#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kd1 s HIS 2 N 0.00 2.91 -0.27 1.12 3.76 -0.30 -4.43 115.29 118.09 1kd1 s HIS 2 Ca 0.00 -0.07 -0.13 0.00 -0.15 0.00 0.00 55.06 54.71 1kd1 s HIS 2 Cb 0.00 -1.49 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 1kd1 s HIS 2 CO 0.00 0.47 0.29 0.00 -0.85 0.00 0.00 174.74 174.65 1kd1 s ALA 3 N -1.34 3.55 -0.18 -1.40 0.00 0.91 -0.13 121.76 123.16 1kd1 s ALA 3 Ca 0.25 -0.93 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 1kd1 s ALA 3 Cb -0.11 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1kd1 s ALA 3 CO 0.17 -0.61 0.05 -0.51 0.00 0.00 0.00 175.76 174.87 1kd1 s LEU 4 N 1.93 3.78 -0.12 0.00 1.43 0.15 -3.00 118.68 122.84 1kd1 s LEU 4 Ca 0.11 0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1kd1 s LEU 4 Cb -0.16 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.14 1kd1 s LEU 4 CO 0.10 0.18 -0.07 -0.69 0.23 0.00 0.00 176.35 176.10 1kd1 s VAL 5 N 0.36 1.02 -0.03 -1.59 1.01 -0.04 -0.50 120.40 120.63 1kd1 s VAL 5 Ca 0.03 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 1kd1 s VAL 5 Cb -0.12 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1kd1 s VAL 5 CO 0.00 0.31 1.32 -1.58 0.00 0.00 0.00 175.10 175.15 1kd1 s GLN 6 N 1.70 4.31 0.00 2.72 0.74 -0.85 -0.74 119.66 127.54 1kd1 s GLN 6 Ca 0.04 1.84 0.05 0.00 0.05 0.00 0.00 55.36 57.34 1kd1 s GLN 6 Cb -0.13 -3.58 -0.02 0.00 1.10 0.00 0.00 33.01 30.39 1kd1 s GLN 6 CO -0.08 -0.53 0.37 1.28 -0.55 0.00 0.00 175.29 175.78 1kd1 n LEU 7 N 5.36 0.67 -4.14 3.68 4.77 -0.62 -0.36 117.00 126.34 1kd1 n LEU 7 Ca 0.12 -0.68 -0.25 0.00 -0.03 0.00 0.00 56.01 55.17 1kd1 n LEU 7 Cb 0.45 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.38 1kd1 n LEU 7 CO 0.57 0.15 -0.50 -0.13 -1.33 0.00 0.00 177.39 176.15 1kd1 s ARG 8 N -1.08 1.51 1.29 3.23 0.52 -1.13 -4.94 118.95 118.35 1kd1 s ARG 8 Ca 0.03 -0.59 -0.20 0.00 -0.52 0.00 0.00 55.73 54.45 1kd1 s ARG 8 Cb 0.04 -1.39 0.32 0.00 0.52 0.00 0.00 34.95 34.43 1kd1 s ARG 8 CO 0.15 0.31 1.02 0.20 0.02 0.00 0.00 175.30 177.00 1kd1 s GLY 9 N -0.21 1.50 0.19 -3.53 0.00 -1.26 -4.85 107.32 99.15 1kd1 s GLY 9 Ca 0.02 -0.79 0.12 0.00 0.00 0.00 0.00 44.72 44.07 1kd1 s GLY 9 CO 0.00 0.13 1.32 1.05 0.00 0.00 0.00 173.10 175.60 1kd1 h GLU 10 N -2.94 0.00 -6.42 2.90 4.11 -1.98 -3.43 114.58 106.83 1kd1 h GLU 10 Ca -0.46 0.00 -0.55 0.00 0.07 0.00 0.00 59.36 58.42 1kd1 h GLU 10 Cb 1.32 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.60 1kd1 h GLU 10 CO 0.34 0.70 1.14 0.28 0.07 0.00 0.00 179.01 181.55 1kd1 n VAL 11 N -3.26 0.54 -0.58 -1.06 0.31 -1.26 -1.82 118.33 111.20 1kd1 n VAL 11 Ca -0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1kd1 n VAL 11 Cb 0.84 -2.14 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1kd1 n VAL 11 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1kd1 n ASN 12 N 6.42 0.00 -4.78 4.52 3.02 -1.26 -5.01 115.26 118.17 1kd1 n ASN 12 Ca 0.19 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.35 1kd1 n ASN 12 Cb 0.37 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.27 1kd1 n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1kd1 s MET 13 N -0.06 4.42 0.30 3.52 0.23 -0.76 -4.97 119.30 121.99 1kd1 s MET 13 Ca 0.00 0.99 -0.25 0.00 -1.03 0.00 0.00 55.69 55.39 1kd1 s MET 13 Cb 0.00 -3.27 -0.15 0.00 -1.53 0.00 0.00 34.83 29.88 1kd1 s MET 13 CO 0.00 0.56 0.46 0.72 -2.03 0.00 0.00 175.02 174.73 1kd1 n HIS 14 N 1.79 -0.73 0.00 3.16 8.25 -1.26 -4.72 115.22 121.71 1kd1 n HIS 14 Ca -0.07 0.78 -0.12 0.00 -0.26 0.00 0.00 57.72 58.05 1kd1 n HIS 14 Cb 0.50 -1.95 -0.08 0.00 1.12 0.00 0.00 29.99 29.57 1kd1 n HIS 14 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1kd1 h THR 15 N 0.89 1.22 0.00 1.59 2.02 -1.96 -1.04 112.91 115.64 1kd1 h THR 15 Ca -0.34 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1kd1 h THR 15 Cb 1.42 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 1kd1 h THR 15 CO 0.54 0.17 0.02 -2.24 0.37 0.00 0.00 175.52 174.38 1kd1 h ASP 16 N -0.24 0.00 0.25 4.18 2.03 -2.00 0.26 116.42 120.89 1kd1 h ASP 16 Ca 0.00 0.00 -0.34 0.00 -0.73 0.00 0.00 57.03 55.96 1kd1 h ASP 16 Cb 0.28 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.79 1kd1 h ASP 16 CO 0.00 0.00 -1.71 0.40 -1.03 0.00 0.00 179.24 176.90 1kd1 h ILE 17 N 0.00 0.97 -0.43 4.15 2.04 -1.80 -3.16 117.51 119.28 1kd1 h ILE 17 Ca 0.00 -2.57 -0.07 0.00 1.00 0.00 0.00 64.86 63.22 1kd1 h ILE 17 Cb 0.04 2.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 1kd1 h ILE 17 CO 0.00 0.85 0.01 -0.61 0.00 0.00 0.00 178.15 178.39 1kd1 h GLN 18 N 0.10 0.75 -0.89 2.37 4.15 0.70 -2.32 115.11 119.97 1kd1 h GLN 18 Ca -0.32 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 58.87 1kd1 h GLN 18 Cb 2.08 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 29.66 1kd1 h GLN 18 CO 0.17 0.82 0.58 -0.44 -1.93 0.00 0.00 178.83 178.03 1kd1 h ASP 19 N 0.59 1.04 -0.08 -0.69 3.32 -0.96 -0.88 116.42 118.76 1kd1 h ASP 19 Ca 0.12 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.15 1kd1 h ASP 19 Cb 0.47 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1kd1 h ASP 19 CO 0.02 0.77 -0.02 0.74 -1.72 0.00 0.00 179.24 179.02 1kd1 h THR 20 N 1.22 0.91 -0.80 0.35 2.02 -1.41 0.44 112.91 115.64 1kd1 h THR 20 Ca 0.33 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.59 1kd1 h THR 20 Cb -0.11 0.91 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1kd1 h THR 20 CO -0.07 0.00 0.52 -0.07 0.37 0.00 0.00 175.52 176.27 1kd1 h LEU 21 N -0.01 0.71 -1.05 2.58 3.38 -0.87 0.33 115.31 120.38 1kd1 h LEU 21 Ca 0.04 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1kd1 h LEU 21 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1kd1 h LEU 21 CO -0.09 0.44 -0.47 -0.33 0.09 0.00 0.00 178.44 178.08 1kd1 h GLU 22 N 0.79 0.01 0.00 1.13 5.08 0.27 -0.21 114.58 121.65 1kd1 h GLU 22 Ca 0.36 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 1kd1 h GLU 22 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 1kd1 h GLU 22 CO -0.13 0.48 -0.08 0.52 -1.00 0.00 0.00 179.01 178.80 1kd1 h MET 23 N 0.01 0.00 -0.72 2.33 2.86 0.37 -2.11 114.93 117.66 1kd1 h MET 23 Ca -0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1kd1 h MET 23 Cb 0.84 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 1kd1 h MET 23 CO 0.06 0.08 0.08 1.28 1.06 0.00 0.00 176.91 179.47 1kd1 n LEU 24 N -3.15 4.91 -2.04 1.22 4.77 -0.46 -4.92 117.00 117.32 1kd1 n LEU 24 Ca 0.02 -2.51 -0.20 0.00 -0.03 0.00 0.00 56.01 53.29 1kd1 n LEU 24 Cb 0.44 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1kd1 n LEU 24 CO 0.32 0.61 -0.23 0.59 -1.33 0.00 0.00 177.39 177.34 1kd1 n ASN 25 N 0.29 -5.58 -4.12 -1.43 3.02 -0.79 -4.82 115.26 101.83 1kd1 n ASN 25 Ca 0.26 0.13 -0.33 0.00 -0.03 0.00 0.00 54.58 54.60 1kd1 n ASN 25 Cb 1.06 -4.67 -0.16 0.00 -0.61 0.00 0.00 39.78 35.41 1kd1 n ASN 25 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1kd1 s ILE 26 N -2.91 2.12 -0.15 2.41 -4.36 -0.14 -4.66 121.20 113.50 1kd1 s ILE 26 Ca 0.00 -1.04 0.01 0.00 -0.26 0.00 0.00 60.65 59.37 1kd1 s ILE 26 Cb 0.00 -1.95 0.03 0.00 1.25 0.00 0.00 42.46 41.79 1kd1 s ILE 26 CO 0.00 0.45 0.81 1.41 0.24 0.00 0.00 174.94 177.85 1kd1 n HIS 27 N 4.60 0.03 -3.76 1.37 8.25 -1.26 -3.57 115.22 120.87 1kd1 n HIS 27 Ca -0.20 -0.27 -0.10 0.00 -0.26 0.00 0.00 57.72 56.89 1kd1 n HIS 27 Cb 0.49 -0.03 -0.07 0.00 1.12 0.00 0.00 29.99 31.51 1kd1 n HIS 27 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1kd1 s HIS 28 N -0.60 -0.04 0.63 4.41 3.76 -1.26 -5.08 115.29 117.11 1kd1 s HIS 28 Ca 0.02 -0.23 -0.18 0.00 -0.15 0.00 0.00 55.06 54.52 1kd1 s HIS 28 Cb 0.01 0.08 -0.02 0.00 1.11 0.00 0.00 32.58 33.77 1kd1 s HIS 28 CO 0.02 -0.56 1.24 0.08 -0.85 0.00 0.00 174.74 174.67 1kd1 s VAL 29 N -3.25 2.37 0.00 -0.90 1.01 -1.26 -2.67 120.40 115.70 1kd1 s VAL 29 Ca -0.00 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1kd1 s VAL 29 Cb 0.02 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.36 1kd1 s VAL 29 CO -0.08 -0.06 0.00 0.59 0.00 0.00 0.00 175.10 175.55 1kd1 n ASN 30 N -1.87 -0.93 -4.77 3.32 3.02 0.51 -4.96 115.26 109.59 1kd1 n ASN 30 Ca 0.14 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.30 1kd1 n ASN 30 Cb 0.49 -1.42 -0.06 0.00 -0.61 0.00 0.00 39.78 38.18 1kd1 n ASN 30 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1kd1 s HIS 31 N -2.28 3.86 0.01 3.10 3.76 -1.09 -2.02 115.29 120.63 1kd1 s HIS 31 Ca 0.00 1.61 0.06 0.00 -0.15 0.00 0.00 55.06 56.58 1kd1 s HIS 31 Cb 0.00 -2.80 -0.02 0.00 1.11 0.00 0.00 32.58 30.87 1kd1 s HIS 31 CO 0.00 0.44 -0.18 0.00 -0.85 0.00 0.00 174.74 174.15 1kd1 s THR 33 N -0.58 0.69 -0.18 0.00 -1.32 0.34 0.19 115.64 114.79 1kd1 s THR 33 Ca 0.06 -1.99 -0.03 0.00 -1.21 0.00 0.00 61.69 58.53 1kd1 s THR 33 Cb -0.08 -2.17 -0.01 0.00 -1.51 0.00 0.00 72.50 68.73 1kd1 s THR 33 CO 0.00 -0.43 -0.07 -0.76 -2.21 0.00 0.00 174.62 171.15 1kd1 s LEU 34 N -3.19 2.90 -0.07 9.08 1.43 -1.26 0.31 118.68 127.87 1kd1 s LEU 34 Ca 0.25 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1kd1 s LEU 34 Cb 0.06 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.58 1kd1 s LEU 34 CO 0.05 0.07 -0.17 0.54 0.23 0.00 0.00 176.35 177.07 1kd1 s VAL 35 N 0.92 1.52 0.77 -1.59 0.11 0.81 -4.96 120.40 117.98 1kd1 s VAL 35 Ca -0.01 -0.71 -0.14 0.00 -2.93 0.00 0.00 61.98 58.18 1kd1 s VAL 35 Cb -0.15 -1.34 0.06 0.00 -1.53 0.00 0.00 36.38 33.42 1kd1 s VAL 35 CO 0.01 0.44 1.23 -2.84 -3.33 0.00 0.00 175.10 170.60 1kd1 s PRO 36 N 0.45 1.85 -0.84 1.54 0.02 -1.26 -1.15 135.00 135.61 1kd1 s PRO 36 Ca -0.15 1.83 -0.16 0.00 0.02 0.00 0.00 61.00 62.54 1kd1 s PRO 36 Cb -0.16 -1.79 0.17 0.00 0.02 0.00 0.00 34.50 32.74 1kd1 s PRO 36 CO 0.05 -2.07 0.91 -1.21 -0.33 0.00 0.00 177.00 174.35 1kd1 s GLU 37 N -3.96 3.54 0.31 5.54 2.02 -1.26 -4.69 118.70 120.20 1kd1 s GLU 37 Ca 0.75 -2.06 0.06 0.00 0.02 0.00 0.00 54.97 53.73 1kd1 s GLU 37 Cb -0.31 -4.61 -0.06 0.00 0.10 0.00 0.00 34.13 29.25 1kd1 s GLU 37 CO 0.48 -1.51 -0.01 0.99 0.02 0.00 0.00 175.26 175.23 1kd1 s THR 38 N 1.44 1.51 0.15 3.63 2.01 -1.26 -4.92 115.64 118.20 1kd1 s THR 38 Ca 0.23 -2.07 -0.16 0.00 0.31 0.00 0.00 61.69 60.00 1kd1 s THR 38 Cb -0.09 -2.62 0.01 0.00 0.01 0.00 0.00 72.50 69.81 1kd1 s THR 38 CO -0.08 -0.17 1.80 0.44 -0.69 0.00 0.00 174.62 175.92 1kd1 h ASP 39 N 2.18 0.39 -0.48 3.53 3.32 -1.98 0.31 116.42 123.68 1kd1 h ASP 39 Ca -0.41 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.62 1kd1 h ASP 39 Cb 1.24 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1kd1 h ASP 39 CO 0.69 0.28 0.22 0.00 -1.72 0.00 0.00 179.24 178.71 1kd1 h ALA 40 N 1.16 0.62 -0.11 3.45 0.00 -1.97 -2.31 119.26 120.11 1kd1 h ALA 40 Ca 0.15 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1kd1 h ALA 40 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1kd1 h ALA 40 CO -0.06 0.20 -0.59 1.88 0.00 0.00 0.00 179.25 180.68 1kd1 h TYR 41 N 0.64 0.45 -0.67 0.00 -1.99 -1.77 -3.16 116.97 110.47 1kd1 h TYR 41 Ca 0.16 -0.17 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1kd1 h TYR 41 Cb 0.14 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.76 1kd1 h TYR 41 CO -0.00 0.86 0.37 -0.09 -0.00 0.00 0.00 178.16 179.29 1kd1 h ARG 42 N 0.27 0.93 -0.86 4.88 2.43 -0.15 -1.67 114.38 120.20 1kd1 h ARG 42 Ca -0.00 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1kd1 h ARG 42 Cb 1.11 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.44 1kd1 h ARG 42 CO 0.10 0.70 0.42 0.78 -1.51 0.00 0.00 179.97 180.46 1kd1 h GLY 43 N 0.92 1.33 0.85 2.80 0.00 -1.41 -2.25 103.07 105.31 1kd1 h GLY 43 Ca 0.24 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1kd1 h GLY 43 CO -0.04 0.62 0.05 -0.33 0.00 0.00 0.00 176.54 176.84 1kd1 h MET 44 N 1.23 0.28 0.00 4.80 2.86 -1.39 -2.41 114.93 120.30 1kd1 h MET 44 Ca 0.30 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.83 1kd1 h MET 44 Cb 0.11 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1kd1 h MET 44 CO -0.04 0.41 -0.23 -0.39 1.06 0.00 0.00 176.91 177.72 1kd1 h VAL 45 N 0.11 0.95 -0.09 -2.22 -1.51 -1.18 -2.40 116.25 109.91 1kd1 h VAL 45 Ca 0.06 -0.85 -0.12 0.00 -1.23 0.00 0.00 66.70 64.56 1kd1 h VAL 45 Cb 0.24 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 1kd1 h VAL 45 CO -0.00 0.22 -0.48 0.00 -1.23 0.00 0.00 177.57 176.08 1kd1 h ALA 46 N 1.77 1.02 -0.01 5.19 0.00 -1.10 0.11 119.26 126.24 1kd1 h ALA 46 Ca -0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 1kd1 h ALA 46 Cb 0.47 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1kd1 h ALA 46 CO 0.03 0.64 -0.75 -0.22 0.00 0.00 0.00 179.25 178.96 1kd1 h LYS 47 N 0.19 0.12 -0.02 0.00 3.64 -0.97 -2.82 116.57 116.71 1kd1 h LYS 47 Ca 0.01 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1kd1 h LYS 47 Cb 0.92 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 1kd1 h LYS 47 CO 0.07 0.81 -0.09 0.28 -2.27 0.00 0.00 179.45 178.25 1kd1 n VAL 48 N -3.72 0.00 -0.57 2.00 0.31 -0.96 -4.60 118.33 110.80 1kd1 n VAL 48 Ca -0.02 -0.26 0.45 0.00 -0.01 0.00 0.00 64.34 64.50 1kd1 n VAL 48 Cb 0.72 0.69 0.75 0.00 -0.91 0.00 0.00 33.84 35.09 1kd1 n VAL 48 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1kd1 h ASN 49 N 2.49 0.10 -0.27 4.52 -0.73 -0.51 -2.07 115.58 119.11 1kd1 h ASN 49 Ca 0.00 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1kd1 h ASN 49 Cb 0.60 0.06 0.00 0.00 0.27 0.00 0.00 38.32 39.25 1kd1 h ASN 49 CO 0.00 -0.09 0.00 0.47 -0.37 0.00 0.00 177.43 177.44 1kd1 n ASP 50 N -4.29 2.19 -0.49 1.15 8.00 -1.26 -3.38 116.55 118.46 1kd1 n ASP 50 Ca 0.40 -1.83 0.01 0.00 0.71 0.00 0.00 54.79 54.09 1kd1 n ASP 50 Cb 1.73 -0.17 0.02 0.00 -0.02 0.00 0.00 41.12 42.67 1kd1 n ASP 50 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1kd1 n PHE 51 N 0.67 0.00 -4.07 1.24 3.01 -0.78 -4.95 117.46 112.58 1kd1 n PHE 51 Ca 0.16 -0.14 -0.11 0.00 1.01 0.00 0.00 57.45 58.38 1kd1 n PHE 51 Cb 0.40 -0.07 -0.04 0.00 -0.01 0.00 0.00 39.48 39.76 1kd1 n PHE 51 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1kd1 n VAL 52 N -0.15 0.00 -3.74 -4.37 3.14 -1.23 -1.59 118.33 110.39 1kd1 n VAL 52 Ca 0.02 -1.35 -0.15 0.00 -2.96 0.00 0.00 64.34 59.90 1kd1 n VAL 52 Cb 0.71 0.71 -0.16 0.00 -1.06 0.00 0.00 33.84 34.05 1kd1 n VAL 52 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1kd1 s ALA 53 N -2.65 -0.07 0.06 1.55 0.00 0.08 -2.50 121.76 118.23 1kd1 s ALA 53 Ca 0.22 0.47 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 1kd1 s ALA 53 Cb 0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.68 1kd1 s ALA 53 CO 0.16 -0.22 0.11 -0.59 0.00 0.00 0.00 175.76 175.21 1kd1 s PHE 54 N 1.37 0.26 0.00 0.00 -0.12 -0.96 -0.86 117.98 117.67 1kd1 s PHE 54 Ca -0.06 -0.68 0.00 0.00 -0.05 0.00 0.00 56.93 56.14 1kd1 s PHE 54 Cb -0.12 -0.17 0.00 0.00 -0.63 0.00 0.00 43.02 42.10 1kd1 s PHE 54 CO -0.04 -0.45 0.00 0.41 -0.05 0.00 0.00 175.22 175.09 1kd1 n GLY 55 N 0.25 1.19 3.62 1.99 0.00 -1.16 0.22 105.19 111.30 1kd1 n GLY 55 Ca -0.16 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 1kd1 n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kd1 s GLU 56 N -2.00 4.06 0.54 1.61 2.12 -1.26 -0.07 118.70 123.70 1kd1 s GLU 56 Ca 0.00 0.53 -0.09 0.00 0.36 0.00 0.00 54.97 55.77 1kd1 s GLU 56 Cb 0.00 -3.67 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 1kd1 s GLU 56 CO 0.00 -0.48 0.91 -1.25 -0.54 0.00 0.00 175.26 173.90 1kd1 s PRO 57 N 2.60 3.63 0.48 4.30 0.04 -1.26 -4.13 135.00 140.66 1kd1 s PRO 57 Ca 0.27 0.54 -0.14 0.00 0.04 0.00 0.00 61.00 61.70 1kd1 s PRO 57 Cb -0.15 -2.22 -0.07 0.00 0.04 0.00 0.00 34.50 32.09 1kd1 s PRO 57 CO 0.09 -0.36 0.92 -1.54 0.04 0.00 0.00 177.00 176.16 1kd1 s SER 58 N -3.96 6.58 0.19 6.66 1.04 -1.26 -4.86 113.70 118.08 1kd1 s SER 58 Ca 0.52 1.43 -0.22 0.00 0.48 0.00 0.00 55.95 58.16 1kd1 s SER 58 Cb -0.11 -2.45 0.11 0.00 0.10 0.00 0.00 66.02 63.67 1kd1 s SER 58 CO 0.46 -0.54 1.57 -0.61 0.98 0.00 0.00 173.24 175.11 1kd1 h GLN 59 N 0.98 -0.15 -0.01 4.02 5.75 -1.98 -1.32 115.11 122.40 1kd1 h GLN 59 Ca -0.47 0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.07 1kd1 h GLN 59 Cb 1.19 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.71 1kd1 h GLN 59 CO 0.62 -0.10 -0.49 0.93 -2.65 0.00 0.00 178.83 177.14 1kd1 h GLU 60 N -0.15 -0.61 -0.32 1.69 5.08 -1.99 -1.52 114.58 116.77 1kd1 h GLU 60 Ca 0.23 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.70 1kd1 h GLU 60 Cb 0.56 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 1kd1 h GLU 60 CO -0.74 -0.40 -0.18 1.15 -1.00 0.00 0.00 179.01 177.84 1kd1 h THR 61 N -0.63 0.49 -0.56 1.13 2.02 -1.78 0.16 112.91 113.73 1kd1 h THR 61 Ca 0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.30 1kd1 h THR 61 Cb 0.70 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 1kd1 h THR 61 CO -0.35 0.00 0.17 0.25 0.37 0.00 0.00 175.52 175.96 1kd1 h LEU 62 N -0.13 0.12 -0.58 2.58 5.85 -0.97 0.01 115.31 122.18 1kd1 h LEU 62 Ca 0.16 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1kd1 h LEU 62 Cb 0.38 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1kd1 h LEU 62 CO -0.40 0.08 0.35 -0.33 -0.34 0.00 0.00 178.44 177.80 1kd1 h GLU 63 N 0.32 0.68 -0.29 1.25 5.08 -0.07 0.38 114.58 121.94 1kd1 h GLU 63 Ca 0.28 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1kd1 h GLU 63 Cb 0.37 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1kd1 h GLU 63 CO -0.32 0.45 0.19 1.15 -1.00 0.00 0.00 179.01 179.48 1kd1 h THR 64 N 0.70 1.08 -0.21 1.13 2.02 0.77 -1.34 112.91 117.06 1kd1 h THR 64 Ca 0.23 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.24 1kd1 h THR 64 Cb 0.01 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1kd1 h THR 64 CO -0.09 0.07 0.02 0.58 0.37 0.00 0.00 175.52 176.47 1kd1 h VAL 65 N 0.39 1.24 0.04 3.16 2.07 -0.64 -0.89 116.25 121.62 1kd1 h VAL 65 Ca 0.11 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.84 1kd1 h VAL 65 Cb -0.04 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1kd1 h VAL 65 CO -0.02 0.25 -0.29 -0.07 0.02 0.00 0.00 177.57 177.46 1kd1 h LEU 66 N 0.15 -0.86 -0.65 2.57 3.38 -0.09 0.92 115.31 120.72 1kd1 h LEU 66 Ca 0.06 0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.23 1kd1 h LEU 66 Cb 0.36 0.34 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 1kd1 h LEU 66 CO 0.01 -0.37 0.31 0.00 0.09 0.00 0.00 178.44 178.47 1kd1 h ALA 67 N 0.28 0.87 0.07 1.53 0.00 -1.22 0.18 119.26 120.97 1kd1 h ALA 67 Ca 0.05 0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 1kd1 h ALA 67 Cb 0.53 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1kd1 h ALA 67 CO -0.22 -0.09 -1.11 0.00 0.00 0.00 0.00 179.25 177.83 1kd1 h THR 68 N 0.54 1.58 0.00 0.00 1.03 -0.24 -3.41 112.91 112.41 1kd1 h THR 68 Ca 0.32 -3.14 0.00 0.00 -0.01 0.00 0.00 66.41 63.57 1kd1 h THR 68 Cb 0.32 2.85 0.00 0.00 -1.07 0.00 0.00 68.15 70.26 1kd1 h THR 68 CO -0.26 0.91 -0.24 0.54 -0.01 0.00 0.00 175.52 176.46 1kd1 n ARG 69 N -3.48 0.69 -2.53 0.00 5.12 0.31 -5.05 116.66 111.72 1kd1 n ARG 69 Ca -0.05 -1.68 -0.29 0.00 -1.93 0.00 0.00 57.85 53.90 1kd1 n ARG 69 Cb 0.97 -0.95 -0.01 0.00 -1.16 0.00 0.00 32.46 31.31 1kd1 n ARG 69 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1kd1 s ALA 70 N -1.28 3.30 0.04 7.54 0.00 0.04 -4.05 121.76 127.35 1kd1 s ALA 70 Ca 0.14 -0.29 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 1kd1 s ALA 70 Cb 0.12 -2.75 0.01 0.00 0.00 0.00 0.00 23.12 20.50 1kd1 s ALA 70 CO 0.01 -0.31 0.23 -1.21 0.00 0.00 0.00 175.76 174.47 1kd1 s GLU 71 N -4.53 0.73 0.92 0.00 2.02 -1.26 -4.28 118.70 112.29 1kd1 s GLU 71 Ca 0.51 -0.60 -0.12 0.00 0.02 0.00 0.00 54.97 54.78 1kd1 s GLU 71 Cb -0.10 0.31 0.14 0.00 0.10 0.00 0.00 34.13 34.57 1kd1 s GLU 71 CO 0.42 -0.22 1.09 -2.14 0.02 0.00 0.00 175.26 174.43 1kd1 s PRO 72 N -2.58 1.09 0.60 0.39 0.02 -1.26 -0.70 135.00 132.56 1kd1 s PRO 72 Ca -0.05 0.83 0.30 0.00 0.02 0.00 0.00 61.00 62.10 1kd1 s PRO 72 Cb -0.01 -1.79 1.72 0.00 0.02 0.00 0.00 34.50 34.45 1kd1 s PRO 72 CO -0.04 -2.36 2.11 1.25 -0.33 0.00 0.00 177.00 177.63 1kd1 h LEU 73 N -1.64 0.00 -7.31 -5.54 5.85 -1.48 -3.31 115.31 101.88 1kd1 h LEU 73 Ca -0.50 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.10 1kd1 h LEU 73 Cb 1.29 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 42.07 1kd1 h LEU 73 CO 0.54 0.00 -0.25 -1.61 -0.34 0.00 0.00 178.44 176.78 1kd1 s GLU 74 N -4.56 0.46 0.00 1.25 2.02 -1.26 -4.82 118.70 111.79 1kd1 s GLU 74 Ca -0.05 0.59 0.00 0.00 0.02 0.00 0.00 54.97 55.54 1kd1 s GLU 74 Cb 0.15 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.57 1kd1 s GLU 74 CO 0.52 -0.07 0.00 0.41 0.02 0.00 0.00 175.26 176.13 1kd1 n GLY 75 N 3.07 1.05 0.08 -1.39 0.00 -1.26 -4.82 105.19 101.92 1kd1 n GLY 75 Ca -0.15 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.72 1kd1 n GLY 75 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kd1 h ASP 76 N 0.00 0.21 -0.13 1.61 3.32 -2.01 -3.39 116.42 116.02 1kd1 h ASP 76 Ca 0.00 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.72 1kd1 h ASP 76 Cb 0.00 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.49 1kd1 h ASP 76 CO 0.00 1.18 0.01 0.00 -1.72 0.00 0.00 179.24 178.71 1kd1 n ALA 77 N -2.45 -0.90 -2.06 3.45 0.00 -1.26 -4.84 120.51 112.45 1kd1 n ALA 77 Ca -0.05 0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.06 1kd1 n ALA 77 Cb 0.99 -0.23 -0.05 0.00 0.00 0.00 0.00 19.45 20.16 1kd1 n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1kd1 s ASP 78 N 0.01 7.46 -0.93 0.00 -0.00 -1.26 -4.41 116.67 117.53 1kd1 s ASP 78 Ca 0.12 1.94 -0.18 0.00 -0.00 0.00 0.00 52.55 54.43 1kd1 s ASP 78 Cb -0.17 -2.60 0.14 0.00 -0.00 0.00 0.00 42.92 40.30 1kd1 s ASP 78 CO 0.07 -0.06 1.10 -0.69 -0.00 0.00 0.00 175.17 175.59 1kd1 s VAL 79 N -0.42 4.85 0.56 -1.27 1.01 -1.26 -4.75 120.40 119.12 1kd1 s VAL 79 Ca 0.46 -1.73 0.05 0.00 0.00 0.00 0.00 61.98 60.76 1kd1 s VAL 79 Cb -0.26 -4.75 0.05 0.00 0.00 0.00 0.00 36.38 31.42 1kd1 s VAL 79 CO 0.32 -1.46 0.43 1.51 0.00 0.00 0.00 175.10 175.90 1kd1 s ASP 80 N 3.42 4.62 0.17 3.32 1.47 -1.26 -4.42 116.67 123.99 1kd1 s ASP 80 Ca 0.31 -1.28 -0.20 0.00 1.18 0.00 0.00 52.55 52.57 1kd1 s ASP 80 Cb -0.05 0.53 0.09 0.00 -0.34 0.00 0.00 42.92 43.14 1kd1 s ASP 80 CO -0.09 -1.17 1.63 0.44 0.68 0.00 0.00 175.17 176.66 1kd1 h ASP 81 N 0.69 -0.69 -0.46 2.11 3.32 -1.93 0.17 116.42 119.62 1kd1 h ASP 81 Ca -0.36 0.15 0.09 0.00 0.02 0.00 0.00 57.03 56.93 1kd1 h ASP 81 Cb 1.31 0.36 -0.07 0.00 0.22 0.00 0.00 39.33 41.15 1kd1 h ASP 81 CO 0.56 -0.24 0.02 -0.08 -1.72 0.00 0.00 179.24 177.78 1kd1 h GLU 82 N -0.14 0.13 0.12 3.56 4.81 -1.96 0.36 114.58 121.46 1kd1 h GLU 82 Ca 0.19 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1kd1 h GLU 82 Cb 0.43 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.75 1kd1 h GLU 82 CO -0.46 0.08 -0.22 2.35 -0.73 0.00 0.00 179.01 180.03 1kd1 h TRP 83 N 0.13 -0.59 -0.42 0.92 7.01 -1.51 0.16 115.95 121.66 1kd1 h TRP 83 Ca 0.23 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.32 1kd1 h TRP 83 Cb 0.34 0.24 -0.07 0.00 -2.10 0.00 0.00 29.16 27.57 1kd1 h TRP 83 CO -0.28 -0.32 -0.05 0.28 -2.79 0.00 0.00 178.44 175.28 1kd1 h VAL 84 N -0.42 0.63 -0.44 2.65 2.07 0.33 0.64 116.25 121.71 1kd1 h VAL 84 Ca 0.03 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 1kd1 h VAL 84 Cb 0.44 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1kd1 h VAL 84 CO -0.12 0.01 -0.07 0.00 0.02 0.00 0.00 177.57 177.41 1kd1 h ALA 85 N 1.40 0.60 0.00 1.67 0.00 0.16 0.35 119.26 123.43 1kd1 h ALA 85 Ca 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1kd1 h ALA 85 Cb 0.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1kd1 h ALA 85 CO -0.39 0.45 0.00 0.39 0.00 0.00 0.00 179.25 179.71 1kd1 n GLU 86 N -4.32 0.75 0.00 0.00 1.02 0.52 -4.01 120.64 114.60 1kd1 n GLU 86 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1kd1 n GLU 86 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1kd1 n GLU 86 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1kd1 n HIS 87 N -1.11 0.00 -4.57 -0.32 8.25 0.17 -5.04 115.22 112.59 1kd1 n HIS 87 Ca 0.20 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.34 1kd1 n HIS 87 Cb 0.16 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 1kd1 n HIS 87 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1kd1 s THR 88 N -0.97 1.27 0.03 1.59 2.01 0.12 -4.89 115.64 114.80 1kd1 s THR 88 Ca 0.00 -1.89 0.19 0.00 0.31 0.00 0.00 61.69 60.31 1kd1 s THR 88 Cb 0.00 -2.15 0.15 0.00 0.01 0.00 0.00 72.50 70.51 1kd1 s THR 88 CO 0.00 0.00 1.67 0.44 -0.69 0.00 0.00 174.62 176.04 1kd1 h ASP 89 N 1.22 0.00 -3.37 3.53 3.32 -1.89 -3.45 116.42 115.79 1kd1 h ASP 89 Ca -0.42 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.17 1kd1 h ASP 89 Cb 1.31 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.96 1kd1 h ASP 89 CO 0.71 0.36 0.22 -0.31 -1.72 0.00 0.00 179.24 178.49 1kd1 s TYR 90 N -3.40 2.36 -0.21 4.55 1.51 -1.26 -5.02 117.35 115.88 1kd1 s TYR 90 Ca 0.02 0.23 0.21 0.00 -1.01 0.00 0.00 57.07 56.51 1kd1 s TYR 90 Cb 0.09 -3.30 -0.31 0.00 -0.11 0.00 0.00 41.96 38.34 1kd1 s TYR 90 CO 0.69 -1.68 0.54 -0.25 -1.11 0.00 0.00 175.55 173.74 1kd1 n ASP 91 N -3.02 0.34 -3.69 2.29 8.00 -1.26 -4.03 116.55 115.18 1kd1 n ASP 91 Ca 0.11 -0.19 -0.06 0.00 0.71 0.00 0.00 54.79 55.36 1kd1 n ASP 91 Cb 0.60 1.77 -0.02 0.00 -0.02 0.00 0.00 41.12 43.46 1kd1 n ASP 91 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1kd1 s ASP 92 N -4.13 -0.28 0.24 -2.24 -4.77 -1.26 -4.04 116.67 100.19 1kd1 s ASP 92 Ca -0.05 -0.32 -0.09 0.00 -3.30 0.00 0.00 52.55 48.79 1kd1 s ASP 92 Cb 0.14 0.54 0.38 0.00 -1.09 0.00 0.00 42.92 42.88 1kd1 s ASP 92 CO 0.87 -0.95 1.62 0.40 0.70 0.00 0.00 175.17 177.80 1kd1 h ILE 93 N 2.00 0.29 -0.71 2.11 2.04 -1.85 0.16 117.51 121.53 1kd1 h ILE 93 Ca -0.24 -0.01 0.13 0.00 1.00 0.00 0.00 64.86 65.74 1kd1 h ILE 93 Cb 1.25 0.24 -0.09 0.00 -0.74 0.00 0.00 36.82 37.47 1kd1 h ILE 93 CO 0.27 0.01 0.26 0.28 0.00 0.00 0.00 178.15 178.97 1kd1 h SER 94 N 0.04 0.22 -0.83 1.72 0.02 -1.96 0.34 113.55 113.11 1kd1 h SER 94 Ca 0.39 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.44 1kd1 h SER 94 Cb 0.65 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 1kd1 h SER 94 CO -0.73 0.09 0.49 1.23 -1.14 0.00 0.00 176.83 176.77 1kd1 h GLY 95 N 0.40 1.21 0.63 -3.77 0.00 -1.11 -0.23 103.07 100.21 1kd1 h GLY 95 Ca 0.39 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1kd1 h GLY 95 CO -0.40 0.50 -0.16 -2.00 0.00 0.00 0.00 176.54 174.48 1kd1 h LEU 96 N 1.15 -0.38 -0.39 3.11 5.85 -0.21 -2.72 115.31 121.72 1kd1 h LEU 96 Ca 0.30 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.93 1kd1 h LEU 96 Cb -0.02 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 1kd1 h LEU 96 CO -0.05 0.01 -0.27 0.00 -0.34 0.00 0.00 178.44 177.79 1kd1 h ALA 97 N -0.36 -0.05 -0.56 1.25 0.00 -0.27 0.41 119.26 119.68 1kd1 h ALA 97 Ca -0.05 0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1kd1 h ALA 97 Cb 0.52 0.60 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 1kd1 h ALA 97 CO 0.08 -0.65 0.02 0.35 0.00 0.00 0.00 179.25 179.05 1kd1 h PHE 98 N -0.20 -0.00 -0.78 0.00 3.57 -1.05 -0.24 116.94 118.24 1kd1 h PHE 98 Ca 0.18 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.77 1kd1 h PHE 98 Cb 0.49 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 1kd1 h PHE 98 CO -0.49 -0.12 0.51 0.00 -2.23 0.00 0.00 178.31 175.99 1kd1 h ALA 99 N 1.49 1.58 0.13 2.41 0.00 -0.65 0.29 119.26 124.51 1kd1 h ALA 99 Ca 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1kd1 h ALA 99 Cb 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1kd1 h ALA 99 CO -0.46 0.32 -0.06 -0.07 0.00 0.00 0.00 179.25 178.98 1kd1 h LEU 100 N 0.91 -0.15 -0.49 0.00 3.38 0.14 0.46 115.31 119.55 1kd1 h LEU 100 Ca 0.32 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1kd1 h LEU 100 Cb 0.13 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 1kd1 h LEU 100 CO -0.10 0.28 0.17 -0.07 0.09 0.00 0.00 178.44 178.81 1kd1 h LEU 101 N -0.62 0.16 0.00 1.67 3.38 -0.70 0.18 115.31 119.38 1kd1 h LEU 101 Ca -0.02 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1kd1 h LEU 101 Cb 0.47 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1kd1 h LEU 101 CO 0.03 0.12 0.00 -1.54 0.09 0.00 0.00 178.44 177.14 1kd1 n SER 102 N -5.02 0.00 -3.84 -0.43 3.41 0.06 -4.26 113.62 103.54 1kd1 n SER 102 Ca 0.05 -1.41 -0.26 0.00 -0.26 0.00 0.00 58.87 56.99 1kd1 n SER 102 Cb 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1kd1 n SER 102 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1kd1 n GLU 103 N -0.70 -3.07 0.00 4.33 1.02 0.62 -4.90 120.64 117.94 1kd1 n GLU 103 Ca 0.09 0.45 0.11 0.00 -0.02 0.00 0.00 57.16 57.79 1kd1 n GLU 103 Cb 0.04 -4.54 -0.15 0.00 -0.02 0.00 0.00 31.44 26.77 1kd1 n GLU 103 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1kd1 n GLU 104 N -4.33 0.65 -2.06 3.49 4.07 0.15 -5.01 120.64 117.61 1kd1 n GLU 104 Ca -0.26 -0.16 -0.03 0.00 -0.06 0.00 0.00 57.16 56.65 1kd1 n GLU 104 Cb 0.66 -1.55 -0.00 0.00 -0.06 0.00 0.00 31.44 30.48 1kd1 n GLU 104 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1kd1 n THR 105 N -2.32 0.00 -3.99 6.31 5.66 -1.22 -5.04 114.28 113.68 1kd1 n THR 105 Ca -0.04 -0.40 -0.09 0.00 -3.05 0.00 0.00 64.05 60.47 1kd1 n THR 105 Cb 0.58 0.26 -0.08 0.00 -1.55 0.00 0.00 70.33 69.54 1kd1 n THR 105 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1kd1 s THR 106 N -2.58 0.11 0.47 1.09 -4.23 -1.26 -4.63 115.64 104.61 1kd1 s THR 106 Ca 0.06 -1.49 0.16 0.00 -1.18 0.00 0.00 61.69 59.25 1kd1 s THR 106 Cb -0.00 -1.74 0.33 0.00 1.34 0.00 0.00 72.50 72.43 1kd1 s THR 106 CO 0.05 -0.48 2.02 -0.07 -0.54 0.00 0.00 174.62 175.59 1kd1 h LEU 107 N 2.72 0.22 0.23 4.79 3.38 -1.91 -2.21 115.31 122.53 1kd1 h LEU 107 Ca -0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1kd1 h LEU 107 Cb 1.21 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1kd1 h LEU 107 CO 0.54 0.14 -0.11 0.03 0.09 0.00 0.00 178.44 179.13 1kd1 h ARG 108 N 0.25 -0.30 -1.68 1.13 3.08 -1.85 1.07 114.38 116.08 1kd1 h ARG 108 Ca 0.21 0.02 0.49 0.00 0.07 0.00 0.00 59.98 60.77 1kd1 h ARG 108 Cb 0.52 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.56 1kd1 h ARG 108 CO -0.04 0.06 1.20 0.93 -1.07 0.00 0.00 179.97 181.05 1kd1 h GLU 109 N -0.92 0.01 -0.75 0.04 5.08 -1.73 1.57 114.58 117.88 1kd1 h GLU 109 Ca -0.03 -0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.05 1kd1 h GLU 109 Cb 0.49 -0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.57 1kd1 h GLU 109 CO 0.05 0.01 0.32 1.04 -1.00 0.00 0.00 179.01 179.43 1kd1 n GLN 110 N -4.07 3.16 -2.23 2.33 1.13 -0.89 -4.92 117.38 111.88 1kd1 n GLN 110 Ca 0.38 -3.07 -0.20 0.00 -1.94 0.00 0.00 57.00 52.16 1kd1 n GLN 110 Cb 1.73 -2.16 -0.03 0.00 0.11 0.00 0.00 30.24 29.90 1kd1 n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1kd1 n GLY 111 N -0.51 0.01 3.59 1.08 0.00 0.54 -4.80 105.19 105.10 1kd1 n GLY 111 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 1kd1 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kd1 s LEU 112 N -5.74 3.10 0.29 0.99 1.43 0.37 -1.38 118.68 117.73 1kd1 s LEU 112 Ca 0.00 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.45 1kd1 s LEU 112 Cb 0.00 -1.89 -0.11 0.00 0.03 0.00 0.00 46.19 44.22 1kd1 s LEU 112 CO 0.00 0.18 1.56 -0.55 0.23 0.00 0.00 176.35 177.77 1kd1 s SER 113 N -2.22 6.43 0.00 2.29 0.15 0.13 -3.01 113.70 117.47 1kd1 s SER 113 Ca 0.22 2.90 0.08 0.00 0.70 0.00 0.00 55.95 59.85 1kd1 s SER 113 Cb -0.11 -2.63 0.42 0.00 -1.71 0.00 0.00 66.02 61.98 1kd1 s SER 113 CO 0.14 -0.87 1.10 -2.65 1.20 0.00 0.00 173.24 172.17 1kd1 n PRO 114 N 2.11 0.13 -5.17 5.44 -0.02 -1.26 -4.65 135.00 131.59 1kd1 n PRO 114 Ca 0.07 0.18 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 1kd1 n PRO 114 Cb 0.38 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.20 1kd1 n PRO 114 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1kd1 s THR 115 N -2.49 2.25 -0.51 3.45 2.01 -1.26 -4.44 115.64 114.64 1kd1 s THR 115 Ca 0.08 -0.98 -0.12 0.00 0.31 0.00 0.00 61.69 60.98 1kd1 s THR 115 Cb 0.05 -1.85 0.13 0.00 0.01 0.00 0.00 72.50 70.84 1kd1 s THR 115 CO 0.12 0.56 0.42 -0.76 -0.69 0.00 0.00 174.62 174.27 1kd1 s LEU 116 N 0.02 5.92 -0.66 4.42 1.43 0.13 -4.68 118.68 125.25 1kd1 s LEU 116 Ca -0.08 -1.89 -0.27 0.00 -1.03 0.00 0.00 54.13 50.86 1kd1 s LEU 116 Cb -0.15 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.99 1kd1 s LEU 116 CO 0.05 -0.76 1.45 -0.13 0.23 0.00 0.00 176.35 177.19 1kd1 s ARG 117 N 1.43 3.09 0.80 1.70 0.52 -1.26 -0.83 118.95 124.40 1kd1 s ARG 117 Ca 0.05 0.14 -0.11 0.00 -0.52 0.00 0.00 55.73 55.29 1kd1 s ARG 117 Cb -0.27 -4.21 0.10 0.00 0.52 0.00 0.00 34.95 31.08 1kd1 s ARG 117 CO 0.01 -2.22 1.15 -0.51 0.02 0.00 0.00 175.30 173.74 1kd1 s LEU 118 N 6.57 2.65 0.27 2.53 1.43 -0.86 -4.89 118.68 126.39 1kd1 s LEU 118 Ca 0.47 0.54 0.04 0.00 -1.03 0.00 0.00 54.13 54.16 1kd1 s LEU 118 Cb -0.10 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.10 1kd1 s LEU 118 CO 0.19 -1.96 0.41 -2.28 0.23 0.00 0.00 176.35 172.94 1kd1 s HIS 119 N -3.51 3.42 0.73 0.29 5.65 -0.53 -4.80 115.29 116.54 1kd1 s HIS 119 Ca 0.64 0.03 -0.16 0.00 0.25 0.00 0.00 55.06 55.82 1kd1 s HIS 119 Cb -0.09 -1.68 0.03 0.00 -1.18 0.00 0.00 32.58 29.66 1kd1 s HIS 119 CO 0.48 0.33 1.12 -2.30 -0.65 0.00 0.00 174.74 173.73 1kd1 n PRO 120 N -1.51 0.56 -2.08 2.88 -0.02 -1.26 -4.49 135.00 129.08 1kd1 n PRO 120 Ca -0.07 0.25 -0.43 0.00 -2.02 0.00 0.00 63.50 61.23 1kd1 n PRO 120 Cb 0.57 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1kd1 n PRO 120 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1kd1 s PRO 121 N -3.59 3.92 -0.09 0.52 0.04 -1.26 -4.49 135.00 130.06 1kd1 s PRO 121 Ca 0.76 1.84 -0.29 0.00 0.04 0.00 0.00 61.00 63.34 1kd1 s PRO 121 Cb -0.34 -4.02 -0.06 0.00 0.04 0.00 0.00 34.50 30.13 1kd1 s PRO 121 CO 0.48 -1.15 1.83 1.03 0.04 0.00 0.00 177.00 179.23 1kd1 s ARG 122 N 4.46 3.92 0.00 4.56 0.52 0.51 -0.34 118.95 132.59 1kd1 s ARG 122 Ca 0.72 2.18 0.00 0.00 -0.52 0.00 0.00 55.73 58.11 1kd1 s ARG 122 Cb -0.28 -4.11 0.00 0.00 0.52 0.00 0.00 34.95 31.08 1kd1 s ARG 122 CO 0.29 -1.17 0.00 0.41 0.02 0.00 0.00 175.30 174.85 1kd1 n GLY 123 N 4.62 0.20 0.00 -3.53 0.00 -1.26 -4.88 105.19 100.34 1kd1 n GLY 123 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1kd1 n GLY 123 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kd1 n GLY 124 N -1.83 -2.17 4.00 -0.02 0.00 0.54 -5.03 105.19 100.68 1kd1 n GLY 124 Ca 0.00 -1.36 -0.22 0.00 0.00 0.00 0.00 46.02 44.44 1kd1 n GLY 124 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1kd1 s HIS 125 N -3.72 1.68 -1.48 1.61 -3.43 -1.26 -4.98 115.29 103.72 1kd1 s HIS 125 Ca 0.00 -0.36 0.17 0.00 -0.80 0.00 0.00 55.06 54.06 1kd1 s HIS 125 Cb 0.00 -2.77 0.86 0.00 -1.43 0.00 0.00 32.58 29.24 1kd1 s HIS 125 CO 0.00 -1.47 1.48 -0.25 -2.00 0.00 0.00 174.74 172.50 1kd1 n ASP 126 N -2.62 0.00 0.00 7.38 8.00 -1.26 -4.96 116.55 123.09 1kd1 n ASP 126 Ca 0.14 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1kd1 n ASP 126 Cb 0.61 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 1kd1 n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kd1 n GLY 127 N 0.12 3.41 1.84 0.44 0.00 -1.26 -4.44 105.19 105.30 1kd1 n GLY 127 Ca 0.08 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.30 1kd1 n GLY 127 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1kd1 n VAL 128 N -0.21 2.96 -0.05 1.61 0.24 -1.26 -0.58 118.33 121.04 1kd1 n VAL 128 Ca 0.00 -2.95 0.00 0.00 -2.04 0.00 0.00 64.34 59.35 1kd1 n VAL 128 Cb 0.00 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.64 1kd1 n VAL 128 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1kd1 n LYS 129 N -1.00 3.39 -3.90 7.34 5.02 -1.26 -5.01 118.16 122.74 1kd1 n LYS 129 Ca 0.48 -0.16 -0.11 0.00 -2.02 0.00 0.00 58.31 56.50 1kd1 n LYS 129 Cb 1.04 -0.62 -0.11 0.00 -0.02 0.00 0.00 35.03 35.33 1kd1 n LYS 129 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1kd1 s HIS 130 N -0.53 0.10 1.07 2.13 3.76 -1.26 -5.06 115.29 115.49 1kd1 s HIS 130 Ca 0.00 -0.22 -0.18 0.00 -0.15 0.00 0.00 55.06 54.51 1kd1 s HIS 130 Cb 0.00 -0.08 0.24 0.00 1.11 0.00 0.00 32.58 33.85 1kd1 s HIS 130 CO 0.00 -0.23 1.25 -1.25 -0.85 0.00 0.00 174.74 173.66 1kd1 s PRO 131 N -1.27 -0.21 0.08 8.40 0.04 -1.26 -1.87 135.00 138.91 1kd1 s PRO 131 Ca -0.14 -0.34 -0.24 0.00 0.04 0.00 0.00 61.00 60.32 1kd1 s PRO 131 Cb -0.08 -1.74 -0.16 0.00 0.04 0.00 0.00 34.50 32.57 1kd1 s PRO 131 CO 0.01 -3.00 1.70 0.28 0.04 0.00 0.00 177.00 176.03 1kd1 h VAL 132 N -2.06 0.94 0.00 -0.36 2.07 -1.38 1.15 116.25 116.61 1kd1 h VAL 132 Ca -0.44 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1kd1 h VAL 132 Cb 1.25 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1kd1 h VAL 132 CO 0.34 0.01 0.16 0.29 0.02 0.00 0.00 177.57 178.39 1kd1 n LYS 133 N -5.13 0.07 -0.13 1.57 5.02 -1.26 -0.56 118.16 117.74 1kd1 n LYS 133 Ca -0.08 0.52 0.04 0.00 -2.02 0.00 0.00 58.31 56.77 1kd1 n LYS 133 Cb 0.08 -1.88 0.11 0.00 -0.02 0.00 0.00 35.03 33.31 1kd1 n LYS 133 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1kd1 n GLU 134 N -1.86 2.81 -0.28 1.97 1.02 -0.84 -4.96 120.64 118.50 1kd1 n GLU 134 Ca -0.01 -1.96 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 1kd1 n GLU 134 Cb 0.17 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1kd1 n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kd1 n GLY 135 N -0.09 0.76 0.00 0.62 0.00 0.27 -4.83 105.19 101.92 1kd1 n GLY 135 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1kd1 n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kd1 n GLY 136 N -2.00 0.29 0.10 -0.02 0.00 0.39 -4.66 105.19 99.29 1kd1 n GLY 136 Ca 0.00 -1.85 0.01 0.00 0.00 0.00 0.00 46.02 44.18 1kd1 n GLY 136 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1kd1 n GLN 137 N -0.64 0.83 -3.30 1.61 -0.06 0.26 -3.89 117.38 112.18 1kd1 n GLN 137 Ca 0.00 -1.03 -0.31 0.00 -2.00 0.00 0.00 57.00 53.65 1kd1 n GLN 137 Cb 0.00 -1.04 -0.05 0.00 -4.06 0.00 0.00 30.24 25.09 1kd1 n GLN 137 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1kd1 s LEU 138 N -0.52 4.10 0.00 1.69 1.43 -1.10 -4.62 118.68 119.66 1kd1 s LEU 138 Ca 0.03 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.11 1kd1 s LEU 138 Cb 0.02 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1kd1 s LEU 138 CO 0.03 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.07 1kd1 n GLY 139 N -0.38 -1.80 3.77 -3.19 0.00 -1.04 -1.49 105.19 101.06 1kd1 n GLY 139 Ca 0.01 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 1kd1 n GLY 139 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1kd1 s LYS 140 N 0.00 3.87 0.34 1.61 2.20 -1.26 -2.26 119.74 124.25 1kd1 s LYS 140 Ca 0.00 1.86 0.06 0.00 -0.36 0.00 0.00 55.97 57.53 1kd1 s LYS 140 Cb 0.00 -2.54 -0.07 0.00 -1.51 0.00 0.00 37.83 33.71 1kd1 s LYS 140 CO 0.00 -0.48 0.01 -1.01 -0.36 0.00 0.00 175.35 173.51 1kd1 s HIS 141 N -1.45 2.18 0.62 4.03 3.76 0.13 -4.74 115.29 119.81 1kd1 s HIS 141 Ca 0.61 -0.77 -0.13 0.00 -0.15 0.00 0.00 55.06 54.62 1kd1 s HIS 141 Cb -0.31 -1.41 -0.03 0.00 1.11 0.00 0.00 32.58 31.94 1kd1 s HIS 141 CO 0.38 0.25 1.04 -0.51 -0.85 0.00 0.00 174.74 175.05 1kd1 s ASP 142 N -3.56 5.96 0.36 1.40 1.01 -1.26 -4.55 116.67 116.03 1kd1 s ASP 142 Ca 0.34 1.58 0.05 0.00 0.71 0.00 0.00 52.55 55.23 1kd1 s ASP 142 Cb 0.08 -2.50 0.67 0.00 1.01 0.00 0.00 42.92 42.18 1kd1 s ASP 142 CO 0.16 -1.05 1.93 0.74 0.21 0.00 0.00 175.17 177.16 1kd1 h THR 143 N -0.08 1.17 -0.00 -1.27 2.02 -1.97 1.03 112.91 113.80 1kd1 h THR 143 Ca -0.45 -0.61 -0.19 0.00 0.77 0.00 0.00 66.41 65.93 1kd1 h THR 143 Cb 1.20 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1kd1 h THR 143 CO 0.59 0.22 -0.84 -0.08 0.37 0.00 0.00 175.52 175.78 1kd1 h GLU 144 N 0.52 0.19 -0.02 6.66 4.81 -1.91 -1.97 114.58 122.87 1kd1 h GLU 144 Ca 0.12 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1kd1 h GLU 144 Cb 0.21 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 1kd1 h GLU 144 CO -0.00 0.92 -0.01 0.78 -0.73 0.00 0.00 179.01 179.97 1kd1 h GLY 145 N 1.84 0.04 1.00 1.92 0.00 -1.29 -2.66 103.07 103.92 1kd1 h GLY 145 Ca -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1kd1 h GLY 145 CO 0.13 0.03 0.21 -2.22 0.00 0.00 0.00 176.54 174.69 1kd1 h ILE 146 N -0.37 1.24 -0.62 2.60 1.08 0.94 -2.72 117.51 119.66 1kd1 h ILE 146 Ca 0.00 -0.78 0.09 0.00 -0.39 0.00 0.00 64.86 63.78 1kd1 h ILE 146 Cb 0.43 0.61 -0.07 0.00 -3.07 0.00 0.00 36.82 34.73 1kd1 h ILE 146 CO 0.00 0.30 0.26 0.44 -0.69 0.00 0.00 178.15 178.46 1kd1 h ASP 147 N 0.85 0.30 -0.25 1.72 5.19 -1.37 0.14 116.42 123.00 1kd1 h ASP 147 Ca 0.20 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.68 1kd1 h ASP 147 Cb 0.25 0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1kd1 h ASP 147 CO -0.01 0.18 0.15 0.44 -3.12 0.00 0.00 179.24 176.88 1kd1 h ASP 148 N 0.47 0.25 0.38 6.45 3.32 -1.17 0.34 116.42 126.45 1kd1 h ASP 148 Ca 0.30 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.34 1kd1 h ASP 148 Cb 0.34 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1kd1 h ASP 148 CO -0.27 0.18 -0.18 0.25 -1.72 0.00 0.00 179.24 177.50 1kd1 h LEU 149 N 0.31 -0.43 -0.67 1.55 5.85 -1.22 0.53 115.31 121.23 1kd1 h LEU 149 Ca 0.10 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.86 1kd1 h LEU 149 Cb -0.01 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 1kd1 h LEU 149 CO -0.04 -0.24 0.34 -0.07 -0.34 0.00 0.00 178.44 178.09 1kd1 h LEU 150 N -0.59 0.47 -0.91 2.25 3.38 -0.55 -1.53 115.31 117.83 1kd1 h LEU 150 Ca -0.05 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1kd1 h LEU 150 Cb 0.44 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1kd1 h LEU 150 CO 0.09 0.28 -0.12 -0.33 0.09 0.00 0.00 178.44 178.45 1kd1 h GLU 151 N 0.61 0.67 0.00 1.13 5.08 -0.15 -1.32 114.58 120.59 1kd1 h GLU 151 Ca 0.32 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1kd1 h GLU 151 Cb 0.29 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1kd1 h GLU 151 CO -0.23 0.77 -0.03 0.00 -1.00 0.00 0.00 179.01 178.51 1kd1 h ALA 152 N 1.26 1.02 -0.42 3.43 0.00 0.05 -2.79 119.26 121.81 1kd1 h ALA 152 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1kd1 h ALA 152 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1kd1 h ALA 152 CO 0.04 0.04 0.00 -1.33 0.00 0.00 0.00 179.25 178.00 1kd1 n MET 153 N -3.16 2.99 0.00 0.00 2.81 -0.67 -0.36 117.12 118.73 1kd1 n MET 153 Ca -0.00 -2.39 0.00 0.00 -1.81 0.00 0.00 57.70 53.50 1kd1 n MET 153 Cb 0.28 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1kd1 n MET 153 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35