#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd1 n GLU 2 N 0.00 -3.39 -1.38 0.03 -0.58 -1.26 -4.64 120.64 109.42 2kd1 n GLU 2 Ca 0.00 2.54 -0.35 0.00 -0.42 0.00 0.00 57.16 58.93 2kd1 n GLU 2 Cb 0.00 -2.88 0.10 0.00 -0.57 0.00 0.00 31.44 28.09 2kd1 n GLU 2 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2kd1 s PRO 3 N -4.40 2.02 -0.00 3.49 0.04 -1.26 -4.71 135.00 130.17 2kd1 s PRO 3 Ca 0.00 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.91 2kd1 s PRO 3 Cb 0.00 -1.81 0.02 0.00 0.04 0.00 0.00 34.50 32.75 2kd1 s PRO 3 CO 0.00 -1.95 0.58 -1.13 0.04 0.00 0.00 177.00 174.53 2kd1 n SER 4 N -2.74 1.00 0.00 6.66 3.41 -1.26 -3.77 113.62 116.91 2kd1 n SER 4 Ca 0.14 -2.02 0.15 0.00 -0.26 0.00 0.00 58.87 56.89 2kd1 n SER 4 Cb 0.50 -0.45 0.82 0.00 -0.26 0.00 0.00 64.21 64.81 2kd1 n SER 4 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2kd1 n LYS 5 N -0.03 0.63 -2.26 4.33 4.76 -1.26 -3.40 118.16 120.93 2kd1 n LYS 5 Ca 0.01 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.03 2kd1 n LYS 5 Cb 0.24 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.91 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 -2.36 4.34 0.47 -0.35 2.96 -1.25 -4.89 118.68 117.60 2kd1 s LEU 6 Ca 0.35 2.13 -0.22 0.00 -0.22 0.00 0.00 54.13 56.17 2kd1 s LEU 6 Cb 0.21 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.25 2kd1 s LEU 6 CO 0.42 -0.65 1.13 -0.94 -1.32 0.00 0.00 176.35 175.00 2kd1 s SER 7 N 1.50 6.14 0.40 3.68 1.04 -1.26 -1.65 113.70 123.54 2kd1 s SER 7 Ca 0.63 2.22 0.07 0.00 0.48 0.00 0.00 55.95 59.35 2kd1 s SER 7 Cb -0.32 -2.59 0.81 0.00 0.10 0.00 0.00 66.02 64.02 2kd1 s SER 7 CO 0.28 -0.93 2.00 0.22 0.98 0.00 0.00 173.24 175.79 2kd1 h TYR 8 N 1.86 0.46 -0.32 5.02 3.20 -1.35 -1.58 116.97 124.26 2kd1 h TYR 8 Ca -0.49 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.34 2kd1 h TYR 8 Cb 1.25 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 2kd1 h TYR 8 CO 0.54 0.36 0.09 0.78 -1.64 0.00 0.00 178.16 178.29 2kd1 h GLY 9 N 0.61 0.54 2.00 1.82 0.00 -1.47 -0.33 103.07 106.24 2kd1 h GLY 9 Ca 0.12 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 2kd1 h GLY 9 CO -0.01 0.31 -0.48 0.83 0.00 0.00 0.00 176.54 177.18 2kd1 h GLU 10 N 0.36 0.00 -0.41 4.80 4.39 -1.70 -2.72 114.58 119.31 2kd1 h GLU 10 Ca 0.10 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 2kd1 h GLU 10 Cb 0.26 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2kd1 h GLU 10 CO -0.00 0.48 0.05 -0.92 -1.16 0.00 0.00 179.01 177.46 2kd1 h TYR 11 N 0.00 0.74 0.00 4.33 3.20 -1.02 -3.17 116.97 121.06 2kd1 h TYR 11 Ca -0.00 -0.11 -0.03 0.00 3.14 0.00 0.00 58.73 61.72 2kd1 h TYR 11 Cb 0.87 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 2kd1 h TYR 11 CO 0.00 0.73 -0.15 -0.07 -1.64 0.00 0.00 178.16 177.03 2kd1 h LEU 12 N 0.54 0.00 0.22 2.82 3.38 -0.76 -0.04 115.31 121.47 2kd1 h LEU 12 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2kd1 h LEU 12 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2kd1 h LEU 12 CO 0.01 0.15 -0.11 -0.33 0.09 0.00 0.00 178.44 178.26 2kd1 h GLU 13 N 0.00 -0.28 -0.21 1.13 4.39 -1.48 -1.36 114.58 116.76 2kd1 h GLU 13 Ca -0.00 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 2kd1 h GLU 13 Cb 0.32 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2kd1 h GLU 13 CO 0.02 -0.01 0.04 1.03 -1.16 0.00 0.00 179.01 178.93 2kd1 h SER 14 N -0.54 0.33 -0.49 1.42 0.87 -1.47 -2.89 113.55 110.78 2kd1 h SER 14 Ca -0.03 -0.25 0.04 0.00 -1.23 0.00 0.00 61.79 60.33 2kd1 h SER 14 Cb 0.40 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 2kd1 h SER 14 CO 0.05 0.49 0.24 -0.25 -0.53 0.00 0.00 176.83 176.83 2kd1 h TRP 15 N 0.15 0.45 -0.19 2.24 7.01 -1.09 -2.72 115.95 121.80 2kd1 h TRP 15 Ca 0.06 0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.14 2kd1 h TRP 15 Cb 0.30 -0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 27.17 2kd1 h TRP 15 CO 0.02 0.22 -0.17 0.35 -2.79 0.00 0.00 178.44 176.06 2kd1 h PHE 16 N 0.48 -0.44 -0.33 2.65 3.57 -1.17 -0.96 116.94 120.74 2kd1 h PHE 16 Ca 0.21 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.79 2kd1 h PHE 16 Cb 0.12 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 2kd1 h PHE 16 CO -0.10 -0.25 0.06 -0.91 -2.23 0.00 0.00 178.31 174.88 2kd1 h ASN 17 N -0.19 -0.00 1.70 0.41 2.35 -1.27 -1.19 115.58 117.38 2kd1 h ASN 17 Ca 0.12 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2kd1 h ASN 17 Cb 0.36 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.81 2kd1 h ASN 17 CO -0.30 0.04 0.00 0.00 -1.65 0.00 0.00 177.43 175.52 2kd1 h THR 18 N 0.17 0.00 0.00 2.81 1.03 -1.45 -3.23 112.91 112.23 2kd1 h THR 18 Ca 0.15 -0.79 -0.22 0.00 -0.01 0.00 0.00 66.41 65.54 2kd1 h THR 18 Cb 0.17 1.78 -0.03 0.00 -1.07 0.00 0.00 68.15 69.00 2kd1 h THR 18 CO -0.21 0.00 -1.09 0.50 -0.01 0.00 0.00 175.52 174.71 2kd1 h LYS 19 N 0.00 0.00 -0.96 0.00 1.63 -0.28 -3.30 116.57 113.66 2kd1 h LYS 19 Ca 0.00 0.00 0.22 0.00 -0.85 0.00 0.00 60.65 60.02 2kd1 h LYS 19 Cb 0.85 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.40 2kd1 h LYS 19 CO 0.00 0.88 0.63 0.00 -3.45 0.00 0.00 179.45 177.51 2kd1 h ARG 20 N 0.00 0.42 0.00 1.90 3.08 -1.27 -0.78 114.38 117.73 2kd1 h ARG 20 Ca -0.06 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2kd1 h ARG 20 Cb 1.78 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.74 2kd1 h ARG 20 CO 0.12 0.28 -0.10 0.45 -1.07 0.00 0.00 179.97 179.64 2kd1 h HIS 21 N 0.43 0.00 0.00 3.04 3.86 -1.75 -1.12 115.15 119.61 2kd1 h HIS 21 Ca 0.52 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 59.38 2kd1 h HIS 21 Cb 1.27 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.69 2kd1 h HIS 21 CO -0.00 0.10 -1.96 0.45 0.86 0.00 0.00 177.93 177.37 2kd1 n SER 22 N -4.23 1.92 0.07 2.45 2.88 -0.38 -4.63 113.62 111.71 2kd1 n SER 22 Ca -0.03 0.38 -0.08 0.00 -1.33 0.00 0.00 58.87 57.81 2kd1 n SER 22 Cb 0.18 -0.87 -0.09 0.00 -0.75 0.00 0.00 64.21 62.69 2kd1 n SER 22 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2kd1 h VAL 23 N -1.00 1.65 0.00 2.46 -1.51 -1.41 -3.50 116.25 112.94 2kd1 h VAL 23 Ca -0.52 -3.20 0.00 0.00 -1.23 0.00 0.00 66.70 61.75 2kd1 h VAL 23 Cb 1.44 2.77 0.00 0.00 -2.13 0.00 0.00 31.29 33.37 2kd1 h VAL 23 CO -0.32 0.92 0.00 0.61 -1.23 0.00 0.00 177.57 177.55 2kd1 n GLY 24 N 1.23 2.65 0.12 5.19 0.00 -0.42 -4.64 105.19 109.32 2kd1 n GLY 24 Ca -0.01 -1.78 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 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 1.14 -0.30 -0.61 1.08 -1.97 -0.60 117.51 116.25 2kd1 h ILE 25 Ca 0.00 -0.40 -0.11 0.00 -0.39 0.00 0.00 64.86 63.96 2kd1 h ILE 25 Cb 0.00 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 2kd1 h ILE 25 CO 0.00 0.14 -0.23 0.06 -0.69 0.00 0.00 178.15 177.43 2kd1 h GLN 26 N 0.20 0.68 -0.77 2.37 3.07 -1.95 -2.17 115.11 116.55 2kd1 h GLN 26 Ca 0.07 -0.33 0.03 0.00 0.09 0.00 0.00 58.65 58.51 2kd1 h GLN 26 Cb 0.13 -0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.64 2kd1 h GLN 26 CO -0.01 0.94 0.49 1.15 0.09 0.00 0.00 178.83 181.49 2kd1 h THR 27 N 0.43 1.11 -0.48 1.86 2.02 -1.81 -2.88 112.91 113.17 2kd1 h THR 27 Ca 0.06 -0.33 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 2kd1 h THR 27 Cb 0.78 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2kd1 h THR 27 CO 0.06 0.17 0.04 0.00 0.37 0.00 0.00 175.52 176.16 2kd1 h ALA 28 N 1.33 0.64 -0.97 6.16 0.00 -1.00 -1.96 119.26 123.46 2kd1 h ALA 28 Ca 0.31 -0.26 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2kd1 h ALA 28 Cb 0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.55 2kd1 h ALA 28 CO -0.11 0.41 0.61 -0.22 0.00 0.00 0.00 179.25 179.94 2kd1 h LYS 29 N 0.69 0.86 -0.16 0.00 3.11 -1.18 -0.71 116.57 119.19 2kd1 h LYS 29 Ca 0.14 -0.05 -0.15 0.00 -2.81 0.00 0.00 60.65 57.78 2kd1 h LYS 29 Cb 0.45 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 2kd1 h LYS 29 CO 0.02 0.57 -0.47 0.28 -2.81 0.00 0.00 179.45 177.04 2kd1 h VAL 30 N 0.89 1.34 -0.59 2.00 2.07 -1.33 -1.41 116.25 119.21 2kd1 h VAL 30 Ca 0.49 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 2kd1 h VAL 30 Cb 0.59 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 32.34 2kd1 h VAL 30 CO -0.26 0.53 0.35 -0.07 0.02 0.00 0.00 177.57 178.14 2kd1 h LEU 31 N 0.25 0.71 -0.22 2.57 3.38 -0.54 -2.13 115.31 119.33 2kd1 h LEU 31 Ca -0.01 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 2kd1 h LEU 31 Cb 1.09 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2kd1 h LEU 31 CO 0.10 0.57 -0.80 0.50 0.09 0.00 0.00 178.44 178.90 2kd1 h LYS 32 N 0.79 0.00 -0.51 1.13 3.64 -1.24 -2.24 116.57 118.14 2kd1 h LYS 32 Ca 0.21 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.71 2kd1 h LYS 32 Cb -0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2kd1 h LYS 32 CO -0.04 0.80 0.36 0.78 -2.27 0.00 0.00 179.45 179.08 2kd1 h GLY 33 N 2.77 0.23 1.36 5.01 0.00 -0.76 -0.19 103.07 111.50 2kd1 h GLY 33 Ca -0.01 -0.07 -0.30 0.00 0.00 0.00 0.00 47.33 46.96 2kd1 h GLY 33 CO 0.10 0.03 -1.30 -0.97 0.00 0.00 0.00 176.54 174.41 2kd1 h TYR 34 N 0.16 0.86 0.61 5.60 0.05 -1.16 -3.28 116.97 119.81 2kd1 h TYR 34 Ca 0.24 -0.58 -0.03 0.00 0.05 0.00 0.00 58.73 58.41 2kd1 h TYR 34 Cb 0.75 -0.05 0.01 0.00 1.01 0.00 0.00 36.73 38.44 2kd1 h TYR 34 CO -0.00 1.44 -0.29 -0.07 -1.05 0.00 0.00 178.16 178.18 2kd1 h LEU 35 N 0.19 -0.70 -2.04 3.88 3.38 -0.49 -0.77 115.31 118.76 2kd1 h LEU 35 Ca -0.19 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2kd1 h LEU 35 Cb 1.98 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.91 2kd1 h LEU 35 CO 0.24 -0.46 -0.03 -0.55 0.09 0.00 0.00 178.44 177.73 2kd1 h ASN 36 N -0.89 0.00 0.00 -0.43 7.08 -1.37 0.34 115.58 120.31 2kd1 h ASN 36 Ca -0.08 0.00 -0.01 0.00 -3.08 0.00 0.00 56.30 53.13 2kd1 h ASN 36 Cb 0.63 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.87 2kd1 h ASN 36 CO 0.14 0.03 -0.07 -1.28 -2.08 0.00 0.00 177.43 174.17 2kd1 h SER 37 N 0.00 0.00 0.00 6.14 0.87 -1.61 -3.41 113.55 115.54 2kd1 h SER 37 Ca -0.00 -0.61 -0.07 0.00 -1.23 0.00 0.00 61.79 59.88 2kd1 h SER 37 Cb 0.32 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2kd1 h SER 37 CO 0.00 0.84 -1.18 0.54 -0.53 0.00 0.00 176.83 176.50 2kd1 n ARG 38 N -4.66 0.53 -0.02 2.24 5.12 -0.30 -4.60 116.66 114.97 2kd1 n ARG 38 Ca -0.07 0.26 -0.16 0.00 -1.93 0.00 0.00 57.85 55.95 2kd1 n ARG 38 Cb 0.32 -1.47 -0.11 0.00 -1.16 0.00 0.00 32.46 30.03 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 1.53 -0.35 0.55 5.03 -1.06 -3.18 117.51 119.02 2kd1 h ILE 39 Ca -0.11 -2.01 0.05 0.00 -0.12 0.00 0.00 64.86 62.66 2kd1 h ILE 39 Cb 1.05 2.77 -0.04 0.00 -3.03 0.00 0.00 36.82 37.56 2kd1 h ILE 39 CO -0.07 0.56 0.10 0.40 -0.68 0.00 0.00 178.15 178.46 2kd1 h ILE 40 N -0.42 0.86 0.00 -0.67 5.03 -1.44 0.41 117.51 121.28 2kd1 h ILE 40 Ca -0.04 -0.08 0.00 0.00 -0.12 0.00 0.00 64.86 64.62 2kd1 h ILE 40 Cb 1.10 0.61 0.00 0.00 -3.03 0.00 0.00 36.82 35.50 2kd1 h ILE 40 CO 0.07 0.04 0.00 -0.65 -0.68 0.00 0.00 178.15 176.93 2kd1 h PRO 41 N 0.23 0.00 0.00 2.37 0.11 -1.79 -2.83 132.00 130.09 2kd1 h PRO 41 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2kd1 h PRO 41 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 2kd1 h PRO 41 CO -0.19 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.03 2kd1 n SER 42 N -3.08 0.00 0.04 -2.05 7.64 -0.54 -4.83 113.62 110.80 2kd1 n SER 42 Ca -0.02 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.97 2kd1 n SER 42 Cb 0.13 -0.31 0.07 0.00 -1.01 0.00 0.00 64.21 63.10 2kd1 n SER 42 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kd1 n LEU 43 N -2.36 0.64 -0.11 -3.43 4.77 0.13 -4.51 117.00 112.13 2kd1 n LEU 43 Ca 0.00 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 2kd1 n LEU 43 Cb 0.00 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 2kd1 n LEU 43 CO 0.00 -0.00 0.83 1.23 -1.33 0.00 0.00 177.39 178.11 2kd1 h GLY 44 N 4.50 0.59 0.70 -0.72 0.00 -0.86 -2.58 103.07 104.69 2kd1 h GLY 44 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2kd1 h GLY 44 CO 0.00 0.36 0.00 0.70 0.00 0.00 0.00 176.54 177.60 2kd1 n ASN 45 N -4.61 0.20 -4.89 0.19 3.02 -1.21 -1.50 115.26 106.45 2kd1 n ASN 45 Ca -0.02 -1.17 -0.33 0.00 -0.03 0.00 0.00 54.58 53.04 2kd1 n ASN 45 Cb 0.21 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.33 2kd1 n ASN 45 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kd1 s ILE 46 N -1.99 5.21 0.38 2.41 1.01 -0.97 -4.98 121.20 122.26 2kd1 s ILE 46 Ca 0.42 0.10 -0.28 0.00 0.00 0.00 0.00 60.65 60.89 2kd1 s ILE 46 Cb 0.20 -3.61 -0.10 0.00 0.01 0.00 0.00 42.46 38.95 2kd1 s ILE 46 CO 0.33 0.17 1.43 -0.54 0.00 0.00 0.00 174.94 176.33 2kd1 s LYS 47 N -2.30 4.08 0.42 2.79 -0.14 -1.26 -1.66 119.74 121.67 2kd1 s LYS 47 Ca 0.36 2.46 0.09 0.00 -1.36 0.00 0.00 55.97 57.52 2kd1 s LYS 47 Cb -0.13 -2.93 0.92 0.00 -1.68 0.00 0.00 37.83 34.01 2kd1 s LYS 47 CO 0.22 -0.51 2.06 1.25 -0.76 0.00 0.00 175.35 177.61 2kd1 h LEU 48 N 2.95 0.38 -1.13 3.17 5.85 -1.44 -1.55 115.31 123.54 2kd1 h LEU 48 Ca -0.50 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.23 2kd1 h LEU 48 Cb 1.24 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 2kd1 h LEU 48 CO 0.64 0.29 0.59 0.00 -0.34 0.00 0.00 178.44 179.62 2kd1 h ALA 49 N 1.77 1.42 -0.00 1.25 0.00 -1.73 -3.03 119.26 118.94 2kd1 h ALA 49 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2kd1 h ALA 49 Cb -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2kd1 h ALA 49 CO -0.02 0.49 -0.10 1.63 0.00 0.00 0.00 179.25 181.25 2kd1 n LYS 50 N -4.44 0.39 -1.79 0.00 4.76 -0.59 -4.69 118.16 111.80 2kd1 n LYS 50 Ca 0.12 -0.10 -0.33 0.00 -2.87 0.00 0.00 58.31 55.13 2kd1 n LYS 50 Cb 0.09 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.75 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 -2.68 3.27 0.54 -0.35 1.02 -1.15 -4.92 118.68 114.41 2kd1 s LEU 51 Ca 0.23 0.50 0.05 0.00 0.02 0.00 0.00 54.13 54.93 2kd1 s LEU 51 Cb 0.20 -2.52 0.03 0.00 0.02 0.00 0.00 46.19 43.91 2kd1 s LEU 51 CO 0.51 -2.81 0.34 0.28 0.02 0.00 0.00 176.35 174.69 2kd1 s THR 52 N 11.17 1.58 0.36 5.49 -1.32 -1.26 -4.79 115.64 126.86 2kd1 s THR 52 Ca 0.83 -1.57 0.23 0.00 -1.21 0.00 0.00 61.69 59.97 2kd1 s THR 52 Cb -0.14 -2.15 0.24 0.00 -1.51 0.00 0.00 72.50 68.94 2kd1 s THR 52 CO 0.19 0.00 1.98 -1.28 -2.21 0.00 0.00 174.62 173.30 2kd1 h SER 53 N 0.84 0.00 -0.46 8.08 0.87 -1.92 -2.13 113.55 118.84 2kd1 h SER 53 Ca -0.38 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.07 2kd1 h SER 53 Cb 1.30 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.25 2kd1 h SER 53 CO 0.60 0.19 -0.11 0.25 -0.53 0.00 0.00 176.83 177.22 2kd1 h LEU 54 N 0.00 0.93 -0.83 2.23 5.85 -1.96 -1.19 115.31 120.33 2kd1 h LEU 54 Ca -0.00 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.34 2kd1 h LEU 54 Cb 0.46 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2kd1 h LEU 54 CO 0.02 1.05 0.04 0.45 -0.34 0.00 0.00 178.44 179.67 2kd1 h HIS 55 N 0.83 0.97 -0.14 1.25 3.86 -1.75 -1.87 115.15 118.31 2kd1 h HIS 55 Ca 0.13 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 2kd1 h HIS 55 Cb 0.65 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 2kd1 h HIS 55 CO 0.04 0.86 -0.06 0.52 0.86 0.00 0.00 177.93 180.15 2kd1 h MET 56 N 0.85 0.28 0.28 2.45 2.86 -1.32 -1.40 114.93 118.94 2kd1 h MET 56 Ca 0.17 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2kd1 h MET 56 Cb 0.45 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2kd1 h MET 56 CO 0.02 0.60 -0.14 0.37 1.06 0.00 0.00 176.91 178.82 2kd1 h GLN 57 N -0.06 -0.36 0.00 1.72 5.75 -1.16 -2.27 115.11 118.73 2kd1 h GLN 57 Ca 0.03 0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.51 2kd1 h GLN 57 Cb 0.51 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.14 2kd1 h GLN 57 CO 0.02 -0.24 -0.24 -0.91 -2.65 0.00 0.00 178.83 174.81 2kd1 h ASN 58 N -0.39 0.00 -0.15 -0.69 2.35 -1.42 -2.35 115.58 112.94 2kd1 h ASN 58 Ca -0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 2kd1 h ASN 58 Cb 0.30 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 2kd1 h ASN 58 CO 0.06 0.24 -0.03 0.22 -1.65 0.00 0.00 177.43 176.28 2kd1 h TYR 59 N 0.00 0.31 -0.22 1.19 3.20 -1.02 -1.81 116.97 118.63 2kd1 h TYR 59 Ca -0.00 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.73 2kd1 h TYR 59 Cb 0.63 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 2kd1 h TYR 59 CO 0.00 0.55 -0.16 0.28 -1.64 0.00 0.00 178.16 177.18 2kd1 h VAL 60 N -0.01 1.22 -0.61 1.81 2.07 -1.09 -1.42 116.25 118.21 2kd1 h VAL 60 Ca 0.04 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 2kd1 h VAL 60 Cb 0.44 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2kd1 h VAL 60 CO 0.01 0.32 0.14 0.78 0.02 0.00 0.00 177.57 178.84 2kd1 h ASN 61 N 0.35 0.91 -0.67 0.57 2.35 -1.38 -2.25 115.58 115.46 2kd1 h ASN 61 Ca 0.06 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 2kd1 h ASN 61 Cb 0.50 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 2kd1 h ASN 61 CO 0.03 0.89 0.15 -1.28 -1.65 0.00 0.00 177.43 175.57 2kd1 h SER 62 N 0.92 1.02 -0.64 5.81 0.87 -0.49 -2.24 113.55 118.80 2kd1 h SER 62 Ca 0.19 -0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 2kd1 h SER 62 Cb 0.35 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 2kd1 h SER 62 CO 0.00 0.99 0.16 -0.07 -0.53 0.00 0.00 176.83 177.39 2kd1 h LEU 63 N 1.00 0.98 -0.80 2.23 3.38 -0.95 0.12 115.31 121.27 2kd1 h LEU 63 Ca 0.21 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2kd1 h LEU 63 Cb 0.38 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2kd1 h LEU 63 CO 0.00 0.95 -0.31 -0.09 0.09 0.00 0.00 178.44 179.08 2kd1 h ARG 64 N 0.99 0.54 0.00 1.13 2.43 -1.38 -2.48 114.38 115.61 2kd1 h ARG 64 Ca 0.21 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 2kd1 h ARG 64 Cb 0.35 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2kd1 h ARG 64 CO 0.00 0.79 -0.34 0.22 -1.51 0.00 0.00 179.97 179.14 2kd1 h ASP 65 N 0.46 0.00 1.05 -3.80 3.58 -0.76 -2.53 116.42 114.42 2kd1 h ASP 65 Ca 0.06 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 2kd1 h ASP 65 Cb 0.77 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2kd1 h ASP 65 CO 0.06 0.34 -0.22 -0.33 -2.88 0.00 0.00 179.24 176.21 2kd1 h GLU 66 N 0.00 0.00 -0.35 0.28 4.39 -0.55 -3.47 114.58 114.88 2kd1 h GLU 66 Ca -0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 2kd1 h GLU 66 Cb 1.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.68 2kd1 h GLU 66 CO 0.04 0.22 -0.07 0.41 -1.16 0.00 0.00 179.01 178.45 2kd1 n GLY 67 N 0.29 0.38 3.76 -3.84 0.00 -0.95 -5.03 105.19 99.80 2kd1 n GLY 67 Ca 0.01 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.85 4.06 0.45 0.99 1.43 -0.97 -5.02 118.68 118.77 2kd1 s LEU 68 Ca 0.00 2.55 -0.22 0.00 -1.03 0.00 0.00 54.13 55.43 2kd1 s LEU 68 Cb 0.00 -4.10 -0.09 0.00 0.03 0.00 0.00 46.19 42.03 2kd1 s LEU 68 CO 0.00 -1.03 1.05 -1.59 0.23 0.00 0.00 176.35 175.01 2kd1 s LYS 69 N -2.54 3.96 0.50 1.70 -2.85 -1.26 -4.85 119.74 114.40 2kd1 s LYS 69 Ca 0.62 1.45 0.24 0.00 -1.00 0.00 0.00 55.97 57.28 2kd1 s LYS 69 Cb -0.35 -2.31 1.32 0.00 -2.06 0.00 0.00 37.83 34.42 2kd1 s LYS 69 CO 0.43 -0.31 1.96 0.07 0.10 0.00 0.00 175.35 177.61 2kd1 h ARG 70 N 2.01 0.11 -0.04 1.78 0.11 -1.95 -1.20 114.38 115.19 2kd1 h ARG 70 Ca -0.49 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.58 2kd1 h ARG 70 Cb 1.22 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 32.27 2kd1 h ARG 70 CO 0.61 0.07 0.01 0.78 0.10 0.00 0.00 179.97 181.54 2kd1 h GLY 71 N 0.11 0.07 0.81 0.08 0.00 -1.94 0.12 103.07 102.32 2kd1 h GLY 71 Ca 0.31 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.63 2kd1 h GLY 71 CO -0.04 0.04 0.21 -0.84 0.00 0.00 0.00 176.54 175.92 2kd1 h THR 72 N -0.12 0.98 -0.66 4.70 2.02 -1.64 -1.64 112.91 116.55 2kd1 h THR 72 Ca 0.01 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 2kd1 h THR 72 Cb 0.20 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 2kd1 h THR 72 CO -0.00 0.08 0.23 0.40 0.37 0.00 0.00 175.52 176.60 2kd1 h ILE 73 N 0.43 1.24 -0.43 3.11 2.04 -1.32 -2.39 117.51 120.18 2kd1 h ILE 73 Ca 0.18 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 2kd1 h ILE 73 Cb 0.07 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2kd1 h ILE 73 CO -0.12 0.31 0.07 -0.08 0.00 0.00 0.00 178.15 178.33 2kd1 h GLU 74 N 0.96 0.72 -0.57 2.37 4.81 -0.59 -2.02 114.58 120.26 2kd1 h GLU 74 Ca 0.22 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2kd1 h GLU 74 Cb 0.23 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2kd1 h GLU 74 CO -0.01 0.75 0.07 0.87 -0.73 0.00 0.00 179.01 179.96 2kd1 h LYS 75 N 0.57 0.95 -0.07 1.92 1.57 -1.09 -2.34 116.57 118.09 2kd1 h LYS 75 Ca 0.13 -0.27 -0.16 0.00 -1.87 0.00 0.00 60.65 58.48 2kd1 h LYS 75 Cb 0.38 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2kd1 h LYS 75 CO 0.01 0.92 -0.66 -0.84 -0.57 0.00 0.00 179.45 178.31 2kd1 h ILE 76 N 0.84 1.39 -0.80 1.86 3.07 -1.37 -2.42 117.51 120.09 2kd1 h ILE 76 Ca 0.17 -2.08 0.01 0.00 1.55 0.00 0.00 64.86 64.51 2kd1 h ILE 76 Cb 0.44 2.07 -0.04 0.00 -0.27 0.00 0.00 36.82 39.02 2kd1 h ILE 76 CO 0.01 0.62 0.53 0.40 -1.05 0.00 0.00 178.15 178.66 2kd1 h ILE 77 N 0.21 1.20 -0.14 0.16 1.08 -1.26 -1.66 117.51 117.10 2kd1 h ILE 77 Ca -0.01 -0.37 0.03 0.00 -0.39 0.00 0.00 64.86 64.11 2kd1 h ILE 77 Cb 1.20 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 2kd1 h ILE 77 CO 0.11 0.20 -0.03 0.11 -0.69 0.00 0.00 178.15 177.85 2kd1 h LYS 78 N 1.08 0.01 -0.55 2.37 1.79 -1.02 -1.46 116.57 118.79 2kd1 h LYS 78 Ca 0.30 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.74 2kd1 h LYS 78 Cb -0.12 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 2kd1 h LYS 78 CO -0.07 0.01 0.25 0.28 -1.08 0.00 0.00 179.45 178.85 2kd1 h VAL 79 N 0.01 1.21 0.06 0.50 2.07 -1.16 -1.55 116.25 117.39 2kd1 h VAL 79 Ca 0.07 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2kd1 h VAL 79 Cb 0.10 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2kd1 h VAL 79 CO -0.14 0.24 -0.03 0.40 0.02 0.00 0.00 177.57 178.06 2kd1 h ILE 80 N 0.74 1.08 -0.44 4.57 2.04 -1.17 -1.70 117.51 122.63 2kd1 h ILE 80 Ca 0.19 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.62 2kd1 h ILE 80 Cb 0.14 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 2kd1 h ILE 80 CO -0.02 0.13 0.07 0.03 0.00 0.00 0.00 178.15 178.35 2kd1 h ARG 81 N -0.31 0.19 -0.52 2.37 3.08 -1.14 -0.97 114.38 117.07 2kd1 h ARG 81 Ca -0.01 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 2kd1 h ARG 81 Cb 0.27 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2kd1 h ARG 81 CO 0.01 0.12 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.11 2kd1 h ASN 82 N 0.19 0.87 -0.59 7.04 4.21 -1.23 0.17 115.58 126.24 2kd1 h ASN 82 Ca 0.22 -0.23 -0.03 0.00 1.21 0.00 0.00 56.30 57.47 2kd1 h ASN 82 Cb 0.29 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.23 2kd1 h ASN 82 CO -0.31 0.94 0.25 0.28 -1.29 0.00 0.00 177.43 177.31 2kd1 h SER 83 N 0.83 0.79 0.98 5.81 0.02 -0.95 -2.37 113.55 118.66 2kd1 h SER 83 Ca 0.15 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 2kd1 h SER 83 Cb 0.52 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 2kd1 h SER 83 CO 0.03 0.73 -0.34 -0.07 -1.14 0.00 0.00 176.83 176.04 2kd1 h LEU 84 N 0.80 0.00 -0.52 5.07 3.38 -0.55 0.69 115.31 124.19 2kd1 h LEU 84 Ca 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 2kd1 h LEU 84 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2kd1 h LEU 84 CO -0.02 0.34 0.05 -0.33 0.09 0.00 0.00 178.44 178.57 2kd1 h GLU 85 N 0.00 0.88 0.00 1.13 4.39 -0.47 -1.68 114.58 118.82 2kd1 h GLU 85 Ca -0.00 -0.25 -0.10 0.00 0.34 0.00 0.00 59.36 59.34 2kd1 h GLU 85 Cb 0.92 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 2kd1 h GLU 85 CO 0.04 0.88 -0.47 1.25 -1.16 0.00 0.00 179.01 179.55 2kd1 h HIS 86 N 0.75 0.00 -0.10 4.33 2.76 -1.08 -2.43 115.15 119.39 2kd1 h HIS 86 Ca 0.15 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.16 2kd1 h HIS 86 Cb 0.45 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 2kd1 h HIS 86 CO 0.03 0.47 -0.66 0.00 -1.30 0.00 0.00 177.93 176.48 2kd1 h ALA 87 N 1.53 0.69 -0.63 5.26 0.00 -0.77 -0.75 119.26 124.59 2kd1 h ALA 87 Ca -0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 54.91 54.28 2kd1 h ALA 87 Cb 1.31 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2kd1 h ALA 87 CO 0.06 0.74 0.18 0.82 0.00 0.00 0.00 179.25 181.05 2kd1 h ILE 88 N 0.27 1.25 -0.47 0.00 2.04 -1.26 0.36 117.51 119.69 2kd1 h ILE 88 Ca -0.02 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 64.96 2kd1 h ILE 88 Cb 1.20 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 2kd1 h ILE 88 CO 0.11 0.33 0.22 -0.78 0.00 0.00 0.00 178.15 178.03 2kd1 h ASP 89 N 0.91 0.60 -0.10 1.72 3.58 -1.19 -1.36 116.42 120.57 2kd1 h ASP 89 Ca 0.20 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2kd1 h ASP 89 Cb 0.31 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2kd1 h ASP 89 CO -0.00 0.52 0.00 0.18 -2.88 0.00 0.00 179.24 177.06 2kd1 n LEU 90 N -4.38 2.03 -0.55 2.28 4.77 -0.31 -4.93 117.00 115.91 2kd1 n LEU 90 Ca 0.04 -0.75 -0.07 0.00 -0.03 0.00 0.00 56.01 55.19 2kd1 n LEU 90 Cb 0.13 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2kd1 n LEU 90 CO 0.37 0.38 -0.07 -0.62 -1.33 0.00 0.00 177.39 176.12 2kd1 n GLU 91 N 0.57 -1.45 0.26 3.23 1.02 -0.40 -1.58 120.64 122.30 2kd1 n GLU 91 Ca 0.17 0.70 0.15 0.00 -0.02 0.00 0.00 57.16 58.16 2kd1 n GLU 91 Cb 0.42 -4.92 0.67 0.00 -0.02 0.00 0.00 31.44 27.59 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 -8.19 -4.62 3.38 -0.61 -3.42 115.31 101.85 2kd1 h LEU 92 Ca -0.15 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 2kd1 h LEU 92 Cb 0.94 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.53 2kd1 h LEU 92 CO 0.21 0.09 -0.69 0.27 0.09 0.00 0.00 178.44 178.42 2kd1 s ILE 93 N -3.80 0.25 -1.40 1.22 -4.36 -1.07 -4.26 121.20 107.78 2kd1 s ILE 93 Ca -0.00 -1.56 0.16 0.00 -0.26 0.00 0.00 60.65 58.99 2kd1 s ILE 93 Cb 0.10 -1.18 0.47 0.00 1.25 0.00 0.00 42.46 43.11 2kd1 s ILE 93 CO 0.57 -0.84 1.40 0.35 0.24 0.00 0.00 174.94 176.66 2kd1 n THR 94 N 0.53 1.03 -3.50 8.37 -2.24 -1.26 -3.97 114.28 113.24 2kd1 n THR 94 Ca -0.17 -1.01 -0.00 0.00 -2.27 0.00 0.00 64.05 60.60 2kd1 n THR 94 Cb 0.59 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 69.26 2kd1 n THR 94 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kd1 s LYS 95 N -1.04 0.38 -0.75 -0.78 2.20 -1.26 -5.09 119.74 113.39 2kd1 s LYS 95 Ca 0.36 0.87 -0.27 0.00 -0.36 0.00 0.00 55.97 56.57 2kd1 s LYS 95 Cb 0.19 0.43 0.03 0.00 -1.51 0.00 0.00 37.83 36.97 2kd1 s LYS 95 CO 0.24 -0.12 1.29 1.21 -0.36 0.00 0.00 175.35 177.61 2kd1 s ASN 96 N 2.27 6.17 0.41 1.43 3.84 -1.26 -4.88 114.94 122.92 2kd1 s ASN 96 Ca -0.05 -0.49 0.28 0.00 0.21 0.00 0.00 52.86 52.81 2kd1 s ASN 96 Cb -0.07 -2.56 0.96 0.00 -0.55 0.00 0.00 41.25 39.03 2kd1 s ASN 96 CO -0.17 -1.83 1.80 -0.37 -2.79 0.00 0.00 177.10 173.74 2kd1 h VAL 97 N 6.06 0.00 0.00 -5.21 -1.51 -1.94 -2.93 116.25 110.72 2kd1 h VAL 97 Ca -0.26 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.65 2kd1 h VAL 97 Cb 1.05 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 2kd1 h VAL 97 CO 1.29 0.00 -0.57 0.00 -1.23 0.00 0.00 177.57 177.06 2kd1 h ALA 98 N 2.14 0.66 -0.07 5.19 0.00 -1.91 -3.27 119.26 122.00 2kd1 h ALA 98 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2kd1 h ALA 98 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kd1 h ALA 98 CO 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 179.25 178.99 2kd1 h ALA 99 N 2.34 1.44 0.00 0.00 0.00 -1.87 -2.14 119.26 119.02 2kd1 h ALA 99 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2kd1 h ALA 99 Cb 0.83 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2kd1 h ALA 99 CO 0.00 0.40 -0.21 1.63 0.00 0.00 0.00 179.25 181.08 2kd1 n LYS 100 N -4.19 0.03 -3.51 0.00 4.76 -1.23 -4.73 118.16 109.28 2kd1 n LYS 100 Ca -0.02 0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 2kd1 n LYS 100 Cb 0.34 -1.52 -0.08 0.00 -1.84 0.00 0.00 35.03 31.93 2kd1 n LYS 100 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2kd1 s THR 101 N -3.01 4.41 0.56 -0.18 2.01 -0.81 -5.07 115.64 113.55 2kd1 s THR 101 Ca 0.12 -1.86 -0.02 0.00 0.31 0.00 0.00 61.69 60.25 2kd1 s THR 101 Cb 0.18 -3.88 0.03 0.00 0.01 0.00 0.00 72.50 68.84 2kd1 s THR 101 CO 0.60 -0.81 0.82 -0.54 -0.69 0.00 0.00 174.62 174.00 2kd1 s LYS 102 N 1.24 2.66 0.16 4.92 3.01 -1.26 -4.91 119.74 125.56 2kd1 s LYS 102 Ca 0.07 -0.47 -0.31 0.00 -1.01 0.00 0.00 55.97 54.24 2kd1 s LYS 102 Cb -0.25 -2.40 -0.10 0.00 -1.01 0.00 0.00 37.83 34.06 2kd1 s LYS 102 CO -0.01 -0.71 1.54 -1.17 0.51 0.00 0.00 175.35 175.50 2kd1 s LEU 103 N -4.85 4.37 0.00 3.17 2.96 -1.26 -4.99 118.68 118.08 2kd1 s LEU 103 Ca 0.55 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 57.04 2kd1 s LEU 103 Cb -0.10 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.99 2kd1 s LEU 103 CO 0.41 -0.79 0.90 -0.81 -1.32 0.00 0.00 176.35 174.73 2kd1 n PRO 104 N 3.84 0.00 -3.82 0.98 -0.04 -1.26 -4.72 135.00 129.98 2kd1 n PRO 104 Ca 0.13 0.72 -0.19 0.00 -0.04 0.00 0.00 63.50 64.12 2kd1 n PRO 104 Cb 0.39 -1.40 -0.17 0.00 -0.04 0.00 0.00 33.50 32.29 2kd1 n PRO 104 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kd1 s LYS 105 N -2.58 0.27 -0.00 0.54 1.02 -1.26 -5.16 119.74 112.57 2kd1 s LYS 105 Ca 0.00 0.16 0.03 0.00 0.02 0.00 0.00 55.97 56.18 2kd1 s LYS 105 Cb 0.00 -0.59 -0.03 0.00 -0.52 0.00 0.00 37.83 36.68 2kd1 s LYS 105 CO 0.00 -0.22 -0.05 0.00 -0.92 0.00 0.00 175.35 174.16 2kd1 s ALA 106 N 1.52 3.09 -0.50 5.17 0.00 -1.26 -4.85 121.76 124.92 2kd1 s ALA 106 Ca -0.03 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.00 2kd1 s ALA 106 Cb -0.13 -1.19 0.21 0.00 0.00 0.00 0.00 23.12 22.00 2kd1 s ALA 106 CO -0.03 0.62 0.75 -3.47 0.00 0.00 0.00 175.76 173.63 2kd1 n ASP 107 N 1.55 -3.03 -0.97 0.00 2.03 -1.26 -5.14 116.55 109.73 2kd1 n ASP 107 Ca -0.15 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.16 2kd1 n ASP 107 Cb 0.53 1.58 0.00 0.00 -0.72 0.00 0.00 41.12 42.51 2kd1 n ASP 107 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2kd1 n LYS 108 N 2.51 0.00 -3.84 -0.67 2.85 -1.26 -5.10 118.16 112.65 2kd1 n LYS 108 Ca 0.16 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.06 2kd1 n LYS 108 Cb 0.58 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.82 2kd1 n LYS 108 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2kd1 s GLU 109 N -1.90 3.20 0.00 -1.58 2.02 -1.26 -4.95 118.70 114.24 2kd1 s GLU 109 Ca 0.00 -0.76 0.25 0.00 0.02 0.00 0.00 54.97 54.48 2kd1 s GLU 109 Cb 0.00 -3.19 1.18 0.00 0.10 0.00 0.00 34.13 32.22 2kd1 s GLU 109 CO 0.00 -0.33 1.81 0.39 0.02 0.00 0.00 175.26 177.15 2kd1 n GLU 110 N 4.82 0.24 0.00 1.61 4.71 -1.26 -2.91 120.64 127.85 2kd1 n GLU 110 Ca -0.16 0.06 0.14 0.00 -0.01 0.00 0.00 57.16 57.19 2kd1 n GLU 110 Cb 0.49 -1.50 0.75 0.00 -1.01 0.00 0.00 31.44 30.17 2kd1 n GLU 110 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 2kd1 n LEU 111 N -1.36 0.00 -4.57 -4.62 4.77 -1.26 -4.69 117.00 105.28 2kd1 n LEU 111 Ca 0.10 0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 56.10 2kd1 n LEU 111 Cb 0.22 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 2kd1 n LEU 111 CO 0.20 -0.02 1.27 -1.61 -1.33 0.00 0.00 177.39 175.90 2kd1 s GLU 112 N -2.44 1.91 -0.00 3.23 2.02 -1.15 -4.91 118.70 117.36 2kd1 s GLU 112 Ca 0.31 -0.16 -0.30 0.00 0.02 0.00 0.00 54.97 54.84 2kd1 s GLU 112 Cb 0.19 -4.97 -0.07 0.00 0.10 0.00 0.00 34.13 29.38 2kd1 s GLU 112 CO 0.41 -4.30 1.68 -1.01 0.02 0.00 0.00 175.26 172.06 2kd1 s HIS 113 N 13.40 2.07 -0.23 1.61 3.76 -1.26 -4.95 115.29 129.69 2kd1 s HIS 113 Ca 0.80 0.18 -0.29 0.00 -0.15 0.00 0.00 55.06 55.60 2kd1 s HIS 113 Cb -0.08 -3.96 -0.02 0.00 1.11 0.00 0.00 32.58 29.63 2kd1 s HIS 113 CO 0.08 -4.00 1.50 -1.01 -0.85 0.00 0.00 174.74 170.46 2kd1 s HIS 114 N 3.58 2.33 -0.31 1.40 3.76 -1.26 -4.94 115.29 119.84 2kd1 s HIS 114 Ca 0.75 0.65 -0.27 0.00 -0.15 0.00 0.00 55.06 56.04 2kd1 s HIS 114 Cb -0.36 -3.92 -0.06 0.00 1.11 0.00 0.00 32.58 29.36 2kd1 s HIS 114 CO 0.32 -2.54 2.27 -1.58 -0.85 0.00 0.00 174.74 172.36 2kd1 s HIS 115 N 4.74 1.15 -0.64 1.40 2.46 -1.26 -4.87 115.29 118.26 2kd1 s HIS 115 Ca 0.66 0.89 -0.26 0.00 0.47 0.00 0.00 55.06 56.81 2kd1 s HIS 115 Cb -0.23 -3.82 -0.06 0.00 -0.13 0.00 0.00 32.58 28.35 2kd1 s HIS 115 CO 0.26 -3.54 2.12 -1.01 -2.47 0.00 0.00 174.74 170.10 2kd1 s HIS 116 N 9.60 1.43 0.23 3.88 3.76 -1.26 -4.81 115.29 128.13 2kd1 s HIS 116 Ca 0.99 1.17 -0.02 0.00 -0.15 0.00 0.00 55.06 57.04 2kd1 s HIS 116 Cb -0.27 -3.84 0.24 0.00 1.11 0.00 0.00 32.58 29.82 2kd1 s HIS 116 CO 0.32 -2.19 1.65 0.45 -0.85 0.00 0.00 174.74 174.11 2kd1 h HIS 117 N 15.56 0.77 -0.02 1.40 3.86 -2.04 -3.57 115.15 131.10 2kd1 h HIS 117 Ca -0.16 -0.18 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 2kd1 h HIS 117 Cb 1.15 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.44 2kd1 h HIS 117 CO 1.06 0.86 0.00 1.58 0.86 0.00 0.00 177.93 182.29