#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8b s HIS 2 N 0.00 3.57 -0.11 1.45 5.65 -1.26 -5.07 115.29 119.52 3k8b s HIS 2 Ca 0.00 0.48 0.03 0.00 0.25 0.00 0.00 55.06 55.82 3k8b s HIS 2 Cb 0.00 -1.92 0.01 0.00 -1.18 0.00 0.00 32.58 29.49 3k8b s HIS 2 CO 0.00 0.64 -0.21 -1.58 -0.65 0.00 0.00 174.74 172.94 3k8b s TRP 3 N -1.28 2.44 1.02 3.88 0.52 -1.26 -5.14 118.94 119.13 3k8b s TRP 3 Ca 0.26 -1.09 -0.14 0.00 0.02 0.00 0.00 56.10 55.14 3k8b s TRP 3 Cb -0.13 -1.66 0.20 0.00 -1.15 0.00 0.00 33.47 30.73 3k8b s TRP 3 CO 0.16 -0.48 1.13 -1.54 0.02 0.00 0.00 176.95 176.23 3k8b s SER 4 N 0.61 2.46 0.31 2.95 1.04 -1.26 -4.88 113.70 114.93 3k8b s SER 4 Ca -0.13 0.92 0.19 0.00 0.48 0.00 0.00 55.95 57.41 3k8b s SER 4 Cb -0.17 -1.41 0.15 0.00 0.10 0.00 0.00 66.02 64.69 3k8b s SER 4 CO 0.04 -3.20 1.40 0.00 0.98 0.00 0.00 173.24 172.46 3k8b h ALA 5 N -1.94 0.78 -0.02 5.32 0.00 -2.00 -2.23 119.26 119.16 3k8b h ALA 5 Ca -0.51 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 53.92 3k8b h ALA 5 Cb 1.32 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.11 3k8b h ALA 5 CO 0.52 0.32 -0.94 0.93 0.00 0.00 0.00 179.25 180.08 3k8b h GLU 6 N 0.00 0.56 -0.42 0.00 3.07 -2.00 -2.98 114.58 112.81 3k8b h GLU 6 Ca -0.02 -0.57 -0.01 0.00 -0.50 0.00 0.00 59.36 58.26 3k8b h GLU 6 Cb 1.20 0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 29.24 3k8b h GLU 6 CO 0.03 1.19 0.23 0.93 -1.40 0.00 0.00 179.01 179.99 3k8b h GLU 7 N 0.33 0.59 -0.17 2.33 5.08 -1.90 -1.59 114.58 119.25 3k8b h GLU 7 Ca -0.09 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3k8b h GLU 7 Cb 1.58 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.66 3k8b h GLU 7 CO 0.18 0.47 -0.17 0.87 -1.00 0.00 0.00 179.01 179.35 3k8b h LYS 8 N 0.55 -0.19 -0.62 2.33 1.57 -1.44 -2.29 116.57 116.47 3k8b h LYS 8 Ca 0.15 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3k8b h LYS 8 Cb 0.06 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3k8b h LYS 8 CO -0.02 -0.13 0.13 0.37 -0.57 0.00 0.00 179.45 179.23 3k8b h GLN 9 N -0.20 1.01 -0.08 3.15 5.75 -1.45 0.48 115.11 123.77 3k8b h GLN 9 Ca 0.11 -0.26 0.02 0.00 -0.15 0.00 0.00 58.65 58.38 3k8b h GLN 9 Cb 0.36 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 3k8b h GLN 9 CO -0.29 0.93 0.06 -0.07 -2.65 0.00 0.00 178.83 176.81 3k8b h LEU 10 N 0.92 0.00 0.00 -2.39 3.38 -1.01 0.13 115.31 116.34 3k8b h LEU 10 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3k8b h LEU 10 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3k8b h LEU 10 CO 0.01 0.00 -0.63 -0.38 0.09 0.00 0.00 178.44 177.52 3k8b n ILE 11 N -4.37 1.43 -0.21 1.22 5.41 -0.66 -3.18 119.36 119.02 3k8b n ILE 11 Ca -0.01 0.19 -0.00 0.00 1.00 0.00 0.00 62.75 63.92 3k8b n ILE 11 Cb 0.17 -2.36 0.07 0.00 -0.71 0.00 0.00 39.64 36.81 3k8b n ILE 11 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3k8b h THR 12 N -1.00 0.40 -0.26 1.39 2.02 -0.08 0.25 112.91 115.63 3k8b h THR 12 Ca -0.03 -0.01 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 3k8b h THR 12 Cb 0.63 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3k8b h THR 12 CO -0.02 0.00 -0.08 1.23 0.37 0.00 0.00 175.52 177.02 3k8b h GLY 13 N 0.02 0.45 0.75 2.16 0.00 -0.92 -2.95 103.07 102.59 3k8b h GLY 13 Ca 0.30 -0.29 -0.27 0.00 0.00 0.00 0.00 47.33 47.07 3k8b h GLY 13 CO -0.61 0.27 -1.32 -2.00 0.00 0.00 0.00 176.54 172.87 3k8b h LEU 14 N 0.40 0.51 -0.79 3.11 7.12 -1.34 -3.33 115.31 120.98 3k8b h LEU 14 Ca 0.08 -0.90 0.11 0.00 0.13 0.00 0.00 57.88 57.30 3k8b h LEU 14 Cb 0.40 -0.17 -0.08 0.00 -0.53 0.00 0.00 40.66 40.28 3k8b h LEU 14 CO 0.02 1.60 0.42 -0.25 -0.13 0.00 0.00 178.44 180.10 3k8b h TRP 15 N -0.19 0.74 0.00 1.25 2.91 -0.56 -1.63 115.95 118.46 3k8b h TRP 15 Ca -0.26 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.79 3k8b h TRP 15 Cb 1.84 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 30.28 3k8b h TRP 15 CO 0.14 0.25 0.00 0.41 -1.03 0.00 0.00 178.44 178.21 3k8b n GLY 16 N -1.32 -0.25 0.00 2.65 0.00 -1.11 -1.96 105.19 103.20 3k8b n GLY 16 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3k8b n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k8b n LYS 17 N -0.73 4.72 -1.93 1.61 5.02 -0.63 -5.05 118.16 121.17 3k8b n LYS 17 Ca 0.03 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 3k8b n LYS 17 Cb 0.01 -0.41 -0.02 0.00 -0.02 0.00 0.00 35.03 34.59 3k8b n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3k8b s VAL 18 N -0.80 2.40 -0.82 -0.18 1.01 -0.83 -4.96 120.40 116.21 3k8b s VAL 18 Ca 0.00 0.35 -0.24 0.00 0.00 0.00 0.00 61.98 62.09 3k8b s VAL 18 Cb 0.00 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.21 3k8b s VAL 18 CO 0.00 0.07 1.25 0.21 0.00 0.00 0.00 175.10 176.63 3k8b s ASN 19 N 0.16 6.30 0.22 3.32 3.84 -1.26 -4.89 114.94 122.64 3k8b s ASN 19 Ca 0.57 -0.98 -0.08 0.00 0.21 0.00 0.00 52.86 52.59 3k8b s ASN 19 Cb -0.44 -2.52 0.28 0.00 -0.55 0.00 0.00 41.25 38.02 3k8b s ASN 19 CO 0.50 -1.60 1.82 0.58 -2.79 0.00 0.00 177.10 175.61 3k8b h VAL 20 N 6.21 0.99 0.64 -5.21 2.07 -1.94 0.81 116.25 119.82 3k8b h VAL 20 Ca -0.11 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3k8b h VAL 20 Cb 1.04 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3k8b h VAL 20 CO 1.29 0.15 -0.31 0.00 0.02 0.00 0.00 177.57 178.72 3k8b h ALA 21 N 1.37 -0.85 0.00 1.67 0.00 -1.90 -1.76 119.26 117.80 3k8b h ALA 21 Ca 0.33 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3k8b h ALA 21 Cb 0.19 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3k8b h ALA 21 CO -0.18 -0.92 -0.46 -0.44 0.00 0.00 0.00 179.25 177.25 3k8b h ASP 22 N -0.97 0.00 0.13 0.00 3.45 -1.92 -2.65 116.42 114.46 3k8b h ASP 22 Ca -0.09 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.22 3k8b h ASP 22 Cb 0.69 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.45 3k8b h ASP 22 CO 0.14 0.46 -0.54 0.00 -1.57 0.00 0.00 179.24 177.73 3k8b h GLY 24 N 1.19 0.56 0.37 0.00 0.00 -1.26 -2.82 103.07 101.12 3k8b h GLY 24 Ca 0.01 -1.44 0.10 0.00 0.00 0.00 0.00 47.33 46.00 3k8b h GLY 24 CO 0.10 1.26 0.27 0.00 0.00 0.00 0.00 176.54 178.16 3k8b h ALA 25 N 0.13 0.87 -0.07 3.60 0.00 -1.54 -1.08 119.26 121.17 3k8b h ALA 25 Ca -0.23 0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 3k8b h ALA 25 Cb 2.06 0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.89 3k8b h ALA 25 CO 0.25 -0.16 -0.88 0.93 0.00 0.00 0.00 179.25 179.39 3k8b h GLU 26 N 0.46 0.66 -0.09 0.00 5.08 -1.61 0.59 114.58 119.66 3k8b h GLU 26 Ca 0.33 -0.61 -0.12 0.00 -1.00 0.00 0.00 59.36 57.96 3k8b h GLU 26 Cb 0.41 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3k8b h GLU 26 CO -0.31 1.22 -0.49 0.00 -1.00 0.00 0.00 179.01 178.43 3k8b h ALA 27 N 0.59 1.01 0.08 3.43 0.00 -1.22 -0.76 119.26 122.39 3k8b h ALA 27 Ca -0.08 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 3k8b h ALA 27 Cb 1.51 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.22 3k8b h ALA 27 CO 0.17 0.64 -0.56 1.25 0.00 0.00 0.00 179.25 180.76 3k8b h LEU 28 N 0.19 0.35 -0.25 0.00 5.85 -1.26 -2.16 115.31 118.03 3k8b h LEU 28 Ca 0.01 -0.92 0.04 0.00 0.84 0.00 0.00 57.88 57.85 3k8b h LEU 28 Cb 0.93 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 3k8b h LEU 28 CO 0.07 1.24 -0.52 0.00 -0.34 0.00 0.00 178.44 178.90 3k8b h ALA 29 N 0.11 -0.76 -0.90 1.25 0.00 -0.75 -2.47 119.26 115.74 3k8b h ALA 29 Ca -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3k8b h ALA 29 Cb 1.40 1.00 -0.04 0.00 0.00 0.00 0.00 17.79 20.15 3k8b h ALA 29 CO 0.11 -1.03 0.52 0.00 0.00 0.00 0.00 179.25 178.84 3k8b h ARG 30 N -0.49 1.24 -1.00 0.00 3.08 -1.28 -0.66 114.38 115.28 3k8b h ARG 30 Ca 0.07 -0.13 0.28 0.00 0.07 0.00 0.00 59.98 60.26 3k8b h ARG 30 Cb 0.64 -0.25 -0.13 0.00 0.08 0.00 0.00 29.97 30.30 3k8b h ARG 30 CO -0.50 0.89 0.58 1.25 -1.07 0.00 0.00 179.97 181.13 3k8b h LEU 31 N 1.26 0.61 0.00 3.04 5.85 -1.12 0.38 115.31 125.33 3k8b h LEU 31 Ca 0.32 0.16 -0.07 0.00 0.84 0.00 0.00 57.88 59.13 3k8b h LEU 31 Cb -0.01 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3k8b h LEU 31 CO -0.06 0.01 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.56 3k8b h LEU 32 N 0.48 0.00 0.03 2.25 4.07 -0.71 -2.14 115.31 119.29 3k8b h LEU 32 Ca 0.68 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 58.30 3k8b h LEU 32 Cb 1.41 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.09 3k8b h LEU 32 CO -0.53 0.31 -2.06 -0.38 -1.08 0.00 0.00 178.44 174.70 3k8b n ILE 33 N -3.13 1.58 0.02 1.22 5.41 -0.37 -3.29 119.36 120.79 3k8b n ILE 33 Ca 0.02 -0.75 -0.03 0.00 1.00 0.00 0.00 62.75 62.98 3k8b n ILE 33 Cb 0.66 -1.10 -0.10 0.00 -0.71 0.00 0.00 39.64 38.39 3k8b n ILE 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3k8b h VAL 34 N 0.02 0.71 -2.35 1.39 2.07 -0.44 -3.39 116.25 114.26 3k8b h VAL 34 Ca -0.43 -2.35 -0.59 0.00 0.82 0.00 0.00 66.70 64.16 3k8b h VAL 34 Cb 2.06 2.24 -0.40 0.00 -1.52 0.00 0.00 31.29 33.67 3k8b h VAL 34 CO 0.04 0.41 -0.83 -1.22 0.02 0.00 0.00 177.57 175.99 3k8b n TYR 35 N -2.99 1.33 0.30 1.57 4.01 -0.81 -4.94 117.16 115.64 3k8b n TYR 35 Ca -0.11 -3.82 0.17 0.00 -0.16 0.00 0.00 57.90 53.98 3k8b n TYR 35 Cb 0.92 -0.33 0.99 0.00 -0.31 0.00 0.00 39.34 40.61 3k8b n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3k8b h PRO 36 N 4.68 0.00 -0.74 -0.72 0.11 -1.76 -0.99 132.00 132.59 3k8b h PRO 36 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.27 3k8b h PRO 36 Cb 0.80 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.87 3k8b h PRO 36 CO 0.60 0.00 0.45 0.11 -0.21 0.00 0.00 178.00 178.94 3k8b h TRP 37 N 0.00 0.96 0.00 0.65 0.09 -1.91 -2.35 115.95 113.39 3k8b h TRP 37 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.99 3k8b h TRP 37 Cb 0.05 -0.32 0.00 0.00 0.08 0.00 0.00 29.16 28.97 3k8b h TRP 37 CO 0.00 0.64 0.00 0.25 0.09 0.00 0.00 178.44 179.42 3k8b n THR 38 N -4.39 1.02 0.31 0.12 -2.24 -0.38 -2.20 114.28 106.53 3k8b n THR 38 Ca 0.08 0.59 0.16 0.00 -2.27 0.00 0.00 64.05 62.61 3k8b n THR 38 Cb 0.07 -1.57 0.73 0.00 -2.10 0.00 0.00 70.33 67.45 3k8b n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3k8b h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.59 -1.14 115.11 115.80 3k8b h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3k8b h GLN 39 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3k8b h GLN 39 CO 0.00 0.00 0.00 -2.13 -0.67 0.00 0.00 178.83 176.03 3k8b n ARG 40 N -2.77 0.31 0.00 1.46 0.63 -0.93 -0.94 116.66 114.42 3k8b n ARG 40 Ca 0.00 0.09 0.13 0.00 -0.92 0.00 0.00 57.85 57.15 3k8b n ARG 40 Cb 0.21 -1.50 0.29 0.00 0.45 0.00 0.00 32.46 31.91 3k8b n ARG 40 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3k8b n PHE 41 N -1.25 0.00 -2.60 -0.14 3.01 -0.43 -4.45 117.46 111.60 3k8b n PHE 41 Ca 0.10 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.56 3k8b n PHE 41 Cb 0.14 -0.07 0.05 0.00 -0.01 0.00 0.00 39.48 39.59 3k8b n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3k8b n PHE 42 N -0.28 0.86 0.32 1.38 3.01 -0.12 -4.78 117.46 117.85 3k8b n PHE 42 Ca 0.12 -1.53 0.13 0.00 1.01 0.00 0.00 57.45 57.18 3k8b n PHE 42 Cb 0.39 -0.21 0.57 0.00 -0.01 0.00 0.00 39.48 40.22 3k8b n PHE 42 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k8b h ALA 43 N 1.93 1.00 0.00 4.37 0.00 -1.76 -2.34 119.26 122.45 3k8b h ALA 43 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3k8b h ALA 43 Cb 1.50 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 3k8b h ALA 43 CO 0.19 0.00 -0.03 0.77 0.00 0.00 0.00 179.25 180.18 3k8b h SER 44 N 0.00 0.00 0.39 0.00 0.02 -1.91 -1.64 113.55 110.42 3k8b h SER 44 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3k8b h SER 44 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3k8b h SER 44 CO 0.00 0.03 -0.53 0.49 -1.14 0.00 0.00 176.83 175.68 3k8b n PHE 45 N -3.97 0.00 0.00 3.45 0.99 -0.88 -5.03 117.46 112.02 3k8b n PHE 45 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 3k8b n PHE 45 Cb 0.12 -0.20 0.00 0.00 -1.00 0.00 0.00 39.48 38.40 3k8b n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3k8b n GLY 46 N 1.48 1.81 3.60 1.37 0.00 -0.62 -4.77 105.19 108.06 3k8b n GLY 46 Ca 0.06 0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 3k8b n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3k8b s ASN 47 N -4.00 5.46 -0.09 1.61 3.84 -1.26 -4.66 114.94 115.84 3k8b s ASN 47 Ca 0.00 1.90 0.23 0.00 0.21 0.00 0.00 52.86 55.20 3k8b s ASN 47 Cb 0.00 -2.51 0.45 0.00 -0.55 0.00 0.00 41.25 38.64 3k8b s ASN 47 CO 0.00 -1.95 1.16 0.18 -2.79 0.00 0.00 177.10 173.70 3k8b n LEU 48 N 11.65 1.48 0.01 3.21 4.77 -1.26 -4.39 117.00 132.47 3k8b n LEU 48 Ca 0.30 -2.54 0.13 0.00 -0.03 0.00 0.00 56.01 53.86 3k8b n LEU 48 Cb 0.45 0.02 0.54 0.00 -2.33 0.00 0.00 43.42 42.09 3k8b n LEU 48 CO 0.66 0.78 0.91 -1.54 -1.33 0.00 0.00 177.39 176.87 3k8b n SER 49 N 0.03 0.10 -3.68 -1.43 3.41 -1.26 -4.80 113.62 105.99 3k8b n SER 49 Ca 0.09 0.51 -0.15 0.00 -0.26 0.00 0.00 58.87 59.07 3k8b n SER 49 Cb 1.02 -0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 64.35 3k8b n SER 49 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3k8b s SER 50 N -3.18 -0.36 0.58 4.04 1.04 -1.26 -5.01 113.70 109.54 3k8b s SER 50 Ca 0.12 0.35 0.35 0.00 0.48 0.00 0.00 55.95 57.26 3k8b s SER 50 Cb 0.16 0.43 1.39 0.00 0.10 0.00 0.00 66.02 68.10 3k8b s SER 50 CO 0.48 -0.48 1.61 1.55 0.98 0.00 0.00 173.24 177.38 3k8b h PRO 51 N 3.68 0.00 0.07 4.02 0.13 -1.98 0.74 132.00 138.66 3k8b h PRO 51 Ca -0.29 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.52 3k8b h PRO 51 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 3k8b h PRO 51 CO 0.38 0.00 -1.78 1.15 -0.23 0.00 0.00 178.00 177.53 3k8b h THR 52 N 0.00 0.82 -0.47 1.56 2.02 -1.97 -3.09 112.91 111.79 3k8b h THR 52 Ca 0.57 -2.59 -0.04 0.00 0.77 0.00 0.00 66.41 65.12 3k8b h THR 52 Cb 2.64 2.51 -0.02 0.00 -1.74 0.00 0.00 68.15 71.54 3k8b h THR 52 CO -0.01 0.70 0.14 0.00 0.37 0.00 0.00 175.52 176.73 3k8b h ALA 53 N 0.57 1.37 -0.25 6.16 0.00 -1.23 0.40 119.26 126.29 3k8b h ALA 53 Ca -0.33 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 3k8b h ALA 53 Cb 2.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 3k8b h ALA 53 CO 0.10 0.46 -0.47 0.82 0.00 0.00 0.00 179.25 180.15 3k8b h ILE 54 N 0.67 1.30 0.00 0.00 2.04 -1.48 1.00 117.51 121.04 3k8b h ILE 54 Ca 0.16 -1.68 -0.14 0.00 1.00 0.00 0.00 64.86 64.20 3k8b h ILE 54 Cb 0.21 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3k8b h ILE 54 CO -0.01 0.53 -0.68 -0.07 0.00 0.00 0.00 178.15 177.93 3k8b h LEU 55 N 0.52 0.00 0.00 1.44 4.07 -1.39 -3.27 115.31 116.69 3k8b h LEU 55 Ca 0.03 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.80 3k8b h LEU 55 Cb 1.02 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.73 3k8b h LEU 55 CO 0.10 0.68 -1.08 1.23 -1.08 0.00 0.00 178.44 178.28 3k8b h GLY 56 N 2.32 0.00 -5.35 0.83 0.00 0.05 -3.48 103.07 97.45 3k8b h GLY 56 Ca -0.01 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 3k8b h GLY 56 CO 0.09 0.00 1.05 -2.01 0.00 0.00 0.00 176.54 175.67 3k8b n ASN 57 N -3.16 3.62 -0.11 0.19 2.85 0.32 -4.91 115.26 114.06 3k8b n ASN 57 Ca -0.05 0.99 -0.11 0.00 -0.11 0.00 0.00 54.58 55.30 3k8b n ASN 57 Cb 0.88 -1.45 0.02 0.00 1.24 0.00 0.00 39.78 40.47 3k8b n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3k8b h PRO 58 N 8.51 0.87 -0.13 1.20 0.11 -1.91 -2.37 132.00 138.29 3k8b h PRO 58 Ca -0.47 -0.42 -0.12 0.00 0.11 0.00 0.00 66.00 65.09 3k8b h PRO 58 Cb 1.25 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3k8b h PRO 58 CO 0.93 1.07 -0.44 0.52 -0.21 0.00 0.00 178.00 179.88 3k8b h MET 59 N 0.73 0.31 -0.27 1.05 2.86 -1.93 0.33 114.93 118.02 3k8b h MET 59 Ca 0.07 -0.16 -0.19 0.00 -2.06 0.00 0.00 59.70 57.37 3k8b h MET 59 Cb 0.90 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.56 3k8b h MET 59 CO 0.08 0.69 -0.58 0.28 1.06 0.00 0.00 176.91 178.45 3k8b h VAL 60 N 0.25 1.27 -0.13 -2.22 2.07 -1.87 0.13 116.25 115.76 3k8b h VAL 60 Ca 0.02 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 3k8b h VAL 60 Cb 0.88 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 3k8b h VAL 60 CO 0.07 0.57 0.04 0.03 0.02 0.00 0.00 177.57 178.31 3k8b h ARG 61 N 0.65 0.20 -0.59 1.57 3.08 -1.28 -1.30 114.38 116.71 3k8b h ARG 61 Ca 0.01 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 3k8b h ARG 61 Cb 1.19 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 3k8b h ARG 61 CO 0.13 0.34 0.19 0.00 -1.07 0.00 0.00 179.97 179.55 3k8b h ALA 62 N 0.86 0.77 0.55 0.04 0.00 -0.34 -2.18 119.26 118.95 3k8b h ALA 62 Ca 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3k8b h ALA 62 Cb 0.22 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3k8b h ALA 62 CO -0.00 0.44 -0.26 1.25 0.00 0.00 0.00 179.25 180.67 3k8b h HIS 63 N 0.84 -0.69 -0.94 0.00 -0.00 -0.72 -2.51 115.15 111.14 3k8b h HIS 63 Ca 0.19 -0.02 0.28 0.00 -0.00 0.00 0.00 60.37 60.82 3k8b h HIS 63 Cb 0.28 0.23 -0.16 0.00 -0.00 0.00 0.00 27.41 27.76 3k8b h HIS 63 CO 0.02 -0.37 0.22 0.78 -0.00 0.00 0.00 177.93 178.58 3k8b h GLY 64 N -0.90 1.48 0.66 5.26 0.00 -1.15 0.47 103.07 108.89 3k8b h GLY 64 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.31 3k8b h GLY 64 CO 0.12 -0.49 0.22 1.70 0.00 0.00 0.00 176.54 178.09 3k8b h LYS 65 N 0.12 0.41 -0.56 4.80 3.64 -1.23 -0.01 116.57 123.74 3k8b h LYS 65 Ca 0.62 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.88 3k8b h LYS 65 Cb 1.34 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 3k8b h LYS 65 CO -0.76 0.27 -0.02 0.87 -2.27 0.00 0.00 179.45 177.54 3k8b h LYS 66 N 0.42 0.98 -0.13 1.90 1.57 0.22 -0.11 116.57 121.43 3k8b h LYS 66 Ca 0.22 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3k8b h LYS 66 Cb 0.17 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3k8b h LYS 66 CO -0.18 0.98 -0.02 0.28 -0.57 0.00 0.00 179.45 179.93 3k8b h VAL 67 N 0.90 1.28 -0.37 0.50 2.07 -0.22 -2.60 116.25 117.80 3k8b h VAL 67 Ca 0.16 -0.94 -0.14 0.00 0.82 0.00 0.00 66.70 66.60 3k8b h VAL 67 Cb 0.55 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 3k8b h VAL 67 CO 0.03 0.27 -0.31 0.25 0.02 0.00 0.00 177.57 177.83 3k8b h LEU 68 N -0.05 0.91 -1.90 2.57 6.46 -0.96 -1.43 115.31 120.90 3k8b h LEU 68 Ca 0.03 -0.45 0.27 0.00 -0.12 0.00 0.00 57.88 57.61 3k8b h LEU 68 Cb 0.43 -0.25 -0.05 0.00 -0.73 0.00 0.00 40.66 40.06 3k8b h LEU 68 CO 0.01 1.17 0.68 0.74 -0.62 0.00 0.00 178.44 180.42 3k8b h THR 69 N 0.66 0.54 0.29 1.05 2.02 -0.98 -1.07 112.91 115.42 3k8b h THR 69 Ca 0.06 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 3k8b h THR 69 Cb 0.90 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3k8b h THR 69 CO 0.08 0.01 -0.14 -1.28 0.37 0.00 0.00 175.52 174.56 3k8b h SER 70 N 0.07 -0.33 -1.55 4.18 0.87 -0.86 -2.66 113.55 113.27 3k8b h SER 70 Ca 0.47 -0.21 0.49 0.00 -1.23 0.00 0.00 61.79 61.31 3k8b h SER 70 Cb 1.74 0.08 -0.11 0.00 -0.44 0.00 0.00 62.40 63.68 3k8b h SER 70 CO -0.04 0.12 1.05 -0.26 -0.53 0.00 0.00 176.83 177.17 3k8b h PHE 71 N -0.87 0.31 -0.14 2.24 -1.00 -0.90 1.34 116.94 117.93 3k8b h PHE 71 Ca -0.04 0.01 -0.11 0.00 2.81 0.00 0.00 57.97 60.64 3k8b h PHE 71 Cb 0.52 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.99 3k8b h PHE 71 CO 0.04 -0.14 -0.41 0.78 -1.61 0.00 0.00 178.31 176.97 3k8b h GLY 72 N 0.03 0.34 2.00 -1.45 0.00 -1.02 -1.53 103.07 101.44 3k8b h GLY 72 Ca 0.86 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 3k8b h GLY 72 CO -0.27 0.30 -0.06 -0.55 0.00 0.00 0.00 176.54 175.96 3k8b h ASP 73 N 0.26 0.00 0.19 0.19 5.19 0.19 0.33 116.42 122.78 3k8b h ASP 73 Ca 0.02 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.12 3k8b h ASP 73 Cb 0.84 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.39 3k8b h ASP 73 CO 0.07 0.06 -1.33 0.00 -3.12 0.00 0.00 179.24 174.92 3k8b h ALA 74 N 1.94 -0.09 -0.29 3.45 0.00 -1.11 -2.28 119.26 120.88 3k8b h ALA 74 Ca -0.00 -0.81 -0.03 0.00 0.00 0.00 0.00 54.91 54.07 3k8b h ALA 74 Cb 0.26 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3k8b h ALA 74 CO 0.01 0.67 0.06 0.28 0.00 0.00 0.00 179.25 180.27 3k8b h VAL 75 N 0.17 1.22 -0.24 0.00 2.07 -0.54 -2.67 116.25 116.27 3k8b h VAL 75 Ca -0.22 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 66.62 3k8b h VAL 75 Cb 2.02 1.16 -0.07 0.00 -1.52 0.00 0.00 31.29 32.88 3k8b h VAL 75 CO 0.25 0.24 -0.22 0.11 0.02 0.00 0.00 177.57 177.97 3k8b h LYS 76 N 0.30 -0.22 -2.58 1.57 1.57 -0.47 -3.38 116.57 113.35 3k8b h LYS 76 Ca 0.09 0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 58.28 3k8b h LYS 76 Cb 0.30 0.05 -0.41 0.00 0.08 0.00 0.00 32.23 32.25 3k8b h LYS 76 CO 0.00 -0.15 -0.72 -1.71 -0.57 0.00 0.00 179.45 176.31 3k8b n ASN 77 N -5.37 2.22 0.15 0.86 4.05 -0.86 -4.93 115.26 111.40 3k8b n ASN 77 Ca -0.01 -3.06 0.01 0.00 0.45 0.00 0.00 54.58 51.98 3k8b n ASN 77 Cb 0.28 -0.68 0.22 0.00 1.23 0.00 0.00 39.78 40.83 3k8b n ASN 77 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3k8b h LEU 78 N 4.94 0.00 -1.07 1.20 3.38 -1.67 -2.57 115.31 119.53 3k8b h LEU 78 Ca 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3k8b h LEU 78 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3k8b h LEU 78 CO 0.65 0.53 -0.39 0.44 0.09 0.00 0.00 178.44 179.77 3k8b h ASP 79 N 0.00 0.15 -0.46 -0.43 3.32 -1.91 -3.35 116.42 113.75 3k8b h ASP 79 Ca -0.01 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3k8b h ASP 79 Cb 1.03 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3k8b h ASP 79 CO 0.07 0.53 0.00 -3.20 -1.72 0.00 0.00 179.24 174.92 3k8b n ASN 80 N -4.05 3.24 0.26 6.45 5.15 -1.03 -4.72 115.26 120.54 3k8b n ASN 80 Ca -0.02 -1.98 0.11 0.00 -0.60 0.00 0.00 54.58 52.09 3k8b n ASN 80 Cb 0.45 -0.31 0.58 0.00 -0.53 0.00 0.00 39.78 39.97 3k8b n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3k8b h ILE 81 N 2.84 0.00 -0.01 -1.44 2.04 -1.61 -1.56 117.51 117.77 3k8b h ILE 81 Ca 0.00 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.62 3k8b h ILE 81 Cb 0.81 0.47 0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3k8b h ILE 81 CO 0.00 0.00 -0.97 0.50 0.00 0.00 0.00 178.15 177.68 3k8b h LYS 82 N 0.00 0.54 0.18 2.37 3.64 -1.90 -3.21 116.57 118.19 3k8b h LYS 82 Ca 0.00 -0.57 -0.35 0.00 -1.27 0.00 0.00 60.65 58.46 3k8b h LYS 82 Cb 0.67 0.16 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3k8b h LYS 82 CO 0.00 1.19 -1.74 -0.91 -2.27 0.00 0.00 179.45 175.72 3k8b h ASN 83 N 0.31 0.60 -0.88 4.20 4.21 -1.68 -3.23 115.58 119.11 3k8b h ASN 83 Ca -0.10 -0.90 0.20 0.00 1.21 0.00 0.00 56.30 56.72 3k8b h ASN 83 Cb 1.61 -0.20 -0.06 0.00 -1.12 0.00 0.00 38.32 38.55 3k8b h ASN 83 CO 0.18 1.76 0.59 0.74 -1.29 0.00 0.00 177.43 179.41 3k8b h THR 84 N 0.10 0.68 -0.60 2.81 2.02 -1.62 -0.11 112.91 116.20 3k8b h THR 84 Ca -0.34 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3k8b h THR 84 Cb 2.10 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 3k8b h THR 84 CO 0.18 0.07 0.00 0.49 0.37 0.00 0.00 175.52 176.62 3k8b n PHE 85 N -4.49 0.80 -0.04 3.16 3.01 -1.21 -4.58 117.46 114.12 3k8b n PHE 85 Ca 0.19 -0.50 -0.15 0.00 1.01 0.00 0.00 57.45 58.00 3k8b n PHE 85 Cb 0.71 -0.01 -0.09 0.00 -0.01 0.00 0.00 39.48 40.08 3k8b n PHE 85 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3k8b h SER 86 N 3.48 0.49 -0.18 4.37 0.87 -1.02 0.69 113.55 122.25 3k8b h SER 86 Ca 0.00 -0.62 -0.04 0.00 -1.23 0.00 0.00 61.79 59.90 3k8b h SER 86 Cb 0.90 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 3k8b h SER 86 CO 0.00 1.02 0.01 1.56 -0.53 0.00 0.00 176.83 178.90 3k8b h GLN 87 N -0.02 0.43 0.01 2.24 4.20 -1.81 -0.60 115.11 119.56 3k8b h GLN 87 Ca -0.02 -0.08 -0.21 0.00 0.06 0.00 0.00 58.65 58.40 3k8b h GLN 87 Cb 0.99 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 3k8b h GLN 87 CO 0.08 0.45 -1.01 -0.07 -0.67 0.00 0.00 178.83 177.61 3k8b h LEU 88 N 0.42 0.02 0.46 1.46 3.38 -1.81 -2.94 115.31 116.31 3k8b h LEU 88 Ca 0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3k8b h LEU 88 Cb 0.26 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3k8b h LEU 88 CO 0.01 1.02 -0.44 -1.28 0.09 0.00 0.00 178.44 177.83 3k8b h SER 89 N 0.00 -1.20 -0.80 -0.43 0.87 0.78 -0.35 113.55 112.43 3k8b h SER 89 Ca -0.02 0.09 0.13 0.00 -1.23 0.00 0.00 61.79 60.77 3k8b h SER 89 Cb 1.77 0.39 -0.14 0.00 -0.44 0.00 0.00 62.40 63.99 3k8b h SER 89 CO 0.13 -0.59 -0.28 1.21 -0.53 0.00 0.00 176.83 176.78 3k8b n GLU 90 N -5.09 -0.15 0.18 2.24 0.00 -0.26 0.56 120.64 118.11 3k8b n GLU 90 Ca -0.11 1.23 -0.14 0.00 0.00 0.00 0.00 57.16 58.15 3k8b n GLU 90 Cb 0.41 -1.83 -0.08 0.00 0.00 0.00 0.00 31.44 29.94 3k8b n GLU 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3k8b h LEU 91 N 0.00 -0.39 -0.88 4.31 5.85 -1.29 0.33 115.31 123.24 3k8b h LEU 91 Ca 0.31 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 3k8b h LEU 91 Cb 0.51 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3k8b h LEU 91 CO -0.80 -0.05 -0.41 0.45 -0.34 0.00 0.00 178.44 177.29 3k8b h HIS 92 N -0.75 0.36 0.00 1.25 3.86 -0.52 0.17 115.15 119.52 3k8b h HIS 92 Ca -0.05 -0.10 -0.26 0.00 -1.16 0.00 0.00 60.37 58.81 3k8b h HIS 92 Cb 0.51 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 28.85 3k8b h HIS 92 CO 0.01 0.67 -1.71 0.00 0.86 0.00 0.00 177.93 177.77 3k8b n ASP 94 N -2.95 4.59 -0.01 0.00 10.43 0.09 -4.54 116.55 124.16 3k8b n ASP 94 Ca -0.16 -0.00 0.10 0.00 2.57 0.00 0.00 54.79 57.29 3k8b n ASP 94 Cb 0.99 0.43 -0.15 0.00 1.84 0.00 0.00 41.12 44.24 3k8b n ASP 94 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 3k8b n LYS 95 N -2.13 0.60 -0.00 -1.24 4.81 -0.75 -4.70 118.16 114.75 3k8b n LYS 95 Ca -0.02 -0.15 0.01 0.00 -0.87 0.00 0.00 58.31 57.28 3k8b n LYS 95 Cb 0.53 -1.47 -0.02 0.00 0.02 0.00 0.00 35.03 34.10 3k8b n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3k8b n LEU 96 N -2.06 0.01 -0.82 3.14 7.99 -0.03 -5.00 117.00 120.24 3k8b n LEU 96 Ca -0.02 -0.05 -0.11 0.00 -0.01 0.00 0.00 56.01 55.82 3k8b n LEU 96 Cb 0.48 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.75 3k8b n LEU 96 CO 0.42 0.00 -0.10 1.41 -1.51 0.00 0.00 177.39 177.61 3k8b n HIS 97 N -1.53 0.00 -1.63 -1.77 8.25 -1.15 -4.92 115.22 112.47 3k8b n HIS 97 Ca -0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.02 3k8b n HIS 97 Cb 0.06 -2.32 -0.03 0.00 1.12 0.00 0.00 29.99 28.82 3k8b n HIS 97 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3k8b n VAL 98 N -2.47 0.54 -1.81 1.59 0.31 -0.87 -4.90 118.33 110.73 3k8b n VAL 98 Ca -0.11 -0.28 -0.42 0.00 -0.01 0.00 0.00 64.34 63.52 3k8b n VAL 98 Cb 0.46 -2.35 -0.03 0.00 -0.91 0.00 0.00 33.84 31.01 3k8b n VAL 98 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3k8b s ASP 99 N 6.26 6.48 0.48 4.52 2.15 -1.26 -4.82 116.67 130.48 3k8b s ASP 99 Ca 0.96 2.71 0.14 0.00 0.43 0.00 0.00 52.55 56.78 3k8b s ASP 99 Cb -0.44 -2.58 1.13 0.00 -0.30 0.00 0.00 42.92 40.74 3k8b s ASP 99 CO 0.40 -0.93 2.10 -0.65 -0.17 0.00 0.00 175.17 175.92 3k8b h PRO 100 N 7.67 0.12 -1.17 4.34 0.11 -1.97 0.66 132.00 141.75 3k8b h PRO 100 Ca -0.44 -0.01 0.34 0.00 0.11 0.00 0.00 66.00 66.00 3k8b h PRO 100 Cb 1.21 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 3k8b h PRO 100 CO 0.94 0.11 1.00 1.49 -0.21 0.00 0.00 178.00 181.33 3k8b h GLU 101 N 0.12 0.00 0.00 1.05 4.57 -1.98 0.17 114.58 118.52 3k8b h GLU 101 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3k8b h GLU 101 Cb 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3k8b h GLU 101 CO -0.00 0.00 0.00 -0.91 -1.18 0.00 0.00 179.01 176.92 3k8b h ASN 102 N 0.00 0.00 1.45 1.04 4.21 -1.22 -2.63 115.58 118.43 3k8b h ASN 102 Ca 0.56 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 58.06 3k8b h ASN 102 Cb 2.56 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 39.75 3k8b h ASN 102 CO -0.01 0.00 -0.03 -0.26 -1.29 0.00 0.00 177.43 175.85 3k8b h PHE 103 N 0.00 0.00 0.21 1.19 0.04 -0.82 -1.39 116.94 116.16 3k8b h PHE 103 Ca 0.00 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.46 3k8b h PHE 103 Cb 0.92 0.00 0.04 0.00 2.20 0.00 0.00 35.95 39.10 3k8b h PHE 103 CO 0.00 0.03 -1.36 -0.09 -0.60 0.00 0.00 178.31 176.29 3k8b h ARG 104 N 0.00 0.56 -0.20 1.51 1.12 -1.54 -1.94 114.38 113.89 3k8b h ARG 104 Ca -0.00 -0.87 -0.13 0.00 -1.11 0.00 0.00 59.98 57.87 3k8b h ARG 104 Cb 0.76 0.31 -0.01 0.00 -0.01 0.00 0.00 29.97 31.02 3k8b h ARG 104 CO 0.00 1.41 -0.43 -0.07 -3.11 0.00 0.00 179.97 177.77 3k8b h LEU 105 N 0.15 0.52 0.06 3.80 3.38 -1.37 0.33 115.31 122.17 3k8b h LEU 105 Ca -0.23 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 3k8b h LEU 105 Cb 2.05 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.65 3k8b h LEU 105 CO 0.26 0.89 -0.03 0.25 0.09 0.00 0.00 178.44 179.89 3k8b h LEU 106 N 0.40 -0.07 -0.58 1.67 5.85 -1.33 -2.87 115.31 118.37 3k8b h LEU 106 Ca 0.03 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.51 3k8b h LEU 106 Cb 0.92 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 3k8b h LEU 106 CO 0.08 0.26 -0.44 1.23 -0.34 0.00 0.00 178.44 179.23 3k8b h GLY 107 N -0.40 -1.27 -0.42 3.75 0.00 -1.12 -1.27 103.07 102.35 3k8b h GLY 107 Ca -0.01 0.83 0.25 0.00 0.00 0.00 0.00 47.33 48.40 3k8b h GLY 107 CO 0.01 -0.23 0.32 -0.55 0.00 0.00 0.00 176.54 176.09 3k8b h ASP 108 N -0.12 0.15 -0.48 0.19 3.45 -0.99 -1.88 116.42 116.74 3k8b h ASP 108 Ca 0.09 0.19 -0.11 0.00 0.43 0.00 0.00 57.03 57.64 3k8b h ASP 108 Cb 0.37 0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.34 3k8b h ASP 108 CO -0.61 -0.12 -0.12 0.40 -1.57 0.00 0.00 179.24 177.22 3k8b h ILE 109 N 0.27 1.27 0.17 0.35 2.04 -1.04 -0.70 117.51 119.87 3k8b h ILE 109 Ca 0.59 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 65.21 3k8b h ILE 109 Cb 1.20 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 3k8b h ILE 109 CO -0.62 0.43 -0.29 0.25 0.00 0.00 0.00 178.15 177.91 3k8b h LEU 110 N 0.78 -0.83 -0.31 1.44 5.85 -0.50 0.28 115.31 122.02 3k8b h LEU 110 Ca 0.12 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.98 3k8b h LEU 110 Cb 0.67 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 3k8b h LEU 110 CO 0.05 -0.39 -0.50 0.40 -0.34 0.00 0.00 178.44 177.65 3k8b h ILE 111 N -0.54 0.05 -0.40 4.05 1.08 -0.72 2.43 117.51 123.45 3k8b h ILE 111 Ca 0.02 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.57 3k8b h ILE 111 Cb 0.55 0.05 -0.08 0.00 -3.07 0.00 0.00 36.82 34.27 3k8b h ILE 111 CO -0.14 0.00 -0.09 0.40 -0.69 0.00 0.00 178.15 177.63 3k8b h ILE 112 N -0.44 0.61 -0.65 -0.67 5.03 -0.85 1.12 117.51 121.66 3k8b h ILE 112 Ca 0.08 -0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.88 3k8b h ILE 112 Cb 0.62 0.60 -0.05 0.00 -3.03 0.00 0.00 36.82 34.95 3k8b h ILE 112 CO -0.53 0.00 0.36 0.58 -0.68 0.00 0.00 178.15 177.88 3k8b h VAL 113 N 0.01 0.97 -0.76 1.67 2.07 0.36 -0.22 116.25 120.35 3k8b h VAL 113 Ca 0.19 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 3k8b h VAL 113 Cb 0.29 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3k8b h VAL 113 CO -0.41 0.12 0.32 -0.07 0.02 0.00 0.00 177.57 177.55 3k8b h LEU 114 N 0.67 1.05 -0.01 2.57 3.38 0.66 -1.85 115.31 121.77 3k8b h LEU 114 Ca 0.29 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3k8b h LEU 114 Cb 0.18 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3k8b h LEU 114 CO -0.18 0.93 -0.31 0.00 0.09 0.00 0.00 178.44 178.97 3k8b h ALA 115 N 1.16 -0.44 -0.04 1.53 0.00 0.15 -2.84 119.26 118.78 3k8b h ALA 115 Ca 0.26 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3k8b h ALA 115 Cb 0.20 0.55 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3k8b h ALA 115 CO -0.02 -0.82 0.06 0.00 0.00 0.00 0.00 179.25 178.47 3k8b h ALA 116 N 0.29 1.47 0.00 0.00 0.00 -0.21 0.03 119.26 120.84 3k8b h ALA 116 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k8b h ALA 116 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3k8b h ALA 116 CO -0.27 -0.08 -1.07 0.72 0.00 0.00 0.00 179.25 178.55 3k8b n HIS 117 N -3.63 0.00 -0.01 0.00 -0.00 -1.01 -4.46 115.22 106.11 3k8b n HIS 117 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.72 57.71 3k8b n HIS 117 Cb 0.15 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.99 30.00 3k8b n HIS 117 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3k8b n PHE 118 N -1.59 0.00 -0.92 4.41 3.72 -0.84 -5.10 117.46 117.14 3k8b n PHE 118 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3k8b n PHE 118 Cb 0.32 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 3k8b n PHE 118 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3k8b n SER 119 N -1.88 -0.04 0.00 4.37 7.64 -0.06 -2.58 113.62 121.07 3k8b n SER 119 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 3k8b n SER 119 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 3k8b n SER 119 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3k8b n LYS 120 N 0.00 0.00 0.09 1.43 5.02 -1.26 0.11 118.16 123.54 3k8b n LYS 120 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 3k8b n LYS 120 Cb 0.00 -1.59 -0.12 0.00 -0.02 0.00 0.00 35.03 33.30 3k8b n LYS 120 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3k8b h ASP 121 N 0.00 0.26 -0.60 4.39 3.32 -1.89 -3.37 116.42 118.53 3k8b h ASP 121 Ca 0.00 -0.28 -0.44 0.00 0.02 0.00 0.00 57.03 56.33 3k8b h ASP 121 Cb 0.17 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 3k8b h ASP 121 CO 0.00 1.20 1.43 0.12 -1.72 0.00 0.00 179.24 180.27 3k8b s PHE 122 N -2.72 2.22 0.59 4.55 5.36 0.30 -4.92 117.98 123.35 3k8b s PHE 122 Ca -0.02 -0.20 -0.12 0.00 -0.96 0.00 0.00 56.93 55.63 3k8b s PHE 122 Cb 0.08 -4.25 -0.05 0.00 -0.34 0.00 0.00 43.02 38.47 3k8b s PHE 122 CO 0.86 -1.40 1.00 0.95 -1.46 0.00 0.00 175.22 175.16 3k8b s THR 123 N 8.83 4.69 0.33 0.12 -4.23 -1.26 -4.74 115.64 119.38 3k8b s THR 123 Ca 0.64 0.91 0.06 0.00 -1.18 0.00 0.00 61.69 62.11 3k8b s THR 123 Cb 0.01 -3.83 0.30 0.00 1.34 0.00 0.00 72.50 70.32 3k8b s THR 123 CO 0.11 -1.02 1.88 -0.65 -0.54 0.00 0.00 174.62 174.40 3k8b h PRO 124 N 0.01 0.80 -0.06 3.99 0.11 -1.93 0.33 132.00 135.24 3k8b h PRO 124 Ca -0.45 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3k8b h PRO 124 Cb 1.19 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 3k8b h PRO 124 CO 0.62 0.53 -0.18 0.93 -0.21 0.00 0.00 178.00 179.69 3k8b h GLU 125 N 0.82 -0.25 0.29 1.05 4.39 -1.98 -0.62 114.58 118.27 3k8b h GLU 125 Ca 0.44 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.16 3k8b h GLU 125 Cb 0.54 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 3k8b h GLU 125 CO -0.20 -0.17 -0.31 0.00 -1.16 0.00 0.00 179.01 177.17 3k8b h GLN 127 N -0.63 0.07 -0.34 0.00 4.15 -0.87 0.61 115.11 118.10 3k8b h GLN 127 Ca -0.01 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 3k8b h GLN 127 Cb 0.58 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 3k8b h GLN 127 CO -0.07 0.04 0.14 0.00 -1.93 0.00 0.00 178.83 177.01 3k8b h ALA 128 N 1.74 1.62 0.00 3.38 0.00 0.25 0.78 119.26 127.02 3k8b h ALA 128 Ca 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3k8b h ALA 128 Cb 0.71 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3k8b h ALA 128 CO -0.71 0.31 0.00 0.00 0.00 0.00 0.00 179.25 178.85 3k8b h ALA 129 N 1.69 1.00 0.00 0.00 0.00 0.16 -2.86 119.26 119.25 3k8b h ALA 129 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3k8b h ALA 129 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3k8b h ALA 129 CO -0.01 0.00 -1.40 0.91 0.00 0.00 0.00 179.25 178.74 3k8b n TRP 130 N -3.08 0.00 -0.54 0.00 7.02 -0.61 -2.84 117.44 117.40 3k8b n TRP 130 Ca 0.02 0.00 0.44 0.00 -1.02 0.00 0.00 57.50 56.94 3k8b n TRP 130 Cb 0.42 -0.60 0.68 0.00 -2.42 0.00 0.00 31.31 29.39 3k8b n TRP 130 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3k8b n GLN 131 N -4.27 0.00 0.06 -0.99 1.13 0.22 0.15 117.38 113.68 3k8b n GLN 131 Ca -0.25 1.03 -0.01 0.00 -1.94 0.00 0.00 57.00 55.83 3k8b n GLN 131 Cb 0.59 -2.44 -0.07 0.00 0.11 0.00 0.00 30.24 28.44 3k8b n GLN 131 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 3k8b h LYS 132 N 0.00 0.00 -0.42 -1.09 3.64 -1.57 0.20 116.57 117.34 3k8b h LYS 132 Ca 0.78 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 60.08 3k8b h LYS 132 Cb 3.42 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 35.22 3k8b h LYS 132 CO -0.01 0.46 -0.05 1.25 -2.27 0.00 0.00 179.45 178.83 3k8b h LEU 133 N 0.00 0.76 0.19 5.20 5.85 0.16 -1.69 115.31 125.79 3k8b h LEU 133 Ca -0.12 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 3k8b h LEU 133 Cb 1.61 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 3k8b h LEU 133 CO 0.07 0.92 -0.13 1.62 -0.34 0.00 0.00 178.44 180.57 3k8b h VAL 134 N 0.59 0.71 -0.80 1.05 3.04 0.94 0.24 116.25 122.02 3k8b h VAL 134 Ca 0.11 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 65.89 3k8b h VAL 134 Cb 0.56 0.71 -0.07 0.00 -2.01 0.00 0.00 31.29 30.48 3k8b h VAL 134 CO 0.03 0.00 0.46 0.03 -1.01 0.00 0.00 177.57 177.08 3k8b h ARG 135 N -0.33 0.76 -0.51 4.17 -0.00 -0.63 -0.83 114.38 117.02 3k8b h ARG 135 Ca -0.01 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.98 59.31 3k8b h ARG 135 Cb 0.28 -0.17 -0.02 0.00 0.00 0.00 0.00 29.97 30.06 3k8b h ARG 135 CO 0.00 0.50 -0.12 -0.39 0.00 0.00 0.00 179.97 179.97 3k8b h VAL 136 N 0.78 1.27 -0.04 2.04 -1.51 -1.00 -1.55 116.25 116.24 3k8b h VAL 136 Ca 0.38 -1.26 -0.00 0.00 -1.23 0.00 0.00 66.70 64.59 3k8b h VAL 136 Cb 0.32 1.00 -0.00 0.00 -2.13 0.00 0.00 31.29 30.47 3k8b h VAL 136 CO -0.23 0.44 0.02 0.58 -1.23 0.00 0.00 177.57 177.15 3k8b h VAL 137 N 0.85 1.05 0.00 7.19 2.07 -0.48 -0.71 116.25 126.22 3k8b h VAL 137 Ca 0.13 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 3k8b h VAL 137 Cb 0.66 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 3k8b h VAL 137 CO 0.05 0.04 -0.17 0.00 0.02 0.00 0.00 177.57 177.51 3k8b h ALA 138 N 0.97 1.39 0.07 1.67 0.00 -1.04 0.14 119.26 122.46 3k8b h ALA 138 Ca 0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3k8b h ALA 138 Cb 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3k8b h ALA 138 CO -0.00 0.21 -0.03 0.45 0.00 0.00 0.00 179.25 179.87 3k8b h HIS 139 N 0.00 -0.09 0.00 0.00 3.86 -0.71 -3.06 115.15 115.15 3k8b h HIS 139 Ca -0.00 -0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 3k8b h HIS 139 Cb 0.38 0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 3k8b h HIS 139 CO 0.00 0.20 -0.26 0.00 0.86 0.00 0.00 177.93 178.73 3k8b h ALA 140 N 0.52 0.99 -0.14 2.45 0.00 0.47 0.29 119.26 123.85 3k8b h ALA 140 Ca -0.01 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 3k8b h ALA 140 Cb 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3k8b h ALA 140 CO 0.02 0.33 -0.60 1.25 0.00 0.00 0.00 179.25 180.24 3k8b h LEU 141 N 0.00 0.52 -0.79 0.00 6.46 -1.17 -3.03 115.31 117.30 3k8b h LEU 141 Ca -0.00 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.46 3k8b h LEU 141 Cb 0.82 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 3k8b h LEU 141 CO 0.03 1.00 0.00 0.00 -0.62 0.00 0.00 178.44 178.85 3k8b n ALA 142 N -2.51 2.54 0.37 1.25 0.00 0.06 -4.29 120.51 117.94 3k8b n ALA 142 Ca -0.03 -0.41 0.12 0.00 0.00 0.00 0.00 53.44 53.12 3k8b n ALA 142 Cb 0.63 -1.14 0.52 0.00 0.00 0.00 0.00 19.45 19.46 3k8b n ALA 142 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3k8b h ARG 143 N 1.56 0.00 -0.00 0.00 0.11 -1.35 -1.60 114.38 113.10 3k8b h ARG 143 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3k8b h ARG 143 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 3k8b h ARG 143 CO 0.00 0.00 -0.16 1.17 0.10 0.00 0.00 179.97 181.08 3k8b n LYS 144 N -2.30 0.59 0.08 0.08 3.00 -1.26 -3.20 118.16 115.14 3k8b n LYS 144 Ca 0.02 -0.23 0.01 0.00 -0.00 0.00 0.00 58.31 58.11 3k8b n LYS 144 Cb 0.22 -1.50 -0.04 0.00 0.00 0.00 0.00 35.03 33.71 3k8b n LYS 144 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 3k8b h TYR 145 N 0.55 0.00 -0.00 5.64 0.05 -1.61 -3.47 116.97 118.13 3k8b h TYR 145 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3k8b h TYR 145 Cb 0.40 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.14 3k8b h TYR 145 CO 0.00 0.55 0.00 0.72 -1.05 0.00 0.00 178.16 178.38