#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 0.58 0.95 0.03 2.12 -1.12 -5.06 118.70 116.19 2kd1 s GLU 2 Ca 0.00 0.26 -0.10 0.00 0.36 0.00 0.00 54.97 55.49 2kd1 s GLU 2 Cb 0.00 0.27 0.16 0.00 0.26 0.00 0.00 34.13 34.82 2kd1 s GLU 2 CO 0.00 -0.12 1.14 -1.25 -0.54 0.00 0.00 175.26 174.49 2kd1 s PRO 3 N -0.44 0.76 -1.36 4.30 0.04 -1.26 -3.23 135.00 133.81 2kd1 s PRO 3 Ca -0.06 1.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.33 2kd1 s PRO 3 Cb -0.03 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.79 2kd1 s PRO 3 CO 0.02 -2.79 2.28 -1.13 0.04 0.00 0.00 177.00 175.43 2kd1 n SER 4 N -4.34 4.40 0.15 6.66 3.41 -1.16 -4.51 113.62 118.23 2kd1 n SER 4 Ca 0.11 -2.76 0.01 0.00 -0.26 0.00 0.00 58.87 55.97 2kd1 n SER 4 Cb 0.52 -1.54 0.19 0.00 -0.26 0.00 0.00 64.21 63.12 2kd1 n SER 4 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2kd1 h LYS 5 N 6.16 0.00 -6.45 4.33 1.79 -1.92 -3.39 116.57 117.10 2kd1 h LYS 5 Ca 0.59 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 58.52 2kd1 h LYS 5 Cb 0.58 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2kd1 h LYS 5 CO 1.87 0.56 0.67 -1.17 -1.08 0.00 0.00 179.45 180.30 2kd1 s LEU 6 N -7.30 4.34 0.49 2.94 2.96 -1.26 -4.97 118.68 115.89 2kd1 s LEU 6 Ca -0.00 2.06 -0.21 0.00 -0.22 0.00 0.00 54.13 55.76 2kd1 s LEU 6 Cb 0.12 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 43.16 2kd1 s LEU 6 CO 0.74 -0.57 1.11 -0.94 -1.32 0.00 0.00 176.35 175.37 2kd1 s SER 7 N 1.31 6.11 0.40 3.68 1.04 -1.26 -3.51 113.70 121.47 2kd1 s SER 7 Ca 0.60 2.14 0.10 0.00 0.48 0.00 0.00 55.95 59.27 2kd1 s SER 7 Cb -0.30 -2.58 0.83 0.00 0.10 0.00 0.00 66.02 64.07 2kd1 s SER 7 CO 0.28 -0.95 1.95 0.22 0.98 0.00 0.00 173.24 175.72 2kd1 h TYR 8 N 1.67 0.25 -0.36 5.02 3.20 -1.54 -0.87 116.97 124.34 2kd1 h TYR 8 Ca -0.50 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.28 2kd1 h TYR 8 Cb 1.24 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 2kd1 h TYR 8 CO 0.54 0.33 -0.06 0.78 -1.64 0.00 0.00 178.16 178.11 2kd1 h GLY 9 N 0.65 0.73 2.00 1.82 0.00 -1.35 -1.20 103.07 105.72 2kd1 h GLY 9 Ca 0.05 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.70 2kd1 h GLY 9 CO 0.01 0.54 -0.47 0.83 0.00 0.00 0.00 176.54 177.45 2kd1 h GLU 10 N 0.48 0.00 -0.52 4.80 4.39 -1.71 -2.91 114.58 119.10 2kd1 h GLU 10 Ca 0.09 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 2kd1 h GLU 10 Cb 0.55 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 2kd1 h GLU 10 CO 0.03 0.47 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.41 2kd1 h TYR 11 N 0.00 1.02 0.00 4.33 3.20 -0.96 -2.97 116.97 121.59 2kd1 h TYR 11 Ca -0.00 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.63 2kd1 h TYR 11 Cb 1.02 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 2kd1 h TYR 11 CO 0.00 0.95 -0.23 -0.07 -1.64 0.00 0.00 178.16 177.17 2kd1 h LEU 12 N 0.80 0.00 -0.41 2.82 3.38 -1.03 0.45 115.31 121.31 2kd1 h LEU 12 Ca 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2kd1 h LEU 12 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2kd1 h LEU 12 CO 0.03 0.23 -0.10 -0.33 0.09 0.00 0.00 178.44 178.37 2kd1 h GLU 13 N 0.00 0.79 -0.02 1.13 4.39 -1.40 -1.05 114.58 118.42 2kd1 h GLU 13 Ca -0.00 -0.30 -0.15 0.00 0.34 0.00 0.00 59.36 59.24 2kd1 h GLU 13 Cb 0.43 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2kd1 h GLU 13 CO 0.03 0.92 -0.57 0.77 -1.16 0.00 0.00 179.01 178.99 2kd1 h SER 14 N 0.61 0.54 -0.59 1.42 0.02 -1.32 -3.22 113.55 111.02 2kd1 h SER 14 Ca 0.10 -0.73 -0.07 0.00 -0.84 0.00 0.00 61.79 60.25 2kd1 h SER 14 Cb 0.62 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2kd1 h SER 14 CO 0.04 1.20 0.10 -0.25 -1.14 0.00 0.00 176.83 176.79 2kd1 h TRP 15 N -0.06 1.03 -0.52 3.45 7.01 -0.98 -3.03 115.95 122.83 2kd1 h TRP 15 Ca -0.07 -0.14 0.01 0.00 2.11 0.00 0.00 58.89 60.80 2kd1 h TRP 15 Cb 1.27 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 28.02 2kd1 h TRP 15 CO 0.14 0.89 0.35 0.35 -2.79 0.00 0.00 178.44 177.37 2kd1 h PHE 16 N 0.87 0.65 -0.86 2.65 3.57 -1.27 0.24 116.94 122.79 2kd1 h PHE 16 Ca 0.18 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2kd1 h PHE 16 Cb 0.41 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 2kd1 h PHE 16 CO 0.03 0.41 0.55 -0.91 -2.23 0.00 0.00 178.31 176.16 2kd1 h ASN 17 N 0.70 0.92 0.54 0.41 2.35 -1.54 -1.06 115.58 117.90 2kd1 h ASN 17 Ca 0.19 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.80 2kd1 h ASN 17 Cb -0.08 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 2kd1 h ASN 17 CO -0.05 0.63 -0.63 0.74 -1.65 0.00 0.00 177.43 176.47 2kd1 h THR 18 N 1.07 1.43 0.00 2.81 2.02 -1.36 -3.28 112.91 115.61 2kd1 h THR 18 Ca 0.34 -2.13 -0.08 0.00 0.77 0.00 0.00 66.41 65.32 2kd1 h THR 18 Cb 0.02 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 2kd1 h THR 18 CO -0.12 0.61 -0.37 0.50 0.37 0.00 0.00 175.52 176.52 2kd1 h LYS 19 N 0.06 0.00 0.00 6.66 1.63 0.73 -2.64 116.57 123.01 2kd1 h LYS 19 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2kd1 h LYS 19 Cb 1.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 2kd1 h LYS 19 CO 0.09 0.37 0.00 0.54 -3.45 0.00 0.00 179.45 177.00 2kd1 n ARG 20 N -3.52 0.16 0.16 1.90 1.74 -0.78 -0.90 116.66 115.41 2kd1 n ARG 20 Ca -0.00 0.55 0.01 0.00 -0.77 0.00 0.00 57.85 57.64 2kd1 n ARG 20 Cb 0.51 -1.92 0.23 0.00 -1.02 0.00 0.00 32.46 30.26 2kd1 n ARG 20 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kd1 h HIS 21 N 0.00 0.00 0.03 -1.55 3.86 -1.68 -3.36 115.15 112.45 2kd1 h HIS 21 Ca 0.00 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.91 2kd1 h HIS 21 Cb 0.14 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 2kd1 h HIS 21 CO 0.00 0.52 -1.65 0.45 0.86 0.00 0.00 177.93 178.11 2kd1 n SER 22 N -3.70 1.94 -4.67 2.45 2.88 -0.08 -4.96 113.62 107.49 2kd1 n SER 22 Ca -0.01 0.34 -0.33 0.00 -1.33 0.00 0.00 58.87 57.54 2kd1 n SER 22 Cb 0.57 -0.90 -0.09 0.00 -0.75 0.00 0.00 64.21 63.04 2kd1 n SER 22 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2kd1 s VAL 23 N -2.43 4.15 0.83 2.46 -7.23 -0.41 -5.12 120.40 112.65 2kd1 s VAL 23 Ca -0.29 -0.50 -0.11 0.00 -1.81 0.00 0.00 61.98 59.28 2kd1 s VAL 23 Cb 0.07 -2.81 0.09 0.00 0.56 0.00 0.00 36.38 34.29 2kd1 s VAL 23 CO 0.62 0.46 1.10 -0.83 -0.31 0.00 0.00 175.10 176.14 2kd1 s GLY 24 N -1.31 1.66 0.33 2.32 0.00 -1.26 -4.33 107.32 104.74 2kd1 s GLY 24 Ca 0.17 0.25 0.01 0.00 0.00 0.00 0.00 44.72 45.16 2kd1 s GLY 24 CO 0.07 0.65 1.99 -2.22 0.00 0.00 0.00 173.10 173.59 2kd1 h ILE 25 N -1.38 1.16 0.00 0.90 1.08 -1.98 0.17 117.51 117.46 2kd1 h ILE 25 Ca -0.45 -0.32 -0.05 0.00 -0.39 0.00 0.00 64.86 63.65 2kd1 h ILE 25 Cb 1.25 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 2kd1 h ILE 25 CO 0.50 0.17 -0.22 0.06 -0.69 0.00 0.00 178.15 177.97 2kd1 h GLN 26 N 0.93 0.00 0.08 2.37 3.07 -2.01 -1.16 115.11 118.40 2kd1 h GLN 26 Ca 0.27 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.69 2kd1 h GLN 26 Cb -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.49 2kd1 h GLN 26 CO -0.07 0.22 -1.76 1.15 0.09 0.00 0.00 178.83 178.46 2kd1 h THR 27 N 0.00 0.85 -0.34 1.86 2.02 -1.64 -3.38 112.91 112.28 2kd1 h THR 27 Ca -0.00 -2.59 -0.08 0.00 0.77 0.00 0.00 66.41 64.50 2kd1 h THR 27 Cb 0.42 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 2kd1 h THR 27 CO 0.03 0.74 -0.10 0.00 0.37 0.00 0.00 175.52 176.56 2kd1 h ALA 28 N 0.50 0.47 -0.69 6.16 0.00 -0.38 -1.92 119.26 123.40 2kd1 h ALA 28 Ca -0.32 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.36 2kd1 h ALA 28 Cb 2.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.65 2kd1 h ALA 28 CO 0.11 0.33 0.45 -0.22 0.00 0.00 0.00 179.25 179.92 2kd1 h LYS 29 N 0.45 0.61 -0.14 0.00 3.11 -1.43 -0.71 116.57 118.46 2kd1 h LYS 29 Ca 0.08 -0.04 -0.12 0.00 -2.81 0.00 0.00 60.65 57.77 2kd1 h LYS 29 Cb 0.61 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 2kd1 h LYS 29 CO 0.04 0.40 -0.39 0.28 -2.81 0.00 0.00 179.45 176.97 2kd1 h VAL 30 N 0.63 1.36 -0.59 2.00 2.07 -1.62 -1.15 116.25 118.95 2kd1 h VAL 30 Ca 0.31 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 2kd1 h VAL 30 Cb 0.38 2.04 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 2kd1 h VAL 30 CO -0.10 0.50 0.24 -0.07 0.02 0.00 0.00 177.57 178.16 2kd1 h LEU 31 N 0.13 0.81 -0.74 2.57 3.38 -0.64 -1.11 115.31 119.71 2kd1 h LEU 31 Ca -0.01 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 2kd1 h LEU 31 Cb 1.00 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2kd1 h LEU 31 CO 0.08 0.76 -0.56 0.50 0.09 0.00 0.00 178.44 179.32 2kd1 h LYS 32 N 0.81 0.21 0.00 1.13 3.64 -1.21 -0.42 116.57 120.73 2kd1 h LYS 32 Ca 0.20 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 2kd1 h LYS 32 Cb 0.20 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2kd1 h LYS 32 CO -0.02 0.71 -0.24 0.78 -2.27 0.00 0.00 179.45 178.42 2kd1 h GLY 33 N 1.45 0.00 1.39 5.01 0.00 -0.75 -1.56 103.07 108.61 2kd1 h GLY 33 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 2kd1 h GLY 33 CO 0.08 0.00 -1.37 -0.97 0.00 0.00 0.00 176.54 174.28 2kd1 h TYR 34 N 0.00 0.82 0.81 5.60 0.05 -0.83 -3.23 116.97 120.19 2kd1 h TYR 34 Ca -0.00 -0.59 -0.04 0.00 0.05 0.00 0.00 58.73 58.15 2kd1 h TYR 34 Cb 0.45 -0.04 0.01 0.00 1.01 0.00 0.00 36.73 38.16 2kd1 h TYR 34 CO 0.00 1.46 -0.39 -0.07 -1.05 0.00 0.00 178.16 178.11 2kd1 h LEU 35 N 0.14 -0.92 -1.03 3.88 3.38 -0.63 -1.04 115.31 119.08 2kd1 h LEU 35 Ca -0.21 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2kd1 h LEU 35 Cb 2.07 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 43.05 2kd1 h LEU 35 CO 0.25 -0.65 -0.44 0.78 0.09 0.00 0.00 178.44 178.48 2kd1 h ASN 36 N -1.11 0.10 0.01 -0.43 2.35 -1.49 0.80 115.58 115.80 2kd1 h ASN 36 Ca -0.11 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2kd1 h ASN 36 Cb 0.84 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.18 2kd1 h ASN 36 CO 0.18 0.53 -0.00 -1.28 -1.65 0.00 0.00 177.43 175.21 2kd1 h SER 37 N 0.08 -0.01 0.00 5.81 0.87 -1.57 -3.40 113.55 115.33 2kd1 h SER 37 Ca 0.00 -0.82 -0.04 0.00 -1.23 0.00 0.00 61.79 59.70 2kd1 h SER 37 Cb 0.81 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2kd1 h SER 37 CO 0.06 0.84 -1.05 0.54 -0.53 0.00 0.00 176.83 176.69 2kd1 n ARG 38 N -4.68 0.52 -0.04 2.24 5.12 -0.40 -4.63 116.66 114.79 2kd1 n ARG 38 Ca -0.09 0.27 -0.14 0.00 -1.93 0.00 0.00 57.85 55.95 2kd1 n ARG 38 Cb 0.40 -1.48 -0.09 0.00 -1.16 0.00 0.00 32.46 30.14 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 1.40 -0.14 0.55 5.03 -0.98 -3.07 117.51 119.30 2kd1 h ILE 39 Ca -0.06 -1.62 0.03 0.00 -0.12 0.00 0.00 64.86 63.09 2kd1 h ILE 39 Cb 0.98 2.19 -0.03 0.00 -3.03 0.00 0.00 36.82 36.93 2kd1 h ILE 39 CO -0.04 0.47 -0.05 0.40 -0.68 0.00 0.00 178.15 178.25 2kd1 h ILE 40 N -0.09 0.82 0.00 -0.67 5.03 -1.15 0.48 117.51 121.93 2kd1 h ILE 40 Ca -0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.72 2kd1 h ILE 40 Cb 0.90 0.82 -0.00 0.00 -3.03 0.00 0.00 36.82 35.51 2kd1 h ILE 40 CO 0.06 0.00 -0.05 -0.65 -0.68 0.00 0.00 178.15 176.83 2kd1 h PRO 41 N -0.03 0.00 0.00 2.37 0.11 -1.78 -2.17 132.00 130.50 2kd1 h PRO 41 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2kd1 h PRO 41 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 2kd1 h PRO 41 CO -0.16 0.05 0.00 0.43 -0.21 0.00 0.00 178.00 178.11 2kd1 n SER 42 N -4.28 0.00 0.00 -2.05 7.64 -0.70 -4.79 113.62 109.45 2kd1 n SER 42 Ca -0.03 0.09 0.11 0.00 1.01 0.00 0.00 58.87 60.05 2kd1 n SER 42 Cb 0.13 -0.34 -0.11 0.00 -1.01 0.00 0.00 64.21 62.89 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 -2.00 0.45 -0.02 -3.43 4.77 0.15 -4.39 117.00 112.53 2kd1 n LEU 43 Ca 0.00 -0.15 -0.16 0.00 -0.03 0.00 0.00 56.01 55.67 2kd1 n LEU 43 Cb 0.00 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2kd1 n LEU 43 CO 0.00 0.08 0.34 1.23 -1.33 0.00 0.00 177.39 177.71 2kd1 h GLY 44 N 4.41 0.57 2.00 -0.72 0.00 -0.65 -2.83 103.07 105.85 2kd1 h GLY 44 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 47.33 46.46 2kd1 h GLY 44 CO 0.00 0.75 -0.14 -0.57 0.00 0.00 0.00 176.54 176.58 2kd1 h ASN 45 N 0.11 0.00 -3.98 0.19 -0.73 -1.63 -0.78 115.58 108.76 2kd1 h ASN 45 Ca -0.04 0.00 -0.48 0.00 1.87 0.00 0.00 56.30 57.65 2kd1 h ASN 45 Cb 1.19 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.80 2kd1 h ASN 45 CO 0.11 0.14 0.40 -0.63 -0.37 0.00 0.00 177.43 177.08 2kd1 s ILE 46 N -4.30 3.78 0.39 2.57 1.01 -1.07 -4.91 121.20 118.67 2kd1 s ILE 46 Ca -0.03 1.32 -0.25 0.00 0.00 0.00 0.00 60.65 61.68 2kd1 s ILE 46 Cb 0.14 -3.65 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 2kd1 s ILE 46 CO 0.61 -0.04 1.13 -0.54 0.00 0.00 0.00 174.94 176.10 2kd1 s LYS 47 N -2.62 4.14 0.37 2.79 -0.14 -1.26 -2.32 119.74 120.69 2kd1 s LYS 47 Ca 0.59 1.75 0.04 0.00 -1.36 0.00 0.00 55.97 56.98 2kd1 s LYS 47 Cb -0.20 -2.69 0.69 0.00 -1.68 0.00 0.00 37.83 33.95 2kd1 s LYS 47 CO 0.25 -0.22 2.01 1.25 -0.76 0.00 0.00 175.35 177.89 2kd1 h LEU 48 N 2.72 0.64 -1.29 3.17 5.85 -1.82 -1.39 115.31 123.19 2kd1 h LEU 48 Ca -0.48 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 2kd1 h LEU 48 Cb 1.23 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2kd1 h LEU 48 CO 0.63 0.48 0.06 0.00 -0.34 0.00 0.00 178.44 179.27 2kd1 h ALA 49 N 1.63 1.43 0.00 1.25 0.00 -1.85 -3.00 119.26 118.72 2kd1 h ALA 49 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2kd1 h ALA 49 Cb -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2kd1 h ALA 49 CO -0.04 0.41 0.00 1.63 0.00 0.00 0.00 179.25 181.25 2kd1 n LYS 50 N -4.32 0.19 -1.81 0.00 4.76 -0.53 -4.70 118.16 111.75 2kd1 n LYS 50 Ca 0.02 0.21 -0.32 0.00 -2.87 0.00 0.00 58.31 55.35 2kd1 n LYS 50 Cb 0.21 -1.74 -0.04 0.00 -1.84 0.00 0.00 35.03 31.61 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 -4.16 3.25 0.53 -0.35 1.02 -1.14 -4.90 118.68 112.93 2kd1 s LEU 51 Ca 0.10 0.38 0.08 0.00 0.02 0.00 0.00 54.13 54.71 2kd1 s LEU 51 Cb 0.13 -2.53 0.05 0.00 0.02 0.00 0.00 46.19 43.86 2kd1 s LEU 51 CO 0.54 -2.83 0.55 0.28 0.02 0.00 0.00 176.35 174.91 2kd1 s THR 52 N 11.14 2.06 0.43 5.49 -1.32 -1.26 -4.79 115.64 127.39 2kd1 s THR 52 Ca 0.81 -1.26 0.33 0.00 -1.21 0.00 0.00 61.69 60.36 2kd1 s THR 52 Cb -0.13 -2.32 0.35 0.00 -1.51 0.00 0.00 72.50 68.89 2kd1 s THR 52 CO 0.17 0.00 2.14 0.77 -2.21 0.00 0.00 174.62 175.49 2kd1 h SER 53 N 0.57 0.00 0.11 8.08 4.64 -1.93 -1.64 113.55 123.39 2kd1 h SER 53 Ca -0.35 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.80 2kd1 h SER 53 Cb 1.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2kd1 h SER 53 CO 0.50 0.06 -0.62 0.25 -0.87 0.00 0.00 176.83 176.15 2kd1 h LEU 54 N 0.00 0.57 -1.41 5.97 5.85 -1.96 -1.71 115.31 122.62 2kd1 h LEU 54 Ca -0.00 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 2kd1 h LEU 54 Cb 0.26 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2kd1 h LEU 54 CO 0.01 1.05 -0.30 0.45 -0.34 0.00 0.00 178.44 179.31 2kd1 h HIS 55 N 0.37 0.00 -0.17 1.25 3.86 -1.65 -0.96 115.15 117.85 2kd1 h HIS 55 Ca -0.01 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.08 2kd1 h HIS 55 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2kd1 h HIS 55 CO 0.05 0.30 -0.38 0.52 0.86 0.00 0.00 177.93 179.27 2kd1 h MET 56 N 0.00 0.55 -0.02 2.45 2.86 -1.39 -2.66 114.93 116.72 2kd1 h MET 56 Ca -0.00 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2kd1 h MET 56 Cb 0.53 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 2kd1 h MET 56 CO 0.04 0.99 0.01 0.37 1.06 0.00 0.00 176.91 179.37 2kd1 h GLN 57 N 0.20 0.02 -0.55 1.72 5.75 -0.93 -1.45 115.11 119.87 2kd1 h GLN 57 Ca -0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2kd1 h GLN 57 Cb 0.99 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.51 2kd1 h GLN 57 CO 0.08 0.15 0.36 -0.91 -2.65 0.00 0.00 178.83 175.87 2kd1 h ASN 58 N -0.11 0.64 -0.08 -0.69 2.35 -1.29 -1.43 115.58 114.97 2kd1 h ASN 58 Ca 0.01 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2kd1 h ASN 58 Cb 0.14 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 2kd1 h ASN 58 CO -0.00 0.47 0.01 0.22 -1.65 0.00 0.00 177.43 176.47 2kd1 h TYR 59 N 0.75 0.14 -0.51 1.19 3.20 -1.18 -2.40 116.97 118.17 2kd1 h TYR 59 Ca 0.20 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 2kd1 h TYR 59 Cb -0.08 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2kd1 h TYR 59 CO 0.00 0.37 0.05 0.28 -1.64 0.00 0.00 178.16 177.22 2kd1 h VAL 60 N -0.12 1.24 -0.69 1.81 2.07 -0.81 -1.77 116.25 117.97 2kd1 h VAL 60 Ca 0.02 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.55 2kd1 h VAL 60 Cb 0.31 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2kd1 h VAL 60 CO 0.00 0.34 0.25 0.78 0.02 0.00 0.00 177.57 178.96 2kd1 h ASN 61 N 0.77 0.98 0.25 0.57 2.35 -1.27 -2.67 115.58 116.57 2kd1 h ASN 61 Ca 0.16 -0.19 -0.15 0.00 -0.55 0.00 0.00 56.30 55.57 2kd1 h ASN 61 Cb 0.40 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2kd1 h ASN 61 CO 0.01 0.91 -0.58 0.77 -1.65 0.00 0.00 177.43 176.89 2kd1 h SER 62 N 1.00 0.37 -0.90 5.81 4.64 -1.02 -2.79 113.55 120.67 2kd1 h SER 62 Ca 0.23 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2kd1 h SER 62 Cb 0.25 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 2kd1 h SER 62 CO -0.01 0.87 0.49 -0.07 -0.87 0.00 0.00 176.83 177.24 2kd1 h LEU 63 N 0.25 1.13 -0.83 5.97 3.38 -1.09 0.13 115.31 124.26 2kd1 h LEU 63 Ca -0.00 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 2kd1 h LEU 63 Cb 1.09 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2kd1 h LEU 63 CO 0.09 0.91 -0.10 -0.09 0.09 0.00 0.00 178.44 179.34 2kd1 h ARG 64 N 1.27 0.76 0.00 1.13 2.43 -1.43 -2.09 114.38 116.44 2kd1 h ARG 64 Ca 0.32 -0.25 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 2kd1 h ARG 64 Cb 0.03 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2kd1 h ARG 64 CO -0.05 0.84 -0.57 0.22 -1.51 0.00 0.00 179.97 178.89 2kd1 h ASP 65 N 0.69 0.00 1.30 -3.80 3.58 -1.10 -2.90 116.42 114.19 2kd1 h ASP 65 Ca 0.12 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 2kd1 h ASP 65 Cb 0.57 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 2kd1 h ASP 65 CO 0.04 0.57 -0.14 -0.33 -2.88 0.00 0.00 179.24 176.50 2kd1 h GLU 66 N 0.00 0.00 -1.94 0.28 4.39 -0.51 -3.48 114.58 113.32 2kd1 h GLU 66 Ca -0.01 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2kd1 h GLU 66 Cb 1.29 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.96 2kd1 h GLU 66 CO 0.07 0.14 -0.22 0.41 -1.16 0.00 0.00 179.01 178.26 2kd1 n GLY 67 N 0.50 0.24 3.77 -3.84 0.00 -0.81 -5.03 105.19 100.03 2kd1 n GLY 67 Ca 0.01 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.75 4.04 0.64 0.99 1.43 -1.08 -5.04 118.68 116.91 2kd1 s LEU 68 Ca 0.11 2.24 -0.15 0.00 -1.03 0.00 0.00 54.13 55.30 2kd1 s LEU 68 Cb -0.05 -4.23 -0.01 0.00 0.03 0.00 0.00 46.19 41.93 2kd1 s LEU 68 CO 0.14 -0.82 1.08 -1.59 0.23 0.00 0.00 176.35 175.39 2kd1 s LYS 69 N -2.66 3.01 0.40 1.70 -2.85 -1.26 -4.77 119.74 113.31 2kd1 s LYS 69 Ca 0.62 1.24 0.15 0.00 -1.00 0.00 0.00 55.97 56.98 2kd1 s LYS 69 Cb -0.27 -1.99 1.00 0.00 -2.06 0.00 0.00 37.83 34.51 2kd1 s LYS 69 CO 0.33 -1.06 1.87 0.07 0.10 0.00 0.00 175.35 176.66 2kd1 h ARG 70 N 0.06 0.48 0.20 1.78 0.11 -1.96 -0.95 114.38 114.09 2kd1 h ARG 70 Ca -0.46 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 59.58 2kd1 h ARG 70 Cb 1.23 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.20 2kd1 h ARG 70 CO 0.56 0.31 -0.10 0.78 0.10 0.00 0.00 179.97 181.63 2kd1 h GLY 71 N 0.49 -0.28 1.00 0.08 0.00 -1.95 -1.94 103.07 100.47 2kd1 h GLY 71 Ca 0.44 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.88 2kd1 h GLY 71 CO -0.17 -0.10 0.24 -0.84 0.00 0.00 0.00 176.54 175.66 2kd1 h THR 72 N -0.44 1.09 -0.30 4.70 2.02 -1.60 -0.84 112.91 117.54 2kd1 h THR 72 Ca -0.03 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.03 2kd1 h THR 72 Cb 0.33 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 2kd1 h THR 72 CO 0.04 0.09 0.02 0.40 0.37 0.00 0.00 175.52 176.45 2kd1 h ILE 73 N 0.49 0.81 -0.35 3.11 2.04 -1.25 -1.91 117.51 120.45 2kd1 h ILE 73 Ca 0.13 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.91 2kd1 h ILE 73 Cb -0.05 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2kd1 h ILE 73 CO -0.03 0.02 0.05 -0.08 0.00 0.00 0.00 178.15 178.11 2kd1 h GLU 74 N 0.12 0.58 -0.34 2.37 4.81 -1.10 -2.95 114.58 118.06 2kd1 h GLU 74 Ca 0.14 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 2kd1 h GLU 74 Cb 0.17 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2kd1 h GLU 74 CO -0.22 0.66 -0.03 0.87 -0.73 0.00 0.00 179.01 179.57 2kd1 h LYS 75 N 0.41 0.62 -0.10 1.92 1.57 -0.95 -1.42 116.57 118.63 2kd1 h LYS 75 Ca 0.10 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 2kd1 h LYS 75 Cb 0.37 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2kd1 h LYS 75 CO 0.01 0.76 -0.32 -0.84 -0.57 0.00 0.00 179.45 178.49 2kd1 h ILE 76 N 0.42 1.26 -0.39 1.86 3.07 -1.40 -0.97 117.51 121.36 2kd1 h ILE 76 Ca 0.09 -1.25 -0.03 0.00 1.55 0.00 0.00 64.86 65.23 2kd1 h ILE 76 Cb 0.50 1.54 -0.02 0.00 -0.27 0.00 0.00 36.82 38.57 2kd1 h ILE 76 CO 0.02 0.37 0.14 0.40 -1.05 0.00 0.00 178.15 178.03 2kd1 h ILE 77 N 0.17 1.20 -0.68 0.16 1.08 -1.32 -2.70 117.51 115.42 2kd1 h ILE 77 Ca 0.02 -0.65 0.02 0.00 -0.39 0.00 0.00 64.86 63.86 2kd1 h ILE 77 Cb 0.65 0.90 -0.04 0.00 -3.07 0.00 0.00 36.82 35.27 2kd1 h ILE 77 CO 0.05 0.23 0.45 0.11 -0.69 0.00 0.00 178.15 178.30 2kd1 h LYS 78 N 0.48 0.86 -0.47 2.37 1.79 -0.12 -0.08 116.57 121.41 2kd1 h LYS 78 Ca 0.13 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.47 2kd1 h LYS 78 Cb 0.22 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 2kd1 h LYS 78 CO -0.01 0.57 -0.02 0.28 -1.08 0.00 0.00 179.45 179.20 2kd1 h VAL 79 N 0.89 1.26 -0.65 0.50 2.07 -1.15 -1.59 116.25 117.59 2kd1 h VAL 79 Ca 0.26 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.60 2kd1 h VAL 79 Cb -0.05 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2kd1 h VAL 79 CO -0.06 0.38 0.07 0.40 0.02 0.00 0.00 177.57 178.37 2kd1 h ILE 80 N 0.69 1.26 -0.07 4.57 2.04 -1.08 -1.96 117.51 122.96 2kd1 h ILE 80 Ca 0.13 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.91 2kd1 h ILE 80 Cb 0.53 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.30 2kd1 h ILE 80 CO 0.03 0.40 0.05 0.03 0.00 0.00 0.00 178.15 178.66 2kd1 h ARG 81 N 1.02 0.10 -0.09 2.37 3.08 -0.84 -0.63 114.38 119.38 2kd1 h ARG 81 Ca 0.19 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 2kd1 h ARG 81 Cb 0.49 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 2kd1 h ARG 81 CO 0.02 0.09 -0.44 -0.97 -1.07 0.00 0.00 179.97 177.60 2kd1 h ASN 82 N 0.08 0.23 -0.19 7.04 -0.73 -1.25 -0.88 115.58 119.88 2kd1 h ASN 82 Ca 0.03 -0.10 -0.02 0.00 1.87 0.00 0.00 56.30 58.07 2kd1 h ASN 82 Cb 0.02 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 38.54 2kd1 h ASN 82 CO -0.01 0.65 0.02 -1.28 -0.37 0.00 0.00 177.43 176.45 2kd1 h SER 83 N 0.18 0.30 0.58 1.15 0.87 -1.16 -2.65 113.55 112.82 2kd1 h SER 83 Ca 0.01 -0.27 -0.07 0.00 -1.23 0.00 0.00 61.79 60.23 2kd1 h SER 83 Cb 0.86 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2kd1 h SER 83 CO 0.07 0.50 -0.33 -0.07 -0.53 0.00 0.00 176.83 176.47 2kd1 h LEU 84 N 0.10 0.00 -0.37 2.23 3.38 -0.83 -1.79 115.31 118.01 2kd1 h LEU 84 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2kd1 h LEU 84 Cb 0.33 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2kd1 h LEU 84 CO 0.01 0.33 0.17 -0.33 0.09 0.00 0.00 178.44 178.70 2kd1 h GLU 85 N 0.00 0.55 -0.06 1.13 4.39 -1.08 -0.94 114.58 118.57 2kd1 h GLU 85 Ca -0.00 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 2kd1 h GLU 85 Cb 0.71 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 2kd1 h GLU 85 CO 0.04 0.51 -0.35 1.25 -1.16 0.00 0.00 179.01 179.30 2kd1 h HIS 86 N 0.46 0.13 -0.29 4.33 2.76 -1.11 -2.26 115.15 119.18 2kd1 h HIS 86 Ca 0.13 -0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.09 2kd1 h HIS 86 Cb 0.15 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 2kd1 h HIS 86 CO -0.01 0.45 -0.52 0.00 -1.30 0.00 0.00 177.93 176.56 2kd1 h ALA 87 N 1.55 0.53 -0.75 5.26 0.00 -1.07 -1.90 119.26 122.89 2kd1 h ALA 87 Ca 0.01 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 2kd1 h ALA 87 Cb 0.67 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2kd1 h ALA 87 CO 0.05 0.68 0.23 0.82 0.00 0.00 0.00 179.25 181.03 2kd1 h ILE 88 N 0.65 1.26 -0.63 0.00 2.04 -0.95 0.47 117.51 120.34 2kd1 h ILE 88 Ca 0.02 -0.91 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 2kd1 h ILE 88 Cb 1.11 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 2kd1 h ILE 88 CO 0.11 0.36 0.16 -0.78 0.00 0.00 0.00 178.15 178.01 2kd1 h ASP 89 N 1.11 0.92 0.30 1.72 3.58 -1.31 -1.85 116.42 120.90 2kd1 h ASP 89 Ca 0.24 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2kd1 h ASP 89 Cb 0.31 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2kd1 h ASP 89 CO -0.01 0.89 -0.02 0.18 -2.88 0.00 0.00 179.24 177.40 2kd1 n LEU 90 N -4.26 0.14 -1.70 2.28 4.77 -0.73 -4.69 117.00 112.82 2kd1 n LEU 90 Ca 0.05 0.10 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 2kd1 n LEU 90 Cb 0.24 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2kd1 n LEU 90 CO 0.41 0.03 -0.20 -0.62 -1.33 0.00 0.00 177.39 175.68 2kd1 n GLU 91 N -1.06 -1.30 -0.03 3.23 1.02 -0.70 -0.96 120.64 120.83 2kd1 n GLU 91 Ca 0.18 0.95 -0.13 0.00 -0.02 0.00 0.00 57.16 58.14 2kd1 n GLU 91 Cb 0.20 -5.31 -0.08 0.00 -0.02 0.00 0.00 31.44 26.23 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 0.17 -8.95 -4.62 3.38 -0.90 -3.38 115.31 101.01 2kd1 h LEU 92 Ca -0.39 -0.42 -0.46 0.00 0.09 0.00 0.00 57.88 56.70 2kd1 h LEU 92 Cb 1.23 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 2kd1 h LEU 92 CO 0.50 0.56 -0.72 0.27 0.09 0.00 0.00 178.44 179.14 2kd1 s ILE 93 N -4.52 1.69 -0.13 1.22 -4.36 -1.17 -3.01 121.20 110.93 2kd1 s ILE 93 Ca -0.15 -2.19 0.20 0.00 -0.26 0.00 0.00 60.65 58.25 2kd1 s ILE 93 Cb 0.04 -2.15 -0.20 0.00 1.25 0.00 0.00 42.46 41.40 2kd1 s ILE 93 CO 0.71 -0.51 0.62 1.07 0.24 0.00 0.00 174.94 177.06 2kd1 n THR 94 N -0.43 0.77 -3.76 8.37 5.66 -1.26 -4.05 114.28 119.58 2kd1 n THR 94 Ca -0.07 -0.64 -0.13 0.00 -3.05 0.00 0.00 64.05 60.16 2kd1 n THR 94 Cb 0.61 -0.40 -0.13 0.00 -1.55 0.00 0.00 70.33 68.87 2kd1 n THR 94 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2kd1 s LYS 95 N -3.10 0.21 -0.74 1.09 2.20 -1.26 -5.00 119.74 113.14 2kd1 s LYS 95 Ca -0.05 0.42 -0.26 0.00 -0.36 0.00 0.00 55.97 55.71 2kd1 s LYS 95 Cb 0.10 -0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.40 2kd1 s LYS 95 CO 0.84 -0.11 1.48 1.21 -0.36 0.00 0.00 175.35 178.41 2kd1 s ASN 96 N 0.79 5.92 0.43 1.43 3.84 -1.26 -4.86 114.94 121.22 2kd1 s ASN 96 Ca -0.06 -0.36 0.29 0.00 0.21 0.00 0.00 52.86 52.95 2kd1 s ASN 96 Cb -0.07 -2.55 1.19 0.00 -0.55 0.00 0.00 41.25 39.26 2kd1 s ASN 96 CO -0.05 -1.99 1.87 -0.37 -2.79 0.00 0.00 177.10 173.77 2kd1 h VAL 97 N 6.39 0.00 0.00 -5.21 -1.51 -1.93 -2.76 116.25 111.22 2kd1 h VAL 97 Ca -0.21 -0.41 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2kd1 h VAL 97 Cb 1.07 1.30 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 2kd1 h VAL 97 CO 1.28 0.00 -0.43 0.00 -1.23 0.00 0.00 177.57 177.19 2kd1 n ALA 98 N -1.96 2.78 0.22 5.19 0.00 -1.26 -3.27 120.51 122.21 2kd1 n ALA 98 Ca 0.01 -0.19 0.07 0.00 0.00 0.00 0.00 53.44 53.33 2kd1 n ALA 98 Cb 0.28 -1.26 0.52 0.00 0.00 0.00 0.00 19.45 18.99 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 2.57 1.38 -0.00 0.00 0.00 -1.85 -1.65 119.26 119.72 2kd1 h ALA 99 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kd1 h ALA 99 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2kd1 h ALA 99 CO 0.00 0.30 -0.02 1.63 0.00 0.00 0.00 179.25 181.16 2kd1 n LYS 100 N -3.93 0.05 -3.17 0.00 4.76 -1.20 -4.69 118.16 109.98 2kd1 n LYS 100 Ca -0.02 -0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 54.98 2kd1 n LYS 100 Cb 0.32 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.95 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 -2.95 4.89 0.33 -0.18 2.01 -0.62 -5.06 115.64 114.06 2kd1 s THR 101 Ca 0.16 -0.59 0.07 0.00 0.31 0.00 0.00 61.69 61.64 2kd1 s THR 101 Cb 0.19 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.37 2kd1 s THR 101 CO 0.53 -0.83 0.32 -1.59 -0.69 0.00 0.00 174.62 172.35 2kd1 s LYS 102 N 2.57 2.82 0.06 4.92 -2.85 -1.26 -4.96 119.74 121.03 2kd1 s LYS 102 Ca 0.14 -1.22 -0.31 0.00 -1.00 0.00 0.00 55.97 53.59 2kd1 s LYS 102 Cb -0.20 -2.55 -0.08 0.00 -2.06 0.00 0.00 37.83 32.94 2kd1 s LYS 102 CO 0.11 0.12 1.67 -1.17 0.10 0.00 0.00 175.35 176.18 2kd1 s LEU 103 N -4.01 4.37 1.33 2.77 2.96 -1.26 -5.03 118.68 119.81 2kd1 s LEU 103 Ca 0.41 2.48 -0.20 0.00 -0.22 0.00 0.00 54.13 56.60 2kd1 s LEU 103 Cb -0.07 -3.56 0.32 0.00 0.50 0.00 0.00 46.19 43.39 2kd1 s LEU 103 CO 0.27 -0.90 0.78 -2.65 -1.32 0.00 0.00 176.35 172.53 2kd1 n PRO 104 N 5.86 -3.81 -1.76 0.98 -0.02 -1.26 -4.86 135.00 130.13 2kd1 n PRO 104 Ca 0.16 -1.12 -0.40 0.00 -2.02 0.00 0.00 63.50 60.12 2kd1 n PRO 104 Cb 0.41 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 2kd1 n PRO 104 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2kd1 n LYS 105 N -4.87 2.29 -0.10 -0.52 2.85 -1.26 -4.41 118.16 112.14 2kd1 n LYS 105 Ca 0.09 -2.47 0.04 0.00 -1.05 0.00 0.00 58.31 54.92 2kd1 n LYS 105 Cb 0.55 -3.28 0.09 0.00 -0.65 0.00 0.00 35.03 31.75 2kd1 n LYS 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kd1 n ALA 106 N 8.27 2.21 -2.39 0.58 0.00 -1.26 -5.01 120.51 122.92 2kd1 n ALA 106 Ca 0.50 -0.98 -0.30 0.00 0.00 0.00 0.00 53.44 52.66 2kd1 n ALA 106 Cb 0.42 -0.31 -0.14 0.00 0.00 0.00 0.00 19.45 19.43 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 -0.92 3.37 -0.19 0.00 2.15 -1.26 -4.70 116.67 115.11 2kd1 s ASP 107 Ca 0.15 -0.59 -0.04 0.00 0.43 0.00 0.00 52.55 52.50 2kd1 s ASP 107 Cb 0.08 -0.35 -0.02 0.00 -0.30 0.00 0.00 42.92 42.33 2kd1 s ASP 107 CO 0.11 0.24 -0.03 -0.54 -0.17 0.00 0.00 175.17 174.78 2kd1 s LYS 108 N -1.52 3.54 0.17 4.34 1.02 -1.26 -5.12 119.74 120.91 2kd1 s LYS 108 Ca 0.13 -0.56 -0.09 0.00 0.02 0.00 0.00 55.97 55.47 2kd1 s LYS 108 Cb -0.10 -3.01 -0.07 0.00 -0.52 0.00 0.00 37.83 34.14 2kd1 s LYS 108 CO 0.04 -0.00 0.48 -2.00 -0.92 0.00 0.00 175.35 172.95 2kd1 s GLU 109 N 1.00 3.78 -0.31 1.68 2.56 -1.26 -5.03 118.70 121.12 2kd1 s GLU 109 Ca 0.01 0.21 0.13 0.00 0.00 0.00 0.00 54.97 55.32 2kd1 s GLU 109 Cb -0.14 -2.79 0.47 0.00 2.00 0.00 0.00 34.13 33.66 2kd1 s GLU 109 CO 0.01 0.42 1.12 0.39 -0.56 0.00 0.00 175.26 176.64 2kd1 n GLU 110 N 0.23 2.67 0.05 4.30 1.02 -1.26 -4.73 120.64 122.93 2kd1 n GLU 110 Ca -0.02 -3.90 0.05 0.00 -0.02 0.00 0.00 57.16 53.26 2kd1 n GLU 110 Cb 0.52 -1.93 -0.06 0.00 -0.02 0.00 0.00 31.44 29.96 2kd1 n GLU 110 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2kd1 n LEU 111 N -0.55 0.80 -4.55 -4.62 4.77 -1.26 -4.87 117.00 106.72 2kd1 n LEU 111 Ca 0.27 0.34 -0.37 0.00 -0.03 0.00 0.00 56.01 56.22 2kd1 n LEU 111 Cb 0.85 0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.93 2kd1 n LEU 111 CO 0.27 0.02 1.52 -1.61 -1.33 0.00 0.00 177.39 176.25 2kd1 s GLU 112 N -3.11 2.69 0.24 3.23 8.01 -1.26 -4.80 118.70 123.70 2kd1 s GLU 112 Ca -0.02 0.32 -0.09 0.00 0.01 0.00 0.00 54.97 55.19 2kd1 s GLU 112 Cb 0.09 -4.51 -0.01 0.00 -4.31 0.00 0.00 34.13 25.39 2kd1 s GLU 112 CO 0.81 -2.78 0.39 -1.58 0.01 0.00 0.00 175.26 172.11 2kd1 s HIS 113 N 8.82 0.62 0.50 1.61 2.46 -1.26 -5.06 115.29 122.98 2kd1 s HIS 113 Ca 0.64 -0.93 0.20 0.00 0.47 0.00 0.00 55.06 55.43 2kd1 s HIS 113 Cb -0.11 -0.03 1.25 0.00 -0.13 0.00 0.00 32.58 33.57 2kd1 s HIS 113 CO 0.16 -0.91 2.02 1.25 -2.47 0.00 0.00 174.74 174.78 2kd1 h HIS 114 N 2.34 0.14 -2.42 3.88 2.76 -2.03 -3.41 115.15 116.42 2kd1 h HIS 114 Ca -0.29 0.00 -0.53 0.00 -2.20 0.00 0.00 60.37 57.36 2kd1 h HIS 114 Cb 1.25 -0.05 -0.14 0.00 1.55 0.00 0.00 27.41 30.03 2kd1 h HIS 114 CO 0.45 0.07 -0.64 -1.01 -1.30 0.00 0.00 177.93 175.49 2kd1 s HIS 115 N -5.15 2.12 0.16 5.26 3.76 -1.26 -5.18 115.29 115.00 2kd1 s HIS 115 Ca -0.06 -0.73 0.02 0.00 -0.15 0.00 0.00 55.06 54.13 2kd1 s HIS 115 Cb 0.19 -1.32 -0.05 0.00 1.11 0.00 0.00 32.58 32.52 2kd1 s HIS 115 CO 0.73 0.28 -0.01 -1.01 -0.85 0.00 0.00 174.74 173.88 2kd1 s HIS 116 N -2.98 1.15 0.34 1.40 0.09 -1.26 -4.91 115.29 109.12 2kd1 s HIS 116 Ca 0.33 -1.01 0.08 0.00 -0.00 0.00 0.00 55.06 54.46 2kd1 s HIS 116 Cb 0.06 -0.66 -0.04 0.00 -0.00 0.00 0.00 32.58 31.94 2kd1 s HIS 116 CO 0.15 -0.21 0.15 -1.01 -0.00 0.00 0.00 174.74 173.81 2kd1 s HIS 117 N -3.67 2.71 0.00 1.40 3.76 -1.26 -5.18 115.29 113.06 2kd1 s HIS 117 Ca 0.22 -0.38 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 2kd1 s HIS 117 Cb 0.06 -1.66 0.00 0.00 1.11 0.00 0.00 32.58 32.09 2kd1 s HIS 117 CO 0.03 0.33 0.00 1.58 -0.85 0.00 0.00 174.74 175.82