#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd1 s GLU 2 N 0.00 3.32 0.33 0.03 2.02 -1.26 -4.97 118.70 118.17 2kd1 s GLU 2 Ca 0.00 1.48 -0.27 0.00 0.02 0.00 0.00 54.97 56.19 2kd1 s GLU 2 Cb 0.00 -4.21 -0.09 0.00 0.10 0.00 0.00 34.13 29.93 2kd1 s GLU 2 CO 0.00 -1.87 1.13 -1.25 0.02 0.00 0.00 175.26 173.29 2kd1 s PRO 3 N 5.71 4.39 0.01 0.39 0.04 -1.26 -4.97 135.00 139.31 2kd1 s PRO 3 Ca 0.81 1.81 -0.25 0.00 0.04 0.00 0.00 61.00 63.41 2kd1 s PRO 3 Cb -0.23 -2.94 -0.18 0.00 0.04 0.00 0.00 34.50 31.18 2kd1 s PRO 3 CO 0.34 -0.02 1.38 0.77 0.04 0.00 0.00 177.00 179.51 2kd1 h SER 4 N 3.26 -0.07 -5.81 6.66 0.02 -2.05 -3.46 113.55 112.09 2kd1 h SER 4 Ca -0.48 -0.30 -0.43 0.00 -0.84 0.00 0.00 61.79 59.75 2kd1 h SER 4 Cb 1.22 0.02 -0.10 0.00 0.14 0.00 0.00 62.40 63.68 2kd1 h SER 4 CO 0.65 0.27 -0.64 0.29 -1.14 0.00 0.00 176.83 176.26 2kd1 n LYS 5 N -4.97 -3.67 -2.79 3.45 4.76 -1.26 -4.84 118.16 108.84 2kd1 n LYS 5 Ca -0.08 0.48 -0.42 0.00 -2.87 0.00 0.00 58.31 55.41 2kd1 n LYS 5 Cb 0.20 -5.22 -0.03 0.00 -1.84 0.00 0.00 35.03 28.13 2kd1 n LYS 5 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2kd1 s LEU 6 N -6.76 4.01 0.39 -0.35 2.96 -1.26 -5.00 118.68 112.67 2kd1 s LEU 6 Ca 0.51 0.78 -0.24 0.00 -0.22 0.00 0.00 54.13 54.95 2kd1 s LEU 6 Cb -0.27 -3.30 -0.09 0.00 0.50 0.00 0.00 46.19 43.03 2kd1 s LEU 6 CO 0.62 -0.78 1.04 -0.94 -1.32 0.00 0.00 176.35 174.97 2kd1 s SER 7 N 1.71 6.81 0.44 3.68 1.04 -1.26 -1.28 113.70 124.84 2kd1 s SER 7 Ca 0.39 2.02 0.11 0.00 0.48 0.00 0.00 55.95 58.95 2kd1 s SER 7 Cb -0.13 -2.59 0.99 0.00 0.10 0.00 0.00 66.02 64.40 2kd1 s SER 7 CO 0.15 -0.45 2.06 0.22 0.98 0.00 0.00 173.24 176.20 2kd1 h TYR 8 N 2.56 0.28 -0.49 5.02 3.20 -1.31 -1.31 116.97 124.93 2kd1 h TYR 8 Ca -0.48 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.30 2kd1 h TYR 8 Cb 1.21 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 2kd1 h TYR 8 CO 0.58 0.22 -0.06 0.78 -1.64 0.00 0.00 178.16 178.04 2kd1 h GLY 9 N 0.39 0.94 1.95 1.82 0.00 -1.64 0.04 103.07 106.58 2kd1 h GLY 9 Ca 0.08 -0.69 -0.14 0.00 0.00 0.00 0.00 47.33 46.57 2kd1 h GLY 9 CO -0.01 0.64 -0.66 0.83 0.00 0.00 0.00 176.54 177.33 2kd1 h GLU 10 N 0.79 0.05 -0.50 4.80 4.39 -1.64 -3.11 114.58 119.36 2kd1 h GLU 10 Ca 0.14 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 2kd1 h GLU 10 Cb 0.57 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2kd1 h GLU 10 CO 0.03 0.69 -0.16 -0.92 -1.16 0.00 0.00 179.01 177.50 2kd1 h TYR 11 N 0.03 1.13 -0.05 4.33 3.20 -0.86 -3.12 116.97 121.63 2kd1 h TYR 11 Ca -0.01 -0.26 -0.00 0.00 3.14 0.00 0.00 58.73 61.60 2kd1 h TYR 11 Cb 1.18 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 2kd1 h TYR 11 CO 0.01 1.08 0.03 -0.07 -1.64 0.00 0.00 178.16 177.56 2kd1 h LEU 12 N 0.86 0.06 0.08 2.82 3.38 -0.93 -0.47 115.31 121.12 2kd1 h LEU 12 Ca 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2kd1 h LEU 12 Cb 0.74 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2kd1 h LEU 12 CO 0.06 0.05 -0.04 -0.33 0.09 0.00 0.00 178.44 178.27 2kd1 h GLU 13 N 0.07 -0.10 -0.22 1.13 4.39 -1.51 -1.43 114.58 116.91 2kd1 h GLU 13 Ca 0.02 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 2kd1 h GLU 13 Cb 0.00 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2kd1 h GLU 13 CO -0.00 0.16 -0.10 0.77 -1.16 0.00 0.00 179.01 178.68 2kd1 h SER 14 N -0.37 0.47 -0.57 1.42 0.02 -1.45 -2.57 113.55 110.49 2kd1 h SER 14 Ca -0.01 -0.40 0.02 0.00 -0.84 0.00 0.00 61.79 60.56 2kd1 h SER 14 Cb 0.32 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 2kd1 h SER 14 CO 0.02 0.77 0.35 -0.25 -1.14 0.00 0.00 176.83 176.58 2kd1 h TRP 15 N 0.16 0.66 -0.23 3.45 7.01 -1.20 -3.07 115.95 122.73 2kd1 h TRP 15 Ca 0.05 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.09 2kd1 h TRP 15 Cb 0.59 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.41 2kd1 h TRP 15 CO 0.06 0.38 0.07 0.35 -2.79 0.00 0.00 178.44 176.52 2kd1 h PHE 16 N 0.70 0.13 -0.65 2.65 3.57 -1.13 -1.97 116.94 120.24 2kd1 h PHE 16 Ca 0.23 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.86 2kd1 h PHE 16 Cb 0.00 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.63 2kd1 h PHE 16 CO -0.05 0.06 0.18 -0.91 -2.23 0.00 0.00 178.31 175.35 2kd1 h ASN 17 N 0.17 0.08 1.46 0.41 2.35 -1.36 0.19 115.58 118.88 2kd1 h ASN 17 Ca 0.10 0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.85 2kd1 h ASN 17 Cb 0.08 0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 2kd1 h ASN 17 CO -0.12 0.04 -0.54 0.00 -1.65 0.00 0.00 177.43 175.16 2kd1 h THR 18 N 0.31 0.93 0.00 2.81 1.03 -1.59 -3.31 112.91 113.09 2kd1 h THR 18 Ca 0.34 -2.31 -0.11 0.00 -0.01 0.00 0.00 66.41 64.33 2kd1 h THR 18 Cb 0.51 2.46 -0.02 0.00 -1.07 0.00 0.00 68.15 70.03 2kd1 h THR 18 CO -0.40 0.53 -0.51 0.50 -0.01 0.00 0.00 175.52 175.62 2kd1 h LYS 19 N 0.00 0.00 -0.26 0.00 1.63 -0.21 -3.07 116.57 114.65 2kd1 h LYS 19 Ca -0.01 0.00 0.08 0.00 -0.85 0.00 0.00 60.65 59.87 2kd1 h LYS 19 Cb 1.42 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.04 2kd1 h LYS 19 CO 0.07 0.51 0.21 0.00 -3.45 0.00 0.00 179.45 176.79 2kd1 h ARG 20 N 0.00 0.00 0.00 1.90 3.08 -1.32 -0.70 114.38 117.34 2kd1 h ARG 20 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2kd1 h ARG 20 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 2kd1 h ARG 20 CO 0.07 0.00 -0.09 0.45 -1.07 0.00 0.00 179.97 179.33 2kd1 h HIS 21 N 0.00 0.00 0.00 3.04 3.86 -1.75 -1.30 115.15 119.00 2kd1 h HIS 21 Ca 0.12 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.28 2kd1 h HIS 21 Cb 0.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 2kd1 h HIS 21 CO 0.00 0.09 -0.88 0.43 0.86 0.00 0.00 177.93 178.43 2kd1 n SER 22 N -3.19 1.87 0.14 2.45 7.64 -0.35 -4.62 113.62 117.55 2kd1 n SER 22 Ca 0.01 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2kd1 n SER 22 Cb 0.41 -0.84 0.16 0.00 -1.01 0.00 0.00 64.21 62.92 2kd1 n SER 22 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2kd1 h VAL 23 N -1.00 1.24 0.00 0.44 -1.51 -1.45 -3.50 116.25 110.48 2kd1 h VAL 23 Ca -0.09 -2.17 0.00 0.00 -1.23 0.00 0.00 66.70 63.21 2kd1 h VAL 23 Cb 0.82 2.23 0.00 0.00 -2.13 0.00 0.00 31.29 32.22 2kd1 h VAL 23 CO -0.05 0.58 0.00 0.61 -1.23 0.00 0.00 177.57 177.48 2kd1 n GLY 24 N 0.55 2.50 0.18 5.19 0.00 -0.49 -4.58 105.19 108.54 2kd1 n GLY 24 Ca -0.00 -1.77 -0.07 0.00 0.00 0.00 0.00 46.02 44.18 2kd1 n GLY 24 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kd1 h ILE 25 N 0.00 1.04 -0.18 -0.61 1.08 -1.96 0.18 117.51 117.06 2kd1 h ILE 25 Ca 0.00 -0.17 -0.08 0.00 -0.39 0.00 0.00 64.86 64.22 2kd1 h ILE 25 Cb 0.00 0.50 -0.00 0.00 -3.07 0.00 0.00 36.82 34.25 2kd1 h ILE 25 CO 0.00 0.09 -0.21 0.06 -0.69 0.00 0.00 178.15 177.40 2kd1 h GLN 26 N 0.49 0.45 -0.67 2.37 3.07 -1.93 -2.24 115.11 116.65 2kd1 h GLN 26 Ca 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 58.65 58.64 2kd1 h GLN 26 Cb 0.01 0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.56 2kd1 h GLN 26 CO -0.08 0.83 0.36 1.15 0.09 0.00 0.00 178.83 181.19 2kd1 h THR 27 N 0.10 1.20 -0.37 1.86 2.02 -1.78 -2.99 112.91 112.95 2kd1 h THR 27 Ca 0.02 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 2kd1 h THR 27 Cb 0.76 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2kd1 h THR 27 CO 0.05 0.22 0.08 0.00 0.37 0.00 0.00 175.52 176.24 2kd1 h ALA 28 N 1.48 0.49 -0.88 6.16 0.00 -0.83 -2.19 119.26 123.48 2kd1 h ALA 28 Ca 0.24 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.08 2kd1 h ALA 28 Cb 0.02 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 2kd1 h ALA 28 CO -0.04 0.18 0.57 -0.22 0.00 0.00 0.00 179.25 179.74 2kd1 h LYS 29 N 0.46 0.73 -0.18 0.00 3.11 -1.26 -0.66 116.57 118.77 2kd1 h LYS 29 Ca 0.12 -0.04 -0.09 0.00 -2.81 0.00 0.00 60.65 57.82 2kd1 h LYS 29 Cb 0.32 -0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 31.39 2kd1 h LYS 29 CO 0.00 0.49 -0.25 0.28 -2.81 0.00 0.00 179.45 177.16 2kd1 h VAL 30 N 0.76 1.34 -0.65 2.00 2.07 -1.39 -2.75 116.25 117.62 2kd1 h VAL 30 Ca 0.43 -1.46 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 2kd1 h VAL 30 Cb 0.60 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 2kd1 h VAL 30 CO -0.19 0.44 0.18 -0.07 0.02 0.00 0.00 177.57 177.94 2kd1 h LEU 31 N 0.13 0.95 -0.74 2.57 3.38 -0.68 -2.60 115.31 118.31 2kd1 h LEU 31 Ca 0.02 -0.18 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 2kd1 h LEU 31 Cb 0.82 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2kd1 h LEU 31 CO 0.06 0.90 -0.26 0.50 0.09 0.00 0.00 178.44 179.73 2kd1 h LYS 32 N 0.97 0.67 -0.81 1.13 3.64 -1.19 -1.14 116.57 119.84 2kd1 h LYS 32 Ca 0.21 -0.28 0.09 0.00 -1.27 0.00 0.00 60.65 59.40 2kd1 h LYS 32 Cb 0.32 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 2kd1 h LYS 32 CO -0.00 0.87 0.53 0.78 -2.27 0.00 0.00 179.45 179.35 2kd1 h GLY 33 N 0.99 1.08 1.88 5.01 0.00 -1.15 -2.07 103.07 108.81 2kd1 h GLY 33 Ca 0.08 -0.32 -0.23 0.00 0.00 0.00 0.00 47.33 46.86 2kd1 h GLY 33 CO 0.06 0.19 -1.06 -0.97 0.00 0.00 0.00 176.54 174.76 2kd1 h TYR 34 N 0.77 0.16 0.37 5.60 0.05 -1.20 -3.00 116.97 119.72 2kd1 h TYR 34 Ca 0.37 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 59.02 2kd1 h TYR 34 Cb 0.40 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.12 2kd1 h TYR 34 CO -0.00 1.08 -0.25 -0.07 -1.05 0.00 0.00 178.16 177.87 2kd1 h LEU 35 N 0.03 -0.63 -0.45 3.88 3.38 -0.53 0.12 115.31 121.11 2kd1 h LEU 35 Ca -0.05 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 2kd1 h LEU 35 Cb 1.81 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.75 2kd1 h LEU 35 CO 0.15 -0.39 -0.62 0.78 0.09 0.00 0.00 178.44 178.46 2kd1 h ASN 36 N -0.60 0.61 0.07 -0.43 2.35 -1.61 0.85 115.58 116.82 2kd1 h ASN 36 Ca -0.04 -0.35 -0.00 0.00 -0.55 0.00 0.00 56.30 55.36 2kd1 h ASN 36 Cb 0.51 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2kd1 h ASN 36 CO 0.02 1.08 -0.03 -1.28 -1.65 0.00 0.00 177.43 175.57 2kd1 h SER 37 N 0.40 -0.08 0.00 5.81 0.87 -1.48 -3.37 113.55 115.70 2kd1 h SER 37 Ca -0.01 -0.44 -0.13 0.00 -1.23 0.00 0.00 61.79 59.98 2kd1 h SER 37 Cb 1.18 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 2kd1 h SER 37 CO 0.11 0.42 -1.31 0.54 -0.53 0.00 0.00 176.83 176.07 2kd1 n ARG 38 N -4.89 0.53 0.04 2.24 5.12 0.02 -4.68 116.66 115.04 2kd1 n ARG 38 Ca -0.09 0.30 -0.19 0.00 -1.93 0.00 0.00 57.85 55.94 2kd1 n ARG 38 Cb 0.26 -1.51 -0.13 0.00 -1.16 0.00 0.00 32.46 29.92 2kd1 n ARG 38 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2kd1 h ILE 39 N -1.00 1.48 -0.44 0.55 5.03 -1.28 -3.28 117.51 118.58 2kd1 h ILE 39 Ca -0.19 -2.39 0.06 0.00 -0.12 0.00 0.00 64.86 62.21 2kd1 h ILE 39 Cb 1.09 3.00 -0.05 0.00 -3.03 0.00 0.00 36.82 37.83 2kd1 h ILE 39 CO -0.12 0.69 0.15 0.40 -0.68 0.00 0.00 178.15 178.59 2kd1 h ILE 40 N -0.26 0.86 0.00 -0.67 5.03 -1.03 0.50 117.51 121.94 2kd1 h ILE 40 Ca -0.12 -0.11 -0.01 0.00 -0.12 0.00 0.00 64.86 64.50 2kd1 h ILE 40 Cb 1.56 0.51 -0.00 0.00 -3.03 0.00 0.00 36.82 35.86 2kd1 h ILE 40 CO 0.15 0.06 -0.04 1.55 -0.68 0.00 0.00 178.15 179.19 2kd1 h PRO 41 N 0.32 0.00 0.00 2.37 0.13 -1.76 -1.67 132.00 131.40 2kd1 h PRO 41 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2kd1 h PRO 41 Cb 0.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.33 2kd1 h PRO 41 CO -0.21 0.04 0.00 0.45 -0.23 0.00 0.00 178.00 178.05 2kd1 n SER 42 N -3.14 0.00 -0.00 1.44 2.88 -0.31 -4.75 113.62 109.74 2kd1 n SER 42 Ca 0.01 0.04 0.10 0.00 -1.33 0.00 0.00 58.87 57.69 2kd1 n SER 42 Cb 0.34 -0.35 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 2kd1 n SER 42 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kd1 n LEU 43 N -2.12 0.64 0.00 2.46 4.77 0.15 -4.41 117.00 118.50 2kd1 n LEU 43 Ca 0.00 -0.29 -0.18 0.00 -0.03 0.00 0.00 56.01 55.51 2kd1 n LEU 43 Cb 0.00 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 40.98 2kd1 n LEU 43 CO 0.00 0.15 0.23 1.23 -1.33 0.00 0.00 177.39 177.67 2kd1 h GLY 44 N 4.64 0.63 1.78 -0.72 0.00 -0.70 -2.92 103.07 105.78 2kd1 h GLY 44 Ca 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 47.33 46.30 2kd1 h GLY 44 CO 0.00 0.91 0.12 -0.57 0.00 0.00 0.00 176.54 177.00 2kd1 h ASN 45 N 0.17 0.26 -3.94 0.19 -0.73 -1.53 -2.34 115.58 107.66 2kd1 h ASN 45 Ca -0.08 -0.01 -0.51 0.00 1.87 0.00 0.00 56.30 57.57 2kd1 h ASN 45 Cb 1.40 -0.07 0.06 0.00 0.27 0.00 0.00 38.32 39.98 2kd1 h ASN 45 CO 0.15 0.22 0.54 -0.63 -0.37 0.00 0.00 177.43 177.33 2kd1 s ILE 46 N -5.24 2.99 0.39 2.57 1.01 -1.10 -4.88 121.20 116.94 2kd1 s ILE 46 Ca -0.07 0.86 -0.25 0.00 0.00 0.00 0.00 60.65 61.19 2kd1 s ILE 46 Cb 0.17 -3.49 -0.09 0.00 0.01 0.00 0.00 42.46 39.06 2kd1 s ILE 46 CO 0.71 0.10 1.09 -0.54 0.00 0.00 0.00 174.94 176.30 2kd1 s LYS 47 N -2.23 4.17 0.23 2.79 -0.14 -1.26 -1.50 119.74 121.80 2kd1 s LYS 47 Ca 0.56 1.64 -0.07 0.00 -1.36 0.00 0.00 55.97 56.74 2kd1 s LYS 47 Cb -0.33 -2.64 0.32 0.00 -1.68 0.00 0.00 37.83 33.50 2kd1 s LYS 47 CO 0.42 -0.17 1.81 1.25 -0.76 0.00 0.00 175.35 177.91 2kd1 h LEU 48 N 2.66 0.63 -1.35 3.17 5.85 -1.45 -0.74 115.31 124.07 2kd1 h LEU 48 Ca -0.48 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 2kd1 h LEU 48 Cb 1.22 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2kd1 h LEU 48 CO 0.63 0.38 -0.08 0.00 -0.34 0.00 0.00 178.44 179.03 2kd1 h ALA 49 N 1.41 1.02 0.00 1.25 0.00 -1.81 -2.76 119.26 118.36 2kd1 h ALA 49 Ca 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2kd1 h ALA 49 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kd1 h ALA 49 CO -0.22 0.10 -0.08 1.63 0.00 0.00 0.00 179.25 180.69 2kd1 n LYS 50 N -3.22 0.19 -1.77 0.00 4.76 -0.30 -4.72 118.16 113.11 2kd1 n LYS 50 Ca 0.00 0.14 -0.23 0.00 -2.87 0.00 0.00 58.31 55.36 2kd1 n LYS 50 Cb 0.35 -1.71 -0.05 0.00 -1.84 0.00 0.00 35.03 31.77 2kd1 n LYS 50 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kd1 s LEU 51 N -4.08 3.07 0.56 -0.35 1.02 -1.04 -4.95 118.68 112.91 2kd1 s LEU 51 Ca 0.11 -0.03 0.03 0.00 0.02 0.00 0.00 54.13 54.26 2kd1 s LEU 51 Cb 0.14 -2.54 0.05 0.00 0.02 0.00 0.00 46.19 43.86 2kd1 s LEU 51 CO 0.60 -3.24 0.78 0.28 0.02 0.00 0.00 176.35 174.78 2kd1 s THR 52 N 12.39 2.59 0.30 5.49 -1.32 -1.26 -4.79 115.64 129.03 2kd1 s THR 52 Ca 0.83 -0.75 0.30 0.00 -1.21 0.00 0.00 61.69 60.87 2kd1 s THR 52 Cb -0.11 -2.84 0.32 0.00 -1.51 0.00 0.00 72.50 68.35 2kd1 s THR 52 CO 0.09 0.00 2.02 -1.28 -2.21 0.00 0.00 174.62 173.23 2kd1 h SER 53 N 0.08 0.00 -0.72 8.08 0.87 -1.92 -1.99 113.55 117.95 2kd1 h SER 53 Ca -0.40 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.12 2kd1 h SER 53 Cb 1.29 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.22 2kd1 h SER 53 CO 0.48 0.11 0.27 0.25 -0.53 0.00 0.00 176.83 177.41 2kd1 h LEU 54 N 0.00 1.02 -1.30 2.23 5.85 -1.95 -2.23 115.31 118.94 2kd1 h LEU 54 Ca -0.00 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 2kd1 h LEU 54 Cb 0.45 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2kd1 h LEU 54 CO 0.01 0.92 -0.08 0.45 -0.34 0.00 0.00 178.44 179.41 2kd1 h HIS 55 N 1.08 0.40 -0.03 1.25 3.86 -1.73 -1.61 115.15 118.36 2kd1 h HIS 55 Ca 0.24 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 2kd1 h HIS 55 Cb 0.24 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 2kd1 h HIS 55 CO 0.02 0.46 -0.05 0.52 0.86 0.00 0.00 177.93 179.74 2kd1 h MET 56 N 0.36 0.09 -0.16 2.45 2.86 -1.49 -1.76 114.93 117.28 2kd1 h MET 56 Ca 0.07 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2kd1 h MET 56 Cb 0.37 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2kd1 h MET 56 CO 0.02 0.59 0.10 0.37 1.06 0.00 0.00 176.91 179.05 2kd1 h GLN 57 N -0.40 0.22 0.00 1.72 5.75 -1.26 -2.22 115.11 118.92 2kd1 h GLN 57 Ca 0.00 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 2kd1 h GLN 57 Cb 0.58 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 2kd1 h GLN 57 CO 0.01 0.19 -0.13 -0.91 -2.65 0.00 0.00 178.83 175.34 2kd1 h ASN 58 N 0.19 0.00 -0.14 -0.69 2.35 -1.37 -1.34 115.58 114.58 2kd1 h ASN 58 Ca 0.06 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 2kd1 h ASN 58 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2kd1 h ASN 58 CO -0.01 0.13 -0.25 0.22 -1.65 0.00 0.00 177.43 175.87 2kd1 h TYR 59 N 0.00 0.52 -0.27 1.19 3.20 -0.95 -1.22 116.97 119.44 2kd1 h TYR 59 Ca -0.00 -0.18 -0.07 0.00 3.14 0.00 0.00 58.73 61.61 2kd1 h TYR 59 Cb 0.57 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2kd1 h TYR 59 CO 0.00 0.87 -0.15 0.28 -1.64 0.00 0.00 178.16 177.52 2kd1 h VAL 60 N 0.01 1.23 -0.61 1.81 2.07 -0.99 -1.26 116.25 118.52 2kd1 h VAL 60 Ca 0.01 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.40 2kd1 h VAL 60 Cb 0.84 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2kd1 h VAL 60 CO 0.06 0.34 0.07 0.78 0.02 0.00 0.00 177.57 178.83 2kd1 h ASN 61 N 0.42 0.98 -0.72 0.57 2.35 -1.27 -2.75 115.58 115.16 2kd1 h ASN 61 Ca 0.08 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.54 2kd1 h ASN 61 Cb 0.52 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.59 2kd1 h ASN 61 CO 0.03 1.00 0.26 -1.28 -1.65 0.00 0.00 177.43 175.80 2kd1 h SER 62 N 0.95 1.01 -0.36 5.81 0.87 -0.50 -2.20 113.55 119.14 2kd1 h SER 62 Ca 0.18 -0.19 -0.07 0.00 -1.23 0.00 0.00 61.79 60.49 2kd1 h SER 62 Cb 0.46 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 2kd1 h SER 62 CO 0.02 0.92 0.00 -0.07 -0.53 0.00 0.00 176.83 177.17 2kd1 h LEU 63 N 1.04 0.69 -0.31 2.23 3.38 -1.02 0.12 115.31 121.45 2kd1 h LEU 63 Ca 0.24 -0.16 -0.20 0.00 0.09 0.00 0.00 57.88 57.85 2kd1 h LEU 63 Cb 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kd1 h LEU 63 CO -0.02 0.76 -0.67 -0.09 0.09 0.00 0.00 178.44 178.52 2kd1 h ARG 64 N 0.68 0.71 0.00 1.13 2.43 -1.43 -1.86 114.38 116.04 2kd1 h ARG 64 Ca 0.14 -0.52 -0.07 0.00 -0.81 0.00 0.00 59.98 58.72 2kd1 h ARG 64 Cb 0.42 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2kd1 h ARG 64 CO 0.02 1.14 -0.33 0.22 -1.51 0.00 0.00 179.97 179.50 2kd1 h ASP 65 N 0.51 0.00 1.52 -3.80 3.58 -0.86 -1.53 116.42 115.85 2kd1 h ASP 65 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2kd1 h ASP 65 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2kd1 h ASP 65 CO 0.13 0.33 0.00 -0.33 -2.88 0.00 0.00 179.24 176.49 2kd1 h GLU 66 N 0.00 0.00 -0.69 0.28 4.39 -0.65 -3.48 114.58 114.43 2kd1 h GLU 66 Ca -0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.57 2kd1 h GLU 66 Cb 0.65 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 2kd1 h GLU 66 CO 0.04 0.00 -0.15 0.41 -1.16 0.00 0.00 179.01 178.15 2kd1 n GLY 67 N 0.89 0.39 3.77 -3.84 0.00 -0.58 -5.01 105.19 100.81 2kd1 n GLY 67 Ca 0.04 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 2kd1 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kd1 s LEU 68 N -1.71 4.23 0.60 0.99 1.43 -0.74 -5.04 118.68 118.43 2kd1 s LEU 68 Ca 0.00 2.50 -0.08 0.00 -1.03 0.00 0.00 54.13 55.51 2kd1 s LEU 68 Cb 0.00 -3.93 -0.01 0.00 0.03 0.00 0.00 46.19 42.28 2kd1 s LEU 68 CO 0.00 -0.72 0.95 -1.59 0.23 0.00 0.00 176.35 175.21 2kd1 s LYS 69 N -2.20 3.23 0.52 1.70 -2.85 -1.26 -4.84 119.74 114.03 2kd1 s LYS 69 Ca 0.56 0.33 0.19 0.00 -1.00 0.00 0.00 55.97 56.04 2kd1 s LYS 69 Cb -0.34 -2.20 1.28 0.00 -2.06 0.00 0.00 37.83 34.51 2kd1 s LYS 69 CO 0.44 -0.62 2.09 0.07 0.10 0.00 0.00 175.35 177.43 2kd1 h ARG 70 N -0.21 0.04 0.25 1.78 0.11 -1.96 -1.03 114.38 113.36 2kd1 h ARG 70 Ca -0.45 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 2kd1 h ARG 70 Cb 1.23 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2kd1 h ARG 70 CO 0.62 0.03 -0.12 0.78 0.10 0.00 0.00 179.97 181.37 2kd1 h GLY 71 N 0.04 -0.36 0.91 0.08 0.00 -1.99 -0.79 103.07 100.97 2kd1 h GLY 71 Ca 0.10 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 2kd1 h GLY 71 CO -0.01 -0.13 0.09 -0.84 0.00 0.00 0.00 176.54 175.66 2kd1 h THR 72 N -0.35 1.14 0.17 4.70 2.02 -1.65 -3.22 112.91 115.73 2kd1 h THR 72 Ca -0.03 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 2kd1 h THR 72 Cb 0.26 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 2kd1 h THR 72 CO 0.06 0.14 -0.08 0.40 0.37 0.00 0.00 175.52 176.40 2kd1 h ILE 73 N 0.19 0.90 -0.62 3.11 2.04 -1.28 -3.15 117.51 118.71 2kd1 h ILE 73 Ca 0.07 -0.36 0.13 0.00 1.00 0.00 0.00 64.86 65.69 2kd1 h ILE 73 Cb 0.14 1.13 -0.11 0.00 -0.74 0.00 0.00 36.82 37.23 2kd1 h ILE 73 CO -0.01 0.08 -0.11 -0.08 0.00 0.00 0.00 178.15 178.03 2kd1 h GLU 74 N -0.41 0.03 -0.33 2.37 4.81 -1.15 -0.69 114.58 119.20 2kd1 h GLU 74 Ca -0.02 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2kd1 h GLU 74 Cb 0.32 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2kd1 h GLU 74 CO 0.04 0.02 0.02 0.87 -0.73 0.00 0.00 179.01 179.23 2kd1 h LYS 75 N 0.03 0.57 0.00 1.92 1.57 -1.60 -1.78 116.57 117.28 2kd1 h LYS 75 Ca 0.31 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2kd1 h LYS 75 Cb 0.48 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2kd1 h LYS 75 CO -0.61 0.68 -0.34 -0.84 -0.57 0.00 0.00 179.45 177.76 2kd1 h ILE 76 N 0.38 0.72 0.09 1.86 3.07 -1.32 -1.70 117.51 120.61 2kd1 h ILE 76 Ca 0.10 -1.55 -0.00 0.00 1.55 0.00 0.00 64.86 64.95 2kd1 h ILE 76 Cb 0.41 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 2kd1 h ILE 76 CO 0.01 0.34 -0.04 0.40 -1.05 0.00 0.00 178.15 177.80 2kd1 h ILE 77 N 0.00 1.12 -0.63 0.16 1.08 -1.00 -2.83 117.51 115.40 2kd1 h ILE 77 Ca -0.00 -0.85 0.05 0.00 -0.39 0.00 0.00 64.86 63.67 2kd1 h ILE 77 Cb 0.98 1.65 -0.04 0.00 -3.07 0.00 0.00 36.82 36.35 2kd1 h ILE 77 CO 0.04 0.20 0.42 0.11 -0.69 0.00 0.00 178.15 178.24 2kd1 h LYS 78 N -0.52 0.67 0.67 2.37 1.79 -1.06 -1.68 116.57 118.81 2kd1 h LYS 78 Ca -0.01 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 2kd1 h LYS 78 Cb 0.43 -0.15 0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2kd1 h LYS 78 CO 0.02 0.44 -0.32 0.28 -1.08 0.00 0.00 179.45 178.79 2kd1 h VAL 79 N 0.69 0.31 -0.68 0.50 2.07 -1.36 -2.39 116.25 115.40 2kd1 h VAL 79 Ca 0.26 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.61 2kd1 h VAL 79 Cb 0.17 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 2kd1 h VAL 79 CO -0.08 0.01 0.13 0.40 0.02 0.00 0.00 177.57 178.06 2kd1 h ILE 80 N -0.97 1.26 -0.37 4.57 2.04 -1.18 -0.01 117.51 122.85 2kd1 h ILE 80 Ca -0.09 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.77 2kd1 h ILE 80 Cb 0.71 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2kd1 h ILE 80 CO 0.15 0.38 0.24 0.03 0.00 0.00 0.00 178.15 178.95 2kd1 h ARG 81 N 1.04 0.47 0.00 2.37 3.08 -1.40 -1.91 114.38 118.01 2kd1 h ARG 81 Ca 0.21 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 2kd1 h ARG 81 Cb 0.41 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2kd1 h ARG 81 CO 0.01 0.31 -0.54 -0.97 -1.07 0.00 0.00 179.97 177.70 2kd1 h ASN 82 N 0.48 0.00 0.07 7.04 -0.00 -0.91 -1.80 115.58 120.46 2kd1 h ASN 82 Ca 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.44 2kd1 h ASN 82 Cb -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.29 2kd1 h ASN 82 CO -0.05 0.54 -0.03 0.28 -0.00 0.00 0.00 177.43 178.17 2kd1 h SER 83 N 0.00 -0.08 0.65 1.15 0.02 -0.76 -2.65 113.55 111.88 2kd1 h SER 83 Ca -0.01 -0.31 -0.11 0.00 -0.84 0.00 0.00 61.79 60.52 2kd1 h SER 83 Cb 1.03 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 2kd1 h SER 83 CO 0.07 0.27 -0.53 -0.07 -1.14 0.00 0.00 176.83 175.43 2kd1 h LEU 84 N -0.45 0.00 -0.75 5.07 3.38 -1.31 -0.88 115.31 120.37 2kd1 h LEU 84 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kd1 h LEU 84 Cb 0.39 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2kd1 h LEU 84 CO 0.02 0.53 0.50 -0.33 0.09 0.00 0.00 178.44 179.25 2kd1 h GLU 85 N 0.00 0.99 0.00 1.13 4.39 -1.37 -2.06 114.58 117.67 2kd1 h GLU 85 Ca -0.01 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2kd1 h GLU 85 Cb 1.00 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 2kd1 h GLU 85 CO 0.07 0.66 -0.22 1.25 -1.16 0.00 0.00 179.01 179.61 2kd1 h HIS 86 N 1.02 0.00 0.00 4.33 2.76 -1.01 -2.48 115.15 119.77 2kd1 h HIS 86 Ca 0.28 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.43 2kd1 h HIS 86 Cb -0.12 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 2kd1 h HIS 86 CO -0.02 0.22 -0.09 0.00 -1.30 0.00 0.00 177.93 176.74 2kd1 h ALA 87 N 1.78 0.95 -0.04 5.26 0.00 -0.86 -1.72 119.26 124.64 2kd1 h ALA 87 Ca -0.00 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 2kd1 h ALA 87 Cb 0.92 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2kd1 h ALA 87 CO 0.03 0.11 -0.95 0.82 0.00 0.00 0.00 179.25 179.26 2kd1 h ILE 88 N 0.00 1.31 -0.63 0.00 2.04 -1.01 0.31 117.51 119.52 2kd1 h ILE 88 Ca -0.00 -2.22 0.03 0.00 1.00 0.00 0.00 64.86 63.67 2kd1 h ILE 88 Cb 1.00 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 39.33 2kd1 h ILE 88 CO 0.01 0.68 0.38 -0.78 0.00 0.00 0.00 178.15 178.45 2kd1 h ASP 89 N 0.39 0.62 0.05 1.72 3.58 -1.35 -1.67 116.42 119.77 2kd1 h ASP 89 Ca -0.10 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.36 2kd1 h ASP 89 Cb 1.59 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.52 2kd1 h ASP 89 CO 0.18 0.43 -0.04 0.18 -2.88 0.00 0.00 179.24 177.11 2kd1 n LEU 90 N -4.73 1.10 -1.68 2.28 4.77 -0.66 -4.94 117.00 113.14 2kd1 n LEU 90 Ca 0.06 -0.34 -0.21 0.00 -0.03 0.00 0.00 56.01 55.49 2kd1 n LEU 90 Cb 0.09 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 2kd1 n LEU 90 CO 0.32 0.19 -0.21 -0.62 -1.33 0.00 0.00 177.39 175.74 2kd1 n GLU 91 N -0.22 -1.48 0.18 3.23 1.02 -0.57 -4.86 120.64 117.93 2kd1 n GLU 91 Ca 0.19 1.21 0.02 0.00 -0.02 0.00 0.00 57.16 58.56 2kd1 n GLU 91 Cb 0.31 -5.63 0.33 0.00 -0.02 0.00 0.00 31.44 26.43 2kd1 n GLU 91 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2kd1 h LEU 92 N 0.00 0.00 -8.52 -4.62 3.38 -0.71 -3.43 115.31 101.41 2kd1 h LEU 92 Ca -0.44 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.20 2kd1 h LEU 92 Cb 1.37 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.94 2kd1 h LEU 92 CO 0.62 0.41 -0.73 0.27 0.09 0.00 0.00 178.44 179.10 2kd1 s ILE 93 N -4.02 1.06 0.06 1.22 -4.36 -0.90 -4.60 121.20 109.66 2kd1 s ILE 93 Ca -0.02 -1.74 0.09 0.00 -0.26 0.00 0.00 60.65 58.72 2kd1 s ILE 93 Cb 0.14 -1.49 -0.19 0.00 1.25 0.00 0.00 42.46 42.17 2kd1 s ILE 93 CO 0.72 -0.57 1.17 0.71 0.24 0.00 0.00 174.94 177.21 2kd1 h THR 94 N 3.40 1.44 -2.58 8.37 1.35 -1.87 -3.35 112.91 119.66 2kd1 h THR 94 Ca -0.38 -3.13 -0.10 0.00 -0.55 0.00 0.00 66.41 62.25 2kd1 h THR 94 Cb 1.19 2.70 -0.25 0.00 -1.73 0.00 0.00 68.15 70.07 2kd1 h THR 94 CO 0.55 0.82 -0.22 -0.75 -0.25 0.00 0.00 175.52 175.67 2kd1 s LYS 95 N -2.72 0.48 -0.58 4.72 2.20 -1.26 -4.97 119.74 117.61 2kd1 s LYS 95 Ca 0.00 0.76 -0.27 0.00 -0.36 0.00 0.00 55.97 56.11 2kd1 s LYS 95 Cb 0.09 0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.51 2kd1 s LYS 95 CO 0.81 -0.12 1.81 1.21 -0.36 0.00 0.00 175.35 178.71 2kd1 s ASN 96 N 0.93 5.42 0.28 1.43 2.47 -1.26 -4.84 114.94 119.37 2kd1 s ASN 96 Ca -0.06 0.43 0.26 0.00 0.42 0.00 0.00 52.86 53.91 2kd1 s ASN 96 Cb -0.06 -2.53 0.92 0.00 -1.45 0.00 0.00 41.25 38.13 2kd1 s ASN 96 CO -0.08 -2.24 1.76 -0.37 -3.72 0.00 0.00 177.10 172.45 2kd1 h VAL 97 N 6.83 0.00 -0.03 -5.21 -1.51 -1.93 -3.12 116.25 111.28 2kd1 h VAL 97 Ca -0.27 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 2kd1 h VAL 97 Cb 1.16 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.59 2kd1 h VAL 97 CO 1.19 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.53 2kd1 n ALA 98 N -1.83 2.60 0.27 5.19 0.00 -1.26 -2.80 120.51 122.67 2kd1 n ALA 98 Ca 0.03 -0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.39 2kd1 n ALA 98 Cb 0.33 -1.27 0.74 0.00 0.00 0.00 0.00 19.45 19.25 2kd1 n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kd1 h ALA 99 N 3.72 1.35 0.00 0.00 0.00 -1.91 -1.98 119.26 120.44 2kd1 h ALA 99 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2kd1 h ALA 99 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kd1 h ALA 99 CO 0.00 0.13 -0.74 0.87 0.00 0.00 0.00 179.25 179.51 2kd1 h LYS 100 N 0.00 0.00 -5.98 0.00 1.79 -1.80 -3.42 116.57 107.16 2kd1 h LYS 100 Ca -0.00 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 58.00 2kd1 h LYS 100 Cb 0.28 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.86 2kd1 h LYS 100 CO 0.01 0.17 1.14 0.99 -1.08 0.00 0.00 179.45 180.69 2kd1 s THR 101 N -3.14 3.64 0.34 -0.16 2.01 -0.74 -4.95 115.64 112.63 2kd1 s THR 101 Ca 0.02 -0.32 0.08 0.00 0.31 0.00 0.00 61.69 61.77 2kd1 s THR 101 Cb 0.08 -4.50 -0.07 0.00 0.01 0.00 0.00 72.50 68.02 2kd1 s THR 101 CO 0.76 -1.42 -0.05 -0.54 -0.69 0.00 0.00 174.62 172.68 2kd1 s LYS 102 N 6.11 1.76 -0.36 4.92 1.02 -1.26 -4.93 119.74 127.00 2kd1 s LYS 102 Ca 0.56 -1.93 -0.29 0.00 0.02 0.00 0.00 55.97 54.33 2kd1 s LYS 102 Cb -0.05 -1.46 0.02 0.00 -0.52 0.00 0.00 37.83 35.82 2kd1 s LYS 102 CO 0.01 0.04 1.11 -1.17 -0.92 0.00 0.00 175.35 174.42 2kd1 s LEU 103 N -3.57 3.85 0.00 3.17 2.96 -1.26 -5.01 118.68 118.82 2kd1 s LEU 103 Ca 0.33 0.92 0.00 0.00 -0.22 0.00 0.00 54.13 55.15 2kd1 s LEU 103 Cb 0.05 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.20 2kd1 s LEU 103 CO 0.15 -0.99 0.82 -2.65 -1.32 0.00 0.00 176.35 172.36 2kd1 n PRO 104 N 7.15 0.00 -3.33 0.98 -0.02 -1.26 -4.73 135.00 133.79 2kd1 n PRO 104 Ca 0.12 0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 61.85 2kd1 n PRO 104 Cb 0.48 -1.32 -0.07 0.00 -0.02 0.00 0.00 33.50 32.57 2kd1 n PRO 104 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2kd1 s LYS 105 N -2.26 0.68 0.00 -0.52 -0.14 -1.26 -4.93 119.74 111.31 2kd1 s LYS 105 Ca 0.00 -0.86 0.00 0.00 -1.36 0.00 0.00 55.97 53.75 2kd1 s LYS 105 Cb 0.00 -0.65 0.00 0.00 -1.68 0.00 0.00 37.83 35.50 2kd1 s LYS 105 CO 0.00 -1.21 0.00 0.00 -0.76 0.00 0.00 175.35 173.38 2kd1 n ALA 106 N 4.16 0.10 -2.41 5.17 0.00 -1.26 -5.16 120.51 121.11 2kd1 n ALA 106 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 2kd1 n ALA 106 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 2kd1 n ALA 106 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2kd1 s ASP 107 N -1.08 0.25 0.15 0.00 2.15 -1.26 -5.05 116.67 111.83 2kd1 s ASP 107 Ca 0.00 -1.34 -0.17 0.00 0.43 0.00 0.00 52.55 51.47 2kd1 s ASP 107 Cb 0.00 0.44 -0.07 0.00 -0.30 0.00 0.00 42.92 42.99 2kd1 s ASP 107 CO 0.00 -0.93 0.61 -1.59 -0.17 0.00 0.00 175.17 173.09 2kd1 s LYS 108 N -4.04 4.12 -0.37 4.34 0.00 -1.26 -5.04 119.74 117.49 2kd1 s LYS 108 Ca 0.36 0.67 -0.26 0.00 0.00 0.00 0.00 55.97 56.74 2kd1 s LYS 108 Cb 0.05 -2.99 0.01 0.00 0.00 0.00 0.00 37.83 34.90 2kd1 s LYS 108 CO 0.13 0.49 0.91 -1.21 0.00 0.00 0.00 175.35 175.67 2kd1 s GLU 109 N -1.76 3.82 0.43 1.78 2.02 -1.26 -4.96 118.70 118.77 2kd1 s GLU 109 Ca 0.37 0.54 0.21 0.00 0.02 0.00 0.00 54.97 56.11 2kd1 s GLU 109 Cb -0.17 -3.81 1.18 0.00 0.10 0.00 0.00 34.13 31.44 2kd1 s GLU 109 CO 0.20 -0.95 1.81 1.05 0.02 0.00 0.00 175.26 177.39 2kd1 h GLU 110 N 8.50 0.31 -0.08 1.61 9.09 -1.97 0.25 114.58 132.29 2kd1 h GLU 110 Ca -0.23 -0.02 -0.01 0.00 0.05 0.00 0.00 59.36 59.15 2kd1 h GLU 110 Cb 1.08 -0.07 -0.00 0.00 -1.65 0.00 0.00 28.75 28.11 2kd1 h GLU 110 CO 0.98 0.20 -0.00 -0.07 0.05 0.00 0.00 179.01 180.17 2kd1 h LEU 111 N 0.32 0.14 -0.19 3.06 3.38 -1.93 -3.05 115.31 117.03 2kd1 h LEU 111 Ca 0.54 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2kd1 h LEU 111 Cb 1.50 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2kd1 h LEU 111 CO -0.20 0.42 -0.04 -0.62 0.09 0.00 0.00 178.44 178.10 2kd1 n GLU 112 N -4.84 0.87 -2.73 1.13 1.02 -0.61 -4.76 120.64 110.72 2kd1 n GLU 112 Ca -0.07 -0.19 -0.42 0.00 -0.02 0.00 0.00 57.16 56.46 2kd1 n GLU 112 Cb 0.20 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 2kd1 n GLU 112 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kd1 s HIS 113 N -2.26 3.43 0.56 -0.32 2.46 0.77 -4.95 115.29 114.98 2kd1 s HIS 113 Ca 0.37 1.47 0.42 0.00 0.47 0.00 0.00 55.06 57.79 2kd1 s HIS 113 Cb 0.21 -3.17 2.21 0.00 -0.13 0.00 0.00 32.58 31.70 2kd1 s HIS 113 CO 0.42 -0.31 2.30 1.25 -2.47 0.00 0.00 174.74 175.92 2kd1 h HIS 114 N 7.27 0.00 -1.05 3.88 2.76 -1.85 -3.30 115.15 122.86 2kd1 h HIS 114 Ca -0.27 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.34 2kd1 h HIS 114 Cb 1.11 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 29.98 2kd1 h HIS 114 CO 0.73 0.00 1.44 -1.01 -1.30 0.00 0.00 177.93 177.79 2kd1 s HIS 115 N -4.07 2.45 0.41 5.26 3.76 -1.26 -5.01 115.29 116.84 2kd1 s HIS 115 Ca -0.04 -0.70 -0.24 0.00 -0.15 0.00 0.00 55.06 53.94 2kd1 s HIS 115 Cb 0.12 -4.62 -0.09 0.00 1.11 0.00 0.00 32.58 29.11 2kd1 s HIS 115 CO 0.44 -1.91 1.08 -1.01 -0.85 0.00 0.00 174.74 172.50 2kd1 s HIS 116 N 5.58 3.16 -1.80 1.40 0.09 -1.24 -4.96 115.29 117.52 2kd1 s HIS 116 Ca 0.49 1.61 0.21 0.00 -0.00 0.00 0.00 55.06 57.37 2kd1 s HIS 116 Cb -0.01 -3.20 -0.03 0.00 -0.00 0.00 0.00 32.58 29.34 2kd1 s HIS 116 CO -0.08 -0.87 1.01 0.72 -0.00 0.00 0.00 174.74 175.52 2kd1 n HIS 117 N -0.17 0.00 -0.01 1.40 8.25 -1.26 -5.18 115.22 118.25 2kd1 n HIS 117 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2kd1 n HIS 117 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 2kd1 n HIS 117 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70