#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k8b n LEU 2 N 0.00 -0.67 -4.97 7.52 4.32 -1.26 -4.99 117.00 116.95 3k8b n LEU 2 Ca 0.00 1.14 -0.26 0.00 -0.02 0.00 0.00 56.01 56.87 3k8b n LEU 2 Cb 0.00 -1.00 0.14 0.00 -1.62 0.00 0.00 43.42 40.94 3k8b n LEU 2 CO 0.00 -2.64 0.68 -0.94 -1.22 0.00 0.00 177.39 173.26 3k8b s SER 3 N -0.83 3.83 0.40 -1.43 1.04 -1.26 -4.93 113.70 110.52 3k8b s SER 3 Ca 0.66 -0.18 0.10 0.00 0.48 0.00 0.00 55.95 57.00 3k8b s SER 3 Cb -0.93 -0.04 0.83 0.00 0.10 0.00 0.00 66.02 65.99 3k8b s SER 3 CO 0.56 -2.23 1.96 0.00 0.98 0.00 0.00 173.24 174.51 3k8b h ALA 4 N -0.97 1.58 0.05 5.32 0.00 -2.00 -2.63 119.26 120.61 3k8b h ALA 4 Ca -0.39 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 3k8b h ALA 4 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3k8b h ALA 4 CO 0.38 0.31 -0.02 0.00 0.00 0.00 0.00 179.25 179.92 3k8b h ALA 5 N 1.69 -0.06 -0.83 0.00 0.00 -2.00 -3.08 119.26 114.97 3k8b h ALA 5 Ca 0.06 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 54.88 3k8b h ALA 5 Cb 0.27 0.02 -0.15 0.00 0.00 0.00 0.00 17.79 17.93 3k8b h ALA 5 CO 0.01 -0.25 -0.13 -0.44 0.00 0.00 0.00 179.25 178.45 3k8b h ASP 6 N -0.64 -0.63 0.31 0.00 5.19 -1.89 0.13 116.42 118.89 3k8b h ASP 6 Ca -0.01 0.24 -0.08 0.00 -0.62 0.00 0.00 57.03 56.57 3k8b h ASP 6 Cb 0.56 0.47 -0.01 0.00 0.18 0.00 0.00 39.33 40.53 3k8b h ASP 6 CO 0.01 -0.26 -0.34 0.11 -3.12 0.00 0.00 179.24 175.64 3k8b h LYS 7 N 0.03 0.05 0.11 3.56 1.57 -1.50 0.13 116.57 120.52 3k8b h LYS 7 Ca 0.42 -0.02 -0.28 0.00 -1.87 0.00 0.00 60.65 58.90 3k8b h LYS 7 Cb 0.71 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3k8b h LYS 7 CO -0.81 0.39 -1.34 -0.91 -0.57 0.00 0.00 179.45 176.21 3k8b h ASN 8 N 0.05 0.35 0.11 0.86 2.35 -0.95 -1.81 115.58 116.55 3k8b h ASN 8 Ca 0.00 -0.42 -0.07 0.00 -0.55 0.00 0.00 56.30 55.27 3k8b h ASN 8 Cb 0.63 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 3k8b h ASN 8 CO 0.05 1.34 -0.22 0.78 -1.65 0.00 0.00 177.43 177.72 3k8b h ASN 9 N 0.06 0.21 0.16 5.81 4.21 -0.53 -1.29 115.58 124.20 3k8b h ASN 9 Ca -0.17 -0.06 -0.25 0.00 1.21 0.00 0.00 56.30 57.04 3k8b h ASN 9 Cb 1.97 -0.06 0.03 0.00 -1.12 0.00 0.00 38.32 39.14 3k8b h ASN 9 CO 0.18 0.44 -1.08 0.58 -1.29 0.00 0.00 177.43 176.26 3k8b h VAL 10 N 0.20 1.40 0.00 2.81 2.07 -0.77 -3.23 116.25 118.73 3k8b h VAL 10 Ca 0.03 -2.54 -0.06 0.00 0.82 0.00 0.00 66.70 64.95 3k8b h VAL 10 Cb 0.51 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 3k8b h VAL 10 CO 0.03 0.74 -0.30 0.11 0.02 0.00 0.00 177.57 178.18 3k8b h LYS 11 N -0.08 0.00 0.61 1.57 1.57 -1.31 -2.68 116.57 116.24 3k8b h LYS 11 Ca -0.18 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 3k8b h LYS 11 Cb 1.83 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.14 3k8b h LYS 11 CO 0.20 0.30 -0.29 0.78 -0.57 0.00 0.00 179.45 179.87 3k8b h GLY 12 N 0.97 -0.85 2.00 3.86 0.00 -1.26 -1.88 103.07 105.92 3k8b h GLY 12 Ca -0.00 0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.54 3k8b h GLY 12 CO 0.04 -0.31 -0.48 1.19 0.00 0.00 0.00 176.54 176.98 3k8b h ILE 13 N -0.99 1.24 0.00 2.60 6.09 -1.63 -2.68 117.51 122.13 3k8b h ILE 13 Ca -0.08 -1.72 -0.11 0.00 -1.37 0.00 0.00 64.86 61.58 3k8b h ILE 13 Cb 0.67 1.96 -0.02 0.00 0.47 0.00 0.00 36.82 39.90 3k8b h ILE 13 CO 0.14 0.47 -0.51 -0.26 -3.07 0.00 0.00 178.15 174.92 3k8b h PHE 14 N 0.00 0.00 0.00 2.19 0.04 -1.51 0.10 116.94 117.77 3k8b h PHE 14 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3k8b h PHE 14 Cb 0.92 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.07 3k8b h PHE 14 CO 0.00 0.51 -0.10 1.15 -0.60 0.00 0.00 178.31 179.27 3k8b h THR 15 N 0.00 0.20 0.00 -1.55 2.02 -1.01 0.77 112.91 113.34 3k8b h THR 15 Ca -0.01 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.21 3k8b h THR 15 Cb 1.09 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 3k8b h THR 15 CO 0.07 0.09 -0.45 0.29 0.37 0.00 0.00 175.52 175.89 3k8b n LYS 16 N -3.17 0.27 0.07 6.66 5.02 -0.85 -4.14 118.16 122.03 3k8b n LYS 16 Ca 0.02 0.12 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 3k8b n LYS 16 Cb 0.45 -1.71 -0.15 0.00 -0.02 0.00 0.00 35.03 33.60 3k8b n LYS 16 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3k8b h ILE 17 N 0.00 1.26 -3.92 -0.18 2.04 0.73 -3.45 117.51 114.00 3k8b h ILE 17 Ca 0.00 -2.55 -0.55 0.00 1.00 0.00 0.00 64.86 62.76 3k8b h ILE 17 Cb 0.73 2.99 0.14 0.00 -0.74 0.00 0.00 36.82 39.94 3k8b h ILE 17 CO 0.00 0.76 0.57 0.00 0.00 0.00 0.00 178.15 179.48 3k8b n ALA 18 N -2.78 1.51 0.00 1.87 0.00 0.11 -2.03 120.51 119.20 3k8b n ALA 18 Ca -0.19 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3k8b n ALA 18 Cb 0.96 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3k8b n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k8b n GLY 19 N 0.78 2.12 0.21 0.00 0.00 -1.26 -4.75 105.19 102.29 3k8b n GLY 19 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 3k8b n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3k8b n HIS 20 N -2.00 0.00 -0.22 1.61 8.25 -0.86 -4.93 115.22 117.07 3k8b n HIS 20 Ca 0.00 -0.35 0.03 0.00 -0.26 0.00 0.00 57.72 57.13 3k8b n HIS 20 Cb 0.00 -0.07 0.14 0.00 1.12 0.00 0.00 29.99 31.18 3k8b n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k8b h ALA 21 N 0.00 0.81 -0.19 -1.41 0.00 -1.83 -0.95 119.26 115.68 3k8b h ALA 21 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3k8b h ALA 21 Cb 1.08 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3k8b h ALA 21 CO 0.00 -0.31 0.00 1.49 0.00 0.00 0.00 179.25 180.43 3k8b h GLU 22 N 0.27 0.33 0.00 0.00 4.81 -1.86 -1.46 114.58 116.67 3k8b h GLU 22 Ca 0.35 -0.10 -0.18 0.00 -0.13 0.00 0.00 59.36 59.30 3k8b h GLU 22 Cb 0.56 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3k8b h GLU 22 CO -0.44 0.53 -0.84 1.05 -0.73 0.00 0.00 179.01 178.58 3k8b h GLU 23 N 0.09 0.09 0.44 1.92 4.11 -1.84 -2.55 114.58 116.83 3k8b h GLU 23 Ca 0.05 -0.09 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 3k8b h GLU 23 Cb 0.38 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3k8b h GLU 23 CO 0.01 0.87 -0.21 1.88 0.07 0.00 0.00 179.01 181.63 3k8b h TYR 24 N 0.05 -0.55 0.00 2.06 0.99 -1.21 -1.83 116.97 116.48 3k8b h TYR 24 Ca -0.02 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.69 3k8b h TYR 24 Cb 1.46 0.18 0.00 0.00 1.00 0.00 0.00 36.73 39.37 3k8b h TYR 24 CO 0.01 -0.34 0.00 0.41 -0.00 0.00 0.00 178.16 178.24 3k8b n GLY 25 N 0.19 -0.46 0.10 3.88 0.00 -0.55 -0.50 105.19 107.85 3k8b n GLY 25 Ca -0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 3k8b n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k8b n ALA 26 N -1.35 1.48 -0.04 4.61 0.00 -0.96 -3.80 120.51 120.44 3k8b n ALA 26 Ca 0.01 -1.24 -0.12 0.00 0.00 0.00 0.00 53.44 52.09 3k8b n ALA 26 Cb 0.03 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 3k8b n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3k8b h GLU 27 N 0.00 0.25 0.00 0.00 4.81 0.03 -2.73 114.58 116.95 3k8b h GLU 27 Ca -0.53 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 58.62 3k8b h GLU 27 Cb 2.17 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 31.53 3k8b h GLU 27 CO 0.02 0.50 -0.00 1.79 -0.73 0.00 0.00 179.01 180.59 3k8b h THR 28 N -0.03 0.25 0.18 0.32 1.35 -0.96 -2.54 112.91 111.48 3k8b h THR 28 Ca 0.04 -0.01 -0.35 0.00 -0.55 0.00 0.00 66.41 65.54 3k8b h THR 28 Cb 0.39 1.01 0.01 0.00 -1.73 0.00 0.00 68.15 67.83 3k8b h THR 28 CO 0.01 0.00 -1.76 -0.07 -0.25 0.00 0.00 175.52 173.45 3k8b h LEU 29 N 0.00 0.59 0.45 3.87 3.38 -1.63 -3.00 115.31 118.97 3k8b h LEU 29 Ca -0.00 -0.94 -0.02 0.00 0.09 0.00 0.00 57.88 57.01 3k8b h LEU 29 Cb 0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3k8b h LEU 29 CO 0.00 1.79 -0.21 -0.33 0.09 0.00 0.00 178.44 179.78 3k8b h GLU 30 N 0.08 -0.58 -1.28 1.13 5.08 -1.16 -0.53 114.58 117.31 3k8b h GLU 30 Ca -0.35 0.04 0.45 0.00 -1.00 0.00 0.00 59.36 58.49 3k8b h GLU 30 Cb 2.08 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 31.32 3k8b h GLU 30 CO 0.16 -0.39 0.81 0.00 -1.00 0.00 0.00 179.01 178.59 3k8b h ARG 31 N -0.86 0.05 0.81 2.33 3.08 -1.67 0.69 114.38 118.81 3k8b h ARG 31 Ca -0.06 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3k8b h ARG 31 Cb 0.46 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.51 3k8b h ARG 31 CO 0.10 0.03 -0.39 1.98 -1.07 0.00 0.00 179.97 180.62 3k8b h MET 32 N 0.05 -1.05 0.00 0.04 4.05 -1.35 0.12 114.93 116.79 3k8b h MET 32 Ca 0.85 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 60.34 3k8b h MET 32 Cb 2.60 0.24 0.00 0.00 -0.80 0.00 0.00 31.60 33.63 3k8b h MET 32 CO -0.50 -0.69 0.00 1.19 0.23 0.00 0.00 176.91 177.13 3k8b n PHE 33 N -5.55 0.00 -0.03 1.39 3.72 0.22 -0.77 117.46 116.44 3k8b n PHE 33 Ca -0.15 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.21 3k8b n PHE 33 Cb 0.44 -0.47 -0.04 0.00 -0.94 0.00 0.00 39.48 38.47 3k8b n PHE 33 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 3k8b n ILE 34 N -1.47 0.42 1.49 4.37 0.00 0.20 -3.91 119.36 120.46 3k8b n ILE 34 Ca 0.02 -0.21 0.14 0.00 0.00 0.00 0.00 62.75 62.70 3k8b n ILE 34 Cb 0.09 -0.81 0.58 0.00 0.00 0.00 0.00 39.64 39.50 3k8b n ILE 34 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3k8b n THR 35 N -2.46 0.00 -2.78 9.51 -2.24 0.40 -4.44 114.28 112.27 3k8b n THR 35 Ca -0.11 -0.14 -0.08 0.00 -2.27 0.00 0.00 64.05 61.45 3k8b n THR 35 Cb 0.67 0.17 0.03 0.00 -2.10 0.00 0.00 70.33 69.09 3k8b n THR 35 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3k8b n TYR 36 N -0.48 -3.37 0.15 4.78 0.53 0.05 -5.03 117.16 113.78 3k8b n TYR 36 Ca 0.17 -1.71 0.01 0.00 -1.02 0.00 0.00 57.90 55.34 3k8b n TYR 36 Cb 0.30 1.45 0.23 0.00 -1.03 0.00 0.00 39.34 40.28 3k8b n TYR 36 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 3k8b h PRO 37 N 4.38 0.00 0.00 -0.72 0.13 -1.74 -1.40 132.00 132.64 3k8b h PRO 37 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3k8b h PRO 37 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3k8b h PRO 37 CO 0.23 0.54 0.00 -1.00 -0.23 0.00 0.00 178.00 177.54 3k8b h PRO 38 N 0.00 0.00 0.00 1.56 0.13 -1.92 -2.26 132.00 129.50 3k8b h PRO 38 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3k8b h PRO 38 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3k8b h PRO 38 CO 0.07 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.09 3k8b n THR 39 N -2.76 0.50 0.88 1.56 -2.24 -0.53 -2.31 114.28 109.37 3k8b n THR 39 Ca -0.00 0.12 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 3k8b n THR 39 Cb 0.18 -0.83 0.55 0.00 -2.10 0.00 0.00 70.33 68.12 3k8b n THR 39 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3k8b n LYS 40 N -1.30 0.02 0.11 -0.78 5.02 -0.85 -3.54 118.16 116.84 3k8b n LYS 40 Ca 0.08 0.07 0.18 0.00 -2.02 0.00 0.00 58.31 56.61 3k8b n LYS 40 Cb 0.15 -1.52 0.74 0.00 -0.02 0.00 0.00 35.03 34.37 3k8b n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3k8b h THR 41 N 0.00 0.63 -0.02 -0.18 1.35 -1.68 -2.43 112.91 110.59 3k8b h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3k8b h THR 41 Cb 0.47 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 3k8b h THR 41 CO 0.00 0.00 -0.21 -1.22 -0.25 0.00 0.00 175.52 173.84 3k8b n TYR 42 N -4.12 0.00 -2.31 4.73 4.01 -1.23 -4.12 117.16 114.12 3k8b n TYR 42 Ca 0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.57 3k8b n TYR 42 Cb 0.45 -0.03 0.02 0.00 -0.31 0.00 0.00 39.34 39.47 3k8b n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3k8b n PHE 43 N 0.23 2.78 0.47 -0.72 3.01 -0.91 -4.86 117.46 117.46 3k8b n PHE 43 Ca 0.13 -2.61 0.12 0.00 1.01 0.00 0.00 57.45 56.11 3k8b n PHE 43 Cb 0.45 -0.23 0.47 0.00 -0.01 0.00 0.00 39.48 40.16 3k8b n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3k8b n PRO 44 N -0.57 0.23 -0.13 -1.08 -0.04 -1.25 -1.45 135.00 130.72 3k8b n PRO 44 Ca 0.37 0.36 0.10 0.00 -0.04 0.00 0.00 63.50 64.29 3k8b n PRO 44 Cb 0.82 -1.87 0.30 0.00 -0.04 0.00 0.00 33.50 32.72 3k8b n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 3k8b n HIS 45 N -2.29 0.34 -4.22 0.54 1.44 -1.26 -4.93 115.22 104.84 3k8b n HIS 45 Ca 0.03 -0.17 -0.34 0.00 -2.01 0.00 0.00 57.72 55.23 3k8b n HIS 45 Cb 0.31 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.33 3k8b n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3k8b s PHE 46 N -1.66 3.21 -0.35 -1.40 2.99 -0.53 -5.07 117.98 115.18 3k8b s PHE 46 Ca 0.33 0.20 -0.28 0.00 0.00 0.00 0.00 56.93 57.18 3k8b s PHE 46 Cb 0.19 -1.75 0.02 0.00 0.00 0.00 0.00 43.02 41.47 3k8b s PHE 46 CO 0.27 0.52 1.04 0.34 -0.00 0.00 0.00 175.22 177.38 3k8b s ASP 47 N -1.33 6.82 -0.52 1.36 3.68 -1.26 -4.91 116.67 120.50 3k8b s ASP 47 Ca 0.18 0.84 0.02 0.00 2.13 0.00 0.00 52.55 55.72 3k8b s ASP 47 Cb -0.12 -2.52 0.47 0.00 -1.45 0.00 0.00 42.92 39.30 3k8b s ASP 47 CO 0.08 -0.92 1.74 0.18 0.13 0.00 0.00 175.17 176.38 3k8b n LEU 48 N 6.97 6.59 -4.81 -1.34 4.77 -1.26 -4.60 117.00 123.32 3k8b n LEU 48 Ca 0.11 -4.35 -0.29 0.00 -0.03 0.00 0.00 56.01 51.44 3k8b n LEU 48 Cb 0.48 -0.76 0.15 0.00 -2.33 0.00 0.00 43.42 40.96 3k8b n LEU 48 CO 0.60 1.62 0.75 -0.44 -1.33 0.00 0.00 177.39 178.60 3k8b s SER 49 N -2.37 3.22 0.23 -1.43 0.01 -1.26 -4.98 113.70 107.11 3k8b s SER 49 Ca 0.59 0.71 -0.30 0.00 1.31 0.00 0.00 55.95 58.26 3k8b s SER 49 Cb 0.47 -1.10 -0.10 0.00 0.21 0.00 0.00 66.02 65.51 3k8b s SER 49 CO 0.01 -2.71 1.42 -2.28 0.41 0.00 0.00 173.24 170.10 3k8b s HIS 50 N -3.44 3.08 -1.70 2.43 2.46 -1.26 -3.53 115.29 113.33 3k8b s HIS 50 Ca 0.67 1.03 -0.19 0.00 0.47 0.00 0.00 55.06 57.04 3k8b s HIS 50 Cb -0.11 -3.78 0.16 0.00 -0.13 0.00 0.00 32.58 28.72 3k8b s HIS 50 CO 0.53 -2.56 0.80 0.41 -2.47 0.00 0.00 174.74 171.45 3k8b n GLY 51 N 2.41 -0.45 3.78 1.59 0.00 -1.26 -4.95 105.19 106.31 3k8b n GLY 51 Ca 0.07 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3k8b n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k8b s SER 52 N -3.27 5.05 0.45 1.61 1.04 -1.23 -4.88 113.70 112.47 3k8b s SER 52 Ca 0.75 1.85 0.19 0.00 0.48 0.00 0.00 55.95 59.22 3k8b s SER 52 Cb -0.41 -2.53 1.07 0.00 0.10 0.00 0.00 66.02 64.25 3k8b s SER 52 CO 0.92 -1.67 1.96 0.00 0.98 0.00 0.00 173.24 175.43 3k8b h ALA 53 N -0.42 1.41 -0.01 5.32 0.00 -1.92 -1.92 119.26 121.72 3k8b h ALA 53 Ca -0.45 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 3k8b h ALA 53 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3k8b h ALA 53 CO 0.54 0.28 -0.14 1.96 0.00 0.00 0.00 179.25 181.88 3k8b h GLN 54 N 0.00 0.11 -0.71 0.00 4.20 -1.92 0.15 115.11 116.94 3k8b h GLN 54 Ca -0.00 -0.11 0.10 0.00 0.06 0.00 0.00 58.65 58.70 3k8b h GLN 54 Cb 0.45 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.19 3k8b h GLN 54 CO 0.03 0.84 0.34 0.82 -0.67 0.00 0.00 178.83 180.19 3k8b h ILE 55 N -0.57 0.82 -0.39 2.54 2.04 -1.78 0.59 117.51 120.76 3k8b h ILE 55 Ca -0.02 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.54 3k8b h ILE 55 Cb 0.88 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3k8b h ILE 55 CO 0.03 0.10 -0.20 0.11 0.00 0.00 0.00 178.15 178.19 3k8b h LYS 56 N 0.57 0.76 0.00 2.37 1.57 -1.37 0.14 116.57 120.60 3k8b h LYS 56 Ca 0.36 -0.29 -0.21 0.00 -1.87 0.00 0.00 60.65 58.63 3k8b h LYS 56 Cb 0.40 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 3k8b h LYS 56 CO -0.29 0.90 -1.05 0.78 -0.57 0.00 0.00 179.45 179.22 3k8b h GLY 57 N 0.97 0.00 0.67 3.86 0.00 -0.20 -2.33 103.07 106.04 3k8b h GLY 57 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.27 3k8b h GLY 57 CO 0.05 0.00 -0.67 0.84 0.00 0.00 0.00 176.54 176.76 3k8b h HIS 58 N 0.00 0.52 -0.97 5.60 -0.00 0.15 -3.14 115.15 117.30 3k8b h HIS 58 Ca -0.04 -0.34 0.17 0.00 -0.00 0.00 0.00 60.37 60.16 3k8b h HIS 58 Cb 1.77 -0.04 -0.10 0.00 -0.00 0.00 0.00 27.41 29.05 3k8b h HIS 58 CO 0.00 1.22 0.58 0.78 -0.00 0.00 0.00 177.93 180.51 3k8b h GLY 59 N -0.33 1.68 0.94 5.26 0.00 -0.79 -0.51 103.07 109.33 3k8b h GLY 59 Ca -0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3k8b h GLY 59 CO 0.13 -0.02 -0.16 1.70 0.00 0.00 0.00 176.54 178.19 3k8b h LYS 60 N 0.78 -0.41 -0.31 4.80 3.64 -1.48 -2.93 116.57 120.66 3k8b h LYS 60 Ca 0.54 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.99 3k8b h LYS 60 Cb 0.77 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 3k8b h LYS 60 CO -0.36 -0.27 0.08 0.87 -2.27 0.00 0.00 179.45 177.50 3k8b h LYS 61 N -0.42 0.20 0.31 1.90 1.79 -1.28 -0.49 116.57 118.58 3k8b h LYS 61 Ca -0.03 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 3k8b h LYS 61 Cb 0.34 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 3k8b h LYS 61 CO 0.04 0.13 -0.47 0.28 -1.08 0.00 0.00 179.45 178.35 3k8b h VAL 62 N 0.20 0.08 0.00 0.50 2.07 -1.19 0.33 116.25 118.24 3k8b h VAL 62 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 3k8b h VAL 62 Cb 0.14 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3k8b h VAL 62 CO -0.17 0.00 -0.03 0.58 0.02 0.00 0.00 177.57 177.97 3k8b h VAL 63 N -0.83 0.08 0.12 2.57 2.07 -1.42 0.93 116.25 119.76 3k8b h VAL 63 Ca -0.02 -0.48 -0.28 0.00 0.82 0.00 0.00 66.70 66.74 3k8b h VAL 63 Cb 0.78 1.44 0.02 0.00 -1.52 0.00 0.00 31.29 32.00 3k8b h VAL 63 CO -0.15 0.03 -1.21 0.00 0.02 0.00 0.00 177.57 176.25 3k8b h ALA 64 N 1.97 0.10 -0.63 1.67 0.00 -0.58 -1.77 119.26 120.02 3k8b h ALA 64 Ca -0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 54.91 54.02 3k8b h ALA 64 Cb 0.44 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3k8b h ALA 64 CO 0.00 0.83 0.09 0.00 0.00 0.00 0.00 179.25 180.17 3k8b h ALA 65 N 0.49 0.96 -0.40 0.00 0.00 0.26 -1.12 119.26 119.45 3k8b h ALA 65 Ca -0.15 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.51 3k8b h ALA 65 Cb 1.90 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 3k8b h ALA 65 CO 0.21 0.65 0.22 -0.07 0.00 0.00 0.00 179.25 180.26 3k8b h LEU 66 N 0.98 0.34 -0.55 0.00 3.38 -0.78 -0.73 115.31 117.94 3k8b h LEU 66 Ca 0.19 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 3k8b h LEU 66 Cb 0.44 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3k8b h LEU 66 CO 0.01 0.24 -0.47 0.16 0.09 0.00 0.00 178.44 178.48 3k8b h ILE 67 N 0.44 0.95 -0.22 1.22 3.07 -1.22 0.38 117.51 122.13 3k8b h ILE 67 Ca 0.16 -1.91 -0.12 0.00 1.55 0.00 0.00 64.86 64.54 3k8b h ILE 67 Cb 0.04 2.17 -0.01 0.00 -0.27 0.00 0.00 36.82 38.75 3k8b h ILE 67 CO -0.10 0.46 -0.39 -0.08 -1.05 0.00 0.00 178.15 177.00 3k8b h GLU 68 N 0.00 0.50 0.10 0.16 4.81 -1.03 -1.98 114.58 117.14 3k8b h GLU 68 Ca -0.00 -0.24 -0.26 0.00 -0.13 0.00 0.00 59.36 58.72 3k8b h GLU 68 Cb 1.13 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3k8b h GLU 68 CO 0.06 0.81 -1.16 0.00 -0.73 0.00 0.00 179.01 177.98 3k8b h ALA 69 N 1.17 0.17 -0.84 2.92 0.00 -0.88 -2.59 119.26 119.21 3k8b h ALA 69 Ca 0.04 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 3k8b h ALA 69 Cb 0.86 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3k8b h ALA 69 CO 0.07 0.95 0.50 0.00 0.00 0.00 0.00 179.25 180.78 3k8b h ALA 70 N 0.65 1.08 0.48 0.00 0.00 -0.10 -3.06 119.26 118.30 3k8b h ALA 70 Ca -0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3k8b h ALA 70 Cb 1.87 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3k8b h ALA 70 CO 0.19 0.55 -0.23 -0.91 0.00 0.00 0.00 179.25 178.85 3k8b h ASN 71 N 1.16 -0.54 0.00 0.00 2.35 -1.41 -3.34 115.58 113.80 3k8b h ASN 71 Ca 0.30 -0.01 -0.70 0.00 -0.55 0.00 0.00 56.30 55.34 3k8b h ASN 71 Cb -0.03 0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3k8b h ASN 71 CO -0.06 -0.12 3.06 1.41 -1.65 0.00 0.00 177.43 180.07 3k8b n HIS 72 N -5.20 3.30 0.71 1.19 8.25 -0.98 -4.60 115.22 117.89 3k8b n HIS 72 Ca -0.08 -2.84 0.11 0.00 -0.26 0.00 0.00 57.72 54.64 3k8b n HIS 72 Cb 0.27 -2.45 -0.03 0.00 1.12 0.00 0.00 29.99 28.90 3k8b n HIS 72 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 3k8b n ILE 73 N 5.16 0.07 0.37 1.59 3.06 -1.16 -3.47 119.36 124.98 3k8b n ILE 73 Ca 0.52 -0.16 0.12 0.00 -2.50 0.00 0.00 62.75 60.74 3k8b n ILE 73 Cb 0.39 0.47 0.27 0.00 0.54 0.00 0.00 39.64 41.31 3k8b n ILE 73 CO 0.00 0.00 0.00 0.44 -2.50 0.00 0.00 176.55 174.49 3k8b h ASP 74 N 0.00 0.00 -0.50 9.51 3.32 -1.86 -3.39 116.42 123.49 3k8b h ASP 74 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 3k8b h ASP 74 Cb 0.65 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.88 3k8b h ASP 74 CO 0.00 0.00 -0.91 -0.67 -1.72 0.00 0.00 179.24 175.94 3k8b n ASP 75 N -2.78 0.54 -0.26 6.45 2.03 -1.23 -4.95 116.55 116.36 3k8b n ASP 75 Ca 0.04 -2.36 0.00 0.00 0.52 0.00 0.00 54.79 53.00 3k8b n ASP 75 Cb 0.49 -0.10 0.13 0.00 -0.72 0.00 0.00 41.12 40.92 3k8b n ASP 75 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3k8b h ILE 76 N 3.89 0.94 -0.83 5.18 2.04 -1.77 2.22 117.51 129.18 3k8b h ILE 76 Ca -0.19 -0.25 0.18 0.00 1.00 0.00 0.00 64.86 65.60 3k8b h ILE 76 Cb 1.25 0.14 -0.11 0.00 -0.74 0.00 0.00 36.82 37.36 3k8b h ILE 76 CO 0.20 0.13 0.34 0.00 0.00 0.00 0.00 178.15 178.82 3k8b h ALA 77 N 1.40 1.24 0.00 1.87 0.00 -1.92 -0.65 119.26 121.20 3k8b h ALA 77 Ca 0.34 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 55.22 3k8b h ALA 77 Cb 0.26 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3k8b h ALA 77 CO -0.21 -0.27 -0.81 0.78 0.00 0.00 0.00 179.25 178.73 3k8b h GLY 78 N 0.42 0.05 1.78 0.00 0.00 0.33 -3.00 103.07 102.64 3k8b h GLY 78 Ca 0.49 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.69 3k8b h GLY 78 CO -0.48 0.07 -0.43 0.00 0.00 0.00 0.00 176.54 175.71 3k8b h THR 79 N 0.02 0.34 -0.13 4.70 1.03 -0.63 -3.35 112.91 114.90 3k8b h THR 79 Ca -0.02 -1.50 -0.05 0.00 -0.01 0.00 0.00 66.41 64.83 3k8b h THR 79 Cb 1.43 2.08 -0.03 0.00 -1.07 0.00 0.00 68.15 70.56 3k8b h THR 79 CO 0.11 0.19 -0.18 0.18 -0.01 0.00 0.00 175.52 175.81 3k8b n LEU 80 N -3.07 3.16 0.07 0.00 4.77 -0.35 -4.85 117.00 116.73 3k8b n LEU 80 Ca 0.02 -3.52 -0.03 0.00 -0.03 0.00 0.00 56.01 52.45 3k8b n LEU 80 Cb 0.63 -0.53 0.21 0.00 -2.33 0.00 0.00 43.42 41.40 3k8b n LEU 80 CO 0.38 1.07 0.66 0.77 -1.33 0.00 0.00 177.39 178.94 3k8b h SER 81 N 0.85 0.33 1.08 -1.43 4.64 -1.67 -1.94 113.55 115.41 3k8b h SER 81 Ca 0.06 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.10 3k8b h SER 81 Cb 1.24 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 3k8b h SER 81 CO 0.13 0.68 -0.72 0.07 -0.87 0.00 0.00 176.83 176.13 3k8b h LYS 82 N 0.27 0.00 0.00 4.77 2.10 -1.90 -3.04 116.57 118.78 3k8b h LYS 82 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 3k8b h LYS 82 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 3k8b h LYS 82 CO 0.06 0.72 0.00 -0.07 -2.00 0.00 0.00 179.45 178.16 3k8b h LEU 83 N 0.00 0.00 0.11 7.07 3.38 -1.73 -1.26 115.31 122.87 3k8b h LEU 83 Ca -0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3k8b h LEU 83 Cb 1.45 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.22 3k8b h LEU 83 CO 0.09 0.00 -0.63 0.28 0.09 0.00 0.00 178.44 178.27 3k8b h SER 84 N 0.00 0.35 -0.76 -0.43 0.02 -1.36 -1.61 113.55 109.76 3k8b h SER 84 Ca 0.00 -0.96 0.17 0.00 -0.84 0.00 0.00 61.79 60.16 3k8b h SER 84 Cb 0.26 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.63 3k8b h SER 84 CO 0.00 1.30 0.52 0.44 -1.14 0.00 0.00 176.83 177.95 3k8b h ASP 85 N -0.53 0.31 0.02 3.07 3.32 -1.43 0.31 116.42 121.50 3k8b h ASP 85 Ca -0.11 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3k8b h ASP 85 Cb 1.49 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.00 3k8b h ASP 85 CO 0.11 0.15 -0.01 0.25 -1.72 0.00 0.00 179.24 178.02 3k8b h LEU 86 N 0.32 -0.02 0.04 1.55 5.85 -1.22 -0.94 115.31 120.89 3k8b h LEU 86 Ca 0.38 -0.72 -0.26 0.00 0.84 0.00 0.00 57.88 58.12 3k8b h LEU 86 Cb 1.00 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3k8b h LEU 86 CO -0.11 0.79 -1.30 0.45 -0.34 0.00 0.00 178.44 177.94 3k8b h HIS 87 N -0.91 0.16 0.02 1.25 3.86 -1.21 -0.94 115.15 117.37 3k8b h HIS 87 Ca -0.00 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3k8b h HIS 87 Cb 0.75 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.21 3k8b h HIS 87 CO 0.20 1.12 -0.01 0.00 0.86 0.00 0.00 177.93 180.10 3k8b h ALA 88 N 0.83 -0.03 0.06 2.45 0.00 -0.92 -2.65 119.26 119.00 3k8b h ALA 88 Ca -0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3k8b h ALA 88 Cb 1.90 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3k8b h ALA 88 CO 0.14 -0.03 -0.03 0.45 0.00 0.00 0.00 179.25 179.78 3k8b h HIS 89 N -0.56 -0.07 0.04 0.00 -0.00 -1.58 -3.18 115.15 109.79 3k8b h HIS 89 Ca -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 3k8b h HIS 89 Cb 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.45 3k8b h HIS 89 CO 0.00 0.52 -0.02 0.87 -0.00 0.00 0.00 177.93 179.30 3k8b h LYS 90 N -0.77 -0.05 0.00 2.45 1.57 -1.04 -3.38 116.57 115.35 3k8b h LYS 90 Ca -0.01 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 3k8b h LYS 90 Cb 0.62 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3k8b h LYS 90 CO 0.01 0.51 -1.58 1.28 -0.57 0.00 0.00 179.45 179.10 3k8b n LEU 91 N -4.75 0.54 -3.40 2.94 4.77 -0.37 -5.05 117.00 111.69 3k8b n LEU 91 Ca -0.07 0.23 -0.16 0.00 -0.03 0.00 0.00 56.01 55.98 3k8b n LEU 91 Cb 0.29 0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.48 3k8b n LEU 91 CO 0.22 0.08 0.07 0.54 -1.33 0.00 0.00 177.39 176.97 3k8b n ARG 92 N -2.67 -1.48 -2.95 3.23 5.12 -1.01 -4.97 116.66 111.92 3k8b n ARG 92 Ca -0.09 0.96 -0.42 0.00 -1.93 0.00 0.00 57.85 56.37 3k8b n ARG 92 Cb 0.75 -4.67 -0.05 0.00 -1.16 0.00 0.00 32.46 27.33 3k8b n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3k8b s VAL 93 N -3.19 4.74 -0.31 1.55 1.01 -1.14 -4.97 120.40 118.08 3k8b s VAL 93 Ca 0.21 0.91 -0.39 0.00 0.00 0.00 0.00 61.98 62.71 3k8b s VAL 93 Cb -0.06 -4.21 -0.17 0.00 0.00 0.00 0.00 36.38 31.94 3k8b s VAL 93 CO 0.81 -0.42 1.25 -0.67 0.00 0.00 0.00 175.10 176.07 3k8b n ASP 94 N 6.41 0.75 0.11 3.32 -0.08 -1.26 -4.75 116.55 121.05 3k8b n ASP 94 Ca 0.03 1.02 0.05 0.00 -1.51 0.00 0.00 54.79 54.38 3k8b n ASP 94 Cb 0.48 -0.77 0.29 0.00 2.34 0.00 0.00 41.12 43.46 3k8b n ASP 94 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3k8b n PRO 95 N 2.85 0.07 0.07 -0.67 -0.02 -1.26 -2.00 135.00 134.04 3k8b n PRO 95 Ca 0.24 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.36 3k8b n PRO 95 Cb -0.02 -1.93 0.48 0.00 -0.02 0.00 0.00 33.50 32.01 3k8b n PRO 95 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3k8b n VAL 96 N -1.87 0.43 0.08 -1.45 0.24 -1.26 -3.32 118.33 111.18 3k8b n VAL 96 Ca -0.01 -0.15 -0.05 0.00 -2.04 0.00 0.00 64.34 62.09 3k8b n VAL 96 Cb 0.21 -0.60 -0.05 0.00 -1.47 0.00 0.00 33.84 31.93 3k8b n VAL 96 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 3k8b h ASN 97 N 0.00 0.00 -0.18 -1.34 -0.26 -1.76 -3.09 115.58 108.95 3k8b h ASN 97 Ca 0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.61 3k8b h ASN 97 Cb 0.62 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.87 3k8b h ASN 97 CO 0.00 0.89 -0.33 -0.26 -1.06 0.00 0.00 177.43 176.67 3k8b h PHE 98 N 0.00 0.80 -0.01 1.19 0.04 -1.75 -0.52 116.94 116.70 3k8b h PHE 98 Ca -0.01 -0.21 -0.05 0.00 2.80 0.00 0.00 57.97 60.50 3k8b h PHE 98 Cb 1.60 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 39.56 3k8b h PHE 98 CO 0.00 0.93 -0.22 0.87 -0.60 0.00 0.00 178.31 179.29 3k8b h LYS 99 N 0.58 0.02 -0.27 1.51 1.57 -1.71 -0.70 116.57 117.57 3k8b h LYS 99 Ca 0.06 -0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.68 3k8b h LYS 99 Cb 0.84 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 3k8b h LYS 99 CO 0.07 0.24 -0.47 -0.07 -0.57 0.00 0.00 179.45 178.65 3k8b h LEU 100 N 0.02 0.77 -0.00 2.94 3.38 -1.08 -2.72 115.31 118.61 3k8b h LEU 100 Ca 0.00 -0.38 -0.05 0.00 0.09 0.00 0.00 57.88 57.54 3k8b h LEU 100 Cb 0.40 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3k8b h LEU 100 CO 0.03 1.12 -0.19 0.25 0.09 0.00 0.00 178.44 179.73 3k8b h LEU 101 N 0.56 0.18 -2.05 1.67 5.85 -1.02 -3.04 115.31 117.46 3k8b h LEU 101 Ca 0.03 -0.77 0.11 0.00 0.84 0.00 0.00 57.88 58.09 3k8b h LEU 101 Cb 1.03 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3k8b h LEU 101 CO 0.10 0.92 0.31 1.23 -0.34 0.00 0.00 178.44 180.65 3k8b h GLY 102 N -0.55 0.00 1.46 3.75 0.00 -1.17 0.21 103.07 106.77 3k8b h GLY 102 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.01 3k8b h GLY 102 CO 0.04 0.00 -1.37 -1.61 0.00 0.00 0.00 176.54 173.60 3k8b h GLN 103 N 0.00 0.31 -0.51 4.80 -0.00 -1.55 -2.43 115.11 115.73 3k8b h GLN 103 Ca 0.18 -0.52 -0.10 0.00 -0.00 0.00 0.00 58.65 58.20 3k8b h GLN 103 Cb 0.79 0.19 -0.02 0.00 0.00 0.00 0.00 27.48 28.44 3k8b h GLN 103 CO -0.00 1.22 -0.09 0.00 0.00 0.00 0.00 178.83 179.96 3k8b h PHE 105 N 0.84 0.48 -0.10 0.00 3.04 -0.76 -1.35 116.94 119.08 3k8b h PHE 105 Ca 0.14 -0.05 -0.13 0.00 3.98 0.00 0.00 57.97 61.90 3k8b h PHE 105 Cb 0.62 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.99 3k8b h PHE 105 CO 0.04 0.51 -0.52 -0.07 -2.02 0.00 0.00 178.31 176.25 3k8b h LEU 106 N 0.44 0.30 -0.36 0.59 3.38 -0.93 -1.61 115.31 117.12 3k8b h LEU 106 Ca 0.09 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 3k8b h LEU 106 Cb 0.37 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3k8b h LEU 106 CO 0.02 0.77 -0.46 0.58 0.09 0.00 0.00 178.44 179.44 3k8b h VAL 107 N 0.22 1.27 -0.31 1.22 2.07 -1.14 -2.17 116.25 117.41 3k8b h VAL 107 Ca 0.01 -1.64 0.06 0.00 0.82 0.00 0.00 66.70 65.95 3k8b h VAL 107 Cb 0.99 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 32.20 3k8b h VAL 107 CO 0.08 0.54 -0.07 0.58 0.02 0.00 0.00 177.57 178.72 3k8b h VAL 108 N 0.72 0.70 -0.70 2.57 2.07 -0.77 -0.97 116.25 119.86 3k8b h VAL 108 Ca 0.04 -0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 3k8b h VAL 108 Cb 1.06 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3k8b h VAL 108 CO 0.11 0.00 0.17 0.58 0.02 0.00 0.00 177.57 178.45 3k8b h VAL 109 N 0.01 1.26 -0.30 2.57 2.07 -1.25 -2.22 116.25 118.38 3k8b h VAL 109 Ca 0.15 -0.97 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 3k8b h VAL 109 Cb 0.22 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3k8b h VAL 109 CO -0.31 0.37 0.03 0.00 0.02 0.00 0.00 177.57 177.68 3k8b h ALA 110 N 1.08 1.49 -0.46 1.67 0.00 -0.80 0.24 119.26 122.47 3k8b h ALA 110 Ca 0.22 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3k8b h ALA 110 Cb 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3k8b h ALA 110 CO 0.00 0.37 0.07 0.82 0.00 0.00 0.00 179.25 180.52 3k8b h ILE 111 N 0.44 1.25 0.00 0.00 2.04 -0.78 -3.17 117.51 117.29 3k8b h ILE 111 Ca 0.10 -0.91 -0.29 0.00 1.00 0.00 0.00 64.86 64.77 3k8b h ILE 111 Cb 0.25 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 3k8b h ILE 111 CO 0.00 0.32 -1.95 1.41 0.00 0.00 0.00 178.15 177.93 3k8b n HIS 112 N -4.45 0.54 -3.10 1.37 8.25 -0.77 -4.62 115.22 112.44 3k8b n HIS 112 Ca 0.01 0.19 -0.20 0.00 -0.26 0.00 0.00 57.72 57.45 3k8b n HIS 112 Cb 0.25 -1.06 -0.04 0.00 1.12 0.00 0.00 29.99 30.26 3k8b n HIS 112 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3k8b n HIS 113 N -2.86 -1.16 0.03 4.41 8.25 0.76 -5.01 115.22 119.65 3k8b n HIS 113 Ca -0.22 -3.09 -0.10 0.00 -0.26 0.00 0.00 57.72 54.05 3k8b n HIS 113 Cb 1.04 0.16 -0.04 0.00 1.12 0.00 0.00 29.99 32.27 3k8b n HIS 113 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3k8b h PRO 114 N 4.15 -0.22 -2.42 -0.41 0.13 -1.66 -2.61 132.00 128.97 3k8b h PRO 114 Ca 0.04 0.01 -0.41 0.00 -0.87 0.00 0.00 66.00 64.77 3k8b h PRO 114 Cb 0.92 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.06 3k8b h PRO 114 CO 0.41 -0.14 1.42 0.00 -0.23 0.00 0.00 178.00 179.46 3k8b n ALA 115 N -2.51 6.88 0.00 -0.56 0.00 -1.26 -1.64 120.51 121.41 3k8b n ALA 115 Ca -0.04 -2.63 0.00 0.00 0.00 0.00 0.00 53.44 50.77 3k8b n ALA 115 Cb 0.21 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 16.91 3k8b n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k8b n ALA 116 N 2.83 0.85 -2.69 0.00 0.00 -1.03 -5.01 120.51 115.46 3k8b n ALA 116 Ca 0.58 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.59 3k8b n ALA 116 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 3k8b n ALA 116 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3k8b s LEU 117 N -1.65 4.16 -0.07 0.00 2.96 -0.66 -4.76 118.68 118.65 3k8b s LEU 117 Ca 0.00 -2.27 -0.01 0.00 -0.22 0.00 0.00 54.13 51.64 3k8b s LEU 117 Cb 0.00 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 3k8b s LEU 117 CO 0.00 -1.15 -0.02 -0.89 -1.32 0.00 0.00 176.35 172.96 3k8b s THR 118 N 3.67 4.09 0.11 3.68 2.01 -1.26 -4.72 115.64 123.21 3k8b s THR 118 Ca 0.47 -0.36 -0.08 0.00 0.31 0.00 0.00 61.69 62.03 3k8b s THR 118 Cb 0.01 -2.71 0.11 0.00 0.01 0.00 0.00 72.50 69.92 3k8b s THR 118 CO -0.00 0.58 0.72 -2.65 -0.69 0.00 0.00 174.62 172.58 3k8b n PRO 119 N 2.10 -0.11 -0.22 4.92 -0.02 -1.26 -0.03 135.00 140.38 3k8b n PRO 119 Ca -0.18 0.71 -0.01 0.00 -2.02 0.00 0.00 63.50 62.00 3k8b n PRO 119 Cb 0.53 -1.06 0.10 0.00 -0.02 0.00 0.00 33.50 33.05 3k8b n PRO 119 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3k8b h GLU 120 N 0.00 0.58 -0.04 -0.52 3.07 -1.96 0.20 114.58 115.91 3k8b h GLU 120 Ca 0.16 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 3k8b h GLU 120 Cb 0.28 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3k8b h GLU 120 CO -0.46 0.38 -0.30 0.28 -1.40 0.00 0.00 179.01 177.52 3k8b h VAL 121 N 0.60 1.46 -0.70 3.13 2.07 -0.80 -2.63 116.25 119.38 3k8b h VAL 121 Ca 0.29 -1.79 0.13 0.00 0.82 0.00 0.00 66.70 66.16 3k8b h VAL 121 Cb 0.23 2.47 -0.09 0.00 -1.52 0.00 0.00 31.29 32.38 3k8b h VAL 121 CO -0.21 0.50 0.23 -0.74 0.02 0.00 0.00 177.57 177.38 3k8b h HIS 122 N -0.27 0.38 -0.98 1.57 -0.00 -0.30 0.19 115.15 115.74 3k8b h HIS 122 Ca -0.03 0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.39 3k8b h HIS 122 Cb 0.98 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 28.28 3k8b h HIS 122 CO 0.14 0.02 0.64 0.00 -0.00 0.00 0.00 177.93 178.73 3k8b h ALA 123 N 1.53 1.29 0.07 5.26 0.00 -0.62 -2.66 119.26 124.13 3k8b h ALA 123 Ca 0.38 -0.07 -0.27 0.00 0.00 0.00 0.00 54.91 54.95 3k8b h ALA 123 Cb 0.58 -0.40 0.03 0.00 0.00 0.00 0.00 17.79 18.00 3k8b h ALA 123 CO -0.41 0.65 -1.10 0.77 0.00 0.00 0.00 179.25 179.16 3k8b h SER 124 N 1.33 0.85 -0.22 0.00 0.02 -0.91 -2.97 113.55 111.64 3k8b h SER 124 Ca 0.36 -0.79 -0.02 0.00 -0.84 0.00 0.00 61.79 60.49 3k8b h SER 124 Cb -0.14 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.12 3k8b h SER 124 CO -0.08 1.54 0.09 0.25 -1.14 0.00 0.00 176.83 177.50 3k8b h LEU 125 N 0.25 0.35 -0.16 5.07 6.46 -0.65 -2.09 115.31 124.55 3k8b h LEU 125 Ca -0.16 -0.03 -0.23 0.00 -0.12 0.00 0.00 57.88 57.34 3k8b h LEU 125 Cb 1.77 -0.09 0.01 0.00 -0.73 0.00 0.00 40.66 41.62 3k8b h LEU 125 CO 0.21 0.35 -0.81 -0.78 -0.62 0.00 0.00 178.44 176.79 3k8b h ASP 126 N 0.39 0.91 -0.70 1.25 -0.00 -1.48 0.03 116.42 116.82 3k8b h ASP 126 Ca 0.10 -0.61 -0.00 0.00 -0.00 0.00 0.00 57.03 56.51 3k8b h ASP 126 Cb 0.12 -0.27 -0.03 0.00 -0.00 0.00 0.00 39.33 39.15 3k8b h ASP 126 CO -0.01 1.41 0.42 0.11 -0.00 0.00 0.00 179.24 181.18 3k8b h LYS 127 N 0.50 0.96 0.58 0.28 1.57 -1.28 0.21 116.57 119.40 3k8b h LYS 127 Ca -0.06 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3k8b h LYS 127 Cb 1.44 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 33.55 3k8b h LYS 127 CO 0.16 0.68 -0.28 0.35 -0.57 0.00 0.00 179.45 179.79 3k8b h PHE 128 N 0.98 -0.72 -0.07 -1.35 3.57 -1.21 0.11 116.94 118.24 3k8b h PHE 128 Ca 0.26 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.76 3k8b h PHE 128 Cb -0.03 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3k8b h PHE 128 CO 0.00 -0.41 0.24 -0.07 -2.23 0.00 0.00 178.31 175.84 3k8b h LEU 129 N -1.13 0.00 0.10 0.59 3.38 -0.90 0.43 115.31 117.78 3k8b h LEU 129 Ca -0.08 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.59 3k8b h LEU 129 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3k8b h LEU 129 CO 0.13 0.00 -1.52 0.00 0.09 0.00 0.00 178.44 177.14 3k8b h ALA 131 N 0.56 0.69 -0.09 0.00 0.00 0.21 -2.34 119.26 118.29 3k8b h ALA 131 Ca -0.23 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 3k8b h ALA 131 Cb 2.00 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 3k8b h ALA 131 CO 0.15 0.82 -0.04 0.28 0.00 0.00 0.00 179.25 180.46 3k8b h VAL 132 N 0.00 1.31 0.25 0.00 2.07 -0.41 -2.35 116.25 117.12 3k8b h VAL 132 Ca -0.01 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.51 3k8b h VAL 132 Cb 1.35 1.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.89 3k8b h VAL 132 CO 0.08 0.29 -0.40 1.23 0.02 0.00 0.00 177.57 178.79 3k8b h GLY 133 N -0.17 -0.87 -0.18 2.17 0.00 -1.43 -2.04 103.07 100.56 3k8b h GLY 133 Ca 0.02 0.47 0.26 0.00 0.00 0.00 0.00 47.33 48.08 3k8b h GLY 133 CO 0.01 -0.29 0.62 -0.84 0.00 0.00 0.00 176.54 176.04 3k8b h THR 134 N -0.72 0.51 -0.07 4.70 2.02 -1.47 -0.53 112.91 117.35 3k8b h THR 134 Ca -0.00 -0.18 -0.19 0.00 0.77 0.00 0.00 66.41 66.81 3k8b h THR 134 Cb 0.69 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3k8b h THR 134 CO -0.15 0.09 -0.70 0.58 0.37 0.00 0.00 175.52 175.71 3k8b h VAL 135 N 0.51 1.34 0.00 3.16 2.07 -1.04 0.55 116.25 122.85 3k8b h VAL 135 Ca 0.64 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3k8b h VAL 135 Cb 1.35 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 3k8b h VAL 135 CO -0.43 0.61 0.00 -0.07 0.02 0.00 0.00 177.57 177.70 3k8b h LEU 136 N 0.22 0.00 0.00 2.57 3.38 -0.51 -2.22 115.31 118.75 3k8b h LEU 136 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3k8b h LEU 136 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3k8b h LEU 136 CO 0.14 0.00 -1.69 0.35 0.09 0.00 0.00 178.44 177.33 3k8b n THR 137 N -2.42 0.00 -1.03 0.22 -2.24 -0.33 -3.32 114.28 105.16 3k8b n THR 137 Ca 0.02 -0.35 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 3k8b n THR 137 Cb 0.26 0.30 -0.16 0.00 -2.10 0.00 0.00 70.33 68.63 3k8b n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k8b n ALA 138 N -2.03 6.44 -0.24 6.98 0.00 0.18 0.11 120.51 131.95 3k8b n ALA 138 Ca -0.02 -1.96 0.00 0.00 0.00 0.00 0.00 53.44 51.46 3k8b n ALA 138 Cb 0.49 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3k8b n ALA 138 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3k8b n LYS 139 N 2.49 0.91 -0.02 0.00 4.01 -1.26 -4.59 118.16 119.69 3k8b n LYS 139 Ca 0.45 -0.23 -0.00 0.00 -0.51 0.00 0.00 58.31 58.02 3k8b n LYS 139 Cb 0.87 -0.68 -0.00 0.00 -0.51 0.00 0.00 35.03 34.71 3k8b n LYS 139 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 3k8b h TYR 140 N 0.00 0.00 -0.02 2.13 -1.99 -0.65 -3.42 116.97 113.02 3k8b h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3k8b h TYR 140 Cb 0.12 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.85 3k8b h TYR 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 178.16 178.70