#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kxx s VAL 2 N 0.00 5.18 0.55 3.15 1.01 -1.26 -1.75 120.40 127.28 1kxx s VAL 2 Ca 0.00 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 1kxx s VAL 2 Cb 0.00 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 1kxx s VAL 2 CO 0.00 -0.53 1.09 -0.36 0.00 0.00 0.00 175.10 175.30 1kxx s PHE 3 N 1.84 2.78 0.32 5.22 0.40 0.24 -4.99 117.98 123.79 1kxx s PHE 3 Ca 0.07 1.55 -0.06 0.00 -0.60 0.00 0.00 56.93 57.89 1kxx s PHE 3 Cb -0.22 -3.18 -0.05 0.00 0.51 0.00 0.00 43.02 40.08 1kxx s PHE 3 CO 0.09 -1.34 0.59 0.20 0.70 0.00 0.00 175.22 175.46 1kxx s GLY 4 N -2.06 1.83 0.11 4.36 0.00 -1.26 -4.83 107.32 105.47 1kxx s GLY 4 Ca 0.69 -0.52 -0.31 0.00 0.00 0.00 0.00 44.72 44.58 1kxx s GLY 4 CO 0.28 -0.40 1.51 -0.09 0.00 0.00 0.00 173.10 174.40 1kxx h ARG 5 N 1.52 -0.48 -0.20 2.90 2.43 -1.96 0.09 114.38 118.67 1kxx h ARG 5 Ca -0.48 0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 58.62 1kxx h ARG 5 Cb 1.19 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 1kxx h ARG 5 CO 0.65 -0.32 -0.33 0.00 -1.51 0.00 0.00 179.97 178.46 1kxx h GLU 7 N 0.36 0.37 -0.39 0.00 4.81 -1.89 -1.92 114.58 115.92 1kxx h GLU 7 Ca 0.04 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1kxx h GLU 7 Cb 0.75 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1kxx h GLU 7 CO 0.06 0.26 0.02 1.25 -0.73 0.00 0.00 179.01 179.87 1kxx h LEU 8 N 0.37 0.66 -0.77 1.64 5.85 -0.85 -2.36 115.31 119.85 1kxx h LEU 8 Ca 0.10 -0.29 0.08 0.00 0.84 0.00 0.00 57.88 58.61 1kxx h LEU 8 Cb -0.03 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 1kxx h LEU 8 CO -0.02 0.79 0.43 0.00 -0.34 0.00 0.00 178.44 179.29 1kxx h ALA 9 N 0.89 1.07 -0.33 1.25 0.00 -1.15 -1.03 119.26 119.96 1kxx h ALA 9 Ca 0.11 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1kxx h ALA 9 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1kxx h ALA 9 CO 0.02 0.06 -0.35 0.00 0.00 0.00 0.00 179.25 178.98 1kxx h ALA 10 N 1.42 0.77 -0.60 0.00 0.00 -1.27 -0.95 119.26 118.64 1kxx h ALA 10 Ca 0.36 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1kxx h ALA 10 Cb 0.32 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1kxx h ALA 10 CO -0.24 0.65 -0.00 0.00 0.00 0.00 0.00 179.25 179.66 1kxx h ALA 11 N 0.99 0.81 -0.46 0.00 0.00 -0.96 -1.25 119.26 118.39 1kxx h ALA 11 Ca 0.06 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1kxx h ALA 11 Cb 0.88 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1kxx h ALA 11 CO 0.08 0.66 -0.25 0.52 0.00 0.00 0.00 179.25 180.26 1kxx h MET 12 N 0.97 0.99 -0.14 0.00 2.86 -1.14 -2.06 114.93 116.41 1kxx h MET 12 Ca 0.17 -0.44 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1kxx h MET 12 Cb 0.57 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1kxx h MET 12 CO 0.03 1.12 0.09 -0.22 1.06 0.00 0.00 176.91 178.99 1kxx h LYS 13 N 0.84 0.18 -0.78 1.72 3.64 -0.95 -0.98 116.57 120.23 1kxx h LYS 13 Ca 0.10 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 1kxx h LYS 13 Cb 0.83 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.57 1kxx h LYS 13 CO 0.07 0.14 0.51 -0.09 -2.27 0.00 0.00 179.45 177.82 1kxx h ARG 14 N 0.17 0.88 -0.46 1.90 2.43 -1.18 0.93 114.38 119.05 1kxx h ARG 14 Ca 0.05 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1kxx h ARG 14 Cb -0.00 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1kxx h ARG 14 CO -0.01 0.58 0.00 0.72 -1.51 0.00 0.00 179.97 179.75 1kxx n HIS 15 N -4.47 0.09 -1.87 2.20 8.25 -0.78 -4.87 115.22 113.76 1kxx n HIS 15 Ca 0.11 -0.03 -0.11 0.00 -0.26 0.00 0.00 57.72 57.42 1kxx n HIS 15 Cb 0.16 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 1kxx n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kxx n GLY 16 N 0.33 0.41 0.09 -1.41 0.00 0.32 -4.95 105.19 99.98 1kxx n GLY 16 Ca 0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 46.02 45.54 1kxx n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kxx h LEU 17 N 0.00 0.00 -9.32 0.99 3.38 -1.35 -3.40 115.31 105.60 1kxx h LEU 17 Ca -0.25 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.19 1kxx h LEU 17 Cb 1.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.78 1kxx h LEU 17 CO 0.32 0.76 1.24 0.54 0.09 0.00 0.00 178.44 181.38 1kxx s ASN 18 N -6.16 6.41 -1.33 -0.43 2.20 -1.26 -1.00 114.94 113.37 1kxx s ASN 18 Ca -0.01 2.57 0.00 0.00 -0.94 0.00 0.00 52.86 54.48 1kxx s ASN 18 Cb 0.09 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.81 1kxx s ASN 18 CO 0.81 -1.10 0.00 0.59 -2.94 0.00 0.00 177.10 174.45 1kxx n ASN 19 N 7.78 -4.48 -4.67 3.54 4.13 0.13 -4.89 115.26 116.79 1kxx n ASN 19 Ca 0.20 0.29 -0.43 0.00 1.68 0.00 0.00 54.58 56.32 1kxx n ASN 19 Cb 0.42 -3.15 -0.02 0.00 -1.54 0.00 0.00 39.78 35.48 1kxx n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1kxx s TYR 20 N -2.48 2.80 -1.59 3.10 6.14 -0.17 -1.77 117.35 123.37 1kxx s TYR 20 Ca 0.00 0.93 0.00 0.00 0.64 0.00 0.00 57.07 58.64 1kxx s TYR 20 Cb 0.00 -3.55 0.00 0.00 0.42 0.00 0.00 41.96 38.83 1kxx s TYR 20 CO 0.00 -1.95 0.00 0.54 0.64 0.00 0.00 175.55 174.78 1kxx n ARG 21 N 6.35 -1.31 -0.98 4.97 3.00 -1.26 -2.11 116.66 125.32 1kxx n ARG 21 Ca 0.14 0.93 0.00 0.00 -0.01 0.00 0.00 57.85 58.90 1kxx n ARG 21 Cb 0.45 -5.30 0.00 0.00 0.00 0.00 0.00 32.46 27.60 1kxx n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1kxx n GLY 22 N -0.97 0.67 3.67 -0.13 0.00 -0.73 -5.02 105.19 102.69 1kxx n GLY 22 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 1kxx n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kxx s TYR 23 N -2.66 3.33 0.89 1.61 2.02 -0.90 -4.89 117.35 116.77 1kxx s TYR 23 Ca 0.00 0.29 -0.11 0.00 -0.37 0.00 0.00 57.07 56.88 1kxx s TYR 23 Cb 0.00 -2.29 0.13 0.00 -0.40 0.00 0.00 41.96 39.39 1kxx s TYR 23 CO 0.00 0.08 1.09 -1.54 -1.57 0.00 0.00 175.55 173.61 1kxx s SER 24 N 0.98 3.47 0.42 2.29 1.04 -1.26 0.17 113.70 120.80 1kxx s SER 24 Ca 0.09 1.63 0.08 0.00 0.48 0.00 0.00 55.95 58.23 1kxx s SER 24 Cb -0.13 -2.29 0.90 0.00 0.10 0.00 0.00 66.02 64.59 1kxx s SER 24 CO 0.04 -2.66 2.07 0.25 0.98 0.00 0.00 173.24 173.91 1kxx h LEU 25 N -1.57 0.41 -0.75 2.42 5.85 -1.90 -0.37 115.31 119.41 1kxx h LEU 25 Ca -0.48 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 1kxx h LEU 25 Cb 1.27 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1kxx h LEU 25 CO 0.52 0.31 0.43 1.23 -0.34 0.00 0.00 178.44 180.59 1kxx h GLY 26 N 0.50 1.10 0.99 3.75 0.00 -1.92 -0.53 103.07 106.97 1kxx h GLY 26 Ca 0.13 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1kxx h GLY 26 CO -0.03 0.46 0.22 -0.55 0.00 0.00 0.00 176.54 176.64 1kxx h ASP 27 N 1.03 0.41 -0.57 0.19 3.32 -1.31 -1.52 116.42 117.95 1kxx h ASP 27 Ca 0.27 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 1kxx h ASP 27 Cb -0.00 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1kxx h ASP 27 CO -0.05 0.32 0.03 -0.50 -1.72 0.00 0.00 179.24 177.32 1kxx h TRP 28 N 0.46 1.09 -0.28 4.55 4.06 -1.19 -1.13 115.95 123.50 1kxx h TRP 28 Ca 0.13 -0.17 -0.16 0.00 2.06 0.00 0.00 58.89 60.74 1kxx h TRP 28 Cb -0.02 -0.29 -0.00 0.00 -1.00 0.00 0.00 29.16 27.84 1kxx h TRP 28 CO -0.05 0.95 -0.47 0.28 -3.56 0.00 0.00 178.44 175.60 1kxx h VAL 29 N 0.94 1.29 -0.42 1.49 2.07 -1.04 -1.98 116.25 118.60 1kxx h VAL 29 Ca 0.18 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 1kxx h VAL 29 Cb 0.50 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1kxx h VAL 29 CO 0.02 0.54 0.23 0.00 0.02 0.00 0.00 177.57 178.38 1kxx h ALA 31 N 1.08 0.53 -0.70 0.00 0.00 -1.16 -2.12 119.26 116.90 1kxx h ALA 31 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1kxx h ALA 31 Cb 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1kxx h ALA 31 CO -0.02 0.03 0.29 0.00 0.00 0.00 0.00 179.25 179.54 1kxx h ALA 32 N 1.11 1.19 0.17 0.00 0.00 -1.16 0.12 119.26 120.69 1kxx h ALA 32 Ca 0.15 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1kxx h ALA 32 Cb 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1kxx h ALA 32 CO -0.03 0.59 -0.26 -0.22 0.00 0.00 0.00 179.25 179.34 1kxx h LYS 33 N 1.01 -0.48 0.00 0.00 1.63 -0.85 -0.04 116.57 117.85 1kxx h LYS 33 Ca 0.24 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1kxx h LYS 33 Cb 0.18 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1kxx h LYS 33 CO -0.02 -0.32 -0.20 1.19 -3.45 0.00 0.00 179.45 176.65 1kxx n PHE 34 N -5.38 0.56 -0.02 1.91 3.72 -0.83 -0.69 117.46 116.74 1kxx n PHE 34 Ca -0.07 0.16 -0.20 0.00 -0.05 0.00 0.00 57.45 57.29 1kxx n PHE 34 Cb 0.29 -0.72 -0.13 0.00 -0.94 0.00 0.00 39.48 37.97 1kxx n PHE 34 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1kxx h GLU 35 N 0.00 0.16 0.00 -1.08 4.39 -0.56 -3.44 114.58 114.06 1kxx h GLU 35 Ca 0.00 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1kxx h GLU 35 Cb 0.67 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1kxx h GLU 35 CO 0.00 1.13 0.00 -1.13 -1.16 0.00 0.00 179.01 177.85 1kxx n SER 36 N -4.15 0.32 -2.21 1.42 3.41 -0.07 -4.86 113.62 107.49 1kxx n SER 36 Ca -0.23 -0.91 -0.17 0.00 -0.26 0.00 0.00 58.87 57.30 1kxx n SER 36 Cb 0.79 0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.79 1kxx n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1kxx n ASN 37 N -0.04 -5.09 -0.54 4.04 5.15 0.14 -2.15 115.26 116.77 1kxx n ASN 37 Ca 0.00 -0.14 -0.07 0.00 -0.60 0.00 0.00 54.58 53.77 1kxx n ASN 37 Cb 0.14 -4.05 -0.03 0.00 -0.53 0.00 0.00 39.78 35.31 1kxx n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1kxx n PHE 38 N -4.16 0.00 -3.58 1.20 3.72 -1.20 -4.84 117.46 108.60 1kxx n PHE 38 Ca -0.14 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.87 1kxx n PHE 38 Cb 0.62 -1.72 -0.11 0.00 -0.94 0.00 0.00 39.48 37.33 1kxx n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1kxx s ASN 39 N -2.55 5.92 0.52 4.37 2.47 -0.91 -0.60 114.94 124.16 1kxx s ASN 39 Ca 0.00 -0.31 0.29 0.00 0.42 0.00 0.00 52.86 53.25 1kxx s ASN 39 Cb 0.00 -2.10 1.42 0.00 -1.45 0.00 0.00 41.25 39.13 1kxx s ASN 39 CO 0.00 -0.17 2.04 0.71 -3.72 0.00 0.00 177.10 175.97 1kxx h THR 40 N 5.49 0.46 -0.33 -5.21 1.35 -1.66 -2.86 112.91 110.15 1kxx h THR 40 Ca -0.33 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1kxx h THR 40 Cb 1.17 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1kxx h THR 40 CO 0.60 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 175.99 1kxx n GLN 41 N -3.49 1.95 -2.14 4.72 6.02 -1.26 -3.94 117.38 119.24 1kxx n GLN 41 Ca -0.01 -1.46 -0.41 0.00 -0.01 0.00 0.00 57.00 55.10 1kxx n GLN 41 Cb 0.27 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 1kxx n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1kxx s ALA 42 N -1.57 3.55 -0.00 -1.58 0.00 -1.08 -4.84 121.76 116.24 1kxx s ALA 42 Ca 0.31 1.20 -0.03 0.00 0.00 0.00 0.00 51.96 53.44 1kxx s ALA 42 Cb 0.17 -3.50 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 1kxx s ALA 42 CO 0.23 -0.61 0.06 0.95 0.00 0.00 0.00 175.76 176.40 1kxx s THR 43 N -0.21 0.07 -0.15 0.00 -4.23 -1.26 -0.61 115.64 109.25 1kxx s THR 43 Ca 0.56 -0.56 -0.07 0.00 -1.18 0.00 0.00 61.69 60.43 1kxx s THR 43 Cb -0.39 -0.28 0.06 0.00 1.34 0.00 0.00 72.50 73.23 1kxx s THR 43 CO 0.43 -0.31 0.34 0.20 -0.54 0.00 0.00 174.62 174.74 1kxx s ASN 44 N -0.99 -0.28 0.13 3.99 0.01 -0.78 -4.96 114.94 112.06 1kxx s ASN 44 Ca -0.11 0.75 -0.18 0.00 -0.71 0.00 0.00 52.86 52.62 1kxx s ASN 44 Cb -0.06 0.73 -0.07 0.00 0.41 0.00 0.00 41.25 42.25 1kxx s ASN 44 CO 0.00 -0.20 0.60 -0.60 -1.51 0.00 0.00 177.10 175.39 1kxx s ARG 45 N 1.66 4.13 0.36 -0.60 3.52 -1.26 0.19 118.95 126.95 1kxx s ARG 45 Ca -0.07 0.68 0.07 0.00 -0.13 0.00 0.00 55.73 56.28 1kxx s ARG 45 Cb -0.10 -3.05 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 1kxx s ARG 45 CO -0.11 0.53 0.46 -0.80 -0.81 0.00 0.00 175.30 174.56 1kxx s ASN 46 N -1.45 5.75 0.41 -2.12 0.01 0.78 -4.95 114.94 113.36 1kxx s ASN 46 Ca 0.35 -0.32 0.16 0.00 -0.71 0.00 0.00 52.86 52.34 1kxx s ASN 46 Cb -0.17 -1.04 0.89 0.00 0.41 0.00 0.00 41.25 41.34 1kxx s ASN 46 CO 0.20 -0.50 1.89 0.71 -1.51 0.00 0.00 177.10 177.89 1kxx h THR 47 N 0.91 1.10 0.00 1.60 1.35 -1.98 -1.32 112.91 114.56 1kxx h THR 47 Ca -0.44 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1kxx h THR 47 Cb 1.26 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1kxx h THR 47 CO 0.52 0.29 0.00 -0.90 -0.25 0.00 0.00 175.52 175.18 1kxx n ASP 48 N -4.04 0.00 0.00 5.36 5.75 -1.26 -4.84 116.55 117.52 1kxx n ASP 48 Ca -0.02 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 1kxx n ASP 48 Cb 0.35 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 1kxx n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kxx n GLY 49 N 0.28 2.68 3.87 6.12 0.00 -0.50 -5.00 105.19 112.64 1kxx n GLY 49 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1kxx n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kxx s SER 50 N -3.64 4.01 0.05 1.61 1.04 -1.26 -4.77 113.70 110.74 1kxx s SER 50 Ca 0.00 0.75 0.03 0.00 0.48 0.00 0.00 55.95 57.22 1kxx s SER 50 Cb 0.00 -1.20 -0.02 0.00 0.10 0.00 0.00 66.02 64.90 1kxx s SER 50 CO 0.00 -2.21 -0.10 -0.89 0.98 0.00 0.00 173.24 171.01 1kxx s THR 51 N -3.54 0.78 -0.15 2.02 2.01 -1.26 -0.16 115.64 115.35 1kxx s THR 51 Ca 0.64 -1.08 -0.06 0.00 0.31 0.00 0.00 61.69 61.50 1kxx s THR 51 Cb -0.11 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1kxx s THR 51 CO 0.51 -0.25 0.08 -1.81 -0.69 0.00 0.00 174.62 172.45 1kxx s ASP 52 N -1.47 5.79 -0.04 3.53 1.01 0.13 -1.49 116.67 124.14 1kxx s ASP 52 Ca -0.05 0.21 0.06 0.00 0.71 0.00 0.00 52.55 53.47 1kxx s ASP 52 Cb -0.09 -1.90 -0.01 0.00 1.01 0.00 0.00 42.92 41.93 1kxx s ASP 52 CO 0.01 0.28 -0.21 -0.31 0.21 0.00 0.00 175.17 175.14 1kxx s TYR 53 N -0.24 2.04 0.00 4.23 1.51 0.01 -1.86 117.35 123.03 1kxx s TYR 53 Ca 0.09 -0.52 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1kxx s TYR 53 Cb -0.12 -1.34 0.00 0.00 -0.11 0.00 0.00 41.96 40.39 1kxx s TYR 53 CO 0.01 -0.13 0.00 0.41 -1.11 0.00 0.00 175.55 174.73 1kxx n GLY 54 N 2.85 -2.10 0.30 0.71 0.00 0.22 -1.29 105.19 105.88 1kxx n GLY 54 Ca -0.17 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.43 1kxx n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1kxx h ILE 55 N 0.00 0.99 -0.32 -0.61 2.10 -1.68 -1.59 117.51 116.39 1kxx h ILE 55 Ca 0.00 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.87 1kxx h ILE 55 Cb 0.00 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 36.51 1kxx h ILE 55 CO 0.00 0.03 0.00 0.18 -1.08 0.00 0.00 178.15 177.28 1kxx n LEU 56 N -4.50 2.87 -3.69 2.19 4.77 -1.26 -3.93 117.00 113.45 1kxx n LEU 56 Ca 0.01 -1.75 -0.28 0.00 -0.03 0.00 0.00 56.01 53.97 1kxx n LEU 56 Cb 0.17 -0.21 0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1kxx n LEU 56 CO 0.35 0.68 -0.09 0.00 -1.33 0.00 0.00 177.39 177.00 1kxx n GLN 57 N 0.73 -2.13 -2.46 3.23 1.13 -0.60 -4.93 117.38 112.36 1kxx n GLN 57 Ca 0.12 0.51 -0.42 0.00 -1.94 0.00 0.00 57.00 55.27 1kxx n GLN 57 Cb 0.43 -4.48 -0.03 0.00 0.11 0.00 0.00 30.24 26.28 1kxx n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1kxx s ILE 58 N -3.56 4.15 0.18 5.09 1.01 -0.41 -4.36 121.20 123.30 1kxx s ILE 58 Ca 0.34 1.54 -0.30 0.00 0.00 0.00 0.00 60.65 62.23 1kxx s ILE 58 Cb -0.11 -3.99 -0.08 0.00 0.01 0.00 0.00 42.46 38.30 1kxx s ILE 58 CO 0.85 0.10 1.03 0.21 0.00 0.00 0.00 174.94 177.13 1kxx s ASN 59 N 1.12 7.41 0.37 3.58 3.84 -1.26 -0.81 114.94 129.19 1kxx s ASN 59 Ca 0.58 2.00 0.26 0.00 0.21 0.00 0.00 52.86 55.90 1kxx s ASN 59 Cb -0.28 -2.60 0.73 0.00 -0.55 0.00 0.00 41.25 38.55 1kxx s ASN 59 CO 0.28 -0.09 1.74 0.77 -2.79 0.00 0.00 177.10 177.00 1kxx h SER 60 N 4.91 0.00 0.02 -4.21 4.64 -1.50 -2.34 113.55 115.08 1kxx h SER 60 Ca -0.44 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.78 1kxx h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1kxx h SER 60 CO 0.71 0.00 -0.30 -0.09 -0.87 0.00 0.00 176.83 176.27 1kxx h ARG 61 N 0.00 0.42 0.00 4.77 2.43 -1.85 -3.39 114.38 116.77 1kxx h ARG 61 Ca 0.00 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 58.88 1kxx h ARG 61 Cb 0.76 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 1kxx h ARG 61 CO 0.00 0.68 -1.44 0.91 -1.51 0.00 0.00 179.97 178.61 1kxx n TRP 62 N -4.09 0.00 -0.07 2.20 7.02 -1.23 -0.21 117.44 121.06 1kxx n TRP 62 Ca -0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1kxx n TRP 62 Cb 0.43 -0.29 -0.15 0.00 -2.42 0.00 0.00 31.31 28.87 1kxx n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1kxx n TRP 63 N -2.89 0.36 -4.13 -5.99 7.02 -0.88 0.19 117.44 111.13 1kxx n TRP 63 Ca -0.14 0.13 -0.09 0.00 -1.02 0.00 0.00 57.50 56.38 1kxx n TRP 63 Cb 0.64 -1.07 -0.10 0.00 -2.42 0.00 0.00 31.31 28.36 1kxx n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1kxx s ASN 65 N -3.01 5.18 0.00 0.00 2.47 -0.52 -4.45 114.94 114.62 1kxx s ASN 65 Ca 0.19 -0.17 0.05 0.00 0.42 0.00 0.00 52.86 53.35 1kxx s ASN 65 Cb 0.08 -1.92 0.09 0.00 -1.45 0.00 0.00 41.25 38.04 1kxx s ASN 65 CO -0.02 0.00 0.89 -0.90 -3.72 0.00 0.00 177.10 173.36 1kxx n ASP 66 N 4.69 1.93 0.00 -4.21 5.75 -1.26 -0.63 116.55 122.81 1kxx n ASP 66 Ca -0.16 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 1kxx n ASP 66 Cb 0.52 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1kxx n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kxx n GLY 67 N 0.08 0.21 0.31 6.12 0.00 -1.26 -4.76 105.19 105.89 1kxx n GLY 67 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1kxx n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1kxx n ARG 68 N -0.72 0.21 -3.92 1.61 1.85 -1.26 -5.00 116.66 109.44 1kxx n ARG 68 Ca 0.00 -1.01 -0.34 0.00 -1.00 0.00 0.00 57.85 55.51 1kxx n ARG 68 Cb 0.26 -0.60 -0.14 0.00 -1.05 0.00 0.00 32.46 30.94 1kxx n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1kxx s THR 69 N -0.27 2.76 0.14 8.89 2.01 -1.26 -4.92 115.64 122.99 1kxx s THR 69 Ca 0.03 -2.00 -0.32 0.00 0.31 0.00 0.00 61.69 59.71 1kxx s THR 69 Cb 0.02 -2.86 -0.11 0.00 0.01 0.00 0.00 72.50 69.56 1kxx s THR 69 CO 0.00 -0.49 1.80 -2.65 -0.69 0.00 0.00 174.62 172.59 1kxx n PRO 70 N 4.46 2.74 -1.45 4.92 -0.02 -1.26 -2.19 135.00 142.20 1kxx n PRO 70 Ca -0.03 1.00 -0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1kxx n PRO 70 Cb 0.42 -2.87 -0.00 0.00 -0.02 0.00 0.00 33.50 31.03 1kxx n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kxx n GLY 71 N 4.14 0.38 3.77 -1.23 0.00 -1.26 -5.01 105.19 105.98 1kxx n GLY 71 Ca 0.18 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1kxx n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1kxx s SER 72 N -3.00 6.52 0.11 1.61 0.15 -0.93 -4.89 113.70 113.27 1kxx s SER 72 Ca 0.00 2.82 0.23 0.00 0.70 0.00 0.00 55.95 59.70 1kxx s SER 72 Cb 0.00 -2.65 0.06 0.00 -1.71 0.00 0.00 66.02 61.71 1kxx s SER 72 CO 0.00 -0.73 1.04 0.54 1.20 0.00 0.00 173.24 175.30 1kxx n ARG 73 N 0.54 0.44 -4.24 5.44 1.74 0.71 -4.97 116.66 116.32 1kxx n ARG 73 Ca 0.01 0.05 -0.33 0.00 -0.77 0.00 0.00 57.85 56.81 1kxx n ARG 73 Cb 0.41 -1.69 -0.07 0.00 -1.02 0.00 0.00 32.46 30.09 1kxx n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1kxx n ASN 74 N -2.29 -0.02 0.30 0.55 5.15 -0.82 -4.83 115.26 113.30 1kxx n ASN 74 Ca 0.01 -1.25 0.17 0.00 -0.60 0.00 0.00 54.58 52.90 1kxx n ASN 74 Cb 0.49 -1.77 0.92 0.00 -0.53 0.00 0.00 39.78 38.89 1kxx n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1kxx h LEU 75 N -1.93 0.00 -1.30 1.20 3.38 -0.26 -0.58 115.31 115.82 1kxx h LEU 75 Ca -0.67 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1kxx h LEU 75 Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1kxx h LEU 75 CO 0.67 0.04 -0.01 0.00 0.09 0.00 0.00 178.44 179.23 1kxx n ASN 77 N 0.58 -3.11 -3.71 0.00 3.02 -0.23 -5.01 115.26 106.81 1kxx n ASN 77 Ca 0.17 -1.02 -0.14 0.00 -0.03 0.00 0.00 54.58 53.56 1kxx n ASN 77 Cb 0.44 -3.20 -0.08 0.00 -0.61 0.00 0.00 39.78 36.33 1kxx n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1kxx s ILE 78 N -3.67 0.05 0.37 2.41 -4.36 -1.26 -5.08 121.20 109.65 1kxx s ILE 78 Ca 0.27 -0.38 -0.25 0.00 -0.26 0.00 0.00 60.65 60.03 1kxx s ILE 78 Cb -0.10 -0.69 -0.09 0.00 1.25 0.00 0.00 42.46 42.83 1kxx s ILE 78 CO 0.87 -0.21 1.04 -2.16 0.24 0.00 0.00 174.94 174.73 1kxx s PRO 79 N -1.30 4.31 0.52 0.37 0.04 -1.26 -1.43 135.00 136.25 1kxx s PRO 79 Ca -0.13 1.54 0.22 0.00 0.04 0.00 0.00 61.00 62.67 1kxx s PRO 79 Cb -0.04 -2.70 1.34 0.00 0.04 0.00 0.00 34.50 33.14 1kxx s PRO 79 CO 0.05 -0.01 2.03 0.00 0.04 0.00 0.00 177.00 179.12 1kxx h SER 81 N 0.02 0.26 -0.05 0.00 4.64 -1.91 -0.40 113.55 116.11 1kxx h SER 81 Ca 0.19 -0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.52 1kxx h SER 81 Cb 0.72 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1kxx h SER 81 CO -0.01 0.18 0.05 0.00 -0.87 0.00 0.00 176.83 176.18 1kxx h ALA 82 N 1.81 1.69 0.00 5.18 0.00 -1.76 -1.13 119.26 125.05 1kxx h ALA 82 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1kxx h ALA 82 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1kxx h ALA 82 CO -0.03 -0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1kxx n LEU 83 N -3.97 0.15 -0.88 0.00 4.77 -0.16 -3.15 117.00 113.76 1kxx n LEU 83 Ca -0.02 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.61 1kxx n LEU 83 Cb 0.15 -0.49 0.17 0.00 -2.33 0.00 0.00 43.42 40.91 1kxx n LEU 83 CO 0.29 -0.20 0.67 0.18 -1.33 0.00 0.00 177.39 177.00 1kxx n LEU 84 N -1.65 2.76 -4.69 2.23 4.77 -0.43 -4.23 117.00 115.77 1kxx n LEU 84 Ca 0.05 -0.92 -0.33 0.00 -0.03 0.00 0.00 56.01 54.78 1kxx n LEU 84 Cb 0.26 -0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.49 1kxx n LEU 84 CO 0.20 0.46 0.74 -0.55 -1.33 0.00 0.00 177.39 176.92 1kxx s SER 85 N -2.00 3.36 0.46 -1.43 0.15 -1.19 -4.15 113.70 108.91 1kxx s SER 85 Ca 0.30 2.32 0.28 0.00 0.70 0.00 0.00 55.95 59.54 1kxx s SER 85 Cb 0.20 -2.58 0.84 0.00 -1.71 0.00 0.00 66.02 62.77 1kxx s SER 85 CO 0.31 -2.82 1.78 0.77 1.20 0.00 0.00 173.24 174.48 1kxx h SER 86 N -1.21 0.00 -3.49 5.45 4.64 -1.94 -3.41 113.55 113.60 1kxx h SER 86 Ca -0.45 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.26 1kxx h SER 86 Cb 1.29 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.27 1kxx h SER 86 CO 0.45 0.00 0.04 -0.62 -0.87 0.00 0.00 176.83 175.83 1kxx s ASP 87 N -5.76 6.56 0.00 4.97 2.15 -1.26 -4.95 116.67 118.38 1kxx s ASP 87 Ca 0.05 0.67 0.30 0.00 0.43 0.00 0.00 52.55 54.00 1kxx s ASP 87 Cb 0.07 -2.31 1.73 0.00 -0.30 0.00 0.00 42.92 42.12 1kxx s ASP 87 CO 0.60 -0.27 2.12 2.30 -0.17 0.00 0.00 175.17 179.75 1kxx n ILE 88 N 4.87 0.00 -0.21 4.11 -5.35 -1.26 -4.40 119.36 117.12 1kxx n ILE 88 Ca -0.03 -0.03 -0.01 0.00 -0.27 0.00 0.00 62.75 62.41 1kxx n ILE 88 Cb 0.50 -0.37 0.05 0.00 -1.74 0.00 0.00 39.64 38.08 1kxx n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1kxx h THR 89 N 0.24 0.34 -0.72 7.28 2.02 -1.95 -0.27 112.91 119.86 1kxx h THR 89 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1kxx h THR 89 Cb 0.05 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1kxx h THR 89 CO 0.00 0.00 0.21 0.00 0.37 0.00 0.00 175.52 176.10 1kxx h ALA 90 N 1.53 0.94 -0.68 6.16 0.00 -1.88 -0.33 119.26 125.01 1kxx h ALA 90 Ca 0.29 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1kxx h ALA 90 Cb 0.47 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1kxx h ALA 90 CO -0.65 0.64 0.15 0.77 0.00 0.00 0.00 179.25 180.16 1kxx h SER 91 N 1.07 1.04 -0.27 0.00 0.02 -1.57 -2.16 113.55 111.67 1kxx h SER 91 Ca 0.23 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 1kxx h SER 91 Cb 0.33 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1kxx h SER 91 CO -0.00 1.01 -0.10 0.58 -1.14 0.00 0.00 176.83 177.17 1kxx h VAL 92 N 1.04 1.29 -0.62 2.27 2.07 -0.68 -0.35 116.25 121.26 1kxx h VAL 92 Ca 0.21 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 1kxx h VAL 92 Cb 0.39 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1kxx h VAL 92 CO 0.01 0.37 0.22 0.78 0.02 0.00 0.00 177.57 178.96 1kxx h ASN 93 N 0.29 0.84 -0.13 0.57 -0.26 -0.99 -1.58 115.58 114.32 1kxx h ASN 93 Ca 0.06 -0.13 -0.11 0.00 -0.56 0.00 0.00 56.30 55.57 1kxx h ASN 93 Cb 0.60 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1kxx h ASN 93 CO 0.03 0.78 -0.34 0.00 -1.06 0.00 0.00 177.43 176.84 1kxx h ALA 95 N 0.52 2.10 -0.47 0.00 0.00 -0.75 0.31 119.26 120.96 1kxx h ALA 95 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1kxx h ALA 95 Cb 0.95 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1kxx h ALA 95 CO 0.07 -0.23 0.07 0.87 0.00 0.00 0.00 179.25 180.03 1kxx h LYS 96 N 0.33 0.74 -0.22 0.00 1.57 -1.22 0.54 116.57 118.31 1kxx h LYS 96 Ca 0.27 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 1kxx h LYS 96 Cb 0.61 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1kxx h LYS 96 CO -0.06 0.71 -0.47 0.87 -0.57 0.00 0.00 179.45 179.93 1kxx h LYS 97 N 0.71 0.71 0.34 3.15 1.57 -0.94 -2.88 116.57 119.23 1kxx h LYS 97 Ca 0.15 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1kxx h LYS 97 Cb 0.34 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1kxx h LYS 97 CO 0.01 1.09 -0.16 0.82 -0.57 0.00 0.00 179.45 180.63 1kxx h ILE 98 N 0.43 0.68 0.00 1.86 2.04 -1.02 -2.28 117.51 119.23 1kxx h ILE 98 Ca 0.01 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1kxx h ILE 98 Cb 1.07 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1kxx h ILE 98 CO 0.10 0.05 -0.02 1.62 0.00 0.00 0.00 178.15 179.90 1kxx h VAL 99 N -0.59 0.31 0.00 1.67 3.04 -0.98 0.10 116.25 119.81 1kxx h VAL 99 Ca -0.05 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1kxx h VAL 99 Cb 0.43 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 1kxx h VAL 99 CO 0.08 0.02 -0.44 -1.20 -1.01 0.00 0.00 177.57 175.02 1kxx n SER 100 N -3.49 0.46 0.00 3.17 7.64 -1.09 -3.67 113.62 116.64 1kxx n SER 100 Ca -0.03 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1kxx n SER 100 Cb 0.11 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1kxx n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1kxx n ASP 101 N -1.60 0.00 0.00 6.43 2.03 0.36 -4.82 116.55 118.95 1kxx n ASP 101 Ca 0.05 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.76 1kxx n ASP 101 Cb 0.35 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.36 1kxx n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kxx n GLY 102 N -1.39 2.04 0.83 0.27 0.00 -1.26 -4.88 105.19 100.80 1kxx n GLY 102 Ca 0.00 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.51 1kxx n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kxx n ASN 103 N 0.06 2.53 0.00 1.61 3.02 -1.26 -5.05 115.26 116.17 1kxx n ASN 103 Ca 0.00 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 1kxx n ASN 103 Cb 0.00 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1kxx n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kxx n GLY 104 N 1.31 1.91 0.00 7.41 0.00 -1.24 -2.47 105.19 112.11 1kxx n GLY 104 Ca 0.17 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.82 1kxx n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kxx n MET 105 N 6.23 0.74 0.10 1.61 2.81 -1.26 -2.87 117.12 124.47 1kxx n MET 105 Ca 0.00 0.01 0.10 0.00 -1.81 0.00 0.00 57.70 56.00 1kxx n MET 105 Cb 0.00 -1.50 0.44 0.00 -0.71 0.00 0.00 33.22 31.45 1kxx n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1kxx n ASN 106 N -1.03 0.47 0.30 7.83 3.02 -1.03 -1.37 115.26 123.46 1kxx n ASN 106 Ca 0.18 0.63 0.18 0.00 -0.03 0.00 0.00 54.58 55.54 1kxx n ASN 106 Cb 0.10 -0.72 0.95 0.00 -0.61 0.00 0.00 39.78 39.49 1kxx n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kxx h ALA 107 N 2.28 1.12 -2.60 5.41 0.00 -1.70 -3.37 119.26 120.41 1kxx h ALA 107 Ca 0.00 -0.03 -0.72 0.00 0.00 0.00 0.00 54.91 54.16 1kxx h ALA 107 Cb 0.29 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.82 1kxx h ALA 107 CO 0.00 0.04 -0.42 -1.58 0.00 0.00 0.00 179.25 177.29 1kxx s TRP 108 N -4.10 3.29 0.41 0.00 0.51 -0.47 -4.98 118.94 113.60 1kxx s TRP 108 Ca -0.03 -1.19 0.12 0.00 -2.12 0.00 0.00 56.10 52.88 1kxx s TRP 108 Cb 0.12 -2.94 0.94 0.00 -0.81 0.00 0.00 33.47 30.78 1kxx s TRP 108 CO 0.50 -0.79 1.95 -0.24 -0.51 0.00 0.00 176.95 177.86 1kxx h VAL 109 N 5.91 0.90 -0.12 4.03 3.04 -1.84 -0.76 116.25 127.41 1kxx h VAL 109 Ca -0.25 -0.18 -0.14 0.00 -1.01 0.00 0.00 66.70 65.12 1kxx h VAL 109 Cb 1.10 0.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.69 1kxx h VAL 109 CO 0.79 0.10 -0.52 0.00 -1.01 0.00 0.00 177.57 176.92 1kxx h ALA 110 N 1.65 0.89 -0.06 3.17 0.00 -1.93 0.07 119.26 123.05 1kxx h ALA 110 Ca 0.32 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1kxx h ALA 110 Cb 0.55 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1kxx h ALA 110 CO -0.11 0.67 -0.01 2.35 0.00 0.00 0.00 179.25 182.16 1kxx h TRP 111 N 0.26 0.12 -0.35 0.00 7.01 -1.47 0.19 115.95 121.71 1kxx h TRP 111 Ca 0.01 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.03 1kxx h TRP 111 Cb 1.00 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 27.99 1kxx h TRP 111 CO 0.03 0.44 0.08 -0.09 -2.79 0.00 0.00 178.44 176.10 1kxx h ARG 112 N -0.23 0.20 0.00 2.65 2.43 -1.20 0.25 114.38 118.48 1kxx h ARG 112 Ca 0.01 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1kxx h ARG 112 Cb 0.40 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1kxx h ARG 112 CO 0.01 0.13 -0.42 -0.91 -1.51 0.00 0.00 179.97 177.27 1kxx h ASN 113 N 0.21 0.00 0.00 -3.80 2.35 -0.91 -3.36 115.58 110.07 1kxx h ASN 113 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1kxx h ASN 113 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1kxx h ASN 113 CO -0.20 0.12 0.00 0.54 -1.65 0.00 0.00 177.43 176.23 1kxx n ARG 114 N -3.00 2.77 -0.01 0.81 1.74 0.66 -4.89 116.66 114.73 1kxx n ARG 114 Ca 0.02 -0.07 -0.02 0.00 -0.77 0.00 0.00 57.85 57.01 1kxx n ARG 114 Cb 0.59 -0.40 -0.01 0.00 -1.02 0.00 0.00 32.46 31.62 1kxx n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kxx n LYS 116 N -2.73 1.71 -1.13 0.00 4.81 0.69 -1.67 118.16 119.84 1kxx n LYS 116 Ca -0.04 0.62 -0.04 0.00 -0.87 0.00 0.00 58.31 57.97 1kxx n LYS 116 Cb 0.54 -2.35 -0.02 0.00 0.02 0.00 0.00 35.03 33.22 1kxx n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kxx n GLY 117 N 3.43 0.72 3.67 3.14 0.00 -1.26 -4.96 105.19 109.93 1kxx n GLY 117 Ca 0.20 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.23 1kxx n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kxx s THR 118 N -2.13 2.21 -1.02 2.61 -4.23 -0.67 -5.02 115.64 107.40 1kxx s THR 118 Ca 0.00 -1.88 -0.20 0.00 -1.18 0.00 0.00 61.69 58.43 1kxx s THR 118 Cb 0.00 -2.96 -0.09 0.00 1.34 0.00 0.00 72.50 70.79 1kxx s THR 118 CO 0.00 -0.03 1.98 -0.67 -0.54 0.00 0.00 174.62 175.36 1kxx n ASP 119 N -1.07 3.06 0.20 3.99 2.03 -1.26 -4.70 116.55 118.81 1kxx n ASP 119 Ca -0.03 -2.73 0.14 0.00 0.52 0.00 0.00 54.79 52.69 1kxx n ASP 119 Cb 0.65 -1.36 0.72 0.00 -0.72 0.00 0.00 41.12 40.41 1kxx n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1kxx h VAL 120 N 4.68 0.00 0.00 5.18 -1.51 -1.91 -1.97 116.25 120.72 1kxx h VAL 120 Ca 0.43 -0.09 -0.02 0.00 -1.23 0.00 0.00 66.70 65.80 1kxx h VAL 120 Cb 0.71 0.77 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1kxx h VAL 120 CO 1.81 0.00 -0.08 1.56 -1.23 0.00 0.00 177.57 179.63 1kxx h GLN 121 N 0.00 0.00 -0.25 5.19 7.50 -1.89 -2.16 115.11 123.50 1kxx h GLN 121 Ca 0.00 0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.22 1kxx h GLN 121 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 1kxx h GLN 121 CO 0.00 0.08 0.18 0.00 -1.50 0.00 0.00 178.83 177.59 1kxx h ALA 122 N 1.92 2.21 0.00 3.87 0.00 -1.76 -2.39 119.26 123.10 1kxx h ALA 122 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1kxx h ALA 122 Cb 0.19 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1kxx h ALA 122 CO 0.01 -0.31 -0.04 -1.49 0.00 0.00 0.00 179.25 177.42 1kxx h TRP 123 N 0.00 0.00 -0.07 0.00 4.06 -1.61 -2.55 115.95 115.78 1kxx h TRP 123 Ca 0.12 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.07 1kxx h TRP 123 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.64 1kxx h TRP 123 CO 0.00 0.04 0.00 0.44 -3.56 0.00 0.00 178.44 175.36 1kxx n ILE 124 N -3.26 0.30 -1.81 1.49 -5.35 -0.91 -4.81 119.36 105.00 1kxx n ILE 124 Ca -0.01 -0.65 -0.41 0.00 -0.27 0.00 0.00 62.75 61.40 1kxx n ILE 124 Cb 0.20 0.94 -0.01 0.00 -1.74 0.00 0.00 39.64 39.03 1kxx n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1kxx s ARG 125 N -0.68 4.14 0.00 6.28 3.52 -0.96 -1.85 118.95 129.39 1kxx s ARG 125 Ca 0.09 2.54 0.00 0.00 -0.13 0.00 0.00 55.73 58.24 1kxx s ARG 125 Cb 0.06 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 1kxx s ARG 125 CO 0.09 -0.58 0.00 0.41 -0.81 0.00 0.00 175.30 174.40 1kxx n GLY 126 N 1.81 2.57 3.74 8.12 0.00 -1.26 -5.02 105.19 115.14 1kxx n GLY 126 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1kxx n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kxx s ARG 128 N -0.31 3.29 0.00 0.00 3.52 -1.26 -5.12 118.95 119.07 1kxx s ARG 128 Ca 0.47 -0.31 0.03 0.00 -0.13 0.00 0.00 55.73 55.79 1kxx s ARG 128 Cb -0.26 -4.10 0.03 0.00 -1.56 0.00 0.00 34.95 29.06 1kxx s ARG 128 CO 0.32 -1.64 0.61 1.28 -0.81 0.00 0.00 175.30 175.06