#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k84 n ARG 34 N 0.00 0.90 -0.30 1.61 5.12 -1.26 -4.78 116.66 117.94 3k84 n ARG 34 Ca 0.00 -2.11 -0.03 0.00 -1.93 0.00 0.00 57.85 53.77 3k84 n ARG 34 Cb 0.00 -1.20 0.09 0.00 -1.16 0.00 0.00 32.46 30.19 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 0.01 1.07 -0.13 5.56 4.15 -2.00 -0.90 115.11 122.88 3k84 h GLN 35 Ca -0.00 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 3k84 h GLN 35 Cb 1.12 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.57 3k84 h GLN 35 CO 0.00 0.71 0.02 -0.22 -1.93 0.00 0.00 178.83 177.41 3k84 h LYS 36 N 1.10 0.22 -0.84 1.69 3.64 -1.90 -2.14 116.57 118.35 3k84 h LYS 36 Ca 0.31 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3k84 h LYS 36 Cb -0.09 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 3k84 h LYS 36 CO -0.08 0.42 0.51 0.00 -2.27 0.00 0.00 179.45 178.03 3k84 h ALA 37 N 0.80 1.06 -0.49 5.00 0.00 -1.70 -1.76 119.26 122.17 3k84 h ALA 37 Ca 0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 3k84 h ALA 37 Cb 0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3k84 h ALA 37 CO 0.00 0.52 0.11 0.00 0.00 0.00 0.00 179.25 179.88 3k84 h ARG 38 N 1.14 0.79 -0.51 0.00 3.08 -1.13 -1.87 114.38 115.88 3k84 h ARG 38 Ca 0.30 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3k84 h ARG 38 Cb -0.06 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3k84 h ARG 38 CO -0.06 0.77 0.30 0.78 -1.07 0.00 0.00 179.97 180.69 3k84 h GLY 39 N 0.67 0.74 0.91 0.04 0.00 -1.18 0.03 103.07 104.27 3k84 h GLY 39 Ca 0.15 -0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.19 3k84 h GLY 39 CO 0.00 0.30 0.27 0.00 0.00 0.00 0.00 176.54 177.11 3k84 h ALA 40 N 1.14 0.57 -0.55 3.60 0.00 -1.25 -0.95 119.26 121.82 3k84 h ALA 40 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3k84 h ALA 40 Cb 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3k84 h ALA 40 CO -0.03 -0.04 0.35 0.00 0.00 0.00 0.00 179.25 179.52 3k84 h ALA 41 N 1.19 0.70 -0.37 0.00 0.00 -1.04 0.91 119.26 120.65 3k84 h ALA 41 Ca 0.18 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3k84 h ALA 41 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3k84 h ALA 41 CO -0.08 0.15 0.22 1.15 0.00 0.00 0.00 179.25 180.69 3k84 h THR 42 N 0.74 1.13 -0.09 0.00 2.02 -0.64 -1.93 112.91 114.14 3k84 h THR 42 Ca 0.20 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 3k84 h THR 42 Cb -0.05 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3k84 h THR 42 CO -0.04 0.14 -0.02 0.03 0.37 0.00 0.00 175.52 175.99 3k84 h ARG 43 N 0.48 0.18 -0.59 6.66 3.08 -0.98 -2.74 114.38 120.47 3k84 h ARG 43 Ca 0.13 -0.07 0.12 0.00 0.07 0.00 0.00 59.98 60.23 3k84 h ARG 43 Cb 0.03 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 29.97 3k84 h ARG 43 CO -0.02 0.50 0.02 0.00 -1.07 0.00 0.00 179.97 179.40 3k84 h ALA 44 N 0.67 0.60 -0.37 0.04 0.00 -0.76 -1.85 119.26 117.59 3k84 h ALA 44 Ca 0.02 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3k84 h ALA 44 Cb 0.43 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3k84 h ALA 44 CO 0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 179.25 178.83 3k84 h ARG 45 N 0.14 0.61 -0.47 0.00 3.08 -1.33 -1.11 114.38 115.30 3k84 h ARG 45 Ca 0.31 -0.16 -0.14 0.00 0.07 0.00 0.00 59.98 60.06 3k84 h ARG 45 Cb 0.49 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3k84 h ARG 45 CO -0.49 0.67 -0.24 0.37 -1.07 0.00 0.00 179.97 179.21 3k84 h GLN 46 N 0.57 0.99 -0.54 0.04 5.75 -1.12 -0.03 115.11 120.77 3k84 h GLN 46 Ca 0.11 -0.43 -0.03 0.00 -0.15 0.00 0.00 58.65 58.15 3k84 h GLN 46 Cb 0.44 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 3k84 h GLN 46 CO 0.02 1.11 0.23 0.87 -2.65 0.00 0.00 178.83 178.40 3k84 h LYS 47 N 0.84 0.81 -0.05 1.69 1.57 -1.01 0.11 116.57 120.53 3k84 h LYS 47 Ca 0.10 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3k84 h LYS 47 Cb 0.82 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 3k84 h LYS 47 CO 0.07 0.70 0.02 0.37 -0.57 0.00 0.00 179.45 180.04 3k84 h GLN 48 N 0.74 0.07 -0.44 3.15 4.15 -1.17 -0.60 115.11 121.01 3k84 h GLN 48 Ca 0.18 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.68 3k84 h GLN 48 Cb 0.18 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.79 3k84 h GLN 48 CO -0.02 0.14 -0.03 -0.09 -1.93 0.00 0.00 178.83 176.91 3k84 h ARG 49 N -0.03 0.08 -0.76 1.69 2.43 -0.79 -1.13 114.38 115.86 3k84 h ARG 49 Ca 0.02 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3k84 h ARG 49 Cb 0.10 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3k84 h ARG 49 CO -0.00 0.05 0.26 0.00 -1.51 0.00 0.00 179.97 178.77 3k84 h ALA 50 N 1.40 1.00 -0.37 2.80 0.00 -0.72 -2.15 119.26 121.22 3k84 h ALA 50 Ca 0.22 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k84 h ALA 50 Cb 0.32 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3k84 h ALA 50 CO -0.38 0.66 0.23 0.77 0.00 0.00 0.00 179.25 180.52 3k84 h SER 51 N 1.12 0.44 -0.59 0.00 0.02 -0.59 -1.25 113.55 112.70 3k84 h SER 51 Ca 0.25 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 3k84 h SER 51 Cb 0.27 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3k84 h SER 51 CO -0.01 0.35 0.18 -0.07 -1.14 0.00 0.00 176.83 176.14 3k84 h LEU 52 N 0.48 0.89 -0.31 5.07 3.38 -1.10 -1.50 115.31 122.23 3k84 h LEU 52 Ca 0.13 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3k84 h LEU 52 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3k84 h LEU 52 CO -0.03 0.85 -0.00 -0.08 0.09 0.00 0.00 178.44 179.27 3k84 h GLU 53 N 0.92 0.55 -0.99 1.13 4.57 -1.20 -1.31 114.58 118.25 3k84 h GLU 53 Ca 0.20 -0.18 0.09 0.00 -1.18 0.00 0.00 59.36 58.30 3k84 h GLU 53 Cb 0.29 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.76 3k84 h GLU 53 CO -0.01 0.69 0.63 1.15 -1.18 0.00 0.00 179.01 180.30 3k84 h THR 54 N 0.35 1.01 -0.23 0.32 2.02 -1.02 -0.75 112.91 114.61 3k84 h THR 54 Ca 0.09 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 3k84 h THR 54 Cb 0.44 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3k84 h THR 54 CO 0.02 0.20 0.09 0.24 0.37 0.00 0.00 175.52 176.43 3k84 h MET 55 N 1.08 0.34 0.04 6.66 2.86 -0.99 -2.12 114.93 122.80 3k84 h MET 55 Ca 0.45 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 3k84 h MET 55 Cb 0.31 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 3k84 h MET 55 CO -0.21 0.40 -0.04 0.22 1.06 0.00 0.00 176.91 178.34 3k84 h ASP 56 N 0.21 -0.12 -0.47 1.22 3.58 -0.62 0.44 116.42 120.67 3k84 h ASP 56 Ca 0.08 0.01 0.07 0.00 0.42 0.00 0.00 57.03 57.61 3k84 h ASP 56 Cb 0.19 0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.22 3k84 h ASP 56 CO -0.01 -0.07 0.13 0.11 -2.88 0.00 0.00 179.24 176.52 3k84 h LYS 57 N -0.10 0.27 -0.77 0.28 1.57 -1.18 -0.11 116.57 116.54 3k84 h LYS 57 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3k84 h LYS 57 Cb 0.10 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 3k84 h LYS 57 CO -0.02 0.18 0.49 0.00 -0.57 0.00 0.00 179.45 179.54 3k84 h ALA 58 N 1.34 0.98 -0.29 3.86 0.00 -1.01 -2.28 119.26 121.85 3k84 h ALA 58 Ca 0.23 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3k84 h ALA 58 Cb 0.27 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3k84 h ALA 58 CO -0.26 0.42 -0.24 0.28 0.00 0.00 0.00 179.25 179.45 3k84 h VAL 59 N 1.05 1.30 -0.61 0.00 2.07 -0.53 -2.64 116.25 116.90 3k84 h VAL 59 Ca 0.28 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.33 3k84 h VAL 59 Cb -0.08 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3k84 h VAL 59 CO -0.06 0.44 0.04 1.56 0.02 0.00 0.00 177.57 179.58 3k84 h GLN 60 N 0.42 1.03 -0.10 1.57 1.08 -0.94 -1.19 115.11 116.99 3k84 h GLN 60 Ca 0.05 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 3k84 h GLN 60 Cb 0.79 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 3k84 h GLN 60 CO 0.06 0.99 0.07 -0.09 -0.95 0.00 0.00 178.83 178.90 3k84 h ARG 61 N 0.96 0.13 -0.19 1.46 1.12 -1.41 -2.13 114.38 114.32 3k84 h ARG 61 Ca 0.18 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.03 3k84 h ARG 61 Cb 0.49 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.41 3k84 h ARG 61 CO 0.02 0.10 0.09 0.35 -3.11 0.00 0.00 179.97 177.42 3k84 h PHE 62 N 0.13 0.27 -0.78 2.20 3.57 -1.26 -3.02 116.94 118.05 3k84 h PHE 62 Ca 0.04 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3k84 h PHE 62 Cb -0.00 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 3k84 h PHE 62 CO -0.07 0.29 0.51 0.00 -2.23 0.00 0.00 178.31 176.81 3k84 h ARG 63 N 0.18 0.82 0.00 1.11 3.08 -1.08 -1.03 114.38 117.47 3k84 h ARG 63 Ca 0.06 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3k84 h ARG 63 Cb 0.12 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3k84 h ARG 63 CO -0.01 0.55 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.07 3k84 h LEU 64 N 0.85 0.00 0.00 3.04 3.38 -1.26 -2.30 115.31 119.02 3k84 h LEU 64 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3k84 h LEU 64 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3k84 h LEU 64 CO -0.11 0.29 -0.33 0.00 0.09 0.00 0.00 178.44 178.37 3k84 n GLN 65 N -3.77 0.19 -3.05 1.13 1.13 -0.47 -4.44 117.38 108.09 3k84 n GLN 65 Ca -0.01 0.09 -0.18 0.00 -1.94 0.00 0.00 57.00 54.96 3k84 n GLN 65 Cb 0.39 -1.66 -0.02 0.00 0.11 0.00 0.00 30.24 29.06 3k84 n GLN 65 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3k84 n ASN 66 N -1.95 1.54 0.30 1.08 3.02 -0.73 -4.94 115.26 113.58 3k84 n ASN 66 Ca 0.05 -3.08 0.19 0.00 -0.03 0.00 0.00 54.58 51.71 3k84 n ASN 66 Cb 0.40 -0.59 0.89 0.00 -0.61 0.00 0.00 39.78 39.87 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 2.98 0.00 -0.01 3.52 0.13 -1.74 -3.02 132.00 133.87 3k84 h PRO 67 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3k84 h PRO 67 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3k84 h PRO 67 CO 0.55 0.02 -0.67 -0.25 -0.23 0.00 0.00 178.00 177.42 3k84 n ASP 68 N -3.16 1.45 -4.70 1.44 8.00 -1.26 -4.95 116.55 113.36 3k84 n ASP 68 Ca -0.01 -1.19 -0.43 0.00 0.71 0.00 0.00 54.79 53.87 3k84 n ASP 68 Cb 0.21 0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 41.93 3k84 n ASP 68 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3k84 n LEU 69 N -0.75 3.73 -4.48 0.64 7.94 -1.14 -4.90 117.00 118.03 3k84 n LEU 69 Ca 0.07 1.09 -0.44 0.00 -1.11 0.00 0.00 56.01 55.62 3k84 n LEU 69 Cb 0.40 -1.52 -0.01 0.00 0.53 0.00 0.00 43.42 42.81 3k84 n LEU 69 CO 0.34 -0.00 1.29 -0.62 -1.11 0.00 0.00 177.39 177.29 3k84 s ASP 70 N 0.94 6.80 0.26 1.96 3.68 -1.26 -4.85 116.67 124.20 3k84 s ASP 70 Ca 0.74 -2.38 0.01 0.00 2.13 0.00 0.00 52.55 53.05 3k84 s ASP 70 Cb -0.56 -2.44 0.34 0.00 -1.45 0.00 0.00 42.92 38.81 3k84 s ASP 70 CO 0.37 -1.00 1.68 0.77 0.13 0.00 0.00 175.17 177.12 3k84 h SER 71 N 8.17 0.55 0.12 -0.34 4.64 -1.98 -2.47 113.55 122.24 3k84 h SER 71 Ca 0.25 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3k84 h SER 71 Cb 0.95 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3k84 h SER 71 CO 1.23 0.81 -0.06 -0.08 -0.87 0.00 0.00 176.83 177.85 3k84 h GLU 72 N 0.47 -0.16 -0.64 4.77 4.57 -1.98 0.28 114.58 121.89 3k84 h GLU 72 Ca 0.06 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.35 3k84 h GLU 72 Cb 0.72 0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.27 3k84 h GLU 72 CO 0.06 -0.11 0.25 0.00 -1.18 0.00 0.00 179.01 178.03 3k84 h ALA 73 N 0.71 0.84 -0.28 2.92 0.00 -1.96 -1.73 119.26 119.75 3k84 h ALA 73 Ca -0.01 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3k84 h ALA 73 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3k84 h ALA 73 CO 0.02 -0.17 -0.01 1.25 0.00 0.00 0.00 179.25 180.34 3k84 h LEU 74 N 0.44 0.50 -1.56 0.00 6.46 -1.05 -2.86 115.31 117.24 3k84 h LEU 74 Ca 0.32 -0.32 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 3k84 h LEU 74 Cb 0.40 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.19 3k84 h LEU 74 CO -0.31 0.70 -0.16 -0.07 -0.62 0.00 0.00 178.44 177.98 3k84 h LEU 75 N 0.29 0.00 -1.36 2.25 3.38 -0.15 -3.00 115.31 116.72 3k84 h LEU 75 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3k84 h LEU 75 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3k84 h LEU 75 CO 0.02 0.16 -0.24 0.35 0.09 0.00 0.00 178.44 178.81 3k84 n THR 76 N -3.47 0.00 -1.91 0.22 -2.24 -0.68 -4.92 114.28 101.27 3k84 n THR 76 Ca -0.01 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.00 3k84 n THR 76 Cb 0.32 1.28 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 3k84 n THR 76 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k84 s LEU 77 N -2.26 4.37 0.52 3.22 1.43 -1.09 -4.97 118.68 119.90 3k84 s LEU 77 Ca 0.24 2.63 -0.22 0.00 -1.03 0.00 0.00 54.13 55.74 3k84 s LEU 77 Cb 0.19 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.75 3k84 s LEU 77 CO 0.44 -0.84 1.22 -2.65 0.23 0.00 0.00 176.35 174.75 3k84 n PRO 78 N 4.13 1.54 -0.32 1.29 -0.02 -1.26 -4.69 135.00 135.68 3k84 n PRO 78 Ca 0.14 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.28 3k84 n PRO 78 Cb 0.38 -2.39 0.27 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.39 0.60 -0.82 2.45 5.85 -1.93 0.01 115.31 122.86 3k84 h LEU 79 Ca -0.49 0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.46 3k84 h LEU 79 Cb 1.32 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.26 3k84 h LEU 79 CO 0.56 0.22 0.42 -0.07 -0.34 0.00 0.00 178.44 179.23 3k84 h LEU 80 N 0.65 0.53 0.06 2.25 -0.00 -1.94 0.15 115.31 117.00 3k84 h LEU 80 Ca 0.51 0.08 -0.25 0.00 -0.00 0.00 0.00 57.88 58.23 3k84 h LEU 80 Cb 0.78 -0.01 0.02 0.00 -0.00 0.00 0.00 40.66 41.45 3k84 h LEU 80 CO -0.39 0.25 -1.00 1.56 -0.00 0.00 0.00 178.44 178.86 3k84 h GLN 81 N 0.64 0.58 -0.63 1.13 4.20 -1.39 -2.19 115.11 117.45 3k84 h GLN 81 Ca 0.43 -0.70 0.10 0.00 0.06 0.00 0.00 58.65 58.54 3k84 h GLN 81 Cb 0.56 0.22 -0.08 0.00 0.30 0.00 0.00 27.48 28.48 3k84 h GLN 81 CO -0.33 1.29 0.24 1.25 -0.67 0.00 0.00 178.83 180.61 3k84 h LEU 82 N 0.18 0.23 -0.59 1.46 5.85 -0.90 -1.58 115.31 119.96 3k84 h LEU 82 Ca -0.14 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3k84 h LEU 82 Cb 1.69 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.75 3k84 h LEU 82 CO 0.19 0.13 0.27 0.58 -0.34 0.00 0.00 178.44 179.27 3k84 h VAL 83 N 0.42 1.22 -0.40 1.05 2.07 -0.65 -1.68 116.25 118.28 3k84 h VAL 83 Ca 0.32 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3k84 h VAL 83 Cb 0.41 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3k84 h VAL 83 CO -0.32 0.25 0.25 -0.61 0.02 0.00 0.00 177.57 177.17 3k84 h GLN 84 N 0.81 0.53 0.00 1.57 -0.00 -0.96 -0.43 115.11 116.64 3k84 h GLN 84 Ca 0.20 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.65 58.72 3k84 h GLN 84 Cb 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.50 3k84 h GLN 84 CO -0.02 0.37 -0.44 0.87 0.00 0.00 0.00 178.83 179.61 3k84 h LYS 85 N 0.53 0.00 -0.24 1.69 1.57 -1.13 -0.00 116.57 118.99 3k84 h LYS 85 Ca 0.14 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 3k84 h LYS 85 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 3k84 h LYS 85 CO -0.03 0.44 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.05 3k84 h LEU 86 N 0.00 0.55 -0.83 2.94 3.38 -0.98 -0.32 115.31 120.05 3k84 h LEU 86 Ca -0.00 -0.44 -0.11 0.00 0.09 0.00 0.00 57.88 57.42 3k84 h LEU 86 Cb 0.86 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3k84 h LEU 86 CO 0.06 0.88 -0.27 -0.61 0.09 0.00 0.00 178.44 178.59 3k84 h GLN 87 N 0.23 0.57 0.00 1.13 5.75 -0.67 -2.86 115.11 119.26 3k84 h GLN 87 Ca 0.05 -0.23 -0.07 0.00 -0.15 0.00 0.00 58.65 58.24 3k84 h GLN 87 Cb 0.70 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 3k84 h GLN 87 CO 0.05 0.78 -0.35 0.66 -2.65 0.00 0.00 178.83 177.32 3k84 h SER 88 N 0.50 0.00 0.00 -0.69 4.64 -1.06 -3.47 113.55 113.46 3k84 h SER 88 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3k84 h SER 88 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3k84 h SER 88 CO 0.06 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 176.98 3k84 n GLY 89 N 0.85 0.44 0.35 -0.77 0.00 -0.90 -4.97 105.19 100.19 3k84 n GLY 89 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 4.56 1.21 -5.87 1.61 4.81 -1.39 -3.40 114.58 116.10 3k84 h GLU 90 Ca 0.00 -0.17 -0.67 0.00 -0.13 0.00 0.00 59.36 58.39 3k84 h GLU 90 Cb 0.00 -0.22 -0.19 0.00 0.63 0.00 0.00 28.75 28.97 3k84 h GLU 90 CO 0.00 0.91 -0.67 -0.51 -0.73 0.00 0.00 179.01 178.02 3k84 s LEU 91 N -9.82 3.29 0.35 1.64 1.43 -0.43 -5.01 118.68 110.14 3k84 s LEU 91 Ca -0.12 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 52.80 3k84 s LEU 91 Cb 0.16 -1.75 -0.10 0.00 0.03 0.00 0.00 46.19 44.54 3k84 s LEU 91 CO 0.83 0.32 0.80 -0.94 0.23 0.00 0.00 176.35 177.58 3k84 s SER 92 N -0.52 6.83 0.43 2.29 1.04 -1.26 -4.23 113.70 118.28 3k84 s SER 92 Ca 0.08 1.40 0.10 0.00 0.48 0.00 0.00 55.95 58.02 3k84 s SER 92 Cb -0.12 -2.42 0.97 0.00 0.10 0.00 0.00 66.02 64.55 3k84 s SER 92 CO 0.02 -0.25 2.05 -0.65 0.98 0.00 0.00 173.24 175.40 3k84 h PRO 93 N 2.17 0.41 -0.36 4.02 0.11 -1.92 -2.61 132.00 133.82 3k84 h PRO 93 Ca -0.48 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 3k84 h PRO 93 Cb 1.18 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3k84 h PRO 93 CO 0.64 0.27 -0.27 0.93 -0.21 0.00 0.00 178.00 179.37 3k84 h GLU 94 N 0.43 0.82 -0.12 1.05 3.07 -1.93 -0.29 114.58 117.60 3k84 h GLU 94 Ca 0.16 -0.40 0.02 0.00 -0.50 0.00 0.00 59.36 58.64 3k84 h GLU 94 Cb 0.12 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 3k84 h GLU 94 CO -0.04 1.03 0.02 0.00 -1.40 0.00 0.00 179.01 178.63 3k84 h ALA 95 N 0.77 0.12 -0.39 3.43 0.00 -1.88 -0.93 119.26 120.38 3k84 h ALA 95 Ca 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3k84 h ALA 95 Cb 0.84 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3k84 h ALA 95 CO 0.07 -0.43 0.14 0.28 0.00 0.00 0.00 179.25 179.31 3k84 h VAL 96 N 0.07 1.20 0.34 0.00 2.07 -1.43 -2.21 116.25 116.29 3k84 h VAL 96 Ca 0.05 -0.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3k84 h VAL 96 Cb 0.05 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3k84 h VAL 96 CO -0.08 0.23 -0.16 0.15 0.02 0.00 0.00 177.57 177.73 3k84 h PHE 97 N 0.49 -0.42 0.00 1.57 3.04 -0.87 -1.78 116.94 118.96 3k84 h PHE 97 Ca 0.13 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 3k84 h PHE 97 Cb 0.22 0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.86 3k84 h PHE 97 CO 0.00 -0.16 -0.16 0.74 -2.02 0.00 0.00 178.31 176.71 3k84 h PHE 98 N -0.61 0.00 -0.01 0.41 0.04 -1.24 0.60 116.94 116.13 3k84 h PHE 98 Ca -0.05 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.67 3k84 h PHE 98 Cb 0.44 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.60 3k84 h PHE 98 CO -0.01 0.16 -0.21 1.15 -0.60 0.00 0.00 178.31 178.79 3k84 h THR 99 N 0.00 1.53 -0.45 -1.55 2.02 -1.38 -1.60 112.91 111.48 3k84 h THR 99 Ca -0.00 -1.85 -0.04 0.00 0.77 0.00 0.00 66.41 65.28 3k84 h THR 99 Cb 0.78 2.68 -0.02 0.00 -1.74 0.00 0.00 68.15 69.85 3k84 h THR 99 CO 0.02 0.51 0.11 1.88 0.37 0.00 0.00 175.52 178.41 3k84 h TYR 100 N -0.49 0.69 -0.51 3.16 0.05 -1.24 -2.11 116.97 116.52 3k84 h TYR 100 Ca -0.02 -0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.66 3k84 h TYR 100 Cb 0.94 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.45 3k84 h TYR 100 CO 0.17 0.59 0.12 1.25 -1.05 0.00 0.00 178.16 179.24 3k84 h LEU 101 N 0.66 0.78 -0.42 3.88 5.85 -0.90 0.11 115.31 125.26 3k84 h LEU 101 Ca 0.15 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3k84 h LEU 101 Cb 0.24 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3k84 h LEU 101 CO -0.00 0.81 0.20 1.23 -0.34 0.00 0.00 178.44 180.33 3k84 h GLY 102 N 0.71 0.57 0.94 3.75 0.00 -1.08 -1.72 103.07 106.24 3k84 h GLY 102 Ca 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3k84 h GLY 102 CO 0.00 0.08 0.16 1.70 0.00 0.00 0.00 176.54 178.48 3k84 h LYS 103 N 0.40 0.60 -0.55 4.80 1.63 -1.09 -1.17 116.57 121.19 3k84 h LYS 103 Ca 0.19 -0.11 0.04 0.00 -0.85 0.00 0.00 60.65 59.91 3k84 h LYS 103 Cb 0.11 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 3k84 h LYS 103 CO -0.14 0.57 0.30 0.00 -3.45 0.00 0.00 179.45 176.73 3k84 h ALA 104 N 1.00 0.71 -0.35 5.00 0.00 -0.62 0.79 119.26 125.80 3k84 h ALA 104 Ca 0.13 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3k84 h ALA 104 Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3k84 h ALA 104 CO -0.01 -0.01 0.19 2.35 0.00 0.00 0.00 179.25 181.77 3k84 h TRP 105 N 0.59 0.47 -0.16 0.00 7.01 -1.18 -0.72 115.95 121.97 3k84 h TRP 105 Ca 0.24 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.22 3k84 h TRP 105 Cb 0.10 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 3k84 h TRP 105 CO -0.08 0.37 0.09 0.93 -2.79 0.00 0.00 178.44 176.96 3k84 h GLU 106 N 0.44 0.22 0.00 2.65 5.08 -0.69 -3.07 114.58 119.21 3k84 h GLU 106 Ca 0.12 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3k84 h GLU 106 Cb 0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3k84 h GLU 106 CO -0.02 0.21 -0.30 -0.39 -1.00 0.00 0.00 179.01 177.52 3k84 h VAL 107 N 0.16 0.58 0.00 3.13 -1.51 -0.83 -2.67 116.25 115.12 3k84 h VAL 107 Ca 0.06 -1.52 -0.02 0.00 -1.23 0.00 0.00 66.70 63.99 3k84 h VAL 107 Cb 0.06 2.05 -0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3k84 h VAL 107 CO -0.01 0.29 -0.10 -1.13 -1.23 0.00 0.00 177.57 175.39 3k84 h ASN 108 N 0.00 0.00 -0.77 4.19 -1.24 -1.03 -2.98 115.58 113.75 3k84 h ASN 108 Ca -0.00 0.00 0.12 0.00 0.71 0.00 0.00 56.30 57.12 3k84 h ASN 108 Cb 1.03 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.99 3k84 h ASN 108 CO 0.04 0.10 0.39 0.11 -1.29 0.00 0.00 177.43 176.78 3k84 h LYS 109 N 0.00 0.60 -0.00 6.67 1.57 -1.45 0.17 116.57 124.12 3k84 h LYS 109 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3k84 h LYS 109 Cb 0.21 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3k84 h LYS 109 CO 0.01 0.40 -0.61 0.41 -0.57 0.00 0.00 179.45 179.08 3k84 n GLY 110 N -1.31 -0.80 0.00 3.86 0.00 -1.17 -4.58 105.19 101.19 3k84 n GLY 110 Ca 0.14 -0.50 -0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.05 0.06 -3.69 2.61 -2.24 -0.89 -4.71 114.28 104.37 3k84 n THR 111 Ca 0.07 -0.04 -0.22 0.00 -2.27 0.00 0.00 64.05 61.58 3k84 n THR 111 Cb 0.36 -0.73 0.03 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.95 -1.97 -0.00 3.42 5.15 0.56 -1.45 115.26 119.01 3k84 n ASN 112 Ca -0.01 -0.85 0.08 0.00 -0.60 0.00 0.00 54.58 53.19 3k84 n ASN 112 Cb 0.45 -3.97 -0.14 0.00 -0.53 0.00 0.00 39.78 35.60 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 -3.33 5.31 -0.16 0.00 1.01 -1.26 -0.08 120.40 121.90 3k84 s VAL 114 Ca -0.07 0.35 0.12 0.00 0.00 0.00 0.00 61.98 62.39 3k84 s VAL 114 Cb 0.12 -3.57 -0.23 0.00 0.00 0.00 0.00 36.38 32.69 3k84 s VAL 114 CO 0.87 0.33 0.20 0.35 0.00 0.00 0.00 175.10 176.85 3k84 n THR 115 N 4.21 1.49 -3.70 3.92 -2.24 0.15 -4.87 114.28 113.23 3k84 n THR 115 Ca -0.13 -0.79 -0.14 0.00 -2.27 0.00 0.00 64.05 60.73 3k84 n THR 115 Cb 0.52 -0.85 -0.09 0.00 -2.10 0.00 0.00 70.33 67.81 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 -5.91 -0.50 -0.21 3.42 0.15 -1.15 -4.05 113.70 105.44 3k84 s SER 116 Ca -0.13 0.93 -0.18 0.00 0.70 0.00 0.00 55.95 57.27 3k84 s SER 116 Cb 0.07 0.95 -0.03 0.00 -1.71 0.00 0.00 66.02 65.30 3k84 s SER 116 CO 0.79 -0.20 0.50 -0.47 1.20 0.00 0.00 173.24 175.06 3k84 s TYR 117 N 0.12 3.36 -1.24 3.44 6.04 -1.26 -0.94 117.35 126.87 3k84 s TYR 117 Ca -0.01 0.74 -0.18 0.00 0.04 0.00 0.00 57.07 57.66 3k84 s TYR 117 Cb -0.03 -2.66 0.08 0.00 -1.04 0.00 0.00 41.96 38.31 3k84 s TYR 117 CO 0.01 -0.11 1.65 -0.51 -1.54 0.00 0.00 175.55 175.05 3k84 s LEU 118 N 1.68 3.97 0.46 6.97 1.43 -0.31 -4.86 118.68 128.02 3k84 s LEU 118 Ca 0.23 -2.37 0.20 0.00 -1.03 0.00 0.00 54.13 51.17 3k84 s LEU 118 Cb -0.15 -2.55 1.19 0.00 0.03 0.00 0.00 46.19 44.70 3k84 s LEU 118 CO 0.09 -1.16 1.90 0.74 0.23 0.00 0.00 176.35 178.15 3k84 h THR 119 N 5.64 0.70 0.00 5.49 2.02 -1.95 -1.05 112.91 123.76 3k84 h THR 119 Ca 0.39 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.48 3k84 h THR 119 Cb 0.89 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3k84 h THR 119 CO 1.42 0.05 0.00 -0.90 0.37 0.00 0.00 175.52 176.46 3k84 n ASP 120 N -4.44 0.00 0.10 4.18 3.85 -1.26 -3.85 116.55 115.13 3k84 n ASP 120 Ca 0.16 -0.45 0.09 0.00 -0.71 0.00 0.00 54.79 53.88 3k84 n ASP 120 Cb 0.67 -0.10 0.42 0.00 -1.35 0.00 0.00 41.12 40.77 3k84 n ASP 120 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k84 h GLU 122 N 0.00 0.23 -0.11 0.00 5.08 -1.84 0.29 114.58 118.23 3k84 h GLU 122 Ca 0.00 -0.26 -0.16 0.00 -1.00 0.00 0.00 59.36 57.94 3k84 h GLU 122 Cb 0.20 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3k84 h GLU 122 CO 0.00 1.00 -0.61 1.79 -1.00 0.00 0.00 179.01 180.19 3k84 h THR 123 N 0.12 1.36 -0.63 1.13 1.35 -1.71 -2.87 112.91 111.66 3k84 h THR 123 Ca -0.06 -1.95 -0.08 0.00 -0.55 0.00 0.00 66.41 63.78 3k84 h THR 123 Cb 1.57 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 69.91 3k84 h THR 123 CO 0.14 0.59 0.09 -0.61 -0.25 0.00 0.00 175.52 175.48 3k84 h GLN 124 N 0.28 1.05 -0.97 4.72 5.75 -1.46 -2.21 115.11 122.27 3k84 h GLN 124 Ca -0.01 -0.29 0.08 0.00 -0.15 0.00 0.00 58.65 58.28 3k84 h GLN 124 Cb 1.14 -0.12 -0.07 0.00 1.07 0.00 0.00 27.48 29.50 3k84 h GLN 124 CO 0.10 0.99 0.63 1.25 -2.65 0.00 0.00 178.83 179.15 3k84 h LEU 125 N 0.96 0.97 0.00 -2.39 5.85 -0.92 0.06 115.31 119.85 3k84 h LEU 125 Ca 0.19 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3k84 h LEU 125 Cb 0.45 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3k84 h LEU 125 CO 0.02 0.60 -0.03 0.77 -0.34 0.00 0.00 178.44 179.45 3k84 h SER 126 N 1.08 0.00 -0.24 1.25 4.64 -1.27 -3.26 113.55 115.76 3k84 h SER 126 Ca 0.44 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3k84 h SER 126 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3k84 h SER 126 CO -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.78 3k84 n GLN 127 N -2.31 1.98 -1.67 4.77 6.02 -0.67 -5.03 117.38 120.47 3k84 n GLN 127 Ca 0.05 -1.79 -0.45 0.00 -0.01 0.00 0.00 57.00 54.81 3k84 n GLN 127 Cb 0.44 -1.30 -0.04 0.00 1.02 0.00 0.00 30.24 30.36 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 0.75 1.28 -1.67 -1.58 0.00 -0.08 -4.88 120.51 114.34 3k84 n ALA 128 Ca 0.11 0.23 -0.49 0.00 0.00 0.00 0.00 53.44 53.29 3k84 n ALA 128 Cb 0.41 -2.61 -0.05 0.00 0.00 0.00 0.00 19.45 17.20 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 7.20 1.87 0.12 0.00 -0.02 -1.26 -4.87 135.00 138.03 3k84 n PRO 129 Ca 0.21 0.68 -0.03 0.00 -2.02 0.00 0.00 63.50 62.35 3k84 n PRO 129 Cb 0.36 -2.44 0.16 0.00 -0.02 0.00 0.00 33.50 31.56 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 6.98 0.10 -0.40 -0.52 9.65 -1.95 -1.69 114.38 126.55 3k84 h ARG 130 Ca -0.47 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 3k84 h ARG 130 Cb 1.28 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 3k84 h ARG 130 CO 0.90 0.66 0.00 1.04 2.80 0.00 0.00 179.97 185.37 3k84 n GLN 131 N -3.85 2.20 -1.69 0.20 3.00 -1.26 -4.87 117.38 111.10 3k84 n GLN 131 Ca -0.02 -1.84 -0.42 0.00 -0.01 0.00 0.00 57.00 54.72 3k84 n GLN 131 Cb 0.60 -1.44 0.01 0.00 0.00 0.00 0.00 30.24 29.40 3k84 n GLN 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k84 n GLY 132 N 1.35 0.49 0.26 1.08 0.00 -0.64 -4.87 105.19 102.86 3k84 n GLY 132 Ca 0.18 0.23 0.17 0.00 0.00 0.00 0.00 46.02 46.60 3k84 n GLY 132 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k84 h LEU 133 N 2.20 0.00 -3.21 0.99 3.38 -1.86 -1.97 115.31 114.85 3k84 h LEU 133 Ca -0.47 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 3k84 h LEU 133 Cb 1.29 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 3k84 h LEU 133 CO 0.61 0.00 -0.20 0.18 0.09 0.00 0.00 178.44 179.12 3k84 n LEU 134 N -2.87 3.53 -4.55 1.67 4.77 0.47 -5.03 117.00 114.98 3k84 n LEU 134 Ca 0.00 -3.71 -0.55 0.00 -0.03 0.00 0.00 56.01 51.72 3k84 n LEU 134 Cb 0.23 -0.58 -0.08 0.00 -2.33 0.00 0.00 43.42 40.66 3k84 n LEU 134 CO 0.23 1.22 1.57 0.00 -1.33 0.00 0.00 177.39 179.08 3k84 n TYR 135 N -1.10 1.79 -0.30 -1.77 4.19 -0.74 -1.65 117.16 117.58 3k84 n TYR 135 Ca 0.27 0.44 0.00 0.00 3.31 0.00 0.00 57.90 61.91 3k84 n TYR 135 Cb 0.89 -2.48 0.00 0.00 0.49 0.00 0.00 39.34 38.24 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 5.51 1.30 3.67 2.98 0.00 0.68 -4.70 105.19 114.62 3k84 n GLY 136 Ca 0.35 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.90 4.64 0.13 1.61 1.01 -0.66 -4.66 120.40 119.58 3k84 s VAL 137 Ca 0.00 1.96 -0.31 0.00 0.00 0.00 0.00 61.98 63.63 3k84 s VAL 137 Cb 0.00 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.04 3k84 s VAL 137 CO 0.00 -0.11 1.30 -2.84 0.00 0.00 0.00 175.10 173.45 3k84 s PRO 138 N 2.84 4.38 -0.07 2.72 0.02 -1.26 -0.23 135.00 143.41 3k84 s PRO 138 Ca 0.47 1.98 0.03 0.00 0.02 0.00 0.00 61.00 63.50 3k84 s PRO 138 Cb -0.17 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.10 3k84 s PRO 138 CO 0.11 -0.31 -0.18 0.08 -0.33 0.00 0.00 177.00 176.38 3k84 s VAL 139 N 0.69 1.55 0.11 3.83 1.01 -0.75 -4.21 120.40 122.63 3k84 s VAL 139 Ca 0.60 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 3k84 s VAL 139 Cb -0.35 -1.36 -0.06 0.00 0.00 0.00 0.00 36.38 34.61 3k84 s VAL 139 CO 0.33 0.45 0.44 -0.94 0.00 0.00 0.00 175.10 175.37 3k84 s SER 140 N 0.38 6.66 -0.10 3.32 1.04 -0.53 -1.29 113.70 123.18 3k84 s SER 140 Ca -0.13 0.84 0.02 0.00 0.48 0.00 0.00 55.95 57.16 3k84 s SER 140 Cb -0.16 -2.19 0.01 0.00 0.10 0.00 0.00 66.02 63.78 3k84 s SER 140 CO 0.05 0.13 -0.16 -0.76 0.98 0.00 0.00 173.24 173.49 3k84 s LEU 141 N -2.05 1.75 0.41 2.42 1.43 -0.32 -2.07 118.68 120.25 3k84 s LEU 141 Ca 0.36 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 3k84 s LEU 141 Cb -0.14 -1.07 -0.11 0.00 0.03 0.00 0.00 46.19 44.91 3k84 s LEU 141 CO 0.19 0.04 1.07 1.17 0.23 0.00 0.00 176.35 179.05 3k84 n LYS 142 N 4.00 1.48 0.31 1.70 4.81 -0.90 -0.43 118.16 129.14 3k84 n LYS 142 Ca -0.20 0.53 0.21 0.00 -0.87 0.00 0.00 58.31 57.98 3k84 n LYS 142 Cb 0.52 -2.10 1.11 0.00 0.02 0.00 0.00 35.03 34.57 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 1.70 0.00 0.00 1.64 4.81 -1.73 -2.16 114.58 118.84 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 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 3k84 h GLU 143 CO 0.58 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.86 3k84 s PHE 145 N -3.02 2.48 0.14 0.00 0.40 -0.81 -0.36 117.98 116.80 3k84 s PHE 145 Ca 0.13 0.51 -0.33 0.00 -0.60 0.00 0.00 56.93 56.64 3k84 s PHE 145 Cb 0.17 -4.43 -0.13 0.00 0.51 0.00 0.00 43.02 39.14 3k84 s PHE 145 CO 0.54 -1.76 1.66 0.43 0.70 0.00 0.00 175.22 176.80 3k84 n SER 146 N 8.87 3.40 -3.99 1.36 7.64 -1.17 -4.87 113.62 124.86 3k84 n SER 146 Ca 0.12 1.06 -0.26 0.00 1.01 0.00 0.00 58.87 60.79 3k84 n SER 146 Cb 0.49 -1.46 -0.17 0.00 -1.01 0.00 0.00 64.21 62.06 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 1.43 1.60 -0.08 1.43 5.04 -1.26 -1.08 117.35 124.43 3k84 s TYR 147 Ca 0.80 -0.72 -0.37 0.00 -2.44 0.00 0.00 57.07 54.34 3k84 s TYR 147 Cb -0.63 -1.22 -0.15 0.00 0.35 0.00 0.00 41.96 40.31 3k84 s TYR 147 CO 0.38 -0.42 1.64 1.17 -1.34 0.00 0.00 175.55 176.98 3k84 n LYS 148 N 4.35 1.52 -0.05 4.97 4.81 -1.25 -1.49 118.16 131.03 3k84 n LYS 148 Ca -0.18 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 3k84 n LYS 148 Cb 0.51 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.29 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 3.68 0.61 3.33 3.14 0.00 0.33 -4.97 105.19 111.31 3k84 n GLY 149 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.25 2.27 0.62 1.61 3.76 -0.55 -4.74 115.29 116.02 3k84 s HIS 150 Ca 0.00 -0.41 -0.17 0.00 -0.15 0.00 0.00 55.06 54.33 3k84 s HIS 150 Cb 0.00 -1.37 -0.02 0.00 1.11 0.00 0.00 32.58 32.30 3k84 s HIS 150 CO 0.00 0.10 1.16 -0.51 -0.85 0.00 0.00 174.74 174.64 3k84 s ASP 151 N -1.14 5.10 -0.60 1.40 -0.00 -1.26 -0.41 116.67 119.76 3k84 s ASP 151 Ca 0.11 2.24 0.04 0.00 -0.00 0.00 0.00 52.55 54.94 3k84 s ASP 151 Cb -0.10 -2.58 0.15 0.00 -0.00 0.00 0.00 42.92 40.39 3k84 s ASP 151 CO 0.02 -1.64 0.38 -0.44 -0.00 0.00 0.00 175.17 173.48 3k84 s SER 152 N -1.97 4.32 0.17 0.27 0.01 -1.26 -4.88 113.70 110.37 3k84 s SER 152 Ca 0.73 -3.40 -0.03 0.00 1.31 0.00 0.00 55.95 54.56 3k84 s SER 152 Cb -0.26 -1.50 0.05 0.00 0.21 0.00 0.00 66.02 64.52 3k84 s SER 152 CO 0.36 -0.16 1.44 0.71 0.41 0.00 0.00 173.24 176.00 3k84 h THR 153 N 4.86 1.35 -1.94 1.44 1.35 -1.83 -3.47 112.91 114.67 3k84 h THR 153 Ca 0.06 -2.03 -0.42 0.00 -0.55 0.00 0.00 66.41 63.47 3k84 h THR 153 Cb 0.83 2.01 -0.09 0.00 -1.73 0.00 0.00 68.15 69.16 3k84 h THR 153 CO 0.66 0.62 -0.46 0.18 -0.25 0.00 0.00 175.52 176.28 3k84 n LEU 154 N -3.88 -1.72 0.00 3.87 4.77 -1.26 -2.00 117.00 116.78 3k84 n LEU 154 Ca -0.04 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3k84 n LEU 154 Cb 0.68 -2.88 0.00 0.00 -2.33 0.00 0.00 43.42 38.90 3k84 n LEU 154 CO 0.48 -0.66 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 3k84 n GLY 155 N -0.72 0.33 3.58 -0.72 0.00 -1.26 0.25 105.19 106.64 3k84 n GLY 155 Ca -0.23 0.00 -0.34 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 3.56 0.48 0.99 1.43 -0.85 -4.27 118.68 120.02 3k84 s LEU 156 Ca 0.00 -0.00 0.19 0.00 -1.03 0.00 0.00 54.13 53.29 3k84 s LEU 156 Cb 0.00 -1.88 1.20 0.00 0.03 0.00 0.00 46.19 45.55 3k84 s LEU 156 CO 0.00 0.19 1.99 0.28 0.23 0.00 0.00 176.35 179.03 3k84 h SER 157 N 6.58 0.19 0.77 2.29 0.02 -1.88 -2.08 113.55 119.45 3k84 h SER 157 Ca -0.35 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.57 3k84 h SER 157 Cb 1.18 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 3k84 h SER 157 CO 0.66 0.11 -0.16 0.17 -1.14 0.00 0.00 176.83 176.47 3k84 h LEU 158 N 0.21 0.00 -1.73 5.07 -0.00 -1.91 -2.50 115.31 114.46 3k84 h LEU 158 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 3k84 h LEU 158 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 3k84 h LEU 158 CO -0.05 0.16 0.00 0.59 -0.00 0.00 0.00 178.44 179.14 3k84 n ASN 159 N -3.40 2.64 -4.73 0.17 3.02 -0.78 -4.92 115.26 107.26 3k84 n ASN 159 Ca -0.00 -1.86 -0.41 0.00 -0.03 0.00 0.00 54.58 52.28 3k84 n ASN 159 Cb 0.35 -0.08 -0.04 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.83 4.67 -0.79 3.52 -6.30 -0.94 -3.51 118.70 113.52 3k84 s GLU 160 Ca 0.34 1.40 -0.01 0.00 -2.50 0.00 0.00 54.97 54.20 3k84 s GLU 160 Cb 0.21 -3.37 0.00 0.00 0.00 0.00 0.00 34.13 30.96 3k84 s GLU 160 CO 0.31 0.22 0.11 0.41 0.02 0.00 0.00 175.26 176.33 3k84 n GLY 161 N 2.26 0.03 2.30 -1.50 0.00 -1.26 -4.98 105.19 102.04 3k84 n GLY 161 Ca 0.02 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.06 1.61 -2.13 1.61 2.81 -1.23 -5.11 117.12 112.61 3k84 n MET 162 Ca -0.09 -3.93 -0.38 0.00 -1.81 0.00 0.00 57.70 51.48 3k84 n MET 162 Cb 0.58 -1.72 -0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 -1.83 3.83 0.54 0.03 0.04 -1.26 -4.51 135.00 131.85 3k84 s PRO 163 Ca 0.37 1.99 -0.22 0.00 0.04 0.00 0.00 61.00 63.18 3k84 s PRO 163 Cb 0.16 -2.59 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 3k84 s PRO 163 CO -0.06 -0.55 1.36 0.45 0.04 0.00 0.00 177.00 178.24 3k84 s SER 164 N -1.02 5.30 0.00 6.66 0.15 0.45 -4.81 113.70 120.43 3k84 s SER 164 Ca 0.60 2.77 0.18 0.00 0.70 0.00 0.00 55.95 60.20 3k84 s SER 164 Cb -0.34 -2.64 0.13 0.00 -1.71 0.00 0.00 66.02 61.46 3k84 s SER 164 CO 0.43 -1.55 1.06 -0.62 1.20 0.00 0.00 173.24 173.75 3k84 n GLU 165 N -0.99 1.55 -3.48 5.44 1.02 -1.26 -0.51 120.64 122.40 3k84 n GLU 165 Ca 0.10 -1.50 -0.13 0.00 -0.02 0.00 0.00 57.16 55.61 3k84 n GLU 165 Cb 0.45 -1.35 -0.04 0.00 -0.02 0.00 0.00 31.44 30.49 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 -1.58 -0.56 0.33 1.62 1.04 -1.26 -4.86 113.70 108.43 3k84 s SER 166 Ca 0.20 0.28 -0.29 0.00 0.48 0.00 0.00 55.95 56.63 3k84 s SER 166 Cb 0.15 0.53 -0.10 0.00 0.10 0.00 0.00 66.02 66.69 3k84 s SER 166 CO 0.25 -0.75 1.32 -1.81 0.98 0.00 0.00 173.24 173.24 3k84 s ASP 167 N -2.04 6.75 0.96 7.02 -0.00 -1.26 -3.86 116.67 124.23 3k84 s ASP 167 Ca -0.03 2.71 -0.12 0.00 -0.00 0.00 0.00 52.55 55.11 3k84 s ASP 167 Cb -0.01 -2.65 0.17 0.00 -0.00 0.00 0.00 42.92 40.43 3k84 s ASP 167 CO -0.03 -0.56 1.09 0.00 -0.00 0.00 0.00 175.17 175.67 3k84 h VAL 169 N -1.86 1.00 -0.06 0.00 2.07 -1.73 -1.58 116.25 114.10 3k84 h VAL 169 Ca -0.51 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 3k84 h VAL 169 Cb 1.29 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3k84 h VAL 169 CO 0.51 0.07 -0.22 -0.37 0.02 0.00 0.00 177.57 177.58 3k84 h VAL 170 N 0.37 1.19 -0.59 2.57 -1.51 -1.81 -1.44 116.25 115.03 3k84 h VAL 170 Ca 0.14 -0.89 -0.10 0.00 -1.23 0.00 0.00 66.70 64.61 3k84 h VAL 170 Cb 0.04 1.40 -0.02 0.00 -2.13 0.00 0.00 31.29 30.57 3k84 h VAL 170 CO -0.09 0.26 -0.03 0.58 -1.23 0.00 0.00 177.57 177.06 3k84 h VAL 171 N 0.09 1.27 -0.42 7.19 2.07 -1.72 -1.51 116.25 123.22 3k84 h VAL 171 Ca 0.02 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3k84 h VAL 171 Cb 0.45 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3k84 h VAL 171 CO 0.03 0.43 0.26 1.56 0.02 0.00 0.00 177.57 179.87 3k84 h GLN 172 N 0.97 0.56 -0.34 1.57 4.20 -0.47 -2.16 115.11 119.44 3k84 h GLN 172 Ca 0.16 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 3k84 h GLN 172 Cb 0.60 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 3k84 h GLN 172 CO 0.04 0.41 0.14 0.28 -0.67 0.00 0.00 178.83 179.03 3k84 h VAL 173 N 0.55 1.18 -0.59 -0.54 2.07 -1.21 -0.03 116.25 117.68 3k84 h VAL 173 Ca 0.15 -0.54 0.10 0.00 0.82 0.00 0.00 66.70 67.22 3k84 h VAL 173 Cb -0.01 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 30.59 3k84 h VAL 173 CO -0.03 0.19 0.18 -0.07 0.02 0.00 0.00 177.57 177.86 3k84 h LEU 174 N 0.40 0.12 -0.78 2.57 3.38 -1.22 0.13 115.31 119.92 3k84 h LEU 174 Ca 0.11 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 3k84 h LEU 174 Cb 0.17 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3k84 h LEU 174 CO -0.01 0.08 -0.18 0.11 0.09 0.00 0.00 178.44 178.53 3k84 h LYS 175 N 0.33 0.73 0.00 1.13 1.57 -1.16 -0.57 116.57 118.59 3k84 h LYS 175 Ca 0.30 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 3k84 h LYS 175 Cb 0.40 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3k84 h LYS 175 CO -0.34 0.86 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.21 3k84 h LEU 176 N 0.65 0.00 -1.86 2.94 3.38 -0.41 -2.30 115.31 117.72 3k84 h LEU 176 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3k84 h LEU 176 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3k84 h LEU 176 CO 0.05 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.70 3k84 n GLN 177 N -3.33 2.43 -0.80 1.13 1.13 -0.02 -4.74 117.38 113.18 3k84 n GLN 177 Ca -0.00 -1.54 0.00 0.00 -1.94 0.00 0.00 57.00 53.52 3k84 n GLN 177 Cb 0.33 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.11 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 0.78 0.71 3.86 1.08 0.00 -0.86 -0.40 105.19 110.35 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 -2.56 3.15 -0.64 4.61 0.00 -0.25 -0.23 121.76 125.83 3k84 s ALA 179 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 51.96 52.00 3k84 s ALA 179 Cb 0.00 -3.00 0.16 0.00 0.00 0.00 0.00 23.12 20.27 3k84 s ALA 179 CO 0.00 -0.32 0.41 0.08 0.00 0.00 0.00 175.76 175.93 3k84 s VAL 180 N -2.73 2.86 0.11 0.00 1.01 0.69 -4.23 120.40 118.10 3k84 s VAL 180 Ca 0.56 -3.85 -0.34 0.00 0.00 0.00 0.00 61.98 58.34 3k84 s VAL 180 Cb -0.10 -2.91 -0.14 0.00 0.00 0.00 0.00 36.38 33.23 3k84 s VAL 180 CO 0.38 -0.92 1.61 -2.65 0.00 0.00 0.00 175.10 173.52 3k84 n PRO 181 N 2.47 2.07 0.00 2.72 -0.02 -1.26 -1.81 135.00 139.18 3k84 n PRO 181 Ca 0.14 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3k84 n PRO 181 Cb 0.34 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 3.91 0.00 -3.95 6.00 -1.74 -0.41 -4.67 117.46 116.60 3k84 n PHE 182 Ca 0.18 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.98 3k84 n PHE 182 Cb 0.28 0.00 -0.10 0.00 1.52 0.00 0.00 39.48 41.18 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 -1.56 0.12 -0.09 1.97 -7.23 -1.26 -1.16 120.40 111.19 3k84 s VAL 183 Ca 0.00 -1.02 -0.14 0.00 -1.81 0.00 0.00 61.98 59.02 3k84 s VAL 183 Cb 0.00 -0.64 -0.05 0.00 0.56 0.00 0.00 36.38 36.25 3k84 s VAL 183 CO 0.00 -0.56 0.34 -1.00 -0.31 0.00 0.00 175.10 173.57 3k84 s HIS 184 N -2.09 3.58 0.13 2.82 3.76 -0.12 -1.18 115.29 122.20 3k84 s HIS 184 Ca -0.10 0.76 0.06 0.00 -0.15 0.00 0.00 55.06 55.64 3k84 s HIS 184 Cb -0.05 -2.30 -0.04 0.00 1.11 0.00 0.00 32.58 31.31 3k84 s HIS 184 CO -0.03 0.44 -0.02 0.95 -0.85 0.00 0.00 174.74 175.23 3k84 s THR 185 N -0.26 3.77 0.63 1.30 -4.23 0.43 -0.68 115.64 116.61 3k84 s THR 185 Ca 0.20 -1.22 -0.17 0.00 -1.18 0.00 0.00 61.69 59.31 3k84 s THR 185 Cb -0.14 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.85 3k84 s THR 185 CO 0.08 0.02 1.18 0.21 -0.54 0.00 0.00 174.62 175.57 3k84 s ASN 186 N -2.55 5.02 0.06 3.99 2.47 0.89 -2.03 114.94 122.78 3k84 s ASN 186 Ca 0.26 2.28 0.01 0.00 0.42 0.00 0.00 52.86 55.83 3k84 s ASN 186 Cb -0.11 -2.59 -0.03 0.00 -1.45 0.00 0.00 41.25 37.08 3k84 s ASN 186 CO 0.18 -1.70 -0.06 0.68 -3.72 0.00 0.00 177.10 172.47 3k84 s VAL 187 N -1.84 0.48 0.64 -5.21 -7.23 -1.26 -2.06 120.40 103.92 3k84 s VAL 187 Ca 0.74 -1.45 -0.17 0.00 -1.81 0.00 0.00 61.98 59.29 3k84 s VAL 187 Cb -0.27 -1.05 -0.01 0.00 0.56 0.00 0.00 36.38 35.60 3k84 s VAL 187 CO 0.37 -0.66 1.17 -2.16 -0.31 0.00 0.00 175.10 173.51 3k84 s PRO 188 N -2.67 2.78 -0.09 4.82 0.04 -1.26 -4.22 135.00 134.40 3k84 s PRO 188 Ca -0.01 1.66 -0.36 0.00 0.04 0.00 0.00 61.00 62.33 3k84 s PRO 188 Cb -0.02 -1.92 -0.14 0.00 0.04 0.00 0.00 34.50 32.46 3k84 s PRO 188 CO -0.03 -1.32 1.75 0.94 0.04 0.00 0.00 177.00 178.39 3k84 n GLN 189 N -2.04 1.81 0.00 4.56 7.27 -0.51 -0.57 117.38 127.89 3k84 n GLN 189 Ca 0.12 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.85 3k84 n GLN 189 Cb 0.51 -2.43 0.00 0.00 2.41 0.00 0.00 30.24 30.72 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 5.48 0.00 0.00 1.69 3.41 0.14 -4.15 113.62 120.19 3k84 n SER 190 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3k84 n SER 190 Cb 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 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 -2.31 4.33 2.81 0.26 -4.71 117.12 115.50 3k84 n MET 191 Ca 0.00 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.47 3k84 n MET 191 Cb 0.00 -2.86 0.00 0.00 -0.71 0.00 0.00 33.22 29.66 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 2.78 -3.61 2.03 -0.00 -1.26 -4.56 117.46 110.84 3k84 n PHE 192 Ca 0.00 -2.77 -0.07 0.00 -0.00 0.00 0.00 57.45 54.60 3k84 n PHE 192 Cb 0.00 -1.85 -0.05 0.00 -0.00 0.00 0.00 39.48 37.57 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 0.49 -0.27 -0.25 -2.13 0.15 -1.26 -5.02 113.70 105.40 3k84 s SER 193 Ca 0.42 0.35 0.13 0.00 0.70 0.00 0.00 55.95 57.55 3k84 s SER 193 Cb 0.11 0.30 0.61 0.00 -1.71 0.00 0.00 66.02 65.33 3k84 s SER 193 CO -0.01 -0.21 1.57 0.00 1.20 0.00 0.00 173.24 175.79 3k84 n TYR 194 N 0.98 1.51 -2.44 3.44 0.18 -1.26 -2.37 117.16 117.19 3k84 n TYR 194 Ca -0.08 -1.14 0.00 0.00 1.88 0.00 0.00 57.90 58.56 3k84 n TYR 194 Cb 0.58 -0.48 0.00 0.00 -0.38 0.00 0.00 39.34 39.05 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 -0.51 0.25 -2.78 9.48 4.64 -1.26 -2.52 116.55 123.85 3k84 n ASP 195 Ca 0.31 -0.32 -0.10 0.00 -1.38 0.00 0.00 54.79 53.30 3k84 n ASP 195 Cb 1.10 0.00 0.07 0.00 -1.04 0.00 0.00 41.12 41.25 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 -1.60 2.14 0.05 0.00 0.15 -1.26 -0.96 113.70 112.22 3k84 s SER 197 Ca 0.25 -0.49 -0.00 0.00 0.70 0.00 0.00 55.95 56.41 3k84 s SER 197 Cb 0.35 -0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 3k84 s SER 197 CO -0.06 0.11 -0.04 0.54 1.20 0.00 0.00 173.24 175.00 3k84 s ASN 198 N -1.15 0.57 0.35 5.45 2.20 -0.95 -1.43 114.94 119.97 3k84 s ASN 198 Ca 0.05 -0.89 0.25 0.00 -0.94 0.00 0.00 52.86 51.33 3k84 s ASN 198 Cb -0.08 0.16 1.25 0.00 -2.00 0.00 0.00 41.25 40.57 3k84 s ASN 198 CO 0.02 -0.51 1.76 -0.65 -2.94 0.00 0.00 177.10 174.78 3k84 h PRO 199 N 3.45 0.00 0.00 3.55 0.11 -1.88 -0.44 132.00 136.78 3k84 h PRO 199 Ca -0.34 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.72 3k84 h PRO 199 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3k84 h PRO 199 CO 0.60 0.00 -0.57 -0.07 -0.21 0.00 0.00 178.00 177.75 3k84 h LEU 200 N 0.00 0.00 0.00 2.35 3.38 -1.92 -3.42 115.31 115.70 3k84 h LEU 200 Ca 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3k84 h LEU 200 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3k84 h LEU 200 CO 0.00 0.91 -0.94 0.49 0.09 0.00 0.00 178.44 178.99 3k84 n PHE 201 N -4.60 0.00 -2.50 1.13 3.01 -1.25 -4.31 117.46 108.95 3k84 n PHE 201 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.34 3k84 n PHE 201 Cb 0.33 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 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 1.45 -0.79 3.55 1.37 0.00 -0.17 -4.95 105.19 105.64 3k84 n GLY 202 Ca 0.03 -1.45 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 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 3.80 0.00 1.61 0.74 -1.26 -2.23 119.66 122.31 3k84 s GLN 203 Ca 0.00 -0.44 -0.18 0.00 0.05 0.00 0.00 55.36 54.79 3k84 s GLN 203 Cb 0.00 -3.08 -0.06 0.00 1.10 0.00 0.00 33.01 30.98 3k84 s GLN 203 CO 0.00 0.22 0.52 0.99 -0.55 0.00 0.00 175.29 176.47 3k84 s THR 204 N 0.47 4.93 0.13 -0.34 2.01 -0.14 -4.68 115.64 118.03 3k84 s THR 204 Ca -0.00 1.08 0.06 0.00 0.31 0.00 0.00 61.69 63.15 3k84 s THR 204 Cb -0.13 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3k84 s THR 204 CO 0.02 0.49 -0.02 -0.04 -0.69 0.00 0.00 174.62 174.37 3k84 s MET 205 N -0.56 2.39 0.08 4.92 1.00 -0.53 -4.40 119.30 122.20 3k84 s MET 205 Ca 0.28 -1.01 -0.31 0.00 0.00 0.00 0.00 55.69 54.65 3k84 s MET 205 Cb -0.18 -2.40 -0.07 0.00 0.00 0.00 0.00 34.83 32.18 3k84 s MET 205 CO 0.16 0.49 1.39 1.21 0.00 0.00 0.00 175.02 178.26 3k84 s ASN 206 N -2.60 6.84 0.52 3.03 3.84 -0.66 -4.62 114.94 121.29 3k84 s ASN 206 Ca 0.26 2.25 0.35 0.00 0.21 0.00 0.00 52.86 55.93 3k84 s ASN 206 Cb -0.10 -2.58 1.74 0.00 -0.55 0.00 0.00 41.25 39.76 3k84 s ASN 206 CO 0.18 -0.66 2.05 1.55 -2.79 0.00 0.00 177.10 177.42 3k84 h PRO 207 N 7.12 0.00 0.00 0.43 0.13 -1.91 -2.79 132.00 134.98 3k84 h PRO 207 Ca -0.41 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 3k84 h PRO 207 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3k84 h PRO 207 CO 0.87 0.00 -0.62 -1.49 -0.23 0.00 0.00 178.00 176.53 3k84 h TRP 208 N 0.00 0.00 -0.95 1.56 4.06 -1.93 -3.46 115.95 115.23 3k84 h TRP 208 Ca 0.00 0.00 0.18 0.00 2.06 0.00 0.00 58.89 61.13 3k84 h TRP 208 Cb 0.16 0.00 -0.26 0.00 -1.00 0.00 0.00 29.16 28.07 3k84 h TRP 208 CO 0.00 0.53 0.33 0.21 -3.56 0.00 0.00 178.44 175.94 3k84 s LYS 209 N -2.95 0.25 0.36 0.49 2.20 -1.05 -5.03 119.74 114.01 3k84 s LYS 209 Ca 0.03 0.58 0.27 0.00 -0.36 0.00 0.00 55.97 56.49 3k84 s LYS 209 Cb 0.08 0.30 1.05 0.00 -1.51 0.00 0.00 37.83 37.74 3k84 s LYS 209 CO 0.76 -0.08 1.80 0.66 -0.36 0.00 0.00 175.35 178.13 3k84 h SER 210 N 7.07 0.00 0.55 1.43 4.64 -1.89 -0.92 113.55 124.43 3k84 h SER 210 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3k84 h SER 210 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3k84 h SER 210 CO 0.10 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.52 3k84 n SER 211 N -2.58 0.00 -4.85 4.97 3.41 -1.26 -4.63 113.62 108.68 3k84 n SER 211 Ca 0.02 -0.09 -0.28 0.00 -0.26 0.00 0.00 58.87 58.26 3k84 n SER 211 Cb 0.30 -0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 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 -2.59 3.14 0.35 4.33 -0.14 -0.35 -1.93 119.74 122.55 3k84 s LYS 212 Ca 0.26 -0.66 -0.26 0.00 -1.36 0.00 0.00 55.97 53.95 3k84 s LYS 212 Cb 0.19 -2.83 -0.09 0.00 -1.68 0.00 0.00 37.83 33.42 3k84 s LYS 212 CO 0.43 0.54 1.09 0.45 -0.76 0.00 0.00 175.35 177.10 3k84 s SER 213 N -2.80 6.94 0.00 2.83 0.15 0.46 -1.65 113.70 119.64 3k84 s SER 213 Ca 0.32 2.18 0.28 0.00 0.70 0.00 0.00 55.95 59.43 3k84 s SER 213 Cb -0.12 -2.61 1.70 0.00 -1.71 0.00 0.00 66.02 63.29 3k84 s SER 213 CO 0.25 -0.37 2.07 -0.81 1.20 0.00 0.00 173.24 175.59 3k84 n PRO 214 N 0.49 0.96 0.00 5.44 -0.04 -1.26 -4.48 135.00 136.11 3k84 n PRO 214 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 3k84 n PRO 214 Cb 0.47 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.89 -1.99 0.00 0.55 0.00 -1.26 -4.16 105.19 99.23 3k84 n GLY 215 Ca 0.21 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 -2.09 0.14 -0.02 0.00 -1.05 -3.91 105.19 98.27 3k84 n GLY 216 Ca 0.00 -1.18 0.13 0.00 0.00 0.00 0.00 46.02 44.96 3k84 n GLY 216 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k84 h SER 217 N 0.00 0.00 -0.75 1.61 4.64 -1.50 -3.37 113.55 114.18 3k84 h SER 217 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3k84 h SER 217 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 3k84 h SER 217 CO 0.00 0.00 1.04 -1.20 -0.87 0.00 0.00 176.83 175.80 3k84 n SER 218 N -2.32 6.80 0.05 4.97 7.64 -0.83 -4.20 113.62 125.73 3k84 n SER 218 Ca 0.03 -2.97 -0.13 0.00 1.01 0.00 0.00 58.87 56.80 3k84 n SER 218 Cb 0.27 -1.34 -0.02 0.00 -1.01 0.00 0.00 64.21 62.11 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 4.85 0.54 1.05 0.23 0.00 -1.69 -2.79 103.07 105.26 3k84 h GLY 219 Ca 0.47 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3k84 h GLY 219 CO 0.97 0.74 0.51 -1.33 0.00 0.00 0.00 176.54 177.43 3k84 h GLY 220 N 1.10 1.33 0.95 4.60 0.00 -1.68 0.21 103.07 109.58 3k84 h GLY 220 Ca -0.06 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 3k84 h GLY 220 CO 0.15 0.57 0.11 0.83 0.00 0.00 0.00 176.54 178.19 3k84 h GLU 221 N 1.25 0.26 -0.12 4.80 4.39 -1.79 -0.17 114.58 123.20 3k84 h GLU 221 Ca 0.32 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.03 3k84 h GLU 221 Cb 0.00 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 3k84 h GLU 221 CO -0.05 0.25 -0.20 0.78 -1.16 0.00 0.00 179.01 178.62 3k84 h GLY 222 N 0.21 -0.19 0.98 -3.84 0.00 -1.18 0.08 103.07 99.14 3k84 h GLY 222 Ca 0.07 0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 3k84 h GLY 222 CO -0.01 -0.18 0.27 0.00 0.00 0.00 0.00 176.54 176.62 3k84 h ALA 223 N 0.73 0.65 -0.04 3.60 0.00 -0.95 0.40 119.26 123.65 3k84 h ALA 223 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3k84 h ALA 223 Cb 0.40 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3k84 h ALA 223 CO -0.27 0.18 -0.03 1.25 0.00 0.00 0.00 179.25 180.38 3k84 h LEU 224 N 0.68 0.10 -0.34 0.00 5.85 -0.84 -2.88 115.31 117.88 3k84 h LEU 224 Ca 0.18 -0.43 -0.12 0.00 0.84 0.00 0.00 57.88 58.35 3k84 h LEU 224 Cb 0.07 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3k84 h LEU 224 CO -0.03 0.51 -0.25 0.40 -0.34 0.00 0.00 178.44 178.73 3k84 h ILE 225 N -0.31 1.29 0.00 4.05 2.04 -1.03 0.14 117.51 123.69 3k84 h ILE 225 Ca 0.01 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.46 3k84 h ILE 225 Cb 0.48 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 3k84 h ILE 225 CO 0.01 0.46 0.00 0.61 0.00 0.00 0.00 178.15 179.23 3k84 n GLY 226 N 0.06 -1.05 0.45 5.37 0.00 0.13 -2.08 105.19 108.07 3k84 n GLY 226 Ca -0.03 0.14 0.04 0.00 0.00 0.00 0.00 46.02 46.17 3k84 n GLY 226 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k84 n SER 227 N -2.21 2.49 0.00 1.61 3.41 -1.09 -4.99 113.62 112.85 3k84 n SER 227 Ca 0.00 -1.87 0.00 0.00 -0.26 0.00 0.00 58.87 56.74 3k84 n SER 227 Cb 0.13 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 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 0.29 0.76 0.06 5.00 0.00 -0.88 -4.98 105.19 105.45 3k84 n GLY 228 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.18 -1.11 3.45 -0.02 0.00 0.47 -4.80 105.19 100.99 3k84 n GLY 229 Ca 0.00 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.58 -0.63 0.21 1.61 0.15 -1.23 -4.12 113.70 107.11 3k84 s SER 230 Ca 0.26 1.13 0.26 0.00 0.70 0.00 0.00 55.95 58.30 3k84 s SER 230 Cb 0.20 1.10 0.73 0.00 -1.71 0.00 0.00 66.02 66.33 3k84 s SER 230 CO 0.49 -0.20 1.71 1.55 1.20 0.00 0.00 173.24 177.99 3k84 h PRO 231 N 5.95 0.00 -1.81 5.44 0.13 -1.87 -3.40 132.00 136.43 3k84 h PRO 231 Ca -0.30 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.83 3k84 h PRO 231 Cb 1.18 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.09 3k84 h PRO 231 CO 0.19 0.00 0.30 -1.17 -0.23 0.00 0.00 178.00 177.08 3k84 s LEU 232 N -4.58 -0.59 0.21 1.56 2.96 -1.26 -4.37 118.68 112.61 3k84 s LEU 232 Ca 0.10 1.03 -0.12 0.00 -0.22 0.00 0.00 54.13 54.92 3k84 s LEU 232 Cb 0.12 2.21 -0.00 0.00 0.50 0.00 0.00 46.19 49.01 3k84 s LEU 232 CO 0.62 -0.28 0.41 -0.83 -1.32 0.00 0.00 176.35 174.95 3k84 s GLY 233 N -0.06 0.48 -0.05 7.98 0.00 -0.54 -1.46 107.32 113.68 3k84 s GLY 233 Ca -0.01 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 43.95 3k84 s GLY 233 CO -0.00 -0.68 -0.24 1.08 0.00 0.00 0.00 173.10 173.26 3k84 s LEU 234 N -2.99 2.14 0.00 0.66 1.43 -0.88 -0.97 118.68 118.07 3k84 s LEU 234 Ca 0.20 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3k84 s LEU 234 Cb 0.01 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.83 3k84 s LEU 234 CO 0.05 0.28 0.15 0.61 0.23 0.00 0.00 176.35 177.67 3k84 n GLY 235 N 2.73 3.21 3.28 -3.19 0.00 -0.58 -2.12 105.19 108.52 3k84 n GLY 235 Ca -0.17 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.60 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 -3.11 0.76 -0.28 2.61 -4.23 -1.26 -1.89 115.64 108.23 3k84 s THR 236 Ca 0.22 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.67 3k84 s THR 236 Cb 0.01 -2.26 0.14 0.00 1.34 0.00 0.00 72.50 71.74 3k84 s THR 236 CO 0.15 -0.36 0.57 -0.62 -0.54 0.00 0.00 174.62 173.82 3k84 s ASP 237 N -3.23 -0.94 -0.00 3.99 3.68 0.06 -2.72 116.67 117.51 3k84 s ASP 237 Ca 0.27 1.11 0.03 0.00 2.13 0.00 0.00 52.55 56.09 3k84 s ASP 237 Cb 0.06 1.98 -0.04 0.00 -1.45 0.00 0.00 42.92 43.47 3k84 s ASP 237 CO 0.07 -0.24 0.06 0.00 0.13 0.00 0.00 175.17 175.19 3k84 n ILE 238 N 5.42 0.00 -1.26 4.11 3.06 -1.26 -1.40 119.36 128.04 3k84 n ILE 238 Ca -0.07 -0.07 0.00 0.00 -2.50 0.00 0.00 62.75 60.12 3k84 n ILE 238 Cb 0.50 0.44 0.00 0.00 0.54 0.00 0.00 39.64 41.12 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 2.33 -2.02 0.00 4.50 0.00 -1.26 -4.77 105.19 103.97 3k84 n GLY 239 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.17 0.05 -0.02 0.00 -1.26 -3.16 105.19 100.63 3k84 n GLY 240 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.23 0.03 1.61 7.64 -1.26 0.19 113.62 122.06 3k84 n SER 241 Ca 0.00 0.57 -0.22 0.00 1.01 0.00 0.00 58.87 60.22 3k84 n SER 241 Cb 0.00 -0.61 -0.14 0.00 -1.01 0.00 0.00 64.21 62.45 3k84 n SER 241 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 3k84 h ILE 242 N 0.00 0.80 0.25 0.44 2.04 -1.78 -2.19 117.51 117.07 3k84 h ILE 242 Ca 0.00 -2.41 -0.33 0.00 1.00 0.00 0.00 64.86 63.12 3k84 h ILE 242 Cb 0.24 2.63 0.04 0.00 -0.74 0.00 0.00 36.82 38.99 3k84 h ILE 242 CO 0.00 0.85 -1.47 0.03 0.00 0.00 0.00 178.15 177.56 3k84 h ARG 243 N 0.01 0.54 0.34 2.37 3.08 -0.60 -2.81 114.38 117.31 3k84 h ARG 243 Ca -0.38 -0.91 -0.00 0.00 0.07 0.00 0.00 59.98 58.76 3k84 h ARG 243 Cb 2.01 0.34 -0.03 0.00 0.08 0.00 0.00 29.97 32.37 3k84 h ARG 243 CO 0.11 1.44 -0.37 0.74 -1.07 0.00 0.00 179.97 180.82 3k84 h PHE 244 N 0.13 -1.02 -0.05 3.04 0.04 -0.52 -0.94 116.94 117.61 3k84 h PHE 244 Ca -0.26 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.46 3k84 h PHE 244 Cb 2.15 0.40 -0.01 0.00 2.20 0.00 0.00 35.95 40.70 3k84 h PHE 244 CO 0.13 -0.52 -0.27 -1.00 -0.60 0.00 0.00 178.31 176.06 3k84 h PRO 245 N -0.75 0.09 -0.24 1.51 0.13 -1.72 0.17 132.00 131.19 3k84 h PRO 245 Ca -0.02 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.06 3k84 h PRO 245 Cb 0.69 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 3k84 h PRO 245 CO -0.08 0.36 0.09 0.77 -0.23 0.00 0.00 178.00 178.90 3k84 h SER 246 N 0.09 0.34 -0.09 1.44 0.02 -1.35 -1.48 113.55 112.52 3k84 h SER 246 Ca 0.01 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3k84 h SER 246 Cb 0.52 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 3k84 h SER 246 CO 0.04 0.43 0.00 0.00 -1.14 0.00 0.00 176.83 176.16 3k84 h ALA 247 N 0.92 0.12 -0.30 3.77 0.00 -0.94 0.32 119.26 123.15 3k84 h ALA 247 Ca 0.08 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3k84 h ALA 247 Cb 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3k84 h ALA 247 CO -0.00 -0.21 -0.07 0.74 0.00 0.00 0.00 179.25 179.70 3k84 h PHE 248 N -0.12 0.50 -0.03 0.00 -1.00 -0.95 -2.77 116.94 112.57 3k84 h PHE 248 Ca 0.03 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.74 3k84 h PHE 248 Cb 0.33 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.75 3k84 h PHE 248 CO 0.03 0.55 -0.02 0.00 -1.61 0.00 0.00 178.31 177.26 3k84 n GLY 250 N 1.31 0.59 3.62 0.00 0.00 -0.13 -4.65 105.19 105.93 3k84 n GLY 250 Ca 0.13 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.02 0.92 -0.08 -0.61 -4.36 0.95 -4.84 121.20 110.17 3k84 s ILE 251 Ca 0.12 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.45 3k84 s ILE 251 Cb -0.05 -2.32 -0.04 0.00 1.25 0.00 0.00 42.46 41.29 3k84 s ILE 251 CO 0.15 0.00 0.18 0.00 0.24 0.00 0.00 174.94 175.51 3k84 s GLY 253 N -1.27 -0.15 -0.11 0.00 0.00 -1.10 -0.71 107.32 103.98 3k84 s GLY 253 Ca 0.19 0.38 0.02 0.00 0.00 0.00 0.00 44.72 45.31 3k84 s GLY 253 CO 0.09 0.19 -0.18 -2.27 0.00 0.00 0.00 173.10 170.93 3k84 s LEU 254 N -1.12 1.85 -0.54 0.66 2.96 -0.53 -1.41 118.68 120.55 3k84 s LEU 254 Ca -0.12 -0.48 -0.16 0.00 -0.22 0.00 0.00 54.13 53.15 3k84 s LEU 254 Cb -0.05 -1.20 0.12 0.00 0.50 0.00 0.00 46.19 45.56 3k84 s LEU 254 CO 0.04 0.05 0.52 -0.75 -1.32 0.00 0.00 176.35 174.88 3k84 s LYS 255 N 0.86 3.00 1.06 1.98 2.20 0.37 -3.63 119.74 125.58 3k84 s LYS 255 Ca -0.08 -1.62 -0.16 0.00 -0.36 0.00 0.00 55.97 53.75 3k84 s LYS 255 Cb -0.15 -4.28 0.22 0.00 -1.51 0.00 0.00 37.83 32.11 3k84 s LYS 255 CO -0.00 -1.33 1.14 -2.14 -0.36 0.00 0.00 175.35 172.66 3k84 s PRO 256 N 1.75 -0.10 0.34 4.03 0.02 -1.26 -0.96 135.00 138.81 3k84 s PRO 256 Ca 0.04 0.11 -0.26 0.00 0.02 0.00 0.00 61.00 60.91 3k84 s PRO 256 Cb -0.29 -1.71 -0.13 0.00 0.02 0.00 0.00 34.50 32.39 3k84 s PRO 256 CO 0.04 -3.00 0.92 2.41 -0.33 0.00 0.00 177.00 177.04 3k84 n THR 257 N -4.29 2.09 -0.30 0.99 -1.04 -1.26 -4.65 114.28 105.82 3k84 n THR 257 Ca 0.10 -0.50 0.08 0.00 -2.04 0.00 0.00 64.05 61.68 3k84 n THR 257 Cb 0.59 -0.93 0.23 0.00 -1.82 0.00 0.00 70.33 68.40 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 1.64 1.41 -2.86 3.41 0.00 -1.86 -2.19 103.07 102.61 3k84 h GLY 258 Ca -0.41 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 46.52 3k84 h GLY 258 CO 0.58 -0.04 0.13 -2.01 0.00 0.00 0.00 176.54 175.20 3k84 n ASN 259 N -4.87 4.27 0.06 0.19 5.15 -1.26 -4.35 115.26 114.46 3k84 n ASN 259 Ca 0.17 -3.24 -0.08 0.00 -0.60 0.00 0.00 54.58 50.83 3k84 n ASN 259 Cb 0.45 -0.67 0.06 0.00 -0.53 0.00 0.00 39.78 39.09 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 2.25 0.36 -6.29 1.20 9.65 -1.75 -3.37 114.38 116.41 3k84 h ARG 260 Ca 0.18 -0.27 -0.61 0.00 -1.10 0.00 0.00 59.98 58.18 3k84 h ARG 260 Cb 1.98 0.05 -0.16 0.00 -1.39 0.00 0.00 29.97 30.45 3k84 h ARG 260 CO 0.54 0.89 -0.79 -0.51 2.80 0.00 0.00 179.97 182.91 3k84 s LEU 261 N -7.97 2.51 -0.02 3.80 1.43 -1.26 -4.85 118.68 112.31 3k84 s LEU 261 Ca -0.05 -0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 51.80 3k84 s LEU 261 Cb 0.11 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 3k84 s LEU 261 CO 0.82 0.05 1.15 -0.55 0.23 0.00 0.00 176.35 178.05 3k84 s SER 262 N -3.06 7.12 -0.08 2.29 0.15 -1.26 -4.92 113.70 113.94 3k84 s SER 262 Ca 0.24 1.83 0.19 0.00 0.70 0.00 0.00 55.95 58.91 3k84 s SER 262 Cb -0.06 -2.57 0.69 0.00 -1.71 0.00 0.00 66.02 62.37 3k84 s SER 262 CO 0.11 -0.49 1.59 0.29 1.20 0.00 0.00 173.24 175.94 3k84 n LYS 263 N 4.61 3.39 -2.16 5.44 5.02 -1.26 -4.58 118.16 128.62 3k84 n LYS 263 Ca 0.09 -2.73 -0.42 0.00 -2.02 0.00 0.00 58.31 53.23 3k84 n LYS 263 Cb 0.47 -1.79 -0.03 0.00 -0.02 0.00 0.00 35.03 33.66 3k84 n LYS 263 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3k84 s SER 264 N -0.91 6.78 0.00 4.39 0.15 -1.26 -2.40 113.70 120.45 3k84 s SER 264 Ca 0.49 2.10 0.00 0.00 0.70 0.00 0.00 55.95 59.25 3k84 s SER 264 Cb 0.30 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 3k84 s SER 264 CO 0.26 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.50 3k84 n GLY 265 N 3.85 0.74 3.70 9.45 0.00 -1.26 -1.94 105.19 119.73 3k84 n GLY 265 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 4.33 -0.02 0.99 1.02 -1.01 -3.03 118.68 120.97 3k84 s LEU 266 Ca 0.00 1.64 -0.30 0.00 0.02 0.00 0.00 54.13 55.49 3k84 s LEU 266 Cb 0.00 -3.57 -0.03 0.00 0.02 0.00 0.00 46.19 42.61 3k84 s LEU 266 CO 0.00 -0.34 1.05 -0.75 0.02 0.00 0.00 176.35 176.33 3k84 s LYS 267 N 1.37 4.49 0.38 1.70 2.47 0.52 -4.98 119.74 125.68 3k84 s LYS 267 Ca 0.51 1.50 0.04 0.00 -1.56 0.00 0.00 55.97 56.47 3k84 s LYS 267 Cb -0.21 -3.47 -0.03 0.00 -1.46 0.00 0.00 37.83 32.67 3k84 s LYS 267 CO 0.25 -0.19 0.14 0.20 0.16 0.00 0.00 175.35 175.91 3k84 s GLY 268 N 1.09 2.47 0.00 5.54 0.00 -1.26 -4.80 107.32 110.36 3k84 s GLY 268 Ca 0.53 -1.44 0.04 0.00 0.00 0.00 0.00 44.72 43.85 3k84 s GLY 268 CO 0.25 -1.76 0.51 0.00 0.00 0.00 0.00 173.10 172.10 3k84 s VAL 270 N -0.51 0.07 0.04 0.00 1.01 -1.26 -4.56 120.40 115.19 3k84 s VAL 270 Ca 0.04 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.18 3k84 s VAL 270 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 3k84 s VAL 270 CO 0.06 0.09 -0.19 -0.31 0.00 0.00 0.00 175.10 174.75 3k84 s TYR 271 N 0.76 1.70 0.00 5.22 2.02 -1.26 -4.76 117.35 121.03 3k84 s TYR 271 Ca -0.07 -0.37 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 3k84 s TYR 271 Cb -0.10 -1.01 0.00 0.00 -0.40 0.00 0.00 41.96 40.45 3k84 s TYR 271 CO -0.02 0.08 0.00 0.41 -1.57 0.00 0.00 175.55 174.45 3k84 n GLY 272 N 1.86 0.84 3.60 0.71 0.00 -1.26 -5.02 105.19 105.92 3k84 n GLY 272 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.29 3.76 0.00 1.61 -0.44 -1.26 -4.89 119.66 118.15 3k84 s GLN 273 Ca 0.00 0.51 0.01 0.00 -2.50 0.00 0.00 55.36 53.38 3k84 s GLN 273 Cb 0.00 -3.85 0.01 0.00 -1.64 0.00 0.00 33.01 27.53 3k84 s GLN 273 CO 0.00 -1.10 0.43 0.25 0.50 0.00 0.00 175.29 175.38 3k84 n THR 274 N 6.24 0.00 -0.08 -0.34 -2.24 -1.26 -4.71 114.28 111.89 3k84 n THR 274 Ca 0.08 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 3k84 n THR 274 Cb 0.48 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.69 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 0.24 0.32 -3.44 6.98 0.00 -1.90 -3.37 119.26 118.09 3k84 h ALA 275 Ca 0.00 -0.20 -0.68 0.00 0.00 0.00 0.00 54.91 54.03 3k84 h ALA 275 Cb 0.05 -0.09 -0.35 0.00 0.00 0.00 0.00 17.79 17.40 3k84 h ALA 275 CO 0.00 0.03 -0.66 0.08 0.00 0.00 0.00 179.25 178.70 3k84 s VAL 276 N -5.05 2.87 0.32 0.00 1.01 -1.26 -4.95 120.40 113.34 3k84 s VAL 276 Ca -0.14 -1.89 -0.20 0.00 0.00 0.00 0.00 61.98 59.75 3k84 s VAL 276 Cb 0.07 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.48 3k84 s VAL 276 CO 0.74 -0.44 0.83 -1.10 0.00 0.00 0.00 175.10 175.13 3k84 s GLN 277 N 1.12 4.27 0.44 2.72 -0.21 -1.26 -4.98 119.66 121.75 3k84 s GLN 277 Ca 0.03 0.99 -0.18 0.00 0.02 0.00 0.00 55.36 56.23 3k84 s GLN 277 Cb -0.21 -2.59 -0.09 0.00 1.00 0.00 0.00 33.01 31.12 3k84 s GLN 277 CO -0.04 0.21 0.92 -1.17 -2.12 0.00 0.00 175.29 173.08 3k84 s LEU 278 N -2.52 3.83 0.05 2.90 2.96 -1.26 -4.73 118.68 119.91 3k84 s LEU 278 Ca 0.52 1.54 -0.00 0.00 -0.22 0.00 0.00 54.13 55.96 3k84 s LEU 278 Cb -0.14 -4.41 -0.03 0.00 0.50 0.00 0.00 46.19 42.10 3k84 s LEU 278 CO 0.19 -0.42 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.21 3k84 s SER 279 N -2.61 0.51 0.13 3.68 0.15 -0.49 -4.57 113.70 110.50 3k84 s SER 279 Ca 0.59 -0.85 0.07 0.00 0.70 0.00 0.00 55.95 56.46 3k84 s SER 279 Cb -0.10 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.33 3k84 s SER 279 CO 0.22 -0.49 -0.17 -1.48 1.20 0.00 0.00 173.24 172.52 3k84 s LEU 280 N -2.50 2.40 -0.02 3.45 0.05 -1.26 -0.76 118.68 120.03 3k84 s LEU 280 Ca 0.01 -0.80 -0.30 0.00 0.05 0.00 0.00 54.13 53.08 3k84 s LEU 280 Cb 0.02 -0.71 0.12 0.00 -2.05 0.00 0.00 46.19 43.58 3k84 s LEU 280 CO -0.07 -0.07 1.30 -0.83 -0.55 0.00 0.00 176.35 176.13 3k84 s GLY 281 N -2.42 -0.40 0.42 -3.48 0.00 -0.80 -4.27 107.32 96.38 3k84 s GLY 281 Ca 0.11 0.66 -0.19 0.00 0.00 0.00 0.00 44.72 45.30 3k84 s GLY 281 CO 0.05 0.59 0.91 2.56 0.00 0.00 0.00 173.10 177.21 3k84 s PRO 282 N -2.36 4.11 0.01 2.90 0.04 -1.24 -1.53 135.00 136.94 3k84 s PRO 282 Ca 0.15 0.97 0.04 0.00 0.04 0.00 0.00 61.00 62.21 3k84 s PRO 282 Cb 0.05 -2.23 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 3k84 s PRO 282 CO -0.04 -0.04 -0.14 -1.64 0.04 0.00 0.00 177.00 175.18 3k84 s MET 283 N -3.34 1.02 0.12 4.56 -1.94 -0.14 -1.45 119.30 118.13 3k84 s MET 283 Ca 0.59 -0.59 -0.24 0.00 -1.71 0.00 0.00 55.69 53.74 3k84 s MET 283 Cb -0.09 -1.01 0.08 0.00 2.01 0.00 0.00 34.83 35.82 3k84 s MET 283 CO 0.18 0.27 1.12 0.00 -0.01 0.00 0.00 175.02 176.57 3k84 s ALA 284 N -0.53 -1.87 -0.54 3.03 0.00 0.11 -1.46 121.76 120.51 3k84 s ALA 284 Ca 0.04 -0.23 0.24 0.00 0.00 0.00 0.00 51.96 52.01 3k84 s ALA 284 Cb -0.06 0.80 0.50 0.00 0.00 0.00 0.00 23.12 24.36 3k84 s ALA 284 CO 0.00 -1.09 1.67 0.00 0.00 0.00 0.00 175.76 176.34 3k84 h ARG 285 N 2.00 0.00 -3.87 0.00 3.08 -1.83 0.18 114.38 113.93 3k84 h ARG 285 Ca -0.26 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.69 3k84 h ARG 285 Cb 1.21 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.12 3k84 h ARG 285 CO 0.35 0.00 -0.36 0.16 -1.07 0.00 0.00 179.97 179.04 3k84 s ASP 286 N -5.64 0.10 0.26 7.04 3.84 -1.26 -4.56 116.67 116.44 3k84 s ASP 286 Ca 0.08 -0.77 -0.03 0.00 -0.00 0.00 0.00 52.55 51.83 3k84 s ASP 286 Cb 0.07 0.38 0.33 0.00 -1.38 0.00 0.00 42.92 42.32 3k84 s ASP 286 CO 0.65 -0.80 1.82 0.58 -0.00 0.00 0.00 175.17 177.42 3k84 h VAL 287 N 2.67 1.24 -0.90 2.11 2.07 -1.93 -2.97 116.25 118.53 3k84 h VAL 287 Ca -0.33 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 66.46 3k84 h VAL 287 Cb 1.21 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 3k84 h VAL 287 CO 0.53 0.31 0.59 -0.08 0.02 0.00 0.00 177.57 178.93 3k84 h GLU 288 N 0.94 1.02 -0.89 1.57 4.57 -1.96 -1.02 114.58 118.82 3k84 h GLU 288 Ca 0.21 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3k84 h GLU 288 Cb 0.24 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 3k84 h GLU 288 CO -0.01 0.68 0.54 0.77 -1.18 0.00 0.00 179.01 179.81 3k84 h SER 289 N 1.05 1.06 -0.45 1.04 0.02 -1.93 0.04 113.55 114.39 3k84 h SER 289 Ca 0.38 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.24 3k84 h SER 289 Cb 0.15 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 3k84 h SER 289 CO -0.13 0.81 0.18 -0.07 -1.14 0.00 0.00 176.83 176.48 3k84 h LEU 290 N 1.23 0.62 -0.31 5.07 3.38 -1.22 -1.18 115.31 122.90 3k84 h LEU 290 Ca 0.32 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3k84 h LEU 290 Cb -0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3k84 h LEU 290 CO -0.06 0.62 0.15 0.00 0.09 0.00 0.00 178.44 179.23 3k84 h ALA 291 N 1.03 0.40 -0.48 1.53 0.00 -0.92 -1.35 119.26 119.47 3k84 h ALA 291 Ca 0.15 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3k84 h ALA 291 Cb 0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3k84 h ALA 291 CO -0.01 -0.04 0.29 1.25 0.00 0.00 0.00 179.25 180.74 3k84 h LEU 292 N 0.36 0.49 -0.50 0.00 5.85 -0.96 -0.59 115.31 119.96 3k84 h LEU 292 Ca 0.11 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3k84 h LEU 292 Cb 0.12 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3k84 h LEU 292 CO -0.01 0.35 0.31 0.00 -0.34 0.00 0.00 178.44 178.75 3k84 h LEU 294 N 0.62 0.73 -0.45 0.00 5.85 -1.03 -1.15 115.31 119.88 3k84 h LEU 294 Ca 0.20 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3k84 h LEU 294 Cb -0.01 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3k84 h LEU 294 CO -0.08 0.72 0.29 0.50 -0.34 0.00 0.00 178.44 179.53 3k84 h LYS 295 N 0.70 0.60 -0.63 1.25 3.64 -0.74 0.43 116.57 121.83 3k84 h LYS 295 Ca 0.17 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3k84 h LYS 295 Cb 0.23 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3k84 h LYS 295 CO -0.01 0.41 0.19 0.00 -2.27 0.00 0.00 179.45 177.77 3k84 h ALA 296 N 1.15 1.16 0.01 5.00 0.00 -0.83 -3.20 119.26 122.56 3k84 h ALA 296 Ca 0.16 -0.20 -0.26 0.00 0.00 0.00 0.00 54.91 54.61 3k84 h ALA 296 Cb -0.05 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.51 3k84 h ALA 296 CO -0.03 0.58 -1.04 -0.07 0.00 0.00 0.00 179.25 178.69 3k84 h LEU 297 N 0.92 0.84 -5.55 0.00 3.38 -0.91 -3.36 115.31 110.63 3k84 h LEU 297 Ca 0.21 -0.68 -0.70 0.00 0.09 0.00 0.00 57.88 56.80 3k84 h LEU 297 Cb 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3k84 h LEU 297 CO -0.01 1.48 3.40 0.18 0.09 0.00 0.00 178.44 183.58 3k84 n LEU 298 N -3.83 7.77 -4.65 1.67 4.77 0.12 -4.43 117.00 118.42 3k84 n LEU 298 Ca -0.10 -4.29 -0.30 0.00 -0.03 0.00 0.00 56.01 51.29 3k84 n LEU 298 Cb 0.88 -1.60 -0.08 0.00 -2.33 0.00 0.00 43.42 40.30 3k84 n LEU 298 CO 0.55 1.60 -0.23 0.00 -1.33 0.00 0.00 177.39 177.98 3k84 h GLU 300 N 1.56 0.56 -0.24 0.00 4.39 -1.94 -2.56 114.58 116.35 3k84 h GLU 300 Ca -0.40 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.29 3k84 h GLU 300 Cb 1.29 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.77 3k84 h GLU 300 CO 0.67 0.44 -0.15 0.45 -1.16 0.00 0.00 179.01 179.26 3k84 h HIS 301 N 0.56 -0.38 -0.30 4.33 3.86 -1.96 0.16 115.15 121.42 3k84 h HIS 301 Ca 0.14 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 3k84 h HIS 301 Cb 0.07 0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 3k84 h HIS 301 CO 0.00 -0.22 0.15 1.25 0.86 0.00 0.00 177.93 179.98 3k84 h LEU 302 N -0.14 0.39 -1.02 2.43 6.46 -1.71 -0.65 115.31 121.08 3k84 h LEU 302 Ca 0.13 -0.11 -0.10 0.00 -0.12 0.00 0.00 57.88 57.68 3k84 h LEU 302 Cb 0.34 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 3k84 h LEU 302 CO -0.33 0.39 -0.48 -0.26 -0.62 0.00 0.00 178.44 177.14 3k84 h PHE 303 N 0.36 0.00 0.10 1.25 0.04 -1.02 0.49 116.94 118.17 3k84 h PHE 303 Ca 0.11 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.61 3k84 h PHE 303 Cb 0.10 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 3k84 h PHE 303 CO -0.02 0.48 -1.23 1.79 -0.60 0.00 0.00 178.31 178.73 3k84 h THR 304 N 0.00 1.50 0.00 -1.55 1.35 -0.67 -3.10 112.91 110.44 3k84 h THR 304 Ca -0.00 -3.11 -0.13 0.00 -0.55 0.00 0.00 66.41 62.62 3k84 h THR 304 Cb 0.86 2.90 -0.02 0.00 -1.73 0.00 0.00 68.15 70.17 3k84 h THR 304 CO 0.06 0.90 -0.62 -0.07 -0.25 0.00 0.00 175.52 175.54 3k84 h LEU 305 N 0.06 0.00 -6.63 3.87 3.38 -0.62 -3.37 115.31 111.99 3k84 h LEU 305 Ca -0.12 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.25 3k84 h LEU 305 Cb 1.94 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 42.30 3k84 h LEU 305 CO 0.18 0.62 -0.85 -0.62 0.09 0.00 0.00 178.44 177.86 3k84 s ASP 306 N -6.82 2.71 0.50 -0.43 3.68 0.12 -4.98 116.67 111.45 3k84 s ASP 306 Ca -0.01 -2.76 0.28 0.00 2.13 0.00 0.00 52.55 52.19 3k84 s ASP 306 Cb 0.13 -0.66 1.54 0.00 -1.45 0.00 0.00 42.92 42.47 3k84 s ASP 306 CO 0.76 -0.23 1.85 -0.65 0.13 0.00 0.00 175.17 177.03 3k84 h PRO 307 N 6.29 0.00 0.00 4.34 0.11 -1.72 -2.16 132.00 138.86 3k84 h PRO 307 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3k84 h PRO 307 Cb 0.92 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.03 3k84 h PRO 307 CO 0.39 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.97 3k84 h THR 308 N 0.00 0.00 -3.31 -1.15 1.35 -1.94 -3.43 112.91 104.44 3k84 h THR 308 Ca 0.00 -0.49 -0.57 0.00 -0.55 0.00 0.00 66.41 64.79 3k84 h THR 308 Cb 0.29 1.47 -0.06 0.00 -1.73 0.00 0.00 68.15 68.12 3k84 h THR 308 CO 0.00 0.00 0.38 -0.69 -0.25 0.00 0.00 175.52 174.96 3k84 s VAL 309 N -3.63 4.88 0.22 6.82 1.01 -0.82 -5.02 120.40 123.86 3k84 s VAL 309 Ca 0.01 1.66 -0.32 0.00 0.00 0.00 0.00 61.98 63.34 3k84 s VAL 309 Cb 0.09 -4.15 -0.12 0.00 0.00 0.00 0.00 36.38 32.20 3k84 s VAL 309 CO 0.53 0.04 1.69 -0.81 0.00 0.00 0.00 175.10 176.56 3k84 n PRO 310 N 5.07 2.72 -1.45 2.72 -0.04 -1.26 -4.81 135.00 137.95 3k84 n PRO 310 Ca 0.04 0.98 -0.40 0.00 -0.04 0.00 0.00 63.50 64.08 3k84 n PRO 310 Cb 0.49 -2.81 -0.02 0.00 -0.04 0.00 0.00 33.50 31.12 3k84 n PRO 310 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3k84 n PRO 311 N 3.65 2.73 -3.08 0.54 -0.04 -1.26 -4.89 135.00 132.64 3k84 n PRO 311 Ca 0.15 -2.28 -0.43 0.00 -0.04 0.00 0.00 63.50 60.90 3k84 n PRO 311 Cb 0.35 -3.04 -0.06 0.00 -0.04 0.00 0.00 33.50 30.70 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 1.38 4.53 0.69 1.53 1.43 -1.26 -5.05 118.68 121.92 3k84 s LEU 312 Ca 0.53 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 53.07 3k84 s LEU 312 Cb 0.15 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.67 3k84 s LEU 312 CO -0.04 -0.85 1.12 -2.16 0.23 0.00 0.00 176.35 174.64 3k84 s PRO 313 N 2.93 2.61 -0.10 1.29 0.04 -1.26 -4.93 135.00 135.58 3k84 s PRO 313 Ca 0.23 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.36 3k84 s PRO 313 Cb -0.15 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 3k84 s PRO 313 CO 0.18 -1.40 1.78 0.12 0.04 0.00 0.00 177.00 177.72 3k84 s PHE 314 N -2.41 1.76 -0.81 0.56 5.36 -1.26 -4.94 117.98 116.25 3k84 s PHE 314 Ca 0.67 0.17 -0.23 0.00 -0.96 0.00 0.00 56.93 56.58 3k84 s PHE 314 Cb -0.21 -4.01 0.06 0.00 -0.34 0.00 0.00 43.02 38.53 3k84 s PHE 314 CO 0.45 -4.04 1.19 1.03 -1.46 0.00 0.00 175.22 172.39 3k84 s ARG 315 N 4.56 3.32 0.13 10.12 0.52 -1.26 -4.91 118.95 131.44 3k84 s ARG 315 Ca 0.79 -0.88 -0.19 0.00 -0.52 0.00 0.00 55.73 54.92 3k84 s ARG 315 Cb -0.33 -4.57 -0.01 0.00 0.52 0.00 0.00 34.95 30.56 3k84 s ARG 315 CO 0.33 -1.99 1.70 0.93 0.02 0.00 0.00 175.30 176.29 3k84 h GLU 316 N 9.62 0.02 -0.65 3.54 4.39 -1.99 -2.63 114.58 126.88 3k84 h GLU 316 Ca -0.10 -0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.69 3k84 h GLU 316 Cb 1.04 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.65 3k84 h GLU 316 CO 1.25 0.01 0.43 1.05 -1.16 0.00 0.00 179.01 180.59 3k84 h GLU 317 N 0.02 0.48 -0.18 2.33 9.09 -1.96 0.11 114.58 124.47 3k84 h GLU 317 Ca 0.11 -0.03 -0.09 0.00 0.05 0.00 0.00 59.36 59.41 3k84 h GLU 317 Cb 0.16 -0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 27.15 3k84 h GLU 317 CO -0.23 0.32 -0.22 0.28 0.05 0.00 0.00 179.01 179.21 3k84 h VAL 318 N 0.50 1.34 -0.67 -1.06 2.07 -1.86 -2.20 116.25 114.37 3k84 h VAL 318 Ca 0.30 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.39 3k84 h VAL 318 Cb 0.50 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 3k84 h VAL 318 CO -0.09 0.43 0.40 0.22 0.02 0.00 0.00 177.57 178.55 3k84 h TYR 319 N 0.11 0.87 -0.01 1.57 3.20 -1.04 -3.10 116.97 118.58 3k84 h TYR 319 Ca 0.02 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3k84 h TYR 319 Cb 0.79 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3k84 h TYR 319 CO 0.09 0.58 -0.26 0.54 -1.64 0.00 0.00 178.16 177.47 3k84 n ARG 320 N -4.40 0.68 -1.66 1.82 5.12 0.30 -4.24 116.66 114.27 3k84 n ARG 320 Ca 0.07 -0.37 -0.40 0.00 -1.93 0.00 0.00 57.85 55.22 3k84 n ARG 320 Cb 0.07 -1.49 0.02 0.00 -1.16 0.00 0.00 32.46 29.90 3k84 n ARG 320 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3k84 n SER 321 N -0.84 1.91 -0.12 0.55 2.88 -0.84 -4.93 113.62 112.23 3k84 n SER 321 Ca 0.12 1.03 0.08 0.00 -1.33 0.00 0.00 58.87 58.77 3k84 n SER 321 Cb 0.33 -1.45 0.12 0.00 -0.75 0.00 0.00 64.21 62.47 3k84 n SER 321 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3k84 n SER 322 N 0.05 2.40 -4.78 -3.46 3.41 -1.26 -5.04 113.62 104.93 3k84 n SER 322 Ca 0.09 -2.88 -0.36 0.00 -0.26 0.00 0.00 58.87 55.46 3k84 n SER 322 Cb 0.41 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.53 3.65 0.76 4.33 0.52 -1.26 -4.99 118.95 119.43 3k84 s ARG 323 Ca 0.27 1.61 -0.15 0.00 -0.52 0.00 0.00 55.73 56.95 3k84 s ARG 323 Cb 0.23 -2.21 0.05 0.00 0.52 0.00 0.00 34.95 33.54 3k84 s ARG 323 CO 0.03 -0.61 1.17 -2.30 0.02 0.00 0.00 175.30 173.61 3k84 n PRO 324 N -0.84 0.42 -4.88 3.54 -0.02 -1.26 -5.00 135.00 126.96 3k84 n PRO 324 Ca 0.09 0.21 -0.29 0.00 -2.02 0.00 0.00 63.50 61.50 3k84 n PRO 324 Cb 0.50 -2.41 -0.15 0.00 -0.02 0.00 0.00 33.50 31.42 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 -4.88 2.14 -0.42 2.45 1.43 -1.26 -5.03 118.68 113.12 3k84 s LEU 325 Ca 0.75 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 53.10 3k84 s LEU 325 Cb -0.32 -1.18 0.02 0.00 0.03 0.00 0.00 46.19 44.74 3k84 s LEU 325 CO 0.49 0.23 0.65 -0.13 0.23 0.00 0.00 176.35 177.82 3k84 s ARG 326 N -1.09 3.37 -0.35 1.70 0.52 -1.26 -1.74 118.95 120.09 3k84 s ARG 326 Ca 0.10 -0.27 -0.04 0.00 -0.52 0.00 0.00 55.73 55.00 3k84 s ARG 326 Cb -0.09 -3.92 0.06 0.00 0.52 0.00 0.00 34.95 31.52 3k84 s ARG 326 CO 0.01 -0.96 0.10 0.08 0.02 0.00 0.00 175.30 174.56 3k84 s VAL 327 N 2.82 3.40 0.61 3.52 1.01 0.47 -0.47 120.40 131.76 3k84 s VAL 327 Ca 0.23 -1.49 -0.18 0.00 0.00 0.00 0.00 61.98 60.55 3k84 s VAL 327 Cb -0.14 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3k84 s VAL 327 CO 0.18 -0.31 1.19 -0.83 0.00 0.00 0.00 175.10 175.33 3k84 s GLY 328 N 1.52 2.63 0.02 4.51 0.00 -0.35 -0.42 107.32 115.23 3k84 s GLY 328 Ca -0.00 0.93 -0.19 0.00 0.00 0.00 0.00 44.72 45.46 3k84 s GLY 328 CO -0.00 1.31 0.42 -2.52 0.00 0.00 0.00 173.10 172.30 3k84 s TYR 329 N -1.73 -0.28 0.01 1.90 -0.85 -0.09 -0.21 117.35 116.09 3k84 s TYR 329 Ca 0.75 0.32 -0.02 0.00 -0.52 0.00 0.00 57.07 57.61 3k84 s TYR 329 Cb -0.28 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.25 3k84 s TYR 329 CO 0.34 -0.54 0.01 1.52 -1.52 0.00 0.00 175.55 175.37 3k84 s TYR 330 N -2.12 0.18 -0.55 -3.49 1.13 -1.01 -1.19 117.35 110.30 3k84 s TYR 330 Ca -0.08 -0.37 0.22 0.00 -1.41 0.00 0.00 57.07 55.43 3k84 s TYR 330 Cb -0.02 -0.14 -0.15 0.00 -1.10 0.00 0.00 41.96 40.56 3k84 s TYR 330 CO 0.00 -0.19 0.83 0.39 -2.51 0.00 0.00 175.55 174.07 3k84 n GLU 331 N 1.76 0.32 -3.69 -3.49 1.02 -1.26 -3.83 120.64 111.46 3k84 n GLU 331 Ca -0.22 -0.06 -0.14 0.00 -0.02 0.00 0.00 57.16 56.72 3k84 n GLU 331 Cb 0.56 -1.55 -0.09 0.00 -0.02 0.00 0.00 31.44 30.34 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 -3.24 0.02 -2.24 2.62 -1.32 -1.26 -4.77 115.64 105.45 3k84 s THR 332 Ca 0.01 -0.13 0.19 0.00 -1.21 0.00 0.00 61.69 60.56 3k84 s THR 332 Cb 0.15 -0.71 0.43 0.00 -1.51 0.00 0.00 72.50 70.86 3k84 s THR 332 CO 0.85 -0.07 1.49 -0.90 -2.21 0.00 0.00 174.62 173.78 3k84 n ASP 333 N 2.09 1.83 -0.95 8.08 3.85 -1.26 -4.94 116.55 125.25 3k84 n ASP 333 Ca -0.17 -1.78 -0.12 0.00 -0.71 0.00 0.00 54.79 52.02 3k84 n ASP 333 Cb 0.57 -0.14 -0.05 0.00 -1.35 0.00 0.00 41.12 40.14 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 0.44 -5.68 0.01 -1.12 5.03 -1.26 -4.75 115.26 107.93 3k84 n ASN 334 Ca 0.16 0.30 -0.02 0.00 0.87 0.00 0.00 54.58 55.89 3k84 n ASN 334 Cb 0.34 -4.29 -0.01 0.00 -1.02 0.00 0.00 39.78 34.81 3k84 n ASN 334 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k84 n TYR 335 N -2.22 0.00 -3.58 3.10 4.19 -1.26 -4.94 117.16 112.45 3k84 n TYR 335 Ca -0.12 0.00 -0.40 0.00 3.31 0.00 0.00 57.90 60.68 3k84 n TYR 335 Cb 0.61 -0.12 -0.11 0.00 0.49 0.00 0.00 39.34 40.20 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 -2.15 4.81 0.06 2.97 2.01 -1.26 -4.65 115.64 117.43 3k84 s THR 336 Ca -0.07 -0.60 -0.32 0.00 0.31 0.00 0.00 61.69 61.01 3k84 s THR 336 Cb 0.01 -3.58 -0.11 0.00 0.01 0.00 0.00 72.50 68.82 3k84 s THR 336 CO 0.11 -0.13 1.82 0.80 -0.69 0.00 0.00 174.62 176.53 3k84 n MET 337 N 5.04 2.51 -2.26 4.92 1.56 -1.26 -4.50 117.12 123.12 3k84 n MET 337 Ca -0.12 0.91 -0.36 0.00 -0.27 0.00 0.00 57.70 57.86 3k84 n MET 337 Cb 0.48 -2.78 -0.00 0.00 2.15 0.00 0.00 33.22 33.06 3k84 n MET 337 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3k84 s PRO 338 N 2.96 3.54 0.76 2.12 0.04 -1.26 -4.97 135.00 138.19 3k84 s PRO 338 Ca 0.85 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 63.43 3k84 s PRO 338 Cb -0.57 -2.18 0.06 0.00 0.04 0.00 0.00 34.50 31.84 3k84 s PRO 338 CO 0.42 -0.71 1.19 -1.54 0.04 0.00 0.00 177.00 176.39 3k84 s SER 339 N -1.60 4.05 0.36 6.66 1.04 -1.26 -4.82 113.70 118.13 3k84 s SER 339 Ca 0.69 2.29 0.13 0.00 0.48 0.00 0.00 55.95 59.54 3k84 s SER 339 Cb -0.26 -2.58 0.96 0.00 0.10 0.00 0.00 66.02 64.24 3k84 s SER 339 CO 0.30 -2.36 1.79 -0.65 0.98 0.00 0.00 173.24 173.30 3k84 h PRO 340 N -0.57 0.53 -0.24 4.02 0.11 -1.91 -2.11 132.00 131.82 3k84 h PRO 340 Ca -0.47 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3k84 h PRO 340 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3k84 h PRO 340 CO 0.49 0.35 -0.05 0.00 -0.21 0.00 0.00 178.00 178.58 3k84 h ALA 341 N 1.64 0.33 -0.88 -0.75 0.00 -1.90 -1.85 119.26 115.85 3k84 h ALA 341 Ca 0.56 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 55.34 3k84 h ALA 341 Cb 1.19 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 3k84 h ALA 341 CO -0.31 0.11 0.50 0.52 0.00 0.00 0.00 179.25 180.08 3k84 h MET 342 N 0.20 0.76 -0.14 0.00 2.86 -1.63 -0.70 114.93 116.28 3k84 h MET 342 Ca 0.06 -0.05 -0.21 0.00 -2.06 0.00 0.00 59.70 57.44 3k84 h MET 342 Cb 0.50 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.00 3k84 h MET 342 CO 0.02 0.50 -0.76 -0.09 1.06 0.00 0.00 176.91 177.65 3k84 h ARG 343 N 0.78 0.71 -0.21 1.72 2.43 -1.28 -2.06 114.38 116.47 3k84 h ARG 343 Ca 0.45 -0.57 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 3k84 h ARG 343 Cb 0.50 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3k84 h ARG 343 CO -0.29 1.19 0.02 -0.09 -1.51 0.00 0.00 179.97 179.29 3k84 h ARG 344 N 0.49 0.36 -0.60 0.20 2.43 -1.13 -1.90 114.38 114.23 3k84 h ARG 344 Ca -0.05 -0.10 0.12 0.00 -0.81 0.00 0.00 59.98 59.14 3k84 h ARG 344 Cb 1.38 -0.04 -0.12 0.00 -0.42 0.00 0.00 29.97 30.77 3k84 h ARG 344 CO 0.15 0.52 -0.24 0.00 -1.51 0.00 0.00 179.97 178.90 3k84 h ALA 345 N 0.82 0.21 -0.32 2.80 0.00 -1.11 0.87 119.26 122.53 3k84 h ALA 345 Ca 0.06 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3k84 h ALA 345 Cb 0.35 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3k84 h ALA 345 CO 0.01 -0.54 0.05 1.25 0.00 0.00 0.00 179.25 180.02 3k84 h LEU 346 N -0.08 0.50 -0.29 0.00 7.12 -1.30 -1.84 115.31 119.41 3k84 h LEU 346 Ca 0.27 -0.26 -0.09 0.00 0.13 0.00 0.00 57.88 57.93 3k84 h LEU 346 Cb 0.51 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 40.50 3k84 h LEU 346 CO -0.65 0.64 -0.16 0.40 -0.13 0.00 0.00 178.44 178.54 3k84 h ILE 347 N 0.35 1.30 -0.46 4.05 2.04 -1.08 0.39 117.51 124.09 3k84 h ILE 347 Ca 0.10 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 64.66 3k84 h ILE 347 Cb 0.35 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3k84 h ILE 347 CO 0.01 0.40 0.14 -0.33 0.00 0.00 0.00 178.15 178.37 3k84 h GLU 348 N 0.37 0.72 0.07 2.37 5.08 -0.85 -1.28 114.58 121.05 3k84 h GLU 348 Ca 0.06 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3k84 h GLU 348 Cb 0.68 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3k84 h GLU 348 CO 0.05 0.69 -0.06 1.15 -1.00 0.00 0.00 179.01 179.84 3k84 h THR 349 N 0.61 0.86 -0.68 1.13 2.02 -1.26 -2.10 112.91 113.48 3k84 h THR 349 Ca 0.15 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.47 3k84 h THR 349 Cb 0.28 0.86 -0.10 0.00 -1.74 0.00 0.00 68.15 67.45 3k84 h THR 349 CO -0.00 0.00 0.16 0.50 0.37 0.00 0.00 175.52 176.55 3k84 h LYS 350 N -0.14 0.27 -0.06 6.66 3.64 -0.77 -1.03 116.57 125.14 3k84 h LYS 350 Ca 0.00 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 3k84 h LYS 350 Cb 0.13 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3k84 h LYS 350 CO -0.02 0.18 -0.49 1.96 -2.27 0.00 0.00 179.45 178.81 3k84 h GLN 351 N 0.27 0.15 -0.01 1.90 4.20 -1.01 -1.55 115.11 119.06 3k84 h GLN 351 Ca 0.37 -0.08 -0.21 0.00 0.06 0.00 0.00 58.65 58.79 3k84 h GLN 351 Cb 0.60 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 3k84 h GLN 351 CO -0.46 0.61 -0.88 0.00 -0.67 0.00 0.00 178.83 177.42 3k84 h ARG 352 N 0.12 0.34 -0.75 1.46 3.08 -0.84 -1.67 114.38 116.12 3k84 h ARG 352 Ca 0.00 -0.35 -0.05 0.00 0.07 0.00 0.00 59.98 59.65 3k84 h ARG 352 Cb 0.91 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 3k84 h ARG 352 CO 0.07 1.03 0.27 -0.07 -1.07 0.00 0.00 179.97 180.20 3k84 h LEU 353 N 0.20 1.07 -0.41 3.04 3.38 -1.08 -1.48 115.31 120.02 3k84 h LEU 353 Ca -0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3k84 h LEU 353 Cb 1.51 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3k84 h LEU 353 CO 0.15 0.97 0.21 -0.33 0.09 0.00 0.00 178.44 179.53 3k84 h GLU 354 N 1.10 0.58 0.00 1.13 5.08 -1.22 -1.55 114.58 119.70 3k84 h GLU 354 Ca 0.25 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3k84 h GLU 354 Cb 0.26 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3k84 h GLU 354 CO -0.01 0.49 -0.09 0.00 -1.00 0.00 0.00 179.01 178.40 3k84 h ALA 355 N 1.07 1.05 -0.01 3.43 0.00 -1.16 -2.24 119.26 121.39 3k84 h ALA 355 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k84 h ALA 355 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3k84 h ALA 355 CO -0.02 0.11 -0.03 0.00 0.00 0.00 0.00 179.25 179.31 3k84 n ALA 356 N -2.16 2.66 -0.08 0.00 0.00 -0.57 -4.93 120.51 115.43 3k84 n ALA 356 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3k84 n ALA 356 Cb 0.32 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 1.15 0.96 3.89 0.00 0.00 -0.84 -5.03 105.19 105.32 3k84 n GLY 357 Ca 0.19 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 3.48 -0.34 1.61 3.76 -0.61 -4.74 115.29 116.45 3k84 s HIS 358 Ca 0.00 0.87 -0.15 0.00 -0.15 0.00 0.00 55.06 55.63 3k84 s HIS 358 Cb 0.00 -2.30 -0.01 0.00 1.11 0.00 0.00 32.58 31.38 3k84 s HIS 358 CO 0.00 -0.02 0.35 0.99 -0.85 0.00 0.00 174.74 175.21 3k84 s THR 359 N -2.31 5.18 -0.29 1.30 2.01 -0.71 -4.28 115.64 116.53 3k84 s THR 359 Ca 0.48 0.07 -0.13 0.00 0.31 0.00 0.00 61.69 62.42 3k84 s THR 359 Cb -0.10 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 3k84 s THR 359 CO 0.32 -0.07 0.29 -0.76 -0.69 0.00 0.00 174.62 173.71 3k84 s LEU 360 N 2.01 4.12 -0.13 4.42 2.01 -1.26 -0.39 118.68 129.45 3k84 s LEU 360 Ca 0.12 0.05 0.02 0.00 0.01 0.00 0.00 54.13 54.33 3k84 s LEU 360 Cb -0.16 -2.27 0.01 0.00 0.01 0.00 0.00 46.19 43.78 3k84 s LEU 360 CO 0.11 -0.15 -0.20 -0.63 1.01 0.00 0.00 176.35 176.49 3k84 s ILE 361 N 1.91 1.90 0.27 -0.59 1.01 0.45 -4.98 121.20 121.17 3k84 s ILE 361 Ca 0.11 -0.88 -0.30 0.00 0.00 0.00 0.00 60.65 59.57 3k84 s ILE 361 Cb -0.16 -1.69 -0.11 0.00 0.01 0.00 0.00 42.46 40.50 3k84 s ILE 361 CO 0.11 0.52 1.60 -2.84 0.00 0.00 0.00 174.94 174.32 3k84 s PRO 362 N 0.90 4.14 -0.19 2.79 0.02 -1.26 -0.92 135.00 140.48 3k84 s PRO 362 Ca -0.06 2.55 -0.12 0.00 0.02 0.00 0.00 61.00 63.39 3k84 s PRO 362 Cb -0.15 -3.05 0.06 0.00 0.02 0.00 0.00 34.50 31.38 3k84 s PRO 362 CO -0.03 -0.63 0.48 0.12 -0.33 0.00 0.00 177.00 176.62 3k84 s PHE 363 N 0.22 -0.68 -0.05 6.54 2.19 -0.33 -4.76 117.98 121.11 3k84 s PHE 363 Ca 0.65 1.46 -0.02 0.00 0.33 0.00 0.00 56.93 59.35 3k84 s PHE 363 Cb -0.47 0.32 0.03 0.00 -1.31 0.00 0.00 43.02 41.59 3k84 s PHE 363 CO 0.44 -0.36 0.04 -1.17 1.83 0.00 0.00 175.22 176.00 3k84 s LEU 364 N 1.24 0.35 0.27 6.12 2.96 -1.26 -3.92 118.68 124.44 3k84 s LEU 364 Ca -0.08 0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.56 3k84 s LEU 364 Cb -0.07 -0.22 -0.14 0.00 0.50 0.00 0.00 46.19 46.26 3k84 s LEU 364 CO -0.12 -0.22 1.18 -2.65 -1.32 0.00 0.00 176.35 173.22 3k84 n PRO 365 N 5.15 1.63 -1.62 0.98 -0.02 -1.26 -4.93 135.00 134.94 3k84 n PRO 365 Ca -0.06 0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 61.65 3k84 n PRO 365 Cb 0.50 -2.07 0.07 0.00 -0.02 0.00 0.00 33.50 31.98 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 -0.24 4.66 -1.48 2.55 2.20 -1.26 -4.12 114.94 117.25 3k84 s ASN 366 Ca 0.62 2.20 -0.07 0.00 -0.94 0.00 0.00 52.86 54.67 3k84 s ASN 366 Cb -0.69 -2.57 0.05 0.00 -2.00 0.00 0.00 41.25 36.05 3k84 s ASN 366 CO 0.57 -1.94 0.67 0.59 -2.94 0.00 0.00 177.10 174.05 3k84 n ASN 367 N -2.50 -2.10 -0.16 3.54 3.02 -1.26 -4.87 115.26 110.92 3k84 n ASN 367 Ca 0.12 -0.93 -0.04 0.00 -0.03 0.00 0.00 54.58 53.71 3k84 n ASN 367 Cb 0.51 -3.35 0.06 0.00 -0.61 0.00 0.00 39.78 36.39 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 -1.82 0.89 -0.90 2.41 2.04 -1.94 -1.33 117.51 116.85 3k84 h ILE 368 Ca -0.61 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.17 3k84 h ILE 368 Cb 1.37 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 3k84 h ILE 368 CO 0.66 0.08 0.57 -0.65 0.00 0.00 0.00 178.15 178.81 3k84 h PRO 369 N 0.42 1.02 -0.51 2.37 0.11 -1.93 -0.80 132.00 132.68 3k84 h PRO 369 Ca 0.23 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.25 3k84 h PRO 369 Cb 0.20 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 3k84 h PRO 369 CO -0.20 0.67 0.22 -0.92 -0.21 0.00 0.00 178.00 177.56 3k84 h TYR 370 N 1.05 0.77 -0.42 0.65 3.20 -1.89 0.45 116.97 120.77 3k84 h TYR 370 Ca 0.39 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 3k84 h TYR 370 Cb 0.15 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 3k84 h TYR 370 CO -0.02 0.63 0.24 0.00 -1.64 0.00 0.00 178.16 177.37 3k84 h ALA 371 N 1.06 1.64 0.02 1.82 0.00 -0.31 -1.06 119.26 122.42 3k84 h ALA 371 Ca 0.17 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 3k84 h ALA 371 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3k84 h ALA 371 CO -0.02 0.31 -0.89 -0.07 0.00 0.00 0.00 179.25 178.58 3k84 h LEU 372 N 0.58 0.05 0.12 0.00 3.38 -1.05 0.22 115.31 118.61 3k84 h LEU 372 Ca 0.15 -0.71 -0.30 0.00 0.09 0.00 0.00 57.88 57.12 3k84 h LEU 372 Cb -0.01 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 40.75 3k84 h LEU 372 CO -0.03 1.36 -1.27 -0.33 0.09 0.00 0.00 178.44 178.26 3k84 h GLU 373 N -0.90 0.50 0.00 1.13 5.08 -0.94 -1.71 114.58 117.74 3k84 h GLU 373 Ca -0.24 -0.74 -0.06 0.00 -1.00 0.00 0.00 59.36 57.33 3k84 h GLU 373 Cb 1.28 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 3k84 h GLU 373 CO -0.11 1.33 -0.95 0.28 -1.00 0.00 0.00 179.01 178.56 3k84 n VAL 374 N -3.71 1.47 -0.04 3.13 0.31 -0.45 -4.22 118.33 114.82 3k84 n VAL 374 Ca -0.13 0.11 -0.13 0.00 -0.01 0.00 0.00 64.34 64.18 3k84 n VAL 374 Cb 1.01 -2.30 -0.11 0.00 -0.91 0.00 0.00 33.84 31.52 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 -0.00 -0.02 7.52 3.38 -1.49 -1.18 115.31 122.53 3k84 h LEU 375 Ca -0.09 -0.72 -0.02 0.00 0.09 0.00 0.00 57.88 57.15 3k84 h LEU 375 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3k84 h LEU 375 CO -0.05 0.72 -0.05 0.28 0.09 0.00 0.00 178.44 179.42 3k84 h SER 376 N -0.72 0.07 -0.34 -0.43 0.02 -1.00 -0.82 113.55 110.33 3k84 h SER 376 Ca -0.00 -0.62 -0.03 0.00 -0.84 0.00 0.00 61.79 60.30 3k84 h SER 376 Cb 0.72 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 3k84 h SER 376 CO 0.00 0.68 0.09 0.74 -1.14 0.00 0.00 176.83 177.20 3k84 h THR 377 N -0.54 1.22 -0.31 -2.27 2.02 -1.46 -1.75 112.91 109.82 3k84 h THR 377 Ca -0.00 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.39 3k84 h THR 377 Cb 0.67 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3k84 h THR 377 CO 0.01 0.25 -0.08 1.23 0.37 0.00 0.00 175.52 177.30 3k84 h GLY 378 N 0.39 0.55 1.12 2.16 0.00 -1.19 -1.31 103.07 104.79 3k84 h GLY 378 Ca 0.11 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 3k84 h GLY 378 CO -0.00 0.34 -0.41 -1.33 0.00 0.00 0.00 176.54 175.14 3k84 h GLY 379 N 0.89 0.99 2.00 4.60 0.00 -1.02 -0.47 103.07 110.06 3k84 h GLY 379 Ca 0.09 -1.04 -0.14 0.00 0.00 0.00 0.00 47.33 46.24 3k84 h GLY 379 CO 0.02 0.94 -0.66 1.41 0.00 0.00 0.00 176.54 178.25 3k84 h LEU 380 N 0.71 0.00 -4.19 3.11 3.38 -1.22 -3.36 115.31 113.74 3k84 h LEU 380 Ca 0.05 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.55 3k84 h LEU 380 Cb 1.01 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.34 3k84 h LEU 380 CO 0.10 0.66 -0.90 0.49 0.09 0.00 0.00 178.44 178.88 3k84 n PHE 381 N -3.31 2.35 -0.02 1.13 3.72 -0.50 -4.84 117.46 115.99 3k84 n PHE 381 Ca 0.01 -2.20 0.10 0.00 -0.05 0.00 0.00 57.45 55.31 3k84 n PHE 381 Cb 0.78 -0.31 0.50 0.00 -0.94 0.00 0.00 39.48 39.51 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 2.29 0.34 -0.42 4.37 0.02 -1.23 -1.07 113.55 117.85 3k84 h SER 382 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 3k84 h SER 382 Cb 1.47 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.94 3k84 h SER 382 CO 0.61 0.22 0.00 -0.90 -1.14 0.00 0.00 176.83 175.62 3k84 n ASP 383 N -4.47 4.35 0.00 3.07 5.75 -1.26 -1.29 116.55 122.69 3k84 n ASP 383 Ca 0.07 -2.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.21 3k84 n ASP 383 Cb 0.26 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 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 0.50 0.35 0.86 6.12 0.00 -0.40 -3.04 105.19 109.58 3k84 n GLY 384 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.39 0.75 0.15 -0.02 0.00 -1.26 -4.79 105.19 98.64 3k84 n GLY 385 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 3.62 0.41 -0.31 1.61 3.08 -1.88 0.99 114.38 121.89 3k84 h ARG 386 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3k84 h ARG 386 Cb 0.00 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3k84 h ARG 386 CO 0.00 0.47 0.19 0.77 -1.07 0.00 0.00 179.97 180.33 3k84 h SER 387 N 0.27 0.36 -0.05 7.04 0.02 -1.94 -2.21 113.55 117.04 3k84 h SER 387 Ca 0.09 -0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3k84 h SER 387 Cb 0.22 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 3k84 h SER 387 CO -0.00 0.29 -0.11 0.15 -1.14 0.00 0.00 176.83 176.02 3k84 h PHE 388 N 0.41 -0.28 0.00 3.45 3.57 -1.77 -3.07 116.94 119.26 3k84 h PHE 388 Ca 0.11 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 3k84 h PHE 388 Cb -0.01 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 3k84 h PHE 388 CO -0.05 -0.17 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.70 3k84 h LEU 389 N -0.16 0.00 -1.54 0.59 3.38 -0.65 -2.43 115.31 114.49 3k84 h LEU 389 Ca 0.06 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.19 3k84 h LEU 389 Cb 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3k84 h LEU 389 CO -0.15 0.10 0.53 1.56 0.09 0.00 0.00 178.44 180.57 3k84 h GLN 390 N 0.00 0.42 0.00 1.13 1.08 -1.29 -1.60 115.11 114.85 3k84 h GLN 390 Ca -0.00 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3k84 h GLN 390 Cb 0.24 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3k84 h GLN 390 CO 0.01 0.28 -0.02 -0.91 -0.95 0.00 0.00 178.83 177.24 3k84 h ASN 391 N 0.44 0.00 -0.01 1.46 2.35 -1.59 -2.80 115.58 115.43 3k84 h ASN 391 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 3k84 h ASN 391 Cb 0.90 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 3k84 h ASN 391 CO -0.14 0.02 -0.11 0.49 -1.65 0.00 0.00 177.43 176.05 3k84 n PHE 392 N -3.67 0.00 -1.66 1.19 3.72 -0.60 -4.75 117.46 111.69 3k84 n PHE 392 Ca -0.03 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.94 3k84 n PHE 392 Cb 0.11 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 3k84 n PHE 392 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3k84 n LYS 393 N 0.78 2.62 -0.94 -1.08 5.02 -1.06 -0.90 118.16 122.60 3k84 n LYS 393 Ca 0.14 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 3k84 n LYS 393 Cb 0.52 -2.95 0.00 0.00 -0.02 0.00 0.00 35.03 32.58 3k84 n LYS 393 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k84 n GLY 394 N 4.68 0.91 3.86 0.72 0.00 -1.26 -4.97 105.19 109.12 3k84 n GLY 394 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.86 5.80 0.52 1.61 -1.08 -0.08 -4.38 116.67 116.20 3k84 s ASP 395 Ca 0.00 -0.07 -0.21 0.00 -0.52 0.00 0.00 52.55 51.75 3k84 s ASP 395 Cb 0.00 -1.59 -0.06 0.00 -1.46 0.00 0.00 42.92 39.81 3k84 s ASP 395 CO 0.00 0.02 1.15 -0.36 0.52 0.00 0.00 175.17 176.50 3k84 s PHE 396 N -1.89 2.72 -0.30 -5.34 0.40 -1.26 -5.03 117.98 107.28 3k84 s PHE 396 Ca 0.33 1.54 -0.10 0.00 -0.60 0.00 0.00 56.93 58.09 3k84 s PHE 396 Cb -0.09 -3.35 -0.02 0.00 0.51 0.00 0.00 43.02 40.07 3k84 s PHE 396 CO 0.26 -1.62 0.16 0.08 0.70 0.00 0.00 175.22 174.80 3k84 s VAL 397 N -1.67 4.79 0.23 -0.44 1.01 -1.26 -4.92 120.40 118.15 3k84 s VAL 397 Ca 0.70 -0.26 -0.32 0.00 0.00 0.00 0.00 61.98 62.10 3k84 s VAL 397 Cb -0.26 -3.40 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 3k84 s VAL 397 CO 0.31 0.12 1.60 -0.67 0.00 0.00 0.00 175.10 176.45 3k84 n ASP 398 N 5.01 3.54 -0.17 3.32 -0.08 -1.26 -4.87 116.55 122.03 3k84 n ASP 398 Ca -0.14 1.11 0.29 0.00 -1.51 0.00 0.00 54.79 54.54 3k84 n ASP 398 Cb 0.50 -1.52 0.71 0.00 2.34 0.00 0.00 41.12 43.15 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 5.54 0.00 0.00 -0.67 0.11 -1.94 -1.90 132.00 133.14 3k84 h PRO 399 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.86 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.65 3k84 n LEU 401 N -2.20 0.22 0.00 0.00 4.77 -0.71 -3.52 117.00 115.56 3k84 n LEU 401 Ca 0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3k84 n LEU 401 Cb 0.23 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3k84 n LEU 401 CO 0.19 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3k84 n GLY 402 N 1.05 3.35 1.34 -0.72 0.00 -0.63 -2.26 105.19 107.33 3k84 n GLY 402 Ca 0.22 -0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 3.39 4.25 -0.17 1.61 8.00 -1.26 -4.66 116.55 127.70 3k84 n ASP 403 Ca 0.00 -2.33 -0.04 0.00 0.71 0.00 0.00 54.79 53.14 3k84 n ASP 403 Cb 0.00 -0.50 0.06 0.00 -0.02 0.00 0.00 41.12 40.66 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 3.65 0.36 -0.41 0.64 5.85 -1.75 -1.26 115.31 122.39 3k84 h LEU 404 Ca 0.00 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3k84 h LEU 404 Cb 1.24 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3k84 h LEU 404 CO 0.15 0.24 0.07 0.40 -0.34 0.00 0.00 178.44 178.96 3k84 h ILE 405 N 0.50 1.24 -0.94 4.05 1.08 -1.83 -0.77 117.51 120.84 3k84 h ILE 405 Ca 0.24 -0.87 0.05 0.00 -0.39 0.00 0.00 64.86 63.89 3k84 h ILE 405 Cb 0.17 1.01 -0.06 0.00 -3.07 0.00 0.00 36.82 34.87 3k84 h ILE 405 CO -0.18 0.30 0.60 0.25 -0.69 0.00 0.00 178.15 178.43 3k84 h LEU 406 N 0.53 0.98 -0.12 1.44 6.46 -1.80 -2.14 115.31 120.66 3k84 h LEU 406 Ca 0.13 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.77 3k84 h LEU 406 Cb 0.37 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 3k84 h LEU 406 CO 0.01 0.65 -0.38 0.40 -0.62 0.00 0.00 178.44 178.50 3k84 h ILE 407 N 1.13 1.37 -0.17 4.05 2.04 -0.87 -3.12 117.51 121.95 3k84 h ILE 407 Ca 0.39 -1.69 -0.03 0.00 1.00 0.00 0.00 64.86 64.54 3k84 h ILE 407 Cb 0.09 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3k84 h ILE 407 CO -0.15 0.50 -0.03 -0.07 0.00 0.00 0.00 178.15 178.41 3k84 h LEU 408 N 0.06 0.22 -1.31 1.44 3.38 -1.05 -2.07 115.31 115.98 3k84 h LEU 408 Ca -0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3k84 h LEU 408 Cb 1.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3k84 h LEU 408 CO 0.08 0.29 -0.26 0.03 0.09 0.00 0.00 178.44 178.67 3k84 h ARG 409 N 0.24 0.00 -6.72 1.13 3.08 -1.37 -3.46 114.38 107.28 3k84 h ARG 409 Ca 0.06 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.54 3k84 h ARG 409 Cb 0.21 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.37 3k84 h ARG 409 CO 0.01 0.26 0.50 1.28 -1.07 0.00 0.00 179.97 180.95 3k84 n LEU 410 N -3.60 3.44 -4.77 3.04 4.77 -0.78 -4.91 117.00 114.19 3k84 n LEU 410 Ca -0.01 1.20 -0.40 0.00 -0.03 0.00 0.00 56.01 56.77 3k84 n LEU 410 Cb 0.40 -1.47 0.02 0.00 -2.33 0.00 0.00 43.42 40.03 3k84 n LEU 410 CO 0.34 -0.52 1.09 -2.65 -1.33 0.00 0.00 177.39 174.32 3k84 n PRO 411 N 0.70 2.31 -0.32 3.23 -0.02 -1.26 -4.72 135.00 134.93 3k84 n PRO 411 Ca 0.06 0.82 0.15 0.00 -2.02 0.00 0.00 63.50 62.51 3k84 n PRO 411 Cb 0.35 -2.65 0.34 0.00 -0.02 0.00 0.00 33.50 31.53 3k84 n PRO 411 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3k84 h SER 412 N 2.37 0.43 -0.30 2.55 0.87 -1.94 0.28 113.55 117.81 3k84 h SER 412 Ca -0.51 0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.15 3k84 h SER 412 Cb 1.27 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.31 3k84 h SER 412 CO 0.61 0.02 0.03 4.11 -0.53 0.00 0.00 176.83 181.07 3k84 h TRP 413 N 0.44 0.63 -0.10 2.24 5.08 -1.99 -1.61 115.95 120.64 3k84 h TRP 413 Ca 0.59 -0.06 -0.20 0.00 1.08 0.00 0.00 58.89 60.30 3k84 h TRP 413 Cb 1.14 -0.18 0.01 0.00 -3.00 0.00 0.00 29.16 27.13 3k84 h TRP 413 CO -0.10 0.59 -0.72 0.35 -1.28 0.00 0.00 178.44 177.29 3k84 h PHE 414 N 0.58 0.91 -0.69 0.12 3.57 -0.87 -1.05 116.94 119.52 3k84 h PHE 414 Ca 0.13 -0.43 0.10 0.00 3.53 0.00 0.00 57.97 61.30 3k84 h PHE 414 Cb 0.33 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.86 3k84 h PHE 414 CO 0.01 1.24 0.31 0.87 -2.23 0.00 0.00 178.31 178.51 3k84 h LYS 415 N 0.32 0.50 -0.50 1.11 1.57 -1.03 0.41 116.57 118.95 3k84 h LYS 415 Ca -0.06 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3k84 h LYS 415 Cb 1.36 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 3k84 h LYS 415 CO 0.15 0.33 0.15 -0.09 -0.57 0.00 0.00 179.45 179.42 3k84 h ARG 416 N 0.52 0.78 0.61 3.15 2.43 -1.21 -0.52 114.38 120.13 3k84 h ARG 416 Ca 0.35 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3k84 h ARG 416 Cb 0.41 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3k84 h ARG 416 CO -0.30 0.74 -0.29 1.25 -1.51 0.00 0.00 179.97 179.85 3k84 h LEU 417 N 0.68 -0.69 -1.09 3.80 5.85 -0.73 -2.19 115.31 120.95 3k84 h LEU 417 Ca 0.16 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.94 3k84 h LEU 417 Cb 0.28 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 3k84 h LEU 417 CO -0.00 -0.43 0.62 0.25 -0.34 0.00 0.00 178.44 178.53 3k84 h LEU 418 N -0.90 0.97 -0.40 2.25 5.85 -0.95 -1.30 115.31 120.83 3k84 h LEU 418 Ca -0.08 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.69 3k84 h LEU 418 Cb 0.65 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3k84 h LEU 418 CO 0.14 0.63 0.15 -1.28 -0.34 0.00 0.00 178.44 177.74 3k84 h SER 419 N 1.10 0.18 0.31 1.25 0.87 -1.00 -0.88 113.55 115.39 3k84 h SER 419 Ca 0.41 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.92 3k84 h SER 419 Cb 0.17 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3k84 h SER 419 CO -0.15 0.14 -0.36 -0.07 -0.53 0.00 0.00 176.83 175.86 3k84 h LEU 420 N 0.32 0.07 -0.08 2.23 3.38 -0.62 -2.14 115.31 118.48 3k84 h LEU 420 Ca 0.18 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.91 3k84 h LEU 420 Cb 0.15 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.89 3k84 h LEU 420 CO -0.17 0.43 -0.79 -0.07 0.09 0.00 0.00 178.44 177.93 3k84 h LEU 421 N 0.06 0.83 -0.54 1.67 4.07 -0.93 -3.30 115.31 117.18 3k84 h LEU 421 Ca 0.01 -0.68 -0.06 0.00 0.08 0.00 0.00 57.88 57.23 3k84 h LEU 421 Cb 0.67 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 3k84 h LEU 421 CO 0.05 1.39 -0.26 -0.07 -1.08 0.00 0.00 178.44 178.47 3k84 h LEU 422 N 0.35 0.00 -0.54 1.67 3.38 -1.06 -3.39 115.31 115.72 3k84 h LEU 422 Ca -0.08 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.00 3k84 h LEU 422 Cb 1.44 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.10 3k84 h LEU 422 CO 0.16 0.26 0.01 0.50 0.09 0.00 0.00 178.44 179.46 3k84 h LYS 423 N 0.00 0.12 -0.28 1.13 3.64 -1.46 0.53 116.57 120.25 3k84 h LYS 423 Ca -0.00 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3k84 h LYS 423 Cb 1.00 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 3k84 h LYS 423 CO 0.03 0.08 0.07 -1.35 -2.27 0.00 0.00 179.45 176.02 3k84 h PRO 424 N 0.13 0.18 0.14 1.90 0.11 -1.81 -3.15 132.00 129.48 3k84 h PRO 424 Ca 0.27 -0.01 -0.35 0.00 0.11 0.00 0.00 66.00 66.03 3k84 h PRO 424 Cb 0.42 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3k84 h PRO 424 CO -0.45 0.12 -1.83 -0.07 -0.21 0.00 0.00 178.00 175.56 3k84 h LEU 425 N 0.18 0.45 -6.08 2.35 4.07 -1.68 -3.42 115.31 111.19 3k84 h LEU 425 Ca 0.13 -0.92 -0.58 0.00 0.08 0.00 0.00 57.88 56.59 3k84 h LEU 425 Cb 0.12 -0.15 -0.41 0.00 1.08 0.00 0.00 40.66 41.31 3k84 h LEU 425 CO -0.15 1.80 -0.84 0.49 -1.08 0.00 0.00 178.44 178.66 3k84 n PHE 426 N -3.61 1.80 -0.09 1.13 3.01 0.18 -4.98 117.46 114.90 3k84 n PHE 426 Ca -0.29 -3.88 0.12 0.00 1.01 0.00 0.00 57.45 54.41 3k84 n PHE 426 Cb 1.02 -0.46 0.49 0.00 -0.01 0.00 0.00 39.48 40.52 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 4.04 0.41 -0.37 -1.08 0.13 -1.67 -1.86 132.00 131.60 3k84 h PRO 427 Ca 0.14 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 3k84 h PRO 427 Cb 0.76 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 3k84 h PRO 427 CO 0.66 0.27 0.10 0.00 -0.23 0.00 0.00 178.00 178.81 3k84 h ARG 428 N 0.43 0.59 -0.42 0.86 3.08 -1.93 0.29 114.38 117.29 3k84 h ARG 428 Ca 0.29 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 3k84 h ARG 428 Cb 0.55 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 3k84 h ARG 428 CO -0.08 0.62 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.31 3k84 h LEU 429 N 0.46 0.78 -0.34 3.04 3.38 -1.79 -1.59 115.31 119.25 3k84 h LEU 429 Ca 0.12 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3k84 h LEU 429 Cb 0.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3k84 h LEU 429 CO -0.00 0.94 0.21 0.00 0.09 0.00 0.00 178.44 179.68 3k84 h ALA 430 N 0.87 0.43 -0.95 1.53 0.00 -1.30 -1.25 119.26 118.58 3k84 h ALA 430 Ca 0.11 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3k84 h ALA 430 Cb 0.58 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3k84 h ALA 430 CO 0.03 -0.08 0.63 0.00 0.00 0.00 0.00 179.25 179.83 3k84 h ALA 431 N 1.09 1.21 0.31 0.00 0.00 -0.84 -1.01 119.26 120.01 3k84 h ALA 431 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3k84 h ALA 431 Cb -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.40 3k84 h ALA 431 CO -0.02 0.61 -0.15 0.35 0.00 0.00 0.00 179.25 180.04 3k84 h PHE 432 N 1.29 -0.38 -0.66 0.00 -0.00 -0.88 -1.95 116.94 114.36 3k84 h PHE 432 Ca 0.35 -0.01 0.03 0.00 -0.00 0.00 0.00 57.97 58.34 3k84 h PHE 432 Cb -0.15 0.13 -0.04 0.00 -0.00 0.00 0.00 35.95 35.89 3k84 h PHE 432 CO -0.00 -0.21 0.44 -0.07 -0.00 0.00 0.00 178.31 178.47 3k84 h LEU 433 N -0.46 0.69 -0.40 0.59 3.38 -1.02 -2.92 115.31 115.17 3k84 h LEU 433 Ca -0.04 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 3k84 h LEU 433 Cb 0.35 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3k84 h LEU 433 CO 0.07 0.48 -0.55 -1.13 0.09 0.00 0.00 178.44 177.40 3k84 h ASN 434 N 0.80 0.80 -0.32 -0.43 -1.24 -0.89 -3.27 115.58 111.04 3k84 h ASN 434 Ca 0.26 -0.43 0.00 0.00 0.71 0.00 0.00 56.30 56.84 3k84 h ASN 434 Cb 0.05 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 38.87 3k84 h ASN 434 CO -0.07 1.19 0.00 0.59 -1.29 0.00 0.00 177.43 177.85 3k84 n ASN 435 N -3.98 2.30 -1.25 1.15 3.02 -0.76 -3.63 115.26 112.11 3k84 n ASN 435 Ca -0.04 -1.88 0.05 0.00 -0.03 0.00 0.00 54.58 52.68 3k84 n ASN 435 Cb 0.62 -0.21 0.28 0.00 -0.61 0.00 0.00 39.78 39.86 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 0.74 3.25 -3.28 3.52 0.00 -1.15 -3.26 117.12 116.95 3k84 n MET 436 Ca 0.16 -2.97 -0.30 0.00 0.00 0.00 0.00 57.70 54.59 3k84 n MET 436 Cb 0.40 -1.97 -0.04 0.00 0.00 0.00 0.00 33.22 31.61 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 -2.89 3.71 0.63 3.17 0.52 -1.24 -4.03 118.95 118.82 3k84 s ARG 437 Ca 0.47 0.17 -0.16 0.00 -0.52 0.00 0.00 55.73 55.68 3k84 s ARG 437 Cb 0.38 -2.60 -0.02 0.00 0.52 0.00 0.00 34.95 33.23 3k84 s ARG 437 CO 0.10 0.20 1.12 -1.25 0.02 0.00 0.00 175.30 175.49 3k84 s PRO 438 N -3.37 2.95 0.23 3.54 0.04 -1.26 -3.83 135.00 133.30 3k84 s PRO 438 Ca 0.46 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 62.90 3k84 s PRO 438 Cb -0.11 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 3k84 s PRO 438 CO 0.27 -1.14 0.33 -0.98 0.04 0.00 0.00 177.00 175.51 3k84 s ARG 439 N -3.85 1.41 0.85 4.56 1.70 -0.42 -4.85 118.95 118.37 3k84 s ARG 439 Ca 0.69 -1.44 -0.12 0.00 -0.47 0.00 0.00 55.73 54.39 3k84 s ARG 439 Cb -0.22 0.38 0.10 0.00 -0.57 0.00 0.00 34.95 34.65 3k84 s ARG 439 CO 0.37 -0.54 1.11 -1.54 -1.08 0.00 0.00 175.30 173.63 3k84 s SER 440 N -3.09 3.98 0.22 -2.89 1.04 -1.26 -4.84 113.70 106.86 3k84 s SER 440 Ca 0.30 1.17 -0.08 0.00 0.48 0.00 0.00 55.95 57.82 3k84 s SER 440 Cb 0.03 -1.83 0.16 0.00 0.10 0.00 0.00 66.02 64.48 3k84 s SER 440 CO 0.11 -2.27 1.79 0.00 0.98 0.00 0.00 173.24 173.84 3k84 h ALA 441 N -1.30 1.05 -0.63 5.32 0.00 -1.99 -0.96 119.26 120.75 3k84 h ALA 441 Ca -0.49 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.35 3k84 h ALA 441 Cb 1.30 -0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 3k84 h ALA 441 CO 0.60 0.67 0.13 1.49 0.00 0.00 0.00 179.25 182.14 3k84 h GLU 442 N 1.18 0.25 -0.04 0.00 4.81 -2.00 0.12 114.58 118.91 3k84 h GLU 442 Ca 0.27 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.32 3k84 h GLU 442 Cb 0.20 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3k84 h GLU 442 CO -0.02 0.16 -0.72 0.87 -0.73 0.00 0.00 179.01 178.57 3k84 h LYS 443 N 0.26 0.20 -0.56 1.92 1.79 -1.85 -2.61 116.57 115.72 3k84 h LYS 443 Ca 0.33 -0.17 -0.09 0.00 -2.18 0.00 0.00 60.65 58.54 3k84 h LYS 443 Cb 0.51 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.18 3k84 h LYS 443 CO -0.43 0.83 -0.02 1.25 -1.08 0.00 0.00 179.45 180.00 3k84 h LEU 444 N 0.14 0.96 -0.32 2.94 5.85 -0.44 -1.89 115.31 122.54 3k84 h LEU 444 Ca -0.02 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.46 3k84 h LEU 444 Cb 1.27 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3k84 h LEU 444 CO 0.11 1.03 0.12 -0.50 -0.34 0.00 0.00 178.44 178.85 3k84 h TRP 445 N 0.90 0.21 -0.62 1.25 4.06 -0.66 -0.37 115.95 120.73 3k84 h TRP 445 Ca 0.16 0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.21 3k84 h TRP 445 Cb 0.55 -0.05 -0.07 0.00 -1.00 0.00 0.00 29.16 28.59 3k84 h TRP 445 CO 0.04 0.10 0.25 -0.22 -3.56 0.00 0.00 178.44 175.04 3k84 h LYS 446 N 0.26 0.44 -0.59 0.49 3.64 -1.31 -0.43 116.57 119.07 3k84 h LYS 446 Ca 0.14 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.40 3k84 h LYS 446 Cb 0.11 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3k84 h LYS 446 CO -0.14 0.29 -0.02 1.25 -2.27 0.00 0.00 179.45 178.55 3k84 h LEU 447 N 0.45 1.05 -0.60 5.20 5.85 -0.96 -1.66 115.31 124.64 3k84 h LEU 447 Ca 0.31 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 3k84 h LEU 447 Cb 0.35 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3k84 h LEU 447 CO -0.29 1.11 0.01 1.56 -0.34 0.00 0.00 178.44 180.49 3k84 h GLN 448 N 0.96 1.06 -0.60 1.25 4.20 -0.65 0.34 115.11 121.67 3k84 h GLN 448 Ca 0.17 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 3k84 h GLN 448 Cb 0.59 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3k84 h GLN 448 CO 0.04 1.03 0.08 1.25 -0.67 0.00 0.00 178.83 180.56 3k84 h HIS 449 N 0.96 1.03 -0.42 2.96 2.76 -0.98 -2.09 115.15 119.37 3k84 h HIS 449 Ca 0.17 -0.14 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 3k84 h HIS 449 Cb 0.55 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 3k84 h HIS 449 CO 0.04 0.89 -0.03 0.93 -1.30 0.00 0.00 177.93 178.46 3k84 h GLU 450 N 0.92 0.70 -0.49 5.26 5.08 -0.90 -0.35 114.58 124.79 3k84 h GLU 450 Ca 0.18 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3k84 h GLU 450 Cb 0.42 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3k84 h GLU 450 CO 0.01 0.73 0.26 0.82 -1.00 0.00 0.00 179.01 179.83 3k84 h ILE 451 N 0.65 1.18 -0.18 3.13 2.04 -0.70 -1.03 117.51 122.59 3k84 h ILE 451 Ca 0.13 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 3k84 h ILE 451 Cb 0.45 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3k84 h ILE 451 CO 0.02 0.19 0.10 -0.08 0.00 0.00 0.00 178.15 178.38 3k84 h GLU 452 N 0.64 0.26 -0.71 2.37 4.81 -0.98 -1.46 114.58 119.51 3k84 h GLU 452 Ca 0.17 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3k84 h GLU 452 Cb 0.07 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3k84 h GLU 452 CO -0.03 0.25 0.34 0.52 -0.73 0.00 0.00 179.01 179.37 3k84 h MET 453 N 0.19 1.02 -0.29 1.92 2.86 -1.02 -2.28 114.93 117.34 3k84 h MET 453 Ca 0.06 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3k84 h MET 453 Cb 0.07 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3k84 h MET 453 CO -0.01 0.81 0.14 -0.92 1.06 0.00 0.00 176.91 177.99 3k84 h TYR 454 N 0.99 0.41 -0.59 -0.22 5.03 -0.97 -0.42 116.97 121.20 3k84 h TYR 454 Ca 0.24 -0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.60 3k84 h TYR 454 Cb 0.12 -0.13 -0.06 0.00 1.55 0.00 0.00 36.73 38.22 3k84 h TYR 454 CO 0.01 0.37 0.29 -0.09 -1.32 0.00 0.00 178.16 177.41 3k84 h ARG 455 N 0.34 0.52 -0.08 1.82 2.43 -1.11 -1.63 114.38 116.66 3k84 h ARG 455 Ca 0.10 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 3k84 h ARG 455 Cb 0.11 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3k84 h ARG 455 CO -0.01 0.35 -0.33 1.96 -1.51 0.00 0.00 179.97 180.42 3k84 h GLN 456 N 0.54 0.16 -0.45 0.20 1.08 -1.09 -1.80 115.11 113.74 3k84 h GLN 456 Ca 0.27 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.30 3k84 h GLN 456 Cb 0.22 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 3k84 h GLN 456 CO -0.20 0.48 -0.15 0.66 -0.95 0.00 0.00 178.83 178.66 3k84 h SER 457 N 0.14 0.92 -0.26 1.46 4.64 -0.20 0.14 113.55 120.39 3k84 h SER 457 Ca 0.02 -0.38 -0.17 0.00 -0.47 0.00 0.00 61.79 60.79 3k84 h SER 457 Cb 0.66 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3k84 h SER 457 CO 0.05 1.09 -0.48 0.58 -0.87 0.00 0.00 176.83 177.20 3k84 h VAL 458 N 0.74 1.28 -0.37 0.95 2.07 -1.26 -1.41 116.25 118.25 3k84 h VAL 458 Ca 0.11 -1.67 0.06 0.00 0.82 0.00 0.00 66.70 66.02 3k84 h VAL 458 Cb 0.71 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.99 3k84 h VAL 458 CO 0.05 0.55 0.06 0.40 0.02 0.00 0.00 177.57 178.65 3k84 h ILE 459 N 0.66 0.80 -0.87 4.57 2.04 -1.17 0.27 117.51 123.81 3k84 h ILE 459 Ca 0.03 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.83 3k84 h ILE 459 Cb 1.07 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 3k84 h ILE 459 CO 0.11 0.03 0.54 0.00 0.00 0.00 0.00 178.15 178.83 3k84 h ALA 460 N 1.28 1.32 -0.12 1.87 0.00 -0.61 -0.37 119.26 122.63 3k84 h ALA 460 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k84 h ALA 460 Cb 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3k84 h ALA 460 CO -0.24 0.60 0.08 0.37 0.00 0.00 0.00 179.25 180.06 3k84 h GLN 461 N 1.19 0.16 -0.22 0.00 4.15 -0.69 -1.30 115.11 118.39 3k84 h GLN 461 Ca 0.31 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.73 3k84 h GLN 461 Cb -0.08 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3k84 h GLN 461 CO -0.06 0.12 0.13 2.35 -1.93 0.00 0.00 178.83 179.44 3k84 h TRP 462 N 0.15 0.25 -0.15 3.99 2.91 -0.50 -2.77 115.95 119.83 3k84 h TRP 462 Ca 0.04 0.01 -0.09 0.00 1.13 0.00 0.00 58.89 59.98 3k84 h TRP 462 Cb -0.00 -0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.55 3k84 h TRP 462 CO -0.07 0.15 -0.31 0.87 -1.03 0.00 0.00 178.44 178.06 3k84 h LYS 463 N 0.27 0.28 0.00 2.65 1.79 -1.03 -1.97 116.57 118.57 3k84 h LYS 463 Ca 0.08 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 3k84 h LYS 463 Cb -0.01 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3k84 h LYS 463 CO -0.04 0.57 -0.10 0.00 -1.08 0.00 0.00 179.45 178.80 3k84 h ALA 464 N 1.44 1.15 -0.37 3.86 0.00 -0.96 -1.49 119.26 122.89 3k84 h ALA 464 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3k84 h ALA 464 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3k84 h ALA 464 CO 0.05 0.13 0.00 -1.33 0.00 0.00 0.00 179.25 178.10 3k84 n MET 465 N -3.43 2.34 -4.13 0.00 2.81 -1.01 -4.99 117.12 108.72 3k84 n MET 465 Ca -0.01 -2.10 -0.32 0.00 -1.81 0.00 0.00 57.70 53.46 3k84 n MET 465 Cb 0.26 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.34 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 1.09 -1.79 -4.78 7.83 4.05 -0.56 -4.94 115.26 116.16 3k84 n ASN 466 Ca 0.16 -1.03 -0.36 0.00 0.45 0.00 0.00 54.58 53.80 3k84 n ASN 466 Cb 0.50 -2.78 -0.02 0.00 1.23 0.00 0.00 39.78 38.71 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 -7.16 3.96 -0.22 1.20 1.43 -0.95 -4.82 118.68 112.12 3k84 s LEU 467 Ca 0.39 2.17 -0.19 0.00 -1.03 0.00 0.00 54.13 55.47 3k84 s LEU 467 Cb -0.21 -4.35 -0.16 0.00 0.03 0.00 0.00 46.19 41.49 3k84 s LEU 467 CO 0.92 -0.88 0.07 0.47 0.23 0.00 0.00 176.35 177.16 3k84 n ASP 468 N -0.65 1.88 -3.64 2.29 10.43 0.38 -4.90 116.55 122.34 3k84 n ASP 468 Ca 0.08 0.42 -0.17 0.00 2.57 0.00 0.00 54.79 57.69 3k84 n ASP 468 Cb 0.50 -0.93 -0.09 0.00 1.84 0.00 0.00 41.12 42.44 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 -2.39 0.00 -0.03 2.53 -7.23 -0.98 -4.60 120.40 107.69 3k84 s VAL 469 Ca -0.30 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 57.88 3k84 s VAL 469 Cb 0.07 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.54 3k84 s VAL 469 CO 0.54 0.00 -0.01 -0.22 -0.31 0.00 0.00 175.10 175.10 3k84 s LEU 470 N -3.30 1.28 -0.19 1.32 2.96 -0.09 -1.22 118.68 119.45 3k84 s LEU 470 Ca 0.40 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 54.20 3k84 s LEU 470 Cb 0.04 -0.25 -0.03 0.00 0.50 0.00 0.00 46.19 46.44 3k84 s LEU 470 CO 0.22 -0.08 0.03 -0.22 -1.32 0.00 0.00 176.35 174.99 3k84 s LEU 471 N 0.89 3.53 0.16 -0.68 2.96 0.70 -1.00 118.68 125.23 3k84 s LEU 471 Ca -0.09 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 3k84 s LEU 471 Cb -0.13 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 3k84 s LEU 471 CO -0.01 0.13 -0.01 0.42 -1.32 0.00 0.00 176.35 175.55 3k84 s THR 472 N 0.65 0.68 0.70 3.68 -4.23 -0.55 -2.40 115.64 114.16 3k84 s THR 472 Ca 0.01 -1.97 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 3k84 s THR 472 Cb -0.14 -2.02 0.02 0.00 1.34 0.00 0.00 72.50 71.70 3k84 s THR 472 CO 0.02 -0.56 1.11 -2.84 -0.54 0.00 0.00 174.62 171.81 3k84 s PRO 473 N -3.90 2.57 -0.05 3.99 0.02 -1.25 -1.37 135.00 135.01 3k84 s PRO 473 Ca 0.21 1.37 0.05 0.00 0.02 0.00 0.00 61.00 62.65 3k84 s PRO 473 Cb 0.06 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.65 3k84 s PRO 473 CO 0.02 -1.43 -0.21 1.41 -0.33 0.00 0.00 177.00 176.46 3k84 s MET 474 N -4.30 2.22 -0.25 5.54 1.75 -1.25 -4.34 119.30 118.67 3k84 s MET 474 Ca 0.66 -0.76 -0.40 0.00 -1.25 0.00 0.00 55.69 53.94 3k84 s MET 474 Cb -0.20 -1.88 -0.15 0.00 2.84 0.00 0.00 34.83 35.43 3k84 s MET 474 CO 0.46 0.30 1.74 -0.11 -0.65 0.00 0.00 175.02 176.76 3k84 n LEU 475 N 3.09 2.43 -3.55 4.11 7.94 -1.26 -4.65 117.00 125.11 3k84 n LEU 475 Ca -0.18 1.07 -0.08 0.00 -1.11 0.00 0.00 56.01 55.71 3k84 n LEU 475 Cb 0.52 -1.16 -0.03 0.00 0.53 0.00 0.00 43.42 43.29 3k84 n LEU 475 CO 0.25 -0.43 0.81 -0.83 -1.11 0.00 0.00 177.39 176.08 3k84 s GLY 476 N 3.46 -0.34 0.07 -3.96 0.00 -1.26 -4.73 107.32 100.56 3k84 s GLY 476 Ca 0.97 1.55 0.00 0.00 0.00 0.00 0.00 44.72 47.24 3k84 s GLY 476 CO 0.64 0.63 0.09 -1.55 0.00 0.00 0.00 173.10 172.92 3k84 n PRO 477 N 0.13 0.63 -1.63 2.90 -0.04 -1.26 -4.40 135.00 131.33 3k84 n PRO 477 Ca -0.07 -0.27 -0.49 0.00 -0.04 0.00 0.00 63.50 62.63 3k84 n PRO 477 Cb 0.60 -0.06 -0.05 0.00 -0.04 0.00 0.00 33.50 33.95 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 -2.98 0.07 -1.76 0.55 0.00 -1.26 -4.83 120.51 110.30 3k84 n ALA 478 Ca -0.02 0.48 -0.34 0.00 0.00 0.00 0.00 53.44 53.56 3k84 n ALA 478 Cb 0.06 -2.20 -0.01 0.00 0.00 0.00 0.00 19.45 17.30 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 0.74 3.74 0.67 0.00 1.02 -1.26 -4.68 118.68 118.89 3k84 s LEU 479 Ca 0.82 2.07 -0.17 0.00 0.02 0.00 0.00 54.13 56.87 3k84 s LEU 479 Cb -0.83 -4.57 -0.04 0.00 0.02 0.00 0.00 46.19 40.77 3k84 s LEU 479 CO 0.43 -1.11 0.75 0.47 0.02 0.00 0.00 176.35 176.91 3k84 n ASP 480 N -1.32 -0.26 -4.70 2.29 8.00 -0.82 -0.40 116.55 119.34 3k84 n ASP 480 Ca 0.11 0.69 -0.43 0.00 0.71 0.00 0.00 54.79 55.87 3k84 n ASP 480 Cb 0.52 -1.30 -0.01 0.00 -0.02 0.00 0.00 41.12 40.31 3k84 n ASP 480 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3k84 n LEU 481 N -0.63 3.50 -0.20 0.64 4.77 -0.81 -2.79 117.00 121.48 3k84 n LEU 481 Ca 0.12 1.20 -0.03 0.00 -0.03 0.00 0.00 56.01 57.28 3k84 n LEU 481 Cb 0.49 -1.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.09 3k84 n LEU 481 CO 0.50 -0.49 -0.02 0.59 -1.33 0.00 0.00 177.39 176.63 3k84 n ASN 482 N 0.91 -4.22 -0.05 -1.43 5.03 -1.26 -4.89 115.26 109.35 3k84 n ASN 482 Ca 0.05 0.06 -0.02 0.00 0.87 0.00 0.00 54.58 55.55 3k84 n ASN 482 Cb 0.36 -1.94 -0.12 0.00 -1.02 0.00 0.00 39.78 37.06 3k84 n ASN 482 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3k84 n THR 483 N -2.62 0.63 -0.30 3.41 -2.24 -1.12 -4.56 114.28 107.48 3k84 n THR 483 Ca -0.03 -0.53 0.10 0.00 -2.27 0.00 0.00 64.05 61.32 3k84 n THR 483 Cb 0.24 -0.33 0.26 0.00 -2.10 0.00 0.00 70.33 68.40 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 0.55 0.00 -0.78 0.11 -1.88 -1.12 132.00 128.88 3k84 h PRO 484 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3k84 h PRO 484 Cb 1.47 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3k84 h PRO 484 CO 0.01 0.37 0.00 0.78 -0.21 0.00 0.00 178.00 178.95 3k84 h GLY 485 N 0.57 0.00 -1.09 -0.55 0.00 -1.80 -1.29 103.07 98.91 3k84 h GLY 485 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.83 3k84 h GLY 485 CO -0.41 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.67 3k84 n ARG 486 N -2.35 1.26 -3.03 4.80 1.74 -0.46 -4.35 116.66 114.27 3k84 n ARG 486 Ca -0.01 -1.46 -0.24 0.00 -0.77 0.00 0.00 57.85 55.37 3k84 n ARG 486 Cb 0.07 -1.25 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.66 3.84 0.07 7.54 0.00 -0.49 -4.39 120.51 127.75 3k84 n ALA 487 Ca 0.09 -4.31 0.02 0.00 0.00 0.00 0.00 53.44 49.24 3k84 n ALA 487 Cb 0.34 -0.80 0.36 0.00 0.00 0.00 0.00 19.45 19.36 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 2.39 1.18 -0.10 0.00 2.02 -1.82 -2.82 112.91 113.75 3k84 h THR 488 Ca 0.12 -0.73 0.01 0.00 0.77 0.00 0.00 66.41 66.59 3k84 h THR 488 Cb 0.65 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3k84 h THR 488 CO 0.72 0.24 0.07 1.23 0.37 0.00 0.00 175.52 178.15 3k84 h GLY 489 N 0.74 0.07 1.95 2.16 0.00 -1.91 -2.28 103.07 103.81 3k84 h GLY 489 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3k84 h GLY 489 CO 0.01 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.58 3k84 n ALA 490 N -2.54 1.41 1.05 3.60 0.00 -1.06 -1.98 120.51 120.99 3k84 n ALA 490 Ca -0.01 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.49 3k84 n ALA 490 Cb 0.13 -1.14 0.52 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.47 0.21 -0.36 0.00 0.24 -0.86 -4.09 118.33 112.00 3k84 n VAL 491 Ca 0.02 0.05 0.01 0.00 -2.04 0.00 0.00 64.34 62.39 3k84 n VAL 491 Cb 0.10 -0.75 0.16 0.00 -1.47 0.00 0.00 33.84 31.87 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 1.04 -0.44 -1.34 4.64 -1.64 0.21 113.55 116.02 3k84 h SER 492 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 3k84 h SER 492 Cb 0.08 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3k84 h SER 492 CO 0.00 0.69 0.01 1.88 -0.87 0.00 0.00 176.83 178.54 3k84 h TYR 493 N 1.20 0.89 0.02 4.77 0.05 -1.86 -3.16 116.97 118.87 3k84 h TYR 493 Ca 0.41 -0.13 -0.30 0.00 0.05 0.00 0.00 58.73 58.77 3k84 h TYR 493 Cb 0.09 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 37.55 3k84 h TYR 493 CO -0.00 0.81 -1.64 0.25 -1.05 0.00 0.00 178.16 176.53 3k84 n THR 494 N -4.21 1.56 -0.08 -2.88 -2.24 -1.01 -4.40 114.28 101.02 3k84 n THR 494 Ca 0.03 -0.19 0.23 0.00 -2.27 0.00 0.00 64.05 61.84 3k84 n THR 494 Cb 0.30 -1.95 0.68 0.00 -2.10 0.00 0.00 70.33 67.26 3k84 n THR 494 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 3k84 h MET 495 N -0.83 0.04 -0.71 -0.78 1.85 -0.55 -1.65 114.93 112.31 3k84 h MET 495 Ca -0.43 -0.00 0.07 0.00 -0.61 0.00 0.00 59.70 58.72 3k84 h MET 495 Cb 1.48 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 33.45 3k84 h MET 495 CO -0.21 0.03 0.46 1.25 -0.40 0.00 0.00 176.91 178.04 3k84 h LEU 496 N 0.04 0.63 0.00 3.39 5.85 -1.75 -1.91 115.31 121.56 3k84 h LEU 496 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.05 3k84 h LEU 496 Cb 1.23 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3k84 h LEU 496 CO -0.02 0.40 -0.59 -1.22 -0.34 0.00 0.00 178.44 176.67 3k84 n TYR 497 N -4.48 0.17 -0.05 1.25 4.01 -0.62 -1.64 117.16 115.80 3k84 n TYR 497 Ca 0.10 0.05 -0.15 0.00 -0.16 0.00 0.00 57.90 57.74 3k84 n TYR 497 Cb 0.24 -0.37 -0.07 0.00 -0.31 0.00 0.00 39.34 38.83 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 0.67 -0.11 7.72 4.21 -1.48 0.15 115.58 126.74 3k84 h ASN 498 Ca 0.00 -0.59 0.01 0.00 1.21 0.00 0.00 56.30 56.93 3k84 h ASN 498 Cb 0.59 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.58 3k84 h ASN 498 CO 0.00 1.15 0.03 0.00 -1.29 0.00 0.00 177.43 177.31 3k84 h LEU 500 N 0.08 0.00 -2.89 0.00 3.38 -1.40 -3.47 115.31 111.00 3k84 h LEU 500 Ca 0.05 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.64 3k84 h LEU 500 Cb 0.03 0.00 0.12 0.00 0.09 0.00 0.00 40.66 40.90 3k84 h LEU 500 CO -0.06 0.00 -0.91 -0.67 0.09 0.00 0.00 178.44 176.89 3k84 n ASP 501 N -3.00 -5.46 -4.63 -0.43 4.64 -0.04 -4.94 116.55 102.69 3k84 n ASP 501 Ca 0.03 -0.91 -0.31 0.00 -1.38 0.00 0.00 54.79 52.21 3k84 n ASP 501 Cb 0.42 -3.97 -0.09 0.00 -1.04 0.00 0.00 41.12 36.43 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 -3.46 2.92 0.28 -0.67 2.99 -0.73 -4.52 117.98 114.79 3k84 s PHE 502 Ca 0.44 -0.03 -0.30 0.00 0.00 0.00 0.00 56.93 57.04 3k84 s PHE 502 Cb -0.13 -1.57 -0.11 0.00 0.00 0.00 0.00 43.02 41.21 3k84 s PHE 502 CO 0.82 0.43 1.57 -1.25 -0.00 0.00 0.00 175.22 176.79 3k84 s PRO 503 N -1.83 4.15 -0.11 0.24 0.04 -1.24 -4.56 135.00 131.69 3k84 s PRO 503 Ca 0.21 2.53 -0.05 0.00 0.04 0.00 0.00 61.00 63.73 3k84 s PRO 503 Cb -0.11 -3.04 0.05 0.00 0.04 0.00 0.00 34.50 31.43 3k84 s PRO 503 CO 0.12 -0.60 0.25 0.00 0.04 0.00 0.00 177.00 176.81 3k84 s ALA 504 N 0.05 -0.58 0.28 8.56 0.00 -0.14 -2.20 121.76 127.72 3k84 s ALA 504 Ca 0.63 1.03 0.02 0.00 0.00 0.00 0.00 51.96 53.64 3k84 s ALA 504 Cb -0.47 -0.65 -0.06 0.00 0.00 0.00 0.00 23.12 21.94 3k84 s ALA 504 CO 0.47 -0.21 0.08 0.20 0.00 0.00 0.00 175.76 176.30 3k84 s GLY 505 N 1.28 1.86 0.06 0.00 0.00 0.07 -0.48 107.32 110.11 3k84 s GLY 505 Ca -0.09 -1.94 0.06 0.00 0.00 0.00 0.00 44.72 42.75 3k84 s GLY 505 CO -0.09 -1.68 -0.16 -1.34 0.00 0.00 0.00 173.10 169.83 3k84 s VAL 506 N -3.58 1.31 -0.06 1.40 -7.23 -0.50 -0.15 120.40 111.59 3k84 s VAL 506 Ca 0.37 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 59.36 3k84 s VAL 506 Cb 0.08 -1.20 0.02 0.00 0.56 0.00 0.00 36.38 35.85 3k84 s VAL 506 CO 0.14 -0.02 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.15 3k84 s VAL 507 N -0.98 0.79 0.16 1.32 1.01 -0.96 -2.71 120.40 119.02 3k84 s VAL 507 Ca 0.03 -0.24 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 3k84 s VAL 507 Cb -0.09 -0.78 -0.10 0.00 0.00 0.00 0.00 36.38 35.41 3k84 s VAL 507 CO 0.02 0.29 1.52 -2.84 0.00 0.00 0.00 175.10 174.09 3k84 s PRO 508 N 1.03 4.24 0.00 2.72 0.02 -1.26 -2.33 135.00 139.42 3k84 s PRO 508 Ca -0.09 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.22 3k84 s PRO 508 Cb -0.14 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.20 3k84 s PRO 508 CO -0.00 -0.56 0.00 1.33 -0.33 0.00 0.00 177.00 177.44 3k84 n VAL 509 N 3.89 0.00 -3.49 3.83 0.24 -0.64 -4.83 118.33 117.32 3k84 n VAL 509 Ca 0.13 -0.06 -0.06 0.00 -2.04 0.00 0.00 64.34 62.31 3k84 n VAL 509 Cb 0.39 0.51 0.02 0.00 -1.47 0.00 0.00 33.84 33.29 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 -1.22 0.00 -4.15 3.34 5.66 -1.04 -4.82 114.28 112.04 3k84 n THR 510 Ca 0.00 -0.62 -0.16 0.00 -3.05 0.00 0.00 64.05 60.22 3k84 n THR 510 Cb 0.00 0.61 -0.12 0.00 -1.55 0.00 0.00 70.33 69.27 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 -2.45 0.96 0.09 1.09 -4.23 -1.26 -1.51 115.64 108.33 3k84 s THR 511 Ca 0.10 -1.36 -0.31 0.00 -1.18 0.00 0.00 61.69 58.94 3k84 s THR 511 Cb -0.03 -1.07 -0.09 0.00 1.34 0.00 0.00 72.50 72.65 3k84 s THR 511 CO 0.07 -0.35 1.62 -0.69 -0.54 0.00 0.00 174.62 174.74 3k84 s VAL 512 N -1.62 2.94 0.39 2.29 1.01 0.21 -4.85 120.40 120.76 3k84 s VAL 512 Ca -0.01 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.47 3k84 s VAL 512 Cb -0.08 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 3k84 s VAL 512 CO 0.01 0.01 0.58 0.42 0.00 0.00 0.00 175.10 176.13 3k84 s THR 513 N 2.22 4.45 0.31 3.92 -4.23 -1.26 -0.04 115.64 121.01 3k84 s THR 513 Ca 0.73 -0.59 0.04 0.00 -1.18 0.00 0.00 61.69 60.69 3k84 s THR 513 Cb -0.41 -3.62 0.30 0.00 1.34 0.00 0.00 72.50 70.11 3k84 s THR 513 CO 0.32 -0.38 1.84 0.00 -0.54 0.00 0.00 174.62 175.86 3k84 h ALA 514 N 0.63 1.64 -0.14 3.99 0.00 -1.97 -1.01 119.26 122.40 3k84 h ALA 514 Ca -0.48 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.47 3k84 h ALA 514 Cb 1.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3k84 h ALA 514 CO 0.58 0.10 0.07 1.49 0.00 0.00 0.00 179.25 181.49 3k84 h GLU 515 N 0.88 0.14 -0.79 0.00 4.81 -1.99 -0.43 114.58 117.20 3k84 h GLU 515 Ca 0.49 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.76 3k84 h GLU 515 Cb 0.60 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 3k84 h GLU 515 CO -0.25 0.09 0.49 -0.44 -0.73 0.00 0.00 179.01 178.16 3k84 h ASP 516 N 0.15 0.77 -0.15 1.04 3.45 -1.76 -2.71 116.42 117.21 3k84 h ASP 516 Ca 0.06 0.01 -0.16 0.00 0.43 0.00 0.00 57.03 57.37 3k84 h ASP 516 Cb 0.01 -0.15 0.01 0.00 -0.56 0.00 0.00 39.33 38.64 3k84 h ASP 516 CO -0.04 0.51 -0.51 -0.78 -1.57 0.00 0.00 179.24 176.85 3k84 h ASP 517 N 0.91 0.72 -0.63 6.45 3.58 -0.97 -2.93 116.42 123.55 3k84 h ASP 517 Ca 0.33 -0.60 0.03 0.00 0.42 0.00 0.00 57.03 57.21 3k84 h ASP 517 Cb 0.11 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 3k84 h ASP 517 CO -0.15 1.20 0.42 0.00 -2.88 0.00 0.00 179.24 177.83 3k84 h ALA 518 N 0.54 1.65 0.00 -0.78 0.00 -1.05 -2.26 119.26 117.35 3k84 h ALA 518 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3k84 h ALA 518 Cb 1.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3k84 h ALA 518 CO 0.11 0.29 0.00 1.96 0.00 0.00 0.00 179.25 181.61 3k84 h GLN 519 N 0.76 0.00 -0.00 0.00 4.20 -1.29 -2.47 115.11 116.30 3k84 h GLN 519 Ca 0.25 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 3k84 h GLN 519 Cb 0.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3k84 h GLN 519 CO -0.07 0.00 0.01 0.52 -0.67 0.00 0.00 178.83 178.63 3k84 h MET 520 N 0.00 0.00 0.00 1.46 2.86 -1.39 -1.80 114.93 116.06 3k84 h MET 520 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3k84 h MET 520 Cb 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 3k84 h MET 520 CO 0.00 0.00 -0.06 0.93 1.06 0.00 0.00 176.91 178.84 3k84 h GLU 521 N 0.00 0.00 -0.25 1.72 4.39 -1.63 -2.45 114.58 116.36 3k84 h GLU 521 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3k84 h GLU 521 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3k84 h GLU 521 CO -0.00 0.06 0.00 1.28 -1.16 0.00 0.00 179.01 179.19 3k84 n LEU 522 N -3.25 2.69 -4.68 1.33 4.77 -0.68 -4.94 117.00 112.25 3k84 n LEU 522 Ca -0.01 -1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 54.46 3k84 n LEU 522 Cb 0.28 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3k84 n LEU 522 CO 0.28 0.55 0.67 -0.47 -1.33 0.00 0.00 177.39 177.09 3k84 s TYR 523 N -1.69 3.47 -0.04 -1.77 6.14 -0.92 -4.93 117.35 117.61 3k84 s TYR 523 Ca 0.35 1.40 0.10 0.00 0.64 0.00 0.00 57.07 59.56 3k84 s TYR 523 Cb 0.21 -3.07 -0.15 0.00 0.42 0.00 0.00 41.96 39.36 3k84 s TYR 523 CO 0.30 -0.21 0.17 1.63 0.64 0.00 0.00 175.55 178.07 3k84 n LYS 524 N 5.05 0.95 -0.29 4.97 4.01 -1.26 -4.98 118.16 126.60 3k84 n LYS 524 Ca 0.06 -0.07 0.04 0.00 -0.51 0.00 0.00 58.31 57.83 3k84 n LYS 524 Cb 0.49 -1.24 -0.02 0.00 -0.51 0.00 0.00 35.03 33.75 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 2.07 -2.49 0.16 0.72 0.00 -1.26 -4.17 105.19 100.22 3k84 n GLY 525 Ca -0.06 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.29 0.00 0.00 1.61 0.05 -1.94 -3.39 116.97 113.01 3k84 h TYR 526 Ca -0.03 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.70 3k84 h TYR 526 Cb 0.28 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 3k84 h TYR 526 CO 0.01 0.00 -1.19 1.19 -1.05 0.00 0.00 178.16 177.12 3k84 n PHE 527 N -2.75 0.00 -1.18 4.88 3.01 -1.26 -5.04 117.46 115.13 3k84 n PHE 527 Ca 0.03 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.43 3k84 n PHE 527 Cb 0.50 -0.13 -0.03 0.00 -0.01 0.00 0.00 39.48 39.81 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 2.89 0.80 3.75 1.37 0.00 -1.26 -5.03 105.19 107.71 3k84 n GLY 528 Ca -0.05 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.39 3k84 n GLY 528 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k84 n ASP 529 N -0.04 0.45 -0.16 1.61 3.85 -1.26 -4.80 116.55 116.20 3k84 n ASP 529 Ca -0.06 -1.65 0.11 0.00 -0.71 0.00 0.00 54.79 52.47 3k84 n ASP 529 Cb 0.31 -0.88 0.43 0.00 -1.35 0.00 0.00 41.12 39.63 3k84 n ASP 529 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.20 176.35 3k84 h ILE 530 N -1.41 0.91 -0.72 2.12 3.07 -1.95 -1.69 117.51 117.83 3k84 h ILE 530 Ca -0.39 -0.20 -0.01 0.00 1.55 0.00 0.00 64.86 65.81 3k84 h ILE 530 Cb 1.16 0.29 -0.03 0.00 -0.27 0.00 0.00 36.82 37.96 3k84 h ILE 530 CO 0.31 0.10 0.40 -0.50 -1.05 0.00 0.00 178.15 177.41 3k84 h TRP 531 N 0.57 0.99 -0.53 0.16 6.55 -1.93 0.18 115.95 121.93 3k84 h TRP 531 Ca 0.33 -0.02 -0.12 0.00 0.95 0.00 0.00 58.89 60.03 3k84 h TRP 531 Cb 0.53 -0.32 -0.02 0.00 -0.86 0.00 0.00 29.16 28.50 3k84 h TRP 531 CO -0.00 0.70 -0.13 -0.44 -1.05 0.00 0.00 178.44 177.52 3k84 h ASP 532 N 0.99 1.03 -0.25 -3.49 3.45 -1.68 -1.84 116.42 114.63 3k84 h ASP 532 Ca 0.25 -0.35 -0.11 0.00 0.43 0.00 0.00 57.03 57.25 3k84 h ASP 532 Cb 0.03 -0.28 -0.00 0.00 -0.56 0.00 0.00 39.33 38.52 3k84 h ASP 532 CO -0.04 1.15 -0.29 0.40 -1.57 0.00 0.00 179.24 178.89 3k84 h ILE 533 N 0.91 1.31 -0.37 0.35 2.04 -0.84 -1.65 117.51 119.26 3k84 h ILE 533 Ca 0.14 -1.47 -0.04 0.00 1.00 0.00 0.00 64.86 64.48 3k84 h ILE 533 Cb 0.70 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 3k84 h ILE 533 CO 0.05 0.46 0.05 0.40 0.00 0.00 0.00 178.15 179.12 3k84 h ILE 534 N 0.36 1.24 -0.39 -0.67 1.08 -0.70 -3.04 117.51 115.39 3k84 h ILE 534 Ca 0.04 -0.86 -0.01 0.00 -0.39 0.00 0.00 64.86 63.64 3k84 h ILE 534 Cb 0.86 1.09 -0.02 0.00 -3.07 0.00 0.00 36.82 35.68 3k84 h ILE 534 CO 0.07 0.29 0.21 0.25 -0.69 0.00 0.00 178.15 178.28 3k84 h LEU 535 N 0.45 0.50 -0.02 1.44 5.85 -1.26 -0.89 115.31 121.38 3k84 h LEU 535 Ca 0.11 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3k84 h LEU 535 Cb 0.37 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3k84 h LEU 535 CO 0.01 0.46 -0.42 0.50 -0.34 0.00 0.00 178.44 178.64 3k84 h LYS 536 N 0.50 -0.55 -0.64 1.25 3.64 -1.32 -1.06 116.57 118.38 3k84 h LYS 536 Ca 0.14 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 3k84 h LYS 536 Cb 0.08 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 3k84 h LYS 536 CO -0.02 -0.36 0.38 -0.22 -2.27 0.00 0.00 179.45 176.95 3k84 h LYS 537 N -0.57 0.71 -0.25 1.90 3.64 -1.44 -3.10 116.57 117.46 3k84 h LYS 537 Ca 0.05 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3k84 h LYS 537 Cb 0.65 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3k84 h LYS 537 CO -0.33 0.47 -0.16 0.00 -2.27 0.00 0.00 179.45 177.16 3k84 h ALA 538 N 1.30 1.26 -0.01 5.00 0.00 -0.61 -2.73 119.26 123.48 3k84 h ALA 538 Ca 0.27 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k84 h ALA 538 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3k84 h ALA 538 CO -0.14 0.49 -0.09 -1.33 0.00 0.00 0.00 179.25 178.18 3k84 n MET 539 N -4.19 0.96 -1.76 0.00 2.81 -0.45 -1.94 117.12 112.55 3k84 n MET 539 Ca 0.00 -0.39 -0.29 0.00 -1.81 0.00 0.00 57.70 55.21 3k84 n MET 539 Cb 0.33 -1.49 0.09 0.00 -0.71 0.00 0.00 33.22 31.44 3k84 n MET 539 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3k84 s LYS 540 N -2.31 1.94 -1.30 0.03 1.02 -1.03 -4.25 119.74 113.85 3k84 s LYS 540 Ca 0.33 0.29 -0.03 0.00 0.02 0.00 0.00 55.97 56.58 3k84 s LYS 540 Cb 0.20 -1.93 -0.00 0.00 -0.52 0.00 0.00 37.83 35.58 3k84 s LYS 540 CO 0.43 -1.65 0.66 -1.71 -0.92 0.00 0.00 175.35 172.16 3k84 n ASN 541 N -3.39 -1.71 -0.06 2.83 5.15 -1.26 -4.90 115.26 111.92 3k84 n ASN 541 Ca 0.07 -0.88 0.04 0.00 -0.60 0.00 0.00 54.58 53.21 3k84 n ASN 541 Cb 0.59 -3.79 0.05 0.00 -0.53 0.00 0.00 39.78 36.10 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 -3.00 1.82 -4.65 1.20 7.64 -1.26 -5.06 113.62 110.30 3k84 n SER 542 Ca -0.27 -2.30 -0.46 0.00 1.01 0.00 0.00 58.87 56.86 3k84 n SER 542 Cb 0.67 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 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 -0.76 0.91 -0.05 0.44 0.31 -1.26 -1.25 118.33 116.67 3k84 n VAL 543 Ca 0.06 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3k84 n VAL 543 Cb 0.44 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 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 2.16 1.97 3.82 2.92 0.00 0.94 -4.95 105.19 112.05 3k84 n GLY 544 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 4.08 0.43 0.99 1.43 -0.38 -4.65 118.68 120.58 3k84 s LEU 545 Ca 0.00 1.61 -0.24 0.00 -1.03 0.00 0.00 54.13 54.47 3k84 s LEU 545 Cb 0.00 -4.26 -0.08 0.00 0.03 0.00 0.00 46.19 41.88 3k84 s LEU 545 CO 0.00 -0.24 1.13 -2.16 0.23 0.00 0.00 176.35 175.32 3k84 s PRO 546 N -2.81 3.93 -0.04 1.29 0.04 -1.26 -0.61 135.00 135.54 3k84 s PRO 546 Ca 0.56 1.71 0.03 0.00 0.04 0.00 0.00 61.00 63.34 3k84 s PRO 546 Cb -0.12 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.93 3k84 s PRO 546 CO 0.17 -0.39 -0.11 0.08 0.04 0.00 0.00 177.00 176.79 3k84 s VAL 547 N -1.56 0.93 0.49 -0.36 1.01 -0.57 -4.60 120.40 115.74 3k84 s VAL 547 Ca 0.61 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 62.22 3k84 s VAL 547 Cb -0.27 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.29 3k84 s VAL 547 CO 0.33 0.29 0.32 0.00 0.00 0.00 0.00 175.10 176.04 3k84 s ALA 548 N 0.27 4.18 0.29 5.51 0.00 -1.26 -1.62 121.76 129.13 3k84 s ALA 548 Ca -0.05 -1.46 0.09 0.00 0.00 0.00 0.00 51.96 50.53 3k84 s ALA 548 Cb -0.10 -0.64 -0.06 0.00 0.00 0.00 0.00 23.12 22.32 3k84 s ALA 548 CO 0.01 -0.32 -0.11 0.14 0.00 0.00 0.00 175.76 175.48 3k84 s VAL 549 N -2.70 1.99 -0.08 0.00 -7.23 -0.99 -3.94 120.40 107.45 3k84 s VAL 549 Ca 0.35 -2.21 -0.01 0.00 -1.81 0.00 0.00 61.98 58.31 3k84 s VAL 549 Cb -0.01 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 3k84 s VAL 549 CO 0.21 -0.33 -0.04 -1.58 -0.31 0.00 0.00 175.10 173.06 3k84 s GLN 550 N -3.64 2.93 -0.12 4.82 0.74 -0.47 -2.25 119.66 121.66 3k84 s GLN 550 Ca 0.30 -0.49 0.03 0.00 0.05 0.00 0.00 55.36 55.25 3k84 s GLN 550 Cb 0.01 -2.70 0.01 0.00 1.10 0.00 0.00 33.01 31.43 3k84 s GLN 550 CO 0.13 0.64 -0.22 0.00 -0.55 0.00 0.00 175.29 175.30 3k84 s VAL 552 N 0.69 1.20 0.34 0.00 1.01 -0.17 -0.75 120.40 122.71 3k84 s VAL 552 Ca -0.11 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 60.94 3k84 s VAL 552 Cb -0.16 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3k84 s VAL 552 CO 0.01 0.07 0.20 0.00 0.00 0.00 0.00 175.10 175.39 3k84 s ALA 553 N -0.78 2.11 0.83 5.51 0.00 -0.94 -0.91 121.76 127.57 3k84 s ALA 553 Ca 0.03 -1.76 -0.11 0.00 0.00 0.00 0.00 51.96 50.12 3k84 s ALA 553 Cb -0.08 1.22 0.09 0.00 0.00 0.00 0.00 23.12 24.35 3k84 s ALA 553 CO 0.01 -0.54 1.09 -0.51 0.00 0.00 0.00 175.76 175.81 3k84 s LEU 554 N -3.42 2.53 0.37 0.00 1.43 -1.26 -3.72 118.68 114.61 3k84 s LEU 554 Ca 0.35 1.41 -0.26 0.00 -1.03 0.00 0.00 54.13 54.60 3k84 s LEU 554 Cb 0.03 -3.97 -0.12 0.00 0.03 0.00 0.00 46.19 42.16 3k84 s LEU 554 CO 0.21 -2.18 1.01 -2.65 0.23 0.00 0.00 176.35 172.97 3k84 n PRO 555 N -3.58 1.39 -1.18 1.29 -0.02 -1.26 -1.76 135.00 129.88 3k84 n PRO 555 Ca 0.07 0.49 -0.06 0.00 -2.02 0.00 0.00 63.50 61.98 3k84 n PRO 555 Cb 0.56 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 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 -0.20 0.00 -2.38 6.00 7.02 -1.26 -4.92 117.44 121.69 3k84 n TRP 556 Ca 0.09 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.24 3k84 n TRP 556 Cb 0.37 -1.89 0.01 0.00 -2.42 0.00 0.00 31.31 27.38 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 -1.25 3.40 -0.07 -0.99 1.13 -0.72 -4.75 117.38 114.13 3k84 n GLN 557 Ca -0.06 -4.25 -0.03 0.00 -1.94 0.00 0.00 57.00 50.71 3k84 n GLN 557 Cb 0.40 -2.28 0.19 0.00 0.11 0.00 0.00 30.24 28.67 3k84 n GLN 557 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3k84 h GLU 558 N 2.95 0.69 -0.37 -1.09 3.07 -1.91 -1.54 114.58 116.37 3k84 h GLU 558 Ca 0.39 -0.19 -0.07 0.00 -0.50 0.00 0.00 59.36 58.99 3k84 h GLU 558 Cb 0.50 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.32 3k84 h GLU 558 CO 1.07 0.73 -0.06 0.93 -1.40 0.00 0.00 179.01 180.29 3k84 h GLU 559 N 0.65 0.70 -0.47 2.33 3.07 -1.91 0.14 114.58 119.09 3k84 h GLU 559 Ca 0.12 -0.25 -0.13 0.00 -0.50 0.00 0.00 59.36 58.60 3k84 h GLU 559 Cb 0.46 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 3k84 h GLU 559 CO 0.02 0.83 -0.22 1.25 -1.40 0.00 0.00 179.01 179.50 3k84 h LEU 560 N 0.50 0.98 -0.64 1.33 5.85 -1.78 0.18 115.31 121.73 3k84 h LEU 560 Ca 0.10 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3k84 h LEU 560 Cb 0.56 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3k84 h LEU 560 CO 0.03 1.15 0.42 0.00 -0.34 0.00 0.00 178.44 179.70 3k84 h LEU 562 N 0.87 0.89 -0.93 0.00 3.38 -0.75 -0.57 115.31 118.20 3k84 h LEU 562 Ca 0.23 -0.40 0.20 0.00 0.09 0.00 0.00 57.88 58.01 3k84 h LEU 562 Cb -0.09 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 40.30 3k84 h LEU 562 CO -0.05 1.09 0.49 -0.09 0.09 0.00 0.00 178.44 179.97 3k84 h ARG 563 N 0.68 0.54 0.01 1.13 1.12 -0.40 0.38 114.38 117.85 3k84 h ARG 563 Ca 0.09 -0.03 -0.16 0.00 -1.11 0.00 0.00 59.98 58.77 3k84 h ARG 563 Cb 0.75 -0.12 0.01 0.00 -0.01 0.00 0.00 29.97 30.60 3k84 h ARG 563 CO 0.06 0.36 -0.63 0.35 -3.11 0.00 0.00 179.97 177.00 3k84 h PHE 564 N 0.56 0.62 -0.56 2.20 -0.00 -0.88 -2.26 116.94 116.62 3k84 h PHE 564 Ca 0.56 -0.34 0.07 0.00 -0.00 0.00 0.00 57.97 58.25 3k84 h PHE 564 Cb 0.97 -0.07 -0.06 0.00 -0.00 0.00 0.00 35.95 36.79 3k84 h PHE 564 CO -0.07 1.17 0.24 0.52 -0.00 0.00 0.00 178.31 180.17 3k84 h MET 565 N -0.10 0.44 -0.89 1.11 2.86 -0.81 -0.54 114.93 116.99 3k84 h MET 565 Ca -0.08 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.60 3k84 h MET 565 Cb 1.35 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.85 3k84 h MET 565 CO 0.12 0.29 0.56 -0.09 1.06 0.00 0.00 176.91 178.85 3k84 h ARG 566 N 0.45 0.98 -0.49 1.72 2.43 -0.23 -0.22 114.38 119.02 3k84 h ARG 566 Ca 0.27 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.30 3k84 h ARG 566 Cb 0.26 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3k84 h ARG 566 CO -0.23 0.65 -0.00 1.49 -1.51 0.00 0.00 179.97 180.36 3k84 h GLU 567 N 1.01 0.87 -0.23 0.20 4.57 -0.74 -1.83 114.58 118.43 3k84 h GLU 567 Ca 0.39 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 3k84 h GLU 567 Cb 0.19 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3k84 h GLU 567 CO -0.18 0.91 0.10 0.28 -1.18 0.00 0.00 179.01 178.94 3k84 h VAL 568 N 0.73 1.16 -0.55 0.32 2.07 -0.73 -2.28 116.25 116.97 3k84 h VAL 568 Ca 0.14 -0.48 0.05 0.00 0.82 0.00 0.00 66.70 67.22 3k84 h VAL 568 Cb 0.52 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 3k84 h VAL 568 CO 0.03 0.16 0.29 -0.08 0.02 0.00 0.00 177.57 177.99 3k84 h GLU 569 N 0.22 0.54 -0.54 1.57 4.81 -0.97 -1.17 114.58 119.05 3k84 h GLU 569 Ca 0.08 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 3k84 h GLU 569 Cb 0.16 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3k84 h GLU 569 CO -0.01 0.36 -0.05 0.37 -0.73 0.00 0.00 179.01 178.95 3k84 h GLN 570 N 0.56 0.98 -0.04 1.92 -0.00 -1.27 0.20 115.11 117.47 3k84 h GLN 570 Ca 0.24 -0.34 -0.16 0.00 -0.00 0.00 0.00 58.65 58.39 3k84 h GLN 570 Cb 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.53 3k84 h GLN 570 CO -0.16 1.01 -0.71 -0.07 0.00 0.00 0.00 178.83 178.91 3k84 h LEU 571 N 0.86 0.24 0.00 -2.39 3.38 -1.19 -3.02 115.31 113.19 3k84 h LEU 571 Ca 0.15 -0.16 -0.36 0.00 0.09 0.00 0.00 57.88 57.59 3k84 h LEU 571 Cb 0.61 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 3k84 h LEU 571 CO 0.04 0.87 -2.33 0.23 0.09 0.00 0.00 178.44 177.34 3k84 n MET 572 N -3.78 0.68 -3.27 1.13 2.81 -0.46 -4.71 117.12 109.51 3k84 n MET 572 Ca -0.03 0.04 -0.25 0.00 -1.81 0.00 0.00 57.70 55.65 3k84 n MET 572 Cb 0.69 -1.55 -0.08 0.00 -0.71 0.00 0.00 33.22 31.57 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 -2.83 -0.93 0.30 2.03 -2.24 0.71 -4.95 114.28 106.37 3k84 n THR 573 Ca -0.33 -3.69 0.16 0.00 -2.27 0.00 0.00 64.05 57.91 3k84 n THR 573 Cb 1.13 -1.77 0.72 0.00 -2.10 0.00 0.00 70.33 68.32 3k84 n THR 573 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3k84 h PRO 574 N 4.76 0.00 -0.00 -0.78 0.11 -1.59 -2.67 132.00 131.83 3k84 h PRO 574 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3k84 h PRO 574 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3k84 h PRO 574 CO 0.41 0.00 -0.26 1.04 -0.21 0.00 0.00 178.00 178.99 3k84 n GLN 575 N -2.67 0.01 0.26 1.05 1.13 -1.26 -3.45 117.38 112.45 3k84 n GLN 575 Ca -0.00 -0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.20 3k84 n GLN 575 Cb 0.18 -1.50 0.65 0.00 0.11 0.00 0.00 30.24 29.68 3k84 n GLN 575 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3k84 h LYS 576 N 0.00 0.00 -5.24 -1.09 1.79 -1.80 -3.44 116.57 106.79 3k84 h LYS 576 Ca 0.00 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.03 3k84 h LYS 576 Cb 0.50 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.01 3k84 h LYS 576 CO 0.00 0.10 -0.64 1.14 -1.08 0.00 0.00 179.45 178.97 3k84 s GLN 577 N -3.78 1.53 0.00 3.15 -2.07 -1.22 -4.96 119.66 112.30 3k84 s GLN 577 Ca -0.00 -1.81 0.22 0.00 -1.82 0.00 0.00 55.36 51.95 3k84 s GLN 577 Cb 0.10 -0.84 1.32 0.00 -1.09 0.00 0.00 33.01 32.50 3k84 s GLN 577 CO 0.57 -0.11 1.69 -0.35 -1.32 0.00 0.00 175.29 175.77