#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kxy s VAL 2 N 0.00 4.91 0.55 3.15 1.01 -1.26 -1.12 120.40 127.64 1kxy s VAL 2 Ca 0.00 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 60.70 1kxy s VAL 2 Cb 0.00 -3.91 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 1kxy s VAL 2 CO 0.00 -0.50 1.07 -0.36 0.00 0.00 0.00 175.10 175.30 1kxy s PHE 3 N 1.58 2.90 0.35 5.22 0.40 0.31 -4.99 117.98 123.75 1kxy s PHE 3 Ca 0.04 1.55 -0.05 0.00 -0.60 0.00 0.00 56.93 57.86 1kxy s PHE 3 Cb -0.23 -3.10 -0.05 0.00 0.51 0.00 0.00 43.02 40.16 1kxy s PHE 3 CO 0.06 -1.14 0.62 0.20 0.70 0.00 0.00 175.22 175.66 1kxy s GLY 4 N -2.28 1.75 0.15 4.36 0.00 -1.26 -4.83 107.32 105.21 1kxy s GLY 4 Ca 0.67 -0.54 -0.25 0.00 0.00 0.00 0.00 44.72 44.60 1kxy s GLY 4 CO 0.29 -0.41 1.60 -0.09 0.00 0.00 0.00 173.10 174.49 1kxy h ARG 5 N 1.26 -0.33 0.00 2.90 2.43 -1.96 -1.48 114.38 117.20 1kxy h ARG 5 Ca -0.48 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.59 1kxy h ARG 5 Cb 1.20 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 1kxy h ARG 5 CO 0.64 -0.22 -0.61 0.00 -1.51 0.00 0.00 179.97 178.27 1kxy h GLU 7 N 0.00 0.50 -0.42 0.00 4.81 -1.88 -1.44 114.58 116.16 1kxy h GLU 7 Ca -0.01 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 1kxy h GLU 7 Cb 1.13 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1kxy h GLU 7 CO 0.08 0.52 -0.06 1.25 -0.73 0.00 0.00 179.01 180.07 1kxy h LEU 8 N 0.38 0.77 -0.46 1.64 5.85 -1.17 -1.14 115.31 121.19 1kxy h LEU 8 Ca 0.11 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.56 1kxy h LEU 8 Cb 0.22 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.98 1kxy h LEU 8 CO -0.01 0.93 0.10 0.00 -0.34 0.00 0.00 178.44 179.13 1kxy h ALA 9 N 0.87 0.52 -0.56 1.25 0.00 -1.19 0.92 119.26 121.06 1kxy h ALA 9 Ca 0.11 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1kxy h ALA 9 Cb 0.57 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1kxy h ALA 9 CO 0.03 -0.30 0.05 0.00 0.00 0.00 0.00 179.25 179.03 1kxy h ALA 10 N 1.34 0.75 -0.40 0.00 0.00 -1.05 -1.19 119.26 118.71 1kxy h ALA 10 Ca 0.23 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1kxy h ALA 10 Cb 0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1kxy h ALA 10 CO -0.28 0.54 -0.16 0.00 0.00 0.00 0.00 179.25 179.34 1kxy h ALA 11 N 0.98 0.95 -0.41 0.00 0.00 -0.72 -2.04 119.26 118.04 1kxy h ALA 11 Ca 0.17 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1kxy h ALA 11 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1kxy h ALA 11 CO 0.02 0.61 -0.34 0.52 0.00 0.00 0.00 179.25 180.06 1kxy h MET 12 N 0.67 0.94 -0.28 0.00 2.86 -0.62 -2.38 114.93 116.12 1kxy h MET 12 Ca 0.11 -0.47 -0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1kxy h MET 12 Cb 0.65 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1kxy h MET 12 CO 0.05 1.13 0.16 -0.22 1.06 0.00 0.00 176.91 179.08 1kxy h LYS 13 N 0.78 0.39 -0.20 1.72 3.64 -1.07 -1.49 116.57 120.34 1kxy h LYS 13 Ca 0.07 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1kxy h LYS 13 Cb 0.93 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1kxy h LYS 13 CO 0.09 0.33 0.13 -0.09 -2.27 0.00 0.00 179.45 177.64 1kxy h ARG 14 N 0.34 0.20 -0.49 1.90 2.43 -1.35 -0.41 114.38 117.00 1kxy h ARG 14 Ca 0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1kxy h ARG 14 Cb 0.05 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1kxy h ARG 14 CO -0.02 0.13 0.00 0.72 -1.51 0.00 0.00 179.97 179.30 1kxy n HIS 15 N -4.51 0.59 -1.46 2.20 8.25 -0.73 -4.92 115.22 114.64 1kxy n HIS 15 Ca 0.00 -0.25 -0.05 0.00 -0.26 0.00 0.00 57.72 57.16 1kxy n HIS 15 Cb 0.12 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 1kxy n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kxy n GLY 16 N 0.75 0.59 0.12 -1.41 0.00 -0.16 -4.96 105.19 100.11 1kxy n GLY 16 Ca 0.11 -0.76 0.02 0.00 0.00 0.00 0.00 46.02 45.39 1kxy n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kxy h LEU 17 N 0.00 0.00 -9.18 0.99 3.38 -1.45 -3.40 115.31 105.65 1kxy h LEU 17 Ca -0.12 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.29 1kxy h LEU 17 Cb 0.60 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.35 1kxy h LEU 17 CO 0.16 0.48 1.34 0.54 0.09 0.00 0.00 178.44 181.06 1kxy s ASN 18 N -6.01 6.01 -1.61 -0.43 6.03 -1.26 -1.66 114.94 116.01 1kxy s ASN 18 Ca 0.00 2.30 0.00 0.00 -1.03 0.00 0.00 52.86 54.13 1kxy s ASN 18 Cb 0.08 -2.52 0.00 0.00 -3.03 0.00 0.00 41.25 35.78 1kxy s ASN 18 CO 0.78 -1.46 0.00 0.59 -2.03 0.00 0.00 177.10 174.98 1kxy n ASN 19 N 9.39 -4.83 -4.70 3.54 4.13 0.69 -4.88 115.26 118.60 1kxy n ASN 19 Ca 0.24 0.37 -0.42 0.00 1.68 0.00 0.00 54.58 56.45 1kxy n ASN 19 Cb 0.43 -3.68 -0.03 0.00 -1.54 0.00 0.00 39.78 34.96 1kxy n ASN 19 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1kxy s TYR 20 N -2.57 2.95 -1.52 3.10 5.04 -0.66 -1.79 117.35 121.90 1kxy s TYR 20 Ca 0.00 0.79 -0.00 0.00 -2.44 0.00 0.00 57.07 55.42 1kxy s TYR 20 Cb 0.00 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.59 1kxy s TYR 20 CO 0.00 -2.66 0.04 0.54 -1.34 0.00 0.00 175.55 172.13 1kxy n ARG 21 N 4.78 -2.06 -0.77 4.97 5.12 -1.26 -1.63 116.66 125.81 1kxy n ARG 21 Ca 0.13 0.86 0.00 0.00 -1.93 0.00 0.00 57.85 56.91 1kxy n ARG 21 Cb 0.42 -5.52 0.00 0.00 -1.16 0.00 0.00 32.46 26.21 1kxy n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1kxy n GLY 22 N -0.97 0.79 3.55 -0.13 0.00 -0.74 -5.03 105.19 102.65 1kxy n GLY 22 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 1kxy n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1kxy s TYR 23 N -2.98 3.20 0.93 1.61 2.02 -0.64 -4.91 117.35 116.56 1kxy s TYR 23 Ca 0.00 -0.07 -0.11 0.00 -0.37 0.00 0.00 57.07 56.52 1kxy s TYR 23 Cb 0.00 -2.37 0.15 0.00 -0.40 0.00 0.00 41.96 39.34 1kxy s TYR 23 CO 0.00 -0.25 1.11 -1.54 -1.57 0.00 0.00 175.55 173.30 1kxy s SER 24 N 1.72 2.95 0.32 2.29 1.04 -1.26 -0.22 113.70 120.53 1kxy s SER 24 Ca 0.07 1.92 0.03 0.00 0.48 0.00 0.00 55.95 58.44 1kxy s SER 24 Cb -0.16 -2.46 0.61 0.00 0.10 0.00 0.00 66.02 64.10 1kxy s SER 24 CO 0.09 -3.04 1.90 0.25 0.98 0.00 0.00 173.24 173.43 1kxy h LEU 25 N -1.82 0.84 -1.69 2.42 5.85 -1.90 -1.72 115.31 117.29 1kxy h LEU 25 Ca -0.47 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.39 1kxy h LEU 25 Cb 1.27 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 1kxy h LEU 25 CO 0.47 0.51 0.44 1.23 -0.34 0.00 0.00 178.44 180.75 1kxy h GLY 26 N 0.94 0.51 0.89 3.75 0.00 -1.91 -1.80 103.07 105.45 1kxy h GLY 26 Ca 0.40 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 1kxy h GLY 26 CO -0.16 0.06 0.05 3.43 0.00 0.00 0.00 176.54 179.92 1kxy h ASN 27 N 0.33 0.50 -0.42 0.19 2.35 -1.56 -0.82 115.58 116.15 1kxy h ASN 27 Ca 0.31 -0.26 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1kxy h ASN 27 Cb 0.76 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 1kxy h ASN 27 CO -0.08 0.64 -0.15 -0.50 -1.65 0.00 0.00 177.43 175.69 1kxy h TRP 28 N 0.35 1.01 -0.25 1.19 4.06 -1.49 -0.09 115.95 120.71 1kxy h TRP 28 Ca 0.09 -0.21 -0.19 0.00 2.06 0.00 0.00 58.89 60.65 1kxy h TRP 28 Cb 0.35 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 1kxy h TRP 28 CO 0.02 0.98 -0.58 0.28 -3.56 0.00 0.00 178.44 175.58 1kxy h VAL 29 N 0.80 1.28 -0.56 1.49 2.07 -1.30 -1.72 116.25 118.31 1kxy h VAL 29 Ca 0.12 -1.78 -0.06 0.00 0.82 0.00 0.00 66.70 65.80 1kxy h VAL 29 Cb 0.68 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1kxy h VAL 29 CO 0.05 0.57 0.10 0.00 0.02 0.00 0.00 177.57 178.31 1kxy h ALA 31 N 1.00 0.62 -0.60 0.00 0.00 -0.86 -2.34 119.26 117.08 1kxy h ALA 31 Ca 0.17 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1kxy h ALA 31 Cb 0.40 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1kxy h ALA 31 CO 0.01 0.21 0.24 0.00 0.00 0.00 0.00 179.25 179.71 1kxy h ALA 32 N 1.05 0.78 -0.09 0.00 0.00 -1.15 0.71 119.26 120.57 1kxy h ALA 32 Ca 0.16 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1kxy h ALA 32 Cb 0.16 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1kxy h ALA 32 CO -0.02 0.39 -0.23 -0.22 0.00 0.00 0.00 179.25 179.18 1kxy h LYS 33 N 0.83 -0.30 0.00 0.00 1.63 -1.06 0.05 116.57 117.73 1kxy h LYS 33 Ca 0.20 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1kxy h LYS 33 Cb 0.20 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1kxy h LYS 33 CO -0.02 -0.20 -0.07 0.74 -3.45 0.00 0.00 179.45 176.46 1kxy h PHE 34 N -0.31 0.00 0.14 1.91 0.04 -1.30 0.01 116.94 117.43 1kxy h PHE 34 Ca 0.09 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.57 1kxy h PHE 34 Cb 0.44 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.59 1kxy h PHE 34 CO -0.31 0.00 -1.46 0.93 -0.60 0.00 0.00 178.31 176.87 1kxy h GLU 35 N 0.00 0.30 0.00 1.51 4.39 -0.64 -3.43 114.58 116.71 1kxy h GLU 35 Ca 0.00 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1kxy h GLU 35 Cb 0.96 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1kxy h GLU 35 CO 0.00 1.25 0.00 -1.13 -1.16 0.00 0.00 179.01 177.97 1kxy n SER 36 N -3.84 0.11 -1.81 1.42 3.41 -0.09 -4.83 113.62 107.99 1kxy n SER 36 Ca -0.24 -0.43 -0.13 0.00 -0.26 0.00 0.00 58.87 57.81 1kxy n SER 36 Cb 0.95 0.27 0.02 0.00 -0.26 0.00 0.00 64.21 65.19 1kxy n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1kxy n ASN 37 N -0.27 -4.23 -0.99 4.04 5.15 -0.01 -2.27 115.26 116.68 1kxy n ASN 37 Ca 0.00 -0.14 -0.13 0.00 -0.60 0.00 0.00 54.58 53.71 1kxy n ASN 37 Cb 0.04 -3.17 -0.06 0.00 -0.53 0.00 0.00 39.78 36.07 1kxy n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1kxy n PHE 38 N -4.01 0.00 -3.68 1.20 3.72 -1.19 -4.85 117.46 108.66 1kxy n PHE 38 Ca -0.08 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.94 1kxy n PHE 38 Cb 0.58 -2.36 -0.12 0.00 -0.94 0.00 0.00 39.48 36.64 1kxy n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1kxy s ASN 39 N -2.84 5.45 0.50 4.37 2.47 -0.96 -0.53 114.94 123.41 1kxy s ASN 39 Ca 0.00 -0.37 0.26 0.00 0.42 0.00 0.00 52.86 53.16 1kxy s ASN 39 Cb 0.00 -1.99 1.33 0.00 -1.45 0.00 0.00 41.25 39.14 1kxy s ASN 39 CO 0.00 -0.13 2.02 0.71 -3.72 0.00 0.00 177.10 175.99 1kxy h THR 40 N 5.60 0.61 -0.21 -5.21 1.35 -1.44 -2.87 112.91 110.74 1kxy h THR 40 Ca -0.34 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1kxy h THR 40 Cb 1.16 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1kxy h THR 40 CO 0.60 0.14 0.00 0.00 -0.25 0.00 0.00 175.52 176.01 1kxy n GLN 41 N -3.65 1.79 -1.99 4.72 6.02 -1.26 -3.99 117.38 119.03 1kxy n GLN 41 Ca -0.02 -1.20 -0.42 0.00 -0.01 0.00 0.00 57.00 55.36 1kxy n GLN 41 Cb 0.27 -1.38 -0.03 0.00 1.02 0.00 0.00 30.24 30.12 1kxy n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1kxy s ALA 42 N -1.72 3.69 0.04 -1.58 0.00 -1.08 -4.82 121.76 116.29 1kxy s ALA 42 Ca 0.31 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.63 1kxy s ALA 42 Cb 0.17 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 1kxy s ALA 42 CO 0.25 -0.75 -0.08 0.95 0.00 0.00 0.00 175.76 176.13 1kxy s THR 43 N 0.62 0.56 -0.13 0.00 -4.23 -1.26 -0.61 115.64 110.58 1kxy s THR 43 Ca 0.65 -1.03 -0.07 0.00 -1.18 0.00 0.00 61.69 60.06 1kxy s THR 43 Cb -0.42 -0.61 0.05 0.00 1.34 0.00 0.00 72.50 72.85 1kxy s THR 43 CO 0.37 -0.34 0.31 0.20 -0.54 0.00 0.00 174.62 174.61 1kxy s ASN 44 N -1.48 -0.35 0.10 3.99 0.01 -0.78 -4.98 114.94 111.45 1kxy s ASN 44 Ca -0.09 0.66 -0.12 0.00 -0.71 0.00 0.00 52.86 52.60 1kxy s ASN 44 Cb -0.09 0.54 -0.06 0.00 0.41 0.00 0.00 41.25 42.05 1kxy s ASN 44 CO 0.00 -0.18 0.46 -0.60 -1.51 0.00 0.00 177.10 175.28 1kxy s ARG 45 N 1.32 3.86 0.38 -0.60 3.52 -1.26 -0.19 118.95 125.98 1kxy s ARG 45 Ca -0.09 0.32 0.07 0.00 -0.13 0.00 0.00 55.73 55.90 1kxy s ARG 45 Cb -0.10 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.29 1kxy s ARG 45 CO -0.10 0.53 0.39 -0.80 -0.81 0.00 0.00 175.30 174.51 1kxy s ASN 46 N -1.71 5.34 0.42 -2.12 0.01 0.02 -4.96 114.94 111.95 1kxy s ASN 46 Ca 0.34 -0.53 0.18 0.00 -0.71 0.00 0.00 52.86 52.14 1kxy s ASN 46 Cb -0.15 -0.82 0.93 0.00 0.41 0.00 0.00 41.25 41.63 1kxy s ASN 46 CO 0.18 -0.53 1.88 0.71 -1.51 0.00 0.00 177.10 177.83 1kxy h THR 47 N 1.04 0.96 0.00 1.60 1.35 -1.99 -1.97 112.91 113.90 1kxy h THR 47 Ca -0.43 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.34 1kxy h THR 47 Cb 1.26 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1kxy h THR 47 CO 0.55 0.28 0.00 -0.90 -0.25 0.00 0.00 175.52 175.21 1kxy n ASP 48 N -3.84 0.00 0.00 5.36 5.75 -1.26 -4.84 116.55 117.73 1kxy n ASP 48 Ca -0.01 -1.27 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 1kxy n ASP 48 Cb 0.38 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1kxy n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kxy n GLY 49 N 0.36 2.37 3.80 6.12 0.00 -0.74 -5.00 105.19 112.09 1kxy n GLY 49 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1kxy n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kxy s SER 50 N -2.34 3.36 0.01 1.61 1.04 -1.26 -4.79 113.70 111.32 1kxy s SER 50 Ca 0.00 0.83 0.01 0.00 0.48 0.00 0.00 55.95 57.27 1kxy s SER 50 Cb 0.00 -1.31 -0.01 0.00 0.10 0.00 0.00 66.02 64.80 1kxy s SER 50 CO 0.00 -2.63 -0.04 -0.89 0.98 0.00 0.00 173.24 170.66 1kxy s THR 51 N -3.36 0.24 -0.14 2.02 2.01 -1.26 -0.80 115.64 114.35 1kxy s THR 51 Ca 0.65 -0.56 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 1kxy s THR 51 Cb -0.13 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.05 1kxy s THR 51 CO 0.53 -0.21 0.13 -1.81 -0.69 0.00 0.00 174.62 172.57 1kxy s ASP 52 N -0.82 6.32 -0.04 3.53 1.01 0.74 -0.88 116.67 126.54 1kxy s ASP 52 Ca -0.07 0.40 0.05 0.00 0.71 0.00 0.00 52.55 53.64 1kxy s ASP 52 Cb -0.06 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.80 1kxy s ASP 52 CO -0.00 0.35 -0.18 -0.31 0.21 0.00 0.00 175.17 175.24 1kxy s TYR 53 N -0.67 1.72 0.00 4.23 1.51 0.16 -1.86 117.35 122.44 1kxy s TYR 53 Ca 0.13 -0.45 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1kxy s TYR 53 Cb -0.12 -1.14 0.00 0.00 -0.11 0.00 0.00 41.96 40.59 1kxy s TYR 53 CO 0.02 -0.13 0.00 0.41 -1.11 0.00 0.00 175.55 174.75 1kxy n GLY 54 N 2.98 -2.08 0.38 0.71 0.00 0.22 -1.65 105.19 105.75 1kxy n GLY 54 Ca -0.17 -1.42 0.17 0.00 0.00 0.00 0.00 46.02 44.60 1kxy n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1kxy h ILE 55 N -0.00 0.67 -0.36 -0.61 6.09 -1.69 -0.79 117.51 120.82 1kxy h ILE 55 Ca 0.00 -0.20 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 1kxy h ILE 55 Cb 0.00 0.04 0.00 0.00 0.47 0.00 0.00 36.82 37.33 1kxy h ILE 55 CO 0.00 0.11 0.00 0.18 -3.07 0.00 0.00 178.15 175.37 1kxy n LEU 56 N -4.65 2.97 -3.79 2.19 4.77 -1.26 -3.96 117.00 113.27 1kxy n LEU 56 Ca 0.22 -1.85 -0.28 0.00 -0.03 0.00 0.00 56.01 54.08 1kxy n LEU 56 Cb 0.66 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1kxy n LEU 56 CO 0.25 0.72 -0.14 0.00 -1.33 0.00 0.00 177.39 176.90 1kxy n GLN 57 N 0.73 -2.61 -2.44 3.23 1.13 -0.30 -4.92 117.38 112.20 1kxy n GLN 57 Ca 0.13 0.46 -0.42 0.00 -1.94 0.00 0.00 57.00 55.23 1kxy n GLN 57 Cb 0.44 -4.44 -0.03 0.00 0.11 0.00 0.00 30.24 26.32 1kxy n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1kxy s ILE 58 N -3.69 4.00 0.19 5.09 1.01 -0.66 -4.29 121.20 122.85 1kxy s ILE 58 Ca 0.21 1.48 -0.30 0.00 0.00 0.00 0.00 60.65 62.05 1kxy s ILE 58 Cb -0.08 -3.95 -0.08 0.00 0.01 0.00 0.00 42.46 38.37 1kxy s ILE 58 CO 0.86 0.14 1.03 0.21 0.00 0.00 0.00 174.94 177.18 1kxy s ASN 59 N 0.86 7.41 0.31 3.58 3.84 -1.26 -0.67 114.94 129.02 1kxy s ASN 59 Ca 0.57 2.01 0.26 0.00 0.21 0.00 0.00 52.86 55.91 1kxy s ASN 59 Cb -0.29 -2.60 0.90 0.00 -0.55 0.00 0.00 41.25 38.70 1kxy s ASN 59 CO 0.30 -0.08 1.76 0.77 -2.79 0.00 0.00 177.10 177.06 1kxy h SER 60 N 4.84 0.00 0.63 -4.21 4.64 -1.26 -2.47 113.55 115.73 1kxy h SER 60 Ca -0.44 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.80 1kxy h SER 60 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1kxy h SER 60 CO 0.71 0.00 -0.35 -0.09 -0.87 0.00 0.00 176.83 176.23 1kxy h ARG 61 N 0.00 0.00 0.00 4.77 2.43 -1.84 -3.39 114.38 116.35 1kxy h ARG 61 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1kxy h ARG 61 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1kxy h ARG 61 CO 0.00 0.35 -0.81 0.91 -1.51 0.00 0.00 179.97 178.91 1kxy n TRP 62 N -3.70 0.00 -0.09 2.20 7.02 -1.21 -0.83 117.44 120.82 1kxy n TRP 62 Ca -0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.37 1kxy n TRP 62 Cb 0.45 0.00 -0.16 0.00 -2.42 0.00 0.00 31.31 29.18 1kxy n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1kxy n TRP 63 N -2.04 0.05 -4.06 -5.99 7.02 -0.93 -0.28 117.44 111.21 1kxy n TRP 63 Ca 0.00 0.02 -0.09 0.00 -1.02 0.00 0.00 57.50 56.41 1kxy n TRP 63 Cb 0.40 -1.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.20 1kxy n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1kxy s ASN 65 N -2.97 5.22 0.00 0.00 2.47 -0.51 -4.39 114.94 114.76 1kxy s ASN 65 Ca 0.15 -0.12 0.03 0.00 0.42 0.00 0.00 52.86 53.34 1kxy s ASN 65 Cb 0.07 -1.91 0.09 0.00 -1.45 0.00 0.00 41.25 38.04 1kxy s ASN 65 CO -0.04 0.05 1.04 -0.90 -3.72 0.00 0.00 177.10 173.53 1kxy n ASP 66 N 4.37 2.20 -0.17 -4.21 5.75 -1.26 -0.60 116.55 122.63 1kxy n ASP 66 Ca -0.16 -1.93 -0.02 0.00 -0.01 0.00 0.00 54.79 52.66 1kxy n ASP 66 Cb 0.52 -0.06 -0.01 0.00 -1.03 0.00 0.00 41.12 40.53 1kxy n ASP 66 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kxy n GLY 67 N -0.16 0.31 0.82 6.12 0.00 -1.26 -4.77 105.19 106.24 1kxy n GLY 67 Ca 0.03 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1kxy n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1kxy n ARG 68 N -0.15 0.00 -3.87 1.61 1.85 -1.26 -4.99 116.66 109.84 1kxy n ARG 68 Ca -0.02 -1.26 -0.30 0.00 -1.00 0.00 0.00 57.85 55.27 1kxy n ARG 68 Cb 0.42 -0.30 -0.14 0.00 -1.05 0.00 0.00 32.46 31.39 1kxy n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1kxy s THR 69 N 0.00 1.85 0.16 8.89 2.01 -1.26 -4.89 115.64 122.39 1kxy s THR 69 Ca 0.10 -2.42 -0.33 0.00 0.31 0.00 0.00 61.69 59.36 1kxy s THR 69 Cb 0.12 -2.33 -0.12 0.00 0.01 0.00 0.00 72.50 70.17 1kxy s THR 69 CO -0.05 -0.73 1.71 -2.65 -0.69 0.00 0.00 174.62 172.21 1kxy n PRO 70 N 3.95 2.54 -0.64 4.92 -0.02 -1.26 -1.87 135.00 142.62 1kxy n PRO 70 Ca 0.04 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1kxy n PRO 70 Cb 0.38 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 1kxy n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kxy n GLY 71 N 3.87 0.74 3.77 -1.23 0.00 -1.26 -5.03 105.19 106.04 1kxy n GLY 71 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1kxy n GLY 71 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kxy n SER 72 N 0.00 3.52 0.01 1.61 2.88 -0.78 -4.92 113.62 115.94 1kxy n SER 72 Ca 0.00 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 58.82 1kxy n SER 72 Cb 0.00 -1.61 -0.08 0.00 -0.75 0.00 0.00 64.21 61.77 1kxy n SER 72 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1kxy n ARG 73 N 0.14 0.38 -4.06 -1.46 1.74 -0.01 -4.96 116.66 108.43 1kxy n ARG 73 Ca 0.03 -0.07 -0.27 0.00 -0.77 0.00 0.00 57.85 56.78 1kxy n ARG 73 Cb 0.40 -1.56 -0.04 0.00 -1.02 0.00 0.00 32.46 30.23 1kxy n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1kxy n ASN 74 N -2.02 0.07 0.28 0.55 5.15 -1.05 -4.87 115.26 113.38 1kxy n ASN 74 Ca 0.00 -1.09 0.16 0.00 -0.60 0.00 0.00 54.58 53.05 1kxy n ASN 74 Cb 0.47 -2.62 0.83 0.00 -0.53 0.00 0.00 39.78 37.93 1kxy n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1kxy h LEU 75 N -1.82 0.00 -1.14 1.20 3.38 -0.64 -0.22 115.31 116.06 1kxy h LEU 75 Ca -0.64 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1kxy h LEU 75 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1kxy h LEU 75 CO 0.65 0.07 -0.10 0.00 0.09 0.00 0.00 178.44 179.14 1kxy n ASN 77 N 0.31 -5.23 -3.56 0.00 3.02 -0.10 -5.00 115.26 104.71 1kxy n ASN 77 Ca 0.15 -0.95 -0.17 0.00 -0.03 0.00 0.00 54.58 53.59 1kxy n ASN 77 Cb 0.43 -2.66 -0.06 0.00 -0.61 0.00 0.00 39.78 36.88 1kxy n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1kxy s ILE 78 N -3.26 0.01 0.46 2.41 -4.36 -1.26 -5.08 121.20 110.13 1kxy s ILE 78 Ca 0.26 -0.08 -0.22 0.00 -0.26 0.00 0.00 60.65 60.35 1kxy s ILE 78 Cb -0.11 -0.93 -0.08 0.00 1.25 0.00 0.00 42.46 42.58 1kxy s ILE 78 CO 0.88 -0.05 1.06 -2.16 0.24 0.00 0.00 174.94 174.92 1kxy s PRO 79 N -1.19 3.86 0.57 0.37 0.04 -1.26 -1.43 135.00 135.97 1kxy s PRO 79 Ca -0.11 1.47 0.25 0.00 0.04 0.00 0.00 61.00 62.66 1kxy s PRO 79 Cb -0.01 -2.25 1.65 0.00 0.04 0.00 0.00 34.50 33.92 1kxy s PRO 79 CO 0.09 -0.40 2.22 0.00 0.04 0.00 0.00 177.00 178.95 1kxy h SER 81 N 0.00 0.00 0.05 0.00 4.64 -1.91 -1.02 113.55 115.31 1kxy h SER 81 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1kxy h SER 81 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1kxy h SER 81 CO -0.00 0.09 -0.04 0.00 -0.87 0.00 0.00 176.83 176.01 1kxy h ALA 82 N 1.91 1.83 0.00 5.18 0.00 -1.78 -2.09 119.26 124.31 1kxy h ALA 82 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1kxy h ALA 82 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1kxy h ALA 82 CO 0.01 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1kxy n LEU 83 N -4.34 0.00 -0.69 0.00 4.77 -0.39 -3.17 117.00 113.19 1kxy n LEU 83 Ca -0.03 0.18 0.07 0.00 -0.03 0.00 0.00 56.01 56.21 1kxy n LEU 83 Cb 0.12 -0.18 0.12 0.00 -2.33 0.00 0.00 43.42 41.15 1kxy n LEU 83 CO 0.33 -0.05 0.56 0.18 -1.33 0.00 0.00 177.39 177.08 1kxy n LEU 84 N -1.18 2.62 -4.74 2.23 4.77 -0.78 -4.15 117.00 115.77 1kxy n LEU 84 Ca 0.13 -1.40 -0.32 0.00 -0.03 0.00 0.00 56.01 54.38 1kxy n LEU 84 Cb 0.14 -0.12 0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1kxy n LEU 84 CO 0.15 0.56 0.72 -0.55 -1.33 0.00 0.00 177.39 176.94 1kxy s SER 85 N -1.13 4.15 0.45 -1.43 0.15 -1.19 -4.21 113.70 110.50 1kxy s SER 85 Ca 0.22 2.03 0.25 0.00 0.70 0.00 0.00 55.95 59.15 1kxy s SER 85 Cb 0.14 -2.55 0.98 0.00 -1.71 0.00 0.00 66.02 62.88 1kxy s SER 85 CO 0.19 -2.28 1.85 0.77 1.20 0.00 0.00 173.24 174.97 1kxy h SER 86 N -1.00 0.00 -3.58 5.45 4.64 -1.94 -3.40 113.55 113.72 1kxy h SER 86 Ca -0.45 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.27 1kxy h SER 86 Cb 1.25 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.24 1kxy h SER 86 CO 0.49 0.20 0.52 -0.62 -0.87 0.00 0.00 176.83 176.55 1kxy s ASP 87 N -6.15 6.55 0.00 4.97 2.15 -1.26 -4.94 116.67 117.99 1kxy s ASP 87 Ca 0.00 0.28 0.19 0.00 0.43 0.00 0.00 52.55 53.45 1kxy s ASP 87 Cb 0.10 -2.44 1.12 0.00 -0.30 0.00 0.00 42.92 41.41 1kxy s ASP 87 CO 0.63 -0.91 1.56 2.30 -0.17 0.00 0.00 175.17 178.58 1kxy n ILE 88 N 6.13 0.00 -0.17 4.11 -5.35 -1.26 -4.29 119.36 118.53 1kxy n ILE 88 Ca 0.05 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.50 1kxy n ILE 88 Cb 0.48 -0.53 0.03 0.00 -1.74 0.00 0.00 39.64 37.89 1kxy n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1kxy h THR 89 N 0.00 0.38 -0.61 7.28 2.02 -1.94 0.60 112.91 120.63 1kxy h THR 89 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1kxy h THR 89 Cb 0.00 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 1kxy h THR 89 CO 0.00 0.00 0.37 0.00 0.37 0.00 0.00 175.52 176.26 1kxy h ALA 90 N 1.37 0.78 -0.37 6.16 0.00 -1.87 -0.41 119.26 124.92 1kxy h ALA 90 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1kxy h ALA 90 Cb 0.45 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1kxy h ALA 90 CO -0.58 0.26 0.24 0.77 0.00 0.00 0.00 179.25 179.94 1kxy h SER 91 N 0.83 0.43 -0.37 0.00 0.02 -1.64 -1.45 113.55 111.37 1kxy h SER 91 Ca 0.22 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.13 1kxy h SER 91 Cb -0.02 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1kxy h SER 91 CO -0.04 0.32 0.16 0.58 -1.14 0.00 0.00 176.83 176.71 1kxy h VAL 92 N 0.49 1.18 -0.70 2.27 2.07 -0.50 -0.27 116.25 120.79 1kxy h VAL 92 Ca 0.13 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1kxy h VAL 92 Cb -0.04 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1kxy h VAL 92 CO -0.03 0.19 0.30 0.78 0.02 0.00 0.00 177.57 178.84 1kxy h ASN 93 N 0.45 0.92 -0.19 0.57 -0.26 -0.90 -0.98 115.58 115.20 1kxy h ASN 93 Ca 0.12 -0.12 -0.16 0.00 -0.56 0.00 0.00 56.30 55.58 1kxy h ASN 93 Cb 0.16 -0.24 0.00 0.00 -1.06 0.00 0.00 38.32 37.18 1kxy h ASN 93 CO -0.01 0.81 -0.51 0.00 -1.06 0.00 0.00 177.43 176.66 1kxy h ALA 95 N 0.59 1.65 -0.99 0.00 0.00 -0.66 -0.80 119.26 119.05 1kxy h ALA 95 Ca -0.01 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1kxy h ALA 95 Cb 1.12 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1kxy h ALA 95 CO 0.11 0.28 0.64 0.87 0.00 0.00 0.00 179.25 181.15 1kxy h LYS 96 N 0.78 1.20 -0.28 0.00 1.57 -1.11 0.15 116.57 118.88 1kxy h LYS 96 Ca 0.27 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.81 1kxy h LYS 96 Cb 0.10 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1kxy h LYS 96 CO -0.08 0.80 -0.49 0.87 -0.57 0.00 0.00 179.45 179.98 1kxy h LYS 97 N 1.24 0.83 0.35 3.15 1.57 -1.12 -2.96 116.57 119.63 1kxy h LYS 97 Ca 0.39 -0.51 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1kxy h LYS 97 Cb 0.01 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1kxy h LYS 97 CO -0.13 1.15 -0.17 0.82 -0.57 0.00 0.00 179.45 180.55 1kxy h ILE 98 N 0.59 0.66 0.00 1.86 2.04 -0.87 -2.51 117.51 119.29 1kxy h ILE 98 Ca 0.02 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1kxy h ILE 98 Cb 1.09 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1kxy h ILE 98 CO 0.11 0.01 -0.00 1.62 0.00 0.00 0.00 178.15 179.88 1kxy h VAL 99 N -0.48 0.02 -0.01 1.67 3.04 -1.06 0.79 116.25 120.22 1kxy h VAL 99 Ca -0.05 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1kxy h VAL 99 Cb 0.37 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1kxy h VAL 99 CO 0.08 0.00 -0.21 -1.20 -1.01 0.00 0.00 177.57 175.23 1kxy n SER 100 N -3.10 1.22 0.00 3.17 7.64 -1.07 -3.61 113.62 117.86 1kxy n SER 100 Ca -0.02 -1.07 0.05 0.00 1.01 0.00 0.00 58.87 58.84 1kxy n SER 100 Cb 0.15 0.13 0.27 0.00 -1.01 0.00 0.00 64.21 63.75 1kxy n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1kxy n ASP 101 N -0.41 0.00 0.00 6.43 2.03 0.27 -4.81 116.55 120.06 1kxy n ASP 101 Ca 0.13 -0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1kxy n ASP 101 Cb 0.36 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 1kxy n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1kxy n GLY 102 N -0.43 1.81 0.49 0.27 0.00 -1.26 -4.88 105.19 101.19 1kxy n GLY 102 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 1kxy n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1kxy n ASN 103 N 0.00 2.19 0.00 1.61 3.02 -1.26 -5.09 115.26 115.73 1kxy n ASN 103 Ca 0.00 -1.61 0.00 0.00 -0.03 0.00 0.00 54.58 52.94 1kxy n ASN 103 Cb 0.00 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1kxy n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kxy n GLY 104 N 0.58 1.26 0.00 7.41 0.00 -1.24 -2.76 105.19 110.44 1kxy n GLY 104 Ca 0.08 -0.60 0.13 0.00 0.00 0.00 0.00 46.02 45.63 1kxy n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1kxy n MET 105 N 2.46 0.69 0.10 1.61 2.81 -1.26 -3.04 117.12 120.50 1kxy n MET 105 Ca 0.00 0.01 0.10 0.00 -1.81 0.00 0.00 57.70 56.00 1kxy n MET 105 Cb 0.00 -1.50 0.43 0.00 -0.71 0.00 0.00 33.22 31.44 1kxy n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1kxy n ASN 106 N -1.07 0.46 0.27 7.83 3.02 -1.11 -1.30 115.26 123.36 1kxy n ASN 106 Ca 0.17 0.63 0.13 0.00 -0.03 0.00 0.00 54.58 55.49 1kxy n ASN 106 Cb 0.12 -0.72 0.79 0.00 -0.61 0.00 0.00 39.78 39.35 1kxy n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kxy h ALA 107 N 2.25 1.42 -2.35 5.41 0.00 -1.72 -3.37 119.26 120.90 1kxy h ALA 107 Ca 0.00 -0.07 -0.74 0.00 0.00 0.00 0.00 54.91 54.11 1kxy h ALA 107 Cb 0.26 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 17.81 1kxy h ALA 107 CO 0.00 0.09 -0.35 -1.58 0.00 0.00 0.00 179.25 177.41 1kxy s TRP 108 N -4.41 3.25 0.34 0.00 0.51 -0.42 -4.97 118.94 113.24 1kxy s TRP 108 Ca -0.04 -0.90 0.06 0.00 -2.12 0.00 0.00 56.10 53.11 1kxy s TRP 108 Cb 0.14 -3.07 0.73 0.00 -0.81 0.00 0.00 33.47 30.46 1kxy s TRP 108 CO 0.58 -0.77 1.90 -0.24 -0.51 0.00 0.00 176.95 177.92 1kxy h VAL 109 N 5.75 0.94 -0.08 4.03 3.04 -1.84 -0.95 116.25 127.14 1kxy h VAL 109 Ca -0.28 -0.27 -0.11 0.00 -1.01 0.00 0.00 66.70 65.03 1kxy h VAL 109 Cb 1.11 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.46 1kxy h VAL 109 CO 0.85 0.14 -0.44 0.00 -1.01 0.00 0.00 177.57 177.12 1kxy h ALA 110 N 1.58 1.12 0.06 3.17 0.00 -1.93 -0.49 119.26 122.77 1kxy h ALA 110 Ca 0.40 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kxy h ALA 110 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1kxy h ALA 110 CO -0.16 0.60 -0.03 2.35 0.00 0.00 0.00 179.25 182.01 1kxy h TRP 111 N 0.15 -0.07 -0.42 0.00 7.01 -1.51 0.18 115.95 121.29 1kxy h TRP 111 Ca 0.01 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.04 1kxy h TRP 111 Cb 0.84 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.88 1kxy h TRP 111 CO 0.01 0.26 0.20 -0.09 -2.79 0.00 0.00 178.44 176.04 1kxy h ARG 112 N -0.41 0.39 0.00 2.65 2.43 -1.24 0.36 114.38 118.56 1kxy h ARG 112 Ca -0.01 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 1kxy h ARG 112 Cb 0.36 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 1kxy h ARG 112 CO 0.01 0.26 -0.59 -0.91 -1.51 0.00 0.00 179.97 177.23 1kxy h ASN 113 N 0.41 0.00 0.00 -3.80 2.35 -1.04 -3.37 115.58 110.13 1kxy h ASN 113 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1kxy h ASN 113 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1kxy h ASN 113 CO -0.13 0.43 0.00 0.54 -1.65 0.00 0.00 177.43 176.62 1kxy n ARG 114 N -3.14 3.59 -0.03 0.81 1.74 0.63 -4.89 116.66 115.36 1kxy n ARG 114 Ca 0.01 -0.04 -0.06 0.00 -0.77 0.00 0.00 57.85 56.98 1kxy n ARG 114 Cb 0.72 -0.37 -0.02 0.00 -1.02 0.00 0.00 32.46 31.77 1kxy n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kxy n LYS 116 N -3.17 0.82 -0.99 0.00 4.81 0.10 -1.42 118.16 118.32 1kxy n LYS 116 Ca -0.12 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1kxy n LYS 116 Cb 0.60 -1.91 0.00 0.00 0.02 0.00 0.00 35.03 33.74 1kxy n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1kxy n GLY 117 N 2.96 0.44 3.90 3.14 0.00 -1.26 -4.97 105.19 109.40 1kxy n GLY 117 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1kxy n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kxy s THR 118 N -1.97 2.41 -1.26 2.61 -4.23 -0.51 -4.99 115.64 107.70 1kxy s THR 118 Ca 0.00 -1.33 -0.19 0.00 -1.18 0.00 0.00 61.69 58.98 1kxy s THR 118 Cb 0.00 -2.75 0.04 0.00 1.34 0.00 0.00 72.50 71.13 1kxy s THR 118 CO 0.00 0.00 1.76 -0.62 -0.54 0.00 0.00 174.62 175.22 1kxy s ASP 119 N -4.22 6.49 0.62 3.99 2.15 -1.26 -4.73 116.67 119.71 1kxy s ASP 119 Ca 0.47 -2.25 0.40 0.00 0.43 0.00 0.00 52.55 51.60 1kxy s ASP 119 Cb -0.03 -2.58 2.04 0.00 -0.30 0.00 0.00 42.92 42.04 1kxy s ASP 119 CO 0.28 -1.54 2.24 -0.37 -0.17 0.00 0.00 175.17 175.61 1kxy h VAL 120 N 5.75 0.08 -0.22 1.11 -1.51 -1.90 -2.33 116.25 117.23 1kxy h VAL 120 Ca 0.39 -0.19 0.07 0.00 -1.23 0.00 0.00 66.70 65.74 1kxy h VAL 120 Cb 0.89 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 31.21 1kxy h VAL 120 CO 1.42 0.01 0.17 1.56 -1.23 0.00 0.00 177.57 179.50 1kxy h GLN 121 N 0.00 0.00 -0.14 5.19 7.50 -1.88 -1.16 115.11 124.62 1kxy h GLN 121 Ca -0.00 0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.19 1kxy h GLN 121 Cb 0.17 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.69 1kxy h GLN 121 CO 0.00 0.00 0.10 0.00 -1.50 0.00 0.00 178.83 177.43 1kxy h ALA 122 N 1.87 2.09 0.00 3.87 0.00 -1.82 -2.36 119.26 122.92 1kxy h ALA 122 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1kxy h ALA 122 Cb 0.44 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1kxy h ALA 122 CO -0.00 -0.17 -0.00 -1.49 0.00 0.00 0.00 179.25 177.58 1kxy h TRP 123 N 0.00 0.00 -0.05 0.00 4.06 -1.43 -2.82 115.95 115.72 1kxy h TRP 123 Ca 0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.02 1kxy h TRP 123 Cb 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1kxy h TRP 123 CO 0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1kxy n ILE 124 N -3.10 0.26 -1.86 1.49 -5.35 -0.90 -4.84 119.36 105.06 1kxy n ILE 124 Ca -0.01 -0.63 -0.41 0.00 -0.27 0.00 0.00 62.75 61.43 1kxy n ILE 124 Cb 0.19 0.94 -0.01 0.00 -1.74 0.00 0.00 39.64 39.02 1kxy n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1kxy s ARG 125 N -0.57 4.17 0.00 6.28 3.52 -1.07 -2.19 118.95 129.09 1kxy s ARG 125 Ca 0.07 2.49 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 1kxy s ARG 125 Cb 0.04 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.41 1kxy s ARG 125 CO 0.06 -0.51 0.00 0.41 -0.81 0.00 0.00 175.30 174.46 1kxy n GLY 126 N 1.34 2.35 3.77 8.12 0.00 -1.26 -5.02 105.19 114.49 1kxy n GLY 126 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1kxy n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kxy s ARG 128 N -1.64 3.25 0.00 0.00 3.52 -1.26 -5.13 118.95 117.69 1kxy s ARG 128 Ca 0.46 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.63 1kxy s ARG 128 Cb -0.22 -4.12 0.00 0.00 -1.56 0.00 0.00 34.95 29.05 1kxy s ARG 128 CO 0.28 -1.67 0.40 1.28 -0.81 0.00 0.00 175.30 174.78