 115.22 3k84 h THR 153 Ca 0.08 -1.64 -0.41 0.00 -0.55 0.00 0.00 66.41 63.89 3k84 h THR 153 Cb 0.83 1.62 -0.15 0.00 -1.73 0.00 0.00 68.15 68.72 3k84 h THR 153 CO 0.76 0.52 -0.39 0.18 -0.25 0.00 0.00 175.52 176.33 3k84 n LEU 154 N -4.01 -1.51 0.00 3.87 4.77 -1.26 -1.82 117.00 117.04 3k84 n LEU 154 Ca -0.02 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3k84 n LEU 154 Cb 0.54 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.83 3k84 n LEU 154 CO 0.46 -0.99 0.00 0.61 -1.33 0.00 0.00 177.39 176.13 3k84 n GLY 155 N -0.53 0.60 3.82 -0.72 0.00 -1.26 -0.10 105.19 107.00 3k84 n GLY 155 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 3k84 n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k84 s LEU 156 N 0.00 4.32 0.24 0.99 1.43 -0.76 -4.25 118.68 120.65 3k84 s LEU 156 Ca 0.00 0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 53.41 3k84 s LEU 156 Cb 0.00 -2.09 0.24 0.00 0.03 0.00 0.00 46.19 44.37 3k84 s LEU 156 CO 0.00 0.32 1.92 -1.28 0.23 0.00 0.00 176.35 177.53 3k84 h SER 157 N 5.65 1.09 0.26 2.29 0.87 -1.86 -2.60 113.55 119.24 3k84 h SER 157 Ca -0.49 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 3k84 h SER 157 Cb 1.20 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 3k84 h SER 157 CO 0.65 0.78 0.00 0.17 -0.53 0.00 0.00 176.83 177.91 3k84 h LEU 158 N 1.28 0.00 -2.51 2.23 -0.00 -1.92 -2.04 115.31 112.35 3k84 h LEU 158 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.23 3k84 h LEU 158 Cb -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.52 3k84 h LEU 158 CO -0.08 0.00 0.00 0.59 -0.00 0.00 0.00 178.44 178.95 3k84 n ASN 159 N -2.96 3.66 -4.82 0.17 3.02 -0.98 -4.93 115.26 108.43 3k84 n ASN 159 Ca -0.02 -2.00 -0.38 0.00 -0.03 0.00 0.00 54.58 52.16 3k84 n ASN 159 Cb 0.13 -0.43 -0.06 0.00 -0.61 0.00 0.00 39.78 38.80 3k84 n ASN 159 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3k84 s GLU 160 N -1.14 4.14 -1.20 3.52 -6.30 -0.77 -3.78 118.70 113.17 3k84 s GLU 160 Ca 0.45 0.68 0.00 0.00 -2.50 0.00 0.00 54.97 53.60 3k84 s GLU 160 Cb 0.24 -3.13 0.00 0.00 0.00 0.00 0.00 34.13 31.24 3k84 s GLU 160 CO 0.32 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.59 3k84 n GLY 161 N 1.41 0.18 2.53 -1.50 0.00 -1.26 -4.96 105.19 101.58 3k84 n GLY 161 Ca -0.09 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 3k84 n GLY 161 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3k84 n MET 162 N -2.36 1.70 -2.34 1.61 2.81 -1.25 -5.10 117.12 112.20 3k84 n MET 162 Ca -0.15 -4.18 -0.37 0.00 -1.81 0.00 0.00 57.70 51.18 3k84 n MET 162 Cb 0.58 -2.02 -0.02 0.00 -0.71 0.00 0.00 33.22 31.05 3k84 n MET 162 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3k84 s PRO 163 N -1.62 3.96 0.21 0.03 0.04 -1.26 -4.42 135.00 131.93 3k84 s PRO 163 Ca 0.34 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.81 3k84 s PRO 163 Cb 0.08 -2.54 -0.09 0.00 0.04 0.00 0.00 34.50 32.00 3k84 s PRO 163 CO -0.10 -0.37 1.23 0.45 0.04 0.00 0.00 177.00 178.25 3k84 s SER 164 N -1.33 7.02 0.22 6.66 0.15 0.49 -4.81 113.70 122.10 3k84 s SER 164 Ca 0.60 2.32 0.25 0.00 0.70 0.00 0.00 55.95 59.82 3k84 s SER 164 Cb -0.28 -2.61 0.87 0.00 -1.71 0.00 0.00 66.02 62.29 3k84 s SER 164 CO 0.34 -0.42 1.76 -0.62 1.20 0.00 0.00 173.24 175.51 3k84 n GLU 165 N 2.33 0.24 -3.50 5.44 1.02 -1.26 -0.47 120.64 124.45 3k84 n GLU 165 Ca 0.04 0.28 -0.10 0.00 -0.02 0.00 0.00 57.16 57.36 3k84 n GLU 165 Cb 0.44 -1.82 -0.02 0.00 -0.02 0.00 0.00 31.44 30.01 3k84 n GLU 165 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3k84 s SER 166 N -4.44 -0.46 0.46 1.62 1.04 -1.26 -4.80 113.70 105.85 3k84 s SER 166 Ca 0.09 -0.07 -0.24 0.00 0.48 0.00 0.00 55.95 56.21 3k84 s SER 166 Cb 0.11 0.53 -0.07 0.00 0.10 0.00 0.00 66.02 66.70 3k84 s SER 166 CO 0.53 -0.88 1.29 -1.81 0.98 0.00 0.00 173.24 173.35 3k84 s ASP 167 N -2.69 5.99 0.91 7.02 -0.00 -1.26 -3.80 116.67 122.85 3k84 s ASP 167 Ca 0.04 2.61 -0.12 0.00 -0.00 0.00 0.00 52.55 55.08 3k84 s ASP 167 Cb -0.01 -2.63 0.14 0.00 -0.00 0.00 0.00 42.92 40.41 3k84 s ASP 167 CO -0.09 -1.07 1.10 0.00 -0.00 0.00 0.00 175.17 175.10 3k84 h VAL 169 N -1.58 0.97 -0.33 0.00 2.07 -1.86 -1.01 116.25 114.50 3k84 h VAL 169 Ca -0.51 -0.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 3k84 h VAL 169 Cb 1.30 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3k84 h VAL 169 CO 0.57 0.08 -0.16 -0.37 0.02 0.00 0.00 177.57 177.71 3k84 h VAL 170 N 0.46 1.25 -0.51 2.57 -1.51 -1.81 -0.92 116.25 115.78 3k84 h VAL 170 Ca 0.20 -1.15 -0.02 0.00 -1.23 0.00 0.00 66.70 64.50 3k84 h VAL 170 Cb 0.10 1.17 -0.02 0.00 -2.13 0.00 0.00 31.29 30.41 3k84 h VAL 170 CO -0.14 0.38 0.26 0.58 -1.23 0.00 0.00 177.57 177.42 3k84 h VAL 171 N 0.54 1.19 -0.82 7.19 2.07 -1.81 -0.16 116.25 124.44 3k84 h VAL 171 Ca 0.09 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.17 3k84 h VAL 171 Cb 0.58 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 3k84 h VAL 171 CO 0.04 0.21 0.49 1.56 0.02 0.00 0.00 177.57 179.89 3k84 h GLN 172 N 0.68 0.83 -0.18 1.57 4.20 -0.64 -1.44 115.11 120.14 3k84 h GLN 172 Ca 0.18 -0.05 -0.20 0.00 0.06 0.00 0.00 58.65 58.63 3k84 h GLN 172 Cb 0.10 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.69 3k84 h GLN 172 CO -0.02 0.55 -0.70 0.28 -0.67 0.00 0.00 178.83 178.27 3k84 h VAL 173 N 0.85 1.29 -0.26 -0.54 2.07 -0.92 -1.31 116.25 117.43 3k84 h VAL 173 Ca 0.38 -1.92 0.04 0.00 0.82 0.00 0.00 66.70 66.02 3k84 h VAL 173 Cb 0.27 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 3k84 h VAL 173 CO -0.21 0.61 0.02 -0.07 0.02 0.00 0.00 177.57 177.94 3k84 h LEU 174 N 0.52 -0.06 -0.84 2.57 3.38 -0.78 -0.21 115.31 119.90 3k84 h LEU 174 Ca -0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3k84 h LEU 174 Cb 1.31 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.10 3k84 h LEU 174 CO 0.14 0.00 0.49 0.11 0.09 0.00 0.00 178.44 179.27 3k84 h LYS 175 N 0.11 1.16 0.00 1.13 1.57 -1.19 -0.81 116.57 118.53 3k84 h LYS 175 Ca 0.12 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 3k84 h LYS 175 Cb 0.15 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3k84 h LYS 175 CO -0.19 0.83 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.33 3k84 h LEU 176 N 1.16 0.00 -1.64 2.94 3.38 -0.83 -1.97 115.31 118.36 3k84 h LEU 176 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3k84 h LEU 176 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3k84 h LEU 176 CO -0.05 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.60 3k84 n GLN 177 N -3.36 2.13 -0.67 1.13 1.13 -0.13 -4.72 117.38 112.89 3k84 n GLN 177 Ca -0.00 -1.52 0.00 0.00 -1.94 0.00 0.00 57.00 53.53 3k84 n GLN 177 Cb 0.32 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.26 3k84 n GLN 177 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k84 n GLY 178 N 1.04 0.82 3.76 1.08 0.00 -0.74 -0.82 105.19 110.33 3k84 n GLY 178 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3k84 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k84 s ALA 179 N -3.24 2.14 -0.52 4.61 0.00 -0.36 -1.22 121.76 123.17 3k84 s ALA 179 Ca 0.00 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.18 3k84 s ALA 179 Cb 0.00 -3.25 0.15 0.00 0.00 0.00 0.00 23.12 20.02 3k84 s ALA 179 CO 0.00 -1.85 0.32 0.08 0.00 0.00 0.00 175.76 174.30 3k84 s VAL 180 N -2.92 1.90 0.08 0.00 1.01 0.85 -4.32 120.40 117.00 3k84 s VAL 180 Ca 0.61 -3.16 -0.33 0.00 0.00 0.00 0.00 61.98 59.10 3k84 s VAL 180 Cb -0.17 -2.30 -0.13 0.00 0.00 0.00 0.00 36.38 33.78 3k84 s VAL 180 CO 0.56 -0.94 1.73 -2.65 0.00 0.00 0.00 175.10 173.80 3k84 n PRO 181 N 2.98 2.31 0.00 2.72 -0.02 -1.26 -1.68 135.00 140.05 3k84 n PRO 181 Ca 0.13 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3k84 n PRO 181 Cb 0.36 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3k84 n PRO 181 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3k84 n PHE 182 N 4.86 0.00 -3.94 6.00 -1.74 -0.59 -4.67 117.46 117.37 3k84 n PHE 182 Ca 0.19 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.98 3k84 n PHE 182 Cb 0.31 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.21 3k84 n PHE 182 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3k84 s VAL 183 N -1.79 0.11 -0.07 1.97 -7.23 -1.26 -1.04 120.40 111.09 3k84 s VAL 183 Ca 0.00 -0.92 -0.12 0.00 -1.81 0.00 0.00 61.98 59.12 3k84 s VAL 183 Cb 0.00 -0.52 -0.05 0.00 0.56 0.00 0.00 36.38 36.37 3k84 s VAL 183 CO 0.00 -0.51 0.31 -1.00 -0.31 0.00 0.00 175.10 173.59 3k84 s HIS 184 N -1.81 3.63 0.22 2.82 3.76 -0.24 -1.19 115.29 122.48 3k84 s HIS 184 Ca -0.12 0.78 0.10 0.00 -0.15 0.00 0.00 55.06 55.66 3k84 s HIS 184 Cb -0.06 -2.21 -0.04 0.00 1.11 0.00 0.00 32.58 31.37 3k84 s HIS 184 CO -0.01 0.57 -0.08 0.95 -0.85 0.00 0.00 174.74 175.32 3k84 s THR 185 N -0.69 3.18 0.60 1.30 -4.23 0.08 -1.43 115.64 114.44 3k84 s THR 185 Ca 0.20 -1.84 -0.17 0.00 -1.18 0.00 0.00 61.69 58.70 3k84 s THR 185 Cb -0.15 -2.63 -0.03 0.00 1.34 0.00 0.00 72.50 71.03 3k84 s THR 185 CO 0.09 -0.23 1.10 0.21 -0.54 0.00 0.00 174.62 175.24 3k84 s ASN 186 N -3.19 5.53 0.10 3.99 2.47 0.12 -2.28 114.94 121.69 3k84 s ASN 186 Ca 0.28 2.00 0.03 0.00 0.42 0.00 0.00 52.86 55.58 3k84 s ASN 186 Cb -0.08 -2.56 -0.04 0.00 -1.45 0.00 0.00 41.25 37.13 3k84 s ASN 186 CO 0.17 -1.34 -0.08 0.68 -3.72 0.00 0.00 177.10 172.80 3k84 s VAL 187 N -2.18 0.83 0.59 -5.21 -7.23 -1.26 -1.61 120.40 104.33 3k84 s VAL 187 Ca 0.68 -1.76 -0.18 0.00 -1.81 0.00 0.00 61.98 58.91 3k84 s VAL 187 Cb -0.20 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 3k84 s VAL 187 CO 0.35 -0.69 1.16 -2.16 -0.31 0.00 0.00 175.10 173.45 3k84 s PRO 188 N -3.21 3.04 -0.12 4.82 0.04 -1.26 -4.23 135.00 134.08 3k84 s PRO 188 Ca 0.08 1.68 -0.37 0.00 0.04 0.00 0.00 61.00 62.42 3k84 s PRO 188 Cb 0.00 -1.95 -0.15 0.00 0.04 0.00 0.00 34.50 32.44 3k84 s PRO 188 CO -0.02 -1.12 1.69 0.94 0.04 0.00 0.00 177.00 178.54 3k84 n GLN 189 N -1.68 1.52 0.00 4.56 7.27 0.11 -0.40 117.38 128.77 3k84 n GLN 189 Ca 0.12 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.75 3k84 n GLN 189 Cb 0.50 -2.28 0.00 0.00 2.41 0.00 0.00 30.24 30.87 3k84 n GLN 189 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3k84 n SER 190 N 5.03 0.00 0.00 1.69 3.41 0.85 -4.14 113.62 120.46 3k84 n SER 190 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 3k84 n SER 190 Cb 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3k84 n SER 190 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3k84 n MET 191 N -2.00 0.00 -2.56 4.33 2.81 0.46 -4.80 117.12 115.36 3k84 n MET 191 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 3k84 n MET 191 Cb 0.00 -3.28 0.01 0.00 -0.71 0.00 0.00 33.22 29.24 3k84 n MET 191 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3k84 n PHE 192 N -2.00 3.08 -3.63 2.03 -0.00 -1.26 -4.60 117.46 111.07 3k84 n PHE 192 Ca 0.00 -2.84 -0.04 0.00 -0.00 0.00 0.00 57.45 54.57 3k84 n PHE 192 Cb 0.00 -1.83 -0.05 0.00 -0.00 0.00 0.00 39.48 37.60 3k84 n PHE 192 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3k84 s SER 193 N 0.55 -0.12 -0.36 -2.13 0.15 -1.26 -5.03 113.70 105.49 3k84 s SER 193 Ca 0.38 0.18 0.07 0.00 0.70 0.00 0.00 55.95 57.28 3k84 s SER 193 Cb 0.07 0.17 0.61 0.00 -1.71 0.00 0.00 66.02 65.15 3k84 s SER 193 CO 0.02 -0.08 1.71 0.00 1.20 0.00 0.00 173.24 176.09 3k84 n TYR 194 N 1.04 2.13 -2.97 3.44 0.18 -1.26 -2.63 117.16 117.09 3k84 n TYR 194 Ca -0.06 -1.64 0.00 0.00 1.88 0.00 0.00 57.90 58.08 3k84 n TYR 194 Cb 0.58 -0.71 0.00 0.00 -0.38 0.00 0.00 39.34 38.82 3k84 n TYR 194 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 3k84 n ASP 195 N -1.01 1.25 -2.87 9.48 4.64 -1.26 -2.08 116.55 124.70 3k84 n ASP 195 Ca 0.46 -0.35 -0.12 0.00 -1.38 0.00 0.00 54.79 53.40 3k84 n ASP 195 Cb 1.36 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 41.48 3k84 n ASP 195 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3k84 s SER 197 N -1.58 0.78 0.08 0.00 0.15 -1.26 -0.66 113.70 111.20 3k84 s SER 197 Ca 0.29 -0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.67 3k84 s SER 197 Cb 0.27 -0.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.50 3k84 s SER 197 CO -0.11 -0.02 0.01 0.54 1.20 0.00 0.00 173.24 174.86 3k84 s ASN 198 N -0.65 0.40 0.00 5.45 2.20 -0.87 -0.71 114.94 120.76 3k84 s ASN 198 Ca -0.02 -1.07 0.12 0.00 -0.94 0.00 0.00 52.86 50.96 3k84 s ASN 198 Cb -0.05 0.24 0.61 0.00 -2.00 0.00 0.00 41.25 40.05 3k84 s ASN 198 CO 0.00 -0.66 1.33 -2.65 -2.94 0.00 0.00 177.10 172.19 3k84 n PRO 199 N 0.02 0.14 -0.08 3.55 -0.02 -1.26 -1.04 135.00 136.31 3k84 n PRO 199 Ca -0.11 0.20 -0.07 0.00 -2.02 0.00 0.00 63.50 61.50 3k84 n PRO 199 Cb 0.62 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.58 3k84 n PRO 199 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3k84 n LEU 200 N -1.34 1.87 -0.00 2.45 4.77 -1.26 -4.67 117.00 118.81 3k84 n LEU 200 Ca 0.05 0.50 0.10 0.00 -0.03 0.00 0.00 56.01 56.63 3k84 n LEU 200 Cb 0.11 -0.82 -0.12 0.00 -2.33 0.00 0.00 43.42 40.27 3k84 n LEU 200 CO 0.10 -0.37 -0.11 0.49 -1.33 0.00 0.00 177.39 176.18 3k84 n PHE 201 N -4.54 0.00 -2.47 -1.77 3.01 -1.25 -4.32 117.46 106.12 3k84 n PHE 201 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.35 3k84 n PHE 201 Cb 0.39 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 3k84 n PHE 201 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k84 n GLY 202 N 1.47 -0.75 3.73 1.37 0.00 -0.21 -4.93 105.19 105.87 3k84 n GLY 202 Ca 0.03 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 3k84 n GLY 202 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k84 s GLN 203 N 0.00 4.20 0.03 1.61 0.74 -1.26 -2.06 119.66 122.92 3k84 s GLN 203 Ca 0.00 -0.17 -0.14 0.00 0.05 0.00 0.00 55.36 55.10 3k84 s GLN 203 Cb 0.00 -3.42 -0.06 0.00 1.10 0.00 0.00 33.01 30.63 3k84 s GLN 203 CO 0.00 0.28 0.43 0.99 -0.55 0.00 0.00 175.29 176.44 3k84 s THR 204 N 0.40 5.01 0.10 -0.34 2.01 0.16 -4.68 115.64 118.30 3k84 s THR 204 Ca 0.09 0.79 0.09 0.00 0.31 0.00 0.00 61.69 62.97 3k84 s THR 204 Cb -0.11 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3k84 s THR 204 CO -0.01 0.50 -0.19 -0.04 -0.69 0.00 0.00 174.62 174.19 3k84 s MET 205 N -1.31 1.79 0.18 4.92 1.00 0.16 -4.43 119.30 121.61 3k84 s MET 205 Ca 0.27 -1.16 -0.31 0.00 0.00 0.00 0.00 55.69 54.49 3k84 s MET 205 Cb -0.16 -2.10 -0.09 0.00 0.00 0.00 0.00 34.83 32.48 3k84 s MET 205 CO 0.15 0.49 1.40 1.21 0.00 0.00 0.00 175.02 178.26 3k84 s ASN 206 N -2.00 6.78 0.40 3.03 3.84 -0.62 -4.64 114.94 121.73 3k84 s ASN 206 Ca 0.17 2.46 0.28 0.00 0.21 0.00 0.00 52.86 55.98 3k84 s ASN 206 Cb -0.10 -2.60 1.10 0.00 -0.55 0.00 0.00 41.25 39.10 3k84 s ASN 206 CO 0.09 -0.64 1.83 1.55 -2.79 0.00 0.00 177.10 177.14 3k84 h PRO 207 N 5.98 0.00 0.00 0.43 0.13 -1.90 -3.07 132.00 133.56 3k84 h PRO 207 Ca -0.44 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.50 3k84 h PRO 207 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 3k84 h PRO 207 CO 0.82 0.00 -0.92 -1.49 -0.23 0.00 0.00 178.00 176.18 3k84 h TRP 208 N 0.00 0.00 -1.62 1.56 4.06 -1.92 -3.45 115.95 114.57 3k84 h TRP 208 Ca 0.00 0.00 0.11 0.00 2.06 0.00 0.00 58.89 61.06 3k84 h TRP 208 Cb 0.50 0.00 -0.21 0.00 -1.00 0.00 0.00 29.16 28.44 3k84 h TRP 208 CO 0.00 0.92 -0.01 0.21 -3.56 0.00 0.00 178.44 176.00 3k84 s LYS 209 N -2.81 0.48 0.16 0.49 2.20 -1.16 -5.05 119.74 114.04 3k84 s LYS 209 Ca 0.01 1.19 0.21 0.00 -0.36 0.00 0.00 55.97 57.02 3k84 s LYS 209 Cb 0.10 0.72 0.87 0.00 -1.51 0.00 0.00 37.83 38.00 3k84 s LYS 209 CO 0.81 -0.17 1.65 -1.13 -0.36 0.00 0.00 175.35 176.14 3k84 n SER 210 N 5.29 0.44 -0.15 1.43 3.41 -1.24 -1.24 113.62 121.57 3k84 n SER 210 Ca -0.11 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.25 3k84 n SER 210 Cb 0.50 -0.70 0.62 0.00 -0.26 0.00 0.00 64.21 64.37 3k84 n SER 210 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3k84 n SER 211 N -1.98 0.56 -4.83 4.04 3.41 -1.26 -4.64 113.62 108.91 3k84 n SER 211 Ca 0.03 -0.71 -0.30 0.00 -0.26 0.00 0.00 58.87 57.63 3k84 n SER 211 Cb 0.23 -0.05 -0.05 0.00 -0.26 0.00 0.00 64.21 64.08 3k84 n SER 211 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3k84 s LYS 212 N -2.39 3.08 0.30 4.33 -0.14 -0.37 -2.01 119.74 122.55 3k84 s LYS 212 Ca 0.31 -0.63 -0.29 0.00 -1.36 0.00 0.00 55.97 54.00 3k84 s LYS 212 Cb 0.20 -2.83 -0.10 0.00 -1.68 0.00 0.00 37.83 33.43 3k84 s LYS 212 CO 0.46 0.57 1.13 0.45 -0.76 0.00 0.00 175.35 177.19 3k84 s SER 213 N -2.55 7.11 0.00 2.83 0.15 0.35 -1.60 113.70 119.99 3k84 s SER 213 Ca 0.31 2.32 0.25 0.00 0.70 0.00 0.00 55.95 59.53 3k84 s SER 213 Cb -0.12 -2.63 1.49 0.00 -1.71 0.00 0.00 66.02 63.05 3k84 s SER 213 CO 0.24 -0.26 1.87 -0.81 1.20 0.00 0.00 173.24 175.48 3k84 n PRO 214 N 0.96 0.84 0.00 5.44 -0.04 -1.26 -4.53 135.00 136.41 3k84 n PRO 214 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3k84 n PRO 214 Cb 0.45 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 3k84 n PRO 214 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k84 n GLY 215 N 0.65 -2.40 3.86 0.55 0.00 -1.26 -4.13 105.19 102.46 3k84 n GLY 215 Ca 0.19 -1.65 0.02 0.00 0.00 0.00 0.00 46.02 44.59 3k84 n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k84 n GLY 216 N -0.35 0.25 0.02 -0.02 0.00 -0.88 -4.03 105.19 100.18 3k84 n GLY 216 Ca 0.00 -1.05 0.14 0.00 0.00 0.00 0.00 46.02 45.11 3k84 n GLY 216 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k84 n SER 217 N -1.07 0.15 -1.98 1.61 3.41 -1.08 -4.18 113.62 110.48 3k84 n SER 217 Ca 0.04 0.11 -0.11 0.00 -0.26 0.00 0.00 58.87 58.65 3k84 n SER 217 Cb 0.56 -0.28 -0.15 0.00 -0.26 0.00 0.00 64.21 64.08 3k84 n SER 217 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3k84 n SER 218 N -1.38 5.10 0.04 4.04 7.64 -1.04 -4.07 113.62 123.95 3k84 n SER 218 Ca 0.09 -2.45 -0.15 0.00 1.01 0.00 0.00 58.87 57.37 3k84 n SER 218 Cb 0.31 -1.36 -0.05 0.00 -1.01 0.00 0.00 64.21 62.10 3k84 n SER 218 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3k84 h GLY 219 N 4.90 0.61 1.17 0.23 0.00 -1.70 -2.53 103.07 105.75 3k84 h GLY 219 Ca 0.17 -0.99 0.01 0.00 0.00 0.00 0.00 47.33 46.52 3k84 h GLY 219 CO 0.22 0.88 0.55 -1.33 0.00 0.00 0.00 176.54 176.86 3k84 h GLY 220 N 0.92 1.19 0.86 4.60 0.00 -1.55 -1.55 103.07 107.54 3k84 h GLY 220 Ca -0.08 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 3k84 h GLY 220 CO 0.17 0.44 0.02 0.83 0.00 0.00 0.00 176.54 178.00 3k84 h GLU 221 N 1.15 0.43 -0.30 4.80 4.39 -1.76 -1.24 114.58 122.04 3k84 h GLU 221 Ca 0.31 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.91 3k84 h GLU 221 Cb -0.12 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 3k84 h GLU 221 CO -0.07 0.58 0.12 0.78 -1.16 0.00 0.00 179.01 179.26 3k84 h GLY 222 N 0.23 0.39 1.36 -3.84 0.00 -1.16 -0.72 103.07 99.32 3k84 h GLY 222 Ca 0.07 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 3k84 h GLY 222 CO 0.01 0.05 -0.23 0.00 0.00 0.00 0.00 176.54 176.37 3k84 h ALA 223 N 1.18 0.90 0.16 3.60 0.00 -1.23 0.16 119.26 124.03 3k84 h ALA 223 Ca 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3k84 h ALA 223 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3k84 h ALA 223 CO -0.12 0.62 -0.08 1.25 0.00 0.00 0.00 179.25 180.92 3k84 h LEU 224 N 0.65 -0.19 -0.62 0.00 5.85 -0.98 -2.72 115.31 117.30 3k84 h LEU 224 Ca 0.09 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 3k84 h LEU 224 Cb 0.73 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3k84 h LEU 224 CO 0.06 0.37 0.38 0.40 -0.34 0.00 0.00 178.44 179.30 3k84 h ILE 225 N -0.87 1.18 0.00 4.05 2.04 -1.20 0.94 117.51 123.64 3k84 h ILE 225 Ca -0.02 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3k84 h ILE 225 Cb 0.52 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.93 3k84 h ILE 225 CO 0.04 0.18 -0.02 1.23 0.00 0.00 0.00 178.15 179.59 3k84 h GLY 226 N 0.84 0.00 -1.93 5.37 0.00 -0.74 -1.69 103.07 104.92 3k84 h GLY 226 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3k84 h GLY 226 CO -0.04 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.36 3k84 n SER 227 N -3.14 3.14 0.00 0.19 3.41 -1.03 -4.98 113.62 111.22 3k84 n SER 227 Ca -0.01 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 3k84 n SER 227 Cb 0.22 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 3k84 n SER 227 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k84 n GLY 228 N 1.21 0.77 0.29 5.00 0.00 -0.63 -4.97 105.19 106.86 3k84 n GLY 228 Ca 0.16 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.33 3k84 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k84 n GLY 229 N -2.44 -0.39 3.64 -0.02 0.00 0.30 -4.81 105.19 101.47 3k84 n GLY 229 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 3k84 n GLY 229 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k84 s SER 230 N -1.98 -0.81 0.21 1.61 0.15 -1.24 -4.14 113.70 107.50 3k84 s SER 230 Ca 0.42 1.39 0.26 0.00 0.70 0.00 0.00 55.95 58.71 3k84 s SER 230 Cb 0.21 1.37 0.69 0.00 -1.71 0.00 0.00 66.02 66.58 3k84 s SER 230 CO 0.34 -0.23 1.68 1.55 1.20 0.00 0.00 173.24 177.78 3k84 h PRO 231 N 5.98 0.00 -1.72 5.44 0.13 -1.88 -3.39 132.00 136.56 3k84 h PRO 231 Ca -0.29 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.89 3k84 h PRO 231 Cb 1.20 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 3k84 h PRO 231 CO 0.12 0.00 0.30 -1.17 -0.23 0.00 0.00 178.00 177.02 3k84 s LEU 232 N -4.61 -0.61 0.23 1.56 2.96 -1.26 -4.29 118.68 112.66 3k84 s LEU 232 Ca 0.09 1.07 -0.01 0.00 -0.22 0.00 0.00 54.13 55.06 3k84 s LEU 232 Cb 0.12 2.04 -0.03 0.00 0.50 0.00 0.00 46.19 48.81 3k84 s LEU 232 CO 0.63 -0.18 0.21 -0.83 -1.32 0.00 0.00 176.35 174.86 3k84 s GLY 233 N 0.81 1.45 -0.03 7.98 0.00 -0.10 -1.50 107.32 115.93 3k84 s GLY 233 Ca -0.03 -1.64 0.07 0.00 0.00 0.00 0.00 44.72 43.12 3k84 s GLY 233 CO -0.10 -1.29 -0.24 1.08 0.00 0.00 0.00 173.10 172.55 3k84 s LEU 234 N -3.18 2.18 0.00 0.66 1.43 -0.85 -0.84 118.68 118.07 3k84 s LEU 234 Ca 0.37 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 3k84 s LEU 234 Cb 0.05 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.87 3k84 s LEU 234 CO 0.14 0.31 0.11 0.61 0.23 0.00 0.00 176.35 177.76 3k84 n GLY 235 N 2.49 3.49 3.29 -3.19 0.00 -0.24 -2.30 105.19 108.72 3k84 n GLY 235 Ca -0.16 -2.01 -0.16 0.00 0.00 0.00 0.00 46.02 43.69 3k84 n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k84 s THR 236 N -2.62 1.14 -0.26 2.61 -4.23 -1.26 -1.81 115.64 109.21 3k84 s THR 236 Ca 0.16 -2.06 -0.06 0.00 -1.18 0.00 0.00 61.69 58.56 3k84 s THR 236 Cb 0.01 -2.06 0.13 0.00 1.34 0.00 0.00 72.50 71.92 3k84 s THR 236 CO 0.11 -0.57 0.52 -0.62 -0.54 0.00 0.00 174.62 173.52 3k84 s ASP 237 N -3.23 -0.68 -0.00 3.99 3.68 0.10 -3.13 116.67 117.40 3k84 s ASP 237 Ca 0.22 0.99 0.01 0.00 2.13 0.00 0.00 52.55 55.90 3k84 s ASP 237 Cb 0.04 1.77 -0.02 0.00 -1.45 0.00 0.00 42.92 43.26 3k84 s ASP 237 CO 0.04 -0.25 0.03 0.00 0.13 0.00 0.00 175.17 175.12 3k84 n ILE 238 N 5.41 0.00 -1.33 4.11 3.06 -1.26 -1.39 119.36 127.97 3k84 n ILE 238 Ca -0.07 -0.03 0.00 0.00 -2.50 0.00 0.00 62.75 60.15 3k84 n ILE 238 Cb 0.50 0.40 0.00 0.00 0.54 0.00 0.00 39.64 41.08 3k84 n ILE 238 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3k84 n GLY 239 N 2.45 -1.78 0.00 4.50 0.00 -1.26 -4.80 105.19 104.30 3k84 n GLY 239 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k84 n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k84 n GLY 240 N 0.00 -0.38 0.02 -0.02 0.00 -1.26 -3.52 105.19 100.04 3k84 n GLY 240 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3k84 n GLY 240 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k84 n SER 241 N 0.00 0.11 -0.01 1.61 7.64 -1.26 -0.23 113.62 121.48 3k84 n SER 241 Ca 0.00 0.53 -0.17 0.00 1.01 0.00 0.00 58.87 60.24 3k84 n SER 241 Cb 0.00 -0.55 -0.14 0.00 -1.01 0.00 0.00 64.21 62.51 3k84 n SER 241 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3k84 n ILE 242 N -1.63 1.71 0.11 0.44 5.41 -1.18 -2.50 119.36 121.72 3k84 n ILE 242 Ca 0.03 -0.69 -0.24 0.00 1.00 0.00 0.00 62.75 62.84 3k84 n ILE 242 Cb 0.15 -1.49 -0.15 0.00 -0.71 0.00 0.00 39.64 37.43 3k84 n ILE 242 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3k84 h ARG 243 N 0.05 0.47 0.37 0.38 3.08 -0.95 -2.81 114.38 114.97 3k84 h ARG 243 Ca -0.40 -0.81 -0.00 0.00 0.07 0.00 0.00 59.98 58.83 3k84 h ARG 243 Cb 2.03 0.30 -0.02 0.00 0.08 0.00 0.00 29.97 32.36 3k84 h ARG 243 CO 0.07 1.39 -0.39 0.74 -1.07 0.00 0.00 179.97 180.71 3k84 h PHE 244 N 0.13 -1.06 -0.11 3.04 0.04 -0.85 0.47 116.94 118.60 3k84 h PHE 244 Ca -0.30 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.40 3k84 h PHE 244 Cb 2.14 0.41 -0.01 0.00 2.20 0.00 0.00 35.95 40.69 3k84 h PHE 244 CO 0.12 -0.54 -0.30 -1.00 -0.60 0.00 0.00 178.31 175.99 3k84 h PRO 245 N -0.79 0.21 0.16 1.51 0.13 -1.72 0.27 132.00 131.77 3k84 h PRO 245 Ca -0.03 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3k84 h PRO 245 Cb 0.71 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 3k84 h PRO 245 CO -0.07 0.50 -0.11 0.77 -0.23 0.00 0.00 178.00 178.85 3k84 h SER 246 N 0.18 -0.29 -0.52 1.44 0.02 -1.42 -1.83 113.55 111.14 3k84 h SER 246 Ca 0.03 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 3k84 h SER 246 Cb 0.64 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 3k84 h SER 246 CO 0.05 -0.18 0.22 0.00 -1.14 0.00 0.00 176.83 175.77 3k84 h ALA 247 N 0.55 0.67 -0.00 3.77 0.00 -0.63 0.48 119.26 124.09 3k84 h ALA 247 Ca -0.01 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3k84 h ALA 247 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3k84 h ALA 247 CO 0.00 0.28 -0.53 0.74 0.00 0.00 0.00 179.25 179.74 3k84 h PHE 248 N 0.70 0.01 -0.19 0.00 -1.00 -0.94 -3.14 116.94 112.39 3k84 h PHE 248 Ca 0.17 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.95 3k84 h PHE 248 Cb 0.18 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.74 3k84 h PHE 248 CO 0.00 0.54 0.00 0.00 -1.61 0.00 0.00 178.31 177.24 3k84 n GLY 250 N 1.17 0.56 3.42 0.00 0.00 -0.68 -4.67 105.19 104.99 3k84 n GLY 250 Ca 0.14 -0.45 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 3k84 n GLY 250 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3k84 s ILE 251 N -3.06 0.82 0.13 -0.61 -4.36 0.07 -4.87 121.20 109.31 3k84 s ILE 251 Ca 0.15 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.47 3k84 s ILE 251 Cb -0.06 -2.63 -0.06 0.00 1.25 0.00 0.00 42.46 40.95 3k84 s ILE 251 CO 0.18 0.00 0.39 0.00 0.24 0.00 0.00 174.94 175.75 3k84 s GLY 253 N -2.20 -0.37 -0.09 0.00 0.00 -1.05 -1.13 107.32 102.48 3k84 s GLY 253 Ca 0.39 1.22 0.00 0.00 0.00 0.00 0.00 44.72 46.33 3k84 s GLY 253 CO 0.22 1.00 -0.08 -2.27 0.00 0.00 0.00 173.10 171.97 3k84 s LEU 254 N -0.22 1.27 -0.53 0.66 2.96 -0.83 -0.61 118.68 121.39 3k84 s LEU 254 Ca -0.04 -0.27 -0.17 0.00 -0.22 0.00 0.00 54.13 53.43 3k84 s LEU 254 Cb -0.03 -0.78 0.10 0.00 0.50 0.00 0.00 46.19 45.98 3k84 s LEU 254 CO 0.03 -0.08 0.53 -0.75 -1.32 0.00 0.00 176.35 174.76 3k84 s LYS 255 N 1.40 3.02 1.15 1.98 2.20 0.48 -3.55 119.74 126.41 3k84 s LYS 255 Ca -0.01 -1.39 -0.16 0.00 -0.36 0.00 0.00 55.97 54.04 3k84 s LYS 255 Cb -0.13 -4.21 0.26 0.00 -1.51 0.00 0.00 37.83 32.24 3k84 s LYS 255 CO -0.04 -1.27 1.08 -2.14 -0.36 0.00 0.00 175.35 172.62 3k84 s PRO 256 N 2.01 -0.81 0.40 4.03 0.02 -1.26 -1.23 135.00 138.17 3k84 s PRO 256 Ca 0.07 0.23 -0.25 0.00 0.02 0.00 0.00 61.00 61.08 3k84 s PRO 256 Cb -0.25 -1.62 -0.11 0.00 0.02 0.00 0.00 34.50 32.54 3k84 s PRO 256 CO 0.06 -3.50 0.94 2.41 -0.33 0.00 0.00 177.00 176.58 3k84 n THR 257 N -4.67 2.30 -0.33 0.99 -1.04 -1.26 -4.65 114.28 105.62 3k84 n THR 257 Ca 0.09 -0.50 0.05 0.00 -2.04 0.00 0.00 64.05 61.66 3k84 n THR 257 Cb 0.58 -1.04 0.21 0.00 -1.82 0.00 0.00 70.33 68.26 3k84 n THR 257 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3k84 h GLY 258 N 1.48 1.48 -3.39 3.41 0.00 -1.86 -2.45 103.07 101.74 3k84 h GLY 258 Ca -0.43 -0.37 -0.27 0.00 0.00 0.00 0.00 47.33 46.26 3k84 h GLY 258 CO 0.57 0.13 0.30 -2.01 0.00 0.00 0.00 176.54 175.53 3k84 n ASN 259 N -4.69 4.21 0.09 0.19 5.15 -1.26 -4.28 115.26 114.67 3k84 n ASN 259 Ca 0.17 -3.38 -0.17 0.00 -0.60 0.00 0.00 54.58 50.60 3k84 n ASN 259 Cb 0.33 -0.74 -0.10 0.00 -0.53 0.00 0.00 39.78 38.74 3k84 n ASN 259 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 3k84 h ARG 260 N 1.99 0.42 -6.19 1.20 9.65 -1.80 -3.37 114.38 116.28 3k84 h ARG 260 Ca 0.33 -0.57 -0.60 0.00 -1.10 0.00 0.00 59.98 58.04 3k84 h ARG 260 Cb 2.32 0.19 -0.13 0.00 -1.39 0.00 0.00 29.97 30.96 3k84 h ARG 260 CO 0.75 1.23 -0.73 -0.51 2.80 0.00 0.00 179.97 183.51 3k84 s LEU 261 N -7.56 2.73 -0.09 3.80 1.43 -1.26 -4.87 118.68 112.86 3k84 s LEU 261 Ca -0.06 -0.96 -0.27 0.00 -1.03 0.00 0.00 54.13 51.81 3k84 s LEU 261 Cb 0.07 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 45.04 3k84 s LEU 261 CO 0.89 0.01 0.87 -0.55 0.23 0.00 0.00 176.35 177.81 3k84 s SER 262 N -3.55 7.13 0.00 2.29 0.15 -1.26 -4.90 113.70 113.55 3k84 s SER 262 Ca 0.31 1.38 0.22 0.00 0.70 0.00 0.00 55.95 58.55 3k84 s SER 262 Cb -0.05 -2.49 0.52 0.00 -1.71 0.00 0.00 66.02 62.29 3k84 s SER 262 CO 0.16 -0.30 1.44 0.29 1.20 0.00 0.00 173.24 176.03 3k84 n LYS 263 N 4.49 2.34 -1.70 5.44 5.02 -1.26 -4.59 118.16 127.90 3k84 n LYS 263 Ca 0.04 -2.04 -0.43 0.00 -2.02 0.00 0.00 58.31 53.86 3k84 n LYS 263 Cb 0.50 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 3k84 n LYS 263 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3k84 n SER 264 N 1.22 3.85 0.00 4.39 2.88 -1.26 -2.03 113.62 122.66 3k84 n SER 264 Ca 0.19 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.76 3k84 n SER 264 Cb 0.53 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 3k84 n SER 264 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k84 n GLY 265 N 4.00 0.68 3.73 0.46 0.00 -1.26 -2.82 105.19 109.98 3k84 n GLY 265 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3k84 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k84 s LEU 266 N 0.00 4.50 -0.06 0.99 1.02 -0.86 -3.44 118.68 120.82 3k84 s LEU 266 Ca 0.00 1.85 -0.30 0.00 0.02 0.00 0.00 54.13 55.70 3k84 s LEU 266 Cb 0.00 -3.59 -0.02 0.00 0.02 0.00 0.00 46.19 42.60 3k84 s LEU 266 CO 0.00 -0.10 1.00 -0.75 0.02 0.00 0.00 176.35 176.52 3k84 s LYS 267 N -0.06 4.48 0.32 1.70 2.47 0.20 -4.97 119.74 123.88 3k84 s LYS 267 Ca 0.48 1.41 0.03 0.00 -1.56 0.00 0.00 55.97 56.33 3k84 s LYS 267 Cb -0.25 -3.51 -0.01 0.00 -1.46 0.00 0.00 37.83 32.61 3k84 s LYS 267 CO 0.31 -0.21 0.10 0.41 0.16 0.00 0.00 175.35 176.11 3k84 n GLY 268 N 3.02 3.48 0.00 5.54 0.00 -1.26 -4.80 105.19 111.17 3k84 n GLY 268 Ca 0.08 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3k84 n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k84 s VAL 270 N -0.37 1.68 -0.08 0.00 1.01 -1.26 -4.60 120.40 116.77 3k84 s VAL 270 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.19 3k84 s VAL 270 Cb 0.00 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.93 3k84 s VAL 270 CO 0.00 0.47 -0.23 -0.31 0.00 0.00 0.00 175.10 175.03 3k84 s TYR 271 N 0.16 2.40 0.00 5.22 2.02 -1.26 -4.72 117.35 121.17 3k84 s TYR 271 Ca -0.09 -0.88 0.00 0.00 -0.37 0.00 0.00 57.07 55.73 3k84 s TYR 271 Cb -0.14 -1.60 0.00 0.00 -0.40 0.00 0.00 41.96 39.82 3k84 s TYR 271 CO 0.04 -0.33 0.00 0.41 -1.57 0.00 0.00 175.55 174.10 3k84 n GLY 272 N 3.34 0.70 3.56 0.71 0.00 -1.26 -5.03 105.19 107.20 3k84 n GLY 272 Ca -0.19 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 3k84 n GLY 272 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k84 s GLN 273 N -0.54 3.50 0.00 1.61 -0.44 -1.26 -4.89 119.66 117.63 3k84 s GLN 273 Ca 0.00 0.07 0.04 0.00 -2.50 0.00 0.00 55.36 52.98 3k84 s GLN 273 Cb 0.00 -3.93 0.01 0.00 -1.64 0.00 0.00 33.01 27.46 3k84 s GLN 273 CO 0.00 -1.17 0.51 0.25 0.50 0.00 0.00 175.29 175.38 3k84 n THR 274 N 6.29 0.00 0.13 -0.34 -2.24 -1.26 -4.72 114.28 112.14 3k84 n THR 274 Ca 0.05 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 3k84 n THR 274 Cb 0.48 1.07 -0.07 0.00 -2.10 0.00 0.00 70.33 69.71 3k84 n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k84 h ALA 275 N 0.79 -0.28 -3.36 6.98 0.00 -1.90 -3.37 119.26 118.11 3k84 h ALA 275 Ca 0.00 -0.05 -0.69 0.00 0.00 0.00 0.00 54.91 54.18 3k84 h ALA 275 Cb 0.16 0.17 -0.33 0.00 0.00 0.00 0.00 17.79 17.78 3k84 h ALA 275 CO 0.00 -0.67 -0.65 0.08 0.00 0.00 0.00 179.25 178.02 3k84 s VAL 276 N -6.14 3.13 0.41 0.00 1.01 -1.26 -5.01 120.40 112.54 3k84 s VAL 276 Ca -0.15 -1.61 -0.18 0.00 0.00 0.00 0.00 61.98 60.05 3k84 s VAL 276 Cb 0.06 -2.93 -0.10 0.00 0.00 0.00 0.00 36.38 33.42 3k84 s VAL 276 CO 0.65 -0.32 0.88 -1.10 0.00 0.00 0.00 175.10 175.21 3k84 s GLN 277 N 1.22 4.09 0.44 2.72 -0.21 -1.26 -4.96 119.66 121.70 3k84 s GLN 277 Ca -0.00 0.92 -0.19 0.00 0.02 0.00 0.00 55.36 56.10 3k84 s GLN 277 Cb -0.21 -2.26 -0.10 0.00 1.00 0.00 0.00 33.01 31.44 3k84 s GLN 277 CO -0.02 -0.01 0.94 -1.17 -2.12 0.00 0.00 175.29 172.91 3k84 s LEU 278 N -3.28 3.88 0.02 2.90 2.96 -1.26 -4.77 118.68 119.13 3k84 s LEU 278 Ca 0.59 1.62 0.02 0.00 -0.22 0.00 0.00 54.13 56.14 3k84 s LEU 278 Cb -0.10 -4.49 -0.02 0.00 0.50 0.00 0.00 46.19 42.09 3k84 s LEU 278 CO 0.18 -0.40 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.19 3k84 s SER 279 N -2.39 0.79 0.13 3.68 0.15 -0.49 -4.64 113.70 110.93 3k84 s SER 279 Ca 0.61 -0.34 0.09 0.00 0.70 0.00 0.00 55.95 57.00 3k84 s SER 279 Cb -0.09 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 3k84 s SER 279 CO 0.18 -0.07 -0.16 -1.48 1.20 0.00 0.00 173.24 172.90 3k84 s LEU 280 N -0.92 2.78 0.10 3.45 0.05 -1.26 0.02 118.68 122.90 3k84 s LEU 280 Ca -0.04 -0.56 -0.26 0.00 0.05 0.00 0.00 54.13 53.31 3k84 s LEU 280 Cb -0.06 -1.58 0.08 0.00 -2.05 0.00 0.00 46.19 42.58 3k84 s LEU 280 CO 0.00 0.16 1.08 -0.83 -0.55 0.00 0.00 176.35 176.21 3k84 s GLY 281 N -2.33 -0.24 0.47 -3.48 0.00 -0.75 -4.34 107.32 96.65 3k84 s GLY 281 Ca 0.20 0.24 -0.18 0.00 0.00 0.00 0.00 44.72 44.98 3k84 s GLY 281 CO 0.12 0.48 0.94 2.56 0.00 0.00 0.00 173.10 177.20 3k84 s PRO 282 N -2.85 4.04 -0.00 2.90 0.04 -1.23 -1.08 135.00 136.82 3k84 s PRO 282 Ca 0.14 0.96 0.04 0.00 0.04 0.00 0.00 61.00 62.19 3k84 s PRO 282 Cb 0.00 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 3k84 s PRO 282 CO 0.01 -0.14 -0.12 -1.64 0.04 0.00 0.00 177.00 175.14 3k84 s MET 283 N -3.67 0.94 0.14 4.56 -1.94 -0.02 -1.96 119.30 117.34 3k84 s MET 283 Ca 0.59 -0.48 -0.24 0.00 -1.71 0.00 0.00 55.69 53.85 3k84 s MET 283 Cb -0.10 -0.91 0.08 0.00 2.01 0.00 0.00 34.83 35.91 3k84 s MET 283 CO 0.24 0.25 1.07 0.00 -0.01 0.00 0.00 175.02 176.56 3k84 s ALA 284 N -0.38 -1.75 -0.55 3.03 0.00 -0.28 -0.93 121.76 120.90 3k84 s ALA 284 Ca 0.04 -0.10 0.25 0.00 0.00 0.00 0.00 51.96 52.15 3k84 s ALA 284 Cb -0.05 0.71 0.68 0.00 0.00 0.00 0.00 23.12 24.46 3k84 s ALA 284 CO -0.00 -1.07 1.72 0.00 0.00 0.00 0.00 175.76 176.41 3k84 h ARG 285 N 2.00 0.00 -3.85 0.00 3.08 -1.84 0.72 114.38 114.49 3k84 h ARG 285 Ca -0.27 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.69 3k84 h ARG 285 Cb 1.22 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.15 3k84 h ARG 285 CO 0.33 0.00 -0.25 0.16 -1.07 0.00 0.00 179.97 179.14 3k84 s ASP 286 N -5.21 -0.02 0.19 7.04 3.84 -1.26 -4.57 116.67 116.67 3k84 s ASP 286 Ca 0.08 -0.95 -0.05 0.00 -0.00 0.00 0.00 52.55 51.64 3k84 s ASP 286 Cb 0.09 0.51 0.11 0.00 -1.38 0.00 0.00 42.92 42.25 3k84 s ASP 286 CO 0.60 -1.01 1.53 0.58 -0.00 0.00 0.00 175.17 176.88 3k84 h VAL 287 N 2.40 1.30 -0.54 2.11 2.07 -1.93 -3.14 116.25 118.51 3k84 h VAL 287 Ca -0.30 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.57 3k84 h VAL 287 Cb 1.24 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 3k84 h VAL 287 CO 0.42 0.52 0.25 -0.08 0.02 0.00 0.00 177.57 178.70 3k84 h GLU 288 N 0.54 0.77 -0.94 1.57 4.57 -1.97 -1.03 114.58 118.09 3k84 h GLU 288 Ca 0.04 -0.10 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3k84 h GLU 288 Cb 0.99 -0.15 -0.05 0.00 -0.16 0.00 0.00 28.75 29.38 3k84 h GLU 288 CO 0.09 0.61 0.61 0.77 -1.18 0.00 0.00 179.01 179.91 3k84 h SER 289 N 0.77 1.03 -0.13 1.04 0.02 -1.96 -0.54 113.55 113.78 3k84 h SER 289 Ca 0.19 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3k84 h SER 289 Cb 0.10 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3k84 h SER 289 CO -0.02 0.72 0.08 -0.07 -1.14 0.00 0.00 176.83 176.39 3k84 h LEU 290 N 1.21 0.17 -0.59 5.07 3.38 -1.22 -0.63 115.31 122.69 3k84 h LEU 290 Ca 0.37 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.28 3k84 h LEU 290 Cb -0.04 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3k84 h LEU 290 CO -0.11 0.19 0.38 0.00 0.09 0.00 0.00 178.44 178.99 3k84 h ALA 291 N 0.98 0.76 -0.09 1.53 0.00 -1.14 -0.32 119.26 120.99 3k84 h ALA 291 Ca 0.05 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3k84 h ALA 291 Cb 0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3k84 h ALA 291 CO -0.01 0.14 0.05 1.25 0.00 0.00 0.00 179.25 180.68 3k84 h LEU 292 N 0.76 0.11 -0.71 0.00 5.85 -1.00 0.15 115.31 120.47 3k84 h LEU 292 Ca 0.23 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3k84 h LEU 292 Cb -0.03 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3k84 h LEU 292 CO -0.08 0.13 0.44 0.00 -0.34 0.00 0.00 178.44 178.59 3k84 h LEU 294 N 0.84 0.33 -0.57 0.00 5.85 -0.87 -1.37 115.31 119.52 3k84 h LEU 294 Ca 0.29 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.82 3k84 h LEU 294 Cb 0.05 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 3k84 h LEU 294 CO -0.12 0.50 0.25 0.50 -0.34 0.00 0.00 178.44 179.23 3k84 h LYS 295 N 0.15 0.46 -0.53 1.25 3.64 -0.37 -1.05 116.57 120.12 3k84 h LYS 295 Ca 0.06 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 3k84 h LYS 295 Cb 0.31 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3k84 h LYS 295 CO 0.00 0.31 0.02 0.00 -2.27 0.00 0.00 179.45 177.51 3k84 h ALA 296 N 1.35 1.04 0.00 5.00 0.00 -0.69 -3.11 119.26 122.85 3k84 h ALA 296 Ca 0.27 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3k84 h ALA 296 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3k84 h ALA 296 CO -0.23 0.60 -0.75 -0.07 0.00 0.00 0.00 179.25 178.80 3k84 h LEU 297 N 0.82 0.00 -6.01 0.00 3.38 -0.80 -3.37 115.31 109.33 3k84 h LEU 297 Ca 0.16 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.38 3k84 h LEU 297 Cb 0.46 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.08 3k84 h LEU 297 CO 0.02 0.75 2.32 0.18 0.09 0.00 0.00 178.44 181.80 3k84 n LEU 298 N -3.60 7.37 -4.53 1.67 4.77 -0.44 -4.51 117.00 117.74 3k84 n LEU 298 Ca -0.01 -4.73 -0.25 0.00 -0.03 0.00 0.00 56.01 51.00 3k84 n LEU 298 Cb 0.74 -1.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.30 3k84 n LEU 298 CO 0.44 1.70 -0.26 0.00 -1.33 0.00 0.00 177.39 177.94 3k84 h GLU 300 N 1.92 0.89 -0.34 0.00 4.39 -1.94 -1.99 114.58 117.50 3k84 h GLU 300 Ca -0.41 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.31 3k84 h GLU 300 Cb 1.26 -0.20 -0.08 0.00 -0.10 0.00 0.00 28.75 29.62 3k84 h GLU 300 CO 0.70 0.59 -0.27 0.45 -1.16 0.00 0.00 179.01 179.32 3k84 h HIS 301 N 0.92 -0.73 -0.57 4.33 3.86 -1.96 -0.67 115.15 120.33 3k84 h HIS 301 Ca 0.49 0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.73 3k84 h HIS 301 Cb 0.55 0.37 -0.03 0.00 1.06 0.00 0.00 27.41 29.36 3k84 h HIS 301 CO -0.00 -0.34 0.29 1.25 0.86 0.00 0.00 177.93 179.99 3k84 h LEU 302 N -0.23 0.73 -1.08 2.43 6.46 -1.60 -0.73 115.31 121.28 3k84 h LEU 302 Ca 0.16 -0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.71 3k84 h LEU 302 Cb 0.49 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3k84 h LEU 302 CO -0.47 0.64 -0.45 -0.26 -0.62 0.00 0.00 178.44 177.28 3k84 h PHE 303 N 0.77 0.02 0.15 1.25 0.04 -1.02 -1.03 116.94 117.12 3k84 h PHE 303 Ca 0.20 -0.01 -0.32 0.00 2.80 0.00 0.00 57.97 60.64 3k84 h PHE 303 Cb 0.09 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 3k84 h PHE 303 CO -0.01 0.47 -1.59 1.79 -0.60 0.00 0.00 178.31 178.36 3k84 h THR 304 N 0.01 1.10 -0.08 -1.55 1.35 -1.03 -3.04 112.91 109.66 3k84 h THR 304 Ca -0.00 -2.71 -0.06 0.00 -0.55 0.00 0.00 66.41 63.09 3k84 h THR 304 Cb 0.81 2.78 -0.01 0.00 -1.73 0.00 0.00 68.15 69.99 3k84 h THR 304 CO 0.06 0.83 -0.22 -0.07 -0.25 0.00 0.00 175.52 175.87 3k84 h LEU 305 N 0.08 0.13 -6.56 3.87 3.38 -0.97 -3.36 115.31 111.88 3k84 h LEU 305 Ca -0.27 -0.03 -0.59 0.00 0.09 0.00 0.00 57.88 57.08 3k84 h LEU 305 Cb 2.05 -0.04 -0.39 0.00 0.09 0.00 0.00 40.66 42.38 3k84 h LEU 305 CO 0.17 0.36 -0.87 -0.62 0.09 0.00 0.00 178.44 177.57 3k84 s ASP 306 N -6.92 2.60 0.42 -0.43 3.68 -0.41 -5.00 116.67 110.62 3k84 s ASP 306 Ca -0.04 -2.52 0.24 0.00 2.13 0.00 0.00 52.55 52.35 3k84 s ASP 306 Cb 0.15 -0.49 1.33 0.00 -1.45 0.00 0.00 42.92 42.46 3k84 s ASP 306 CO 0.73 -0.26 1.72 -0.65 0.13 0.00 0.00 175.17 176.84 3k84 h PRO 307 N 6.54 0.00 0.00 4.34 0.11 -1.69 -2.50 132.00 138.80 3k84 h PRO 307 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3k84 h PRO 307 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3k84 h PRO 307 CO 0.32 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.90 3k84 h THR 308 N 0.00 0.00 -3.31 -1.15 1.35 -1.94 -3.43 112.91 104.42 3k84 h THR 308 Ca 0.00 -0.64 -0.58 0.00 -0.55 0.00 0.00 66.41 64.65 3k84 h THR 308 Cb 0.24 1.60 -0.07 0.00 -1.73 0.00 0.00 68.15 68.19 3k84 h THR 308 CO 0.00 0.00 0.36 -0.69 -0.25 0.00 0.00 175.52 174.94 3k84 s VAL 309 N -3.28 4.90 0.23 6.82 1.01 -0.94 -5.02 120.40 124.11 3k84 s VAL 309 Ca 0.07 1.63 -0.31 0.00 0.00 0.00 0.00 61.98 63.37 3k84 s VAL 309 Cb 0.09 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.22 3k84 s VAL 309 CO 0.58 0.05 1.64 -2.16 0.00 0.00 0.00 175.10 175.22 3k84 s PRO 310 N 1.98 4.14 -1.19 2.72 0.04 -1.26 -4.85 135.00 136.58 3k84 s PRO 310 Ca 0.39 2.55 -0.17 0.00 0.04 0.00 0.00 61.00 63.81 3k84 s PRO 310 Cb -0.17 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 3k84 s PRO 310 CO 0.14 -0.67 2.14 -0.35 0.04 0.00 0.00 177.00 178.30 3k84 n PRO 311 N 3.31 2.36 -3.30 0.56 -0.04 -1.26 -4.88 135.00 131.74 3k84 n PRO 311 Ca 0.13 -2.26 -0.44 0.00 -0.04 0.00 0.00 63.50 60.88 3k84 n PRO 311 Cb 0.37 -3.10 -0.07 0.00 -0.04 0.00 0.00 33.50 30.66 3k84 n PRO 311 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k84 s LEU 312 N 1.66 5.47 0.86 1.53 1.43 -1.26 -5.06 118.68 123.30 3k84 s LEU 312 Ca 0.52 -1.25 -0.10 0.00 -1.03 0.00 0.00 54.13 52.26 3k84 s LEU 312 Cb 0.14 -2.27 0.11 0.00 0.03 0.00 0.00 46.19 44.21 3k84 s LEU 312 CO -0.01 -0.76 1.12 -2.16 0.23 0.00 0.00 176.35 174.77 3k84 s PRO 313 N 1.97 1.51 -0.24 1.29 0.04 -1.26 -4.92 135.00 133.38 3k84 s PRO 313 Ca 0.07 1.32 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 3k84 s PRO 313 Cb -0.23 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 3k84 s PRO 313 CO 0.08 -2.21 1.65 0.12 0.04 0.00 0.00 177.00 176.67 3k84 s PHE 314 N -2.77 2.05 -1.00 0.56 5.36 -1.26 -4.94 117.98 115.98 3k84 s PHE 314 Ca 0.64 0.55 -0.23 0.00 -0.96 0.00 0.00 56.93 56.93 3k84 s PHE 314 Cb -0.20 -4.02 0.04 0.00 -0.34 0.00 0.00 43.02 38.50 3k84 s PHE 314 CO 0.57 -2.94 1.49 1.03 -1.46 0.00 0.00 175.22 173.92 3k84 s ARG 315 N 4.86 3.49 0.23 10.12 0.52 -1.26 -4.86 118.95 132.05 3k84 s ARG 315 Ca 0.73 -1.03 -0.06 0.00 -0.52 0.00 0.00 55.73 54.85 3k84 s ARG 315 Cb -0.24 -5.31 0.35 0.00 0.52 0.00 0.00 34.95 30.27 3k84 s ARG 315 CO 0.30 -2.31 1.81 0.93 0.02 0.00 0.00 175.30 176.05 3k84 h GLU 316 N 9.95 0.73 -0.27 3.54 4.39 -1.99 -2.40 114.58 128.52 3k84 h GLU 316 Ca 0.18 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.86 3k84 h GLU 316 Cb 1.01 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 3k84 h GLU 316 CO 1.41 0.48 0.18 1.05 -1.16 0.00 0.00 179.01 180.97 3k84 h GLU 317 N 0.75 0.28 0.02 2.33 9.09 -1.96 0.30 114.58 125.38 3k84 h GLU 317 Ca 0.36 -0.02 -0.13 0.00 0.05 0.00 0.00 59.36 59.63 3k84 h GLU 317 Cb 0.31 -0.06 0.01 0.00 -1.65 0.00 0.00 28.75 27.36 3k84 h GLU 317 CO -0.23 0.18 -0.51 0.28 0.05 0.00 0.00 179.01 178.78 3k84 h VAL 318 N 0.28 1.49 -0.33 -1.06 2.07 -1.82 -2.76 116.25 114.13 3k84 h VAL 318 Ca 0.11 -2.13 0.03 0.00 0.82 0.00 0.00 66.70 65.54 3k84 h VAL 318 Cb 0.09 2.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 3k84 h VAL 318 CO -0.02 0.60 0.12 0.22 0.02 0.00 0.00 177.57 178.51 3k84 h TYR 319 N -0.30 0.21 0.00 1.57 3.20 -1.01 -2.85 116.97 117.78 3k84 h TYR 319 Ca -0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3k84 h TYR 319 Cb 1.27 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.49 3k84 h TYR 319 CO 0.17 0.09 0.00 0.54 -1.64 0.00 0.00 178.16 177.32 3k84 n ARG 320 N -5.02 0.59 -1.92 1.82 5.12 0.99 -4.41 116.66 113.84 3k84 n ARG 320 Ca 0.00 0.01 -0.34 0.00 -1.93 0.00 0.00 57.85 55.59 3k84 n ARG 320 Cb 0.11 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 29.95 3k84 n ARG 320 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3k84 s SER 321 N -2.37 5.21 -0.10 0.55 1.04 -1.04 -4.98 113.70 112.02 3k84 s SER 321 Ca 0.33 2.15 0.19 0.00 0.48 0.00 0.00 55.95 59.10 3k84 s SER 321 Cb 0.19 -2.57 0.43 0.00 0.10 0.00 0.00 66.02 64.17 3k84 s SER 321 CO 0.40 -1.56 1.19 -1.54 0.98 0.00 0.00 173.24 172.71 3k84 n SER 322 N -1.98 1.35 -4.82 7.02 3.41 -1.26 -5.03 113.62 112.31 3k84 n SER 322 Ca 0.12 -2.82 -0.33 0.00 -0.26 0.00 0.00 58.87 55.57 3k84 n SER 322 Cb 0.51 -0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 3k84 n SER 322 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3k84 s ARG 323 N -1.46 3.97 0.57 4.33 0.52 -1.26 -5.02 118.95 120.60 3k84 s ARG 323 Ca 0.36 1.13 -0.21 0.00 -0.52 0.00 0.00 55.73 56.49 3k84 s ARG 323 Cb 0.38 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.67 3k84 s ARG 323 CO -0.12 -0.26 1.32 -2.30 0.02 0.00 0.00 175.30 173.96 3k84 n PRO 324 N -1.11 1.52 -5.03 3.54 -0.02 -1.26 -5.01 135.00 127.63 3k84 n PRO 324 Ca 0.07 0.57 -0.31 0.00 -2.02 0.00 0.00 63.50 61.81 3k84 n PRO 324 Cb 0.54 -2.54 -0.15 0.00 -0.02 0.00 0.00 33.50 31.33 3k84 n PRO 324 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k84 s LEU 325 N -3.51 2.20 -0.43 2.45 1.43 -1.26 -5.00 118.68 114.56 3k84 s LEU 325 Ca 0.74 -0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 53.09 3k84 s LEU 325 Cb -0.41 -1.34 0.02 0.00 0.03 0.00 0.00 46.19 44.49 3k84 s LEU 325 CO 0.47 0.29 0.86 -0.13 0.23 0.00 0.00 176.35 178.07 3k84 s ARG 326 N -1.00 3.58 -0.33 1.70 0.52 -1.26 -1.18 118.95 120.98 3k84 s ARG 326 Ca 0.11 0.18 -0.05 0.00 -0.52 0.00 0.00 55.73 55.45 3k84 s ARG 326 Cb -0.10 -3.89 0.05 0.00 0.52 0.00 0.00 34.95 31.53 3k84 s ARG 326 CO 0.01 -1.09 0.09 0.08 0.02 0.00 0.00 175.30 174.42 3k84 s VAL 327 N 3.47 3.59 0.50 3.52 1.01 0.11 -0.99 120.40 131.61 3k84 s VAL 327 Ca 0.34 -1.23 -0.22 0.00 0.00 0.00 0.00 61.98 60.87 3k84 s VAL 327 Cb -0.11 -3.06 -0.06 0.00 0.00 0.00 0.00 36.38 33.14 3k84 s VAL 327 CO 0.22 -0.19 1.18 -0.83 0.00 0.00 0.00 175.10 175.48 3k84 s GLY 328 N 1.41 2.75 -0.06 4.51 0.00 -0.04 -0.24 107.32 115.64 3k84 s GLY 328 Ca -0.02 0.94 -0.21 0.00 0.00 0.00 0.00 44.72 45.44 3k84 s GLY 328 CO 0.02 1.37 0.47 -2.52 0.00 0.00 0.00 173.10 172.44 3k84 s TYR 329 N -1.59 -0.42 0.02 1.90 -0.85 -0.27 0.47 117.35 116.62 3k84 s TYR 329 Ca 0.68 0.79 0.00 0.00 -0.52 0.00 0.00 57.07 58.02 3k84 s TYR 329 Cb -0.28 0.22 -0.02 0.00 0.38 0.00 0.00 41.96 42.25 3k84 s TYR 329 CO 0.34 -0.43 -0.04 1.52 -1.52 0.00 0.00 175.55 175.42 3k84 s TYR 330 N -0.93 0.32 -0.32 -3.49 1.13 -1.06 -1.37 117.35 111.64 3k84 s TYR 330 Ca -0.10 -0.52 0.23 0.00 -1.41 0.00 0.00 57.07 55.27 3k84 s TYR 330 Cb -0.03 -0.22 -0.02 0.00 -1.10 0.00 0.00 41.96 40.59 3k84 s TYR 330 CO 0.05 -0.17 0.96 0.39 -2.51 0.00 0.00 175.55 174.27 3k84 n GLU 331 N 1.60 0.52 -3.62 -3.49 1.02 -1.26 -3.88 120.64 111.53 3k84 n GLU 331 Ca -0.24 0.03 -0.16 0.00 -0.02 0.00 0.00 57.16 56.78 3k84 n GLU 331 Cb 0.55 -1.71 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 3k84 n GLU 331 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3k84 s THR 332 N -3.34 0.02 -2.51 2.62 -1.32 -1.26 -4.73 115.64 105.13 3k84 s THR 332 Ca -0.00 -0.19 0.23 0.00 -1.21 0.00 0.00 61.69 60.52 3k84 s THR 332 Cb 0.12 -0.84 0.42 0.00 -1.51 0.00 0.00 72.50 70.68 3k84 s THR 332 CO 0.81 -0.10 1.50 -0.90 -2.21 0.00 0.00 174.62 173.71 3k84 n ASP 333 N 1.08 2.33 -1.94 8.08 3.85 -1.26 -4.94 116.55 123.74 3k84 n ASP 333 Ca -0.20 -1.79 -0.21 0.00 -0.71 0.00 0.00 54.79 51.88 3k84 n ASP 333 Cb 0.57 -0.10 -0.05 0.00 -1.35 0.00 0.00 41.12 40.18 3k84 n ASP 333 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3k84 n ASN 334 N 0.77 -5.60 0.08 -1.12 3.02 -1.26 -4.78 115.26 106.37 3k84 n ASN 334 Ca 0.17 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 3k84 n ASN 334 Cb 0.45 -4.82 0.00 0.00 -0.61 0.00 0.00 39.78 34.80 3k84 n ASN 334 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k84 n TYR 335 N -3.06 -0.73 -3.65 3.10 4.19 -1.26 -4.97 117.16 110.78 3k84 n TYR 335 Ca -0.22 0.13 -0.39 0.00 3.31 0.00 0.00 57.90 60.72 3k84 n TYR 335 Cb 0.68 0.17 -0.12 0.00 0.49 0.00 0.00 39.34 40.56 3k84 n TYR 335 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 3k84 s THR 336 N -2.00 4.39 0.02 2.97 2.01 -1.26 -4.60 115.64 117.17 3k84 s THR 336 Ca 0.00 -0.83 -0.35 0.00 0.31 0.00 0.00 61.69 60.82 3k84 s THR 336 Cb 0.00 -3.41 -0.13 0.00 0.01 0.00 0.00 72.50 68.96 3k84 s THR 336 CO 0.00 -0.16 1.69 0.80 -0.69 0.00 0.00 174.62 176.26 3k84 n MET 337 N 4.95 1.98 -2.18 4.92 0.00 -1.26 -4.45 117.12 121.09 3k84 n MET 337 Ca -0.12 0.72 -0.37 0.00 -0.00 0.00 0.00 57.70 57.93 3k84 n MET 337 Cb 0.46 -2.50 0.00 0.00 0.00 0.00 0.00 33.22 31.19 3k84 n MET 337 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3k84 s PRO 338 N 2.32 3.57 0.73 2.12 0.04 -1.26 -4.97 135.00 137.55 3k84 s PRO 338 Ca 0.86 1.82 -0.15 0.00 0.04 0.00 0.00 61.00 63.57 3k84 s PRO 338 Cb -0.74 -2.31 0.04 0.00 0.04 0.00 0.00 34.50 31.53 3k84 s PRO 338 CO 0.46 -0.72 1.23 -1.54 0.04 0.00 0.00 177.00 176.48 3k84 s SER 339 N -1.37 4.08 0.24 6.66 1.04 -1.26 -4.80 113.70 118.29 3k84 s SER 339 Ca 0.67 2.44 -0.06 0.00 0.48 0.00 0.00 55.95 59.48 3k84 s SER 339 Cb -0.30 -2.60 0.43 0.00 0.10 0.00 0.00 66.02 63.65 3k84 s SER 339 CO 0.35 -2.34 1.67 -0.65 0.98 0.00 0.00 173.24 173.26 3k84 h PRO 340 N -0.27 0.21 -0.73 4.02 0.11 -1.92 -1.11 132.00 132.30 3k84 h PRO 340 Ca -0.48 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.69 3k84 h PRO 340 Cb 1.31 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 3k84 h PRO 340 CO 0.49 0.14 0.41 0.00 -0.21 0.00 0.00 178.00 178.83 3k84 h ALA 341 N 1.61 1.01 -0.37 -0.75 0.00 -1.90 -1.52 119.26 117.33 3k84 h ALA 341 Ca 0.40 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3k84 h ALA 341 Cb 0.68 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3k84 h ALA 341 CO -0.53 0.08 0.24 0.52 0.00 0.00 0.00 179.25 179.55 3k84 h MET 342 N 0.73 0.49 -0.37 0.00 2.86 -1.46 -1.63 114.93 115.55 3k84 h MET 342 Ca 0.34 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.83 3k84 h MET 342 Cb 0.25 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3k84 h MET 342 CO -0.21 0.34 -0.23 -0.09 1.06 0.00 0.00 176.91 177.79 3k84 h ARG 343 N 0.50 0.81 -0.19 1.72 2.43 -1.02 -1.97 114.38 116.66 3k84 h ARG 343 Ca 0.14 -0.38 -0.00 0.00 -0.81 0.00 0.00 59.98 58.93 3k84 h ARG 343 Cb -0.04 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3k84 h ARG 343 CO -0.03 1.01 0.12 -0.09 -1.51 0.00 0.00 179.97 179.46 3k84 h ARG 344 N 0.61 0.26 -0.51 0.20 2.43 -1.23 0.08 114.38 116.22 3k84 h ARG 344 Ca 0.08 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 3k84 h ARG 344 Cb 0.79 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.22 3k84 h ARG 344 CO 0.06 0.21 0.18 0.00 -1.51 0.00 0.00 179.97 178.91 3k84 h ALA 345 N 1.03 0.62 0.51 2.80 0.00 -1.23 0.37 119.26 123.36 3k84 h ALA 345 Ca 0.07 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3k84 h ALA 345 Cb 0.02 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.87 3k84 h ALA 345 CO -0.01 -0.22 -0.25 1.25 0.00 0.00 0.00 179.25 180.02 3k84 h LEU 346 N 0.35 -0.58 -0.58 0.00 7.12 -1.20 -2.09 115.31 118.33 3k84 h LEU 346 Ca 0.25 -0.01 0.03 0.00 0.13 0.00 0.00 57.88 58.28 3k84 h LEU 346 Cb 0.27 0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.51 3k84 h LEU 346 CO -0.26 -0.37 0.34 0.40 -0.13 0.00 0.00 178.44 178.42 3k84 h ILE 347 N -0.75 1.03 -0.36 4.05 2.04 -0.68 -0.75 117.51 122.10 3k84 h ILE 347 Ca -0.07 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 3k84 h ILE 347 Cb 0.56 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3k84 h ILE 347 CO 0.12 0.12 -0.06 -0.33 0.00 0.00 0.00 178.15 178.00 3k84 h GLU 348 N 0.66 0.60 -0.07 2.37 5.08 -0.27 -0.77 114.58 122.17 3k84 h GLU 348 Ca 0.24 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 3k84 h GLU 348 Cb 0.06 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 3k84 h GLU 348 CO -0.12 0.66 -0.04 1.15 -1.00 0.00 0.00 179.01 179.66 3k84 h THR 349 N 0.56 1.33 -0.43 1.13 2.02 -1.05 -1.96 112.91 114.52 3k84 h THR 349 Ca 0.11 -1.08 0.09 0.00 0.77 0.00 0.00 66.41 66.30 3k84 h THR 349 Cb 0.44 1.91 -0.09 0.00 -1.74 0.00 0.00 68.15 68.67 3k84 h THR 349 CO 0.02 0.30 -0.22 0.50 0.37 0.00 0.00 175.52 176.49 3k84 h LYS 350 N -0.24 -0.13 -0.12 6.66 3.64 -0.90 0.32 116.57 125.80 3k84 h LYS 350 Ca 0.01 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3k84 h LYS 350 Cb 0.50 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3k84 h LYS 350 CO 0.01 -0.09 0.06 1.96 -2.27 0.00 0.00 179.45 179.13 3k84 h GLN 351 N -0.13 0.13 -0.01 1.90 4.20 -1.12 -1.40 115.11 118.69 3k84 h GLN 351 Ca 0.21 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 3k84 h GLN 351 Cb 0.45 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3k84 h GLN 351 CO -0.51 0.09 -0.29 0.00 -0.67 0.00 0.00 178.83 177.45 3k84 h ARG 352 N 0.14 0.01 -0.38 1.46 3.08 -1.06 -1.15 114.38 116.47 3k84 h ARG 352 Ca 0.05 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3k84 h ARG 352 Cb 0.00 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3k84 h ARG 352 CO -0.03 0.30 0.10 -0.07 -1.07 0.00 0.00 179.97 179.20 3k84 h LEU 353 N 0.01 0.57 -0.73 3.04 3.38 -0.51 -2.20 115.31 118.88 3k84 h LEU 353 Ca -0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3k84 h LEU 353 Cb 0.52 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3k84 h LEU 353 CO 0.04 0.65 0.37 -0.33 0.09 0.00 0.00 178.44 179.25 3k84 h GLU 354 N 0.47 1.04 0.00 1.13 5.08 -0.86 -1.62 114.58 119.82 3k84 h GLU 354 Ca 0.12 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3k84 h GLU 354 Cb 0.29 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3k84 h GLU 354 CO -0.00 0.80 -0.08 0.00 -1.00 0.00 0.00 179.01 178.73 3k84 h ALA 355 N 1.18 1.52 -0.26 3.43 0.00 -1.16 -2.54 119.26 121.44 3k84 h ALA 355 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3k84 h ALA 355 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3k84 h ALA 355 CO -0.03 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.32 3k84 n ALA 356 N -2.37 2.48 0.00 0.00 0.00 -0.66 -4.92 120.51 115.05 3k84 n ALA 356 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.77 3k84 n ALA 356 Cb 0.17 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3k84 n ALA 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k84 n GLY 357 N 1.20 0.64 3.84 0.00 0.00 -0.95 -5.02 105.19 104.90 3k84 n GLY 357 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 3k84 n GLY 357 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k84 s HIS 358 N -2.00 3.38 -0.29 1.61 3.76 -0.90 -4.72 115.29 116.13 3k84 s HIS 358 Ca 0.00 1.35 -0.13 0.00 -0.15 0.00 0.00 55.06 56.13 3k84 s HIS 358 Cb 0.00 -2.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.00 3k84 s HIS 358 CO 0.00 -0.06 0.27 0.99 -0.85 0.00 0.00 174.74 175.09 3k84 s THR 359 N -2.18 5.25 -0.28 1.30 2.01 -0.33 -4.16 115.64 117.25 3k84 s THR 359 Ca 0.57 0.26 -0.11 0.00 0.31 0.00 0.00 61.69 62.73 3k84 s THR 359 Cb -0.10 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 3k84 s THR 359 CO 0.20 0.16 0.17 -0.76 -0.69 0.00 0.00 174.62 173.70 3k84 s LEU 360 N 1.89 3.97 -0.19 4.42 2.01 -1.26 0.08 118.68 129.60 3k84 s LEU 360 Ca 0.10 -0.09 0.01 0.00 0.01 0.00 0.00 54.13 54.16 3k84 s LEU 360 Cb -0.16 -2.09 0.02 0.00 0.01 0.00 0.00 46.19 43.98 3k84 s LEU 360 CO 0.11 -0.07 -0.19 -0.63 1.01 0.00 0.00 176.35 176.58 3k84 s ILE 361 N 1.73 2.07 0.20 -0.59 1.01 0.67 -4.97 121.20 121.32 3k84 s ILE 361 Ca 0.07 -1.02 -0.33 0.00 0.00 0.00 0.00 60.65 59.38 3k84 s ILE 361 Cb -0.16 -1.90 -0.13 0.00 0.01 0.00 0.00 42.46 40.28 3k84 s ILE 361 CO 0.10 0.47 1.64 -2.65 0.00 0.00 0.00 174.94 174.50 3k84 n PRO 362 N 4.60 2.50 -3.65 2.79 -0.02 -1.26 -1.11 135.00 138.85 3k84 n PRO 362 Ca -0.20 0.90 -0.07 0.00 -2.02 0.00 0.00 63.50 62.11 3k84 n PRO 362 Cb 0.49 -2.70 -0.07 0.00 -0.02 0.00 0.00 33.50 31.20 3k84 n PRO 362 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3k84 s PHE 363 N 0.91 -1.04 -0.07 6.00 2.19 -0.47 -4.79 117.98 120.71 3k84 s PHE 363 Ca 0.75 2.05 -0.00 0.00 0.33 0.00 0.00 56.93 60.05 3k84 s PHE 363 Cb -0.58 0.61 0.02 0.00 -1.31 0.00 0.00 43.02 41.76 3k84 s PHE 363 CO 0.37 -0.52 -0.03 -1.17 1.83 0.00 0.00 175.22 175.69 3k84 s LEU 364 N 1.76 0.96 0.30 6.12 2.96 -1.26 -3.75 118.68 125.76 3k84 s LEU 364 Ca -0.09 -0.15 -0.28 0.00 -0.22 0.00 0.00 54.13 53.38 3k84 s LEU 364 Cb -0.06 -0.53 -0.14 0.00 0.50 0.00 0.00 46.19 45.96 3k84 s LEU 364 CO -0.19 -0.13 1.13 -2.65 -1.32 0.00 0.00 176.35 173.20 3k84 n PRO 365 N 4.73 1.64 -2.10 0.98 -0.02 -1.26 -4.92 135.00 134.05 3k84 n PRO 365 Ca -0.14 0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 3k84 n PRO 365 Cb 0.50 -2.04 0.02 0.00 -0.02 0.00 0.00 33.50 31.96 3k84 n PRO 365 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3k84 s ASN 366 N -0.39 5.54 -1.37 2.55 2.20 -1.26 -4.16 114.94 118.04 3k84 s ASN 366 Ca 0.59 2.11 -0.04 0.00 -0.94 0.00 0.00 52.86 54.58 3k84 s ASN 366 Cb -0.66 -2.57 0.02 0.00 -2.00 0.00 0.00 41.25 36.04 3k84 s ASN 366 CO 0.60 -1.34 0.79 0.59 -2.94 0.00 0.00 177.10 174.80 3k84 n ASN 367 N -1.66 -2.33 -0.35 3.54 3.02 -1.26 -4.91 115.26 111.31 3k84 n ASN 367 Ca 0.11 -0.80 -0.02 0.00 -0.03 0.00 0.00 54.58 53.84 3k84 n ASN 367 Cb 0.51 -4.04 0.12 0.00 -0.61 0.00 0.00 39.78 35.76 3k84 n ASN 367 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3k84 h ILE 368 N -1.96 1.25 -0.71 2.41 2.04 -1.93 -2.14 117.51 116.47 3k84 h ILE 368 Ca -0.60 -0.50 0.05 0.00 1.00 0.00 0.00 64.86 64.81 3k84 h ILE 368 Cb 1.36 -0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 3k84 h ILE 368 CO 0.59 0.25 0.42 -0.65 0.00 0.00 0.00 178.15 178.77 3k84 h PRO 369 N 1.31 0.76 -0.03 2.37 0.11 -1.93 -1.41 132.00 133.18 3k84 h PRO 369 Ca 0.35 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.44 3k84 h PRO 369 Cb -0.11 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 30.79 3k84 h PRO 369 CO -0.07 0.50 -0.17 -0.92 -0.21 0.00 0.00 178.00 177.13 3k84 h TYR 370 N 0.78 -0.45 -0.85 0.65 3.20 -1.90 0.18 116.97 118.58 3k84 h TYR 370 Ca 0.31 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.25 3k84 h TYR 370 Cb 0.14 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 3k84 h TYR 370 CO -0.06 -0.25 0.56 0.00 -1.64 0.00 0.00 178.16 176.77 3k84 h ALA 371 N 0.68 1.55 0.00 1.82 0.00 -1.01 0.12 119.26 122.42 3k84 h ALA 371 Ca 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3k84 h ALA 371 Cb 0.35 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3k84 h ALA 371 CO -0.19 0.33 -0.22 -0.07 0.00 0.00 0.00 179.25 179.11 3k84 h LEU 372 N 0.97 0.00 0.06 0.00 3.38 -1.10 -0.20 115.31 118.42 3k84 h LEU 372 Ca 0.36 -0.60 -0.28 0.00 0.09 0.00 0.00 57.88 57.46 3k84 h LEU 372 Cb 0.18 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.94 3k84 h LEU 372 CO -0.13 0.92 -1.20 -0.33 0.09 0.00 0.00 178.44 177.80 3k84 h GLU 373 N -1.00 0.42 0.00 1.13 5.08 -0.61 -2.33 114.58 117.28 3k84 h GLU 373 Ca -0.05 -0.60 -0.25 0.00 -1.00 0.00 0.00 59.36 57.46 3k84 h GLU 373 Cb 0.75 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 3k84 h GLU 373 CO -0.03 1.26 -1.67 0.28 -1.00 0.00 0.00 179.01 177.84 3k84 n VAL 374 N -3.67 1.51 -0.04 3.13 0.31 0.36 -4.31 118.33 115.61 3k84 n VAL 374 Ca -0.10 -0.11 -0.15 0.00 -0.01 0.00 0.00 64.34 63.97 3k84 n VAL 374 Cb 0.98 -2.10 -0.12 0.00 -0.91 0.00 0.00 33.84 31.69 3k84 n VAL 374 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3k84 h LEU 375 N -1.00 0.08 0.12 7.52 3.38 -1.44 -2.21 115.31 121.76 3k84 h LEU 375 Ca -0.37 -0.89 -0.01 0.00 0.09 0.00 0.00 57.88 56.70 3k84 h LEU 375 Cb 1.27 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3k84 h LEU 375 CO -0.23 0.96 -0.06 0.28 0.09 0.00 0.00 178.44 179.49 3k84 h SER 376 N -0.79 -0.13 -0.67 -0.43 0.02 -1.07 0.66 113.55 111.13 3k84 h SER 376 Ca -0.02 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3k84 h SER 376 Cb 0.99 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.53 3k84 h SER 376 CO 0.02 0.43 0.41 0.74 -1.14 0.00 0.00 176.83 177.29 3k84 h THR 377 N -0.79 1.19 -0.35 -2.27 2.02 -1.59 -0.99 112.91 110.14 3k84 h THR 377 Ca -0.02 -0.43 -0.17 0.00 0.77 0.00 0.00 66.41 66.56 3k84 h THR 377 Cb 0.55 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3k84 h THR 377 CO 0.03 0.20 -0.43 1.23 0.37 0.00 0.00 175.52 176.91 3k84 h GLY 378 N 0.92 1.00 0.96 2.16 0.00 -1.34 -1.49 103.07 105.27 3k84 h GLY 378 Ca 0.24 -1.07 -0.00 0.00 0.00 0.00 0.00 47.33 46.50 3k84 h GLY 378 CO -0.05 0.96 0.04 -1.33 0.00 0.00 0.00 176.54 176.17 3k84 h GLY 379 N 0.72 0.09 2.00 4.60 0.00 -0.71 0.27 103.07 110.04 3k84 h GLY 379 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 3k84 h GLY 379 CO 0.10 0.04 -0.43 1.41 0.00 0.00 0.00 176.54 177.66 3k84 h LEU 380 N 0.04 0.00 -4.30 3.11 3.38 -1.21 -3.31 115.31 113.02 3k84 h LEU 380 Ca 0.02 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.54 3k84 h LEU 380 Cb 0.04 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 40.37 3k84 h LEU 380 CO -0.00 0.43 -0.91 0.49 0.09 0.00 0.00 178.44 178.53 3k84 n PHE 381 N -3.84 2.29 0.13 1.13 3.72 -0.56 -4.86 117.46 115.46 3k84 n PHE 381 Ca -0.01 -2.22 0.15 0.00 -0.05 0.00 0.00 57.45 55.31 3k84 n PHE 381 Cb 0.48 -0.30 0.68 0.00 -0.94 0.00 0.00 39.48 39.41 3k84 n PHE 381 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3k84 h SER 382 N 2.33 0.00 -0.52 4.37 0.02 -1.03 -1.26 113.55 117.45 3k84 h SER 382 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 3k84 h SER 382 Cb 1.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.98 3k84 h SER 382 CO 0.58 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.37 3k84 n ASP 383 N -4.39 4.16 0.00 3.07 5.75 -1.26 -2.04 116.55 121.83 3k84 n ASP 383 Ca 0.04 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.38 3k84 n ASP 383 Cb 0.36 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 3k84 n ASP 383 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k84 n GLY 384 N 0.91 0.87 0.41 6.12 0.00 -0.48 -3.30 105.19 109.73 3k84 n GLY 384 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3k84 n GLY 384 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k84 n GLY 385 N -2.08 0.67 0.14 -0.02 0.00 -1.26 -4.77 105.19 97.87 3k84 n GLY 385 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3k84 n GLY 385 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3k84 h ARG 386 N 4.39 -0.24 -0.19 1.61 2.47 -1.89 0.32 114.38 120.85 3k84 h ARG 386 Ca 0.00 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.77 3k84 h ARG 386 Cb 0.00 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.35 3k84 h ARG 386 CO 0.00 -0.16 0.01 0.77 0.56 0.00 0.00 179.97 181.15 3k84 h SER 387 N -0.25 -0.05 -0.65 7.04 0.02 -1.95 -2.35 113.55 115.36 3k84 h SER 387 Ca -0.01 0.04 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 3k84 h SER 387 Cb 0.21 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.75 3k84 h SER 387 CO 0.01 0.00 0.32 0.15 -1.14 0.00 0.00 176.83 176.18 3k84 h PHE 388 N 0.08 0.58 0.00 3.45 3.57 -1.78 -2.60 116.94 120.23 3k84 h PHE 388 Ca 0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3k84 h PHE 388 Cb 0.10 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 3k84 h PHE 388 CO -0.16 0.23 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.03 3k84 h LEU 389 N 0.57 0.00 -1.68 0.59 3.38 -0.46 -2.56 115.31 115.15 3k84 h LEU 389 Ca 0.31 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.37 3k84 h LEU 389 Cb 0.29 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3k84 h LEU 389 CO -0.24 0.05 0.36 1.56 0.09 0.00 0.00 178.44 180.26 3k84 h GLN 390 N 0.00 0.36 0.00 1.13 1.08 -1.02 -1.99 115.11 114.67 3k84 h GLN 390 Ca -0.00 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3k84 h GLN 390 Cb 0.39 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3k84 h GLN 390 CO 0.01 0.24 -0.10 -0.91 -0.95 0.00 0.00 178.83 177.11 3k84 h ASN 391 N 0.37 0.00 0.01 1.46 2.35 -1.60 -3.05 115.58 115.13 3k84 h ASN 391 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3k84 h ASN 391 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3k84 h ASN 391 CO -0.06 0.10 -0.16 0.49 -1.65 0.00 0.00 177.43 176.15 3k84 n PHE 392 N -4.15 0.00 -1.86 1.19 3.72 -0.75 -4.73 117.46 110.88 3k84 n PHE 392 Ca -0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 3k84 n PHE 392 Cb 0.18 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 3k84 n PHE 392 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3k84 s LYS 393 N -2.19 4.09 0.00 -1.08 1.02 -1.15 -1.13 119.74 119.29 3k84 s LYS 393 Ca 0.27 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.58 3k84 s LYS 393 Cb 0.20 -4.08 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 3k84 s LYS 393 CO 0.41 -0.98 0.00 0.41 -0.92 0.00 0.00 175.35 174.27 3k84 n GLY 394 N 4.41 0.64 3.76 -3.33 0.00 -1.26 -4.97 105.19 104.44 3k84 n GLY 394 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 3k84 n GLY 394 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k84 s ASP 395 N -2.30 5.20 0.64 1.61 -1.08 -0.29 -4.38 116.67 116.08 3k84 s ASP 395 Ca 0.00 -0.36 -0.15 0.00 -0.52 0.00 0.00 52.55 51.52 3k84 s ASP 395 Cb 0.00 -1.23 -0.01 0.00 -1.46 0.00 0.00 42.92 40.22 3k84 s ASP 395 CO 0.00 -0.01 1.10 -0.36 0.52 0.00 0.00 175.17 176.42 3k84 s PHE 396 N -2.12 2.72 -0.27 -5.34 0.40 -1.26 -5.02 117.98 107.09 3k84 s PHE 396 Ca 0.32 1.54 -0.04 0.00 -0.60 0.00 0.00 56.93 58.14 3k84 s PHE 396 Cb -0.08 -3.13 0.01 0.00 0.51 0.00 0.00 43.02 40.34 3k84 s PHE 396 CO 0.23 -1.54 0.01 0.08 0.70 0.00 0.00 175.22 174.71 3k84 s VAL 397 N -2.37 3.49 0.30 -0.44 1.01 -1.26 -4.95 120.40 116.18 3k84 s VAL 397 Ca 0.66 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 3k84 s VAL 397 Cb -0.19 -2.77 -0.12 0.00 0.00 0.00 0.00 36.38 33.30 3k84 s VAL 397 CO 0.40 0.16 1.58 -0.67 0.00 0.00 0.00 175.10 176.57 3k84 n ASP 398 N 4.78 3.82 0.08 3.32 -0.08 -1.26 -4.87 116.55 122.34 3k84 n ASP 398 Ca -0.16 1.16 0.19 0.00 -1.51 0.00 0.00 54.79 54.48 3k84 n ASP 398 Cb 0.48 -1.59 0.74 0.00 2.34 0.00 0.00 41.12 43.08 3k84 n ASP 398 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3k84 h PRO 399 N 4.51 0.00 0.00 -0.67 0.11 -1.94 -2.07 132.00 131.94 3k84 h PRO 399 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3k84 h PRO 399 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3k84 h PRO 399 CO 0.77 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 3k84 n LEU 401 N -1.98 0.59 0.00 0.00 4.77 -0.78 -3.60 117.00 116.00 3k84 n LEU 401 Ca 0.01 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3k84 n LEU 401 Cb 0.14 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3k84 n LEU 401 CO 0.13 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3k84 n GLY 402 N 1.24 2.85 1.64 -0.72 0.00 -0.77 -2.84 105.19 106.59 3k84 n GLY 402 Ca 0.16 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.92 3k84 n GLY 402 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k84 n ASP 403 N 2.76 5.09 -0.21 1.61 8.00 -1.26 -4.68 116.55 127.87 3k84 n ASP 403 Ca 0.00 -2.72 -0.04 0.00 0.71 0.00 0.00 54.79 52.74 3k84 n ASP 403 Cb 0.00 -0.62 0.07 0.00 -0.02 0.00 0.00 41.12 40.55 3k84 n ASP 403 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3k84 h LEU 404 N 3.77 0.56 -0.24 0.64 5.85 -1.84 0.12 115.31 124.17 3k84 h LEU 404 Ca 0.00 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3k84 h LEU 404 Cb 1.68 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 3k84 h LEU 404 CO 0.35 0.38 -0.15 0.40 -0.34 0.00 0.00 178.44 179.08 3k84 h ILE 405 N 0.69 1.31 -0.76 4.05 1.08 -1.83 0.49 117.51 122.53 3k84 h ILE 405 Ca 0.25 -1.26 0.07 0.00 -0.39 0.00 0.00 64.86 63.54 3k84 h ILE 405 Cb 0.07 1.61 -0.06 0.00 -3.07 0.00 0.00 36.82 35.38 3k84 h ILE 405 CO -0.13 0.39 0.44 0.25 -0.69 0.00 0.00 178.15 178.42 3k84 h LEU 406 N 0.23 0.67 -0.03 1.44 6.46 -1.78 -1.68 115.31 120.63 3k84 h LEU 406 Ca 0.05 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 3k84 h LEU 406 Cb 0.67 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 3k84 h LEU 406 CO 0.04 0.42 -0.08 0.40 -0.62 0.00 0.00 178.44 178.61 3k84 h ILE 407 N 0.80 1.46 -0.77 4.05 2.04 -0.60 -3.15 117.51 121.35 3k84 h ILE 407 Ca 0.34 -1.48 0.11 0.00 1.00 0.00 0.00 64.86 64.83 3k84 h ILE 407 Cb 0.22 2.38 -0.05 0.00 -0.74 0.00 0.00 36.82 38.62 3k84 h ILE 407 CO -0.19 0.40 0.51 -0.07 0.00 0.00 0.00 178.15 178.79 3k84 h LEU 408 N -0.46 0.59 -1.53 1.44 3.38 -0.85 -1.96 115.31 115.91 3k84 h LEU 408 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3k84 h LEU 408 Cb 0.69 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3k84 h LEU 408 CO 0.02 0.34 0.00 0.03 0.09 0.00 0.00 178.44 178.92 3k84 h ARG 409 N 0.65 0.00 -7.01 1.13 3.08 -1.26 -3.45 114.38 107.52 3k84 h ARG 409 Ca 0.36 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.87 3k84 h ARG 409 Cb 0.52 0.00 0.12 0.00 0.08 0.00 0.00 29.97 30.70 3k84 h ARG 409 CO -0.14 0.00 0.65 -0.51 -1.07 0.00 0.00 179.97 178.91 3k84 s LEU 410 N -5.78 4.01 0.58 3.04 1.43 -0.74 -4.94 118.68 116.29 3k84 s LEU 410 Ca 0.01 2.83 -0.20 0.00 -1.03 0.00 0.00 54.13 55.73 3k84 s LEU 410 Cb 0.09 -4.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.20 3k84 s LEU 410 CO 0.48 -1.31 1.35 -2.84 0.23 0.00 0.00 176.35 174.26 3k84 s PRO 411 N -2.63 2.92 0.27 1.29 0.02 -1.26 -4.77 135.00 130.83 3k84 s PRO 411 Ca 0.65 2.20 -0.00 0.00 0.02 0.00 0.00 61.00 63.87 3k84 s PRO 411 Cb -0.42 -2.11 0.58 0.00 0.02 0.00 0.00 34.50 32.57 3k84 s PRO 411 CO 0.52 -1.36 1.73 1.03 -0.33 0.00 0.00 177.00 178.59 3k84 h SER 412 N 1.13 0.37 -0.25 2.53 0.87 -1.95 0.36 113.55 116.61 3k84 h SER 412 Ca -0.51 0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.12 3k84 h SER 412 Cb 1.32 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.34 3k84 h SER 412 CO 0.56 0.10 -0.00 4.11 -0.53 0.00 0.00 176.83 181.07 3k84 h TRP 413 N 0.48 0.59 0.04 2.24 5.08 -1.99 -2.02 115.95 120.36 3k84 h TRP 413 Ca 0.48 -0.06 -0.24 0.00 1.08 0.00 0.00 58.89 60.16 3k84 h TRP 413 Cb 0.80 -0.17 0.00 0.00 -3.00 0.00 0.00 29.16 26.79 3k84 h TRP 413 CO -0.14 0.57 -1.02 0.35 -1.28 0.00 0.00 178.44 176.93 3k84 h PHE 414 N 0.54 0.52 -0.96 0.12 3.57 -1.35 -0.50 116.94 118.88 3k84 h PHE 414 Ca 0.11 -0.31 0.05 0.00 3.53 0.00 0.00 57.97 61.35 3k84 h PHE 414 Cb 0.35 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 3k84 h PHE 414 CO 0.01 1.16 0.63 0.87 -2.23 0.00 0.00 178.31 178.75 3k84 h LYS 415 N 0.16 1.13 0.01 1.11 1.57 -0.86 -0.38 116.57 119.31 3k84 h LYS 415 Ca -0.09 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3k84 h LYS 415 Cb 1.68 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.74 3k84 h LYS 415 CO 0.17 0.75 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.70 3k84 h ARG 416 N 1.16 -0.02 0.22 3.15 2.43 -1.19 -1.30 114.38 118.84 3k84 h ARG 416 Ca 0.40 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.56 3k84 h ARG 416 Cb 0.10 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3k84 h ARG 416 CO -0.14 0.46 -0.12 1.25 -1.51 0.00 0.00 179.97 179.91 3k84 h LEU 417 N -0.51 -0.29 -0.97 3.80 5.85 -1.00 -1.12 115.31 121.07 3k84 h LEU 417 Ca -0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3k84 h LEU 417 Cb 0.49 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 3k84 h LEU 417 CO 0.00 -0.20 0.64 0.25 -0.34 0.00 0.00 178.44 178.79 3k84 h LEU 418 N -0.32 1.07 -0.63 2.25 5.85 -1.15 -1.21 115.31 121.17 3k84 h LEU 418 Ca -0.03 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3k84 h LEU 418 Cb 0.26 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3k84 h LEU 418 CO 0.04 0.75 0.40 -1.28 -0.34 0.00 0.00 178.44 178.01 3k84 h SER 419 N 1.26 0.66 -0.35 1.25 0.87 -0.96 -0.65 113.55 115.62 3k84 h SER 419 Ca 0.38 -0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.83 3k84 h SER 419 Cb -0.05 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 3k84 h SER 419 CO -0.11 0.47 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.46 3k84 h LEU 420 N 0.79 0.78 -0.68 2.23 3.38 -0.50 -1.49 115.31 119.82 3k84 h LEU 420 Ca 0.25 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3k84 h LEU 420 Cb -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3k84 h LEU 420 CO -0.09 0.93 -0.26 -0.07 0.09 0.00 0.00 178.44 179.04 3k84 h LEU 421 N 0.71 0.76 0.00 1.67 4.07 -0.97 -3.21 115.31 118.35 3k84 h LEU 421 Ca 0.12 -0.29 -0.03 0.00 0.08 0.00 0.00 57.88 57.76 3k84 h LEU 421 Cb 0.62 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 3k84 h LEU 421 CO 0.04 0.99 -0.29 -0.07 -1.08 0.00 0.00 178.44 178.03 3k84 h LEU 422 N 0.64 0.00 -0.66 1.67 3.38 -1.01 -3.40 115.31 115.94 3k84 h LEU 422 Ca 0.08 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.16 3k84 h LEU 422 Cb 0.77 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 3k84 h LEU 422 CO 0.06 0.13 0.26 0.50 0.09 0.00 0.00 178.44 179.49 3k84 h LYS 423 N 0.00 0.44 -0.12 1.13 3.64 -1.27 0.26 116.57 120.66 3k84 h LYS 423 Ca -0.01 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3k84 h LYS 423 Cb 1.10 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 3k84 h LYS 423 CO 0.02 0.29 -0.06 -1.35 -2.27 0.00 0.00 179.45 176.08 3k84 h PRO 424 N 0.45 0.17 0.00 1.90 0.11 -1.78 -3.18 132.00 129.67 3k84 h PRO 424 Ca 0.34 -0.03 -0.41 0.00 0.11 0.00 0.00 66.00 66.01 3k84 h PRO 424 Cb 0.43 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.45 3k84 h PRO 424 CO -0.32 0.24 -2.36 1.28 -0.21 0.00 0.00 178.00 176.63 3k84 n LEU 425 N -4.38 1.95 -3.48 2.35 4.77 -0.75 -4.84 117.00 112.63 3k84 n LEU 425 Ca -0.01 0.34 -0.27 0.00 -0.03 0.00 0.00 56.01 56.04 3k84 n LEU 425 Cb 0.19 -0.82 -0.09 0.00 -2.33 0.00 0.00 43.42 40.38 3k84 n LEU 425 CO 0.36 0.48 -0.04 0.49 -1.33 0.00 0.00 177.39 177.35 3k84 n PHE 426 N -4.28 2.51 0.24 -1.77 3.01 0.86 -4.95 117.46 113.08 3k84 n PHE 426 Ca -0.50 -4.02 0.07 0.00 1.01 0.00 0.00 57.45 54.01 3k84 n PHE 426 Cb 0.84 -0.48 0.59 0.00 -0.01 0.00 0.00 39.48 40.43 3k84 n PHE 426 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3k84 h PRO 427 N 4.50 0.00 -0.21 -1.08 0.13 -1.67 -0.72 132.00 132.95 3k84 h PRO 427 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.27 3k84 h PRO 427 Cb 0.74 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.86 3k84 h PRO 427 CO 0.71 0.11 0.02 -0.09 -0.23 0.00 0.00 178.00 178.52 3k84 h ARG 428 N 0.00 0.36 -0.51 0.86 2.43 -1.92 -0.28 114.38 115.32 3k84 h ARG 428 Ca -0.00 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3k84 h ARG 428 Cb 0.21 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3k84 h ARG 428 CO 0.01 0.52 0.21 -0.07 -1.51 0.00 0.00 179.97 179.14 3k84 h LEU 429 N 0.14 0.69 -0.35 3.80 3.38 -1.82 -2.18 115.31 118.97 3k84 h LEU 429 Ca 0.06 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.91 3k84 h LEU 429 Cb 0.35 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 3k84 h LEU 429 CO 0.01 0.66 0.13 0.00 0.09 0.00 0.00 178.44 179.33 3k84 h ALA 430 N 1.06 0.41 -0.50 1.53 0.00 -1.07 -2.10 119.26 118.59 3k84 h ALA 430 Ca 0.17 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3k84 h ALA 430 Cb 0.18 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3k84 h ALA 430 CO -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 179.25 178.97 3k84 h ALA 431 N 1.22 1.05 0.51 0.00 0.00 -0.95 -1.64 119.26 119.45 3k84 h ALA 431 Ca 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3k84 h ALA 431 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3k84 h ALA 431 CO -0.16 0.59 -0.32 0.35 0.00 0.00 0.00 179.25 179.72 3k84 h PHE 432 N 0.78 -0.83 -0.62 0.00 -0.00 -1.19 -2.56 116.94 112.51 3k84 h PHE 432 Ca 0.15 -0.01 0.08 0.00 -0.00 0.00 0.00 57.97 58.18 3k84 h PHE 432 Cb 0.48 0.30 -0.06 0.00 -0.00 0.00 0.00 35.95 36.67 3k84 h PHE 432 CO 0.03 -0.48 0.30 -0.07 -0.00 0.00 0.00 178.31 178.08 3k84 h LEU 433 N -0.79 0.38 -1.48 0.59 3.38 -1.27 -2.50 115.31 113.63 3k84 h LEU 433 Ca -0.06 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3k84 h LEU 433 Cb 0.64 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3k84 h LEU 433 CO 0.06 0.24 -0.26 -1.13 0.09 0.00 0.00 178.44 177.43 3k84 h ASN 434 N 0.53 0.00 -0.39 -0.43 -1.24 -1.26 -3.16 115.58 109.64 3k84 h ASN 434 Ca 0.30 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.31 3k84 h ASN 434 Cb 0.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.33 3k84 h ASN 434 CO -0.24 0.26 0.00 0.59 -1.29 0.00 0.00 177.43 176.76 3k84 n ASN 435 N -4.12 3.25 -1.02 1.15 3.02 -0.96 -3.90 115.26 112.68 3k84 n ASN 435 Ca -0.02 -1.96 0.02 0.00 -0.03 0.00 0.00 54.58 52.59 3k84 n ASN 435 Cb 0.32 -0.25 0.23 0.00 -0.61 0.00 0.00 39.78 39.47 3k84 n ASN 435 CO 0.00 0.00 0.00 1.15 -2.62 0.00 0.00 177.26 175.79 3k84 n MET 436 N 1.34 2.34 -3.48 3.52 0.00 -1.11 -3.16 117.12 116.58 3k84 n MET 436 Ca 0.19 -2.99 -0.28 0.00 0.00 0.00 0.00 57.70 54.62 3k84 n MET 436 Cb 0.57 -1.83 -0.03 0.00 0.00 0.00 0.00 33.22 31.93 3k84 n MET 436 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3k84 s ARG 437 N -3.04 3.60 0.72 3.17 0.52 -1.25 -4.08 118.95 118.59 3k84 s ARG 437 Ca 0.43 -0.11 -0.14 0.00 -0.52 0.00 0.00 55.73 55.39 3k84 s ARG 437 Cb 0.37 -2.72 0.03 0.00 0.52 0.00 0.00 34.95 33.15 3k84 s ARG 437 CO 0.05 0.29 1.14 -1.25 0.02 0.00 0.00 175.30 175.55 3k84 s PRO 438 N -3.41 2.35 0.24 3.54 0.04 -1.26 -3.75 135.00 132.75 3k84 s PRO 438 Ca 0.42 1.47 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 3k84 s PRO 438 Cb -0.11 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 3k84 s PRO 438 CO 0.29 -1.61 0.46 -0.98 0.04 0.00 0.00 177.00 175.20 3k84 s ARG 439 N -4.23 1.50 0.78 4.56 1.70 -0.87 -4.84 118.95 117.56 3k84 s ARG 439 Ca 0.68 -1.21 -0.11 0.00 -0.47 0.00 0.00 55.73 54.62 3k84 s ARG 439 Cb -0.23 0.47 0.06 0.00 -0.57 0.00 0.00 34.95 34.68 3k84 s ARG 439 CO 0.46 -0.62 1.08 -1.54 -1.08 0.00 0.00 175.30 173.61 3k84 s SER 440 N -3.00 4.51 0.35 -2.89 1.04 -1.26 -4.86 113.70 107.58 3k84 s SER 440 Ca 0.21 1.60 0.03 0.00 0.48 0.00 0.00 55.95 58.26 3k84 s SER 440 Cb -0.00 -2.35 0.64 0.00 0.10 0.00 0.00 66.02 64.41 3k84 s SER 440 CO 0.07 -2.00 1.97 0.00 0.98 0.00 0.00 173.24 174.27 3k84 h ALA 441 N -1.10 1.50 -0.62 5.32 0.00 -1.99 -1.53 119.26 120.84 3k84 h ALA 441 Ca -0.46 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.43 3k84 h ALA 441 Cb 1.24 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 3k84 h ALA 441 CO 0.55 0.41 0.32 1.49 0.00 0.00 0.00 179.25 182.03 3k84 h GLU 442 N 0.75 0.58 -0.08 0.00 4.81 -2.00 -0.98 114.58 117.65 3k84 h GLU 442 Ca 0.19 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 3k84 h GLU 442 Cb 0.02 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 3k84 h GLU 442 CO -0.03 0.38 -0.55 0.87 -0.73 0.00 0.00 179.01 178.96 3k84 h LYS 443 N 0.60 0.25 -0.61 1.92 6.56 -1.78 -2.58 116.57 120.93 3k84 h LYS 443 Ca 0.29 -0.15 -0.07 0.00 -1.06 0.00 0.00 60.65 59.65 3k84 h LYS 443 Cb 0.21 0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.87 3k84 h LYS 443 CO -0.20 0.73 0.12 1.25 -2.06 0.00 0.00 179.45 179.29 3k84 h LEU 444 N 0.19 0.96 -0.33 2.94 5.85 -0.87 -0.71 115.31 123.33 3k84 h LEU 444 Ca 0.00 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.50 3k84 h LEU 444 Cb 1.02 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 3k84 h LEU 444 CO 0.09 0.96 0.13 -0.50 -0.34 0.00 0.00 178.44 178.78 3k84 h TRP 445 N 0.91 0.24 -0.42 1.25 4.06 -1.12 0.90 115.95 121.77 3k84 h TRP 445 Ca 0.19 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.19 3k84 h TRP 445 Cb 0.40 -0.06 -0.04 0.00 -1.00 0.00 0.00 29.16 28.46 3k84 h TRP 445 CO 0.03 0.12 0.19 -0.22 -3.56 0.00 0.00 178.44 175.00 3k84 h LYS 446 N 0.29 0.38 -0.45 0.49 3.64 -1.25 -0.77 116.57 118.89 3k84 h LYS 446 Ca 0.14 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3k84 h LYS 446 Cb 0.09 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 3k84 h LYS 446 CO -0.13 0.25 0.25 1.25 -2.27 0.00 0.00 179.45 178.80 3k84 h LEU 447 N 0.39 0.57 -0.87 5.20 5.85 -0.85 -1.52 115.31 124.07 3k84 h LEU 447 Ca 0.18 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3k84 h LEU 447 Cb 0.11 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3k84 h LEU 447 CO -0.14 0.49 0.56 -0.61 -0.34 0.00 0.00 178.44 178.40 3k84 h GLN 448 N 0.59 1.07 -0.41 1.25 5.75 -0.49 0.01 115.11 122.89 3k84 h GLN 448 Ca 0.16 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.51 3k84 h GLN 448 Cb 0.05 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 3k84 h GLN 448 CO -0.03 0.71 -0.11 1.25 -2.65 0.00 0.00 178.83 178.00 3k84 h HIS 449 N 1.10 0.80 -0.66 3.99 2.76 -0.85 -1.91 115.15 120.38 3k84 h HIS 449 Ca 0.34 -0.14 -0.09 0.00 -2.20 0.00 0.00 60.37 58.29 3k84 h HIS 449 Cb -0.01 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 3k84 h HIS 449 CO -0.02 0.80 0.08 0.93 -1.30 0.00 0.00 177.93 178.42 3k84 h GLU 450 N 0.66 1.11 -0.48 5.26 5.08 -0.53 0.68 114.58 126.37 3k84 h GLU 450 Ca 0.11 -0.32 0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3k84 h GLU 450 Cb 0.57 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 3k84 h GLU 450 CO 0.04 1.04 0.27 0.82 -1.00 0.00 0.00 179.01 180.17 3k84 h ILE 451 N 1.03 1.01 0.07 3.13 2.04 -0.83 0.44 117.51 124.41 3k84 h ILE 451 Ca 0.20 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.87 3k84 h ILE 451 Cb 0.48 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3k84 h ILE 451 CO 0.02 0.10 -0.03 -0.08 0.00 0.00 0.00 178.15 178.15 3k84 h GLU 452 N 0.53 -0.09 -0.53 2.37 4.81 -1.08 -1.02 114.58 119.57 3k84 h GLU 452 Ca 0.20 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.38 3k84 h GLU 452 Cb 0.06 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3k84 h GLU 452 CO -0.11 -0.04 0.12 0.52 -0.73 0.00 0.00 179.01 178.77 3k84 h MET 453 N -0.11 0.82 -0.65 1.92 2.86 -0.75 -2.52 114.93 116.50 3k84 h MET 453 Ca -0.01 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.38 3k84 h MET 453 Cb 0.09 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3k84 h MET 453 CO 0.02 0.74 0.07 -0.92 1.06 0.00 0.00 176.91 177.88 3k84 h TYR 454 N 0.79 1.18 -0.47 -0.22 5.03 -0.69 -0.25 116.97 122.35 3k84 h TYR 454 Ca 0.17 -0.18 0.04 0.00 2.58 0.00 0.00 58.73 61.34 3k84 h TYR 454 Cb 0.30 -0.32 -0.04 0.00 1.55 0.00 0.00 36.73 38.22 3k84 h TYR 454 CO 0.02 1.00 0.24 -0.09 -1.32 0.00 0.00 178.16 178.01 3k84 h ARG 455 N 1.02 0.46 -0.20 1.82 2.43 -0.99 -1.98 114.38 116.94 3k84 h ARG 455 Ca 0.19 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 3k84 h ARG 455 Cb 0.49 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3k84 h ARG 455 CO 0.02 0.31 -0.34 1.96 -1.51 0.00 0.00 179.97 180.41 3k84 h GLN 456 N 0.48 0.41 -0.28 0.20 1.08 -1.19 -2.03 115.11 113.79 3k84 h GLN 456 Ca 0.20 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3k84 h GLN 456 Cb 0.10 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 3k84 h GLN 456 CO -0.13 0.70 0.16 1.03 -0.95 0.00 0.00 178.83 179.64 3k84 h SER 457 N 0.35 0.34 0.03 1.46 0.87 -0.68 -0.47 113.55 115.45 3k84 h SER 457 Ca 0.04 -0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 60.38 3k84 h SER 457 Cb 0.77 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 3k84 h SER 457 CO 0.06 0.30 -0.52 0.58 -0.53 0.00 0.00 176.83 176.72 3k84 h VAL 458 N 0.34 1.32 -0.52 2.23 2.07 -1.32 -1.54 116.25 118.83 3k84 h VAL 458 Ca 0.10 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 65.86 3k84 h VAL 458 Cb 0.03 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3k84 h VAL 458 CO -0.02 0.55 0.32 0.40 0.02 0.00 0.00 177.57 178.84 3k84 h ILE 459 N 0.42 1.15 -0.73 4.57 2.04 -1.26 -0.65 117.51 123.04 3k84 h ILE 459 Ca 0.01 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 3k84 h ILE 459 Cb 1.05 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 3k84 h ILE 459 CO 0.10 0.15 0.42 0.00 0.00 0.00 0.00 178.15 178.82 3k84 h ALA 460 N 1.16 0.93 -0.35 1.87 0.00 -0.84 -0.28 119.26 121.75 3k84 h ALA 460 Ca 0.19 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k84 h ALA 460 Cb -0.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3k84 h ALA 460 CO -0.04 0.42 0.21 0.37 0.00 0.00 0.00 179.25 180.22 3k84 h GLN 461 N 1.00 0.48 -0.29 0.00 4.15 -1.00 0.15 115.11 119.60 3k84 h GLN 461 Ca 0.26 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3k84 h GLN 461 Cb -0.00 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3k84 h GLN 461 CO -0.05 0.36 0.19 2.35 -1.93 0.00 0.00 178.83 179.75 3k84 h TRP 462 N 0.46 0.37 -0.35 3.99 2.91 -0.95 -2.53 115.95 119.85 3k84 h TRP 462 Ca 0.13 0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.10 3k84 h TRP 462 Cb 0.00 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 28.51 3k84 h TRP 462 CO -0.04 0.25 -0.01 0.87 -1.03 0.00 0.00 178.44 178.48 3k84 h LYS 463 N 0.39 0.56 0.00 2.65 1.79 -0.87 -1.96 116.57 119.13 3k84 h LYS 463 Ca 0.11 -0.13 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 3k84 h LYS 463 Cb -0.03 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.54 3k84 h LYS 463 CO -0.02 0.59 -0.13 0.00 -1.08 0.00 0.00 179.45 178.81 3k84 h ALA 464 N 1.46 1.30 -0.03 3.86 0.00 -0.54 -1.43 119.26 123.89 3k84 h ALA 464 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k84 h ALA 464 Cb 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3k84 h ALA 464 CO 0.01 0.16 -0.04 -1.33 0.00 0.00 0.00 179.25 178.05 3k84 n MET 465 N -3.68 2.00 -3.71 0.00 2.81 -1.07 -5.00 117.12 108.48 3k84 n MET 465 Ca -0.02 -1.74 -0.22 0.00 -1.81 0.00 0.00 57.70 53.91 3k84 n MET 465 Cb 0.25 -1.42 0.04 0.00 -0.71 0.00 0.00 33.22 31.37 3k84 n MET 465 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3k84 n ASN 466 N 1.12 -1.86 -4.81 7.83 4.05 -0.54 -4.97 115.26 116.09 3k84 n ASN 466 Ca 0.12 -0.79 -0.34 0.00 0.45 0.00 0.00 54.58 54.03 3k84 n ASN 466 Cb 0.54 -4.13 -0.06 0.00 1.23 0.00 0.00 39.78 37.37 3k84 n ASN 466 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3k84 s LEU 467 N -6.76 3.91 -0.22 1.20 1.43 -1.04 -4.81 118.68 112.40 3k84 s LEU 467 Ca 0.11 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 54.89 3k84 s LEU 467 Cb -0.05 -4.53 -0.18 0.00 0.03 0.00 0.00 46.19 41.45 3k84 s LEU 467 CO 0.81 -0.53 -0.00 0.47 0.23 0.00 0.00 176.35 177.33 3k84 n ASP 468 N -0.74 1.97 -3.80 2.29 10.43 -0.16 -4.91 116.55 121.62 3k84 n ASP 468 Ca 0.08 0.24 -0.14 0.00 2.57 0.00 0.00 54.79 57.53 3k84 n ASP 468 Cb 0.53 -0.79 -0.08 0.00 1.84 0.00 0.00 41.12 42.62 3k84 n ASP 468 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3k84 s VAL 469 N -2.48 0.00 -0.03 2.53 -7.23 -1.02 -4.67 120.40 107.50 3k84 s VAL 469 Ca -0.32 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 57.97 3k84 s VAL 469 Cb 0.09 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.56 3k84 s VAL 469 CO 0.60 0.00 -0.03 -0.22 -0.31 0.00 0.00 175.10 175.14 3k84 s LEU 470 N -3.22 1.45 -0.21 1.32 2.96 -0.16 -0.86 118.68 119.96 3k84 s LEU 470 Ca 0.37 -0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 54.15 3k84 s LEU 470 Cb 0.04 -0.34 -0.02 0.00 0.50 0.00 0.00 46.19 46.38 3k84 s LEU 470 CO 0.18 -0.04 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.93 3k84 s LEU 471 N 0.68 3.07 0.24 -0.68 2.96 0.18 -0.36 118.68 124.77 3k84 s LEU 471 Ca -0.08 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 3k84 s LEU 471 Cb -0.11 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 3k84 s LEU 471 CO -0.00 0.02 -0.04 0.42 -1.32 0.00 0.00 176.35 175.43 3k84 s THR 472 N 1.26 1.28 0.75 3.68 -4.23 -0.41 -2.56 115.64 115.40 3k84 s THR 472 Ca 0.03 -2.07 -0.12 0.00 -1.18 0.00 0.00 61.69 58.35 3k84 s THR 472 Cb -0.14 -2.32 0.04 0.00 1.34 0.00 0.00 72.50 71.42 3k84 s THR 472 CO -0.00 -0.37 1.10 -2.84 -0.54 0.00 0.00 174.62 171.97 3k84 s PRO 473 N -3.80 2.35 -0.00 3.99 0.02 -1.25 -1.39 135.00 134.91 3k84 s PRO 473 Ca 0.27 1.27 0.05 0.00 0.02 0.00 0.00 61.00 62.61 3k84 s PRO 473 Cb 0.04 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.65 3k84 s PRO 473 CO 0.09 -1.58 -0.17 1.41 -0.33 0.00 0.00 177.00 176.42 3k84 s MET 474 N -4.63 1.33 0.14 5.54 1.75 -1.25 -4.41 119.30 117.77 3k84 s MET 474 Ca 0.63 -0.64 -0.34 0.00 -1.25 0.00 0.00 55.69 54.10 3k84 s MET 474 Cb -0.19 -1.31 -0.13 0.00 2.84 0.00 0.00 34.83 36.04 3k84 s MET 474 CO 0.52 0.35 1.63 -0.11 -0.65 0.00 0.00 175.02 176.76 3k84 n LEU 475 N 2.55 3.26 0.00 4.11 7.94 -1.26 -4.68 117.00 128.91 3k84 n LEU 475 Ca -0.15 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.82 3k84 n LEU 475 Cb 0.54 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 43.05 3k84 n LEU 475 CO 0.24 -0.20 0.00 0.61 -1.11 0.00 0.00 177.39 176.93 3k84 n GLY 476 N 3.60 1.41 1.18 -3.96 0.00 -1.26 -4.74 105.19 101.42 3k84 n GLY 476 Ca 0.17 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 3k84 n GLY 476 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k84 n PRO 477 N -0.56 -0.49 -1.72 1.61 -0.04 -1.26 -4.45 135.00 128.08 3k84 n PRO 477 Ca 0.00 -0.63 -0.43 0.00 -0.04 0.00 0.00 63.50 62.41 3k84 n PRO 477 Cb 0.00 -0.43 -0.02 0.00 -0.04 0.00 0.00 33.50 33.02 3k84 n PRO 477 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k84 n ALA 478 N -3.29 1.96 -1.91 0.55 0.00 -1.26 -4.92 120.51 111.64 3k84 n ALA 478 Ca -0.07 0.38 -0.31 0.00 0.00 0.00 0.00 53.44 53.44 3k84 n ALA 478 Cb 0.18 -2.38 -0.01 0.00 0.00 0.00 0.00 19.45 17.24 3k84 n ALA 478 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k84 s LEU 479 N -0.56 3.48 0.68 0.00 1.02 -1.26 -4.70 118.68 117.34 3k84 s LEU 479 Ca 0.63 1.43 -0.17 0.00 0.02 0.00 0.00 54.13 56.04 3k84 s LEU 479 Cb -0.55 -4.41 0.00 0.00 0.02 0.00 0.00 46.19 41.26 3k84 s LEU 479 CO 0.52 -0.69 1.21 0.47 0.02 0.00 0.00 176.35 177.88 3k84 n ASP 480 N -2.08 1.57 -4.58 2.29 9.92 0.06 -0.50 116.55 123.23 3k84 n ASP 480 Ca 0.06 0.76 -0.45 0.00 -0.53 0.00 0.00 54.79 54.63 3k84 n ASP 480 Cb 0.54 -1.51 -0.02 0.00 -0.64 0.00 0.00 41.12 39.49 3k84 n ASP 480 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3k84 n LEU 481 N -2.01 1.56 -0.34 0.64 4.77 -0.85 -2.52 117.00 118.25 3k84 n LEU 481 Ca 0.15 1.17 -0.04 0.00 -0.03 0.00 0.00 56.01 57.26 3k84 n LEU 481 Cb 0.49 -1.26 -0.02 0.00 -2.33 0.00 0.00 43.42 40.30 3k84 n LEU 481 CO 0.48 -1.48 -0.04 0.59 -1.33 0.00 0.00 177.39 175.60 3k84 n ASN 482 N 1.41 -4.35 -0.04 -1.43 3.02 -1.26 -4.86 115.26 107.75 3k84 n ASN 482 Ca 0.11 0.11 -0.01 0.00 -0.03 0.00 0.00 54.58 54.76 3k84 n ASN 482 Cb 0.30 -2.25 -0.10 0.00 -0.61 0.00 0.00 39.78 37.13 3k84 n ASN 482 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3k84 n THR 483 N -2.60 0.51 -0.31 3.41 -2.24 -1.05 -4.54 114.28 107.47 3k84 n THR 483 Ca -0.04 -0.44 0.17 0.00 -2.27 0.00 0.00 64.05 61.46 3k84 n THR 483 Cb 0.28 -0.33 0.42 0.00 -2.10 0.00 0.00 70.33 68.60 3k84 n THR 483 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3k84 h PRO 484 N 0.00 0.56 0.00 -0.78 0.11 -1.88 -0.19 132.00 129.83 3k84 h PRO 484 Ca -0.20 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3k84 h PRO 484 Cb 1.30 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3k84 h PRO 484 CO 0.01 0.37 0.00 0.41 -0.21 0.00 0.00 178.00 178.58 3k84 n GLY 485 N -1.42 -0.96 0.34 -0.55 0.00 -1.24 -2.06 105.19 99.31 3k84 n GLY 485 Ca 0.22 0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.38 3k84 n GLY 485 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k84 n ARG 486 N -2.04 1.63 -3.14 1.61 1.74 -0.13 -4.26 116.66 112.06 3k84 n ARG 486 Ca 0.01 -1.43 -0.26 0.00 -0.77 0.00 0.00 57.85 55.40 3k84 n ARG 486 Cb 0.11 -1.15 -0.05 0.00 -1.02 0.00 0.00 32.46 30.35 3k84 n ARG 486 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k84 n ALA 487 N 0.23 3.98 0.02 7.54 0.00 -0.87 -4.38 120.51 127.03 3k84 n ALA 487 Ca 0.06 -4.46 -0.05 0.00 0.00 0.00 0.00 53.44 48.99 3k84 n ALA 487 Cb 0.28 -0.81 0.17 0.00 0.00 0.00 0.00 19.45 19.08 3k84 n ALA 487 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3k84 h THR 488 N 2.71 1.29 -0.00 0.00 2.02 -1.85 -2.93 112.91 114.15 3k84 h THR 488 Ca 0.14 -1.43 0.00 0.00 0.77 0.00 0.00 66.41 65.89 3k84 h THR 488 Cb 0.64 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3k84 h THR 488 CO 0.76 0.45 0.00 1.23 0.37 0.00 0.00 175.52 178.33 3k84 h GLY 489 N 1.08 0.00 1.70 2.16 0.00 -1.91 -2.55 103.07 103.55 3k84 h GLY 489 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3k84 h GLY 489 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.60 3k84 n ALA 490 N -2.42 1.68 1.74 3.60 0.00 -1.11 -1.97 120.51 122.04 3k84 n ALA 490 Ca -0.03 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.45 3k84 n ALA 490 Cb 0.09 -1.20 0.57 0.00 0.00 0.00 0.00 19.45 18.91 3k84 n ALA 490 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3k84 n VAL 491 N -1.35 0.00 -0.23 0.00 0.24 -0.96 -4.26 118.33 111.77 3k84 n VAL 491 Ca 0.05 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.33 3k84 n VAL 491 Cb 0.11 -0.41 0.09 0.00 -1.47 0.00 0.00 33.84 32.17 3k84 n VAL 491 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3k84 h SER 492 N 0.00 0.58 -0.29 -1.34 4.64 -1.64 0.17 113.55 115.66 3k84 h SER 492 Ca 0.00 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3k84 h SER 492 Cb 0.00 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3k84 h SER 492 CO 0.00 0.38 -0.03 1.88 -0.87 0.00 0.00 176.83 178.19 3k84 h TYR 493 N 0.71 0.69 0.03 4.77 0.05 -1.87 -3.10 116.97 118.26 3k84 h TYR 493 Ca 0.29 -0.09 -0.24 0.00 0.05 0.00 0.00 58.73 58.74 3k84 h TYR 493 Cb 0.15 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 3k84 h TYR 493 CO -0.07 0.68 -1.32 1.79 -1.05 0.00 0.00 178.16 178.19 3k84 h THR 494 N 0.61 0.93 -0.09 -2.88 1.35 -1.78 -3.40 112.91 107.65 3k84 h THR 494 Ca 0.12 -2.23 -0.00 0.00 -0.55 0.00 0.00 66.41 63.75 3k84 h THR 494 Cb 0.43 2.37 -0.00 0.00 -1.73 0.00 0.00 68.15 69.22 3k84 h THR 494 CO 0.02 0.45 0.04 -0.03 -0.25 0.00 0.00 175.52 175.75 3k84 h MET 495 N -0.77 0.12 -0.91 4.72 1.85 -0.71 -1.60 114.93 117.62 3k84 h MET 495 Ca -0.34 -0.01 0.20 0.00 -0.61 0.00 0.00 59.70 58.94 3k84 h MET 495 Cb 1.44 -0.03 -0.11 0.00 0.43 0.00 0.00 31.60 33.33 3k84 h MET 495 CO -0.13 0.09 0.47 1.25 -0.40 0.00 0.00 176.91 178.19 3k84 h LEU 496 N 0.12 0.51 0.00 3.39 5.85 -1.75 0.03 115.31 123.46 3k84 h LEU 496 Ca 0.03 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3k84 h LEU 496 Cb 0.02 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3k84 h LEU 496 CO -0.00 0.12 -0.59 -1.22 -0.34 0.00 0.00 178.44 176.41 3k84 n TYR 497 N -4.93 0.37 -0.03 1.25 4.01 -0.60 -1.09 117.16 116.13 3k84 n TYR 497 Ca 0.21 0.11 -0.14 0.00 -0.16 0.00 0.00 57.90 57.92 3k84 n TYR 497 Cb 0.59 -0.53 -0.10 0.00 -0.31 0.00 0.00 39.34 38.99 3k84 n TYR 497 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3k84 h ASN 498 N 0.00 0.20 -0.22 7.72 4.21 -1.40 0.08 115.58 126.18 3k84 h ASN 498 Ca 0.00 -0.62 0.05 0.00 1.21 0.00 0.00 56.30 56.94 3k84 h ASN 498 Cb 0.67 -0.06 -0.05 0.00 -1.12 0.00 0.00 38.32 37.76 3k84 h ASN 498 CO 0.00 0.79 -0.10 0.00 -1.29 0.00 0.00 177.43 176.83 3k84 h LEU 500 N -0.06 0.00 -2.45 0.00 3.38 -1.22 -3.48 115.31 111.47 3k84 h LEU 500 Ca 0.12 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.68 3k84 h LEU 500 Cb 0.24 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.07 3k84 h LEU 500 CO -0.27 0.00 -0.88 -0.67 0.09 0.00 0.00 178.44 176.71 3k84 n ASP 501 N -2.85 -3.58 -4.79 -0.43 4.64 -0.09 -4.93 116.55 104.52 3k84 n ASP 501 Ca 0.03 -0.89 -0.32 0.00 -1.38 0.00 0.00 54.79 52.22 3k84 n ASP 501 Cb 0.40 -3.90 -0.07 0.00 -1.04 0.00 0.00 41.12 36.51 3k84 n ASP 501 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3k84 s PHE 502 N -3.57 3.27 0.24 -0.67 2.99 -0.57 -4.47 117.98 115.20 3k84 s PHE 502 Ca 0.26 0.17 -0.30 0.00 0.00 0.00 0.00 56.93 57.06 3k84 s PHE 502 Cb -0.08 -1.70 -0.10 0.00 0.00 0.00 0.00 43.02 41.14 3k84 s PHE 502 CO 0.83 0.54 1.50 -1.25 -0.00 0.00 0.00 175.22 176.84 3k84 s PRO 503 N -1.98 4.23 -0.02 0.24 0.04 -1.24 -4.62 135.00 131.65 3k84 s PRO 503 Ca 0.26 2.37 -0.00 0.00 0.04 0.00 0.00 61.00 63.66 3k84 s PRO 503 Cb -0.12 -3.10 0.02 0.00 0.04 0.00 0.00 34.50 31.34 3k84 s PRO 503 CO 0.17 -0.50 0.03 0.00 0.04 0.00 0.00 177.00 176.74 3k84 s ALA 504 N 0.24 0.02 0.24 8.56 0.00 -0.36 -2.40 121.76 128.06 3k84 s ALA 504 Ca 0.62 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.84 3k84 s ALA 504 Cb -0.44 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 3k84 s ALA 504 CO 0.42 -0.08 0.11 0.20 0.00 0.00 0.00 175.76 176.40 3k84 s GLY 505 N 0.75 1.63 0.04 0.00 0.00 -0.43 -0.39 107.32 108.93 3k84 s GLY 505 Ca -0.06 -1.81 0.05 0.00 0.00 0.00 0.00 44.72 42.89 3k84 s GLY 505 CO -0.02 -1.53 -0.13 -1.34 0.00 0.00 0.00 173.10 170.07 3k84 s VAL 506 N -3.89 1.06 -0.05 1.40 -7.23 0.22 -0.55 120.40 111.35 3k84 s VAL 506 Ca 0.38 -0.98 0.02 0.00 -1.81 0.00 0.00 61.98 59.59 3k84 s VAL 506 Cb 0.08 -0.96 0.01 0.00 0.56 0.00 0.00 36.38 36.07 3k84 s VAL 506 CO 0.13 -0.01 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.13 3k84 s VAL 507 N -0.85 0.83 0.13 1.32 1.01 -0.88 -2.54 120.40 119.42 3k84 s VAL 507 Ca 0.01 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.37 3k84 s VAL 507 Cb -0.08 -0.78 -0.07 0.00 0.00 0.00 0.00 36.38 35.45 3k84 s VAL 507 CO 0.01 0.28 1.20 -2.84 0.00 0.00 0.00 175.10 173.75 3k84 s PRO 508 N 0.65 4.47 0.00 2.72 0.02 -1.26 -1.91 135.00 139.68 3k84 s PRO 508 Ca -0.11 1.83 0.00 0.00 0.02 0.00 0.00 61.00 62.74 3k84 s PRO 508 Cb -0.14 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.10 3k84 s PRO 508 CO 0.02 -0.15 0.00 1.33 -0.33 0.00 0.00 177.00 177.86 3k84 n VAL 509 N 3.10 0.00 -3.84 3.83 0.24 -0.57 -4.83 118.33 116.26 3k84 n VAL 509 Ca 0.06 -0.06 -0.06 0.00 -2.04 0.00 0.00 64.34 62.24 3k84 n VAL 509 Cb 0.45 0.54 0.03 0.00 -1.47 0.00 0.00 33.84 33.39 3k84 n VAL 509 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3k84 n THR 510 N -1.35 0.00 -4.25 3.34 5.66 -1.08 -4.78 114.28 111.81 3k84 n THR 510 Ca 0.00 -0.77 -0.18 0.00 -3.05 0.00 0.00 64.05 60.05 3k84 n THR 510 Cb 0.00 0.87 -0.11 0.00 -1.55 0.00 0.00 70.33 69.54 3k84 n THR 510 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3k84 s THR 511 N -2.09 1.39 0.10 1.09 -4.23 -1.26 -0.98 115.64 109.66 3k84 s THR 511 Ca 0.19 -1.76 -0.31 0.00 -1.18 0.00 0.00 61.69 58.63 3k84 s THR 511 Cb -0.04 -1.59 -0.09 0.00 1.34 0.00 0.00 72.50 72.13 3k84 s THR 511 CO 0.09 -0.42 1.56 -0.69 -0.54 0.00 0.00 174.62 174.62 3k84 s VAL 512 N -2.18 3.01 0.48 2.29 1.01 -0.02 -4.85 120.40 120.15 3k84 s VAL 512 Ca 0.10 0.61 0.01 0.00 0.00 0.00 0.00 61.98 62.70 3k84 s VAL 512 Cb -0.05 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.95 3k84 s VAL 512 CO 0.03 0.02 0.69 0.42 0.00 0.00 0.00 175.10 176.27 3k84 s THR 513 N 1.87 3.48 0.31 3.92 -4.23 -1.26 -0.66 115.64 119.06 3k84 s THR 513 Ca 0.70 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 60.67 3k84 s THR 513 Cb -0.40 -3.28 0.30 0.00 1.34 0.00 0.00 72.50 70.46 3k84 s THR 513 CO 0.31 -0.19 1.78 0.00 -0.54 0.00 0.00 174.62 175.98 3k84 h ALA 514 N 0.31 1.68 -0.15 3.99 0.00 -1.98 -1.83 119.26 121.28 3k84 h ALA 514 Ca -0.44 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3k84 h ALA 514 Cb 1.27 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3k84 h ALA 514 CO 0.55 -0.05 -0.15 1.49 0.00 0.00 0.00 179.25 181.09 3k84 h GLU 515 N 0.77 0.37 -0.67 0.00 4.81 -1.99 -1.24 114.58 116.64 3k84 h GLU 515 Ca 0.57 -0.20 0.13 0.00 -0.13 0.00 0.00 59.36 59.74 3k84 h GLU 515 Cb 0.89 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.18 3k84 h GLU 515 CO -0.37 0.75 0.17 -0.44 -0.73 0.00 0.00 179.01 178.40 3k84 h ASP 516 N 0.00 0.06 -0.30 1.04 3.45 -1.86 -0.68 116.42 118.13 3k84 h ASP 516 Ca 0.02 0.12 -0.15 0.00 0.43 0.00 0.00 57.03 57.46 3k84 h ASP 516 Cb 0.69 0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.61 3k84 h ASP 516 CO 0.04 0.02 -0.39 -0.78 -1.57 0.00 0.00 179.24 176.55 3k84 h ASP 517 N 0.30 0.86 -0.51 6.45 3.58 -1.22 -2.47 116.42 123.40 3k84 h ASP 517 Ca 0.36 -0.50 -0.06 0.00 0.42 0.00 0.00 57.03 57.26 3k84 h ASP 517 Cb 0.56 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 3k84 h ASP 517 CO -0.43 1.19 0.10 0.00 -2.88 0.00 0.00 179.24 177.21 3k84 h ALA 518 N 0.70 0.68 -0.10 -0.78 0.00 -1.03 -2.94 119.26 115.78 3k84 h ALA 518 Ca 0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3k84 h ALA 518 Cb 0.98 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3k84 h ALA 518 CO 0.09 0.40 -0.01 1.96 0.00 0.00 0.00 179.25 181.69 3k84 h GLN 519 N 0.72 0.14 -0.10 0.00 4.20 -1.07 -1.86 115.11 117.14 3k84 h GLN 519 Ca 0.16 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.88 3k84 h GLN 519 Cb 0.38 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 3k84 h GLN 519 CO 0.01 0.17 0.11 1.98 -0.67 0.00 0.00 178.83 180.42 3k84 h MET 520 N 0.14 0.00 -0.04 1.46 4.05 -1.25 -1.40 114.93 117.90 3k84 h MET 520 Ca 0.04 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.47 3k84 h MET 520 Cb 0.12 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.92 3k84 h MET 520 CO 0.00 0.00 0.12 0.93 0.23 0.00 0.00 176.91 178.20 3k84 h GLU 521 N 0.00 0.00 -0.42 0.39 3.07 -1.42 -1.74 114.58 114.47 3k84 h GLU 521 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3k84 h GLU 521 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3k84 h GLU 521 CO -0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 3k84 n LEU 522 N -3.24 3.20 -4.70 1.33 4.77 -0.53 -4.99 117.00 112.83 3k84 n LEU 522 Ca -0.02 -1.76 -0.42 0.00 -0.03 0.00 0.00 56.01 53.78 3k84 n LEU 522 Cb 0.20 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3k84 n LEU 522 CO 0.20 0.76 1.19 -0.47 -1.33 0.00 0.00 177.39 177.74 3k84 s TYR 523 N -1.10 2.87 -0.12 -1.77 6.14 -0.66 -4.93 117.35 117.78 3k84 s TYR 523 Ca 0.32 0.66 0.00 0.00 0.64 0.00 0.00 57.07 58.70 3k84 s TYR 523 Cb 0.18 -3.82 -0.08 0.00 0.42 0.00 0.00 41.96 38.67 3k84 s TYR 523 CO 0.24 -3.07 -0.11 1.63 0.64 0.00 0.00 175.55 174.88 3k84 n LYS 524 N 4.77 0.30 0.00 4.97 4.01 -1.26 -4.94 118.16 126.00 3k84 n LYS 524 Ca 0.14 0.07 0.00 0.00 -0.51 0.00 0.00 58.31 58.01 3k84 n LYS 524 Cb 0.41 -1.22 0.00 0.00 -0.51 0.00 0.00 35.03 33.71 3k84 n LYS 524 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3k84 n GLY 525 N 2.88 -1.72 0.10 0.72 0.00 -1.26 -4.29 105.19 101.63 3k84 n GLY 525 Ca -0.21 -1.54 0.13 0.00 0.00 0.00 0.00 46.02 44.40 3k84 n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3k84 h TYR 526 N 0.00 0.00 0.00 1.61 0.05 -1.95 -3.38 116.97 113.31 3k84 h TYR 526 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 3k84 h TYR 526 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3k84 h TYR 526 CO 0.00 0.00 -1.25 1.19 -1.05 0.00 0.00 178.16 177.05 3k84 n PHE 527 N -2.26 0.00 -1.78 4.88 3.01 -1.26 -5.03 117.46 115.01 3k84 n PHE 527 Ca 0.05 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.37 3k84 n PHE 527 Cb 0.44 -0.18 -0.04 0.00 -0.01 0.00 0.00 39.48 39.69 3k84 n PHE 527 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k84 n GLY 528 N 2.90 0.71 4.00 1.37 0.00 -1.26 -5.01 105.19 107.90 3k84 n GLY 528 Ca -0.06 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 3k84 n GLY 528 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3k84 s ASP 529 N -2.64 4.92 0.46 1.61 3.84 -1.26 -4.85 116.67 118.73 3k84 s ASP 529 Ca 0.00 -0.47 0.23 0.00 -0.00 0.00 0.00 52.55 52.31 3k84 s ASP 529 Cb 0.00 -0.14 1.23 0.00 -1.38 0.00 0.00 42.92 42.63 3k84 s ASP 529 CO 0.00 -1.43 1.84 0.16 -0.00 0.00 0.00 175.17 175.74 3k84 h ILE 530 N -0.05 0.59 -0.46 2.11 3.07 -1.95 -1.69 117.51 119.12 3k84 h ILE 530 Ca -0.36 -0.09 -0.12 0.00 1.55 0.00 0.00 64.86 65.85 3k84 h ILE 530 Cb 1.28 0.30 -0.01 0.00 -0.27 0.00 0.00 36.82 38.12 3k84 h ILE 530 CO 0.43 0.05 -0.17 -0.50 -1.05 0.00 0.00 178.15 176.90 3k84 h TRP 531 N 0.26 1.07 -0.18 0.16 6.55 -1.95 -1.77 115.95 120.09 3k84 h TRP 531 Ca 0.50 -0.25 -0.02 0.00 0.95 0.00 0.00 58.89 60.07 3k84 h TRP 531 Cb 1.48 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 29.52 3k84 h TRP 531 CO -0.00 1.05 0.04 -0.44 -1.05 0.00 0.00 178.44 178.04 3k84 h ASP 532 N 0.78 0.27 -0.46 -3.49 3.45 -1.68 -2.91 116.42 112.38 3k84 h ASP 532 Ca 0.11 -0.23 0.04 0.00 0.43 0.00 0.00 57.03 57.38 3k84 h ASP 532 Cb 0.74 -0.07 -0.04 0.00 -0.56 0.00 0.00 39.33 39.40 3k84 h ASP 532 CO 0.06 0.43 0.23 0.40 -1.57 0.00 0.00 179.24 178.78 3k84 h ILE 533 N 0.09 0.96 -0.53 0.35 2.04 -1.36 -2.82 117.51 116.25 3k84 h ILE 533 Ca 0.06 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 3k84 h ILE 533 Cb 0.26 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3k84 h ILE 533 CO 0.00 0.08 0.18 0.40 0.00 0.00 0.00 178.15 178.81 3k84 h ILE 534 N 0.45 1.23 -0.80 -0.67 1.08 -1.38 -3.24 117.51 114.18 3k84 h ILE 534 Ca 0.20 -0.75 0.05 0.00 -0.39 0.00 0.00 64.86 63.96 3k84 h ILE 534 Cb 0.11 0.72 -0.05 0.00 -3.07 0.00 0.00 36.82 34.52 3k84 h ILE 534 CO -0.14 0.28 0.49 0.25 -0.69 0.00 0.00 178.15 178.35 3k84 h LEU 535 N 0.73 0.79 -0.36 1.44 5.85 -1.29 0.29 115.31 122.76 3k84 h LEU 535 Ca 0.17 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.96 3k84 h LEU 535 Cb 0.25 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 3k84 h LEU 535 CO -0.01 0.52 0.05 0.50 -0.34 0.00 0.00 178.44 179.17 3k84 h LYS 536 N 0.93 0.16 -0.27 1.25 3.64 -1.55 -1.26 116.57 119.48 3k84 h LYS 536 Ca 0.34 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.54 3k84 h LYS 536 Cb 0.10 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3k84 h LYS 536 CO -0.15 0.11 -0.47 0.87 -2.27 0.00 0.00 179.45 177.54 3k84 h LYS 537 N 0.17 0.78 0.00 1.90 1.57 -1.39 -3.21 116.57 116.39 3k84 h LYS 537 Ca 0.17 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 3k84 h LYS 537 Cb 0.21 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3k84 h LYS 537 CO -0.24 1.12 -0.07 0.00 -0.57 0.00 0.00 179.45 179.68 3k84 h ALA 538 N 0.66 1.49 -0.28 3.86 0.00 -0.16 -2.26 119.26 122.57 3k84 h ALA 538 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3k84 h ALA 538 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3k84 h ALA 538 CO 0.11 0.09 0.00 -1.33 0.00 0.00 0.00 179.25 178.11 3k84 n MET 539 N -3.88 2.21 -1.51 0.00 2.81 -0.50 -0.76 117.12 115.49 3k84 n MET 539 Ca -0.02 -1.81 -0.34 0.00 -1.81 0.00 0.00 57.70 53.71 3k84 n MET 539 Cb 0.16 -1.47 0.08 0.00 -0.71 0.00 0.00 33.22 31.29 3k84 n MET 539 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3k84 s LYS 540 N -1.65 2.30 -1.11 0.03 2.20 -0.85 -4.03 119.74 116.64 3k84 s LYS 540 Ca 0.36 1.65 -0.07 0.00 -0.36 0.00 0.00 55.97 57.55 3k84 s LYS 540 Cb 0.21 -1.86 -0.04 0.00 -1.51 0.00 0.00 37.83 34.62 3k84 s LYS 540 CO 0.30 -1.69 0.90 -1.71 -0.36 0.00 0.00 175.35 172.78 3k84 n ASN 541 N -2.67 -5.31 0.00 1.43 5.15 -1.26 -4.95 115.26 107.65 3k84 n ASN 541 Ca 0.12 -0.75 0.00 0.00 -0.60 0.00 0.00 54.58 53.35 3k84 n ASN 541 Cb 0.51 -4.84 0.00 0.00 -0.53 0.00 0.00 39.78 34.92 3k84 n ASN 541 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k84 n SER 542 N -3.12 1.73 -4.68 1.20 7.64 -1.26 -5.05 113.62 110.09 3k84 n SER 542 Ca -0.13 -1.74 -0.45 0.00 1.01 0.00 0.00 58.87 57.56 3k84 n SER 542 Cb 0.63 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.80 3k84 n SER 542 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3k84 n VAL 543 N -0.37 0.76 -0.11 0.44 0.31 -1.26 -1.76 118.33 116.33 3k84 n VAL 543 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3k84 n VAL 543 Cb 0.19 -1.55 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 3k84 n VAL 543 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k84 n GLY 544 N 2.43 1.38 3.81 2.92 0.00 0.16 -4.94 105.19 110.94 3k84 n GLY 544 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3k84 n GLY 544 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k84 s LEU 545 N 0.00 4.36 0.45 0.99 1.43 -0.72 -4.64 118.68 120.54 3k84 s LEU 545 Ca 0.00 1.50 -0.23 0.00 -1.03 0.00 0.00 54.13 54.36 3k84 s LEU 545 Cb 0.00 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.52 3k84 s LEU 545 CO 0.00 0.03 1.17 -2.16 0.23 0.00 0.00 176.35 175.62 3k84 s PRO 546 N -1.92 3.83 -0.03 1.29 0.04 -1.26 -0.84 135.00 136.11 3k84 s PRO 546 Ca 0.43 1.80 0.02 0.00 0.04 0.00 0.00 61.00 63.29 3k84 s PRO 546 Cb -0.17 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 31.90 3k84 s PRO 546 CO 0.22 -0.50 -0.08 0.08 0.04 0.00 0.00 177.00 176.76 3k84 s VAL 547 N -1.51 0.73 0.46 -0.36 1.01 -0.15 -4.57 120.40 116.01 3k84 s VAL 547 Ca 0.62 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 62.36 3k84 s VAL 547 Cb -0.29 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 3k84 s VAL 547 CO 0.36 0.24 0.32 0.00 0.00 0.00 0.00 175.10 176.02 3k84 s ALA 548 N 0.37 4.05 0.22 5.51 0.00 -1.26 -1.52 121.76 129.13 3k84 s ALA 548 Ca -0.06 -1.72 0.09 0.00 0.00 0.00 0.00 51.96 50.28 3k84 s ALA 548 Cb -0.10 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 3k84 s ALA 548 CO 0.01 -0.28 -0.17 0.14 0.00 0.00 0.00 175.76 175.45 3k84 s VAL 549 N -2.62 1.99 -0.11 0.00 -7.23 -0.80 -3.95 120.40 107.67 3k84 s VAL 549 Ca 0.41 -2.22 -0.03 0.00 -1.81 0.00 0.00 61.98 58.33 3k84 s VAL 549 Cb -0.01 -2.09 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 3k84 s VAL 549 CO 0.24 -0.48 0.00 -1.58 -0.31 0.00 0.00 175.10 172.97 3k84 s GLN 550 N -3.44 3.28 -0.11 4.82 0.74 -0.49 -2.07 119.66 122.40 3k84 s GLN 550 Ca 0.24 -0.42 0.02 0.00 0.05 0.00 0.00 55.36 55.24 3k84 s GLN 550 Cb -0.03 -2.88 -0.01 0.00 1.10 0.00 0.00 33.01 31.19 3k84 s GLN 550 CO 0.09 0.54 -0.18 0.00 -0.55 0.00 0.00 175.29 175.20 3k84 s VAL 552 N 0.18 1.19 0.32 0.00 1.01 0.52 -1.31 120.40 122.31 3k84 s VAL 552 Ca -0.10 -1.11 0.05 0.00 0.00 0.00 0.00 61.98 60.82 3k84 s VAL 552 Cb -0.16 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3k84 s VAL 552 CO 0.06 -0.03 0.23 0.00 0.00 0.00 0.00 175.10 175.36 3k84 s ALA 553 N -0.95 1.92 0.80 5.51 0.00 -1.01 -0.98 121.76 127.05 3k84 s ALA 553 Ca 0.02 -1.88 -0.11 0.00 0.00 0.00 0.00 51.96 49.98 3k84 s ALA 553 Cb -0.08 1.34 0.07 0.00 0.00 0.00 0.00 23.12 24.45 3k84 s ALA 553 CO 0.02 -0.60 1.09 -0.51 0.00 0.00 0.00 175.76 175.76 3k84 s LEU 554 N -3.38 2.63 0.29 0.00 1.43 -1.26 -3.63 118.68 114.76 3k84 s LEU 554 Ca 0.38 1.38 -0.28 0.00 -1.03 0.00 0.00 54.13 54.57 3k84 s LEU 554 Cb 0.03 -4.00 -0.14 0.00 0.03 0.00 0.00 46.19 42.12 3k84 s LEU 554 CO 0.23 -2.00 1.03 -2.65 0.23 0.00 0.00 176.35 173.19 3k84 n PRO 555 N -3.46 1.39 -0.90 1.29 -0.02 -1.26 -1.55 135.00 130.49 3k84 n PRO 555 Ca 0.07 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3k84 n PRO 555 Cb 0.56 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3k84 n PRO 555 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3k84 n TRP 556 N 0.27 0.00 -1.52 6.00 7.02 -1.26 -4.90 117.44 123.04 3k84 n TRP 556 Ca 0.09 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.22 3k84 n TRP 556 Cb 0.32 -1.04 0.05 0.00 -2.42 0.00 0.00 31.31 28.23 3k84 n TRP 556 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3k84 n GLN 557 N -1.18 2.63 -0.37 -0.99 6.02 -0.60 -4.69 117.38 118.20 3k84 n GLN 557 Ca 0.00 -3.20 -0.01 0.00 -0.01 0.00 0.00 57.00 53.79 3k84 n GLN 557 Cb 0.18 -2.23 0.13 0.00 1.02 0.00 0.00 30.24 29.34 3k84 n GLN 557 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3k84 h GLU 558 N 2.38 1.26 -0.52 -1.09 3.07 -1.91 -0.99 114.58 116.78 3k84 h GLU 558 Ca 0.56 -0.08 -0.08 0.00 -0.50 0.00 0.00 59.36 59.26 3k84 h GLU 558 Cb 0.53 -0.28 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 3k84 h GLU 558 CO 1.44 0.83 0.01 0.93 -1.40 0.00 0.00 179.01 180.82 3k84 h GLU 559 N 1.30 0.92 -0.23 2.33 3.07 -1.91 0.81 114.58 120.86 3k84 h GLU 559 Ca 0.39 -0.29 -0.09 0.00 -0.50 0.00 0.00 59.36 58.87 3k84 h GLU 559 Cb -0.06 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.76 3k84 h GLU 559 CO -0.11 0.93 -0.20 1.25 -1.40 0.00 0.00 179.01 179.49 3k84 h LEU 560 N 0.79 0.56 -0.45 1.33 5.85 -1.78 0.49 115.31 122.11 3k84 h LEU 560 Ca 0.15 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 58.48 3k84 h LEU 560 Cb 0.51 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 3k84 h LEU 560 CO 0.03 0.91 0.10 0.00 -0.34 0.00 0.00 178.44 179.13 3k84 h LEU 562 N 0.23 0.89 -0.97 0.00 3.38 -0.78 -0.56 115.31 117.52 3k84 h LEU 562 Ca 0.22 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.06 3k84 h LEU 562 Cb 0.27 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 3k84 h LEU 562 CO -0.28 0.90 0.62 -0.09 0.09 0.00 0.00 178.44 179.67 3k84 h ARG 563 N 0.89 1.07 -0.07 1.13 1.12 -0.23 -0.44 114.38 117.85 3k84 h ARG 563 Ca 0.18 -0.06 -0.05 0.00 -1.11 0.00 0.00 59.98 58.93 3k84 h ARG 563 Cb 0.39 -0.24 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 3k84 h ARG 563 CO 0.01 0.71 -0.16 0.35 -3.11 0.00 0.00 179.97 177.76 3k84 h PHE 564 N 1.11 0.30 -0.94 2.20 -0.00 -0.72 -2.58 116.94 116.31 3k84 h PHE 564 Ca 0.42 -0.11 0.15 0.00 -0.00 0.00 0.00 57.97 58.43 3k84 h PHE 564 Cb 0.20 -0.05 -0.09 0.00 -0.00 0.00 0.00 35.95 36.00 3k84 h PHE 564 CO -0.01 0.77 0.55 0.52 -0.00 0.00 0.00 178.31 180.14 3k84 h MET 565 N -0.26 0.76 -0.58 1.11 2.86 -0.95 -1.45 114.93 116.41 3k84 h MET 565 Ca -0.00 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3k84 h MET 565 Cb 0.76 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 3k84 h MET 565 CO 0.04 0.50 0.37 -0.09 1.06 0.00 0.00 176.91 178.79 3k84 h ARG 566 N 0.79 0.73 -0.08 1.72 2.43 -1.01 -0.84 114.38 118.12 3k84 h ARG 566 Ca 0.51 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 3k84 h ARG 566 Cb 0.67 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3k84 h ARG 566 CO -0.33 0.48 0.04 1.49 -1.51 0.00 0.00 179.97 180.14 3k84 h GLU 567 N 0.75 0.08 -0.79 0.20 4.57 -0.92 -0.30 114.58 118.17 3k84 h GLU 567 Ca 0.22 -0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.48 3k84 h GLU 567 Cb -0.04 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.46 3k84 h GLU 567 CO -0.07 0.05 0.45 0.28 -1.18 0.00 0.00 179.01 178.54 3k84 h VAL 568 N 0.08 0.93 -0.62 0.32 2.07 -1.15 -1.86 116.25 116.02 3k84 h VAL 568 Ca 0.03 -0.27 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 3k84 h VAL 568 Cb 0.01 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 3k84 h VAL 568 CO -0.03 0.14 0.02 -0.08 0.02 0.00 0.00 177.57 177.65 3k84 h GLU 569 N 0.78 1.09 -0.57 1.57 4.81 -0.79 -1.15 114.58 120.31 3k84 h GLU 569 Ca 0.37 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3k84 h GLU 569 Cb 0.30 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 3k84 h GLU 569 CO -0.23 1.05 0.14 1.96 -0.73 0.00 0.00 179.01 181.21 3k84 h GLN 570 N 0.99 0.88 0.07 1.92 4.20 -0.64 -2.30 115.11 120.24 3k84 h GLN 570 Ca 0.18 -0.18 -0.28 0.00 0.06 0.00 0.00 58.65 58.43 3k84 h GLN 570 Cb 0.54 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 3k84 h GLN 570 CO 0.03 0.78 -1.44 -0.07 -0.67 0.00 0.00 178.83 177.46 3k84 h LEU 571 N 0.85 0.24 0.00 1.46 3.38 -1.06 -3.27 115.31 116.90 3k84 h LEU 571 Ca 0.19 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3k84 h LEU 571 Cb 0.30 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3k84 h LEU 571 CO -0.00 1.27 -1.30 0.23 0.09 0.00 0.00 178.44 178.73 3k84 n MET 572 N -3.36 0.87 -3.07 1.13 2.81 -0.46 -4.55 117.12 110.49 3k84 n MET 572 Ca -0.13 -0.08 -0.20 0.00 -1.81 0.00 0.00 57.70 55.49 3k84 n MET 572 Cb 1.02 -1.38 -0.04 0.00 -0.71 0.00 0.00 33.22 32.11 3k84 n MET 572 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3k84 n THR 573 N -1.75 -0.51 1.52 2.03 -2.24 -0.86 -4.81 114.28 107.65 3k84 n THR 573 Ca 0.00 -3.34 0.12 0.00 -2.27 0.00 0.00 64.05 58.56 3k84 n THR 573 Cb 0.37 -1.04 0.72 0.00 -2.10 0.00 0.00 70.33 68.28 3k84 n THR 573 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69