#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k83 n ARG 34 N 0.00 0.61 -0.10 1.61 5.12 -1.26 -4.81 116.66 117.82 3k83 n ARG 34 Ca 0.00 -1.94 -0.11 0.00 -1.93 0.00 0.00 57.85 53.87 3k83 n ARG 34 Cb 0.00 -0.88 -0.03 0.00 -1.16 0.00 0.00 32.46 30.39 3k83 n ARG 34 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 3k83 h GLN 35 N 0.27 0.50 -0.48 5.56 4.20 -1.99 0.45 115.11 123.63 3k83 h GLN 35 Ca -0.03 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.59 3k83 h GLN 35 Cb 1.30 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.97 3k83 h GLN 35 CO 0.02 0.61 0.21 -0.22 -0.67 0.00 0.00 178.83 178.77 3k83 h LYS 36 N 0.32 0.39 -0.27 1.46 3.64 -1.91 -1.01 116.57 119.20 3k83 h LYS 36 Ca 0.09 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.34 3k83 h LYS 36 Cb 0.35 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3k83 h LYS 36 CO 0.01 0.26 -0.28 0.00 -2.27 0.00 0.00 179.45 177.17 3k83 h ALA 37 N 1.29 1.00 -0.42 5.00 0.00 -1.68 -1.22 119.26 123.23 3k83 h ALA 37 Ca 0.22 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3k83 h ALA 37 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3k83 h ALA 37 CO -0.19 0.59 -0.09 0.00 0.00 0.00 0.00 179.25 179.56 3k83 h ARG 38 N 0.48 0.73 -0.32 0.00 3.08 -0.61 -1.78 114.38 115.96 3k83 h ARG 38 Ca 0.06 -0.23 -0.16 0.00 0.07 0.00 0.00 59.98 59.73 3k83 h ARG 38 Cb 0.74 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3k83 h ARG 38 CO 0.06 0.80 -0.43 0.78 -1.07 0.00 0.00 179.97 180.11 3k83 h GLY 39 N 0.97 0.89 0.99 0.04 0.00 -0.81 -1.37 103.07 103.79 3k83 h GLY 39 Ca 0.12 -0.94 -0.04 0.00 0.00 0.00 0.00 47.33 46.46 3k83 h GLY 39 CO 0.03 0.85 0.19 0.00 0.00 0.00 0.00 176.54 177.61 3k83 h ALA 40 N 0.85 0.75 -0.65 3.60 0.00 -1.10 -1.35 119.26 121.35 3k83 h ALA 40 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3k83 h ALA 40 Cb 1.00 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3k83 h ALA 40 CO 0.10 0.40 0.33 0.00 0.00 0.00 0.00 179.25 180.08 3k83 h ALA 41 N 1.05 0.84 -0.46 0.00 0.00 -1.22 0.31 119.26 119.78 3k83 h ALA 41 Ca 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k83 h ALA 41 Cb 0.27 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3k83 h ALA 41 CO -0.01 0.38 0.29 1.15 0.00 0.00 0.00 179.25 181.06 3k83 h THR 42 N 0.89 1.14 -0.06 0.00 2.02 -1.02 -1.21 112.91 114.68 3k83 h THR 42 Ca 0.23 -0.29 -0.17 0.00 0.77 0.00 0.00 66.41 66.95 3k83 h THR 42 Cb 0.09 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3k83 h THR 42 CO -0.03 0.14 -0.70 0.03 0.37 0.00 0.00 175.52 175.33 3k83 h ARG 43 N 0.62 0.29 -0.47 6.66 3.08 -1.08 -2.70 114.38 120.77 3k83 h ARG 43 Ca 0.17 -0.23 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 3k83 h ARG 43 Cb -0.03 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3k83 h ARG 43 CO -0.03 0.87 -0.21 0.00 -1.07 0.00 0.00 179.97 179.53 3k83 h ALA 44 N 1.07 0.66 -0.17 0.04 0.00 -0.75 -1.60 119.26 118.52 3k83 h ALA 44 Ca -0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3k83 h ALA 44 Cb 1.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3k83 h ALA 44 CO 0.11 0.65 -0.33 0.00 0.00 0.00 0.00 179.25 179.68 3k83 h ARG 45 N 0.83 0.34 -0.32 0.00 3.08 -1.21 0.12 114.38 117.21 3k83 h ARG 45 Ca 0.11 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 3k83 h ARG 45 Cb 0.79 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 3k83 h ARG 45 CO 0.07 0.63 -0.41 0.37 -1.07 0.00 0.00 179.97 179.56 3k83 h GLN 46 N 0.29 0.79 -0.22 0.04 5.75 -1.34 -1.06 115.11 119.36 3k83 h GLN 46 Ca 0.04 -0.42 -0.06 0.00 -0.15 0.00 0.00 58.65 58.06 3k83 h GLN 46 Cb 0.72 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 3k83 h GLN 46 CO 0.06 1.05 -0.11 0.87 -2.65 0.00 0.00 178.83 178.05 3k83 h LYS 47 N 0.64 0.45 0.06 1.69 1.57 -0.91 -1.60 116.57 118.47 3k83 h LYS 47 Ca 0.05 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 3k83 h LYS 47 Cb 0.97 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 3k83 h LYS 47 CO 0.09 0.74 -0.21 0.37 -0.57 0.00 0.00 179.45 179.86 3k83 h GLN 48 N 0.16 -0.36 -0.86 3.15 4.15 -0.95 -0.16 115.11 120.25 3k83 h GLN 48 Ca 0.05 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.63 3k83 h GLN 48 Cb 0.60 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 28.28 3k83 h GLN 48 CO 0.03 -0.24 0.46 -0.09 -1.93 0.00 0.00 178.83 177.06 3k83 h ARG 49 N -0.37 0.66 -0.12 1.69 2.43 -1.19 -1.41 114.38 116.07 3k83 h ARG 49 Ca 0.04 -0.04 -0.22 0.00 -0.81 0.00 0.00 59.98 58.96 3k83 h ARG 49 Cb 0.42 -0.15 0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3k83 h ARG 49 CO -0.16 0.43 -0.79 0.00 -1.51 0.00 0.00 179.97 177.95 3k83 h ALA 50 N 1.54 0.39 -0.26 2.80 0.00 -0.97 -1.49 119.26 121.27 3k83 h ALA 50 Ca 0.46 -0.61 0.06 0.00 0.00 0.00 0.00 54.91 54.82 3k83 h ALA 50 Cb 0.60 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 3k83 h ALA 50 CO -0.34 0.71 -0.20 0.77 0.00 0.00 0.00 179.25 180.20 3k83 h SER 51 N 0.45 -0.64 -0.85 0.00 0.02 -0.67 0.11 113.55 111.96 3k83 h SER 51 Ca -0.05 0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3k83 h SER 51 Cb 1.40 0.32 -0.04 0.00 0.14 0.00 0.00 62.40 64.22 3k83 h SER 51 CO 0.15 -0.23 0.52 -0.07 -1.14 0.00 0.00 176.83 176.05 3k83 h LEU 52 N -0.18 1.02 -0.40 5.07 3.38 -1.13 0.12 115.31 123.18 3k83 h LEU 52 Ca 0.14 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3k83 h LEU 52 Cb 0.40 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3k83 h LEU 52 CO -0.37 0.78 0.16 -0.08 0.09 0.00 0.00 178.44 179.02 3k83 h GLU 53 N 1.17 0.60 -0.77 1.13 4.57 -0.96 -1.61 114.58 118.70 3k83 h GLU 53 Ca 0.31 -0.11 0.03 0.00 -1.18 0.00 0.00 59.36 58.41 3k83 h GLU 53 Cb -0.05 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.39 3k83 h GLU 53 CO -0.06 0.56 0.49 1.15 -1.18 0.00 0.00 179.01 179.97 3k83 h THR 54 N 0.50 1.12 -0.25 0.32 2.02 0.00 -1.84 112.91 114.78 3k83 h THR 54 Ca 0.13 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 3k83 h THR 54 Cb 0.19 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3k83 h THR 54 CO -0.01 0.17 0.15 0.24 0.37 0.00 0.00 175.52 176.44 3k83 h MET 55 N 0.95 0.33 -0.15 6.66 2.86 -0.67 -1.89 114.93 123.03 3k83 h MET 55 Ca 0.31 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.94 3k83 h MET 55 Cb 0.01 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3k83 h MET 55 CO -0.11 0.26 0.01 0.22 1.06 0.00 0.00 176.91 178.35 3k83 h ASP 56 N 0.31 -0.04 -0.62 1.22 3.58 -0.99 0.00 116.42 119.88 3k83 h ASP 56 Ca 0.09 0.03 0.08 0.00 0.42 0.00 0.00 57.03 57.65 3k83 h ASP 56 Cb 0.01 0.05 -0.06 0.00 1.72 0.00 0.00 39.33 41.05 3k83 h ASP 56 CO -0.02 0.00 0.28 0.11 -2.88 0.00 0.00 179.24 176.74 3k83 h LYS 57 N 0.06 0.49 -0.39 0.28 1.57 -1.21 0.22 116.57 117.58 3k83 h LYS 57 Ca 0.07 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3k83 h LYS 57 Cb 0.08 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3k83 h LYS 57 CO -0.11 0.32 0.07 0.00 -0.57 0.00 0.00 179.45 179.17 3k83 h ALA 58 N 1.39 0.52 -0.29 3.86 0.00 -0.88 -1.91 119.26 121.94 3k83 h ALA 58 Ca 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3k83 h ALA 58 Cb 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3k83 h ALA 58 CO -0.26 0.22 0.14 0.28 0.00 0.00 0.00 179.25 179.64 3k83 h VAL 59 N 0.50 1.15 -0.75 0.00 2.07 -0.53 -0.96 116.25 117.74 3k83 h VAL 59 Ca 0.12 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 3k83 h VAL 59 Cb 0.35 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3k83 h VAL 59 CO 0.01 0.15 0.25 1.56 0.02 0.00 0.00 177.57 179.55 3k83 h GLN 60 N 0.34 1.15 -0.27 1.57 1.08 -0.46 -0.58 115.11 117.93 3k83 h GLN 60 Ca 0.10 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.05 3k83 h GLN 60 Cb 0.11 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3k83 h GLN 60 CO -0.01 0.96 0.12 -0.09 -0.95 0.00 0.00 178.83 178.86 3k83 h ARG 61 N 1.10 0.40 -0.84 1.46 2.43 -1.23 -1.89 114.38 115.82 3k83 h ARG 61 Ca 0.24 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3k83 h ARG 61 Cb 0.29 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 3k83 h ARG 61 CO -0.01 0.41 0.44 0.35 -1.51 0.00 0.00 179.97 179.65 3k83 h PHE 62 N 0.30 1.18 -0.09 2.20 3.57 -0.58 -2.50 116.94 121.02 3k83 h PHE 62 Ca 0.09 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 3k83 h PHE 62 Cb 0.15 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 3k83 h PHE 62 CO -0.01 0.83 -0.38 0.00 -2.23 0.00 0.00 178.31 176.52 3k83 h ARG 63 N 1.19 0.20 -0.33 1.11 3.08 -0.94 -2.08 114.38 116.60 3k83 h ARG 63 Ca 0.29 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.28 3k83 h ARG 63 Cb 0.06 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3k83 h ARG 63 CO -0.04 0.55 0.16 -0.07 -1.07 0.00 0.00 179.97 179.50 3k83 h LEU 64 N 0.17 0.24 -0.61 3.04 3.38 -0.91 -2.58 115.31 118.04 3k83 h LEU 64 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3k83 h LEU 64 Cb 0.75 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3k83 h LEU 64 CO 0.06 0.18 0.00 1.56 0.09 0.00 0.00 178.44 180.33 3k83 h GLN 65 N 0.34 0.00 -2.04 1.13 1.08 -1.20 -3.37 115.11 111.06 3k83 h GLN 65 Ca 0.14 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.84 3k83 h GLN 65 Cb 0.05 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.08 3k83 h GLN 65 CO -0.10 0.00 -1.11 0.09 -0.95 0.00 0.00 178.83 176.76 3k83 n ASN 66 N -2.67 1.28 0.21 1.46 3.02 -0.81 -4.92 115.26 112.83 3k83 n ASN 66 Ca 0.03 -3.08 0.15 0.00 -0.03 0.00 0.00 54.58 51.65 3k83 n ASN 66 Cb 0.36 -0.61 0.63 0.00 -0.61 0.00 0.00 39.78 39.54 3k83 n ASN 66 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3k83 h PRO 67 N 3.09 0.00 -0.00 3.52 0.13 -1.68 -3.11 132.00 133.96 3k83 h PRO 67 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3k83 h PRO 67 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3k83 h PRO 67 CO 0.54 0.00 -0.61 -0.25 -0.23 0.00 0.00 178.00 177.45 3k83 n ASP 68 N -2.67 0.67 -4.71 1.44 8.00 -1.26 -4.93 116.55 113.09 3k83 n ASP 68 Ca 0.01 -0.48 -0.43 0.00 0.71 0.00 0.00 54.79 54.60 3k83 n ASP 68 Cb 0.24 0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.75 3k83 n ASP 68 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3k83 n LEU 69 N -1.45 3.73 -4.47 0.64 7.94 -1.18 -4.92 117.00 117.30 3k83 n LEU 69 Ca 0.05 1.09 -0.43 0.00 -1.11 0.00 0.00 56.01 55.62 3k83 n LEU 69 Cb 0.34 -1.52 -0.03 0.00 0.53 0.00 0.00 43.42 42.73 3k83 n LEU 69 CO 0.37 -0.02 0.94 -0.62 -1.11 0.00 0.00 177.39 176.94 3k83 s ASP 70 N 0.87 6.40 0.27 1.96 3.68 -1.26 -4.87 116.67 123.73 3k83 s ASP 70 Ca 0.73 -1.48 0.13 0.00 2.13 0.00 0.00 52.55 54.07 3k83 s ASP 70 Cb -0.57 -2.43 0.27 0.00 -1.45 0.00 0.00 42.92 38.74 3k83 s ASP 70 CO 0.39 -1.30 1.54 0.77 0.13 0.00 0.00 175.17 176.70 3k83 h SER 71 N 9.29 0.00 -0.31 -0.34 4.64 -1.99 -2.77 113.55 122.07 3k83 h SER 71 Ca -0.04 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.17 3k83 h SER 71 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 3k83 h SER 71 CO 1.18 0.60 -0.21 -0.33 -0.87 0.00 0.00 176.83 177.20 3k83 h GLU 72 N 0.00 0.69 -0.67 4.77 3.07 -1.99 -0.65 114.58 119.81 3k83 h GLU 72 Ca -0.01 -0.33 -0.03 0.00 -0.50 0.00 0.00 59.36 58.50 3k83 h GLU 72 Cb 1.24 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.12 3k83 h GLU 72 CO 0.08 0.93 0.31 0.00 -1.40 0.00 0.00 179.01 178.93 3k83 h ALA 73 N 0.75 0.86 -0.50 3.43 0.00 -1.97 -2.14 119.26 119.69 3k83 h ALA 73 Ca 0.06 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3k83 h ALA 73 Cb 0.75 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3k83 h ALA 73 CO 0.06 0.44 -0.02 1.25 0.00 0.00 0.00 179.25 180.98 3k83 h LEU 74 N 0.93 0.88 -1.07 0.00 6.46 -1.38 -3.00 115.31 118.13 3k83 h LEU 74 Ca 0.23 -0.32 -0.07 0.00 -0.12 0.00 0.00 57.88 57.61 3k83 h LEU 74 Cb 0.14 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.82 3k83 h LEU 74 CO -0.03 0.99 -0.32 -0.07 -0.62 0.00 0.00 178.44 178.39 3k83 h LEU 75 N 0.76 0.00 -1.21 2.25 3.38 -0.94 -3.08 115.31 116.46 3k83 h LEU 75 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3k83 h LEU 75 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3k83 h LEU 75 CO 0.03 0.32 -0.14 0.35 0.09 0.00 0.00 178.44 179.09 3k83 n THR 76 N -3.53 0.00 -1.98 0.22 -2.24 -0.82 -4.89 114.28 101.04 3k83 n THR 76 Ca -0.00 -0.31 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 3k83 n THR 76 Cb 0.46 0.96 -0.03 0.00 -2.10 0.00 0.00 70.33 69.62 3k83 n THR 76 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k83 s LEU 77 N -2.18 4.37 0.62 3.22 1.43 -1.14 -4.99 118.68 120.01 3k83 s LEU 77 Ca 0.29 2.51 -0.19 0.00 -1.03 0.00 0.00 54.13 55.70 3k83 s LEU 77 Cb 0.20 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 3k83 s LEU 77 CO 0.40 -0.82 1.29 -2.65 0.23 0.00 0.00 176.35 174.80 3k83 n PRO 78 N 4.57 1.25 -0.26 1.29 -0.02 -1.26 -4.68 135.00 135.89 3k83 n PRO 78 Ca 0.14 0.48 0.06 0.00 -2.02 0.00 0.00 63.50 62.16 3k83 n PRO 78 Cb 0.40 -2.52 0.19 0.00 -0.02 0.00 0.00 33.50 31.56 3k83 n PRO 78 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3k83 h LEU 79 N 0.76 0.08 -1.09 2.45 5.85 -1.94 0.28 115.31 121.70 3k83 h LEU 79 Ca -0.51 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.38 3k83 h LEU 79 Cb 1.33 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.49 3k83 h LEU 79 CO 0.54 -0.02 0.61 -0.07 -0.34 0.00 0.00 178.44 179.17 3k83 h LEU 80 N 0.31 1.04 -0.10 2.25 -0.00 -1.95 0.20 115.31 117.06 3k83 h LEU 80 Ca 0.43 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 58.26 3k83 h LEU 80 Cb 0.73 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 41.14 3k83 h LEU 80 CO -0.50 0.74 -0.05 1.56 -0.00 0.00 0.00 178.44 180.19 3k83 h GLN 81 N 1.22 0.22 -0.72 1.13 7.50 -1.34 -2.05 115.11 121.06 3k83 h GLN 81 Ca 0.35 -0.09 0.16 0.00 0.50 0.00 0.00 58.65 59.57 3k83 h GLN 81 Cb -0.08 -0.01 -0.13 0.00 0.05 0.00 0.00 27.48 27.32 3k83 h GLN 81 CO -0.09 0.57 -0.02 1.25 -1.50 0.00 0.00 178.83 179.04 3k83 h LEU 82 N -0.14 -0.37 -0.48 1.46 5.85 -0.58 -0.82 115.31 120.23 3k83 h LEU 82 Ca 0.02 0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 3k83 h LEU 82 Cb 0.50 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3k83 h LEU 82 CO 0.02 -0.17 0.09 0.58 -0.34 0.00 0.00 178.44 178.61 3k83 h VAL 83 N 0.09 1.25 -0.74 1.05 2.07 -0.50 -1.16 116.25 118.31 3k83 h VAL 83 Ca 0.39 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3k83 h VAL 83 Cb 0.66 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3k83 h VAL 83 CO -0.65 0.32 0.33 -0.61 0.02 0.00 0.00 177.57 176.98 3k83 h GLN 84 N 0.67 1.08 0.00 1.57 -0.00 -0.59 0.23 115.11 118.07 3k83 h GLN 84 Ca 0.15 -0.17 -0.07 0.00 -0.00 0.00 0.00 58.65 58.56 3k83 h GLN 84 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.66 3k83 h GLN 84 CO 0.01 0.86 -0.32 0.87 0.00 0.00 0.00 178.83 180.24 3k83 h LYS 85 N 1.05 0.00 -0.15 1.69 1.57 -0.99 -0.93 116.57 118.81 3k83 h LYS 85 Ca 0.25 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.83 3k83 h LYS 85 Cb 0.15 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.47 3k83 h LYS 85 CO -0.03 0.32 -0.69 -0.07 -0.57 0.00 0.00 179.45 178.42 3k83 h LEU 86 N 0.00 0.86 -0.53 2.94 3.38 -0.52 -0.99 115.31 120.45 3k83 h LEU 86 Ca -0.00 -0.63 -0.09 0.00 0.09 0.00 0.00 57.88 57.25 3k83 h LEU 86 Cb 1.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3k83 h LEU 86 CO 0.04 1.35 -0.03 -0.61 0.09 0.00 0.00 178.44 179.28 3k83 h GLN 87 N 0.44 0.96 0.00 1.13 5.75 -0.78 -3.00 115.11 119.61 3k83 h GLN 87 Ca -0.04 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.14 3k83 h GLN 87 Cb 1.32 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.79 3k83 h GLN 87 CO 0.14 0.98 0.00 0.66 -2.65 0.00 0.00 178.83 177.97 3k83 h SER 88 N 0.83 0.00 0.00 -0.69 4.64 -1.24 -3.47 113.55 113.62 3k83 h SER 88 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3k83 h SER 88 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3k83 h SER 88 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 3k83 n GLY 89 N 0.87 0.75 0.23 -0.77 0.00 -1.00 -4.94 105.19 100.33 3k83 n GLY 89 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 3k83 n GLY 89 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3k83 h GLU 90 N 3.35 0.49 -6.29 1.61 4.81 -1.59 -3.42 114.58 113.54 3k83 h GLU 90 Ca 0.00 -0.22 -0.69 0.00 -0.13 0.00 0.00 59.36 58.33 3k83 h GLU 90 Cb 0.00 -0.01 -0.21 0.00 0.63 0.00 0.00 28.75 29.16 3k83 h GLU 90 CO 0.00 0.76 -0.74 -0.51 -0.73 0.00 0.00 179.01 177.79 3k83 s LEU 91 N -8.55 2.91 0.35 1.64 1.43 -0.47 -5.03 118.68 110.96 3k83 s LEU 91 Ca -0.07 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.73 3k83 s LEU 91 Cb 0.13 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.64 3k83 s LEU 91 CO 0.80 0.34 0.76 -0.94 0.23 0.00 0.00 176.35 177.54 3k83 s SER 92 N -0.90 6.73 0.40 2.29 1.04 -1.26 -4.42 113.70 117.58 3k83 s SER 92 Ca 0.13 1.28 0.08 0.00 0.48 0.00 0.00 55.95 57.92 3k83 s SER 92 Cb -0.11 -2.37 0.82 0.00 0.10 0.00 0.00 66.02 64.46 3k83 s SER 92 CO 0.02 -0.26 1.99 -0.65 0.98 0.00 0.00 173.24 175.32 3k83 h PRO 93 N 2.02 0.40 -0.39 4.02 0.11 -1.92 -2.49 132.00 133.76 3k83 h PRO 93 Ca -0.48 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 3k83 h PRO 93 Cb 1.18 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3k83 h PRO 93 CO 0.65 0.37 0.13 0.93 -0.21 0.00 0.00 178.00 179.87 3k83 h GLU 94 N 0.40 0.59 -0.15 1.05 3.07 -1.94 0.72 114.58 118.33 3k83 h GLU 94 Ca 0.10 -0.12 0.03 0.00 -0.50 0.00 0.00 59.36 58.87 3k83 h GLU 94 Cb 0.15 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 3k83 h GLU 94 CO -0.00 0.59 -0.07 0.00 -1.40 0.00 0.00 179.01 178.12 3k83 h ALA 95 N 0.98 0.06 -0.58 3.43 0.00 -1.89 -0.37 119.26 120.89 3k83 h ALA 95 Ca 0.13 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3k83 h ALA 95 Cb 0.23 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3k83 h ALA 95 CO -0.01 -0.51 -0.02 0.28 0.00 0.00 0.00 179.25 178.98 3k83 h VAL 96 N -0.06 1.26 0.06 0.00 2.07 -1.24 -1.71 116.25 116.64 3k83 h VAL 96 Ca 0.08 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 3k83 h VAL 96 Cb 0.18 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3k83 h VAL 96 CO -0.18 0.42 -0.03 0.15 0.02 0.00 0.00 177.57 177.95 3k83 h PHE 97 N 0.94 -0.07 0.00 1.57 3.04 -0.45 -1.29 116.94 120.68 3k83 h PHE 97 Ca 0.16 -0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.99 3k83 h PHE 97 Cb 0.58 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 39.09 3k83 h PHE 97 CO 0.04 0.24 -0.59 0.74 -2.02 0.00 0.00 178.31 176.72 3k83 h PHE 98 N -0.39 0.00 -0.18 0.41 0.04 -1.10 0.42 116.94 116.15 3k83 h PHE 98 Ca -0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3k83 h PHE 98 Cb 0.35 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 3k83 h PHE 98 CO 0.03 0.59 0.01 1.15 -0.60 0.00 0.00 178.31 179.49 3k83 h THR 99 N 0.00 1.24 -0.56 -1.55 2.02 -1.27 -1.69 112.91 111.11 3k83 h THR 99 Ca -0.01 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 66.33 3k83 h THR 99 Cb 1.08 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 3k83 h THR 99 CO 0.08 0.24 0.14 1.88 0.37 0.00 0.00 175.52 178.23 3k83 h TYR 100 N 0.07 0.88 -0.47 3.16 0.05 -1.09 -2.24 116.97 117.33 3k83 h TYR 100 Ca 0.05 -0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.78 3k83 h TYR 100 Cb 0.35 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 3k83 h TYR 100 CO 0.03 0.73 0.27 1.25 -1.05 0.00 0.00 178.16 179.39 3k83 h LEU 101 N 0.82 0.43 -0.60 3.88 5.85 -0.65 0.25 115.31 125.29 3k83 h LEU 101 Ca 0.18 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 3k83 h LEU 101 Cb 0.29 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3k83 h LEU 101 CO -0.00 0.31 -0.16 1.23 -0.34 0.00 0.00 178.44 179.47 3k83 h GLY 102 N 0.54 1.02 0.92 3.75 0.00 -1.21 0.20 103.07 108.30 3k83 h GLY 102 Ca 0.19 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 3k83 h GLY 102 CO -0.10 0.78 0.12 1.70 0.00 0.00 0.00 176.54 179.04 3k83 h LYS 103 N 0.83 0.39 -0.61 4.80 1.63 -1.00 -0.48 116.57 122.13 3k83 h LYS 103 Ca 0.12 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3k83 h LYS 103 Cb 0.71 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.24 3k83 h LYS 103 CO 0.05 0.39 0.38 0.00 -3.45 0.00 0.00 179.45 176.82 3k83 h ALA 104 N 0.98 0.78 -0.53 5.00 0.00 -0.24 -0.11 119.26 125.15 3k83 h ALA 104 Ca 0.09 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3k83 h ALA 104 Cb 0.14 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3k83 h ALA 104 CO -0.01 0.12 0.29 2.35 0.00 0.00 0.00 179.25 182.00 3k83 h TRP 105 N 0.74 0.53 0.20 0.00 7.01 -0.71 -1.28 115.95 122.44 3k83 h TRP 105 Ca 0.24 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 3k83 h TRP 105 Cb 0.01 -0.16 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 3k83 h TRP 105 CO -0.05 0.28 -0.09 0.93 -2.79 0.00 0.00 178.44 176.71 3k83 h GLU 106 N 0.56 -0.25 0.00 2.65 5.08 -0.42 -3.02 114.58 119.17 3k83 h GLU 106 Ca 0.23 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 3k83 h GLU 106 Cb 0.10 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3k83 h GLU 106 CO -0.14 0.00 -0.19 -0.39 -1.00 0.00 0.00 179.01 177.30 3k83 h VAL 107 N -0.49 0.98 -0.31 3.13 -1.51 -1.02 -1.77 116.25 115.26 3k83 h VAL 107 Ca -0.03 -0.68 0.03 0.00 -1.23 0.00 0.00 66.70 64.79 3k83 h VAL 107 Cb 0.37 1.38 -0.02 0.00 -2.13 0.00 0.00 31.29 30.90 3k83 h VAL 107 CO 0.04 0.18 0.21 -1.13 -1.23 0.00 0.00 177.57 175.65 3k83 h ASN 108 N 0.00 0.26 -0.87 4.19 -1.24 -1.10 -2.72 115.58 114.10 3k83 h ASN 108 Ca -0.00 -0.00 0.19 0.00 0.71 0.00 0.00 56.30 57.19 3k83 h ASN 108 Cb 0.37 -0.06 -0.11 0.00 0.73 0.00 0.00 38.32 39.24 3k83 h ASN 108 CO 0.02 0.18 0.40 0.11 -1.29 0.00 0.00 177.43 176.86 3k83 h LYS 109 N 0.31 0.47 -0.02 6.67 1.79 -1.28 0.17 116.57 124.67 3k83 h LYS 109 Ca 0.13 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 3k83 h LYS 109 Cb 0.13 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3k83 h LYS 109 CO -0.03 0.31 -0.09 0.41 -1.08 0.00 0.00 179.45 178.97 3k83 n GLY 110 N -1.33 0.34 0.00 3.86 0.00 -1.06 -4.62 105.19 102.37 3k83 n GLY 110 Ca 0.20 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3k83 n GLY 110 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k83 n THR 111 N 0.78 0.00 -3.55 2.61 -2.24 -0.80 -4.78 114.28 106.30 3k83 n THR 111 Ca 0.10 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.68 3k83 n THR 111 Cb 0.45 -0.76 0.06 0.00 -2.10 0.00 0.00 70.33 67.97 3k83 n THR 111 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3k83 n ASN 112 N -1.76 -2.43 0.01 3.42 5.15 0.54 -1.01 115.26 119.17 3k83 n ASN 112 Ca 0.00 -0.75 0.11 0.00 -0.60 0.00 0.00 54.58 53.34 3k83 n ASN 112 Cb 0.40 -4.53 -0.12 0.00 -0.53 0.00 0.00 39.78 35.00 3k83 n ASN 112 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k83 s VAL 114 N -3.39 5.32 -0.18 0.00 1.01 -1.26 -0.11 120.40 121.79 3k83 s VAL 114 Ca -0.03 0.37 0.15 0.00 0.00 0.00 0.00 61.98 62.46 3k83 s VAL 114 Cb 0.14 -3.57 -0.21 0.00 0.00 0.00 0.00 36.38 32.73 3k83 s VAL 114 CO 0.88 0.35 0.04 0.35 0.00 0.00 0.00 175.10 176.71 3k83 n THR 115 N 4.05 1.23 -3.72 3.92 -2.24 0.33 -4.86 114.28 112.99 3k83 n THR 115 Ca -0.13 -0.73 -0.13 0.00 -2.27 0.00 0.00 64.05 60.79 3k83 n THR 115 Cb 0.52 -0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 68.05 3k83 n THR 115 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3k83 s SER 116 N -5.29 -0.47 -0.22 3.42 0.15 -1.16 -4.07 113.70 106.05 3k83 s SER 116 Ca -0.11 0.90 -0.20 0.00 0.70 0.00 0.00 55.95 57.24 3k83 s SER 116 Cb 0.06 0.91 -0.02 0.00 -1.71 0.00 0.00 66.02 65.25 3k83 s SER 116 CO 0.71 -0.16 0.62 -0.47 1.20 0.00 0.00 173.24 175.14 3k83 s TYR 117 N 0.32 3.34 -0.48 3.44 6.04 -1.26 -1.25 117.35 127.51 3k83 s TYR 117 Ca -0.01 0.86 -0.28 0.00 0.04 0.00 0.00 57.07 57.68 3k83 s TYR 117 Cb -0.03 -2.80 0.01 0.00 -1.04 0.00 0.00 41.96 38.09 3k83 s TYR 117 CO -0.00 -0.23 1.48 -0.51 -1.54 0.00 0.00 175.55 174.75 3k83 s LEU 118 N 2.13 3.49 0.12 6.97 1.43 -0.04 -4.88 118.68 127.89 3k83 s LEU 118 Ca 0.27 0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 53.76 3k83 s LEU 118 Cb -0.16 -3.28 -0.05 0.00 0.03 0.00 0.00 46.19 42.73 3k83 s LEU 118 CO 0.09 -1.63 1.67 0.74 0.23 0.00 0.00 176.35 177.45 3k83 h THR 119 N 6.50 0.58 -0.05 5.49 2.02 -1.95 -2.74 112.91 122.76 3k83 h THR 119 Ca -0.28 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.90 3k83 h THR 119 Cb 1.11 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3k83 h THR 119 CO 1.13 0.00 0.00 -0.90 0.37 0.00 0.00 175.52 176.12 3k83 n ASP 120 N -5.30 0.43 0.23 4.18 5.75 -1.26 -4.18 116.55 116.40 3k83 n ASP 120 Ca -0.05 -2.01 0.16 0.00 -0.01 0.00 0.00 54.79 52.89 3k83 n ASP 120 Cb 0.22 -0.10 0.71 0.00 -1.03 0.00 0.00 41.12 40.91 3k83 n ASP 120 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k83 h GLU 122 N 0.00 0.28 -0.01 0.00 5.08 -1.85 -0.23 114.58 117.85 3k83 h GLU 122 Ca 0.00 -0.24 -0.25 0.00 -1.00 0.00 0.00 59.36 57.87 3k83 h GLU 122 Cb 0.34 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.65 3k83 h GLU 122 CO 0.00 0.90 -0.99 1.79 -1.00 0.00 0.00 179.01 179.72 3k83 h THR 123 N 0.19 1.33 -1.00 1.13 1.35 -1.64 -3.00 112.91 111.26 3k83 h THR 123 Ca -0.03 -2.31 0.07 0.00 -0.55 0.00 0.00 66.41 63.59 3k83 h THR 123 Cb 1.31 2.37 -0.07 0.00 -1.73 0.00 0.00 68.15 70.04 3k83 h THR 123 CO 0.12 0.71 0.64 -0.61 -0.25 0.00 0.00 175.52 176.13 3k83 h GLN 124 N 0.34 1.12 -0.51 4.72 5.75 -1.28 -1.84 115.11 123.41 3k83 h GLN 124 Ca -0.10 -0.07 0.10 0.00 -0.15 0.00 0.00 58.65 58.42 3k83 h GLN 124 Cb 1.63 -0.25 -0.08 0.00 1.07 0.00 0.00 27.48 29.85 3k83 h GLN 124 CO 0.18 0.74 0.02 1.25 -2.65 0.00 0.00 178.83 178.38 3k83 h LEU 125 N 1.15 -0.17 -0.08 -2.39 5.85 -0.94 -1.52 115.31 117.22 3k83 h LEU 125 Ca 0.43 0.11 0.00 0.00 0.84 0.00 0.00 57.88 59.27 3k83 h LEU 125 Cb 0.19 0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3k83 h LEU 125 CO -0.18 -0.05 0.00 -1.54 -0.34 0.00 0.00 178.44 176.33 3k83 n SER 126 N -5.21 0.33 -0.47 1.25 3.41 -0.72 -3.00 113.62 109.21 3k83 n SER 126 Ca 0.06 0.54 0.05 0.00 -0.26 0.00 0.00 58.87 59.26 3k83 n SER 126 Cb 0.27 -0.63 0.13 0.00 -0.26 0.00 0.00 64.21 63.72 3k83 n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k83 n GLN 127 N -1.82 2.80 -1.85 4.33 6.02 -0.77 -5.04 117.38 121.05 3k83 n GLN 127 Ca 0.06 -2.06 -0.42 0.00 -0.01 0.00 0.00 57.00 54.56 3k83 n GLN 127 Cb 0.33 -1.30 -0.03 0.00 1.02 0.00 0.00 30.24 30.26 3k83 n GLN 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k83 s ALA 128 N -1.42 3.78 -0.06 -1.58 0.00 -0.64 -4.89 121.76 116.95 3k83 s ALA 128 Ca 0.21 1.38 -0.31 0.00 0.00 0.00 0.00 51.96 53.24 3k83 s ALA 128 Cb 0.13 -3.68 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 3k83 s ALA 128 CO 0.10 -0.98 2.01 -2.30 0.00 0.00 0.00 175.76 174.59 3k83 n PRO 129 N 4.74 2.44 0.30 0.00 -0.02 -1.26 -4.84 135.00 136.35 3k83 n PRO 129 Ca 0.15 0.85 0.18 0.00 -2.02 0.00 0.00 63.50 62.66 3k83 n PRO 129 Cb 0.38 -2.93 0.90 0.00 -0.02 0.00 0.00 33.50 31.83 3k83 n PRO 129 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3k83 h ARG 130 N 11.19 0.00 -0.58 -0.52 9.65 -1.96 -0.13 114.38 132.03 3k83 h ARG 130 Ca -0.47 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 3k83 h ARG 130 Cb 1.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 3k83 h ARG 130 CO 0.95 0.04 0.00 1.04 2.80 0.00 0.00 179.97 184.80 3k83 n GLN 131 N -3.30 2.96 -1.86 0.20 3.00 -1.26 -4.92 117.38 112.20 3k83 n GLN 131 Ca -0.02 -2.52 -0.39 0.00 -0.01 0.00 0.00 57.00 54.07 3k83 n GLN 131 Cb 0.19 -1.54 0.02 0.00 0.00 0.00 0.00 30.24 28.91 3k83 n GLN 131 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3k83 s GLY 132 N -1.03 2.91 0.31 1.08 0.00 -0.06 -4.89 107.32 105.64 3k83 s GLY 132 Ca 0.41 1.37 0.24 0.00 0.00 0.00 0.00 44.72 46.74 3k83 s GLY 132 CO 0.25 1.95 1.73 1.41 0.00 0.00 0.00 173.10 178.44 3k83 h LEU 133 N 2.18 0.00 -3.00 0.66 3.38 -1.88 -2.70 115.31 113.95 3k83 h LEU 133 Ca -0.51 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 3k83 h LEU 133 Cb 1.27 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 3k83 h LEU 133 CO 0.60 0.00 -0.52 0.18 0.09 0.00 0.00 178.44 178.79 3k83 n LEU 134 N -2.32 2.53 -4.69 1.67 4.77 -0.01 -5.04 117.00 113.91 3k83 n LEU 134 Ca 0.01 -3.69 -0.55 0.00 -0.03 0.00 0.00 56.01 51.75 3k83 n LEU 134 Cb 0.17 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 40.72 3k83 n LEU 134 CO 0.17 1.29 1.29 0.00 -1.33 0.00 0.00 177.39 178.82 3k83 n TYR 135 N -0.99 2.03 -0.97 -1.77 4.19 -1.02 -1.44 117.16 117.18 3k83 n TYR 135 Ca 0.18 0.46 0.00 0.00 3.31 0.00 0.00 57.90 61.85 3k83 n TYR 135 Cb 0.73 -2.48 0.00 0.00 0.49 0.00 0.00 39.34 38.08 3k83 n TYR 135 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3k83 n GLY 136 N 3.99 0.46 3.62 2.98 0.00 -0.33 -4.73 105.19 111.18 3k83 n GLY 136 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3k83 n GLY 136 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k83 s VAL 137 N -2.08 4.73 0.14 1.61 1.01 -0.52 -4.72 120.40 120.56 3k83 s VAL 137 Ca 0.00 1.37 -0.31 0.00 0.00 0.00 0.00 61.98 63.04 3k83 s VAL 137 Cb 0.00 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 3k83 s VAL 137 CO 0.00 -0.28 1.54 -2.84 0.00 0.00 0.00 175.10 173.52 3k83 s PRO 138 N 3.11 4.23 -0.04 2.72 0.02 -1.26 -0.05 135.00 143.74 3k83 s PRO 138 Ca 0.36 2.30 0.06 0.00 0.02 0.00 0.00 61.00 63.73 3k83 s PRO 138 Cb -0.14 -3.25 -0.01 0.00 0.02 0.00 0.00 34.50 31.12 3k83 s PRO 138 CO 0.12 -0.59 -0.21 0.08 -0.33 0.00 0.00 177.00 176.07 3k83 s VAL 139 N 1.38 1.74 -0.07 3.83 1.01 -0.58 -4.28 120.40 123.44 3k83 s VAL 139 Ca 0.69 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 3k83 s VAL 139 Cb -0.42 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 3k83 s VAL 139 CO 0.31 0.49 0.14 -0.94 0.00 0.00 0.00 175.10 175.10 3k83 s SER 140 N -0.25 6.26 -0.08 3.32 1.04 -0.25 -1.76 113.70 121.98 3k83 s SER 140 Ca 0.01 0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.86 3k83 s SER 140 Cb -0.11 -1.97 -0.01 0.00 0.10 0.00 0.00 66.02 64.03 3k83 s SER 140 CO 0.01 0.34 -0.21 -0.76 0.98 0.00 0.00 173.24 173.60 3k83 s LEU 141 N -1.41 2.28 0.47 2.42 1.43 -0.10 -2.40 118.68 121.36 3k83 s LEU 141 Ca 0.20 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.61 3k83 s LEU 141 Cb -0.12 -1.45 -0.08 0.00 0.03 0.00 0.00 46.19 44.57 3k83 s LEU 141 CO 0.10 0.22 1.20 1.17 0.23 0.00 0.00 176.35 179.27 3k83 n LYS 142 N 3.15 1.63 0.29 1.70 4.81 -1.02 -0.27 118.16 128.44 3k83 n LYS 142 Ca -0.18 0.59 0.19 0.00 -0.87 0.00 0.00 58.31 58.03 3k83 n LYS 142 Cb 0.52 -2.33 0.98 0.00 0.02 0.00 0.00 35.03 34.22 3k83 n LYS 142 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 3k83 h GLU 143 N 1.62 0.00 0.00 1.64 4.81 -1.75 -1.03 114.58 119.87 3k83 h GLU 143 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3k83 h GLU 143 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3k83 h GLU 143 CO 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.85 3k83 s PHE 145 N -3.12 2.11 0.04 0.00 0.40 -0.39 -1.29 117.98 115.74 3k83 s PHE 145 Ca 0.10 0.01 -0.38 0.00 -0.60 0.00 0.00 56.93 56.06 3k83 s PHE 145 Cb 0.13 -4.35 -0.18 0.00 0.51 0.00 0.00 43.02 39.13 3k83 s PHE 145 CO 0.50 -1.89 1.28 0.43 0.70 0.00 0.00 175.22 176.25 3k83 n SER 146 N 11.56 1.20 -3.96 1.36 7.64 -1.26 -4.84 113.62 125.33 3k83 n SER 146 Ca 0.33 1.13 -0.24 0.00 1.01 0.00 0.00 58.87 61.11 3k83 n SER 146 Cb 0.49 -1.11 -0.17 0.00 -1.01 0.00 0.00 64.21 62.42 3k83 n SER 146 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3k83 s TYR 147 N 0.52 1.24 0.10 1.43 5.04 -1.26 -1.09 117.35 123.33 3k83 s TYR 147 Ca 0.87 -0.47 -0.36 0.00 -2.44 0.00 0.00 57.07 54.67 3k83 s TYR 147 Cb -1.06 -0.98 -0.16 0.00 0.35 0.00 0.00 41.96 40.11 3k83 s TYR 147 CO 0.51 -0.30 1.38 1.17 -1.34 0.00 0.00 175.55 176.96 3k83 n LYS 148 N 4.14 1.32 -0.35 4.97 4.81 -1.25 -1.40 118.16 130.39 3k83 n LYS 148 Ca -0.21 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 3k83 n LYS 148 Cb 0.51 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.42 3k83 n LYS 148 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3k83 n GLY 149 N 2.66 1.19 3.40 3.14 0.00 -0.26 -4.93 105.19 110.39 3k83 n GLY 149 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3k83 n GLY 149 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k83 s HIS 150 N -2.95 2.42 0.48 1.61 3.76 -0.49 -4.73 115.29 115.39 3k83 s HIS 150 Ca 0.00 -0.34 -0.22 0.00 -0.15 0.00 0.00 55.06 54.35 3k83 s HIS 150 Cb 0.00 -1.40 -0.07 0.00 1.11 0.00 0.00 32.58 32.22 3k83 s HIS 150 CO 0.00 0.21 1.17 -0.51 -0.85 0.00 0.00 174.74 174.77 3k83 s ASP 151 N -1.46 6.05 -0.55 1.40 -0.00 -1.26 -0.65 116.67 120.19 3k83 s ASP 151 Ca 0.13 2.32 0.01 0.00 -0.00 0.00 0.00 52.55 55.02 3k83 s ASP 151 Cb -0.10 -2.60 0.14 0.00 -0.00 0.00 0.00 42.92 40.36 3k83 s ASP 151 CO 0.04 -1.00 0.32 -0.44 -0.00 0.00 0.00 175.17 174.09 3k83 s SER 152 N -1.38 4.75 0.24 0.27 0.01 -1.26 -4.92 113.70 111.40 3k83 s SER 152 Ca 0.65 -2.89 0.10 0.00 1.31 0.00 0.00 55.95 55.13 3k83 s SER 152 Cb -0.29 -1.73 0.21 0.00 0.21 0.00 0.00 66.02 64.42 3k83 s SER 152 CO 0.35 -0.30 1.52 0.71 0.41 0.00 0.00 173.24 175.93 3k83 h THR 153 N 5.47 1.47 -2.62 1.44 1.35 -1.84 -3.47 112.91 114.71 3k83 h THR 153 Ca -0.05 -2.45 -0.31 0.00 -0.55 0.00 0.00 66.41 63.04 3k83 h THR 153 Cb 0.93 2.34 -0.06 0.00 -1.73 0.00 0.00 68.15 69.62 3k83 h THR 153 CO 0.69 0.69 -0.35 0.18 -0.25 0.00 0.00 175.52 176.48 3k83 n LEU 154 N -3.64 -1.31 -0.16 3.87 4.77 -1.26 -0.82 117.00 118.45 3k83 n LEU 154 Ca -0.01 0.22 -0.02 0.00 -0.03 0.00 0.00 56.01 56.18 3k83 n LEU 154 Cb 0.70 -2.36 -0.01 0.00 -2.33 0.00 0.00 43.42 39.43 3k83 n LEU 154 CO 0.43 -0.42 -0.02 0.61 -1.33 0.00 0.00 177.39 176.66 3k83 n GLY 155 N -0.64 0.45 3.54 -0.72 0.00 -1.26 0.12 105.19 106.67 3k83 n GLY 155 Ca -0.17 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 3k83 n GLY 155 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k83 s LEU 156 N -0.48 3.53 0.29 0.99 1.43 0.00 -4.31 118.68 120.12 3k83 s LEU 156 Ca 0.00 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 3k83 s LEU 156 Cb 0.00 -1.90 0.71 0.00 0.03 0.00 0.00 46.19 45.03 3k83 s LEU 156 CO 0.00 0.11 1.66 -1.28 0.23 0.00 0.00 176.35 177.07 3k83 h SER 157 N 7.15 0.09 0.41 2.29 0.87 -1.88 -0.05 113.55 122.43 3k83 h SER 157 Ca -0.36 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3k83 h SER 157 Cb 1.18 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.36 3k83 h SER 157 CO 0.64 -0.11 0.00 0.00 -0.53 0.00 0.00 176.83 176.83 3k83 n LEU 158 N -5.18 0.00 -0.81 2.23 -0.00 -1.26 -1.72 117.00 110.26 3k83 n LEU 158 Ca 0.21 0.47 0.08 0.00 -0.00 0.00 0.00 56.01 56.78 3k83 n LEU 158 Cb 0.67 -0.47 0.15 0.00 -0.00 0.00 0.00 43.42 43.76 3k83 n LEU 158 CO 0.08 -0.27 0.60 0.59 -0.00 0.00 0.00 177.39 178.40 3k83 n ASN 159 N -1.47 2.88 -4.79 1.45 3.02 -0.03 -4.94 115.26 111.37 3k83 n ASN 159 Ca 0.03 -1.84 -0.36 0.00 -0.03 0.00 0.00 54.58 52.38 3k83 n ASN 159 Cb 0.14 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.08 3k83 n ASN 159 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3k83 s GLU 160 N -1.22 4.47 -1.59 3.52 -6.30 -0.70 -3.61 118.70 113.28 3k83 s GLU 160 Ca 0.27 1.22 0.00 0.00 -2.50 0.00 0.00 54.97 53.96 3k83 s GLU 160 Cb 0.16 -2.70 0.00 0.00 0.00 0.00 0.00 34.13 31.59 3k83 s GLU 160 CO 0.22 0.24 0.00 0.41 0.02 0.00 0.00 175.26 176.15 3k83 n GLY 161 N 0.36 -0.23 2.52 -1.50 0.00 -1.26 -4.96 105.19 100.12 3k83 n GLY 161 Ca 0.02 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 3k83 n GLY 161 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3k83 n MET 162 N -2.74 1.81 -2.09 1.61 2.81 -1.24 -5.11 117.12 112.18 3k83 n MET 162 Ca -0.22 -4.25 -0.40 0.00 -1.81 0.00 0.00 57.70 51.03 3k83 n MET 162 Cb 0.66 -2.05 -0.02 0.00 -0.71 0.00 0.00 33.22 31.11 3k83 n MET 162 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3k83 s PRO 163 N -1.73 4.22 0.37 0.03 0.04 -1.26 -4.47 135.00 132.20 3k83 s PRO 163 Ca 0.34 2.20 -0.28 0.00 0.04 0.00 0.00 61.00 63.31 3k83 s PRO 163 Cb 0.09 -2.96 -0.10 0.00 0.04 0.00 0.00 34.50 31.56 3k83 s PRO 163 CO -0.09 -0.30 1.40 -1.12 0.04 0.00 0.00 177.00 176.93 3k83 s SER 164 N -0.56 6.47 0.41 6.66 0.01 0.18 -4.77 113.70 122.08 3k83 s SER 164 Ca 0.52 2.87 0.15 0.00 1.31 0.00 0.00 55.95 60.79 3k83 s SER 164 Cb -0.39 -2.66 0.86 0.00 0.21 0.00 0.00 66.02 64.04 3k83 s SER 164 CO 0.52 -0.77 1.89 -0.33 0.41 0.00 0.00 173.24 174.96 3k83 h GLU 165 N 3.06 0.00 -2.77 12.44 4.39 -1.91 -0.68 114.58 129.11 3k83 h GLU 165 Ca -0.50 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.26 3k83 h GLU 165 Cb 1.24 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.79 3k83 h GLU 165 CO 0.64 0.30 0.31 -1.54 -1.16 0.00 0.00 179.01 177.56 3k83 s SER 166 N -6.87 -0.37 0.46 1.42 1.04 -1.26 -4.76 113.70 103.36 3k83 s SER 166 Ca -0.03 -0.26 -0.25 0.00 0.48 0.00 0.00 55.95 55.90 3k83 s SER 166 Cb 0.15 0.59 -0.08 0.00 0.10 0.00 0.00 66.02 66.77 3k83 s SER 166 CO 0.70 -1.02 1.39 -1.81 0.98 0.00 0.00 173.24 173.49 3k83 s ASP 167 N -2.79 5.82 0.88 7.02 -0.00 -1.26 -3.95 116.67 122.39 3k83 s ASP 167 Ca 0.07 2.85 -0.11 0.00 -0.00 0.00 0.00 52.55 55.35 3k83 s ASP 167 Cb -0.03 -2.65 0.12 0.00 -0.00 0.00 0.00 42.92 40.37 3k83 s ASP 167 CO -0.04 -1.21 1.09 0.00 -0.00 0.00 0.00 175.17 175.02 3k83 h VAL 169 N -1.49 0.74 -0.58 0.00 2.07 -1.74 -1.08 116.25 114.16 3k83 h VAL 169 Ca -0.49 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 3k83 h VAL 169 Cb 1.28 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3k83 h VAL 169 CO 0.54 0.03 0.17 -0.37 0.02 0.00 0.00 177.57 177.96 3k83 h VAL 170 N 0.14 1.23 -0.32 2.57 -1.51 -1.82 0.66 116.25 117.20 3k83 h VAL 170 Ca 0.19 -0.80 -0.01 0.00 -1.23 0.00 0.00 66.70 64.85 3k83 h VAL 170 Cb 0.25 0.60 -0.02 0.00 -2.13 0.00 0.00 31.29 30.00 3k83 h VAL 170 CO -0.29 0.30 0.17 0.58 -1.23 0.00 0.00 177.57 177.11 3k83 h VAL 171 N 0.86 1.14 -0.49 7.19 2.07 -1.78 0.68 116.25 125.91 3k83 h VAL 171 Ca 0.19 -0.37 0.08 0.00 0.82 0.00 0.00 66.70 67.42 3k83 h VAL 171 Cb 0.27 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 3k83 h VAL 171 CO -0.01 0.14 0.14 1.56 0.02 0.00 0.00 177.57 179.42 3k83 h GLN 172 N 0.40 0.28 -0.68 1.57 4.20 -0.41 -1.46 115.11 119.01 3k83 h GLN 172 Ca 0.11 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 3k83 h GLN 172 Cb 0.07 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3k83 h GLN 172 CO -0.02 0.18 0.26 0.28 -0.67 0.00 0.00 178.83 178.86 3k83 h VAL 173 N 0.29 1.24 -0.74 -0.54 2.07 -0.57 -0.06 116.25 117.94 3k83 h VAL 173 Ca 0.24 -0.79 0.06 0.00 0.82 0.00 0.00 66.70 67.04 3k83 h VAL 173 Cb 0.30 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3k83 h VAL 173 CO -0.28 0.31 0.43 -0.07 0.02 0.00 0.00 177.57 177.98 3k83 h LEU 174 N 0.96 0.65 -0.37 2.57 3.38 -0.16 -0.59 115.31 121.75 3k83 h LEU 174 Ca 0.22 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.10 3k83 h LEU 174 Cb 0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3k83 h LEU 174 CO -0.02 0.41 -0.23 0.11 0.09 0.00 0.00 178.44 178.81 3k83 h LYS 175 N 0.78 0.81 0.00 1.13 1.57 -0.80 -0.47 116.57 119.59 3k83 h LYS 175 Ca 0.33 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3k83 h LYS 175 Cb 0.20 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3k83 h LYS 175 CO -0.18 1.00 0.00 -0.07 -0.57 0.00 0.00 179.45 179.63 3k83 h LEU 176 N 0.60 0.00 -2.49 2.94 3.38 -0.40 0.10 115.31 119.45 3k83 h LEU 176 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3k83 h LEU 176 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3k83 h LEU 176 CO 0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.59 3k83 n GLN 177 N -3.07 2.75 -0.82 1.13 1.13 -0.28 -4.76 117.38 113.46 3k83 n GLN 177 Ca -0.02 -2.38 0.00 0.00 -1.94 0.00 0.00 57.00 52.66 3k83 n GLN 177 Cb 0.14 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 28.90 3k83 n GLN 177 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k83 n GLY 178 N 1.40 0.78 3.79 1.08 0.00 0.02 -0.83 105.19 111.43 3k83 n GLY 178 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 3k83 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k83 s ALA 179 N -2.95 2.35 -0.47 4.61 0.00 -0.25 -1.18 121.76 123.88 3k83 s ALA 179 Ca 0.00 0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.02 3k83 s ALA 179 Cb 0.00 -3.18 0.13 0.00 0.00 0.00 0.00 23.12 20.08 3k83 s ALA 179 CO 0.00 -1.59 0.25 0.08 0.00 0.00 0.00 175.76 174.49 3k83 s VAL 180 N -3.03 1.82 0.24 0.00 1.01 0.93 -4.37 120.40 116.99 3k83 s VAL 180 Ca 0.60 -2.83 -0.31 0.00 0.00 0.00 0.00 61.98 59.44 3k83 s VAL 180 Cb -0.15 -2.27 -0.12 0.00 0.00 0.00 0.00 36.38 33.84 3k83 s VAL 180 CO 0.55 -0.86 1.67 -2.65 0.00 0.00 0.00 175.10 173.81 3k83 n PRO 181 N 3.38 2.73 0.00 2.72 -0.02 -1.26 -1.53 135.00 141.03 3k83 n PRO 181 Ca 0.07 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 3k83 n PRO 181 Cb 0.34 -2.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 3k83 n PRO 181 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3k83 n PHE 182 N 3.28 0.00 -3.89 6.00 -1.74 -0.72 -4.76 117.46 115.64 3k83 n PHE 182 Ca 0.13 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.91 3k83 n PHE 182 Cb 0.35 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.24 3k83 n PHE 182 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 3k83 s VAL 183 N -0.69 0.07 -0.07 1.97 -7.23 -1.26 -0.86 120.40 112.33 3k83 s VAL 183 Ca 0.00 -0.56 -0.19 0.00 -1.81 0.00 0.00 61.98 59.42 3k83 s VAL 183 Cb 0.00 -0.32 -0.05 0.00 0.56 0.00 0.00 36.38 36.57 3k83 s VAL 183 CO 0.00 -0.31 0.54 -1.00 -0.31 0.00 0.00 175.10 174.02 3k83 s HIS 184 N -1.02 3.59 0.14 2.82 3.76 -0.38 -0.93 115.29 123.28 3k83 s HIS 184 Ca -0.11 1.04 0.06 0.00 -0.15 0.00 0.00 55.06 55.90 3k83 s HIS 184 Cb -0.06 -2.58 -0.04 0.00 1.11 0.00 0.00 32.58 31.01 3k83 s HIS 184 CO 0.01 0.26 0.01 0.95 -0.85 0.00 0.00 174.74 175.11 3k83 s THR 185 N 0.23 3.90 0.65 1.30 -4.23 0.62 -0.51 115.64 117.61 3k83 s THR 185 Ca 0.29 -1.20 -0.16 0.00 -1.18 0.00 0.00 61.69 59.43 3k83 s THR 185 Cb -0.17 -2.92 -0.00 0.00 1.34 0.00 0.00 72.50 70.75 3k83 s THR 185 CO 0.14 -0.01 1.15 0.21 -0.54 0.00 0.00 174.62 175.57 3k83 s ASN 186 N -2.67 4.97 0.05 3.99 2.47 0.84 -2.15 114.94 122.44 3k83 s ASN 186 Ca 0.27 2.17 0.00 0.00 0.42 0.00 0.00 52.86 55.72 3k83 s ASN 186 Cb -0.10 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 37.09 3k83 s ASN 186 CO 0.19 -1.73 -0.04 0.68 -3.72 0.00 0.00 177.10 172.47 3k83 s VAL 187 N -2.07 0.30 0.52 -5.21 -7.23 -1.26 -1.45 120.40 104.00 3k83 s VAL 187 Ca 0.71 -1.42 -0.21 0.00 -1.81 0.00 0.00 61.98 59.25 3k83 s VAL 187 Cb -0.24 -0.99 -0.06 0.00 0.56 0.00 0.00 36.38 35.64 3k83 s VAL 187 CO 0.39 -0.72 1.18 -2.16 -0.31 0.00 0.00 175.10 173.48 3k83 s PRO 188 N -2.75 3.41 -0.43 4.82 0.04 -1.26 -4.31 135.00 134.52 3k83 s PRO 188 Ca -0.02 1.78 -0.44 0.00 0.04 0.00 0.00 61.00 62.35 3k83 s PRO 188 Cb -0.01 -2.17 -0.18 0.00 0.04 0.00 0.00 34.50 32.18 3k83 s PRO 188 CO -0.05 -0.84 1.72 0.94 0.04 0.00 0.00 177.00 178.81 3k83 n GLN 189 N -1.02 0.40 0.00 4.56 7.27 -0.18 -0.34 117.38 128.07 3k83 n GLN 189 Ca 0.10 0.14 0.00 0.00 0.07 0.00 0.00 57.00 57.32 3k83 n GLN 189 Cb 0.49 -1.73 0.00 0.00 2.41 0.00 0.00 30.24 31.41 3k83 n GLN 189 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 3k83 n SER 190 N 4.97 0.00 0.00 1.69 3.41 0.12 -4.12 113.62 119.68 3k83 n SER 190 Ca 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 3k83 n SER 190 Cb 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 3k83 n SER 190 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3k83 n MET 191 N -1.27 0.00 -2.35 4.33 2.81 0.54 -4.79 117.12 116.39 3k83 n MET 191 Ca 0.00 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.47 3k83 n MET 191 Cb 0.00 -1.85 0.00 0.00 -0.71 0.00 0.00 33.22 30.67 3k83 n MET 191 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3k83 n PHE 192 N -2.00 2.87 -3.63 2.03 -0.00 -1.26 -4.55 117.46 110.93 3k83 n PHE 192 Ca 0.00 -2.77 -0.04 0.00 -0.00 0.00 0.00 57.45 54.63 3k83 n PHE 192 Cb 0.00 -1.90 -0.05 0.00 -0.00 0.00 0.00 39.48 37.53 3k83 n PHE 192 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3k83 s SER 193 N 0.68 -0.14 -0.21 -2.13 0.15 -1.26 -5.03 113.70 105.75 3k83 s SER 193 Ca 0.40 0.17 0.15 0.00 0.70 0.00 0.00 55.95 57.36 3k83 s SER 193 Cb 0.10 0.14 0.58 0.00 -1.71 0.00 0.00 66.02 65.13 3k83 s SER 193 CO 0.01 -0.12 1.50 0.00 1.20 0.00 0.00 173.24 175.84 3k83 n TYR 194 N 0.74 1.25 -2.10 3.44 0.18 -1.26 -2.24 117.16 117.17 3k83 n TYR 194 Ca -0.04 -0.98 0.00 0.00 1.88 0.00 0.00 57.90 58.76 3k83 n TYR 194 Cb 0.58 -0.40 0.00 0.00 -0.38 0.00 0.00 39.34 39.15 3k83 n TYR 194 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 3k83 n ASP 195 N -0.43 0.24 -2.76 9.48 4.64 -1.26 -1.76 116.55 124.69 3k83 n ASP 195 Ca 0.26 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.57 3k83 n ASP 195 Cb 1.00 0.00 0.08 0.00 -1.04 0.00 0.00 41.12 41.16 3k83 n ASP 195 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3k83 s SER 197 N -1.37 1.34 0.08 0.00 0.15 -1.26 -0.79 113.70 111.85 3k83 s SER 197 Ca 0.24 -0.49 -0.07 0.00 0.70 0.00 0.00 55.95 56.33 3k83 s SER 197 Cb 0.29 -0.05 -0.01 0.00 -1.71 0.00 0.00 66.02 64.54 3k83 s SER 197 CO -0.06 -0.06 0.13 0.54 1.20 0.00 0.00 173.24 174.99 3k83 s ASN 198 N -1.33 0.22 0.08 5.45 2.20 -1.05 -1.01 114.94 119.50 3k83 s ASN 198 Ca -0.03 -0.75 0.17 0.00 -0.94 0.00 0.00 52.86 51.31 3k83 s ASN 198 Cb -0.08 0.30 0.73 0.00 -2.00 0.00 0.00 41.25 40.19 3k83 s ASN 198 CO 0.01 -0.70 1.54 -2.65 -2.94 0.00 0.00 177.10 172.36 3k83 n PRO 199 N -0.02 0.06 -0.07 3.55 -0.02 -1.26 -0.57 135.00 136.67 3k83 n PRO 199 Ca -0.15 0.31 -0.05 0.00 -2.02 0.00 0.00 63.50 61.59 3k83 n PRO 199 Cb 0.62 -1.61 -0.02 0.00 -0.02 0.00 0.00 33.50 32.46 3k83 n PRO 199 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3k83 h LEU 200 N 0.00 0.00 -1.24 2.45 3.38 -1.92 -3.42 115.31 114.57 3k83 h LEU 200 Ca 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3k83 h LEU 200 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3k83 h LEU 200 CO 0.00 0.75 -0.34 0.49 0.09 0.00 0.00 178.44 179.43 3k83 n PHE 201 N -4.64 0.00 -4.05 1.13 3.01 -1.24 -4.38 117.46 107.28 3k83 n PHE 201 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 3k83 n PHE 201 Cb 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 3k83 n PHE 201 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k83 n GLY 202 N 1.38 -1.53 3.76 1.37 0.00 0.26 -4.92 105.19 105.51 3k83 n GLY 202 Ca 0.10 -1.31 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 3k83 n GLY 202 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k83 s GLN 203 N 0.00 4.21 0.02 1.61 0.74 -1.26 -2.52 119.66 122.46 3k83 s GLN 203 Ca 0.00 0.42 -0.13 0.00 0.05 0.00 0.00 55.36 55.70 3k83 s GLN 203 Cb 0.00 -3.37 -0.06 0.00 1.10 0.00 0.00 33.01 30.69 3k83 s GLN 203 CO 0.00 0.34 0.40 0.99 -0.55 0.00 0.00 175.29 176.47 3k83 s THR 204 N 0.05 5.05 0.13 -0.34 2.01 0.03 -4.73 115.64 117.83 3k83 s THR 204 Ca 0.25 0.74 0.07 0.00 0.31 0.00 0.00 61.69 63.05 3k83 s THR 204 Cb -0.16 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 3k83 s THR 204 CO 0.11 0.51 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.45 3k83 s MET 205 N -1.28 2.24 0.27 4.92 1.00 -0.18 -4.34 119.30 121.93 3k83 s MET 205 Ca 0.26 -1.05 -0.29 0.00 0.00 0.00 0.00 55.69 54.61 3k83 s MET 205 Cb -0.16 -2.33 -0.10 0.00 0.00 0.00 0.00 34.83 32.24 3k83 s MET 205 CO 0.14 0.49 1.31 1.21 0.00 0.00 0.00 175.02 178.18 3k83 s ASN 206 N -2.46 6.83 0.41 3.03 3.84 -0.04 -4.58 114.94 121.97 3k83 s ASN 206 Ca 0.24 2.56 0.27 0.00 0.21 0.00 0.00 52.86 56.15 3k83 s ASN 206 Cb -0.10 -2.63 0.90 0.00 -0.55 0.00 0.00 41.25 38.86 3k83 s ASN 206 CO 0.16 -0.53 1.79 1.55 -2.79 0.00 0.00 177.10 177.28 3k83 h PRO 207 N 4.29 0.00 0.00 0.43 0.13 -1.90 -3.10 132.00 131.85 3k83 h PRO 207 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 3k83 h PRO 207 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 3k83 h PRO 207 CO 0.71 0.00 -0.57 -1.49 -0.23 0.00 0.00 178.00 176.42 3k83 h TRP 208 N 0.00 0.00 -0.87 1.56 4.06 -1.93 -3.45 115.95 115.32 3k83 h TRP 208 Ca 0.00 0.00 0.18 0.00 2.06 0.00 0.00 58.89 61.13 3k83 h TRP 208 Cb 0.67 0.00 -0.23 0.00 -1.00 0.00 0.00 29.16 28.60 3k83 h TRP 208 CO 0.00 0.57 0.15 0.21 -3.56 0.00 0.00 178.44 175.81 3k83 s LYS 209 N -3.01 0.30 0.12 0.49 2.20 -1.17 -5.03 119.74 113.63 3k83 s LYS 209 Ca 0.03 0.68 0.22 0.00 -0.36 0.00 0.00 55.97 56.54 3k83 s LYS 209 Cb 0.08 0.40 0.88 0.00 -1.51 0.00 0.00 37.83 37.69 3k83 s LYS 209 CO 0.75 -0.18 1.68 -1.13 -0.36 0.00 0.00 175.35 176.11 3k83 n SER 210 N 5.15 0.35 -0.17 1.43 3.41 -1.25 -0.53 113.62 122.00 3k83 n SER 210 Ca -0.08 0.56 0.14 0.00 -0.26 0.00 0.00 58.87 59.24 3k83 n SER 210 Cb 0.53 -0.65 0.62 0.00 -0.26 0.00 0.00 64.21 64.45 3k83 n SER 210 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3k83 n SER 211 N -1.86 0.63 -4.90 4.04 3.41 -1.26 -4.60 113.62 109.08 3k83 n SER 211 Ca 0.04 -0.82 -0.35 0.00 -0.26 0.00 0.00 58.87 57.49 3k83 n SER 211 Cb 0.26 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.13 3k83 n SER 211 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3k83 s LYS 212 N -2.33 3.44 0.40 4.33 -0.14 0.31 -1.72 119.74 124.02 3k83 s LYS 212 Ca 0.33 -0.26 -0.27 0.00 -1.36 0.00 0.00 55.97 54.41 3k83 s LYS 212 Cb 0.20 -3.13 -0.09 0.00 -1.68 0.00 0.00 37.83 33.13 3k83 s LYS 212 CO 0.44 0.71 1.35 0.45 -0.76 0.00 0.00 175.35 177.54 3k83 s SER 213 N -1.63 6.33 0.00 2.83 0.15 0.45 -0.86 113.70 120.97 3k83 s SER 213 Ca 0.23 2.75 0.31 0.00 0.70 0.00 0.00 55.95 59.95 3k83 s SER 213 Cb -0.12 -2.65 1.78 0.00 -1.71 0.00 0.00 66.02 63.32 3k83 s SER 213 CO 0.14 -0.85 2.17 -0.81 1.20 0.00 0.00 173.24 175.09 3k83 n PRO 214 N 0.24 0.86 0.00 5.44 -0.04 -1.26 -4.40 135.00 135.85 3k83 n PRO 214 Ca 0.03 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3k83 n PRO 214 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3k83 n PRO 214 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3k83 n GLY 215 N 1.08 -2.35 0.00 0.55 0.00 -1.26 -4.19 105.19 99.02 3k83 n GLY 215 Ca 0.21 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3k83 n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k83 n GLY 216 N -0.42 -0.83 0.06 -0.02 0.00 -0.72 -3.67 105.19 99.59 3k83 n GLY 216 Ca 0.00 -1.02 0.12 0.00 0.00 0.00 0.00 46.02 45.12 3k83 n GLY 216 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k83 n SER 217 N 0.00 0.41 -1.83 1.61 3.41 -0.95 -4.16 113.62 112.11 3k83 n SER 217 Ca 0.00 0.56 -0.09 0.00 -0.26 0.00 0.00 58.87 59.09 3k83 n SER 217 Cb 0.00 -0.66 -0.07 0.00 -0.26 0.00 0.00 64.21 63.21 3k83 n SER 217 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3k83 n SER 218 N -1.91 5.49 0.02 4.04 7.64 -0.56 -4.18 113.62 124.16 3k83 n SER 218 Ca 0.05 -2.56 -0.07 0.00 1.01 0.00 0.00 58.87 57.30 3k83 n SER 218 Cb 0.31 -1.26 0.11 0.00 -1.01 0.00 0.00 64.21 62.36 3k83 n SER 218 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3k83 h GLY 219 N 3.89 0.51 0.99 0.23 0.00 -1.68 -2.05 103.07 104.96 3k83 h GLY 219 Ca 0.14 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3k83 h GLY 219 CO 0.23 0.49 0.30 -1.33 0.00 0.00 0.00 176.54 176.23 3k83 h GLY 220 N 1.14 0.69 0.90 4.60 0.00 -1.49 -0.57 103.07 108.34 3k83 h GLY 220 Ca 0.02 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.09 3k83 h GLY 220 CO 0.09 0.27 0.22 0.83 0.00 0.00 0.00 176.54 177.94 3k83 h GLU 221 N 0.64 0.43 -0.30 4.80 4.39 -1.75 0.23 114.58 123.02 3k83 h GLU 221 Ca 0.17 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.89 3k83 h GLU 221 Cb -0.03 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.48 3k83 h GLU 221 CO -0.03 0.28 0.02 0.78 -1.16 0.00 0.00 179.01 178.90 3k83 h GLY 222 N 0.44 0.31 0.90 -3.84 0.00 -0.87 0.66 103.07 100.67 3k83 h GLY 222 Ca 0.15 0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.39 3k83 h GLY 222 CO -0.07 -0.04 -0.26 0.00 0.00 0.00 0.00 176.54 176.16 3k83 h ALA 223 N 1.24 0.35 0.31 3.60 0.00 -0.92 -0.71 119.26 123.13 3k83 h ALA 223 Ca 0.14 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3k83 h ALA 223 Cb 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3k83 h ALA 223 CO -0.22 0.34 -0.15 1.25 0.00 0.00 0.00 179.25 180.47 3k83 h LEU 224 N 0.29 -0.36 -0.94 0.00 5.85 -0.69 -2.48 115.31 116.98 3k83 h LEU 224 Ca 0.03 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 3k83 h LEU 224 Cb 0.83 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3k83 h LEU 224 CO 0.06 -0.06 -0.01 0.40 -0.34 0.00 0.00 178.44 178.50 3k83 h ILE 225 N -0.67 1.24 0.00 4.05 2.04 -0.94 -0.91 117.51 122.31 3k83 h ILE 225 Ca -0.04 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.82 3k83 h ILE 225 Cb 0.47 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3k83 h ILE 225 CO 0.07 0.35 0.00 1.23 0.00 0.00 0.00 178.15 179.80 3k83 h GLY 226 N 0.96 0.00 -0.86 5.37 0.00 -1.05 -2.24 103.07 105.26 3k83 h GLY 226 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3k83 h GLY 226 CO 0.02 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.42 3k83 n SER 227 N -2.58 2.23 0.00 0.19 3.41 -0.94 -4.99 113.62 110.94 3k83 n SER 227 Ca 0.01 -1.68 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 3k83 n SER 227 Cb 0.24 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3k83 n SER 227 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k83 n GLY 228 N 0.40 0.89 0.21 5.00 0.00 -0.84 -4.97 105.19 105.88 3k83 n GLY 228 Ca 0.07 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.19 3k83 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k83 n GLY 229 N -2.21 -0.69 3.62 -0.02 0.00 -0.38 -4.82 105.19 100.69 3k83 n GLY 229 Ca 0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 3k83 n GLY 229 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k83 s SER 230 N -2.38 -0.79 0.00 1.61 0.15 -1.25 -4.10 113.70 106.94 3k83 s SER 230 Ca 0.30 1.45 0.26 0.00 0.70 0.00 0.00 55.95 58.66 3k83 s SER 230 Cb 0.20 1.43 0.71 0.00 -1.71 0.00 0.00 66.02 66.65 3k83 s SER 230 CO 0.46 -0.24 1.55 -0.81 1.20 0.00 0.00 173.24 175.40 3k83 n PRO 231 N 3.12 0.05 -3.64 5.44 -0.04 -1.26 -4.47 135.00 134.20 3k83 n PRO 231 Ca -0.16 -0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.19 3k83 n PRO 231 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 3k83 n PRO 231 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3k83 s LEU 232 N -2.97 -0.67 0.22 1.53 2.96 -1.26 -4.43 118.68 114.06 3k83 s LEU 232 Ca 0.13 1.19 -0.02 0.00 -0.22 0.00 0.00 54.13 55.20 3k83 s LEU 232 Cb 0.18 2.15 -0.03 0.00 0.50 0.00 0.00 46.19 48.98 3k83 s LEU 232 CO 0.65 -0.20 0.21 -0.83 -1.32 0.00 0.00 176.35 174.86 3k83 s GLY 233 N 0.87 1.36 -0.04 7.98 0.00 -0.54 -1.08 107.32 115.86 3k83 s GLY 233 Ca -0.04 -1.59 0.07 0.00 0.00 0.00 0.00 44.72 43.16 3k83 s GLY 233 CO -0.10 -1.27 -0.25 1.08 0.00 0.00 0.00 173.10 172.57 3k83 s LEU 234 N -3.15 2.05 0.00 0.66 1.43 -1.01 -0.84 118.68 117.82 3k83 s LEU 234 Ca 0.36 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.99 3k83 s LEU 234 Cb 0.05 -1.32 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 3k83 s LEU 234 CO 0.13 0.26 0.06 0.61 0.23 0.00 0.00 176.35 177.64 3k83 n GLY 235 N 2.78 3.60 3.30 -3.19 0.00 -0.19 -2.43 105.19 109.05 3k83 n GLY 235 Ca -0.17 -2.19 -0.16 0.00 0.00 0.00 0.00 46.02 43.51 3k83 n GLY 235 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k83 s THR 236 N -2.51 0.84 -0.27 2.61 -4.23 -1.26 -2.10 115.64 108.71 3k83 s THR 236 Ca 0.08 -2.01 -0.06 0.00 -1.18 0.00 0.00 61.69 58.52 3k83 s THR 236 Cb 0.00 -2.32 0.14 0.00 1.34 0.00 0.00 72.50 71.67 3k83 s THR 236 CO 0.06 -0.32 0.56 -0.62 -0.54 0.00 0.00 174.62 173.76 3k83 s ASP 237 N -3.26 -0.89 -0.01 3.99 3.68 0.58 -3.13 116.67 117.62 3k83 s ASP 237 Ca 0.28 1.08 0.08 0.00 2.13 0.00 0.00 52.55 56.13 3k83 s ASP 237 Cb 0.06 1.95 -0.12 0.00 -1.45 0.00 0.00 42.92 43.36 3k83 s ASP 237 CO 0.08 -0.24 0.19 0.00 0.13 0.00 0.00 175.17 175.33 3k83 n ILE 238 N 5.42 0.00 -1.46 4.11 3.06 -1.26 -1.18 119.36 128.05 3k83 n ILE 238 Ca -0.07 -0.20 0.00 0.00 -2.50 0.00 0.00 62.75 59.98 3k83 n ILE 238 Cb 0.50 0.39 0.00 0.00 0.54 0.00 0.00 39.64 41.07 3k83 n ILE 238 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3k83 n GLY 239 N 1.95 -0.32 0.00 4.50 0.00 -1.26 -4.76 105.19 105.31 3k83 n GLY 239 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3k83 n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k83 n GLY 240 N 0.00 -0.84 0.00 -0.02 0.00 -1.26 -3.08 105.19 99.99 3k83 n GLY 240 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3k83 n GLY 240 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k83 n SER 241 N 0.00 0.00 -0.08 1.61 7.64 -1.26 0.07 113.62 121.61 3k83 n SER 241 Ca 0.00 0.39 -0.15 0.00 1.01 0.00 0.00 58.87 60.12 3k83 n SER 241 Cb 0.00 -0.43 -0.14 0.00 -1.01 0.00 0.00 64.21 62.64 3k83 n SER 241 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3k83 n ILE 242 N -1.43 1.54 0.09 0.44 5.41 -1.18 -1.50 119.36 122.73 3k83 n ILE 242 Ca 0.03 -0.71 -0.22 0.00 1.00 0.00 0.00 62.75 62.84 3k83 n ILE 242 Cb 0.08 -1.14 -0.15 0.00 -0.71 0.00 0.00 39.64 37.72 3k83 n ILE 242 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3k83 h ARG 243 N 0.01 0.41 -0.06 0.38 3.08 -0.71 -2.93 114.38 114.57 3k83 h ARG 243 Ca -0.49 -0.70 0.04 0.00 0.07 0.00 0.00 59.98 58.89 3k83 h ARG 243 Cb 2.05 0.26 -0.04 0.00 0.08 0.00 0.00 29.97 32.32 3k83 h ARG 243 CO 0.01 1.34 -0.20 0.74 -1.07 0.00 0.00 179.97 180.78 3k83 h PHE 244 N -0.14 -0.52 -0.14 3.04 0.04 -0.62 -0.36 116.94 118.24 3k83 h PHE 244 Ca -0.20 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.47 3k83 h PHE 244 Cb 1.88 0.24 -0.01 0.00 2.20 0.00 0.00 35.95 40.26 3k83 h PHE 244 CO 0.17 -0.28 -0.47 -1.00 -0.60 0.00 0.00 178.31 176.13 3k83 h PRO 245 N -0.29 0.36 -0.26 1.51 0.13 -1.73 1.00 132.00 132.72 3k83 h PRO 245 Ca 0.08 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 3k83 h PRO 245 Cb 0.40 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 3k83 h PRO 245 CO -0.23 0.76 0.14 0.77 -0.23 0.00 0.00 178.00 179.21 3k83 h SER 246 N 0.29 0.33 -0.22 1.44 0.02 -1.32 -1.39 113.55 112.70 3k83 h SER 246 Ca 0.02 -0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 3k83 h SER 246 Cb 0.94 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 3k83 h SER 246 CO 0.08 0.34 -0.20 0.00 -1.14 0.00 0.00 176.83 175.91 3k83 h ALA 247 N 1.01 0.33 -0.10 3.77 0.00 -0.75 0.38 119.26 123.89 3k83 h ALA 247 Ca 0.09 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3k83 h ALA 247 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3k83 h ALA 247 CO -0.01 0.26 -0.14 0.74 0.00 0.00 0.00 179.25 180.09 3k83 h PHE 248 N 0.23 0.16 -0.04 0.00 -1.00 -0.74 -2.82 116.94 112.74 3k83 h PHE 248 Ca 0.04 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.80 3k83 h PHE 248 Cb 0.74 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.25 3k83 h PHE 248 CO 0.08 0.30 0.00 0.00 -1.61 0.00 0.00 178.31 177.08 3k83 n GLY 250 N 1.15 0.72 3.48 0.00 0.00 -0.52 -4.70 105.19 105.31 3k83 n GLY 250 Ca 0.12 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 3k83 n GLY 250 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3k83 s ILE 251 N -2.69 1.01 0.03 -0.61 -4.36 0.01 -4.86 121.20 109.73 3k83 s ILE 251 Ca 0.01 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.30 3k83 s ILE 251 Cb -0.01 -2.64 -0.05 0.00 1.25 0.00 0.00 42.46 41.01 3k83 s ILE 251 CO 0.02 0.00 0.36 0.00 0.24 0.00 0.00 174.94 175.55 3k83 s GLY 253 N -1.53 -0.01 -0.06 0.00 0.00 -1.10 -0.84 107.32 103.78 3k83 s GLY 253 Ca 0.28 0.00 0.02 0.00 0.00 0.00 0.00 44.72 45.03 3k83 s GLY 253 CO 0.15 -0.16 -0.12 -2.27 0.00 0.00 0.00 173.10 170.71 3k83 s LEU 254 N -1.36 1.67 -0.39 0.66 2.96 -0.89 -0.85 118.68 120.48 3k83 s LEU 254 Ca -0.14 -0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 53.42 3k83 s LEU 254 Cb -0.07 -0.78 0.08 0.00 0.50 0.00 0.00 46.19 45.91 3k83 s LEU 254 CO 0.02 0.05 0.19 -0.75 -1.32 0.00 0.00 176.35 174.54 3k83 s LYS 255 N 0.55 2.45 0.99 1.98 2.20 0.49 -3.81 119.74 124.58 3k83 s LYS 255 Ca -0.12 -1.47 -0.14 0.00 -0.36 0.00 0.00 55.97 53.88 3k83 s LYS 255 Cb -0.14 -3.61 0.18 0.00 -1.51 0.00 0.00 37.83 32.75 3k83 s LYS 255 CO 0.03 -0.89 1.15 -2.14 -0.36 0.00 0.00 175.35 173.14 3k83 s PRO 256 N 1.34 0.51 0.26 4.03 0.02 -1.26 -0.86 135.00 139.04 3k83 s PRO 256 Ca 0.02 0.15 -0.28 0.00 0.02 0.00 0.00 61.00 60.91 3k83 s PRO 256 Cb -0.22 -1.78 -0.15 0.00 0.02 0.00 0.00 34.50 32.37 3k83 s PRO 256 CO 0.00 -2.60 0.87 2.41 -0.33 0.00 0.00 177.00 177.36 3k83 n THR 257 N -4.02 1.98 -0.33 0.99 -1.04 -1.26 -4.63 114.28 105.98 3k83 n THR 257 Ca 0.09 -0.50 0.13 0.00 -2.04 0.00 0.00 64.05 61.74 3k83 n THR 257 Cb 0.59 -0.71 0.32 0.00 -1.82 0.00 0.00 70.33 68.71 3k83 n THR 257 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3k83 h GLY 258 N 1.72 1.69 -2.88 3.41 0.00 -1.86 -1.72 103.07 103.43 3k83 h GLY 258 Ca -0.36 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3k83 h GLY 258 CO 0.60 -0.17 0.00 -2.01 0.00 0.00 0.00 176.54 174.96 3k83 n ASN 259 N -4.90 5.01 -0.15 0.19 5.15 -1.26 -4.30 115.26 115.01 3k83 n ASN 259 Ca 0.23 -2.85 -0.07 0.00 -0.60 0.00 0.00 54.58 51.29 3k83 n ASN 259 Cb 0.62 -0.62 0.09 0.00 -0.53 0.00 0.00 39.78 39.35 3k83 n ASN 259 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 3k83 h ARG 260 N 3.36 0.92 -6.62 1.20 9.65 -1.66 -3.39 114.38 117.84 3k83 h ARG 260 Ca 0.00 -0.29 -0.66 0.00 -1.10 0.00 0.00 59.98 57.94 3k83 h ARG 260 Cb 1.72 -0.09 -0.19 0.00 -1.39 0.00 0.00 29.97 30.03 3k83 h ARG 260 CO 0.36 0.93 -0.82 -0.51 2.80 0.00 0.00 179.97 182.74 3k83 s LEU 261 N -9.20 2.46 0.13 3.80 1.43 -1.26 -4.88 118.68 111.17 3k83 s LEU 261 Ca -0.10 -0.84 -0.31 0.00 -1.03 0.00 0.00 54.13 51.85 3k83 s LEU 261 Cb 0.14 -1.21 -0.08 0.00 0.03 0.00 0.00 46.19 45.08 3k83 s LEU 261 CO 0.84 0.12 1.28 -0.55 0.23 0.00 0.00 176.35 178.27 3k83 s SER 262 N -2.63 6.96 0.00 2.29 0.15 -1.26 -4.86 113.70 114.34 3k83 s SER 262 Ca 0.21 2.24 0.23 0.00 0.70 0.00 0.00 55.95 59.33 3k83 s SER 262 Cb -0.08 -2.59 0.50 0.00 -1.71 0.00 0.00 66.02 62.14 3k83 s SER 262 CO 0.10 -0.52 1.45 0.29 1.20 0.00 0.00 173.24 175.76 3k83 n LYS 263 N 3.36 2.59 -1.73 5.44 5.02 -1.26 -4.63 118.16 126.96 3k83 n LYS 263 Ca 0.08 -2.43 -0.42 0.00 -2.02 0.00 0.00 58.31 53.52 3k83 n LYS 263 Cb 0.44 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.89 3k83 n LYS 263 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3k83 s SER 264 N -1.31 6.43 0.00 4.39 0.15 -1.26 -2.16 113.70 119.94 3k83 s SER 264 Ca 0.42 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.62 3k83 s SER 264 Cb 0.24 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 3k83 s SER 264 CO 0.32 -1.09 0.00 0.61 1.20 0.00 0.00 173.24 174.29 3k83 n GLY 265 N 4.55 0.86 3.77 9.45 0.00 -1.26 -1.98 105.19 120.57 3k83 n GLY 265 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 3k83 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k83 s LEU 266 N 0.00 4.21 0.00 0.99 1.02 -0.92 -4.18 118.68 119.81 3k83 s LEU 266 Ca 0.00 2.66 -0.29 0.00 0.02 0.00 0.00 54.13 56.52 3k83 s LEU 266 Cb 0.00 -3.90 -0.03 0.00 0.02 0.00 0.00 46.19 42.27 3k83 s LEU 266 CO 0.00 -0.85 0.94 -0.75 0.02 0.00 0.00 176.35 175.70 3k83 s LYS 267 N -2.24 4.56 0.45 1.70 2.47 -0.41 -4.95 119.74 121.31 3k83 s LYS 267 Ca 0.57 1.34 0.03 0.00 -1.56 0.00 0.00 55.97 56.35 3k83 s LYS 267 Cb -0.38 -3.45 -0.02 0.00 -1.46 0.00 0.00 37.83 32.53 3k83 s LYS 267 CO 0.49 0.00 0.10 0.20 0.16 0.00 0.00 175.35 176.30 3k83 s GLY 268 N 0.85 2.81 0.00 5.54 0.00 -1.26 -4.83 107.32 110.43 3k83 s GLY 268 Ca 0.49 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.34 3k83 s GLY 268 CO 0.27 -1.95 0.00 0.00 0.00 0.00 0.00 173.10 171.42 3k83 s VAL 270 N -0.92 0.94 -0.09 0.00 1.01 -1.26 -4.63 120.40 115.45 3k83 s VAL 270 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.68 3k83 s VAL 270 Cb 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 3k83 s VAL 270 CO 0.00 0.32 -0.21 -0.31 0.00 0.00 0.00 175.10 174.90 3k83 s TYR 271 N 0.96 2.59 0.00 5.22 2.02 -1.26 -4.67 117.35 122.21 3k83 s TYR 271 Ca -0.10 -0.79 0.00 0.00 -0.37 0.00 0.00 57.07 55.82 3k83 s TYR 271 Cb -0.15 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.72 3k83 s TYR 271 CO 0.00 -0.26 0.00 0.41 -1.57 0.00 0.00 175.55 174.13 3k83 n GLY 272 N 3.24 0.69 3.61 0.71 0.00 -1.26 -5.02 105.19 107.16 3k83 n GLY 272 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 3k83 n GLY 272 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3k83 s GLN 273 N -0.21 3.90 0.00 1.61 -0.44 -1.26 -4.89 119.66 118.37 3k83 s GLN 273 Ca 0.00 0.58 0.00 0.00 -2.50 0.00 0.00 55.36 53.44 3k83 s GLN 273 Cb 0.00 -3.76 0.00 0.00 -1.64 0.00 0.00 33.01 27.61 3k83 s GLN 273 CO 0.00 -0.80 0.19 0.25 0.50 0.00 0.00 175.29 175.44 3k83 n THR 274 N 5.72 0.00 0.04 -0.34 -2.24 -1.26 -4.72 114.28 111.47 3k83 n THR 274 Ca 0.05 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 3k83 n THR 274 Cb 0.48 1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.79 3k83 n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k83 h ALA 275 N 0.00 -0.06 -3.37 6.98 0.00 -1.90 -3.37 119.26 117.54 3k83 h ALA 275 Ca 0.00 0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.24 3k83 h ALA 275 Cb 0.07 0.13 -0.34 0.00 0.00 0.00 0.00 17.79 17.64 3k83 h ALA 275 CO 0.00 -0.56 -0.64 0.08 0.00 0.00 0.00 179.25 178.13 3k83 s VAL 276 N -6.17 3.03 0.33 0.00 1.01 -1.26 -4.98 120.40 112.35 3k83 s VAL 276 Ca -0.14 -1.79 -0.22 0.00 0.00 0.00 0.00 61.98 59.83 3k83 s VAL 276 Cb 0.08 -2.94 -0.10 0.00 0.00 0.00 0.00 36.38 33.42 3k83 s VAL 276 CO 0.67 -0.42 0.87 -1.10 0.00 0.00 0.00 175.10 175.12 3k83 s GLN 277 N 1.16 4.34 0.41 2.72 -0.21 -1.26 -4.98 119.66 121.84 3k83 s GLN 277 Ca 0.03 1.08 -0.24 0.00 0.02 0.00 0.00 55.36 56.25 3k83 s GLN 277 Cb -0.21 -2.60 -0.09 0.00 1.00 0.00 0.00 33.01 31.12 3k83 s GLN 277 CO -0.03 0.20 1.10 -1.17 -2.12 0.00 0.00 175.29 173.28 3k83 s LEU 278 N -2.47 4.14 0.03 2.90 2.96 -1.26 -4.79 118.68 120.20 3k83 s LEU 278 Ca 0.52 2.18 0.05 0.00 -0.22 0.00 0.00 54.13 56.66 3k83 s LEU 278 Cb -0.14 -4.13 -0.02 0.00 0.50 0.00 0.00 46.19 42.39 3k83 s LEU 278 CO 0.19 -0.61 -0.15 -0.55 -1.32 0.00 0.00 176.35 173.92 3k83 s SER 279 N -1.39 1.75 0.13 3.68 0.15 -0.33 -4.63 113.70 113.07 3k83 s SER 279 Ca 0.58 -0.43 0.08 0.00 0.70 0.00 0.00 55.95 56.88 3k83 s SER 279 Cb -0.26 -0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 3k83 s SER 279 CO 0.32 0.07 -0.11 -1.48 1.20 0.00 0.00 173.24 173.24 3k83 s LEU 280 N -1.00 2.96 0.05 3.45 0.05 -1.26 -0.31 118.68 122.61 3k83 s LEU 280 Ca 0.03 -0.47 -0.28 0.00 0.05 0.00 0.00 54.13 53.46 3k83 s LEU 280 Cb -0.08 -1.74 0.10 0.00 -2.05 0.00 0.00 46.19 42.43 3k83 s LEU 280 CO 0.01 0.16 1.19 -0.83 -0.55 0.00 0.00 176.35 176.33 3k83 s GLY 281 N -2.36 -0.24 0.38 -3.48 0.00 -0.89 -4.40 107.32 96.32 3k83 s GLY 281 Ca 0.22 0.29 -0.08 0.00 0.00 0.00 0.00 44.72 45.15 3k83 s GLY 281 CO 0.13 1.60 0.70 2.56 0.00 0.00 0.00 173.10 178.09 3k83 s PRO 282 N -2.45 3.70 0.06 2.90 0.04 -1.25 -1.02 135.00 136.98 3k83 s PRO 282 Ca 0.18 0.28 0.06 0.00 0.04 0.00 0.00 61.00 61.55 3k83 s PRO 282 Cb 0.01 -2.48 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 3k83 s PRO 282 CO -0.01 0.03 -0.15 -1.64 0.04 0.00 0.00 177.00 175.27 3k83 s MET 283 N -3.86 0.94 0.09 4.56 -1.94 -0.02 -2.09 119.30 116.98 3k83 s MET 283 Ca 0.48 -0.91 -0.26 0.00 -1.71 0.00 0.00 55.69 53.29 3k83 s MET 283 Cb -0.10 -0.99 0.09 0.00 2.01 0.00 0.00 34.83 35.83 3k83 s MET 283 CO 0.32 0.23 1.15 0.00 -0.01 0.00 0.00 175.02 176.71 3k83 s ALA 284 N -1.08 -1.97 -0.47 3.03 0.00 -0.02 -1.47 121.76 119.78 3k83 s ALA 284 Ca 0.01 -0.04 0.23 0.00 0.00 0.00 0.00 51.96 52.17 3k83 s ALA 284 Cb -0.09 0.74 0.39 0.00 0.00 0.00 0.00 23.12 24.16 3k83 s ALA 284 CO 0.02 -1.09 1.59 0.00 0.00 0.00 0.00 175.76 176.28 3k83 h ARG 285 N 2.00 0.00 -3.67 0.00 3.08 -1.83 0.20 114.38 114.15 3k83 h ARG 285 Ca -0.26 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.72 3k83 h ARG 285 Cb 1.21 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.14 3k83 h ARG 285 CO 0.33 0.00 -0.19 0.16 -1.07 0.00 0.00 179.97 179.20 3k83 s ASP 286 N -5.85 -0.07 0.20 7.04 3.84 -1.26 -4.49 116.67 116.09 3k83 s ASP 286 Ca 0.07 -0.75 -0.07 0.00 -0.00 0.00 0.00 52.55 51.80 3k83 s ASP 286 Cb 0.07 0.49 0.14 0.00 -1.38 0.00 0.00 42.92 42.24 3k83 s ASP 286 CO 0.67 -0.97 1.65 0.58 -0.00 0.00 0.00 175.17 177.10 3k83 h VAL 287 N 2.41 1.26 -0.98 2.11 2.07 -1.93 -2.85 116.25 118.34 3k83 h VAL 287 Ca -0.30 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.06 3k83 h VAL 287 Cb 1.24 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 3k83 h VAL 287 CO 0.44 0.42 0.64 -0.08 0.02 0.00 0.00 177.57 179.01 3k83 h GLU 288 N 0.87 1.22 -0.98 1.57 4.57 -1.97 -0.96 114.58 118.91 3k83 h GLU 288 Ca 0.15 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3k83 h GLU 288 Cb 0.60 -0.28 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 3k83 h GLU 288 CO 0.04 0.81 0.64 0.77 -1.18 0.00 0.00 179.01 180.09 3k83 h SER 289 N 1.26 1.09 -0.31 1.04 0.02 -1.92 -0.27 113.55 114.47 3k83 h SER 289 Ca 0.38 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 3k83 h SER 289 Cb -0.04 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.22 3k83 h SER 289 CO -0.11 0.77 0.15 -0.07 -1.14 0.00 0.00 176.83 176.44 3k83 h LEU 290 N 1.28 0.40 -0.16 5.07 3.38 -1.19 -0.78 115.31 123.30 3k83 h LEU 290 Ca 0.37 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.25 3k83 h LEU 290 Cb -0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3k83 h LEU 290 CO -0.10 0.41 0.02 0.00 0.09 0.00 0.00 178.44 178.85 3k83 h ALA 291 N 1.01 0.15 -0.09 1.53 0.00 -0.87 -0.99 119.26 120.01 3k83 h ALA 291 Ca 0.11 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3k83 h ALA 291 Cb 0.11 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3k83 h ALA 291 CO -0.01 -0.43 -0.13 1.25 0.00 0.00 0.00 179.25 179.93 3k83 h LEU 292 N 0.08 -0.40 -0.24 0.00 5.85 -0.95 0.13 115.31 119.78 3k83 h LEU 292 Ca 0.07 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3k83 h LEU 292 Cb 0.08 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.24 3k83 h LEU 292 CO -0.11 -0.18 -0.14 0.00 -0.34 0.00 0.00 178.44 177.67 3k83 h LEU 294 N -0.12 0.93 -1.12 0.00 5.85 -0.97 0.69 115.31 120.57 3k83 h LEU 294 Ca 0.13 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 3k83 h LEU 294 Cb 0.32 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3k83 h LEU 294 CO -0.31 0.66 -0.10 0.50 -0.34 0.00 0.00 178.44 178.85 3k83 h LYS 295 N 1.10 0.50 -0.10 1.25 3.64 0.08 -1.39 116.57 121.65 3k83 h LYS 295 Ca 0.32 -0.14 -0.22 0.00 -1.27 0.00 0.00 60.65 59.34 3k83 h LYS 295 Cb -0.07 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3k83 h LYS 295 CO -0.09 0.60 -0.81 0.00 -2.27 0.00 0.00 179.45 176.88 3k83 h ALA 296 N 1.43 0.24 -0.08 5.00 0.00 0.21 -3.25 119.26 122.81 3k83 h ALA 296 Ca 0.09 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 3k83 h ALA 296 Cb 0.45 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3k83 h ALA 296 CO 0.02 0.64 -0.50 -0.07 0.00 0.00 0.00 179.25 179.34 3k83 h LEU 297 N 0.43 0.21 -5.78 0.00 3.38 -0.75 -3.34 115.31 109.47 3k83 h LEU 297 Ca -0.07 -0.10 -0.73 0.00 0.09 0.00 0.00 57.88 57.06 3k83 h LEU 297 Cb 1.45 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 42.03 3k83 h LEU 297 CO 0.16 0.68 2.54 0.18 0.09 0.00 0.00 178.44 182.10 3k83 n LEU 298 N -3.95 7.74 -4.54 1.67 4.77 -0.54 -4.42 117.00 117.74 3k83 n LEU 298 Ca -0.02 -4.73 -0.25 0.00 -0.03 0.00 0.00 56.01 50.99 3k83 n LEU 298 Cb 0.54 -1.43 -0.11 0.00 -2.33 0.00 0.00 43.42 40.09 3k83 n LEU 298 CO 0.43 1.85 -0.30 0.00 -1.33 0.00 0.00 177.39 178.04 3k83 h GLU 300 N 1.96 0.42 -0.44 0.00 4.39 -1.94 -0.43 114.58 118.54 3k83 h GLU 300 Ca -0.42 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.32 3k83 h GLU 300 Cb 1.24 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.74 3k83 h GLU 300 CO 0.75 0.28 0.10 0.45 -1.16 0.00 0.00 179.01 179.43 3k83 h HIS 301 N 0.43 0.17 -0.34 4.33 3.86 -1.96 0.10 115.15 121.74 3k83 h HIS 301 Ca 0.69 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.88 3k83 h HIS 301 Cb 1.51 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.96 3k83 h HIS 301 CO -0.01 0.03 0.07 1.25 0.86 0.00 0.00 177.93 180.13 3k83 h LEU 302 N 0.24 0.53 -1.16 2.43 5.85 -1.30 -1.45 115.31 120.44 3k83 h LEU 302 Ca 0.21 -0.25 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 3k83 h LEU 302 Cb 0.25 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3k83 h LEU 302 CO -0.26 0.64 -0.41 -0.26 -0.34 0.00 0.00 178.44 177.81 3k83 h PHE 303 N 0.40 0.00 0.11 1.25 0.04 -0.88 -0.95 116.94 116.91 3k83 h PHE 303 Ca 0.11 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.55 3k83 h PHE 303 Cb 0.33 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3k83 h PHE 303 CO 0.02 0.41 -1.69 1.79 -0.60 0.00 0.00 178.31 178.24 3k83 h THR 304 N 0.00 0.96 0.00 -1.55 1.35 -0.80 -3.10 112.91 109.76 3k83 h THR 304 Ca -0.00 -2.64 -0.06 0.00 -0.55 0.00 0.00 66.41 63.16 3k83 h THR 304 Cb 0.75 2.65 -0.01 0.00 -1.73 0.00 0.00 68.15 69.81 3k83 h THR 304 CO 0.05 0.79 -0.26 -0.07 -0.25 0.00 0.00 175.52 175.78 3k83 h LEU 305 N 0.06 0.00 -6.49 3.87 3.38 -1.11 -3.36 115.31 111.67 3k83 h LEU 305 Ca -0.30 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.08 3k83 h LEU 305 Cb 2.03 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 42.39 3k83 h LEU 305 CO 0.13 0.26 -0.91 -0.62 0.09 0.00 0.00 178.44 177.40 3k83 s ASP 306 N -6.92 2.21 0.57 -0.43 3.68 -0.37 -4.98 116.67 110.42 3k83 s ASP 306 Ca -0.03 -2.66 0.38 0.00 2.13 0.00 0.00 52.55 52.37 3k83 s ASP 306 Cb 0.15 -0.44 2.08 0.00 -1.45 0.00 0.00 42.92 43.26 3k83 s ASP 306 CO 0.70 -0.24 2.17 -0.65 0.13 0.00 0.00 175.17 177.29 3k83 h PRO 307 N 6.29 0.00 0.00 4.34 0.11 -1.70 -2.01 132.00 139.03 3k83 h PRO 307 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3k83 h PRO 307 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3k83 h PRO 307 CO 0.33 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.37 3k83 n THR 308 N -2.85 0.81 -3.18 -1.15 -2.24 -1.26 -4.65 114.28 99.77 3k83 n THR 308 Ca -0.03 0.18 -0.39 0.00 -2.27 0.00 0.00 64.05 61.54 3k83 n THR 308 Cb 0.06 -1.08 -0.06 0.00 -2.10 0.00 0.00 70.33 67.15 3k83 n THR 308 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3k83 s VAL 309 N -3.27 5.07 0.16 2.28 1.01 -0.76 -5.02 120.40 119.87 3k83 s VAL 309 Ca 0.05 1.10 -0.33 0.00 0.00 0.00 0.00 61.98 62.80 3k83 s VAL 309 Cb 0.10 -3.90 -0.13 0.00 0.00 0.00 0.00 36.38 32.44 3k83 s VAL 309 CO 0.40 0.17 1.64 -0.81 0.00 0.00 0.00 175.10 176.51 3k83 n PRO 310 N 4.72 2.34 -1.92 2.72 -0.04 -1.26 -4.83 135.00 136.72 3k83 n PRO 310 Ca -0.03 0.85 -0.42 0.00 -0.04 0.00 0.00 63.50 63.85 3k83 n PRO 310 Cb 0.50 -2.64 -0.01 0.00 -0.04 0.00 0.00 33.50 31.31 3k83 n PRO 310 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3k83 n PRO 311 N 3.86 2.82 -3.26 0.54 -0.04 -1.26 -4.87 135.00 132.78 3k83 n PRO 311 Ca 0.17 -2.73 -0.45 0.00 -0.04 0.00 0.00 63.50 60.45 3k83 n PRO 311 Cb 0.31 -3.33 -0.06 0.00 -0.04 0.00 0.00 33.50 30.38 3k83 n PRO 311 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3k83 s LEU 312 N 2.89 5.76 0.73 1.53 1.43 -1.26 -5.07 118.68 124.69 3k83 s LEU 312 Ca 0.50 -1.52 -0.15 0.00 -1.03 0.00 0.00 54.13 51.93 3k83 s LEU 312 Cb 0.11 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 44.12 3k83 s LEU 312 CO -0.03 -0.88 1.20 -2.16 0.23 0.00 0.00 176.35 174.71 3k83 s PRO 313 N 1.98 2.17 -0.08 1.29 0.04 -1.26 -4.91 135.00 134.23 3k83 s PRO 313 Ca 0.06 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.54 3k83 s PRO 313 Cb -0.26 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 3k83 s PRO 313 CO 0.05 -1.80 1.83 0.12 0.04 0.00 0.00 177.00 177.24 3k83 s PHE 314 N -2.02 1.65 -0.93 0.56 5.36 -1.26 -4.93 117.98 116.41 3k83 s PHE 314 Ca 0.74 0.08 -0.23 0.00 -0.96 0.00 0.00 56.93 56.55 3k83 s PHE 314 Cb -0.28 -4.05 0.06 0.00 -0.34 0.00 0.00 43.02 38.41 3k83 s PHE 314 CO 0.45 -4.31 1.35 1.03 -1.46 0.00 0.00 175.22 172.28 3k83 s ARG 315 N 4.61 3.49 0.17 10.12 0.52 -1.26 -4.88 118.95 131.71 3k83 s ARG 315 Ca 0.82 -1.03 -0.14 0.00 -0.52 0.00 0.00 55.73 54.86 3k83 s ARG 315 Cb -0.35 -5.01 0.06 0.00 0.52 0.00 0.00 34.95 30.17 3k83 s ARG 315 CO 0.34 -2.12 1.80 0.93 0.02 0.00 0.00 175.30 176.28 3k83 h GLU 316 N 9.70 0.71 -0.63 3.54 4.39 -1.99 -2.03 114.58 128.26 3k83 h GLU 316 Ca 0.08 -0.07 0.13 0.00 0.34 0.00 0.00 59.36 59.84 3k83 h GLU 316 Cb 1.02 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.49 3k83 h GLU 316 CO 1.34 0.52 0.43 1.05 -1.16 0.00 0.00 179.01 181.19 3k83 h GLU 317 N 0.70 0.30 -0.03 2.33 9.09 -1.96 0.33 114.58 125.34 3k83 h GLU 317 Ca 0.19 -0.02 -0.03 0.00 0.05 0.00 0.00 59.36 59.54 3k83 h GLU 317 Cb -0.00 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.03 3k83 h GLU 317 CO -0.03 0.20 -0.11 0.28 0.05 0.00 0.00 179.01 179.39 3k83 h VAL 318 N 0.31 1.48 -0.91 -1.06 2.07 -1.76 -2.64 116.25 113.73 3k83 h VAL 318 Ca 0.30 -1.58 0.06 0.00 0.82 0.00 0.00 66.70 66.31 3k83 h VAL 318 Cb 0.76 2.45 -0.06 0.00 -1.52 0.00 0.00 31.29 32.91 3k83 h VAL 318 CO -0.07 0.43 0.58 0.22 0.02 0.00 0.00 177.57 178.74 3k83 h TYR 319 N -0.45 1.07 -0.04 1.57 3.20 -0.86 -2.59 116.97 118.85 3k83 h TYR 319 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3k83 h TYR 319 Cb 0.76 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.68 3k83 h TYR 319 CO 0.14 0.54 0.00 0.54 -1.64 0.00 0.00 178.16 177.75 3k83 n ARG 320 N -4.58 1.57 -1.71 1.82 1.74 0.11 -4.39 116.66 111.21 3k83 n ARG 320 Ca 0.14 -0.83 -0.37 0.00 -0.77 0.00 0.00 57.85 56.01 3k83 n ARG 320 Cb 0.18 -1.46 0.06 0.00 -1.02 0.00 0.00 32.46 30.22 3k83 n ARG 320 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3k83 n SER 321 N 0.01 2.00 -2.41 0.55 2.88 -0.98 -4.96 113.62 110.71 3k83 n SER 321 Ca 0.19 0.86 0.00 0.00 -1.33 0.00 0.00 58.87 58.59 3k83 n SER 321 Cb 0.31 -1.53 0.04 0.00 -0.75 0.00 0.00 64.21 62.28 3k83 n SER 321 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3k83 n SER 322 N -1.54 1.58 -4.83 -3.46 3.41 -1.26 -5.02 113.62 102.50 3k83 n SER 322 Ca 0.14 -2.13 -0.32 0.00 -0.26 0.00 0.00 58.87 56.30 3k83 n SER 322 Cb 0.47 -0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 63.98 3k83 n SER 322 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3k83 s ARG 323 N -2.79 3.67 0.31 4.33 0.52 -1.26 -5.02 118.95 118.71 3k83 s ARG 323 Ca 0.30 1.05 -0.29 0.00 -0.52 0.00 0.00 55.73 56.27 3k83 s ARG 323 Cb 0.34 -2.09 -0.13 0.00 0.52 0.00 0.00 34.95 33.60 3k83 s ARG 323 CO -0.07 -0.51 1.33 -2.30 0.02 0.00 0.00 175.30 173.77 3k83 n PRO 324 N -1.82 2.12 -4.45 3.54 -0.02 -1.26 -5.01 135.00 128.10 3k83 n PRO 324 Ca 0.07 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.98 3k83 n PRO 324 Cb 0.54 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.56 3k83 n PRO 324 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3k83 s LEU 325 N -0.66 3.24 -0.39 2.45 1.43 -1.26 -5.00 118.68 118.49 3k83 s LEU 325 Ca 0.59 -0.09 -0.25 0.00 -1.03 0.00 0.00 54.13 53.35 3k83 s LEU 325 Cb -0.59 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 43.82 3k83 s LEU 325 CO 0.58 0.30 0.88 -0.13 0.23 0.00 0.00 176.35 178.21 3k83 s ARG 326 N -1.33 3.74 -0.30 1.70 0.52 -1.26 -1.51 118.95 120.51 3k83 s ARG 326 Ca 0.17 0.40 -0.06 0.00 -0.52 0.00 0.00 55.73 55.72 3k83 s ARG 326 Cb -0.11 -3.83 0.02 0.00 0.52 0.00 0.00 34.95 31.55 3k83 s ARG 326 CO 0.07 -0.98 0.06 0.08 0.02 0.00 0.00 175.30 174.55 3k83 s VAL 327 N 3.42 3.71 0.46 3.52 1.01 0.15 -0.57 120.40 132.10 3k83 s VAL 327 Ca 0.36 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 61.22 3k83 s VAL 327 Cb -0.12 -2.97 -0.08 0.00 0.00 0.00 0.00 36.38 33.21 3k83 s VAL 327 CO 0.20 0.01 1.07 -0.83 0.00 0.00 0.00 175.10 175.55 3k83 s GLY 328 N 1.43 2.63 0.00 4.51 0.00 -0.17 0.34 107.32 116.07 3k83 s GLY 328 Ca 0.01 0.71 -0.22 0.00 0.00 0.00 0.00 44.72 45.21 3k83 s GLY 328 CO 0.01 1.08 0.49 -2.52 0.00 0.00 0.00 173.10 172.17 3k83 s TYR 329 N -1.80 -0.40 0.01 1.90 -0.85 -0.29 0.20 117.35 116.12 3k83 s TYR 329 Ca 0.65 0.57 -0.01 0.00 -0.52 0.00 0.00 57.07 57.75 3k83 s TYR 329 Cb -0.21 0.27 -0.01 0.00 0.38 0.00 0.00 41.96 42.40 3k83 s TYR 329 CO 0.25 -0.55 0.01 1.52 -1.52 0.00 0.00 175.55 175.25 3k83 s TYR 330 N -1.78 0.19 -0.22 -3.49 1.13 -1.16 -1.24 117.35 110.78 3k83 s TYR 330 Ca -0.09 -0.39 0.21 0.00 -1.41 0.00 0.00 57.07 55.39 3k83 s TYR 330 Cb -0.02 -0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.69 3k83 s TYR 330 CO 0.03 -0.19 1.03 0.93 -2.51 0.00 0.00 175.55 174.84 3k83 h GLU 331 N 4.75 0.00 -2.38 -3.49 5.08 -1.92 -3.35 114.58 113.26 3k83 h GLU 331 Ca -0.31 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.97 3k83 h GLU 331 Cb 1.21 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.26 3k83 h GLU 331 CO 0.42 0.05 0.01 -0.08 -1.00 0.00 0.00 179.01 178.41 3k83 s THR 332 N -3.28 0.02 -2.36 1.13 -1.32 -1.26 -4.77 115.64 103.79 3k83 s THR 332 Ca -0.01 -0.15 0.25 0.00 -1.21 0.00 0.00 61.69 60.57 3k83 s THR 332 Cb 0.09 -0.85 0.53 0.00 -1.51 0.00 0.00 72.50 70.76 3k83 s THR 332 CO 0.79 -0.08 1.68 -0.90 -2.21 0.00 0.00 174.62 173.90 3k83 n ASP 333 N 1.34 1.44 -1.16 8.08 3.85 -1.26 -4.91 116.55 123.93 3k83 n ASP 333 Ca -0.19 -1.56 -0.15 0.00 -0.71 0.00 0.00 54.79 52.18 3k83 n ASP 333 Cb 0.57 -0.04 -0.07 0.00 -1.35 0.00 0.00 41.12 40.23 3k83 n ASP 333 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3k83 n ASN 334 N 0.15 -5.16 0.08 -1.12 5.03 -1.26 -4.77 115.26 108.21 3k83 n ASN 334 Ca 0.18 0.38 0.00 0.00 0.87 0.00 0.00 54.58 56.00 3k83 n ASN 334 Cb 0.32 -4.00 0.00 0.00 -1.02 0.00 0.00 39.78 35.08 3k83 n ASN 334 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k83 n TYR 335 N -2.45 -0.84 -3.48 3.10 4.19 -1.26 -4.95 117.16 111.47 3k83 n TYR 335 Ca -0.15 0.15 -0.42 0.00 3.31 0.00 0.00 57.90 60.78 3k83 n TYR 335 Cb 0.55 0.19 -0.10 0.00 0.49 0.00 0.00 39.34 40.48 3k83 n TYR 335 CO 0.00 0.00 0.00 0.99 0.91 0.00 0.00 176.86 178.76 3k83 s THR 336 N -2.00 5.22 0.13 2.97 2.01 -1.26 -4.58 115.64 118.13 3k83 s THR 336 Ca 0.00 -0.60 -0.32 0.00 0.31 0.00 0.00 61.69 61.08 3k83 s THR 336 Cb 0.00 -3.87 -0.12 0.00 0.01 0.00 0.00 72.50 68.52 3k83 s THR 336 CO 0.00 -0.26 1.75 0.80 -0.69 0.00 0.00 174.62 176.22 3k83 n MET 337 N 5.14 2.56 -2.26 4.92 1.56 -1.26 -4.43 117.12 123.35 3k83 n MET 337 Ca -0.11 0.93 -0.36 0.00 -0.27 0.00 0.00 57.70 57.88 3k83 n MET 337 Cb 0.47 -2.77 -0.00 0.00 2.15 0.00 0.00 33.22 33.06 3k83 n MET 337 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3k83 s PRO 338 N 2.00 3.59 0.76 2.12 0.04 -1.26 -4.94 135.00 137.30 3k83 s PRO 338 Ca 0.80 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 63.41 3k83 s PRO 338 Cb -0.56 -2.23 0.06 0.00 0.04 0.00 0.00 34.50 31.80 3k83 s PRO 338 CO 0.38 -0.67 1.18 -1.54 0.04 0.00 0.00 177.00 176.39 3k83 s SER 339 N -1.54 4.06 0.37 6.66 1.04 -1.26 -4.79 113.70 118.24 3k83 s SER 339 Ca 0.67 2.27 0.12 0.00 0.48 0.00 0.00 55.95 59.49 3k83 s SER 339 Cb -0.26 -2.58 0.90 0.00 0.10 0.00 0.00 66.02 64.18 3k83 s SER 339 CO 0.31 -2.35 1.85 -0.65 0.98 0.00 0.00 173.24 173.39 3k83 h PRO 340 N -0.58 0.58 -0.46 4.02 0.11 -1.91 -0.80 132.00 132.96 3k83 h PRO 340 Ca -0.47 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 3k83 h PRO 340 Cb 1.28 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3k83 h PRO 340 CO 0.49 0.38 -0.24 0.00 -0.21 0.00 0.00 178.00 178.42 3k83 h ALA 341 N 1.61 0.65 -0.62 -0.75 0.00 -1.90 -0.39 119.26 117.86 3k83 h ALA 341 Ca 0.47 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3k83 h ALA 341 Cb 0.90 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 3k83 h ALA 341 CO -0.22 0.65 0.40 0.52 0.00 0.00 0.00 179.25 180.61 3k83 h MET 342 N 0.82 0.78 -0.20 0.00 2.86 -1.46 -0.64 114.93 117.09 3k83 h MET 342 Ca 0.10 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 3k83 h MET 342 Cb 0.82 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 3k83 h MET 342 CO 0.07 0.52 -0.15 -0.09 1.06 0.00 0.00 176.91 178.32 3k83 h ARG 343 N 0.80 0.46 -0.35 1.72 2.43 -1.07 -1.63 114.38 116.75 3k83 h ARG 343 Ca 0.24 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3k83 h ARG 343 Cb -0.04 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 3k83 h ARG 343 CO -0.07 0.78 0.18 -0.09 -1.51 0.00 0.00 179.97 179.25 3k83 h ARG 344 N 0.14 0.35 -0.59 0.20 2.43 -1.00 -1.26 114.38 114.66 3k83 h ARG 344 Ca 0.04 -0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 3k83 h ARG 344 Cb 0.67 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.04 3k83 h ARG 344 CO 0.04 0.23 -0.03 0.00 -1.51 0.00 0.00 179.97 178.70 3k83 h ALA 345 N 1.18 0.54 -0.05 2.80 0.00 -0.93 0.47 119.26 123.28 3k83 h ALA 345 Ca 0.14 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 3k83 h ALA 345 Cb 0.05 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3k83 h ALA 345 CO -0.10 -0.40 0.01 1.25 0.00 0.00 0.00 179.25 180.01 3k83 h LEU 346 N 0.09 0.07 -0.80 0.00 7.12 -1.04 -2.57 115.31 118.18 3k83 h LEU 346 Ca 0.30 -0.23 -0.07 0.00 0.13 0.00 0.00 57.88 58.01 3k83 h LEU 346 Cb 0.48 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.56 3k83 h LEU 346 CO -0.52 0.28 0.15 0.40 -0.13 0.00 0.00 178.44 178.62 3k83 h ILE 347 N -0.15 1.26 -0.34 4.05 2.04 -0.76 -0.76 117.51 122.85 3k83 h ILE 347 Ca 0.01 -0.95 -0.09 0.00 1.00 0.00 0.00 64.86 64.83 3k83 h ILE 347 Cb 0.24 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3k83 h ILE 347 CO 0.00 0.36 -0.18 -0.33 0.00 0.00 0.00 178.15 178.00 3k83 h GLU 348 N 1.00 0.62 -0.25 2.37 5.08 -0.93 -0.62 114.58 121.85 3k83 h GLU 348 Ca 0.21 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3k83 h GLU 348 Cb 0.37 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3k83 h GLU 348 CO 0.00 0.76 -0.12 1.15 -1.00 0.00 0.00 179.01 179.80 3k83 h THR 349 N 0.55 1.30 -0.37 1.13 2.02 -1.06 -1.16 112.91 115.33 3k83 h THR 349 Ca 0.09 -1.21 0.06 0.00 0.77 0.00 0.00 66.41 66.13 3k83 h THR 349 Cb 0.62 1.56 -0.06 0.00 -1.74 0.00 0.00 68.15 68.54 3k83 h THR 349 CO 0.04 0.38 0.02 0.50 0.37 0.00 0.00 175.52 176.82 3k83 h LYS 350 N 0.24 0.12 -0.60 6.66 3.64 -1.04 0.12 116.57 125.72 3k83 h LYS 350 Ca 0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3k83 h LYS 350 Cb 0.63 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 3k83 h LYS 350 CO 0.04 0.08 0.38 1.96 -2.27 0.00 0.00 179.45 179.63 3k83 h GLN 351 N 0.12 0.80 -0.14 1.90 4.20 -0.87 -0.28 115.11 120.84 3k83 h GLN 351 Ca 0.18 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.70 3k83 h GLN 351 Cb 0.24 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3k83 h GLN 351 CO -0.29 0.55 -0.49 0.00 -0.67 0.00 0.00 178.83 177.93 3k83 h ARG 352 N 0.81 0.36 -0.29 1.46 3.08 -0.96 0.29 114.38 119.13 3k83 h ARG 352 Ca 0.22 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3k83 h ARG 352 Cb -0.06 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3k83 h ARG 352 CO -0.04 0.77 0.15 -0.07 -1.07 0.00 0.00 179.97 179.70 3k83 h LEU 353 N 0.28 0.36 -0.58 3.04 3.38 -0.72 -0.48 115.31 120.60 3k83 h LEU 353 Ca 0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3k83 h LEU 353 Cb 0.96 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3k83 h LEU 353 CO 0.08 0.36 0.37 -0.33 0.09 0.00 0.00 178.44 179.01 3k83 h GLU 354 N 0.34 0.77 0.00 1.13 5.08 -0.84 -1.63 114.58 119.43 3k83 h GLU 354 Ca 0.10 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3k83 h GLU 354 Cb 0.08 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3k83 h GLU 354 CO -0.01 0.53 -0.01 0.00 -1.00 0.00 0.00 179.01 178.51 3k83 h ALA 355 N 1.20 1.66 -0.24 3.43 0.00 -0.61 -2.34 119.26 122.36 3k83 h ALA 355 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3k83 h ALA 355 Cb -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3k83 h ALA 355 CO -0.04 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.22 3k83 n ALA 356 N -2.39 2.49 0.00 0.00 0.00 -0.22 -4.90 120.51 115.49 3k83 n ALA 356 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3k83 n ALA 356 Cb 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3k83 n ALA 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k83 n GLY 357 N 1.05 0.62 3.88 0.00 0.00 -0.88 -5.04 105.19 104.83 3k83 n GLY 357 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3k83 n GLY 357 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k83 s HIS 358 N -2.00 3.59 -0.25 1.61 3.76 -0.88 -4.76 115.29 116.35 3k83 s HIS 358 Ca 0.00 1.13 -0.09 0.00 -0.15 0.00 0.00 55.06 55.95 3k83 s HIS 358 Cb 0.00 -2.57 -0.04 0.00 1.11 0.00 0.00 32.58 31.08 3k83 s HIS 358 CO 0.00 -0.50 0.13 0.99 -0.85 0.00 0.00 174.74 174.52 3k83 s THR 359 N -2.95 4.95 -0.25 1.30 2.01 -0.57 -4.33 115.64 115.80 3k83 s THR 359 Ca 0.53 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.50 3k83 s THR 359 Cb -0.11 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 3k83 s THR 359 CO 0.48 0.32 0.06 -0.76 -0.69 0.00 0.00 174.62 174.03 3k83 s LEU 360 N 1.40 3.46 -0.19 4.42 2.01 -1.26 0.31 118.68 128.83 3k83 s LEU 360 Ca 0.06 -0.29 0.01 0.00 0.01 0.00 0.00 54.13 53.92 3k83 s LEU 360 Cb -0.15 -1.90 0.02 0.00 0.01 0.00 0.00 46.19 44.17 3k83 s LEU 360 CO 0.06 -0.06 -0.17 -0.63 1.01 0.00 0.00 176.35 176.56 3k83 s ILE 361 N 1.59 2.23 0.27 -0.59 1.01 0.15 -4.97 121.20 120.89 3k83 s ILE 361 Ca 0.06 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.46 3k83 s ILE 361 Cb -0.15 -1.98 -0.11 0.00 0.01 0.00 0.00 42.46 40.22 3k83 s ILE 361 CO 0.03 0.48 1.61 -2.84 0.00 0.00 0.00 174.94 174.21 3k83 s PRO 362 N 1.30 4.13 -0.26 2.79 0.02 -1.26 -1.14 135.00 140.58 3k83 s PRO 362 Ca 0.04 2.56 -0.18 0.00 0.02 0.00 0.00 61.00 63.43 3k83 s PRO 362 Cb -0.14 -3.04 0.07 0.00 0.02 0.00 0.00 34.50 31.41 3k83 s PRO 362 CO -0.11 -0.64 0.65 0.12 -0.33 0.00 0.00 177.00 176.69 3k83 s PHE 363 N 0.26 -0.88 -0.05 6.54 2.19 -0.37 -4.78 117.98 120.90 3k83 s PHE 363 Ca 0.65 1.90 -0.02 0.00 0.33 0.00 0.00 56.93 59.80 3k83 s PHE 363 Cb -0.48 0.43 0.03 0.00 -1.31 0.00 0.00 43.02 41.70 3k83 s PHE 363 CO 0.44 -0.43 0.04 -1.17 1.83 0.00 0.00 175.22 175.93 3k83 s LEU 364 N 1.05 0.38 0.28 6.12 2.96 -1.26 -3.79 118.68 124.43 3k83 s LEU 364 Ca -0.06 0.03 -0.29 0.00 -0.22 0.00 0.00 54.13 53.59 3k83 s LEU 364 Cb -0.05 -0.22 -0.13 0.00 0.50 0.00 0.00 46.19 46.28 3k83 s LEU 364 CO -0.10 -0.22 1.27 -2.65 -1.32 0.00 0.00 176.35 173.33 3k83 n PRO 365 N 5.12 1.88 -1.95 0.98 -0.02 -1.26 -4.90 135.00 134.85 3k83 n PRO 365 Ca -0.07 0.66 -0.34 0.00 -2.02 0.00 0.00 63.50 61.74 3k83 n PRO 365 Cb 0.50 -2.23 0.03 0.00 -0.02 0.00 0.00 33.50 31.78 3k83 n PRO 365 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3k83 s ASN 366 N -0.12 5.34 -1.43 2.55 2.20 -1.26 -4.08 114.94 118.14 3k83 s ASN 366 Ca 0.62 2.07 -0.09 0.00 -0.94 0.00 0.00 52.86 54.52 3k83 s ASN 366 Cb -0.64 -2.56 0.05 0.00 -2.00 0.00 0.00 41.25 36.09 3k83 s ASN 366 CO 0.57 -1.47 0.96 0.59 -2.94 0.00 0.00 177.10 174.80 3k83 n ASN 367 N -1.98 -4.12 -0.23 3.54 3.02 -1.26 -4.91 115.26 109.33 3k83 n ASN 367 Ca 0.11 -0.74 0.02 0.00 -0.03 0.00 0.00 54.58 53.94 3k83 n ASN 367 Cb 0.52 -4.20 0.14 0.00 -0.61 0.00 0.00 39.78 35.62 3k83 n ASN 367 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3k83 h ILE 368 N -2.15 0.74 -0.88 2.41 2.04 -1.94 -1.70 117.51 116.03 3k83 h ILE 368 Ca -0.59 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3k83 h ILE 368 Cb 1.37 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 3k83 h ILE 368 CO 0.62 0.08 0.57 -0.65 0.00 0.00 0.00 178.15 178.77 3k83 h PRO 369 N 0.44 1.18 -0.02 2.37 0.11 -1.93 -0.80 132.00 133.35 3k83 h PRO 369 Ca 0.35 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 66.38 3k83 h PRO 369 Cb 0.45 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 3k83 h PRO 369 CO -0.33 0.80 -0.02 -0.92 -0.21 0.00 0.00 178.00 177.31 3k83 h TYR 370 N 1.21 -0.05 -0.97 0.65 3.20 -1.89 0.67 116.97 119.79 3k83 h TYR 370 Ca 0.32 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.34 3k83 h TYR 370 Cb -0.11 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.10 3k83 h TYR 370 CO 0.00 -0.03 0.61 0.00 -1.64 0.00 0.00 178.16 177.10 3k83 h ALA 371 N 0.99 1.65 0.00 1.82 0.00 -0.30 -0.69 119.26 122.72 3k83 h ALA 371 Ca 0.01 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3k83 h ALA 371 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3k83 h ALA 371 CO -0.03 0.08 -0.56 -0.07 0.00 0.00 0.00 179.25 178.67 3k83 h LEU 372 N 0.86 0.00 0.13 0.00 3.38 -1.08 0.18 115.31 118.78 3k83 h LEU 372 Ca 0.50 -0.78 -0.24 0.00 0.09 0.00 0.00 57.88 57.45 3k83 h LEU 372 Cb 0.64 -0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.42 3k83 h LEU 372 CO -0.27 1.22 -1.01 -0.33 0.09 0.00 0.00 178.44 178.14 3k83 h GLU 373 N -1.00 0.45 0.00 1.13 5.08 -0.85 -2.01 114.58 117.38 3k83 h GLU 373 Ca -0.15 -0.66 -0.23 0.00 -1.00 0.00 0.00 59.36 57.32 3k83 h GLU 373 Cb 1.14 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 30.58 3k83 h GLU 373 CO -0.09 1.29 -1.62 0.28 -1.00 0.00 0.00 179.01 177.87 3k83 n VAL 374 N -3.98 1.51 -0.04 3.13 0.31 -0.35 -3.87 118.33 115.04 3k83 n VAL 374 Ca -0.14 -0.09 -0.12 0.00 -0.01 0.00 0.00 64.34 63.98 3k83 n VAL 374 Cb 0.89 -2.12 -0.11 0.00 -0.91 0.00 0.00 33.84 31.60 3k83 n VAL 374 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3k83 h LEU 375 N -1.00 -0.03 0.52 7.52 3.38 -1.38 -1.81 115.31 122.51 3k83 h LEU 375 Ca -0.34 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 56.88 3k83 h LEU 375 Cb 1.24 0.01 0.01 0.00 0.09 0.00 0.00 40.66 42.00 3k83 h LEU 375 CO -0.21 0.76 -0.25 0.28 0.09 0.00 0.00 178.44 179.11 3k83 h SER 376 N -0.87 -0.60 -0.54 -0.43 0.02 -0.73 0.10 113.55 110.51 3k83 h SER 376 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3k83 h SER 376 Cb 0.74 0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.41 3k83 h SER 376 CO 0.01 -0.24 0.35 0.74 -1.14 0.00 0.00 176.83 176.54 3k83 h THR 377 N -1.07 1.14 -0.58 -2.27 2.02 -1.52 0.69 112.91 111.32 3k83 h THR 377 Ca -0.07 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 66.87 3k83 h THR 377 Cb 0.54 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 3k83 h THR 377 CO 0.12 0.14 0.35 1.23 0.37 0.00 0.00 175.52 177.73 3k83 h GLY 378 N 0.73 0.83 0.97 2.16 0.00 -1.40 -0.87 103.07 105.48 3k83 h GLY 378 Ca 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 3k83 h GLY 378 CO -0.04 0.23 0.22 -1.33 0.00 0.00 0.00 176.54 175.61 3k83 h GLY 379 N 0.70 0.80 1.95 4.60 0.00 -0.04 0.43 103.07 111.51 3k83 h GLY 379 Ca 0.23 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 3k83 h GLY 379 CO -0.10 0.40 -0.47 1.41 0.00 0.00 0.00 176.54 177.79 3k83 h LEU 380 N 0.68 0.06 -3.67 3.11 3.38 -0.63 -3.29 115.31 114.95 3k83 h LEU 380 Ca 0.17 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.87 3k83 h LEU 380 Cb 0.17 -0.02 -0.28 0.00 0.09 0.00 0.00 40.66 40.62 3k83 h LEU 380 CO -0.02 0.52 -0.82 0.49 0.09 0.00 0.00 178.44 178.71 3k83 n PHE 381 N -3.98 1.06 -0.16 1.13 3.72 -0.36 -4.83 117.46 114.03 3k83 n PHE 381 Ca -0.02 -1.64 0.21 0.00 -0.05 0.00 0.00 57.45 55.96 3k83 n PHE 381 Cb 0.50 -0.25 0.60 0.00 -0.94 0.00 0.00 39.48 39.39 3k83 n PHE 381 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3k83 h SER 382 N 1.65 0.21 -0.48 4.37 0.02 -0.98 0.28 113.55 118.63 3k83 h SER 382 Ca 0.04 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3k83 h SER 382 Cb 1.39 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.91 3k83 h SER 382 CO 0.28 0.09 0.00 -0.90 -1.14 0.00 0.00 176.83 175.16 3k83 n ASP 383 N -4.41 4.31 0.00 3.07 5.75 -1.26 -2.35 116.55 121.66 3k83 n ASP 383 Ca 0.16 -2.55 0.00 0.00 -0.01 0.00 0.00 54.79 52.39 3k83 n ASP 383 Cb 0.73 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 3k83 n ASP 383 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k83 n GLY 384 N 0.71 0.77 0.76 6.12 0.00 0.99 -3.02 105.19 111.51 3k83 n GLY 384 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3k83 n GLY 384 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k83 n GLY 385 N -2.02 0.75 0.30 -0.02 0.00 -1.26 -4.75 105.19 98.19 3k83 n GLY 385 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3k83 n GLY 385 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3k83 h ARG 386 N 3.74 0.88 -0.22 1.61 2.47 -1.87 0.12 114.38 121.11 3k83 h ARG 386 Ca 0.00 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.62 3k83 h ARG 386 Cb 0.00 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.11 3k83 h ARG 386 CO 0.00 0.58 -0.04 0.77 0.56 0.00 0.00 179.97 181.85 3k83 h SER 387 N 0.91 0.41 -0.59 7.04 0.02 -1.94 -2.58 113.55 116.81 3k83 h SER 387 Ca 0.33 -0.35 0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3k83 h SER 387 Cb 0.11 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 3k83 h SER 387 CO -0.15 0.66 0.29 0.15 -1.14 0.00 0.00 176.83 176.64 3k83 h PHE 388 N 0.14 0.52 0.00 3.45 3.57 -1.78 -2.80 116.94 120.05 3k83 h PHE 388 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3k83 h PHE 388 Cb 0.47 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 3k83 h PHE 388 CO 0.05 0.22 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.23 3k83 h LEU 389 N 0.53 0.00 -1.52 0.59 3.38 -0.51 -2.40 115.31 115.38 3k83 h LEU 389 Ca 0.28 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.32 3k83 h LEU 389 Cb 0.23 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 3k83 h LEU 389 CO -0.21 0.05 0.41 1.56 0.09 0.00 0.00 178.44 180.34 3k83 h GLN 390 N 0.00 0.56 0.00 1.13 1.08 -1.18 -1.00 115.11 115.69 3k83 h GLN 390 Ca -0.00 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3k83 h GLN 390 Cb 0.37 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3k83 h GLN 390 CO 0.01 0.37 -0.02 -0.91 -0.95 0.00 0.00 178.83 177.32 3k83 h ASN 391 N 0.57 0.00 -0.02 1.46 2.35 -1.57 -3.13 115.58 115.24 3k83 h ASN 391 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3k83 h ASN 391 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3k83 h ASN 391 CO -0.08 0.02 -0.18 0.49 -1.65 0.00 0.00 177.43 176.02 3k83 n PHE 392 N -3.90 0.00 -1.87 1.19 3.72 -0.39 -4.72 117.46 111.49 3k83 n PHE 392 Ca -0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 3k83 n PHE 392 Cb 0.11 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 3k83 n PHE 392 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3k83 s LYS 393 N -2.03 4.18 0.00 -1.08 1.02 -1.19 -1.22 119.74 119.42 3k83 s LYS 393 Ca 0.22 2.42 0.00 0.00 0.02 0.00 0.00 55.97 58.63 3k83 s LYS 393 Cb 0.18 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 3k83 s LYS 393 CO 0.38 -0.72 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 3k83 n GLY 394 N 3.96 0.21 3.78 -3.33 0.00 -1.26 -4.97 105.19 103.58 3k83 n GLY 394 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 3k83 n GLY 394 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k83 s ASP 395 N -2.01 5.42 0.69 1.61 -1.08 -0.36 -4.48 116.67 116.46 3k83 s ASP 395 Ca 0.00 -0.18 -0.16 0.00 -0.52 0.00 0.00 52.55 51.69 3k83 s ASP 395 Cb 0.00 -1.38 0.02 0.00 -1.46 0.00 0.00 42.92 40.10 3k83 s ASP 395 CO 0.00 0.06 1.19 -0.36 0.52 0.00 0.00 175.17 176.59 3k83 s PHE 396 N -1.79 2.20 -0.29 -5.34 0.40 -1.26 -5.03 117.98 106.87 3k83 s PHE 396 Ca 0.31 1.57 -0.05 0.00 -0.60 0.00 0.00 56.93 58.16 3k83 s PHE 396 Cb -0.10 -3.43 0.02 0.00 0.51 0.00 0.00 43.02 40.02 3k83 s PHE 396 CO 0.23 -2.41 0.03 0.08 0.70 0.00 0.00 175.22 173.86 3k83 s VAL 397 N -1.95 3.56 0.30 -0.44 1.01 -1.26 -4.95 120.40 116.67 3k83 s VAL 397 Ca 0.74 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 61.54 3k83 s VAL 397 Cb -0.28 -2.86 -0.12 0.00 0.00 0.00 0.00 36.38 33.12 3k83 s VAL 397 CO 0.42 0.08 1.54 -0.67 0.00 0.00 0.00 175.10 176.47 3k83 n ASP 398 N 4.79 3.63 0.24 3.32 -0.08 -1.26 -4.85 116.55 122.33 3k83 n ASP 398 Ca -0.15 1.16 0.18 0.00 -1.51 0.00 0.00 54.79 54.47 3k83 n ASP 398 Cb 0.47 -1.57 0.85 0.00 2.34 0.00 0.00 41.12 43.21 3k83 n ASP 398 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3k83 h PRO 399 N 4.37 0.00 0.00 -0.67 0.11 -1.94 -0.73 132.00 133.14 3k83 h PRO 399 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3k83 h PRO 399 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3k83 h PRO 399 CO 0.76 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.55 3k83 n LEU 401 N -1.49 0.68 0.00 0.00 4.77 -0.28 -3.79 117.00 116.89 3k83 n LEU 401 Ca 0.04 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3k83 n LEU 401 Cb 0.19 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3k83 n LEU 401 CO 0.15 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3k83 n GLY 402 N 1.34 3.01 1.33 -0.72 0.00 -0.60 -2.36 105.19 107.19 3k83 n GLY 402 Ca 0.12 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.91 3k83 n GLY 402 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k83 n ASP 403 N 1.55 3.89 -0.18 1.61 8.00 -1.26 -4.60 116.55 125.57 3k83 n ASP 403 Ca 0.00 -2.43 -0.06 0.00 0.71 0.00 0.00 54.79 53.01 3k83 n ASP 403 Cb 0.00 -0.54 0.03 0.00 -0.02 0.00 0.00 41.12 40.59 3k83 n ASP 403 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3k83 h LEU 404 N 3.01 0.56 -0.14 0.64 5.85 -1.79 0.19 115.31 123.63 3k83 h LEU 404 Ca 0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3k83 h LEU 404 Cb 1.27 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3k83 h LEU 404 CO 0.23 0.40 -0.05 0.40 -0.34 0.00 0.00 178.44 179.08 3k83 h ILE 405 N 0.68 1.30 -0.64 4.05 1.08 -1.82 -0.58 117.51 121.57 3k83 h ILE 405 Ca 0.20 -1.04 0.05 0.00 -0.39 0.00 0.00 64.86 63.67 3k83 h ILE 405 Cb -0.04 1.71 -0.05 0.00 -3.07 0.00 0.00 36.82 35.37 3k83 h ILE 405 CO -0.06 0.30 0.37 0.25 -0.69 0.00 0.00 178.15 178.32 3k83 h LEU 406 N -0.05 0.58 -0.11 1.44 6.46 -1.83 -1.54 115.31 120.27 3k83 h LEU 406 Ca 0.03 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 3k83 h LEU 406 Cb 0.49 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.32 3k83 h LEU 406 CO 0.02 0.39 0.03 0.40 -0.62 0.00 0.00 178.44 178.65 3k83 h ILE 407 N 0.71 1.19 -0.18 4.05 2.04 -0.48 -2.90 117.51 121.94 3k83 h ILE 407 Ca 0.28 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.60 3k83 h ILE 407 Cb 0.11 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3k83 h ILE 407 CO -0.15 0.17 0.15 -0.07 0.00 0.00 0.00 178.15 178.26 3k83 h LEU 408 N -0.03 0.00 -0.17 1.44 3.38 -0.89 -1.75 115.31 117.29 3k83 h LEU 408 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3k83 h LEU 408 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3k83 h LEU 408 CO 0.00 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.56 3k83 h ARG 409 N 0.00 0.00 -6.98 1.13 3.08 -1.07 -3.45 114.38 107.08 3k83 h ARG 409 Ca 0.09 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.60 3k83 h ARG 409 Cb 0.39 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.55 3k83 h ARG 409 CO -0.00 0.00 0.69 -0.51 -1.07 0.00 0.00 179.97 179.08 3k83 s LEU 410 N -5.11 4.13 0.65 3.04 1.43 -0.66 -4.96 118.68 117.21 3k83 s LEU 410 Ca 0.08 2.88 -0.18 0.00 -1.03 0.00 0.00 54.13 55.89 3k83 s LEU 410 Cb 0.10 -3.93 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 3k83 s LEU 410 CO 0.59 -1.13 1.30 -2.84 0.23 0.00 0.00 176.35 174.50 3k83 s PRO 411 N -2.42 2.53 0.26 1.29 0.02 -1.26 -4.76 135.00 130.66 3k83 s PRO 411 Ca 0.60 2.07 -0.02 0.00 0.02 0.00 0.00 61.00 63.68 3k83 s PRO 411 Cb -0.43 -1.84 0.45 0.00 0.02 0.00 0.00 34.50 32.70 3k83 s PRO 411 CO 0.55 -1.62 1.83 1.03 -0.33 0.00 0.00 177.00 178.47 3k83 h SER 412 N 0.53 0.82 0.16 2.53 0.87 -1.95 -0.82 113.55 115.69 3k83 h SER 412 Ca -0.51 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.03 3k83 h SER 412 Cb 1.34 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 3k83 h SER 412 CO 0.53 0.47 -0.22 4.11 -0.53 0.00 0.00 176.83 181.19 3k83 h TRP 413 N 0.92 0.13 0.23 2.24 5.08 -1.99 -0.49 115.95 122.07 3k83 h TRP 413 Ca 0.44 -0.02 -0.31 0.00 1.08 0.00 0.00 58.89 60.08 3k83 h TRP 413 Cb 0.37 -0.04 0.04 0.00 -3.00 0.00 0.00 29.16 26.53 3k83 h TRP 413 CO -0.03 0.34 -1.36 0.35 -1.28 0.00 0.00 178.44 176.47 3k83 h PHE 414 N 0.12 0.93 -0.90 0.12 3.57 -1.56 -0.54 116.94 118.68 3k83 h PHE 414 Ca 0.02 -0.67 0.10 0.00 3.53 0.00 0.00 57.97 60.95 3k83 h PHE 414 Cb 0.46 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.09 3k83 h PHE 414 CO 0.00 1.52 0.58 0.87 -2.23 0.00 0.00 178.31 179.05 3k83 h LYS 415 N 0.09 0.87 0.18 1.11 1.57 -0.79 -0.18 116.57 119.40 3k83 h LYS 415 Ca -0.23 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3k83 h LYS 415 Cb 2.07 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 34.18 3k83 h LYS 415 CO 0.26 0.57 -0.08 -0.09 -0.57 0.00 0.00 179.45 179.53 3k83 h ARG 416 N 0.89 -0.23 0.06 3.15 2.43 -0.87 -1.07 114.38 118.73 3k83 h ARG 416 Ca 0.41 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.61 3k83 h ARG 416 Cb 0.40 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3k83 h ARG 416 CO -0.18 0.09 -0.10 1.25 -1.51 0.00 0.00 179.97 179.52 3k83 h LEU 417 N -0.57 -0.28 -0.87 3.80 5.85 -0.88 -1.42 115.31 120.95 3k83 h LEU 417 Ca -0.02 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3k83 h LEU 417 Cb 0.43 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 3k83 h LEU 417 CO 0.04 -0.15 0.55 0.25 -0.34 0.00 0.00 178.44 178.78 3k83 h LEU 418 N -0.20 0.87 -0.75 2.25 5.85 -1.08 -0.89 115.31 121.36 3k83 h LEU 418 Ca 0.02 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3k83 h LEU 418 Cb 0.22 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3k83 h LEU 418 CO -0.06 0.57 0.46 -1.28 -0.34 0.00 0.00 178.44 177.78 3k83 h SER 419 N 1.01 0.73 -0.46 1.25 0.87 -0.83 0.03 113.55 116.15 3k83 h SER 419 Ca 0.37 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.92 3k83 h SER 419 Cb 0.14 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 3k83 h SER 419 CO -0.16 0.49 0.21 -0.07 -0.53 0.00 0.00 176.83 176.77 3k83 h LEU 420 N 0.87 0.61 -1.13 2.23 4.07 -0.11 -0.06 115.31 121.78 3k83 h LEU 420 Ca 0.31 -0.14 -0.03 0.00 0.08 0.00 0.00 57.88 58.10 3k83 h LEU 420 Cb 0.09 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 3k83 h LEU 420 CO -0.14 0.58 0.24 -0.07 -1.08 0.00 0.00 178.44 177.97 3k83 h LEU 421 N 0.59 0.77 -0.04 1.67 4.07 -0.82 -3.13 115.31 118.43 3k83 h LEU 421 Ca 0.16 -0.10 -0.15 0.00 0.08 0.00 0.00 57.88 57.87 3k83 h LEU 421 Cb 0.14 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 3k83 h LEU 421 CO -0.02 0.69 -0.72 -0.07 -1.08 0.00 0.00 178.44 177.24 3k83 h LEU 422 N 0.84 0.00 -0.83 1.67 3.38 -0.61 -3.38 115.31 116.38 3k83 h LEU 422 Ca 0.20 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.38 3k83 h LEU 422 Cb 0.16 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.77 3k83 h LEU 422 CO -0.02 0.72 0.18 0.50 0.09 0.00 0.00 178.44 179.91 3k83 h LYS 423 N 0.00 0.20 -0.25 1.13 3.64 -0.96 0.20 116.57 120.54 3k83 h LYS 423 Ca -0.01 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3k83 h LYS 423 Cb 1.54 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.30 3k83 h LYS 423 CO 0.09 0.14 0.07 -1.35 -2.27 0.00 0.00 179.45 176.13 3k83 h PRO 424 N 0.21 0.40 0.00 1.90 0.11 -1.77 -3.18 132.00 129.67 3k83 h PRO 424 Ca 0.50 -0.09 -0.12 0.00 0.11 0.00 0.00 66.00 66.40 3k83 h PRO 424 Cb 0.95 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 3k83 h PRO 424 CO -0.62 0.48 -0.64 -0.07 -0.21 0.00 0.00 178.00 176.94 3k83 h LEU 425 N 0.24 0.01 -6.56 2.35 4.07 -1.72 -3.44 115.31 110.27 3k83 h LEU 425 Ca 0.08 -0.76 -0.60 0.00 0.08 0.00 0.00 57.88 56.68 3k83 h LEU 425 Cb 0.26 -0.00 -0.41 0.00 1.08 0.00 0.00 40.66 41.58 3k83 h LEU 425 CO -0.00 1.25 -0.71 0.49 -1.08 0.00 0.00 178.44 178.40 3k83 n PHE 426 N -4.51 2.28 -0.06 1.13 3.72 0.67 -4.97 117.46 115.73 3k83 n PHE 426 Ca -0.21 -4.02 0.07 0.00 -0.05 0.00 0.00 57.45 53.25 3k83 n PHE 426 Cb 0.59 -0.43 0.44 0.00 -0.94 0.00 0.00 39.48 39.14 3k83 n PHE 426 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3k83 h PRO 427 N 4.88 0.53 -0.13 -1.08 0.13 -1.68 -2.01 132.00 132.63 3k83 h PRO 427 Ca 0.18 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 3k83 h PRO 427 Cb 0.76 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 3k83 h PRO 427 CO 0.67 0.35 0.05 -0.09 -0.23 0.00 0.00 178.00 178.75 3k83 h ARG 428 N 0.54 0.20 -0.61 0.86 2.43 -1.92 0.69 114.38 116.57 3k83 h ARG 428 Ca 0.23 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 3k83 h ARG 428 Cb 0.21 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3k83 h ARG 428 CO -0.06 0.29 0.33 -0.07 -1.51 0.00 0.00 179.97 178.95 3k83 h LEU 429 N 0.06 0.76 -0.68 3.80 3.38 -1.79 -1.78 115.31 119.06 3k83 h LEU 429 Ca 0.04 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3k83 h LEU 429 Cb 0.17 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3k83 h LEU 429 CO -0.00 0.64 0.33 0.00 0.09 0.00 0.00 178.44 179.51 3k83 h ALA 430 N 1.15 0.87 -0.40 1.53 0.00 -1.22 -1.71 119.26 119.48 3k83 h ALA 430 Ca 0.21 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3k83 h ALA 430 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3k83 h ALA 430 CO -0.03 0.43 -0.33 0.00 0.00 0.00 0.00 179.25 179.31 3k83 h ALA 431 N 1.16 0.66 -0.26 0.00 0.00 -0.45 -1.48 119.26 118.88 3k83 h ALA 431 Ca 0.23 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3k83 h ALA 431 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3k83 h ALA 431 CO -0.03 0.67 0.04 0.74 0.00 0.00 0.00 179.25 180.67 3k83 h PHE 432 N 0.76 0.46 -0.35 0.00 0.04 -1.19 -2.88 116.94 113.78 3k83 h PHE 432 Ca 0.07 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 60.80 3k83 h PHE 432 Cb 0.91 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.91 3k83 h PHE 432 CO 0.06 0.55 0.18 1.25 -0.60 0.00 0.00 178.31 179.75 3k83 h LEU 433 N 0.24 0.28 -1.81 1.54 5.85 -1.17 -1.79 115.31 118.44 3k83 h LEU 433 Ca 0.08 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3k83 h LEU 433 Cb 0.34 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3k83 h LEU 433 CO 0.01 0.20 -0.11 -1.13 -0.34 0.00 0.00 178.44 177.07 3k83 h ASN 434 N 0.38 0.00 -0.09 1.25 -1.24 -1.27 -2.58 115.58 112.03 3k83 h ASN 434 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.15 3k83 h ASN 434 Cb 0.04 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.09 3k83 h ASN 434 CO -0.09 0.11 0.00 0.59 -1.29 0.00 0.00 177.43 176.75 3k83 n ASN 435 N -4.31 1.61 -1.54 1.15 3.02 -0.71 -3.35 115.26 111.12 3k83 n ASN 435 Ca -0.03 -1.60 0.08 0.00 -0.03 0.00 0.00 54.58 53.00 3k83 n ASN 435 Cb 0.19 -0.05 0.35 0.00 -0.61 0.00 0.00 39.78 39.66 3k83 n ASN 435 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3k83 n MET 436 N 0.27 4.05 -3.18 3.52 2.81 -0.97 -3.68 117.12 119.93 3k83 n MET 436 Ca 0.18 -2.96 -0.31 0.00 -1.81 0.00 0.00 57.70 52.80 3k83 n MET 436 Cb 0.35 -2.02 -0.04 0.00 -0.71 0.00 0.00 33.22 30.80 3k83 n MET 436 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3k83 s ARG 437 N -2.38 3.78 0.76 0.03 0.52 -1.21 -4.01 118.95 116.43 3k83 s ARG 437 Ca 0.50 0.32 -0.11 0.00 -0.52 0.00 0.00 55.73 55.92 3k83 s ARG 437 Cb 0.36 -2.53 0.05 0.00 0.52 0.00 0.00 34.95 33.34 3k83 s ARG 437 CO 0.18 0.16 1.08 -1.25 0.02 0.00 0.00 175.30 175.48 3k83 s PRO 438 N -3.35 2.38 0.27 3.54 0.04 -1.26 -3.48 135.00 133.14 3k83 s PRO 438 Ca 0.49 1.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.40 3k83 s PRO 438 Cb -0.11 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.52 3k83 s PRO 438 CO 0.26 -1.52 0.61 -0.98 0.04 0.00 0.00 177.00 175.41 3k83 s ARG 439 N -4.97 1.71 0.84 4.56 1.70 -0.99 -4.82 118.95 116.98 3k83 s ARG 439 Ca 0.60 -1.15 -0.12 0.00 -0.47 0.00 0.00 55.73 54.60 3k83 s ARG 439 Cb -0.16 0.55 0.10 0.00 -0.57 0.00 0.00 34.95 34.86 3k83 s ARG 439 CO 0.56 -0.76 1.12 -1.54 -1.08 0.00 0.00 175.30 173.60 3k83 s SER 440 N -2.98 4.13 0.25 -2.89 1.04 -1.26 -4.85 113.70 107.13 3k83 s SER 440 Ca 0.17 1.09 -0.06 0.00 0.48 0.00 0.00 55.95 57.63 3k83 s SER 440 Cb -0.04 -1.73 0.26 0.00 0.10 0.00 0.00 66.02 64.61 3k83 s SER 440 CO 0.08 -2.17 1.88 0.00 0.98 0.00 0.00 173.24 174.01 3k83 h ALA 441 N -1.23 1.22 -0.78 5.32 0.00 -1.99 -2.25 119.26 119.55 3k83 h ALA 441 Ca -0.48 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.40 3k83 h ALA 441 Cb 1.30 -0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 3k83 h ALA 441 CO 0.61 0.65 0.43 1.49 0.00 0.00 0.00 179.25 182.43 3k83 h GLU 442 N 1.25 0.71 -0.00 0.00 4.81 -2.00 -1.02 114.58 118.33 3k83 h GLU 442 Ca 0.32 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.35 3k83 h GLU 442 Cb -0.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3k83 h GLU 442 CO -0.06 0.47 -0.76 0.87 -0.73 0.00 0.00 179.01 178.80 3k83 h LYS 443 N 0.73 0.03 -0.36 1.92 1.57 -1.88 -2.71 116.57 115.88 3k83 h LYS 443 Ca 0.37 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3k83 h LYS 443 Cb 0.34 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3k83 h LYS 443 CO -0.24 0.78 0.21 1.25 -0.57 0.00 0.00 179.45 180.87 3k83 h LEU 444 N 0.02 0.44 -0.53 2.94 5.85 -0.76 -0.07 115.31 123.20 3k83 h LEU 444 Ca -0.01 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.71 3k83 h LEU 444 Cb 1.35 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 3k83 h LEU 444 CO 0.10 0.39 0.18 -0.50 -0.34 0.00 0.00 178.44 178.27 3k83 h TRP 445 N 0.46 0.31 -0.53 1.25 4.06 -1.12 0.19 115.95 120.57 3k83 h TRP 445 Ca 0.13 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.11 3k83 h TRP 445 Cb 0.04 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 3k83 h TRP 445 CO -0.03 0.08 0.34 -0.22 -3.56 0.00 0.00 178.44 175.05 3k83 h LYS 446 N 0.35 0.72 -0.47 0.49 1.63 -1.27 -0.57 116.57 117.44 3k83 h LYS 446 Ca 0.26 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.99 3k83 h LYS 446 Cb 0.31 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.76 3k83 h LYS 446 CO -0.28 0.50 0.22 1.25 -3.45 0.00 0.00 179.45 177.69 3k83 h LEU 447 N 0.72 0.62 -0.87 5.20 5.85 -0.24 -1.83 115.31 124.77 3k83 h LEU 447 Ca 0.19 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3k83 h LEU 447 Cb -0.05 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3k83 h LEU 447 CO -0.04 0.58 0.58 -0.61 -0.34 0.00 0.00 178.44 178.61 3k83 h GLN 448 N 0.62 1.14 -0.73 1.25 5.75 -0.07 -0.47 115.11 122.60 3k83 h GLN 448 Ca 0.16 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.54 3k83 h GLN 448 Cb 0.13 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.39 3k83 h GLN 448 CO -0.02 0.76 0.23 1.25 -2.65 0.00 0.00 178.83 178.40 3k83 h HIS 449 N 1.18 1.17 -0.80 3.99 2.76 -0.93 -1.19 115.15 121.33 3k83 h HIS 449 Ca 0.32 -0.12 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 3k83 h HIS 449 Cb -0.12 -0.34 -0.04 0.00 1.55 0.00 0.00 27.41 28.46 3k83 h HIS 449 CO -0.01 0.93 0.34 0.93 -1.30 0.00 0.00 177.93 178.82 3k83 h GLU 450 N 1.08 1.18 -0.42 5.26 5.08 -0.68 0.60 114.58 126.68 3k83 h GLU 450 Ca 0.24 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3k83 h GLU 450 Cb 0.30 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3k83 h GLU 450 CO -0.01 0.94 0.23 0.82 -1.00 0.00 0.00 179.01 180.00 3k83 h ILE 451 N 1.15 1.16 -0.26 3.13 2.04 -0.68 0.13 117.51 124.19 3k83 h ILE 451 Ca 0.27 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3k83 h ILE 451 Cb 0.19 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3k83 h ILE 451 CO -0.03 0.16 0.16 -0.08 0.00 0.00 0.00 178.15 178.37 3k83 h GLU 452 N 0.55 0.34 -0.32 2.37 4.81 -0.90 -1.57 114.58 119.86 3k83 h GLU 452 Ca 0.15 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 3k83 h GLU 452 Cb 0.06 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3k83 h GLU 452 CO -0.02 0.24 -0.21 0.52 -0.73 0.00 0.00 179.01 178.81 3k83 h MET 453 N 0.34 0.60 -0.70 1.92 2.86 -0.66 -2.66 114.93 116.63 3k83 h MET 453 Ca 0.09 -0.22 -0.05 0.00 -2.06 0.00 0.00 59.70 57.47 3k83 h MET 453 Cb -0.02 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3k83 h MET 453 CO -0.02 0.77 0.25 -0.92 1.06 0.00 0.00 176.91 178.05 3k83 h TYR 454 N 0.53 1.07 -0.74 -0.22 5.03 -0.45 0.11 116.97 122.30 3k83 h TYR 454 Ca 0.08 -0.09 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 3k83 h TYR 454 Cb 0.65 -0.32 -0.03 0.00 1.55 0.00 0.00 36.73 38.58 3k83 h TYR 454 CO 0.03 0.83 0.29 -0.09 -1.32 0.00 0.00 178.16 177.90 3k83 h ARG 455 N 1.02 1.10 -0.20 1.82 2.43 -1.09 -1.09 114.38 118.37 3k83 h ARG 455 Ca 0.23 -0.20 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 3k83 h ARG 455 Cb 0.24 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3k83 h ARG 455 CO -0.01 0.90 -0.50 1.96 -1.51 0.00 0.00 179.97 180.81 3k83 h GLN 456 N 1.06 0.55 -0.13 0.20 1.08 -1.09 -0.95 115.11 115.83 3k83 h GLN 456 Ca 0.25 -0.32 0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3k83 h GLN 456 Cb 0.21 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 3k83 h GLN 456 CO -0.02 0.92 0.06 1.03 -0.95 0.00 0.00 178.83 179.87 3k83 h SER 457 N 0.44 0.09 -0.09 1.46 0.87 -0.37 0.50 113.55 116.46 3k83 h SER 457 Ca 0.02 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.40 3k83 h SER 457 Cb 1.02 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.97 3k83 h SER 457 CO 0.09 0.07 -0.60 0.58 -0.53 0.00 0.00 176.83 176.45 3k83 h VAL 458 N 0.13 1.30 -0.85 2.23 2.07 -1.13 -1.11 116.25 118.90 3k83 h VAL 458 Ca 0.05 -1.83 0.05 0.00 0.82 0.00 0.00 66.70 65.79 3k83 h VAL 458 Cb 0.01 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.50 3k83 h VAL 458 CO -0.04 0.58 0.53 0.40 0.02 0.00 0.00 177.57 179.06 3k83 h ILE 459 N 0.52 1.08 -0.41 4.57 2.04 -1.04 -0.41 117.51 123.86 3k83 h ILE 459 Ca -0.00 -0.34 -0.14 0.00 1.00 0.00 0.00 64.86 65.38 3k83 h ILE 459 Cb 1.18 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3k83 h ILE 459 CO 0.12 0.18 -0.30 0.00 0.00 0.00 0.00 178.15 178.15 3k83 h ALA 460 N 1.38 0.69 -0.63 1.87 0.00 -0.51 -0.71 119.26 121.35 3k83 h ALA 460 Ca 0.36 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3k83 h ALA 460 Cb 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3k83 h ALA 460 CO -0.15 0.67 0.27 0.37 0.00 0.00 0.00 179.25 180.41 3k83 h GLN 461 N 0.76 0.93 -0.07 0.00 4.15 -0.72 -0.01 115.11 120.15 3k83 h GLN 461 Ca 0.08 -0.16 -0.00 0.00 0.77 0.00 0.00 58.65 59.34 3k83 h GLN 461 Cb 0.87 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 3k83 h GLN 461 CO 0.08 0.77 0.03 2.35 -1.93 0.00 0.00 178.83 180.14 3k83 h TRP 462 N 0.87 0.10 0.00 3.99 2.91 -0.90 -2.69 115.95 120.23 3k83 h TRP 462 Ca 0.21 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.17 3k83 h TRP 462 Cb 0.18 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.79 3k83 h TRP 462 CO 0.01 0.18 -0.26 0.87 -1.03 0.00 0.00 178.44 178.21 3k83 h LYS 463 N -0.01 0.00 0.00 2.65 1.57 -0.81 -2.16 116.57 117.81 3k83 h LYS 463 Ca 0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3k83 h LYS 463 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3k83 h LYS 463 CO -0.00 0.26 -0.17 0.00 -0.57 0.00 0.00 179.45 178.97 3k83 h ALA 464 N 1.74 1.10 -0.18 3.86 0.00 -0.67 0.42 119.26 125.54 3k83 h ALA 464 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3k83 h ALA 464 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3k83 h ALA 464 CO 0.03 0.21 0.00 -1.33 0.00 0.00 0.00 179.25 178.17 3k83 n MET 465 N -3.44 2.27 -3.87 0.00 2.81 -0.96 -4.97 117.12 108.96 3k83 n MET 465 Ca -0.01 -1.88 -0.28 0.00 -1.81 0.00 0.00 57.70 53.72 3k83 n MET 465 Cb 0.35 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.41 3k83 n MET 465 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3k83 n ASN 466 N 1.18 -3.59 -4.79 7.83 3.02 0.14 -4.94 115.26 114.12 3k83 n ASN 466 Ca 0.17 -0.81 -0.34 0.00 -0.03 0.00 0.00 54.58 53.57 3k83 n ASN 466 Cb 0.55 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.86 3k83 n ASN 466 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3k83 s LEU 467 N -7.11 3.64 -0.22 3.41 1.43 -0.99 -4.82 118.68 114.01 3k83 s LEU 467 Ca 0.46 1.98 -0.05 0.00 -1.03 0.00 0.00 54.13 55.49 3k83 s LEU 467 Cb -0.23 -4.56 -0.19 0.00 0.03 0.00 0.00 46.19 41.25 3k83 s LEU 467 CO 0.83 -1.16 -0.07 0.47 0.23 0.00 0.00 176.35 176.65 3k83 n ASP 468 N -1.61 2.01 -3.59 2.29 10.43 0.27 -4.90 116.55 121.44 3k83 n ASP 468 Ca 0.10 0.07 -0.13 0.00 2.57 0.00 0.00 54.79 57.41 3k83 n ASP 468 Cb 0.52 -0.64 -0.05 0.00 1.84 0.00 0.00 41.12 42.79 3k83 n ASP 468 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 3k83 s VAL 469 N -2.52 0.00 -0.04 2.53 -7.23 -1.02 -4.66 120.40 107.47 3k83 s VAL 469 Ca -0.32 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 58.27 3k83 s VAL 469 Cb 0.09 -2.49 0.02 0.00 0.56 0.00 0.00 36.38 34.56 3k83 s VAL 469 CO 0.62 0.00 -0.02 -0.22 -0.31 0.00 0.00 175.10 175.17 3k83 s LEU 470 N -3.16 1.25 -0.19 1.32 2.96 -0.20 -0.99 118.68 119.66 3k83 s LEU 470 Ca 0.29 -0.07 -0.05 0.00 -0.22 0.00 0.00 54.13 54.08 3k83 s LEU 470 Cb 0.00 -0.32 -0.02 0.00 0.50 0.00 0.00 46.19 46.35 3k83 s LEU 470 CO 0.16 -0.08 -0.01 -0.22 -1.32 0.00 0.00 176.35 174.88 3k83 s LEU 471 N 0.96 3.23 0.16 -0.68 2.96 0.13 -0.73 118.68 124.71 3k83 s LEU 471 Ca -0.11 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 3k83 s LEU 471 Cb -0.14 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 3k83 s LEU 471 CO -0.01 0.08 -0.05 0.42 -1.32 0.00 0.00 176.35 175.47 3k83 s THR 472 N 0.93 0.88 0.81 3.68 -4.23 -0.38 -2.99 115.64 114.34 3k83 s THR 472 Ca 0.01 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.40 3k83 s THR 472 Cb -0.14 -1.97 0.08 0.00 1.34 0.00 0.00 72.50 71.81 3k83 s THR 472 CO 0.02 -0.63 1.14 -2.84 -0.54 0.00 0.00 174.62 171.77 3k83 s PRO 473 N -3.84 1.81 -0.03 3.99 0.02 -1.26 -0.69 135.00 135.01 3k83 s PRO 473 Ca 0.20 1.47 0.04 0.00 0.02 0.00 0.00 61.00 62.72 3k83 s PRO 473 Cb 0.05 -1.82 -0.00 0.00 0.02 0.00 0.00 34.50 32.74 3k83 s PRO 473 CO 0.02 -2.03 -0.13 1.41 -0.33 0.00 0.00 177.00 175.93 3k83 s MET 474 N -4.50 1.37 0.13 5.54 1.75 -1.24 -4.34 119.30 118.01 3k83 s MET 474 Ca 0.67 -0.47 -0.34 0.00 -1.25 0.00 0.00 55.69 54.30 3k83 s MET 474 Cb -0.22 -1.23 -0.14 0.00 2.84 0.00 0.00 34.83 36.08 3k83 s MET 474 CO 0.53 0.20 1.59 -0.11 -0.65 0.00 0.00 175.02 176.58 3k83 n LEU 475 N 3.15 3.03 0.00 4.11 7.94 -1.26 -4.60 117.00 129.36 3k83 n LEU 475 Ca -0.18 1.08 0.00 0.00 -1.11 0.00 0.00 56.01 55.80 3k83 n LEU 475 Cb 0.54 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 43.08 3k83 n LEU 475 CO 0.25 -0.32 0.00 0.61 -1.11 0.00 0.00 177.39 176.82 3k83 n GLY 476 N 3.45 0.70 2.94 -3.96 0.00 -1.26 -4.73 105.19 102.33 3k83 n GLY 476 Ca 0.18 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 3k83 n GLY 476 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k83 n PRO 477 N -0.20 -2.16 -1.73 1.61 -0.04 -1.26 -4.41 135.00 126.81 3k83 n PRO 477 Ca 0.00 -1.50 -0.42 0.00 -0.04 0.00 0.00 63.50 61.54 3k83 n PRO 477 Cb 0.00 -1.25 -0.01 0.00 -0.04 0.00 0.00 33.50 32.20 3k83 n PRO 477 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k83 n ALA 478 N -4.24 1.74 -2.06 0.55 0.00 -1.26 -4.92 120.51 110.32 3k83 n ALA 478 Ca -0.17 0.36 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 3k83 n ALA 478 Cb 0.47 -2.32 -0.06 0.00 0.00 0.00 0.00 19.45 17.54 3k83 n ALA 478 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k83 s LEU 479 N -1.36 4.03 0.44 0.00 1.02 -1.26 -4.69 118.68 116.86 3k83 s LEU 479 Ca 0.55 1.38 -0.23 0.00 0.02 0.00 0.00 54.13 55.85 3k83 s LEU 479 Cb -0.53 -4.20 -0.11 0.00 0.02 0.00 0.00 46.19 41.37 3k83 s LEU 479 CO 0.62 -0.25 0.75 0.47 0.02 0.00 0.00 176.35 177.96 3k83 n ASP 480 N -0.46 0.05 -4.39 2.29 9.92 -0.18 -0.41 116.55 123.36 3k83 n ASP 480 Ca 0.04 0.94 -0.44 0.00 -0.53 0.00 0.00 54.79 54.80 3k83 n ASP 480 Cb 0.53 -1.23 -0.01 0.00 -0.64 0.00 0.00 41.12 39.78 3k83 n ASP 480 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3k83 n LEU 481 N 0.80 -1.34 -0.82 0.64 4.77 -0.70 -2.25 117.00 118.10 3k83 n LEU 481 Ca 0.11 0.98 -0.11 0.00 -0.03 0.00 0.00 56.01 56.96 3k83 n LEU 481 Cb 0.40 -0.98 -0.05 0.00 -2.33 0.00 0.00 43.42 40.46 3k83 n LEU 481 CO 0.55 -3.27 -0.10 0.59 -1.33 0.00 0.00 177.39 173.83 3k83 n ASN 482 N 1.92 -5.33 -0.07 -1.43 5.03 -1.26 -4.84 115.26 109.27 3k83 n ASN 482 Ca 0.14 0.26 -0.07 0.00 0.87 0.00 0.00 54.58 55.78 3k83 n ASN 482 Cb 0.33 -3.76 -0.12 0.00 -1.02 0.00 0.00 39.78 35.21 3k83 n ASN 482 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 3k83 n THR 483 N -2.34 1.02 -0.34 3.41 -2.24 -0.95 -4.56 114.28 108.27 3k83 n THR 483 Ca -0.11 -0.63 0.23 0.00 -2.27 0.00 0.00 64.05 61.27 3k83 n THR 483 Cb 0.52 -0.60 0.46 0.00 -2.10 0.00 0.00 70.33 68.61 3k83 n THR 483 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3k83 h PRO 484 N 0.00 0.37 0.00 -0.78 0.11 -1.89 0.37 132.00 130.18 3k83 h PRO 484 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3k83 h PRO 484 Cb 1.92 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.95 3k83 h PRO 484 CO 0.02 0.24 0.00 0.41 -0.21 0.00 0.00 178.00 178.47 3k83 n GLY 485 N -1.30 -0.95 0.59 -0.55 0.00 -1.25 -1.48 105.19 100.25 3k83 n GLY 485 Ca 0.31 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.40 3k83 n GLY 485 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k83 n ARG 486 N -1.76 2.88 -2.90 1.61 1.74 0.13 -4.45 116.66 113.91 3k83 n ARG 486 Ca 0.02 -2.05 -0.17 0.00 -0.77 0.00 0.00 57.85 54.88 3k83 n ARG 486 Cb 0.13 -1.28 -0.01 0.00 -1.02 0.00 0.00 32.46 30.29 3k83 n ARG 486 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k83 n ALA 487 N 0.32 3.12 -0.26 7.54 0.00 -0.55 -4.41 120.51 126.27 3k83 n ALA 487 Ca 0.11 -3.53 -0.02 0.00 0.00 0.00 0.00 53.44 50.00 3k83 n ALA 487 Cb 0.44 -0.87 0.17 0.00 0.00 0.00 0.00 19.45 19.19 3k83 n ALA 487 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3k83 h THR 488 N 2.11 1.23 -0.42 0.00 2.02 -1.83 -2.73 112.91 113.29 3k83 h THR 488 Ca 0.05 -0.55 0.12 0.00 0.77 0.00 0.00 66.41 66.80 3k83 h THR 488 Cb 0.99 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3k83 h THR 488 CO 0.57 0.25 0.38 1.23 0.37 0.00 0.00 175.52 178.32 3k83 h GLY 489 N 1.12 0.00 1.38 2.16 0.00 -1.93 -1.78 103.07 104.02 3k83 h GLY 489 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3k83 h GLY 489 CO -0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.49 3k83 n ALA 490 N -2.45 2.01 1.59 3.60 0.00 -1.03 -2.37 120.51 121.85 3k83 n ALA 490 Ca 0.07 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.53 3k83 n ALA 490 Cb 0.56 -1.28 0.63 0.00 0.00 0.00 0.00 19.45 19.36 3k83 n ALA 490 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3k83 n VAL 491 N -1.19 0.00 -0.27 0.00 0.24 -0.67 -4.25 118.33 112.19 3k83 n VAL 491 Ca 0.10 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.39 3k83 n VAL 491 Cb 0.11 -0.52 0.19 0.00 -1.47 0.00 0.00 33.84 32.15 3k83 n VAL 491 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3k83 h SER 492 N 0.00 0.97 -0.06 -1.34 4.64 -1.71 0.23 113.55 116.28 3k83 h SER 492 Ca 0.00 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.17 3k83 h SER 492 Cb 0.00 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 3k83 h SER 492 CO 0.00 0.72 -0.31 1.88 -0.87 0.00 0.00 176.83 178.24 3k83 h TYR 493 N 1.14 0.61 0.05 4.77 0.05 -1.87 -3.17 116.97 118.54 3k83 h TYR 493 Ca 0.30 -0.15 -0.38 0.00 0.05 0.00 0.00 58.73 58.56 3k83 h TYR 493 Cb -0.10 -0.14 -0.05 0.00 1.01 0.00 0.00 36.73 37.45 3k83 h TYR 493 CO 0.00 0.78 -2.23 0.25 -1.05 0.00 0.00 178.16 175.92 3k83 n THR 494 N -4.08 1.60 0.24 -2.88 -2.24 -1.02 -4.45 114.28 101.46 3k83 n THR 494 Ca -0.01 -0.54 0.09 0.00 -2.27 0.00 0.00 64.05 61.32 3k83 n THR 494 Cb 0.45 -1.62 0.62 0.00 -2.10 0.00 0.00 70.33 67.68 3k83 n THR 494 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 3k83 h MET 495 N -0.15 0.00 -1.01 -0.78 1.85 -0.47 -1.25 114.93 113.12 3k83 h MET 495 Ca -0.52 0.00 0.24 0.00 -0.61 0.00 0.00 59.70 58.80 3k83 h MET 495 Cb 1.88 0.00 -0.10 0.00 0.43 0.00 0.00 31.60 33.81 3k83 h MET 495 CO -0.07 0.16 0.63 1.25 -0.40 0.00 0.00 176.91 178.48 3k83 h LEU 496 N 0.00 0.59 0.00 3.39 5.85 -1.75 -1.80 115.31 121.58 3k83 h LEU 496 Ca -0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3k83 h LEU 496 Cb 0.35 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3k83 h LEU 496 CO 0.02 0.15 -0.44 -1.22 -0.34 0.00 0.00 178.44 176.61 3k83 n TYR 497 N -4.72 0.54 -0.02 1.25 4.01 -0.47 -1.61 117.16 116.14 3k83 n TYR 497 Ca 0.25 0.16 -0.17 0.00 -0.16 0.00 0.00 57.90 57.98 3k83 n TYR 497 Cb 0.75 -0.66 -0.09 0.00 -0.31 0.00 0.00 39.34 39.02 3k83 n TYR 497 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3k83 h ASN 498 N 0.00 0.67 -0.19 7.72 4.21 -1.44 -0.50 115.58 126.05 3k83 h ASN 498 Ca 0.00 -0.67 0.05 0.00 1.21 0.00 0.00 56.30 56.89 3k83 h ASN 498 Cb 0.70 -0.20 -0.05 0.00 -1.12 0.00 0.00 38.32 37.65 3k83 h ASN 498 CO 0.00 1.23 -0.14 0.00 -1.29 0.00 0.00 177.43 177.24 3k83 h LEU 500 N -0.14 0.00 -2.50 0.00 3.38 -1.40 -3.48 115.31 111.17 3k83 h LEU 500 Ca 0.11 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.67 3k83 h LEU 500 Cb 0.31 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.13 3k83 h LEU 500 CO -0.28 0.00 -0.89 -0.67 0.09 0.00 0.00 178.44 176.70 3k83 n ASP 501 N -2.87 -3.60 -4.69 -0.43 4.64 -0.26 -4.94 116.55 104.39 3k83 n ASP 501 Ca 0.03 -0.91 -0.33 0.00 -1.38 0.00 0.00 54.79 52.20 3k83 n ASP 501 Cb 0.41 -3.81 -0.09 0.00 -1.04 0.00 0.00 41.12 36.59 3k83 n ASP 501 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 3k83 s PHE 502 N -3.58 3.10 0.27 -0.67 2.99 -0.80 -4.49 117.98 114.81 3k83 s PHE 502 Ca 0.27 0.09 -0.30 0.00 0.00 0.00 0.00 56.93 56.99 3k83 s PHE 502 Cb -0.08 -1.67 -0.11 0.00 0.00 0.00 0.00 43.02 41.15 3k83 s PHE 502 CO 0.83 0.47 1.60 -1.25 -0.00 0.00 0.00 175.22 176.88 3k83 s PRO 503 N -1.59 4.13 -0.07 0.24 0.04 -1.25 -4.62 135.00 131.88 3k83 s PRO 503 Ca 0.20 2.56 -0.06 0.00 0.04 0.00 0.00 61.00 63.74 3k83 s PRO 503 Cb -0.12 -3.04 0.03 0.00 0.04 0.00 0.00 34.50 31.41 3k83 s PRO 503 CO 0.11 -0.64 0.19 0.00 0.04 0.00 0.00 177.00 176.70 3k83 s ALA 504 N 0.20 -0.44 0.20 8.56 0.00 -0.04 -2.40 121.76 127.84 3k83 s ALA 504 Ca 0.65 0.62 0.02 0.00 0.00 0.00 0.00 51.96 53.25 3k83 s ALA 504 Cb -0.48 -0.38 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 3k83 s ALA 504 CO 0.45 -0.12 0.01 0.20 0.00 0.00 0.00 175.76 176.30 3k83 s GLY 505 N 0.46 1.38 0.02 0.00 0.00 0.56 -0.38 107.32 109.37 3k83 s GLY 505 Ca -0.03 -1.68 0.06 0.00 0.00 0.00 0.00 44.72 43.07 3k83 s GLY 505 CO -0.02 -1.58 -0.17 -1.34 0.00 0.00 0.00 173.10 169.99 3k83 s VAL 506 N -3.58 1.33 -0.06 1.40 -7.23 -0.03 -0.34 120.40 111.89 3k83 s VAL 506 Ca 0.27 -0.93 0.02 0.00 -1.81 0.00 0.00 61.98 59.53 3k83 s VAL 506 Cb 0.06 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.86 3k83 s VAL 506 CO 0.06 0.21 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.28 3k83 s VAL 507 N -0.64 0.90 0.21 1.32 1.01 -0.95 -2.71 120.40 119.54 3k83 s VAL 507 Ca 0.05 -0.33 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 3k83 s VAL 507 Cb -0.07 -0.85 -0.10 0.00 0.00 0.00 0.00 36.38 35.35 3k83 s VAL 507 CO 0.01 0.31 1.51 -2.84 0.00 0.00 0.00 175.10 174.08 3k83 s PRO 508 N 0.82 4.23 0.00 2.72 0.02 -1.26 -1.93 135.00 139.60 3k83 s PRO 508 Ca -0.12 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.24 3k83 s PRO 508 Cb -0.15 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.24 3k83 s PRO 508 CO 0.02 -0.52 0.00 1.33 -0.33 0.00 0.00 177.00 177.50 3k83 n VAL 509 N 3.09 0.00 -3.84 3.83 0.24 -0.41 -4.80 118.33 116.44 3k83 n VAL 509 Ca 0.10 -0.17 -0.06 0.00 -2.04 0.00 0.00 64.34 62.18 3k83 n VAL 509 Cb 0.39 0.68 0.02 0.00 -1.47 0.00 0.00 33.84 33.46 3k83 n VAL 509 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3k83 s THR 510 N -0.92 0.00 0.18 3.34 -1.32 -1.04 -4.76 115.64 111.12 3k83 s THR 510 Ca 0.00 -0.78 0.09 0.00 -1.21 0.00 0.00 61.69 59.78 3k83 s THR 510 Cb 0.00 -2.77 -0.04 0.00 -1.51 0.00 0.00 72.50 68.18 3k83 s THR 510 CO 0.00 0.00 -0.18 0.42 -2.21 0.00 0.00 174.62 172.65 3k83 s THR 511 N -2.40 1.90 0.04 5.08 -4.23 -1.26 -0.42 115.64 114.35 3k83 s THR 511 Ca 0.18 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.39 3k83 s THR 511 Cb -0.04 -1.92 -0.07 0.00 1.34 0.00 0.00 72.50 71.81 3k83 s THR 511 CO 0.08 -0.34 1.54 -0.69 -0.54 0.00 0.00 174.62 174.66 3k83 s VAL 512 N -2.16 3.33 0.61 2.29 1.01 0.02 -4.85 120.40 120.65 3k83 s VAL 512 Ca 0.18 0.76 -0.03 0.00 0.00 0.00 0.00 61.98 62.89 3k83 s VAL 512 Cb -0.05 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.88 3k83 s VAL 512 CO 0.07 -0.00 0.88 0.42 0.00 0.00 0.00 175.10 176.48 3k83 s THR 513 N 2.49 2.77 0.23 3.92 -4.23 -1.26 -0.37 115.64 119.19 3k83 s THR 513 Ca 0.69 -0.39 -0.07 0.00 -1.18 0.00 0.00 61.69 60.75 3k83 s THR 513 Cb -0.36 -3.11 0.20 0.00 1.34 0.00 0.00 72.50 70.57 3k83 s THR 513 CO 0.30 -0.10 1.86 0.00 -0.54 0.00 0.00 174.62 176.14 3k83 h ALA 514 N -0.21 1.11 -0.33 3.99 0.00 -1.98 -0.55 119.26 121.29 3k83 h ALA 514 Ca -0.44 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3k83 h ALA 514 Cb 1.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3k83 h ALA 514 CO 0.57 0.31 0.04 1.49 0.00 0.00 0.00 179.25 181.66 3k83 h GLU 515 N 0.99 0.56 -0.47 0.00 4.81 -1.99 0.91 114.58 119.39 3k83 h GLU 515 Ca 0.34 -0.16 0.09 0.00 -0.13 0.00 0.00 59.36 59.50 3k83 h GLU 515 Cb 0.08 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.33 3k83 h GLU 515 CO -0.14 0.65 0.04 -0.44 -0.73 0.00 0.00 179.01 178.39 3k83 h ASP 516 N 0.38 -0.11 -0.08 1.04 3.45 -1.86 -0.41 116.42 118.84 3k83 h ASP 516 Ca 0.10 0.10 -0.13 0.00 0.43 0.00 0.00 57.03 57.53 3k83 h ASP 516 Cb 0.37 0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.29 3k83 h ASP 516 CO 0.01 -0.02 -0.38 -0.78 -1.57 0.00 0.00 179.24 176.49 3k83 h ASP 517 N 0.16 0.62 -0.36 6.45 3.58 -0.85 -2.17 116.42 123.85 3k83 h ASP 517 Ca 0.24 -0.27 -0.13 0.00 0.42 0.00 0.00 57.03 57.29 3k83 h ASP 517 Cb 0.34 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 3k83 h ASP 517 CO -0.36 0.94 -0.24 0.00 -2.88 0.00 0.00 179.24 176.71 3k83 h ALA 518 N 1.09 0.78 0.00 -0.78 0.00 -0.40 -3.01 119.26 116.94 3k83 h ALA 518 Ca 0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3k83 h ALA 518 Cb 0.88 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3k83 h ALA 518 CO 0.08 0.65 -0.15 1.96 0.00 0.00 0.00 179.25 181.79 3k83 h GLN 519 N 0.75 0.00 0.00 0.00 4.20 -0.81 -1.78 115.11 117.48 3k83 h GLN 519 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3k83 h GLN 519 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 3k83 h GLN 519 CO 0.06 0.15 0.00 1.98 -0.67 0.00 0.00 178.83 180.35 3k83 h MET 520 N 0.00 0.00 0.00 1.46 4.05 -1.25 -0.74 114.93 118.44 3k83 h MET 520 Ca -0.00 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 3k83 h MET 520 Cb 0.56 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.35 3k83 h MET 520 CO 0.02 0.00 -0.13 0.93 0.23 0.00 0.00 176.91 177.96 3k83 h GLU 521 N 0.00 0.00 -0.39 0.39 3.07 -1.43 -2.61 114.58 113.61 3k83 h GLU 521 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3k83 h GLU 521 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3k83 h GLU 521 CO 0.00 0.13 0.00 1.28 -1.40 0.00 0.00 179.01 179.02 3k83 n LEU 522 N -3.33 2.84 -4.67 1.33 4.77 -0.29 -4.97 117.00 112.69 3k83 n LEU 522 Ca -0.00 -1.29 -0.42 0.00 -0.03 0.00 0.00 56.01 54.27 3k83 n LEU 522 Cb 0.35 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 3k83 n LEU 522 CO 0.31 0.64 1.35 -0.47 -1.33 0.00 0.00 177.39 177.89 3k83 s TYR 523 N -1.49 2.13 -0.13 -1.77 6.14 -0.99 -4.91 117.35 116.34 3k83 s TYR 523 Ca 0.37 0.24 0.08 0.00 0.64 0.00 0.00 57.07 58.40 3k83 s TYR 523 Cb 0.20 -3.93 -0.14 0.00 0.42 0.00 0.00 41.96 38.52 3k83 s TYR 523 CO 0.28 -3.83 -0.01 1.63 0.64 0.00 0.00 175.55 174.26 3k83 n LYS 524 N 6.58 1.52 0.00 4.97 4.76 -1.26 -4.93 118.16 129.81 3k83 n LYS 524 Ca 0.17 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 3k83 n LYS 524 Cb 0.42 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 3k83 n LYS 524 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k83 n GLY 525 N 2.37 -2.13 0.12 0.72 0.00 -1.26 -4.12 105.19 100.89 3k83 n GLY 525 Ca -0.23 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.42 3k83 n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3k83 h TYR 526 N 0.00 0.00 0.00 1.61 0.05 -1.94 -3.39 116.97 113.30 3k83 h TYR 526 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.71 3k83 h TYR 526 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3k83 h TYR 526 CO 0.00 0.00 -1.36 1.19 -1.05 0.00 0.00 178.16 176.94 3k83 n PHE 527 N -2.49 0.00 -1.39 4.88 3.01 -1.26 -5.01 117.46 115.19 3k83 n PHE 527 Ca 0.04 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.36 3k83 n PHE 527 Cb 0.48 -0.23 -0.06 0.00 -0.01 0.00 0.00 39.48 39.65 3k83 n PHE 527 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k83 n GLY 528 N 2.46 1.40 3.67 1.37 0.00 -1.26 -5.00 105.19 107.84 3k83 n GLY 528 Ca -0.06 -0.31 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 3k83 n GLY 528 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k83 n ASP 529 N -0.39 0.97 0.08 1.61 3.85 -1.26 -4.80 116.55 116.61 3k83 n ASP 529 Ca -0.13 -1.92 0.14 0.00 -0.71 0.00 0.00 54.79 52.17 3k83 n ASP 529 Cb 0.47 -0.70 0.64 0.00 -1.35 0.00 0.00 41.12 40.17 3k83 n ASP 529 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 3k83 h ILE 530 N -0.89 0.87 -0.31 2.12 6.09 -1.95 -1.52 117.51 121.91 3k83 h ILE 530 Ca -0.34 -0.03 -0.08 0.00 -1.37 0.00 0.00 64.86 63.05 3k83 h ILE 530 Cb 1.15 0.78 -0.01 0.00 0.47 0.00 0.00 36.82 39.21 3k83 h ILE 530 CO 0.32 0.01 -0.11 -0.50 -3.07 0.00 0.00 178.15 174.81 3k83 h TRP 531 N 0.08 0.71 -0.39 2.19 6.55 -1.93 -0.88 115.95 122.27 3k83 h TRP 531 Ca 0.16 -0.16 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 3k83 h TRP 531 Cb 0.55 -0.17 -0.02 0.00 -0.86 0.00 0.00 29.16 28.66 3k83 h TRP 531 CO -0.00 0.82 0.19 -0.44 -1.05 0.00 0.00 178.44 177.96 3k83 h ASP 532 N 0.39 0.51 -0.35 -3.49 3.45 -1.74 -2.11 116.42 113.09 3k83 h ASP 532 Ca 0.08 -0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.41 3k83 h ASP 532 Cb 0.61 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.23 3k83 h ASP 532 CO 0.04 0.49 0.23 0.40 -1.57 0.00 0.00 179.24 178.83 3k83 h ILE 533 N 0.50 1.09 -0.88 0.35 2.04 -1.13 -2.78 117.51 116.69 3k83 h ILE 533 Ca 0.14 -0.16 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3k83 h ILE 533 Cb 0.12 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 3k83 h ILE 533 CO -0.02 0.09 0.48 0.40 0.00 0.00 0.00 178.15 179.10 3k83 h ILE 534 N 0.47 1.26 -0.54 -0.67 1.08 -1.16 -3.08 117.51 114.87 3k83 h ILE 534 Ca 0.13 -0.64 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 3k83 h ILE 534 Cb -0.05 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 33.74 3k83 h ILE 534 CO -0.03 0.29 0.30 0.25 -0.69 0.00 0.00 178.15 178.27 3k83 h LEU 535 N 1.23 0.67 -0.45 1.44 5.85 -1.11 0.29 115.31 123.23 3k83 h LEU 535 Ca 0.31 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.97 3k83 h LEU 535 Cb 0.03 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 3k83 h LEU 535 CO -0.05 0.56 0.26 0.50 -0.34 0.00 0.00 178.44 179.37 3k83 h LYS 536 N 0.72 0.50 -0.42 1.25 3.64 -1.44 -2.06 116.57 118.77 3k83 h LYS 536 Ca 0.19 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.41 3k83 h LYS 536 Cb 0.04 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3k83 h LYS 536 CO -0.03 0.33 -0.23 0.87 -2.27 0.00 0.00 179.45 178.12 3k83 h LYS 537 N 0.52 0.90 0.00 1.90 1.57 -1.32 -3.13 116.57 117.00 3k83 h LYS 537 Ca 0.18 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3k83 h LYS 537 Cb 0.03 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3k83 h LYS 537 CO -0.09 1.06 0.00 0.00 -0.57 0.00 0.00 179.45 179.85 3k83 h ALA 538 N 0.82 1.00 -0.11 3.86 0.00 -0.24 -2.72 119.26 121.87 3k83 h ALA 538 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3k83 h ALA 538 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3k83 h ALA 538 CO 0.07 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.99 3k83 n MET 539 N -3.09 2.31 -1.36 0.00 2.81 -0.79 -1.02 117.12 115.99 3k83 n MET 539 Ca -0.00 -1.93 -0.35 0.00 -1.81 0.00 0.00 57.70 53.61 3k83 n MET 539 Cb 0.25 -1.47 0.10 0.00 -0.71 0.00 0.00 33.22 31.40 3k83 n MET 539 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3k83 n LYS 540 N 1.28 0.56 -3.36 0.03 4.81 -1.03 -3.99 118.16 116.47 3k83 n LYS 540 Ca 0.16 0.26 -0.17 0.00 -0.87 0.00 0.00 58.31 57.68 3k83 n LYS 540 Cb 0.58 -2.48 0.07 0.00 0.02 0.00 0.00 35.03 33.23 3k83 n LYS 540 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3k83 n ASN 541 N -2.71 -4.87 -0.08 3.14 5.15 -1.26 -4.95 115.26 109.67 3k83 n ASN 541 Ca 0.15 -0.71 0.02 0.00 -0.60 0.00 0.00 54.58 53.43 3k83 n ASN 541 Cb 0.49 -4.98 0.04 0.00 -0.53 0.00 0.00 39.78 34.80 3k83 n ASN 541 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k83 n SER 542 N -3.15 2.17 -4.67 1.20 7.64 -1.26 -5.03 113.62 110.52 3k83 n SER 542 Ca -0.15 -2.18 -0.46 0.00 1.01 0.00 0.00 58.87 57.09 3k83 n SER 542 Cb 0.64 -0.10 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 3k83 n SER 542 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3k83 n VAL 543 N -0.55 0.04 0.00 0.44 0.31 -1.26 -1.66 118.33 115.65 3k83 n VAL 543 Ca 0.04 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3k83 n VAL 543 Cb 0.34 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3k83 n VAL 543 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3k83 n GLY 544 N 3.36 2.77 3.77 2.92 0.00 0.50 -4.94 105.19 113.58 3k83 n GLY 544 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3k83 n GLY 544 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k83 s LEU 545 N 0.00 4.05 0.43 0.99 1.43 -0.66 -4.56 118.68 120.35 3k83 s LEU 545 Ca 0.00 2.22 -0.25 0.00 -1.03 0.00 0.00 54.13 55.07 3k83 s LEU 545 Cb 0.00 -4.23 -0.08 0.00 0.03 0.00 0.00 46.19 41.91 3k83 s LEU 545 CO 0.00 -0.78 1.28 -2.16 0.23 0.00 0.00 176.35 174.92 3k83 s PRO 546 N -2.64 3.87 -0.00 1.29 0.05 -1.26 -0.80 135.00 135.51 3k83 s PRO 546 Ca 0.62 2.09 0.04 0.00 0.05 0.00 0.00 61.00 63.80 3k83 s PRO 546 Cb -0.26 -2.66 -0.01 0.00 0.05 0.00 0.00 34.50 31.62 3k83 s PRO 546 CO 0.32 -0.55 -0.13 0.08 0.05 0.00 0.00 177.00 176.77 3k83 s VAL 547 N -1.31 1.02 0.41 -0.36 1.01 0.44 -4.61 120.40 117.00 3k83 s VAL 547 Ca 0.59 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 62.04 3k83 s VAL 547 Cb -0.37 -0.86 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 3k83 s VAL 547 CO 0.46 0.26 0.06 0.00 0.00 0.00 0.00 175.10 175.88 3k83 s ALA 548 N -0.36 3.30 0.36 5.51 0.00 -1.26 -1.28 121.76 128.03 3k83 s ALA 548 Ca 0.05 -2.23 0.09 0.00 0.00 0.00 0.00 51.96 49.86 3k83 s ALA 548 Cb -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 23.12 23.00 3k83 s ALA 548 CO -0.00 -0.13 -0.05 0.14 0.00 0.00 0.00 175.76 175.71 3k83 s VAL 549 N -2.68 2.20 -0.06 0.00 -7.23 -0.81 -3.64 120.40 108.18 3k83 s VAL 549 Ca 0.37 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.43 3k83 s VAL 549 Cb 0.08 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 3k83 s VAL 549 CO 0.19 -0.14 -0.09 -1.58 -0.31 0.00 0.00 175.10 173.17 3k83 s GLN 550 N -3.65 2.67 -0.11 4.82 0.74 0.13 -2.24 119.66 122.03 3k83 s GLN 550 Ca 0.33 -0.60 0.04 0.00 0.05 0.00 0.00 55.36 55.18 3k83 s GLN 550 Cb 0.04 -2.53 -0.00 0.00 1.10 0.00 0.00 33.01 31.63 3k83 s GLN 550 CO 0.17 0.65 -0.23 0.00 -0.55 0.00 0.00 175.29 175.33 3k83 s VAL 552 N 0.39 1.37 0.36 0.00 1.01 0.09 -0.32 120.40 123.30 3k83 s VAL 552 Ca -0.17 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 60.93 3k83 s VAL 552 Cb -0.18 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3k83 s VAL 552 CO 0.08 0.23 0.20 0.00 0.00 0.00 0.00 175.10 175.61 3k83 n ALA 553 N 2.22 0.62 -1.30 5.51 0.00 -1.01 -1.03 120.51 125.52 3k83 n ALA 553 Ca -0.16 -1.95 -0.30 0.00 0.00 0.00 0.00 53.44 51.03 3k83 n ALA 553 Cb 0.54 1.44 0.13 0.00 0.00 0.00 0.00 19.45 21.55 3k83 n ALA 553 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k83 s LEU 554 N 0.00 2.34 0.25 0.00 1.43 -1.26 -3.81 118.68 117.63 3k83 s LEU 554 Ca 0.29 1.42 -0.29 0.00 -1.03 0.00 0.00 54.13 54.52 3k83 s LEU 554 Cb 0.01 -3.89 -0.15 0.00 0.03 0.00 0.00 46.19 42.20 3k83 s LEU 554 CO 0.20 -2.47 1.02 -2.65 0.23 0.00 0.00 176.35 172.69 3k83 n PRO 555 N -3.76 1.22 -0.93 1.29 -0.02 -1.26 -1.22 135.00 130.32 3k83 n PRO 555 Ca 0.07 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3k83 n PRO 555 Cb 0.56 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3k83 n PRO 555 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3k83 n TRP 556 N 0.57 0.00 -1.70 6.00 7.02 -1.26 -4.89 117.44 123.17 3k83 n TRP 556 Ca 0.12 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.24 3k83 n TRP 556 Cb 0.30 -0.91 0.05 0.00 -2.42 0.00 0.00 31.31 28.33 3k83 n TRP 556 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3k83 n GLN 557 N -1.33 2.84 -0.34 -0.99 1.13 -0.36 -4.68 117.38 113.65 3k83 n GLN 557 Ca 0.00 -3.54 0.04 0.00 -1.94 0.00 0.00 57.00 51.57 3k83 n GLN 557 Cb 0.17 -2.28 0.20 0.00 0.11 0.00 0.00 30.24 28.44 3k83 n GLN 557 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3k83 h GLU 558 N 2.46 0.95 -0.90 -1.09 3.07 -1.90 -0.69 114.58 116.47 3k83 h GLU 558 Ca 0.55 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.34 3k83 h GLU 558 Cb 0.56 -0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 28.21 3k83 h GLU 558 CO 1.42 0.63 0.51 0.93 -1.40 0.00 0.00 179.01 181.09 3k83 h GLU 559 N 0.98 1.25 -0.15 2.33 3.07 -1.91 0.19 114.58 120.34 3k83 h GLU 559 Ca 0.45 -0.14 -0.17 0.00 -0.50 0.00 0.00 59.36 58.99 3k83 h GLU 559 Cb 0.36 -0.25 0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3k83 h GLU 559 CO -0.23 0.90 -0.59 1.25 -1.40 0.00 0.00 179.01 178.94 3k83 h LEU 560 N 1.26 0.77 -0.54 1.33 5.85 -1.73 0.66 115.31 122.91 3k83 h LEU 560 Ca 0.32 -0.62 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3k83 h LEU 560 Cb 0.01 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3k83 h LEU 560 CO -0.05 1.26 0.31 0.00 -0.34 0.00 0.00 178.44 179.62 3k83 h LEU 562 N 0.62 0.70 -0.64 0.00 3.38 -0.51 0.13 115.31 118.98 3k83 h LEU 562 Ca 0.22 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 58.00 3k83 h LEU 562 Cb 0.05 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3k83 h LEU 562 CO -0.11 0.90 0.36 -0.09 0.09 0.00 0.00 178.44 179.59 3k83 h ARG 563 N 0.61 0.66 -0.27 1.13 1.12 -0.22 -0.11 114.38 117.30 3k83 h ARG 563 Ca 0.09 -0.04 -0.19 0.00 -1.11 0.00 0.00 59.98 58.73 3k83 h ARG 563 Cb 0.69 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.51 3k83 h ARG 563 CO 0.05 0.44 -0.58 0.35 -3.11 0.00 0.00 179.97 177.12 3k83 h PHE 564 N 0.68 1.09 -0.83 2.20 -0.00 -0.66 -2.17 116.94 117.26 3k83 h PHE 564 Ca 0.28 -0.40 0.02 0.00 -0.00 0.00 0.00 57.97 57.87 3k83 h PHE 564 Cb 0.14 -0.20 -0.04 0.00 -0.00 0.00 0.00 35.95 35.85 3k83 h PHE 564 CO -0.08 1.23 0.54 0.52 -0.00 0.00 0.00 178.31 180.52 3k83 h MET 565 N 0.65 1.05 -0.93 1.11 2.86 -0.36 -1.63 114.93 117.69 3k83 h MET 565 Ca 0.01 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3k83 h MET 565 Cb 1.19 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 32.55 3k83 h MET 565 CO 0.13 0.69 0.61 -0.09 1.06 0.00 0.00 176.91 179.31 3k83 h ARG 566 N 1.08 1.11 -0.16 1.72 2.43 -0.84 -1.20 114.38 118.54 3k83 h ARG 566 Ca 0.31 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 3k83 h ARG 566 Cb -0.07 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.22 3k83 h ARG 566 CO -0.09 0.74 0.06 1.49 -1.51 0.00 0.00 179.97 180.66 3k83 h GLU 567 N 1.15 0.23 -0.93 0.20 4.57 -0.67 -0.63 114.58 118.50 3k83 h GLU 567 Ca 0.38 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.51 3k83 h GLU 567 Cb 0.05 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 3k83 h GLU 567 CO -0.12 0.32 0.56 0.28 -1.18 0.00 0.00 179.01 178.86 3k83 h VAL 568 N 0.10 1.25 -0.64 0.32 2.07 -1.10 -2.42 116.25 115.84 3k83 h VAL 568 Ca 0.05 -0.55 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 3k83 h VAL 568 Cb 0.17 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 3k83 h VAL 568 CO -0.00 0.27 0.21 -0.08 0.02 0.00 0.00 177.57 177.98 3k83 h GLU 569 N 1.28 0.99 -0.45 1.57 4.81 -0.98 -0.58 114.58 121.21 3k83 h GLU 569 Ca 0.33 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3k83 h GLU 569 Cb -0.06 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3k83 h GLU 569 CO -0.06 0.86 0.23 1.96 -0.73 0.00 0.00 179.01 181.27 3k83 h GLN 570 N 0.92 0.61 0.04 1.92 4.20 -0.83 -2.18 115.11 119.78 3k83 h GLN 570 Ca 0.21 -0.06 -0.31 0.00 0.06 0.00 0.00 58.65 58.55 3k83 h GLN 570 Cb 0.28 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 3k83 h GLN 570 CO -0.01 0.46 -1.77 -0.07 -0.67 0.00 0.00 178.83 176.78 3k83 h LEU 571 N 0.62 0.13 0.00 1.46 3.38 -1.17 -3.32 115.31 116.41 3k83 h LEU 571 Ca 0.16 -0.29 -0.20 0.00 0.09 0.00 0.00 57.88 57.64 3k83 h LEU 571 Cb 0.04 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3k83 h LEU 571 CO -0.02 1.26 -2.20 0.23 0.09 0.00 0.00 178.44 177.79 3k83 n MET 572 N -3.19 0.68 -3.42 1.13 2.81 -0.25 -4.47 117.12 110.40 3k83 n MET 572 Ca -0.21 -0.09 -0.26 0.00 -1.81 0.00 0.00 57.70 55.33 3k83 n MET 572 Cb 1.05 -1.52 -0.09 0.00 -0.71 0.00 0.00 33.22 31.95 3k83 n MET 572 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3k83 n THR 573 N -2.53 0.65 0.87 2.03 -2.24 -0.82 -4.86 114.28 107.39 3k83 n THR 573 Ca -0.20 -4.47 0.08 0.00 -2.27 0.00 0.00 64.05 57.19 3k83 n THR 573 Cb 0.89 -2.00 0.44 0.00 -2.10 0.00 0.00 70.33 67.57 3k83 n THR 573 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3k83 n PRO 574 N 1.54 0.34 -0.06 -0.78 -0.02 -1.25 -2.30 135.00 132.47 3k83 n PRO 574 Ca 0.25 0.08 0.07 0.00 -2.02 0.00 0.00 63.50 61.89 3k83 n PRO 574 Cb 0.45 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.53 3k83 n PRO 574 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3k83 n GLN 575 N -1.18 1.49 -1.86 -0.52 -0.06 -1.26 -4.98 117.38 109.01 3k83 n GLN 575 Ca 0.10 -1.58 -0.41 0.00 -2.00 0.00 0.00 57.00 53.10 3k83 n GLN 575 Cb 0.10 -1.29 -0.01 0.00 -4.06 0.00 0.00 30.24 24.98 3k83 n GLN 575 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 3k83 s LYS 576 N -1.14 4.16 0.15 3.69 2.20 -0.97 -4.94 119.74 122.89 3k83 s LYS 576 Ca 0.20 2.50 -0.31 0.00 -0.36 0.00 0.00 55.97 58.00 3k83 s LYS 576 Cb 0.13 -2.99 -0.10 0.00 -1.51 0.00 0.00 37.83 33.36 3k83 s LYS 576 CO 0.18 -0.47 1.61 -0.65 -0.36 0.00 0.00 175.35 175.66 3k83 s GLN 577 N -2.02 4.20 0.00 4.03 -0.21 -1.26 -5.15 119.66 119.26 3k83 s GLN 577 Ca 0.52 2.39 0.07 0.00 0.02 0.00 0.00 55.36 58.36 3k83 s GLN 577 Cb -0.45 -3.24 0.43 0.00 1.00 0.00 0.00 33.01 30.75 3k83 s GLN 577 CO 0.61 -0.65 0.89 -2.30 -2.12 0.00 0.00 175.29 171.72