#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kxc h GLU 17 N 0.00 1.14 -0.32 -1.46 4.39 -2.04 -2.82 114.58 113.46 3kxc h GLU 17 Ca 0.00 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.70 3kxc h GLU 17 Cb 0.00 -0.26 -0.08 0.00 -0.10 0.00 0.00 28.75 28.31 3kxc h GLU 17 CO 0.00 0.75 -0.31 1.25 -1.16 0.00 0.00 179.01 179.54 3kxc h LEU 18 N 1.17 -1.01 -0.18 1.33 5.85 -2.05 0.45 115.31 120.86 3kxc h LEU 18 Ca 0.32 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 3kxc h LEU 18 Cb -0.12 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3kxc h LEU 18 CO -0.07 -0.32 0.07 0.15 -0.34 0.00 0.00 178.44 177.93 3kxc h PHE 19 N -0.28 0.28 -0.41 1.25 3.57 -1.98 -1.61 116.94 117.76 3kxc h PHE 19 Ca 0.15 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.69 3kxc h PHE 19 Cb 0.53 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 3kxc h PHE 19 CO -0.49 0.33 0.09 1.15 -2.23 0.00 0.00 178.31 177.17 3kxc h THR 20 N 0.14 0.80 -0.51 4.41 2.02 -1.14 0.19 112.91 118.82 3kxc h THR 20 Ca 0.06 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 3kxc h THR 20 Cb 0.17 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3kxc h THR 20 CO -0.00 0.04 -0.04 -0.07 0.37 0.00 0.00 175.52 175.81 3kxc h LEU 21 N 0.23 0.93 -0.34 2.58 3.38 -0.10 -0.81 115.31 121.16 3kxc h LEU 21 Ca 0.20 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3kxc h LEU 21 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3kxc h LEU 21 CO -0.25 1.03 0.01 0.74 0.09 0.00 0.00 178.44 180.06 3kxc h THR 22 N 0.80 1.25 -0.67 0.22 2.02 -0.91 -1.24 112.91 114.39 3kxc h THR 22 Ca 0.14 -0.95 -0.06 0.00 0.77 0.00 0.00 66.41 66.31 3kxc h THR 22 Cb 0.58 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 3kxc h THR 22 CO 0.04 0.31 0.17 0.22 0.37 0.00 0.00 175.52 176.63 3kxc h TYR 23 N 0.41 1.12 -0.87 3.16 3.20 -0.55 -0.90 116.97 122.53 3kxc h TYR 23 Ca 0.10 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3kxc h TYR 23 Cb 0.43 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 3kxc h TYR 23 CO 0.03 0.92 0.56 0.78 -1.64 0.00 0.00 178.16 178.81 3kxc h GLY 24 N 1.00 1.25 0.98 1.82 0.00 -1.04 -1.11 103.07 105.97 3kxc h GLY 24 Ca 0.21 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 3kxc h GLY 24 CO 0.00 0.48 0.15 0.00 0.00 0.00 0.00 176.54 177.16 3kxc h ALA 25 N 1.31 0.69 0.30 3.60 0.00 -0.82 -1.32 119.26 123.01 3kxc h ALA 25 Ca 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kxc h ALA 25 Cb -0.10 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3kxc h ALA 25 CO -0.06 0.36 -0.33 1.25 0.00 0.00 0.00 179.25 180.47 3kxc h LEU 26 N 0.72 -0.89 -0.71 0.00 6.46 -0.90 -0.69 115.31 119.30 3kxc h LEU 26 Ca 0.17 0.08 0.09 0.00 -0.12 0.00 0.00 57.88 58.10 3kxc h LEU 26 Cb 0.30 0.30 -0.07 0.00 -0.73 0.00 0.00 40.66 40.47 3kxc h LEU 26 CO -0.00 -0.45 0.36 0.58 -0.62 0.00 0.00 178.44 178.31 3kxc h VAL 27 N -0.66 0.87 -0.67 1.05 2.07 -1.10 0.74 116.25 118.54 3kxc h VAL 27 Ca -0.01 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.33 3kxc h VAL 27 Cb 0.61 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.52 3kxc h VAL 27 CO -0.08 0.11 0.41 0.74 0.02 0.00 0.00 177.57 178.78 3kxc h THR 28 N 0.63 1.06 -0.29 2.57 2.02 -1.01 -1.87 112.91 116.02 3kxc h THR 28 Ca 0.35 -0.27 -0.18 0.00 0.77 0.00 0.00 66.41 67.07 3kxc h THR 28 Cb 0.34 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3kxc h THR 28 CO -0.26 0.14 -0.53 -0.61 0.37 0.00 0.00 175.52 174.64 3kxc h GLN 29 N 0.79 0.87 -0.90 6.66 5.75 -0.07 -2.82 115.11 125.40 3kxc h GLN 29 Ca 0.28 -0.55 0.00 0.00 -0.15 0.00 0.00 58.65 58.23 3kxc h GLN 29 Cb 0.05 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.62 3kxc h GLN 29 CO -0.12 1.18 0.58 -0.07 -2.65 0.00 0.00 178.83 177.75 3kxc h LEU 30 N 0.66 1.05 -1.81 -2.39 3.38 -0.73 -1.31 115.31 114.15 3kxc h LEU 30 Ca 0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3kxc h LEU 30 Cb 1.13 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 3kxc h LEU 30 CO 0.12 0.77 -0.15 0.00 0.09 0.00 0.00 178.44 179.27 3kxc h LYS 32 N 0.00 0.45 -0.38 0.00 1.57 -1.17 -3.35 116.57 113.69 3kxc h LYS 32 Ca -0.00 -0.68 -0.15 0.00 -1.87 0.00 0.00 60.65 57.95 3kxc h LYS 32 Cb 0.35 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3kxc h LYS 32 CO 0.02 1.31 -0.35 -0.44 -0.57 0.00 0.00 179.45 179.42 3kxc h ASP 33 N 0.16 0.96 -3.10 0.86 3.32 -0.32 -3.44 116.42 114.86 3kxc h ASP 33 Ca -0.18 -0.46 -0.65 0.00 0.02 0.00 0.00 57.03 55.76 3kxc h ASP 33 Cb 1.97 -0.27 -0.13 0.00 0.22 0.00 0.00 39.33 41.13 3kxc h ASP 33 CO 0.23 1.22 -0.55 -0.31 -1.72 0.00 0.00 179.24 178.11 3kxc s TYR 34 N -4.42 3.34 0.27 4.55 1.51 -0.03 -5.01 117.35 117.56 3kxc s TYR 34 Ca -0.11 0.26 0.02 0.00 -1.01 0.00 0.00 57.07 56.22 3kxc s TYR 34 Cb 0.11 -1.95 0.39 0.00 -0.11 0.00 0.00 41.96 40.39 3kxc s TYR 34 CO 0.87 0.43 1.71 0.93 -1.11 0.00 0.00 175.55 178.38 3kxc h GLU 35 N 5.72 0.51 -5.85 -0.62 5.08 -1.86 -3.44 114.58 114.12 3kxc h GLU 35 Ca -0.47 -0.19 -0.52 0.00 -1.00 0.00 0.00 59.36 57.18 3kxc h GLU 35 Cb 1.19 -0.03 -0.23 0.00 0.50 0.00 0.00 28.75 30.18 3kxc h GLU 35 CO 0.62 0.72 -0.81 0.54 -1.00 0.00 0.00 179.01 179.08 3kxc s ASN 36 N -6.80 2.21 0.52 1.42 4.22 -1.26 -5.05 114.94 110.21 3kxc s ASN 36 Ca -0.07 -0.60 0.30 0.00 -2.14 0.00 0.00 52.86 50.34 3kxc s ASN 36 Cb 0.14 -0.13 1.39 0.00 1.28 0.00 0.00 41.25 43.93 3kxc s ASN 36 CO 0.80 0.05 2.02 0.44 -2.04 0.00 0.00 177.10 178.36 3kxc h ASP 37 N 4.41 0.00 -0.74 3.54 3.32 -1.93 -2.42 116.42 122.59 3kxc h ASP 37 Ca -0.43 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 3kxc h ASP 37 Cb 1.18 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.69 3kxc h ASP 37 CO 0.41 0.11 0.37 -0.33 -1.72 0.00 0.00 179.24 178.08 3kxc h GLU 38 N 0.00 1.06 -0.73 3.56 3.07 -1.97 0.46 114.58 120.03 3kxc h GLU 38 Ca -0.00 -0.15 -0.06 0.00 -0.50 0.00 0.00 59.36 58.66 3kxc h GLU 38 Cb 0.45 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 3kxc h GLU 38 CO 0.01 0.82 0.23 -0.44 -1.40 0.00 0.00 179.01 178.23 3kxc h ASP 39 N 1.04 1.05 0.13 1.42 3.32 -1.87 -0.76 116.42 120.75 3kxc h ASP 39 Ca 0.26 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3kxc h ASP 39 Cb 0.09 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 3kxc h ASP 39 CO -0.04 0.97 -0.07 0.58 -1.72 0.00 0.00 179.24 178.96 3kxc h VAL 40 N 1.08 0.85 -0.62 -1.35 2.07 -1.24 -1.91 116.25 115.13 3kxc h VAL 40 Ca 0.24 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.88 3kxc h VAL 40 Cb 0.30 0.85 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 3kxc h VAL 40 CO -0.01 0.00 0.10 0.78 0.02 0.00 0.00 177.57 178.46 3kxc h ASN 41 N -0.19 -0.07 -0.45 0.57 2.35 0.07 -0.50 115.58 117.36 3kxc h ASN 41 Ca -0.01 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3kxc h ASN 41 Cb 0.16 0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 3kxc h ASN 41 CO 0.02 -0.03 0.24 0.11 -1.65 0.00 0.00 177.43 176.12 3kxc h LYS 42 N 0.22 0.63 -0.44 0.81 1.57 -1.01 -1.20 116.57 117.14 3kxc h LYS 42 Ca 0.33 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.96 3kxc h LYS 42 Cb 0.51 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3kxc h LYS 42 CO -0.45 0.51 0.02 0.37 -0.57 0.00 0.00 179.45 179.33 3kxc h GLN 43 N 0.59 0.77 -0.46 3.15 5.75 -0.85 -1.10 115.11 122.96 3kxc h GLN 43 Ca 0.16 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.46 3kxc h GLN 43 Cb 0.07 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 3kxc h GLN 43 CO -0.02 0.82 0.22 -0.07 -2.65 0.00 0.00 178.83 177.13 3kxc h LEU 44 N 0.62 0.31 -0.35 -2.39 3.38 -0.99 -0.61 115.31 115.28 3kxc h LEU 44 Ca 0.13 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3kxc h LEU 44 Cb 0.46 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3kxc h LEU 44 CO 0.02 0.22 0.23 -0.78 0.09 0.00 0.00 178.44 178.22 3kxc h ASP 45 N 0.44 0.40 -0.73 -0.43 3.58 -1.03 -0.96 116.42 117.69 3kxc h ASP 45 Ca 0.20 -0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 3kxc h ASP 45 Cb 0.12 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 3kxc h ASP 45 CO -0.15 0.30 0.34 0.50 -2.88 0.00 0.00 179.24 177.35 3kxc h LYS 46 N 0.47 1.06 -0.62 0.28 3.64 -0.85 0.16 116.57 120.72 3kxc h LYS 46 Ca 0.13 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3kxc h LYS 46 Cb -0.05 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 3kxc h LYS 46 CO -0.03 0.84 0.13 0.52 -2.27 0.00 0.00 179.45 178.63 3kxc h MET 47 N 1.03 1.00 -0.23 1.90 2.86 -1.01 -2.21 114.93 118.28 3kxc h MET 47 Ca 0.25 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kxc h MET 47 Cb 0.13 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3kxc h MET 47 CO -0.03 0.93 0.14 0.78 1.06 0.00 0.00 176.91 179.79 3kxc h GLY 48 N 0.91 0.33 0.32 8.32 0.00 -0.76 -0.64 103.07 111.55 3kxc h GLY 48 Ca 0.19 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.45 3kxc h GLY 48 CO 0.01 0.13 -0.12 -2.75 0.00 0.00 0.00 176.54 173.80 3kxc h PHE 49 N 0.30 -0.28 -0.83 5.60 3.57 -0.55 0.26 116.94 125.00 3kxc h PHE 49 Ca 0.08 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3kxc h PHE 49 Cb -0.00 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 3kxc h PHE 49 CO -0.05 -0.19 0.47 -0.91 -2.23 0.00 0.00 178.31 175.40 3kxc h ASN 50 N -0.07 1.03 -0.05 0.41 2.35 -1.22 -1.91 115.58 116.12 3kxc h ASN 50 Ca 0.15 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3kxc h ASN 50 Cb 0.30 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 3kxc h ASN 50 CO -0.34 0.81 0.01 0.40 -1.65 0.00 0.00 177.43 176.67 3kxc h ILE 51 N 1.16 1.20 -0.94 2.81 2.04 -0.44 -3.23 117.51 120.12 3kxc h ILE 51 Ca 0.30 -0.62 0.07 0.00 1.00 0.00 0.00 64.86 65.60 3kxc h ILE 51 Cb 0.00 1.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.55 3kxc h ILE 51 CO -0.05 0.17 0.61 1.23 0.00 0.00 0.00 178.15 180.11 3kxc h GLY 52 N -0.16 1.38 0.68 5.37 0.00 -0.14 0.30 103.07 110.51 3kxc h GLY 52 Ca 0.02 -0.43 0.12 0.00 0.00 0.00 0.00 47.33 47.03 3kxc h GLY 52 CO 0.00 0.31 0.55 -2.08 0.00 0.00 0.00 176.54 175.32 3kxc h VAL 53 N 1.07 0.90 0.17 4.60 2.07 -1.38 -1.81 116.25 121.86 3kxc h VAL 53 Ca 0.40 -0.25 -0.33 0.00 0.82 0.00 0.00 66.70 67.34 3kxc h VAL 53 Cb 0.20 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3kxc h VAL 53 CO -0.15 0.13 -1.65 0.03 0.02 0.00 0.00 177.57 175.94 3kxc h ARG 54 N 0.72 0.35 -0.88 1.57 3.08 -1.07 -3.37 114.38 114.79 3kxc h ARG 54 Ca 0.41 -0.60 0.05 0.00 0.07 0.00 0.00 59.98 59.90 3kxc h ARG 54 Cb 0.57 0.22 -0.05 0.00 0.08 0.00 0.00 29.97 30.79 3kxc h ARG 54 CO -0.17 1.25 0.57 1.25 -1.07 0.00 0.00 179.97 181.80 3kxc h LEU 55 N 0.10 0.91 -1.17 3.04 5.85 -0.02 -2.70 115.31 121.33 3kxc h LEU 55 Ca -0.30 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3kxc h LEU 55 Cb 2.08 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.86 3kxc h LEU 55 CO 0.18 0.61 0.57 -0.29 -0.34 0.00 0.00 178.44 179.17 3kxc h ILE 56 N 1.05 1.16 -0.40 4.05 6.09 -1.51 0.16 117.51 128.10 3kxc h ILE 56 Ca 0.36 -0.38 -0.13 0.00 -1.37 0.00 0.00 64.86 63.35 3kxc h ILE 56 Cb 0.10 -0.03 -0.01 0.00 0.47 0.00 0.00 36.82 37.35 3kxc h ILE 56 CO -0.12 0.20 -0.26 -0.33 -3.07 0.00 0.00 178.15 174.57 3kxc h GLU 57 N 1.09 0.84 -0.25 2.19 5.08 -1.69 0.00 114.58 121.85 3kxc h GLU 57 Ca 0.34 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3kxc h GLU 57 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3kxc h GLU 57 CO -0.10 1.00 0.15 0.22 -1.00 0.00 0.00 179.01 179.28 3kxc h ASP 58 N 0.72 0.30 -0.17 1.42 1.82 -1.27 -2.85 116.42 116.39 3kxc h ASP 58 Ca 0.09 -0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 3kxc h ASP 58 Cb 0.80 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.73 3kxc h ASP 58 CO 0.07 0.27 0.05 0.15 -1.61 0.00 0.00 179.24 178.17 3kxc h PHE 59 N 0.31 0.28 0.00 0.28 3.57 -0.42 -2.65 116.94 118.31 3kxc h PHE 59 Ca 0.09 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3kxc h PHE 59 Cb 0.02 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3kxc h PHE 59 CO -0.04 0.37 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.09 3kxc h LEU 60 N 0.10 0.00 -0.43 0.59 3.38 -1.06 -1.93 115.31 115.96 3kxc h LEU 60 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3kxc h LEU 60 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kxc h LEU 60 CO -0.00 0.25 -0.22 0.00 0.09 0.00 0.00 178.44 178.56 3kxc h ALA 61 N 1.75 0.90 0.00 1.53 0.00 -1.38 -3.34 119.26 118.72 3kxc h ALA 61 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kxc h ALA 61 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3kxc h ALA 61 CO 0.03 0.27 -1.69 0.54 0.00 0.00 0.00 179.25 178.40 3kxc n ARG 62 N -3.21 0.59 -4.45 0.00 1.74 -0.78 -4.98 116.66 105.58 3kxc n ARG 62 Ca 0.02 -0.11 -0.23 0.00 -0.77 0.00 0.00 57.85 56.76 3kxc n ARG 62 Cb 0.55 -1.58 -0.10 0.00 -1.02 0.00 0.00 32.46 30.30 3kxc n ARG 62 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kxc s SER 63 N -4.57 3.27 -0.69 0.55 1.04 -0.89 -5.07 113.70 107.34 3kxc s SER 63 Ca -0.05 -1.08 0.04 0.00 0.48 0.00 0.00 55.95 55.35 3kxc s SER 63 Cb 0.13 -0.25 0.29 0.00 0.10 0.00 0.00 66.02 66.29 3kxc s SER 63 CO 0.88 -0.10 0.98 0.59 0.98 0.00 0.00 173.24 176.57 3kxc n ASN 64 N -0.59 4.59 0.00 7.02 3.02 -1.26 -4.84 115.26 123.20 3kxc n ASN 64 Ca -0.06 -3.55 0.13 0.00 -0.03 0.00 0.00 54.58 51.07 3kxc n ASN 64 Cb 0.61 -0.73 0.68 0.00 -0.61 0.00 0.00 39.78 39.73 3kxc n ASN 64 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3kxc n VAL 65 N 0.42 0.14 -4.56 2.41 0.31 -1.26 -5.01 118.33 110.78 3kxc n VAL 65 Ca 0.31 0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 3kxc n VAL 65 Cb 0.38 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3kxc n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kxc n GLY 66 N 0.87 1.38 2.93 2.92 0.00 -1.26 -4.72 105.19 107.31 3kxc n GLY 66 Ca 0.14 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 3kxc n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kxc s ARG 67 N 0.00 0.60 -0.45 1.61 1.81 -1.26 -5.12 118.95 116.14 3kxc s ARG 67 Ca 0.00 -0.14 -0.28 0.00 -1.72 0.00 0.00 55.73 53.59 3kxc s ARG 67 Cb 0.00 -0.62 0.03 0.00 -0.45 0.00 0.00 34.95 33.91 3kxc s ARG 67 CO 0.00 0.02 1.06 0.00 -0.68 0.00 0.00 175.30 175.70 3kxc s ALA 68 N 0.39 3.23 -0.29 2.13 0.00 -1.26 -4.92 121.76 121.03 3kxc s ALA 68 Ca -0.05 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.41 3kxc s ALA 68 Cb -0.08 -3.78 0.35 0.00 0.00 0.00 0.00 23.12 19.61 3kxc s ALA 68 CO -0.00 -2.08 1.66 -2.39 0.00 0.00 0.00 175.76 172.95 3kxc n HIS 69 N 7.49 1.79 -3.87 0.00 1.44 -1.26 -4.81 115.22 116.00 3kxc n HIS 69 Ca 0.10 -1.51 0.03 0.00 -2.01 0.00 0.00 57.72 54.33 3kxc n HIS 69 Cb 0.49 -0.76 0.01 0.00 0.12 0.00 0.00 29.99 29.85 3kxc n HIS 69 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 3kxc s ASP 70 N -0.28 -0.01 0.42 4.39 1.47 -1.26 -4.99 116.67 116.40 3kxc s ASP 70 Ca 0.34 -0.16 0.13 0.00 1.18 0.00 0.00 52.55 54.04 3kxc s ASP 70 Cb 0.28 0.13 0.89 0.00 -0.34 0.00 0.00 42.92 43.88 3kxc s ASP 70 CO 0.04 -0.26 1.93 0.15 0.68 0.00 0.00 175.17 177.71 3kxc h PHE 71 N 2.00 0.02 -0.12 2.11 3.57 -1.89 -1.86 116.94 120.76 3kxc h PHE 71 Ca -0.25 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.24 3kxc h PHE 71 Cb 1.19 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 3kxc h PHE 71 CO 1.06 0.26 0.04 0.00 -2.23 0.00 0.00 178.31 177.44 3kxc h ARG 72 N 0.02 0.20 -0.41 1.11 3.08 -1.95 -0.45 114.38 115.97 3kxc h ARG 72 Ca 0.00 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3kxc h ARG 72 Cb 0.44 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3kxc h ARG 72 CO 0.03 0.34 -0.02 0.93 -1.07 0.00 0.00 179.97 180.18 3kxc h GLU 73 N 0.01 0.67 -0.46 0.04 5.08 -1.90 -2.70 114.58 115.33 3kxc h GLU 73 Ca 0.04 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3kxc h GLU 73 Cb 0.23 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3kxc h GLU 73 CO -0.00 0.71 0.16 1.15 -1.00 0.00 0.00 179.01 180.03 3kxc h THR 74 N 0.63 1.22 -0.49 1.13 2.02 -1.23 -2.18 112.91 114.01 3kxc h THR 74 Ca 0.13 -0.70 0.09 0.00 0.77 0.00 0.00 66.41 66.70 3kxc h THR 74 Cb 0.43 0.81 -0.07 0.00 -1.74 0.00 0.00 68.15 67.58 3kxc h THR 74 CO 0.02 0.25 0.06 0.00 0.37 0.00 0.00 175.52 176.22 3kxc h ALA 75 N 1.01 0.51 -0.64 6.16 0.00 -0.83 0.45 119.26 125.92 3kxc h ALA 75 Ca 0.15 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3kxc h ALA 75 Cb 0.24 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3kxc h ALA 75 CO -0.01 -0.35 0.41 -0.44 0.00 0.00 0.00 179.25 178.86 3kxc h ASP 76 N 0.18 0.75 -0.20 0.00 3.32 -1.30 0.43 116.42 119.60 3kxc h ASP 76 Ca 0.25 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3kxc h ASP 76 Cb 0.35 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3kxc h ASP 76 CO -0.36 0.57 0.08 0.58 -1.72 0.00 0.00 179.24 178.39 3kxc h VAL 77 N 0.87 1.16 0.82 -1.35 2.07 -0.77 -0.13 116.25 118.92 3kxc h VAL 77 Ca 0.23 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 3kxc h VAL 77 Cb -0.06 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3kxc h VAL 77 CO -0.05 0.15 -0.50 0.40 0.02 0.00 0.00 177.57 177.60 3kxc h ILE 78 N 0.18 0.00 -0.23 4.57 2.04 -0.63 -1.19 117.51 122.25 3kxc h ILE 78 Ca 0.07 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 3kxc h ILE 78 Cb 0.17 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 3kxc h ILE 78 CO -0.01 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.23 3kxc h ALA 79 N -1.18 0.30 0.00 1.87 0.00 -0.92 -1.47 119.26 117.86 3kxc h ALA 79 Ca -0.11 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3kxc h ALA 79 Cb 0.99 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3kxc h ALA 79 CO 0.11 -0.09 -1.47 1.63 0.00 0.00 0.00 179.25 179.43 3kxc n LYS 80 N -4.78 0.63 -0.01 0.00 4.01 -0.06 -4.05 118.16 113.89 3kxc n LYS 80 Ca -0.03 0.11 -0.05 0.00 -0.51 0.00 0.00 58.31 57.83 3kxc n LYS 80 Cb 0.14 -1.74 -0.02 0.00 -0.51 0.00 0.00 35.03 32.90 3kxc n LYS 80 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3kxc n VAL 81 N -2.72 1.04 -0.04 -0.18 0.31 -0.79 -4.55 118.33 111.41 3kxc n VAL 81 Ca -0.08 0.17 -0.13 0.00 -0.01 0.00 0.00 64.34 64.28 3kxc n VAL 81 Cb 0.74 -1.76 -0.09 0.00 -0.91 0.00 0.00 33.84 31.83 3kxc n VAL 81 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kxc h ALA 82 N -0.32 0.11 -0.96 3.52 0.00 -1.03 0.09 119.26 120.68 3kxc h ALA 82 Ca -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3kxc h ALA 82 Cb 0.63 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3kxc h ALA 82 CO -0.05 -0.05 0.61 0.74 0.00 0.00 0.00 179.25 180.50 3kxc h PHE 83 N -0.24 1.24 0.35 0.00 -1.00 -1.46 -0.71 116.94 115.12 3kxc h PHE 83 Ca 0.01 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 3kxc h PHE 83 Cb 0.62 -0.41 0.00 0.00 3.61 0.00 0.00 35.95 39.77 3kxc h PHE 83 CO 0.10 0.81 -0.17 -0.22 -1.61 0.00 0.00 178.31 177.21 3kxc h LYS 84 N 1.32 -0.45 -0.30 1.51 1.63 -1.20 0.28 116.57 119.35 3kxc h LYS 84 Ca 0.35 0.03 0.06 0.00 -0.85 0.00 0.00 60.65 60.24 3kxc h LYS 84 Cb -0.10 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.58 3kxc h LYS 84 CO -0.07 -0.28 -0.04 1.98 -3.45 0.00 0.00 179.45 177.59 3kxc h MET 85 N -0.51 0.04 0.05 1.90 4.05 -0.72 0.23 114.93 119.97 3kxc h MET 85 Ca -0.05 -0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.06 3kxc h MET 85 Cb 0.38 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.14 3kxc h MET 85 CO 0.08 0.02 -1.76 1.88 0.23 0.00 0.00 176.91 177.37 3kxc h TYR 86 N 0.04 0.20 0.00 1.39 -1.99 -1.07 -3.40 116.97 112.14 3kxc h TYR 86 Ca 0.15 -0.15 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3kxc h TYR 86 Cb 0.21 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.93 3kxc h TYR 86 CO -0.26 1.29 -0.24 1.28 -0.00 0.00 0.00 178.16 180.23 3kxc n LEU 87 N -3.24 0.16 -1.11 3.88 4.32 0.93 -4.99 117.00 116.96 3kxc n LEU 87 Ca -0.21 -0.47 -0.10 0.00 -0.02 0.00 0.00 56.01 55.21 3kxc n LEU 87 Cb 1.05 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.83 3kxc n LEU 87 CO 0.45 0.04 -0.13 0.61 -1.22 0.00 0.00 177.39 177.14 3kxc n GLY 88 N 1.17 0.19 3.15 -0.72 0.00 0.07 -4.93 105.19 104.11 3kxc n GLY 88 Ca 0.01 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 3kxc n GLY 88 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kxc s ILE 89 N -2.49 0.70 -0.40 -0.61 -4.36 -1.20 -4.93 121.20 107.91 3kxc s ILE 89 Ca 0.00 -1.70 0.02 0.00 -0.26 0.00 0.00 60.65 58.71 3kxc s ILE 89 Cb 0.00 -1.40 0.12 0.00 1.25 0.00 0.00 42.46 42.44 3kxc s ILE 89 CO 0.00 -0.72 0.18 -0.89 0.24 0.00 0.00 174.94 173.76 3kxc s THR 90 N -2.94 1.49 0.56 8.37 2.01 -1.26 -1.66 115.64 122.21 3kxc s THR 90 Ca 0.06 -2.33 -0.21 0.00 0.31 0.00 0.00 61.69 59.52 3kxc s THR 90 Cb 0.01 -2.07 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 3kxc s THR 90 CO -0.03 -0.80 1.32 -2.16 -0.69 0.00 0.00 174.62 172.26 3kxc s PRO 91 N 0.66 3.10 0.30 4.92 0.04 -1.26 -5.01 135.00 137.75 3kxc s PRO 91 Ca 0.15 2.13 -0.17 0.00 0.04 0.00 0.00 61.00 63.14 3kxc s PRO 91 Cb -0.22 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.05 3kxc s PRO 91 CO -0.07 -1.19 0.76 -1.54 0.04 0.00 0.00 177.00 175.00 3kxc s SER 92 N -1.12 6.89 -0.21 6.66 1.04 -0.90 -4.75 113.70 121.32 3kxc s SER 92 Ca 0.73 1.38 -0.11 0.00 0.48 0.00 0.00 55.95 58.43 3kxc s SER 92 Cb -0.38 -2.41 -0.05 0.00 0.10 0.00 0.00 66.02 63.28 3kxc s SER 92 CO 0.44 -0.15 0.18 -0.63 0.98 0.00 0.00 173.24 174.06 3kxc s ILE 93 N -1.86 5.36 0.29 -1.02 1.01 -1.26 -0.46 121.20 123.27 3kxc s ILE 93 Ca 0.52 0.27 0.03 0.00 0.00 0.00 0.00 60.65 61.46 3kxc s ILE 93 Cb -0.12 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 3kxc s ILE 93 CO 0.18 0.39 0.28 0.42 0.00 0.00 0.00 174.94 176.21 3kxc s THR 94 N 0.68 0.00 -1.26 2.92 -4.23 -0.49 -4.98 115.64 108.29 3kxc s THR 94 Ca 0.10 -1.91 -0.02 0.00 -1.18 0.00 0.00 61.69 58.68 3kxc s THR 94 Cb -0.12 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.20 3kxc s THR 94 CO 0.02 0.00 0.76 0.59 -0.54 0.00 0.00 174.62 175.45 3kxc n ASN 95 N -1.13 -1.90 -4.72 3.99 5.03 -1.26 -0.47 115.26 114.80 3kxc n ASN 95 Ca 0.05 -0.80 -0.42 0.00 0.87 0.00 0.00 54.58 54.28 3kxc n ASN 95 Cb 0.63 -4.25 -0.03 0.00 -1.02 0.00 0.00 39.78 35.11 3kxc n ASN 95 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3kxc s TRP 96 N -3.59 3.19 0.42 3.10 0.52 -1.26 -4.28 118.94 117.04 3kxc s TRP 96 Ca 0.06 0.87 -0.25 0.00 0.02 0.00 0.00 56.10 56.80 3kxc s TRP 96 Cb -0.01 -3.75 -0.08 0.00 -1.15 0.00 0.00 33.47 28.48 3kxc s TRP 96 CO 0.80 -2.66 1.25 -1.54 0.02 0.00 0.00 176.95 174.83 3kxc s SER 97 N 1.09 6.27 0.56 2.95 1.04 -0.73 -4.91 113.70 119.97 3kxc s SER 97 Ca 0.66 2.54 0.31 0.00 0.48 0.00 0.00 55.95 59.94 3kxc s SER 97 Cb -0.39 -2.63 1.46 0.00 0.10 0.00 0.00 66.02 64.56 3kxc s SER 97 CO 0.31 -0.86 1.83 -0.65 0.98 0.00 0.00 173.24 174.84 3kxc h PRO 98 N 2.50 0.00 -0.01 4.02 0.11 -1.95 -0.59 132.00 136.09 3kxc h PRO 98 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kxc h PRO 98 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kxc h PRO 98 CO 0.62 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.32 3kxc n ALA 99 N -2.56 2.74 -1.45 -0.75 0.00 -1.26 -4.94 120.51 112.29 3kxc n ALA 99 Ca 0.17 -0.30 -0.10 0.00 0.00 0.00 0.00 53.44 53.20 3kxc n ALA 99 Cb 0.97 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 19.06 3kxc n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kxc n GLY 100 N 1.22 0.98 0.57 0.00 0.00 -0.23 -4.91 105.19 102.83 3kxc n GLY 100 Ca 0.17 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.71 3kxc n GLY 100 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kxc n ASP 101 N 0.25 2.99 -3.67 1.61 5.75 -1.26 -4.62 116.55 117.60 3kxc n ASP 101 Ca -0.11 -2.31 -0.11 0.00 -0.01 0.00 0.00 54.79 52.25 3kxc n ASP 101 Cb 0.39 -0.28 -0.09 0.00 -1.03 0.00 0.00 41.12 40.11 3kxc n ASP 101 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3kxc s GLU 102 N -1.55 0.61 0.21 0.11 2.12 -1.26 -0.37 118.70 118.57 3kxc s GLU 102 Ca 0.25 0.92 -0.16 0.00 0.36 0.00 0.00 54.97 56.34 3kxc s GLU 102 Cb 0.17 0.19 0.02 0.00 0.26 0.00 0.00 34.13 34.76 3kxc s GLU 102 CO 0.11 -0.12 0.50 -0.59 -0.54 0.00 0.00 175.26 174.62 3kxc s PHE 103 N 0.97 0.05 0.03 5.30 -0.12 -0.54 -1.78 117.98 121.89 3kxc s PHE 103 Ca -0.05 -0.41 0.07 0.00 -0.05 0.00 0.00 56.93 56.49 3kxc s PHE 103 Cb -0.05 0.32 -0.03 0.00 -0.63 0.00 0.00 43.02 42.63 3kxc s PHE 103 CO -0.09 -0.94 -0.19 -1.12 -0.05 0.00 0.00 175.22 172.83 3kxc s SER 104 N -2.92 3.70 -0.30 1.98 0.01 0.38 -0.32 113.70 116.22 3kxc s SER 104 Ca 0.13 -0.43 -0.11 0.00 1.31 0.00 0.00 55.95 56.85 3kxc s SER 104 Cb -0.01 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.62 3kxc s SER 104 CO 0.01 0.27 0.19 -0.76 0.41 0.00 0.00 173.24 173.36 3kxc s LEU 105 N -1.32 4.13 -0.22 2.44 1.43 0.51 -1.39 118.68 124.26 3kxc s LEU 105 Ca 0.14 -0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 52.91 3kxc s LEU 105 Cb -0.10 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 3kxc s LEU 105 CO 0.04 -0.13 0.13 -0.63 0.23 0.00 0.00 176.35 176.00 3kxc s ILE 106 N 1.71 5.26 0.17 -0.59 -1.09 0.40 -1.14 121.20 125.92 3kxc s ILE 106 Ca 0.06 0.14 0.11 0.00 -2.23 0.00 0.00 60.65 58.74 3kxc s ILE 106 Cb -0.16 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 3kxc s ILE 106 CO 0.09 0.39 -0.25 -0.76 -1.23 0.00 0.00 174.94 173.18 3kxc s LEU 107 N 0.78 2.39 0.44 2.97 1.43 0.42 -2.11 118.68 125.01 3kxc s LEU 107 Ca 0.07 -0.82 0.24 0.00 -1.03 0.00 0.00 54.13 52.59 3kxc s LEU 107 Cb -0.13 -1.19 0.61 0.00 0.03 0.00 0.00 46.19 45.51 3kxc s LEU 107 CO 0.02 0.14 1.70 1.05 0.23 0.00 0.00 176.35 179.49 3kxc h GLU 108 N 3.45 0.00 0.00 1.70 4.11 -1.94 0.65 114.58 122.55 3kxc h GLU 108 Ca -0.48 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.84 3kxc h GLU 108 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 3kxc h GLU 108 CO 0.45 0.11 -0.06 0.27 0.07 0.00 0.00 179.01 179.85 3kxc n ASN 109 N -3.16 -0.51 -4.70 3.06 0.23 -1.26 -4.63 115.26 104.30 3kxc n ASN 109 Ca 0.02 -1.72 -0.41 0.00 -0.53 0.00 0.00 54.58 51.95 3kxc n ASN 109 Cb 0.50 0.95 -0.04 0.00 -2.08 0.00 0.00 39.78 39.11 3kxc n ASN 109 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kxc s ASN 110 N -1.82 7.12 0.47 0.53 3.84 -1.26 -4.50 114.94 119.32 3kxc s ASN 110 Ca 0.11 1.36 0.25 0.00 0.21 0.00 0.00 52.86 54.79 3kxc s ASN 110 Cb -0.00 -2.49 1.15 0.00 -0.55 0.00 0.00 41.25 39.36 3kxc s ASN 110 CO 0.08 -0.30 1.93 1.55 -2.79 0.00 0.00 177.10 177.58 3kxc h PRO 111 N 7.00 0.00 0.00 0.43 0.13 -1.99 -3.23 132.00 134.35 3kxc h PRO 111 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3kxc h PRO 111 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3kxc h PRO 111 CO 0.80 0.19 -0.94 1.28 -0.23 0.00 0.00 178.00 179.09 3kxc n LEU 112 N -3.51 0.19 -3.92 1.56 4.77 -1.26 -5.00 117.00 109.83 3kxc n LEU 112 Ca -0.01 -0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 55.51 3kxc n LEU 112 Cb 0.35 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.27 3kxc n LEU 112 CO 0.32 0.05 -0.43 -0.69 -1.33 0.00 0.00 177.39 175.31 3kxc s VAL 113 N -2.25 0.79 -0.04 4.08 1.01 -1.22 -4.80 120.40 117.98 3kxc s VAL 113 Ca -0.00 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 61.80 3kxc s VAL 113 Cb 0.06 -0.79 -0.24 0.00 0.00 0.00 0.00 36.38 35.41 3kxc s VAL 113 CO 0.37 0.29 0.67 0.44 0.00 0.00 0.00 175.10 176.87 3kxc h ASP 114 N 7.40 0.15 -5.00 3.32 3.32 -1.95 -3.38 116.42 120.27 3kxc h ASP 114 Ca -0.32 -0.29 -0.14 0.00 0.02 0.00 0.00 57.03 56.29 3kxc h ASP 114 Cb 1.16 -0.05 -0.20 0.00 0.22 0.00 0.00 39.33 40.46 3kxc h ASP 114 CO 0.44 1.26 -0.52 -0.36 -1.72 0.00 0.00 179.24 178.34 3kxc s PHE 115 N -2.60 0.09 0.16 4.55 0.40 -1.26 -5.02 117.98 114.30 3kxc s PHE 115 Ca -0.09 -0.24 0.10 0.00 -0.60 0.00 0.00 56.93 56.10 3kxc s PHE 115 Cb 0.08 -0.08 -0.04 0.00 0.51 0.00 0.00 43.02 43.49 3kxc s PHE 115 CO 0.82 -0.29 -0.22 0.14 0.70 0.00 0.00 175.22 176.36 3kxc s VAL 116 N -1.61 2.06 0.11 -0.44 -7.23 -1.26 -5.14 120.40 106.89 3kxc s VAL 116 Ca -0.13 -1.85 -0.23 0.00 -1.81 0.00 0.00 61.98 57.95 3kxc s VAL 116 Cb -0.07 -1.91 -0.07 0.00 0.56 0.00 0.00 36.38 34.89 3kxc s VAL 116 CO 0.00 -0.12 0.71 -1.61 -0.31 0.00 0.00 175.10 173.77 3kxc s GLU 117 N -2.43 4.44 -0.06 4.82 2.02 -1.26 -5.08 118.70 121.15 3kxc s GLU 117 Ca 0.15 1.00 -0.01 0.00 0.02 0.00 0.00 54.97 56.14 3kxc s GLU 117 Cb -0.08 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 3kxc s GLU 117 CO 0.07 0.52 0.00 -0.51 0.02 0.00 0.00 175.26 175.36 3kxc s LEU 118 N -0.85 3.56 0.66 1.80 1.43 -1.26 -3.81 118.68 120.21 3kxc s LEU 118 Ca 0.34 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.43 3kxc s LEU 118 Cb -0.21 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 3kxc s LEU 118 CO 0.23 0.35 1.05 -2.16 0.23 0.00 0.00 176.35 176.05 3kxc s PRO 119 N -1.06 3.22 0.05 1.29 0.04 -1.26 -5.09 135.00 132.18 3kxc s PRO 119 Ca 0.15 0.77 -0.31 0.00 0.04 0.00 0.00 61.00 61.66 3kxc s PRO 119 Cb -0.11 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 3kxc s PRO 119 CO 0.04 -0.85 1.61 0.34 0.04 0.00 0.00 177.00 178.18 3kxc s ASP 120 N -4.06 6.65 -0.03 6.66 2.15 -1.25 -4.86 116.67 121.93 3kxc s ASP 120 Ca 0.57 2.41 0.04 0.00 0.43 0.00 0.00 52.55 56.00 3kxc s ASP 120 Cb -0.12 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 40.00 3kxc s ASP 120 CO 0.54 -0.86 0.95 0.59 -0.17 0.00 0.00 175.17 176.22 3kxc n ASN 121 N 5.64 1.61 -2.78 -0.34 3.02 -1.26 -4.84 115.26 116.31 3kxc n ASN 121 Ca 0.15 -2.07 -0.11 0.00 -0.03 0.00 0.00 54.58 52.53 3kxc n ASN 121 Cb 0.41 -0.11 0.02 0.00 -0.61 0.00 0.00 39.78 39.50 3kxc n ASN 121 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3kxc n HIS 122 N -0.59 0.62 -0.07 3.10 8.25 -1.26 -4.94 115.22 120.34 3kxc n HIS 122 Ca 0.03 -2.94 0.03 0.00 -0.26 0.00 0.00 57.72 54.58 3kxc n HIS 122 Cb 0.40 -0.22 0.37 0.00 1.12 0.00 0.00 29.99 31.67 3kxc n HIS 122 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3kxc h SER 123 N 2.93 0.59 0.69 0.41 4.64 -2.01 -2.02 113.55 118.79 3kxc h SER 123 Ca -0.07 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3kxc h SER 123 Cb 1.14 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3kxc h SER 123 CO 0.45 0.43 -0.24 -1.20 -0.87 0.00 0.00 176.83 175.40 3kxc n SER 124 N -4.46 0.29 -4.71 4.97 7.64 -1.26 -4.89 113.62 111.21 3kxc n SER 124 Ca 0.05 0.02 -0.42 0.00 1.01 0.00 0.00 58.87 59.53 3kxc n SER 124 Cb 0.05 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 3kxc n SER 124 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3kxc s LEU 125 N -2.94 4.35 -0.71 -3.43 2.96 -0.76 -4.73 118.68 113.42 3kxc s LEU 125 Ca 0.14 2.05 -0.15 0.00 -0.22 0.00 0.00 54.13 55.96 3kxc s LEU 125 Cb 0.18 -3.58 0.18 0.00 0.50 0.00 0.00 46.19 43.48 3kxc s LEU 125 CO 0.60 -0.54 0.67 -0.63 -1.32 0.00 0.00 176.35 175.12 3kxc s ILE 126 N 1.38 5.41 0.31 6.68 1.01 -1.26 -4.95 121.20 129.77 3kxc s ILE 126 Ca 0.60 -2.02 0.05 0.00 0.00 0.00 0.00 60.65 59.28 3kxc s ILE 126 Cb -0.30 -4.43 0.30 0.00 0.01 0.00 0.00 42.46 38.04 3kxc s ILE 126 CO 0.28 -0.98 1.82 1.88 0.00 0.00 0.00 174.94 177.94 3kxc h TYR 127 N 8.29 1.05 -0.55 3.97 -1.99 -1.96 -1.48 116.97 124.29 3kxc h TYR 127 Ca -0.07 0.03 -0.33 0.00 2.00 0.00 0.00 58.73 60.36 3kxc h TYR 127 Cb 1.07 -0.33 -0.20 0.00 2.00 0.00 0.00 36.73 39.27 3kxc h TYR 127 CO 0.91 0.34 -0.02 0.43 -0.00 0.00 0.00 178.16 179.83 3kxc n SER 128 N -4.66 3.57 0.32 3.88 7.64 -1.26 -4.72 113.62 118.40 3kxc n SER 128 Ca 0.20 -3.78 0.20 0.00 1.01 0.00 0.00 58.87 56.51 3kxc n SER 128 Cb 0.47 -0.65 1.08 0.00 -1.01 0.00 0.00 64.21 64.10 3kxc n SER 128 CO 0.00 0.00 0.00 -1.13 -3.01 0.00 0.00 175.04 170.90 3kxc h ASN 129 N 1.30 0.00 -0.91 6.43 -0.00 -1.64 -1.26 115.58 119.51 3kxc h ASN 129 Ca 0.33 0.00 0.07 0.00 -0.00 0.00 0.00 56.30 56.71 3kxc h ASN 129 Cb 1.66 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 39.92 3kxc h ASN 129 CO 0.66 0.00 0.59 0.25 -0.00 0.00 0.00 177.43 178.93 3kxc h LEU 130 N 0.00 0.89 -1.44 0.34 6.46 -1.85 -2.05 115.31 117.65 3kxc h LEU 130 Ca 0.01 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.76 3kxc h LEU 130 Cb 0.10 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.83 3kxc h LEU 130 CO -0.00 0.56 0.18 0.25 -0.62 0.00 0.00 178.44 178.81 3kxc h LEU 131 N 1.00 0.50 -0.56 2.25 5.85 -1.54 0.19 115.31 122.99 3kxc h LEU 131 Ca 0.40 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.97 3kxc h LEU 131 Cb 0.25 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3kxc h LEU 131 CO -0.16 0.44 -0.08 0.00 -0.34 0.00 0.00 178.44 178.30 3kxc h GLY 133 N 0.93 0.28 0.06 0.00 0.00 -1.08 -1.65 103.07 101.61 3kxc h GLY 133 Ca 0.15 -0.15 0.06 0.00 0.00 0.00 0.00 47.33 47.39 3kxc h GLY 133 CO 0.04 0.14 -0.29 -2.08 0.00 0.00 0.00 176.54 174.35 3kxc h VAL 134 N 0.13 0.31 -0.39 4.60 2.07 -0.55 0.12 116.25 122.53 3kxc h VAL 134 Ca 0.06 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.64 3kxc h VAL 134 Cb 0.17 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 3kxc h VAL 134 CO -0.00 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.56 3kxc h LEU 135 N -0.30 -0.06 -0.24 2.57 3.38 -1.19 -0.38 115.31 119.10 3kxc h LEU 135 Ca 0.13 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3kxc h LEU 135 Cb 0.51 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3kxc h LEU 135 CO -0.42 0.01 0.09 -0.09 0.09 0.00 0.00 178.44 178.12 3kxc h ARG 136 N 0.17 0.36 -0.61 1.13 2.43 -0.72 -2.16 114.38 114.96 3kxc h ARG 136 Ca 0.19 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3kxc h ARG 136 Cb 0.25 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 3kxc h ARG 136 CO -0.28 0.41 0.27 0.78 -1.51 0.00 0.00 179.97 179.64 3kxc h GLY 137 N 0.23 0.97 1.27 2.80 0.00 -0.55 0.08 103.07 107.86 3kxc h GLY 137 Ca 0.08 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 3kxc h GLY 137 CO -0.01 0.48 -0.25 0.00 0.00 0.00 0.00 176.54 176.77 3kxc h ALA 138 N 1.11 0.80 -0.03 3.60 0.00 -1.05 -2.99 119.26 120.70 3kxc h ALA 138 Ca 0.21 -0.39 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 3kxc h ALA 138 Cb 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3kxc h ALA 138 CO -0.02 0.65 -0.83 -0.07 0.00 0.00 0.00 179.25 178.98 3kxc h LEU 139 N 0.72 0.40 -1.22 0.00 3.38 -1.17 -2.96 115.31 114.46 3kxc h LEU 139 Ca 0.09 -0.30 0.15 0.00 0.09 0.00 0.00 57.88 57.91 3kxc h LEU 139 Cb 0.78 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 3kxc h LEU 139 CO 0.06 1.07 0.59 -0.08 0.09 0.00 0.00 178.44 180.17 3kxc h GLU 140 N 0.20 0.72 0.00 1.13 4.81 -0.76 -0.44 114.58 120.25 3kxc h GLU 140 Ca -0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3kxc h GLU 140 Cb 1.43 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3kxc h GLU 140 CO 0.14 0.48 0.00 0.52 -0.73 0.00 0.00 179.01 179.42 3kxc h MET 141 N 0.75 0.00 -0.60 1.92 2.86 -1.37 -1.61 114.93 116.87 3kxc h MET 141 Ca 0.47 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.91 3kxc h MET 141 Cb 0.71 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.25 3kxc h MET 141 CO -0.23 0.00 0.20 1.33 1.06 0.00 0.00 176.91 179.27 3kxc n VAL 142 N -2.72 2.78 -1.61 -2.22 0.24 -0.28 -4.95 118.33 109.57 3kxc n VAL 142 Ca 0.01 -1.94 -0.09 0.00 -2.04 0.00 0.00 64.34 60.28 3kxc n VAL 142 Cb 0.28 -0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 32.28 3kxc n VAL 142 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kxc n GLN 143 N -0.53 -0.68 -3.94 7.34 3.00 -0.60 -4.99 117.38 116.99 3kxc n GLN 143 Ca 0.38 0.68 -0.35 0.00 -0.01 0.00 0.00 57.00 57.70 3kxc n GLN 143 Cb 1.26 -4.62 -0.14 0.00 0.00 0.00 0.00 30.24 26.74 3kxc n GLN 143 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 3kxc s MET 144 N -3.42 2.66 -0.28 -1.09 -1.94 -0.56 -0.17 119.30 114.50 3kxc s MET 144 Ca 0.00 -1.10 -0.29 0.00 -1.71 0.00 0.00 55.69 52.59 3kxc s MET 144 Cb 0.00 -3.07 0.01 0.00 2.01 0.00 0.00 34.83 33.77 3kxc s MET 144 CO 0.00 -0.50 1.20 0.00 -0.01 0.00 0.00 175.02 175.71 3kxc s ALA 145 N 1.29 3.48 0.26 3.03 0.00 0.05 -2.68 121.76 127.20 3kxc s ALA 145 Ca -0.02 0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.06 3kxc s ALA 145 Cb -0.18 -3.70 -0.05 0.00 0.00 0.00 0.00 23.12 19.19 3kxc s ALA 145 CO -0.03 -1.53 0.08 0.14 0.00 0.00 0.00 175.76 174.43 3kxc s VAL 146 N 3.90 0.67 -0.06 0.00 -7.23 -1.26 -0.45 120.40 115.97 3kxc s VAL 146 Ca 0.51 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.71 3kxc s VAL 146 Cb -0.16 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.16 3kxc s VAL 146 CO 0.18 -0.03 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.09 3kxc s GLU 147 N -4.00 1.90 -0.06 4.82 2.12 -0.27 -4.89 118.70 118.31 3kxc s GLU 147 Ca 0.37 -0.52 0.04 0.00 0.36 0.00 0.00 54.97 55.22 3kxc s GLU 147 Cb 0.08 -1.55 -0.02 0.00 0.26 0.00 0.00 34.13 32.90 3kxc s GLU 147 CO 0.13 0.10 -0.19 0.00 -0.54 0.00 0.00 175.26 174.76 3kxc s ALA 148 N 0.46 2.42 -0.20 6.30 0.00 -1.26 -0.85 121.76 128.63 3kxc s ALA 148 Ca -0.12 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 50.71 3kxc s ALA 148 Cb -0.15 -0.86 0.06 0.00 0.00 0.00 0.00 23.12 22.18 3kxc s ALA 148 CO 0.04 0.45 0.50 0.21 0.00 0.00 0.00 175.76 176.97 3kxc s LYS 149 N -0.34 0.51 -0.01 0.00 2.20 -0.43 -4.87 119.74 116.79 3kxc s LYS 149 Ca 0.02 0.90 -0.30 0.00 -0.36 0.00 0.00 55.97 56.23 3kxc s LYS 149 Cb -0.12 0.06 -0.06 0.00 -1.51 0.00 0.00 37.83 36.20 3kxc s LYS 149 CO 0.02 -0.14 1.51 -0.06 -0.36 0.00 0.00 175.35 176.32 3kxc s PHE 150 N 1.32 2.54 -0.20 4.03 0.40 -1.26 0.01 117.98 124.82 3kxc s PHE 150 Ca -0.08 0.56 0.07 0.00 -0.60 0.00 0.00 56.93 56.88 3kxc s PHE 150 Cb -0.07 -3.79 -0.10 0.00 0.51 0.00 0.00 43.02 39.58 3kxc s PHE 150 CO -0.13 -3.07 0.25 1.33 0.70 0.00 0.00 175.22 174.29 3kxc n VAL 151 N 4.91 0.00 -4.00 -0.44 0.24 0.69 -4.92 118.33 114.81 3kxc n VAL 151 Ca 0.15 -0.26 -0.09 0.00 -2.04 0.00 0.00 64.34 62.10 3kxc n VAL 151 Cb 0.43 0.70 -0.11 0.00 -1.47 0.00 0.00 33.84 33.39 3kxc n VAL 151 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 3kxc s GLN 152 N -2.06 0.35 -0.14 7.34 -0.21 -1.10 -4.93 119.66 118.91 3kxc s GLN 152 Ca 0.00 -0.67 -0.07 0.00 0.02 0.00 0.00 55.36 54.64 3kxc s GLN 152 Cb 0.05 0.09 0.06 0.00 1.00 0.00 0.00 33.01 34.21 3kxc s GLN 152 CO 0.31 -0.05 0.33 0.34 -2.12 0.00 0.00 175.29 174.10 3kxc s ASP 153 N -1.59 -0.21 0.42 5.90 2.15 -1.21 -0.86 116.67 121.27 3kxc s ASP 153 Ca -0.14 0.72 0.10 0.00 0.43 0.00 0.00 52.55 53.67 3kxc s ASP 153 Cb -0.08 0.72 0.94 0.00 -0.30 0.00 0.00 42.92 44.20 3kxc s ASP 153 CO -0.02 -0.20 2.02 0.71 -0.17 0.00 0.00 175.17 177.51 3kxc h THR 154 N 5.91 1.00 0.00 1.71 1.35 -1.71 0.09 112.91 121.26 3kxc h THR 154 Ca -0.30 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3kxc h THR 154 Cb 1.15 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3kxc h THR 154 CO 0.26 0.09 0.00 0.18 -0.25 0.00 0.00 175.52 175.80 3kxc n LEU 155 N -4.47 0.22 -1.04 3.87 4.77 -1.26 -1.08 117.00 118.01 3kxc n LEU 155 Ca 0.07 0.55 0.10 0.00 -0.03 0.00 0.00 56.01 56.70 3kxc n LEU 155 Cb 0.21 -0.52 0.21 0.00 -2.33 0.00 0.00 43.42 40.99 3kxc n LEU 155 CO 0.34 -0.35 0.68 0.29 -1.33 0.00 0.00 177.39 177.02 3kxc n LYS 156 N -1.74 2.44 -0.20 3.23 4.76 -0.06 -4.95 118.16 121.62 3kxc n LYS 156 Ca 0.03 -2.23 0.00 0.00 -2.87 0.00 0.00 58.31 53.24 3kxc n LYS 156 Cb 0.19 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 3kxc n LYS 156 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kxc n GLY 157 N 1.28 0.84 3.87 0.72 0.00 -0.24 -4.97 105.19 106.69 3kxc n GLY 157 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3kxc n GLY 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kxc s ASP 158 N -2.21 6.28 0.24 1.61 1.01 -0.69 -4.98 116.67 117.93 3kxc s ASP 158 Ca 0.00 1.36 -0.04 0.00 0.71 0.00 0.00 52.55 54.58 3kxc s ASP 158 Cb 0.00 -2.44 0.26 0.00 1.01 0.00 0.00 42.92 41.75 3kxc s ASP 158 CO 0.00 -0.79 1.73 1.23 0.21 0.00 0.00 175.17 177.55 3kxc h GLY 159 N -0.09 0.96 -2.28 0.21 0.00 -1.92 -3.36 103.07 96.58 3kxc h GLY 159 Ca -0.45 -0.65 -0.39 0.00 0.00 0.00 0.00 47.33 45.84 3kxc h GLY 159 CO 0.62 0.60 -0.63 -1.34 0.00 0.00 0.00 176.54 175.79 3kxc s VAL 160 N -5.04 0.90 -0.13 4.60 -7.23 -1.26 -4.90 120.40 107.34 3kxc s VAL 160 Ca -0.10 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 57.95 3kxc s VAL 160 Cb 0.14 -2.59 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 3kxc s VAL 160 CO 0.82 -0.11 0.23 -0.89 -0.31 0.00 0.00 175.10 174.85 3kxc s THR 161 N -3.51 5.34 -0.07 5.32 2.01 0.22 -3.32 115.64 121.62 3kxc s THR 161 Ca 0.34 0.42 -0.01 0.00 0.31 0.00 0.00 61.69 62.76 3kxc s THR 161 Cb 0.07 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 69.07 3kxc s THR 161 CO 0.13 0.51 -0.02 -0.70 -0.69 0.00 0.00 174.62 173.85 3kxc s GLU 162 N -0.33 0.78 -0.30 4.92 2.12 -0.04 -0.44 118.70 125.42 3kxc s GLU 162 Ca 0.16 0.01 -0.09 0.00 0.36 0.00 0.00 54.97 55.41 3kxc s GLU 162 Cb -0.13 -1.03 -0.02 0.00 0.26 0.00 0.00 34.13 33.21 3kxc s GLU 162 CO 0.04 -0.25 0.14 0.42 -0.54 0.00 0.00 175.26 175.07 3kxc s ILE 163 N 1.72 4.63 0.03 -3.70 1.01 -0.29 -0.22 121.20 124.38 3kxc s ILE 163 Ca 0.02 -0.31 -0.22 0.00 0.00 0.00 0.00 60.65 60.14 3kxc s ILE 163 Cb -0.13 -3.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.98 3kxc s ILE 163 CO -0.05 0.14 0.67 -0.60 0.00 0.00 0.00 174.94 175.10 3kxc s ARG 164 N 1.63 4.39 -0.14 2.79 6.06 0.10 -0.36 118.95 133.42 3kxc s ARG 164 Ca 0.05 0.88 0.02 0.00 -2.50 0.00 0.00 55.73 54.19 3kxc s ARG 164 Cb -0.17 -3.33 0.01 0.00 0.06 0.00 0.00 34.95 31.52 3kxc s ARG 164 CO 0.06 0.38 -0.21 -1.64 -2.50 0.00 0.00 175.30 171.39 3kxc s MET 165 N -0.30 2.94 -0.08 5.12 -1.94 0.56 -1.31 119.30 124.28 3kxc s MET 165 Ca 0.34 -0.82 0.05 0.00 -1.71 0.00 0.00 55.69 53.54 3kxc s MET 165 Cb -0.20 -2.38 -0.00 0.00 2.01 0.00 0.00 34.83 34.26 3kxc s MET 165 CO 0.20 -0.02 -0.24 1.03 -0.01 0.00 0.00 175.02 175.98 3kxc s ARG 166 N 0.83 2.80 -0.26 2.03 0.52 -0.03 -1.47 118.95 123.38 3kxc s ARG 166 Ca -0.07 -0.86 -0.23 0.00 -0.52 0.00 0.00 55.73 54.04 3kxc s ARG 166 Cb -0.15 -2.20 -0.01 0.00 0.52 0.00 0.00 34.95 33.11 3kxc s ARG 166 CO -0.02 0.24 0.77 0.12 0.02 0.00 0.00 175.30 176.44 3kxc s PHE 167 N 0.17 3.29 -0.16 -0.53 5.36 0.50 -1.11 117.98 125.50 3kxc s PHE 167 Ca -0.13 1.00 -0.13 0.00 -0.96 0.00 0.00 56.93 56.71 3kxc s PHE 167 Cb -0.16 -3.02 -0.05 0.00 -0.34 0.00 0.00 43.02 39.44 3kxc s PHE 167 CO 0.07 -0.41 -0.21 -0.89 -1.46 0.00 0.00 175.22 172.33 3kxc n ILE 168 N 5.28 1.45 -3.77 3.12 2.08 0.40 -4.92 119.36 123.00 3kxc n ILE 168 Ca 0.04 0.16 -0.10 0.00 0.56 0.00 0.00 62.75 63.41 3kxc n ILE 168 Cb 0.48 -2.34 -0.06 0.00 -0.75 0.00 0.00 39.64 36.97 3kxc n ILE 168 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3kxc s ARG 169 N -2.45 1.04 0.33 0.38 0.52 -1.07 -5.02 118.95 112.67 3kxc s ARG 169 Ca -0.21 -0.88 -0.18 0.00 -0.52 0.00 0.00 55.73 53.94 3kxc s ARG 169 Cb 0.03 0.42 -0.09 0.00 0.52 0.00 0.00 34.95 35.83 3kxc s ARG 169 CO 0.31 -0.38 0.80 1.03 0.02 0.00 0.00 175.30 177.08 3kxc s ARG 170 N -3.86 4.14 0.00 3.54 0.52 -1.26 -0.77 118.95 121.26 3kxc s ARG 170 Ca 0.06 0.86 0.25 0.00 -0.52 0.00 0.00 55.73 56.38 3kxc s ARG 170 Cb 0.03 -2.47 0.41 0.00 0.52 0.00 0.00 34.95 33.44 3kxc s ARG 170 CO -0.09 0.16 1.39 -0.89 0.02 0.00 0.00 175.30 175.89