#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 4.47 1.07 0.03 -1.05 -1.26 -5.05 118.70 116.91 2kd1 s GLU 2 Ca 0.00 1.65 -0.14 0.00 -0.15 0.00 0.00 54.97 56.34 2kd1 s GLU 2 Cb 0.00 -3.39 0.23 0.00 -0.44 0.00 0.00 34.13 30.52 2kd1 s GLU 2 CO 0.00 -0.20 1.08 -2.14 0.95 0.00 0.00 175.26 174.95 2kd1 s PRO 3 N 1.09 -0.16 -1.43 -4.83 0.02 -1.26 -4.91 135.00 123.52 2kd1 s PRO 3 Ca 0.56 0.43 -0.14 0.00 0.02 0.00 0.00 61.00 61.87 2kd1 s PRO 3 Cb -0.27 -1.68 0.05 0.00 0.02 0.00 0.00 34.50 32.63 2kd1 s PRO 3 CO 0.28 -3.11 2.15 0.43 -0.33 0.00 0.00 177.00 176.43 2kd1 n SER 4 N -4.42 4.06 -0.08 2.53 7.64 -1.26 -4.52 113.62 117.57 2kd1 n SER 4 Ca 0.06 -2.86 -0.14 0.00 1.01 0.00 0.00 58.87 56.94 2kd1 n SER 4 Cb 0.57 -1.66 -0.14 0.00 -1.01 0.00 0.00 64.21 61.97 2kd1 n SER 4 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kd1 n LYS 5 N 6.24 0.68 -1.81 1.43 4.76 -1.26 -4.87 118.16 123.32 2kd1 n LYS 5 Ca 0.51 0.13 -0.43 0.00 -2.87 0.00 0.00 58.31 55.65 2kd1 n LYS 5 Cb 0.40 -1.60 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 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 -6.12 3.47 0.39 -0.35 2.96 -1.26 -4.97 118.68 112.80 2kd1 s LEU 6 Ca -0.18 1.59 -0.25 0.00 -0.22 0.00 0.00 54.13 55.07 2kd1 s LEU 6 Cb 0.07 -3.52 -0.09 0.00 0.50 0.00 0.00 46.19 43.16 2kd1 s LEU 6 CO 0.76 -1.83 1.14 -0.55 -1.32 0.00 0.00 176.35 174.55 2kd1 s SER 7 N 7.14 6.62 0.41 3.68 0.15 -1.26 -2.37 113.70 128.06 2kd1 s SER 7 Ca 0.90 2.27 0.09 0.00 0.70 0.00 0.00 55.95 59.91 2kd1 s SER 7 Cb -0.28 -2.61 0.88 0.00 -1.71 0.00 0.00 66.02 62.31 2kd1 s SER 7 CO 0.34 -0.60 2.01 0.22 1.20 0.00 0.00 173.24 176.41 2kd1 h TYR 8 N 2.67 0.33 -0.29 3.44 3.20 -1.12 -1.83 116.97 123.37 2kd1 h TYR 8 Ca -0.48 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.22 2kd1 h TYR 8 Cb 1.23 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 2kd1 h TYR 8 CO 0.56 0.30 -0.42 0.78 -1.64 0.00 0.00 178.16 177.74 2kd1 h GLY 9 N 0.54 0.79 1.03 1.82 0.00 -1.20 0.95 103.07 107.00 2kd1 h GLY 9 Ca 0.08 -0.82 -0.04 0.00 0.00 0.00 0.00 47.33 46.55 2kd1 h GLY 9 CO -0.00 0.74 0.29 0.83 0.00 0.00 0.00 176.54 178.40 2kd1 h GLU 10 N 0.59 1.08 -0.48 4.80 4.39 -1.64 -2.72 114.58 120.60 2kd1 h GLU 10 Ca 0.04 -0.19 -0.12 0.00 0.34 0.00 0.00 59.36 59.43 2kd1 h GLU 10 Cb 0.97 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 2kd1 h GLU 10 CO 0.09 0.88 -0.18 -0.92 -1.16 0.00 0.00 179.01 177.72 2kd1 h TYR 11 N 1.03 1.07 -0.31 4.33 3.20 -1.03 -2.75 116.97 122.51 2kd1 h TYR 11 Ca 0.24 -0.24 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2kd1 h TYR 11 Cb 0.20 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 2kd1 h TYR 11 CO 0.02 1.04 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.49 2kd1 h LEU 12 N 0.82 0.45 0.05 2.82 3.38 -0.63 0.38 115.31 122.57 2kd1 h LEU 12 Ca 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2kd1 h LEU 12 Cb 0.74 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2kd1 h LEU 12 CO 0.06 0.53 -0.02 -0.33 0.09 0.00 0.00 178.44 178.76 2kd1 h GLU 13 N 0.46 -0.06 -0.76 1.13 4.39 -1.42 -0.49 114.58 117.84 2kd1 h GLU 13 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 2kd1 h GLU 13 Cb 0.32 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 2kd1 h GLU 13 CO 0.01 0.27 0.48 0.77 -1.16 0.00 0.00 179.01 179.39 2kd1 h SER 14 N -0.40 0.88 -0.12 1.42 0.02 -1.16 -0.77 113.55 113.42 2kd1 h SER 14 Ca -0.01 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2kd1 h SER 14 Cb 0.36 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2kd1 h SER 14 CO 0.01 0.65 -0.06 -0.25 -1.14 0.00 0.00 176.83 176.04 2kd1 h TRP 15 N 1.03 0.30 -0.29 3.45 7.01 -0.96 -3.35 115.95 123.15 2kd1 h TRP 15 Ca 0.28 -0.08 -0.04 0.00 2.11 0.00 0.00 58.89 61.16 2kd1 h TRP 15 Cb -0.09 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 26.89 2kd1 h TRP 15 CO 0.00 0.60 0.01 0.35 -2.79 0.00 0.00 178.44 176.62 2kd1 h PHE 16 N -0.09 0.54 -0.30 2.65 3.57 -0.55 -2.75 116.94 120.01 2kd1 h PHE 16 Ca 0.03 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.50 2kd1 h PHE 16 Cb 0.53 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.06 2kd1 h PHE 16 CO 0.07 0.63 -0.14 -0.91 -2.23 0.00 0.00 178.31 175.72 2kd1 h ASN 17 N 0.29 -0.49 0.91 0.41 2.35 -1.29 -0.71 115.58 117.06 2kd1 h ASN 17 Ca 0.08 0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 2kd1 h ASN 17 Cb 0.41 0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 2kd1 h ASN 17 CO 0.01 -0.18 -0.38 0.00 -1.65 0.00 0.00 177.43 175.23 2kd1 h THR 18 N -0.10 0.87 0.00 2.81 1.03 -1.68 -3.25 112.91 112.59 2kd1 h THR 18 Ca 0.16 -1.58 -0.04 0.00 -0.01 0.00 0.00 66.41 64.93 2kd1 h THR 18 Cb 0.34 1.97 -0.01 0.00 -1.07 0.00 0.00 68.15 69.38 2kd1 h THR 18 CO -0.37 0.38 -0.46 0.50 -0.01 0.00 0.00 175.52 175.56 2kd1 h LYS 19 N 0.00 0.00 -0.79 0.00 1.63 -0.87 -3.20 116.57 113.35 2kd1 h LYS 19 Ca -0.00 0.00 0.17 0.00 -0.85 0.00 0.00 60.65 59.97 2kd1 h LYS 19 Cb 0.94 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.52 2kd1 h LYS 19 CO 0.05 0.16 0.53 0.00 -3.45 0.00 0.00 179.45 176.74 2kd1 h ARG 20 N 0.00 0.34 0.00 1.90 3.08 -1.27 -1.00 114.38 117.43 2kd1 h ARG 20 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2kd1 h ARG 20 Cb 1.15 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2kd1 h ARG 20 CO 0.02 0.23 0.00 0.45 -1.07 0.00 0.00 179.97 179.60 2kd1 h HIS 21 N 0.35 0.00 0.00 3.04 3.86 -1.76 -0.90 115.15 119.74 2kd1 h HIS 21 Ca 0.39 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.27 2kd1 h HIS 21 Cb 1.01 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.42 2kd1 h HIS 21 CO -0.00 0.00 -2.28 0.43 0.86 0.00 0.00 177.93 176.94 2kd1 n SER 22 N -2.81 1.39 -0.00 2.45 7.64 -0.48 -4.59 113.62 117.21 2kd1 n SER 22 Ca 0.02 -0.06 -0.12 0.00 1.01 0.00 0.00 58.87 59.72 2kd1 n SER 22 Cb 0.35 0.28 -0.14 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.00 0.92 0.00 0.44 -1.51 -1.35 -3.51 116.25 111.24 2kd1 h VAL 23 Ca -0.50 -2.71 0.00 0.00 -1.23 0.00 0.00 66.70 62.25 2kd1 h VAL 23 Cb 1.95 2.51 0.00 0.00 -2.13 0.00 0.00 31.29 33.62 2kd1 h VAL 23 CO -0.03 0.64 0.00 0.61 -1.23 0.00 0.00 177.57 177.56 2kd1 n GLY 24 N 1.63 2.41 0.14 5.19 0.00 -0.34 -4.67 105.19 109.55 2kd1 n GLY 24 Ca -0.18 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.00 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 1.19 -0.13 -0.61 1.08 -1.97 0.43 117.51 117.51 2kd1 h ILE 25 Ca 0.00 -0.61 -0.08 0.00 -0.39 0.00 0.00 64.86 63.77 2kd1 h ILE 25 Cb 0.00 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 2kd1 h ILE 25 CO 0.00 0.20 -0.29 0.06 -0.69 0.00 0.00 178.15 177.43 2kd1 h GLN 26 N 0.24 0.24 -0.07 2.37 3.07 -1.94 -2.05 115.11 116.97 2kd1 h GLN 26 Ca 0.08 -0.09 -0.20 0.00 0.09 0.00 0.00 58.65 58.54 2kd1 h GLN 26 Cb 0.23 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.77 2kd1 h GLN 26 CO -0.00 0.52 -0.77 1.15 0.09 0.00 0.00 178.83 179.81 2kd1 h THR 27 N 0.22 1.37 -0.46 1.86 2.02 -1.77 -3.30 112.91 112.84 2kd1 h THR 27 Ca 0.03 -2.18 -0.13 0.00 0.77 0.00 0.00 66.41 64.90 2kd1 h THR 27 Cb 0.64 2.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 2kd1 h THR 27 CO 0.05 0.66 -0.24 0.00 0.37 0.00 0.00 175.52 176.36 2kd1 h ALA 28 N 0.86 0.70 -0.92 6.16 0.00 -0.45 -2.63 119.26 122.97 2kd1 h ALA 28 Ca -0.04 -0.40 0.18 0.00 0.00 0.00 0.00 54.91 54.65 2kd1 h ALA 28 Cb 1.37 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 2kd1 h ALA 28 CO 0.14 0.67 0.59 -0.22 0.00 0.00 0.00 179.25 180.43 2kd1 h LYS 29 N 0.83 0.54 0.12 0.00 3.64 -1.47 -1.34 116.57 118.89 2kd1 h LYS 29 Ca 0.10 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.16 2kd1 h LYS 29 Cb 0.81 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2kd1 h LYS 29 CO 0.07 0.35 -1.23 0.28 -2.27 0.00 0.00 179.45 176.65 2kd1 h VAL 30 N 0.55 1.34 -0.43 2.00 2.07 -1.60 0.79 116.25 120.96 2kd1 h VAL 30 Ca 0.49 -2.59 -0.04 0.00 0.82 0.00 0.00 66.70 65.37 2kd1 h VAL 30 Cb 1.00 2.74 -0.02 0.00 -1.52 0.00 0.00 31.29 33.49 2kd1 h VAL 30 CO -0.22 0.78 0.09 -0.07 0.02 0.00 0.00 177.57 178.17 2kd1 h LEU 31 N 0.22 0.66 -0.03 2.57 3.38 -1.01 -1.24 115.31 119.86 2kd1 h LEU 31 Ca -0.17 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.41 2kd1 h LEU 31 Cb 1.91 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 2kd1 h LEU 31 CO 0.23 0.73 -0.68 0.50 0.09 0.00 0.00 178.44 179.30 2kd1 h LYS 32 N 0.56 0.00 -0.24 1.13 3.64 -1.35 -0.79 116.57 119.52 2kd1 h LYS 32 Ca 0.13 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 2kd1 h LYS 32 Cb 0.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2kd1 h LYS 32 CO 0.00 0.68 0.17 0.78 -2.27 0.00 0.00 179.45 178.81 2kd1 h GLY 33 N 3.27 0.25 1.28 5.01 0.00 -0.60 -1.38 103.07 110.89 2kd1 h GLY 33 Ca -0.01 -0.09 -0.31 0.00 0.00 0.00 0.00 47.33 46.92 2kd1 h GLY 33 CO 0.09 0.08 -1.49 -0.97 0.00 0.00 0.00 176.54 174.24 2kd1 h TYR 34 N 0.22 0.64 0.00 5.60 0.05 -1.02 -3.33 116.97 119.13 2kd1 h TYR 34 Ca 0.10 -0.47 0.00 0.00 0.05 0.00 0.00 58.73 58.41 2kd1 h TYR 34 Cb 0.13 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 37.85 2kd1 h TYR 34 CO -0.00 1.46 0.00 1.28 -1.05 0.00 0.00 178.16 179.85 2kd1 n LEU 35 N -3.56 0.00 0.30 3.88 4.77 -0.32 -0.81 117.00 121.26 2kd1 n LEU 35 Ca -0.16 0.96 0.18 0.00 -0.03 0.00 0.00 56.01 56.95 2kd1 n LEU 35 Cb 1.06 -0.47 0.94 0.00 -2.33 0.00 0.00 43.42 42.62 2kd1 n LEU 35 CO 0.54 -0.47 1.08 -0.55 -1.33 0.00 0.00 177.39 176.66 2kd1 h ASN 36 N 0.00 0.00 0.00 -1.43 7.08 -1.52 0.13 115.58 119.83 2kd1 h ASN 36 Ca 0.00 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 53.11 2kd1 h ASN 36 Cb 0.00 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.22 2kd1 h ASN 36 CO 0.00 0.04 -0.61 -1.28 -2.08 0.00 0.00 177.43 173.49 2kd1 h SER 37 N 0.00 0.00 0.00 6.14 0.87 -1.67 -3.40 113.55 115.49 2kd1 h SER 37 Ca -0.00 -0.71 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 2kd1 h SER 37 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2kd1 h SER 37 CO 0.00 1.21 -0.40 0.54 -0.53 0.00 0.00 176.83 177.65 2kd1 n ARG 38 N -4.53 0.24 0.02 2.24 5.12 0.01 -4.69 116.66 115.06 2kd1 n ARG 38 Ca -0.20 0.17 -0.19 0.00 -1.93 0.00 0.00 57.85 55.71 2kd1 n ARG 38 Cb 0.56 -1.00 -0.11 0.00 -1.16 0.00 0.00 32.46 30.74 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 -0.46 1.39 0.46 0.55 5.03 -0.78 -3.24 117.51 120.45 2kd1 h ILE 39 Ca 0.00 -2.17 -0.01 0.00 -0.12 0.00 0.00 64.86 62.56 2kd1 h ILE 39 Cb 0.40 2.59 -0.01 0.00 -3.03 0.00 0.00 36.82 36.77 2kd1 h ILE 39 CO 0.00 0.64 -0.33 0.40 -0.68 0.00 0.00 178.15 178.18 2kd1 h ILE 40 N 0.02 0.32 0.00 -0.67 5.03 -1.29 0.36 117.51 121.28 2kd1 h ILE 40 Ca -0.10 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.64 2kd1 h ILE 40 Cb 1.46 0.32 0.00 0.00 -3.03 0.00 0.00 36.82 35.57 2kd1 h ILE 40 CO 0.15 0.00 0.00 -0.81 -0.68 0.00 0.00 178.15 176.81 2kd1 n PRO 41 N -5.46 0.06 0.00 2.37 -0.04 -1.26 -1.27 135.00 129.41 2kd1 n PRO 41 Ca -0.11 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2kd1 n PRO 41 Cb 0.36 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2kd1 n PRO 41 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kd1 n SER 42 N -1.44 0.00 0.01 3.54 2.88 -1.07 -4.80 113.62 112.72 2kd1 n SER 42 Ca 0.05 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.61 2kd1 n SER 42 Cb 0.17 -0.32 -0.11 0.00 -0.75 0.00 0.00 64.21 63.20 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 -2.19 0.49 -0.10 2.46 4.77 0.11 -4.41 117.00 118.12 2kd1 n LEU 43 Ca 0.00 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 2kd1 n LEU 43 Cb 0.00 0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2kd1 n LEU 43 CO 0.00 0.14 0.50 1.23 -1.33 0.00 0.00 177.39 177.92 2kd1 h GLY 44 N 3.87 1.00 2.00 -0.72 0.00 0.09 -2.57 103.07 106.73 2kd1 h GLY 44 Ca -0.18 -1.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.06 2kd1 h GLY 44 CO 0.03 0.97 -0.03 3.43 0.00 0.00 0.00 176.54 180.94 2kd1 h ASN 45 N 0.72 0.00 -3.74 0.19 4.21 -1.39 0.07 115.58 115.63 2kd1 h ASN 45 Ca 0.04 0.00 -0.49 0.00 1.21 0.00 0.00 56.30 57.06 2kd1 h ASN 45 Cb 1.06 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.23 2kd1 h ASN 45 CO 0.11 0.03 0.11 -0.63 -1.29 0.00 0.00 177.43 175.75 2kd1 s ILE 46 N -4.18 4.67 0.46 2.81 1.01 -0.97 -4.90 121.20 120.11 2kd1 s ILE 46 Ca -0.04 0.96 -0.22 0.00 0.00 0.00 0.00 60.65 61.35 2kd1 s ILE 46 Cb 0.13 -3.62 -0.08 0.00 0.01 0.00 0.00 42.46 38.91 2kd1 s ILE 46 CO 0.49 -0.21 1.11 -0.54 0.00 0.00 0.00 174.94 175.79 2kd1 s LYS 47 N -3.04 3.81 0.27 2.79 -0.14 -1.26 -1.37 119.74 120.80 2kd1 s LYS 47 Ca 0.54 1.63 0.00 0.00 -1.36 0.00 0.00 55.97 56.79 2kd1 s LYS 47 Cb -0.10 -2.34 0.54 0.00 -1.68 0.00 0.00 37.83 34.25 2kd1 s LYS 47 CO 0.18 -0.47 1.82 1.25 -0.76 0.00 0.00 175.35 177.36 2kd1 h LEU 48 N 1.98 0.82 0.00 3.17 5.85 -1.76 -0.66 115.31 124.71 2kd1 h LEU 48 Ca -0.49 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2kd1 h LEU 48 Cb 1.24 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2kd1 h LEU 48 CO 0.60 0.42 -0.11 0.00 -0.34 0.00 0.00 178.44 179.00 2kd1 h ALA 49 N 1.54 0.93 0.00 1.25 0.00 -1.91 -3.15 119.26 117.92 2kd1 h ALA 49 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2kd1 h ALA 49 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2kd1 h ALA 49 CO -0.29 0.00 -0.07 1.63 0.00 0.00 0.00 179.25 180.52 2kd1 n LYS 50 N -2.61 0.09 -1.70 0.00 4.76 -0.28 -4.72 118.16 113.71 2kd1 n LYS 50 Ca 0.04 0.07 -0.26 0.00 -2.87 0.00 0.00 58.31 55.29 2kd1 n LYS 50 Cb 0.48 -1.60 -0.05 0.00 -1.84 0.00 0.00 35.03 32.02 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 -3.52 3.15 0.57 -0.35 1.02 -1.07 -4.94 118.68 113.53 2kd1 s LEU 51 Ca 0.12 0.33 0.04 0.00 0.02 0.00 0.00 54.13 54.64 2kd1 s LEU 51 Cb 0.17 -2.53 0.06 0.00 0.02 0.00 0.00 46.19 43.91 2kd1 s LEU 51 CO 0.57 -3.19 0.80 0.28 0.02 0.00 0.00 176.35 174.83 2kd1 s THR 52 N 12.51 2.49 0.43 5.49 -1.32 -1.26 -4.86 115.64 129.13 2kd1 s THR 52 Ca 0.88 -0.78 0.14 0.00 -1.21 0.00 0.00 61.69 60.72 2kd1 s THR 52 Cb -0.13 -2.71 0.17 0.00 -1.51 0.00 0.00 72.50 68.32 2kd1 s THR 52 CO 0.14 0.00 1.97 -1.28 -2.21 0.00 0.00 174.62 173.24 2kd1 h SER 53 N 0.05 0.00 -0.74 8.08 0.87 -1.93 -1.96 113.55 117.91 2kd1 h SER 53 Ca -0.38 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.22 2kd1 h SER 53 Cb 1.28 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.20 2kd1 h SER 53 CO 0.45 0.21 0.49 0.25 -0.53 0.00 0.00 176.83 177.70 2kd1 h LEU 54 N 0.00 0.76 -0.74 2.23 5.85 -1.95 -1.23 115.31 120.23 2kd1 h LEU 54 Ca -0.00 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 2kd1 h LEU 54 Cb 0.38 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2kd1 h LEU 54 CO 0.03 0.52 -0.32 0.45 -0.34 0.00 0.00 178.44 178.78 2kd1 h HIS 55 N 0.89 0.69 -0.02 1.25 3.86 -1.74 -0.61 115.15 119.47 2kd1 h HIS 55 Ca 0.30 -0.18 -0.18 0.00 -1.16 0.00 0.00 60.37 59.15 2kd1 h HIS 55 Cb 0.08 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.38 2kd1 h HIS 55 CO -0.00 0.85 -0.79 0.52 0.86 0.00 0.00 177.93 179.37 2kd1 h MET 56 N 0.51 0.22 0.10 2.45 2.86 -1.45 -2.38 114.93 117.24 2kd1 h MET 56 Ca 0.06 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2kd1 h MET 56 Cb 0.80 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2kd1 h MET 56 CO 0.07 0.90 -0.05 0.37 1.06 0.00 0.00 176.91 179.26 2kd1 h GLN 57 N 0.14 -0.13 -0.25 1.72 5.75 -0.99 -2.10 115.11 119.25 2kd1 h GLN 57 Ca -0.03 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2kd1 h GLN 57 Cb 1.38 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.95 2kd1 h GLN 57 CO 0.12 0.14 0.12 -0.91 -2.65 0.00 0.00 178.83 175.65 2kd1 h ASN 58 N -0.40 0.30 0.02 -0.69 2.35 -1.15 -1.35 115.58 114.66 2kd1 h ASN 58 Ca -0.01 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2kd1 h ASN 58 Cb 0.33 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.63 2kd1 h ASN 58 CO 0.02 0.27 -0.01 0.22 -1.65 0.00 0.00 177.43 176.28 2kd1 h TYR 59 N 0.35 -0.02 -0.49 1.19 3.20 -1.34 -1.92 116.97 117.92 2kd1 h TYR 59 Ca 0.09 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 2kd1 h TYR 59 Cb 0.04 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 2kd1 h TYR 59 CO 0.00 0.34 0.07 0.28 -1.64 0.00 0.00 178.16 177.21 2kd1 h VAL 60 N -0.39 1.23 -0.48 1.81 2.07 -0.93 -1.86 116.25 117.70 2kd1 h VAL 60 Ca -0.00 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.56 2kd1 h VAL 60 Cb 0.37 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2kd1 h VAL 60 CO 0.00 0.32 -0.04 0.78 0.02 0.00 0.00 177.57 178.65 2kd1 h ASN 61 N 0.74 0.82 -0.53 0.57 2.35 -1.29 -2.71 115.58 115.53 2kd1 h ASN 61 Ca 0.16 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.64 2kd1 h ASN 61 Cb 0.35 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 2kd1 h ASN 61 CO 0.01 0.91 0.16 -1.28 -1.65 0.00 0.00 177.43 175.57 2kd1 h SER 62 N 0.77 0.82 -0.28 5.81 0.87 -0.63 -2.94 113.55 117.97 2kd1 h SER 62 Ca 0.14 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 2kd1 h SER 62 Cb 0.52 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 2kd1 h SER 62 CO 0.03 0.79 -0.02 -0.07 -0.53 0.00 0.00 176.83 177.03 2kd1 h LEU 63 N 0.85 0.59 -0.07 2.23 3.38 -1.04 0.10 115.31 121.36 2kd1 h LEU 63 Ca 0.19 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kd1 h LEU 63 Cb 0.28 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2kd1 h LEU 63 CO -0.00 0.67 0.04 -0.09 0.09 0.00 0.00 178.44 179.14 2kd1 h ARG 64 N 0.58 0.09 0.00 1.13 2.43 -1.41 -1.54 114.38 115.67 2kd1 h ARG 64 Ca 0.12 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 2kd1 h ARG 64 Cb 0.40 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2kd1 h ARG 64 CO 0.02 0.14 -0.38 -0.44 -1.51 0.00 0.00 179.97 177.80 2kd1 h ASP 65 N 0.02 0.00 0.88 -3.80 5.19 -1.22 -1.72 116.42 115.77 2kd1 h ASP 65 Ca 0.02 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.37 2kd1 h ASP 65 Cb 0.08 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 2kd1 h ASP 65 CO -0.00 0.38 -0.29 -0.33 -3.12 0.00 0.00 179.24 175.87 2kd1 h GLU 66 N 0.00 0.00 -1.00 3.56 4.39 -0.71 -3.47 114.58 117.35 2kd1 h GLU 66 Ca -0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2kd1 h GLU 66 Cb 0.74 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 2kd1 h GLU 66 CO 0.05 0.29 -0.18 0.41 -1.16 0.00 0.00 179.01 178.41 2kd1 n GLY 67 N 0.18 0.13 3.77 -3.84 0.00 -0.65 -5.02 105.19 99.76 2kd1 n GLY 67 Ca -0.00 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.08 4.27 0.67 0.99 1.43 -0.70 -5.03 118.68 118.23 2kd1 s LEU 68 Ca 0.00 2.53 -0.08 0.00 -1.03 0.00 0.00 54.13 55.54 2kd1 s LEU 68 Cb 0.00 -3.87 0.03 0.00 0.03 0.00 0.00 46.19 42.38 2kd1 s LEU 68 CO 0.00 -0.68 1.01 -1.59 0.23 0.00 0.00 176.35 175.33 2kd1 s LYS 69 N -2.11 2.65 0.26 1.70 -2.85 -1.26 -4.75 119.74 113.37 2kd1 s LYS 69 Ca 0.54 0.09 -0.04 0.00 -1.00 0.00 0.00 55.97 55.57 2kd1 s LYS 69 Cb -0.35 -2.14 0.52 0.00 -2.06 0.00 0.00 37.83 33.79 2kd1 s LYS 69 CO 0.46 -1.01 1.66 0.07 0.10 0.00 0.00 175.35 176.63 2kd1 h ARG 70 N -0.50 0.19 0.01 1.78 0.11 -1.96 -0.61 114.38 113.40 2kd1 h ARG 70 Ca -0.45 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.62 2kd1 h ARG 70 Cb 1.28 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.31 2kd1 h ARG 70 CO 0.62 0.12 -0.00 0.78 0.10 0.00 0.00 179.97 181.59 2kd1 h GLY 71 N 0.19 -0.01 0.83 0.08 0.00 -1.87 -2.43 103.07 99.86 2kd1 h GLY 71 Ca 0.45 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.81 2kd1 h GLY 71 CO -0.60 -0.00 0.25 -0.84 0.00 0.00 0.00 176.54 175.34 2kd1 h THR 72 N -0.31 1.01 -0.18 4.70 2.02 -1.68 -0.25 112.91 118.23 2kd1 h THR 72 Ca -0.00 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.06 2kd1 h THR 72 Cb 0.30 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 2kd1 h THR 72 CO 0.00 0.09 -0.13 0.40 0.37 0.00 0.00 175.52 176.25 2kd1 h ILE 73 N 0.50 0.63 -0.42 3.11 2.04 -1.16 -1.92 117.51 120.28 2kd1 h ILE 73 Ca 0.19 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.96 2kd1 h ILE 73 Cb 0.06 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 2kd1 h ILE 73 CO -0.11 0.00 -0.09 -0.08 0.00 0.00 0.00 178.15 177.87 2kd1 h GLU 74 N -0.13 0.80 -0.47 2.37 4.81 -1.04 -2.85 114.58 118.07 2kd1 h GLU 74 Ca 0.11 -0.30 -0.10 0.00 -0.13 0.00 0.00 59.36 58.94 2kd1 h GLU 74 Cb 0.29 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2kd1 h GLU 74 CO -0.26 0.92 -0.09 0.87 -0.73 0.00 0.00 179.01 179.72 2kd1 h LYS 75 N 0.63 0.90 -0.14 1.92 1.57 -0.82 0.73 116.57 121.36 2kd1 h LYS 75 Ca 0.11 -0.33 -0.14 0.00 -1.87 0.00 0.00 60.65 58.42 2kd1 h LYS 75 Cb 0.62 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2kd1 h LYS 75 CO 0.04 0.98 -0.50 -0.84 -0.57 0.00 0.00 179.45 178.56 2kd1 h ILE 76 N 0.74 1.34 -0.71 1.86 3.07 -1.40 -0.94 117.51 121.47 2kd1 h ILE 76 Ca 0.12 -1.74 -0.06 0.00 1.55 0.00 0.00 64.86 64.74 2kd1 h ILE 76 Cb 0.63 1.78 -0.03 0.00 -0.27 0.00 0.00 36.82 38.93 2kd1 h ILE 76 CO 0.04 0.53 0.21 0.40 -1.05 0.00 0.00 178.15 178.28 2kd1 h ILE 77 N 0.29 1.26 -0.86 0.16 1.08 -1.25 -2.59 117.51 115.60 2kd1 h ILE 77 Ca 0.01 -0.91 -0.01 0.00 -0.39 0.00 0.00 64.86 63.56 2kd1 h ILE 77 Cb 0.98 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 35.19 2kd1 h ILE 77 CO 0.08 0.35 0.49 0.11 -0.69 0.00 0.00 178.15 178.50 2kd1 h LYS 78 N 1.06 1.19 -0.46 2.37 1.79 -0.16 -0.53 116.57 121.82 2kd1 h LYS 78 Ca 0.23 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.53 2kd1 h LYS 78 Cb 0.32 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 2kd1 h LYS 78 CO -0.01 0.86 0.13 0.28 -1.08 0.00 0.00 179.45 179.63 2kd1 h VAL 79 N 1.19 1.23 -0.24 0.50 2.07 -1.07 0.75 116.25 120.68 2kd1 h VAL 79 Ca 0.31 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 2kd1 h VAL 79 Cb 0.00 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 2kd1 h VAL 79 CO -0.05 0.28 0.13 0.40 0.02 0.00 0.00 177.57 178.35 2kd1 h ILE 80 N 0.61 1.12 -0.26 4.57 2.04 -1.19 -2.09 117.51 122.31 2kd1 h ILE 80 Ca 0.15 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 2kd1 h ILE 80 Cb 0.29 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 2kd1 h ILE 80 CO -0.00 0.12 0.15 0.03 0.00 0.00 0.00 178.15 178.45 2kd1 h ARG 81 N 0.28 0.36 -0.73 2.37 3.08 -0.92 -1.56 114.38 117.25 2kd1 h ARG 81 Ca 0.08 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2kd1 h ARG 81 Cb 0.07 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2kd1 h ARG 81 CO -0.01 0.30 0.37 -0.91 -1.07 0.00 0.00 179.97 178.65 2kd1 h ASN 82 N 0.32 0.93 -0.35 7.04 2.35 -0.74 0.26 115.58 125.39 2kd1 h ASN 82 Ca 0.09 -0.09 -0.15 0.00 -0.55 0.00 0.00 56.30 55.60 2kd1 h ASN 82 Cb 0.04 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 2kd1 h ASN 82 CO -0.02 0.77 -0.37 0.77 -1.65 0.00 0.00 177.43 176.93 2kd1 h SER 83 N 1.03 0.93 0.70 5.81 4.64 -1.27 -2.46 113.55 122.94 2kd1 h SER 83 Ca 0.26 -0.48 -0.07 0.00 -0.47 0.00 0.00 61.79 61.03 2kd1 h SER 83 Cb 0.07 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 2kd1 h SER 83 CO -0.04 1.22 -0.36 -0.07 -0.87 0.00 0.00 176.83 176.72 2kd1 h LEU 84 N 0.67 0.00 -0.25 5.97 3.38 -0.41 0.50 115.31 125.16 2kd1 h LEU 84 Ca 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2kd1 h LEU 84 Cb 0.97 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2kd1 h LEU 84 CO 0.09 0.36 0.04 -0.33 0.09 0.00 0.00 178.44 178.68 2kd1 h GLU 85 N 0.00 0.42 0.00 1.13 4.39 -0.45 -2.10 114.58 117.97 2kd1 h GLU 85 Ca -0.00 -0.12 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 2kd1 h GLU 85 Cb 0.80 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2kd1 h GLU 85 CO 0.05 0.56 -0.29 1.25 -1.16 0.00 0.00 179.01 179.41 2kd1 h HIS 86 N 0.23 0.00 -0.02 4.33 2.76 -1.12 -1.60 115.15 119.73 2kd1 h HIS 86 Ca 0.08 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.09 2kd1 h HIS 86 Cb 0.34 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.28 2kd1 h HIS 86 CO 0.02 0.29 -0.70 0.00 -1.30 0.00 0.00 177.93 176.24 2kd1 h ALA 87 N 1.71 0.80 -0.22 5.26 0.00 -0.68 0.28 119.26 126.41 2kd1 h ALA 87 Ca -0.00 -0.62 -0.19 0.00 0.00 0.00 0.00 54.91 54.09 2kd1 h ALA 87 Cb 0.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2kd1 h ALA 87 CO 0.04 0.84 -0.63 0.82 0.00 0.00 0.00 179.25 180.32 2kd1 h ILE 88 N 0.06 1.29 -0.88 0.00 2.04 -1.05 0.25 117.51 119.21 2kd1 h ILE 88 Ca -0.01 -1.84 0.03 0.00 1.00 0.00 0.00 64.86 64.04 2kd1 h ILE 88 Cb 1.24 1.79 -0.05 0.00 -0.74 0.00 0.00 36.82 39.06 2kd1 h ILE 88 CO 0.10 0.59 0.57 -0.78 0.00 0.00 0.00 178.15 178.63 2kd1 h ASP 89 N 0.57 0.95 0.39 1.72 3.58 -1.10 -1.28 116.42 121.25 2kd1 h ASP 89 Ca -0.01 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2kd1 h ASP 89 Cb 1.24 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2kd1 h ASP 89 CO 0.13 0.66 -0.13 0.18 -2.88 0.00 0.00 179.24 177.20 2kd1 n LEU 90 N -4.53 0.48 -1.30 2.28 4.77 0.07 -4.94 117.00 113.84 2kd1 n LEU 90 Ca 0.11 0.02 -0.15 0.00 -0.03 0.00 0.00 56.01 55.96 2kd1 n LEU 90 Cb 0.08 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 2kd1 n LEU 90 CO 0.34 0.09 -0.15 -0.62 -1.33 0.00 0.00 177.39 175.72 2kd1 n GLU 91 N -0.98 -1.06 -0.11 3.23 1.02 -0.48 -4.91 120.64 117.33 2kd1 n GLU 91 Ca 0.14 0.91 -0.12 0.00 -0.02 0.00 0.00 57.16 58.07 2kd1 n GLU 91 Cb 0.29 -5.10 -0.03 0.00 -0.02 0.00 0.00 31.44 26.58 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 0.78 -8.77 -4.62 3.38 -0.82 -3.45 115.31 101.81 2kd1 h LEU 92 Ca -0.31 -0.42 -0.55 0.00 0.09 0.00 0.00 57.88 56.68 2kd1 h LEU 92 Cb 1.05 -0.22 -0.20 0.00 0.09 0.00 0.00 40.66 41.39 2kd1 h LEU 92 CO 0.43 1.03 -0.81 0.27 0.09 0.00 0.00 178.44 179.45 2kd1 s ILE 93 N -4.55 1.81 -0.15 1.22 -4.36 -1.08 -4.90 121.20 109.18 2kd1 s ILE 93 Ca -0.12 -1.74 0.17 0.00 -0.26 0.00 0.00 60.65 58.69 2kd1 s ILE 93 Cb 0.09 -1.73 -0.05 0.00 1.25 0.00 0.00 42.46 42.03 2kd1 s ILE 93 CO 0.83 -0.17 1.08 0.71 0.24 0.00 0.00 174.94 177.62 2kd1 h THR 94 N 3.66 0.58 -2.85 8.37 1.35 -1.89 -3.34 112.91 118.79 2kd1 h THR 94 Ca -0.45 -1.98 -0.14 0.00 -0.55 0.00 0.00 66.41 63.30 2kd1 h THR 94 Cb 1.19 2.13 -0.25 0.00 -1.73 0.00 0.00 68.15 69.49 2kd1 h THR 94 CO 0.45 0.33 -0.31 -0.75 -0.25 0.00 0.00 175.52 174.99 2kd1 s LYS 95 N -2.98 0.40 -0.41 4.72 2.20 -1.26 -5.01 119.74 117.40 2kd1 s LYS 95 Ca -0.00 0.54 -0.29 0.00 -0.36 0.00 0.00 55.97 55.87 2kd1 s LYS 95 Cb 0.08 0.15 0.01 0.00 -1.51 0.00 0.00 37.83 36.56 2kd1 s LYS 95 CO 0.78 -0.07 1.40 1.21 -0.36 0.00 0.00 175.35 178.31 2kd1 s ASN 96 N 0.45 6.36 0.00 1.43 3.84 -1.26 -4.90 114.94 120.86 2kd1 s ASN 96 Ca -0.02 0.84 0.30 0.00 0.21 0.00 0.00 52.86 54.20 2kd1 s ASN 96 Cb -0.04 -2.54 1.75 0.00 -0.55 0.00 0.00 41.25 39.88 2kd1 s ASN 96 CO -0.02 -1.41 2.13 1.33 -2.79 0.00 0.00 177.10 176.33 2kd1 n VAL 97 N 7.03 0.01 0.20 -5.21 0.24 -1.26 -2.38 118.33 116.95 2kd1 n VAL 97 Ca 0.16 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.51 2kd1 n VAL 97 Cb 0.48 -0.52 0.07 0.00 -1.47 0.00 0.00 33.84 32.40 2kd1 n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd1 n ALA 98 N -1.06 2.36 0.20 2.33 0.00 -1.26 -4.66 120.51 118.42 2kd1 n ALA 98 Ca 0.21 -0.78 0.05 0.00 0.00 0.00 0.00 53.44 52.92 2kd1 n ALA 98 Cb 0.13 -0.35 0.43 0.00 0.00 0.00 0.00 19.45 19.66 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 1.87 1.37 -0.21 0.00 0.00 -1.86 -1.87 119.26 118.56 2kd1 h ALA 99 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2kd1 h ALA 99 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kd1 h ALA 99 CO 0.00 0.39 0.00 1.63 0.00 0.00 0.00 179.25 181.27 2kd1 n LYS 100 N -4.00 2.05 -3.43 0.00 4.76 -1.26 -4.78 118.16 111.50 2kd1 n LYS 100 Ca -0.02 -1.57 -0.44 0.00 -2.87 0.00 0.00 58.31 53.42 2kd1 n LYS 100 Cb 0.37 -1.45 -0.09 0.00 -1.84 0.00 0.00 35.03 32.02 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 -1.74 5.25 0.40 -0.18 2.01 -0.70 -5.07 115.64 115.60 2kd1 s THR 101 Ca 0.34 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.55 2kd1 s THR 101 Cb 0.20 -4.02 -0.06 0.00 0.01 0.00 0.00 72.50 68.62 2kd1 s THR 101 CO 0.29 -0.43 0.03 -1.59 -0.69 0.00 0.00 174.62 172.23 2kd1 s LYS 102 N 1.66 1.90 0.17 4.92 -2.85 -1.26 -4.96 119.74 119.32 2kd1 s LYS 102 Ca 0.05 -2.09 -0.32 0.00 -1.00 0.00 0.00 55.97 52.61 2kd1 s LYS 102 Cb -0.21 -1.35 -0.10 0.00 -2.06 0.00 0.00 37.83 34.10 2kd1 s LYS 102 CO 0.08 -0.15 1.60 -1.17 0.10 0.00 0.00 175.35 175.82 2kd1 s LEU 103 N -3.66 4.37 0.00 2.77 2.96 -1.26 -5.03 118.68 118.82 2kd1 s LEU 103 Ca 0.31 2.66 -0.16 0.00 -0.22 0.00 0.00 54.13 56.73 2kd1 s LEU 103 Cb 0.08 -3.59 0.24 0.00 0.50 0.00 0.00 46.19 43.42 2kd1 s LEU 103 CO 0.15 -0.85 0.55 -2.65 -1.32 0.00 0.00 176.35 172.23 2kd1 n PRO 104 N 4.04 -2.73 -1.52 0.98 -0.02 -1.26 -4.77 135.00 129.72 2kd1 n PRO 104 Ca 0.14 -0.92 -0.14 0.00 -2.02 0.00 0.00 63.50 60.56 2kd1 n PRO 104 Cb 0.38 -1.44 -0.10 0.00 -0.02 0.00 0.00 33.50 32.31 2kd1 n PRO 104 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kd1 n LYS 105 N -3.13 0.35 -3.63 -0.52 5.02 -1.26 -4.73 118.16 110.27 2kd1 n LYS 105 Ca 0.09 -0.85 -0.03 0.00 -2.02 0.00 0.00 58.31 55.50 2kd1 n LYS 105 Cb 0.38 -3.19 -0.03 0.00 -0.02 0.00 0.00 35.03 32.17 2kd1 n LYS 105 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kd1 s ALA 106 N 12.31 -2.12 0.00 7.82 0.00 -1.26 -5.15 121.76 133.35 2kd1 s ALA 106 Ca 0.92 1.80 0.00 0.00 0.00 0.00 0.00 51.96 54.68 2kd1 s ALA 106 Cb -0.22 -0.72 0.00 0.00 0.00 0.00 0.00 23.12 22.18 2kd1 s ALA 106 CO 0.18 -0.44 0.00 -3.47 0.00 0.00 0.00 175.76 172.02 2kd1 n ASP 107 N 0.19 0.65 -2.09 0.00 2.03 -1.26 -5.00 116.55 111.07 2kd1 n ASP 107 Ca 0.01 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.32 2kd1 n ASP 107 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 2kd1 n ASP 107 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kd1 n LYS 108 N 0.00 0.65 -3.46 -0.67 4.01 -1.26 -4.24 118.16 113.19 2kd1 n LYS 108 Ca 0.00 -0.09 -0.40 0.00 -0.51 0.00 0.00 58.31 57.31 2kd1 n LYS 108 Cb 0.00 -0.02 -0.10 0.00 -0.51 0.00 0.00 35.03 34.40 2kd1 n LYS 108 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2kd1 s GLU 109 N -2.42 3.71 0.63 1.97 0.41 -1.26 -4.79 118.70 116.95 2kd1 s GLU 109 Ca 0.02 -0.36 0.32 0.00 -0.41 0.00 0.00 54.97 54.55 2kd1 s GLU 109 Cb -0.00 -3.75 1.81 0.00 -1.78 0.00 0.00 34.13 30.41 2kd1 s GLU 109 CO 0.01 -0.39 2.10 1.05 -0.49 0.00 0.00 175.26 177.55 2kd1 h GLU 110 N 8.40 0.00 0.06 1.61 9.09 -2.01 -2.83 114.58 128.89 2kd1 h GLU 110 Ca -0.31 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.09 2kd1 h GLU 110 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 2kd1 h GLU 110 CO 0.64 0.00 -0.03 -0.07 0.05 0.00 0.00 179.01 179.61 2kd1 h LEU 111 N 0.00 -0.06 -8.68 3.06 3.38 -2.06 -3.45 115.31 107.49 2kd1 h LEU 111 Ca 0.05 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.40 2kd1 h LEU 111 Cb 0.47 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.11 2kd1 h LEU 111 CO -0.00 0.28 0.34 -1.61 0.09 0.00 0.00 178.44 177.54 2kd1 s GLU 112 N -1.69 3.50 0.00 1.13 2.02 -1.07 -5.05 118.70 117.55 2kd1 s GLU 112 Ca -0.01 -0.00 0.00 0.00 0.02 0.00 0.00 54.97 54.97 2kd1 s GLU 112 Cb 0.00 -3.90 0.00 0.00 0.10 0.00 0.00 34.13 30.33 2kd1 s GLU 112 CO 0.03 -1.03 0.00 -2.39 0.02 0.00 0.00 175.26 171.90 2kd1 n HIS 113 N 6.59 -3.12 -2.40 1.61 1.44 -1.26 -4.25 115.22 113.83 2kd1 n HIS 113 Ca 0.02 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.69 2kd1 n HIS 113 Cb 0.48 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.62 2kd1 n HIS 113 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kd1 n HIS 114 N -1.78 -0.58 -2.63 -1.40 8.25 -1.26 -5.01 115.22 110.81 2kd1 n HIS 114 Ca 0.00 0.25 -0.42 0.00 -0.26 0.00 0.00 57.72 57.28 2kd1 n HIS 114 Cb 0.00 -2.75 -0.03 0.00 1.12 0.00 0.00 29.99 28.33 2kd1 n HIS 114 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kd1 s HIS 115 N -3.09 2.64 -0.45 4.41 0.09 -1.26 -5.00 115.29 112.62 2kd1 s HIS 115 Ca 0.01 0.33 -0.26 0.00 -0.00 0.00 0.00 55.06 55.13 2kd1 s HIS 115 Cb -0.00 -4.44 0.03 0.00 -0.00 0.00 0.00 32.58 28.16 2kd1 s HIS 115 CO 0.19 -1.55 0.98 -1.01 -0.00 0.00 0.00 174.74 173.35 2kd1 s HIS 116 N 4.78 2.92 -0.16 1.40 3.76 -1.26 -5.00 115.29 121.73 2kd1 s HIS 116 Ca 0.40 0.54 -0.22 0.00 -0.15 0.00 0.00 55.06 55.63 2kd1 s HIS 116 Cb -0.08 -4.03 0.06 0.00 1.11 0.00 0.00 32.58 29.64 2kd1 s HIS 116 CO 0.24 -1.09 0.58 -3.38 -0.85 0.00 0.00 174.74 170.23 2kd1 s HIS 117 N 3.88 -0.60 -2.00 1.40 -3.43 -1.26 -5.12 115.29 108.16 2kd1 s HIS 117 Ca 0.40 1.34 0.05 0.00 -0.80 0.00 0.00 55.06 56.05 2kd1 s HIS 117 Cb -0.10 0.25 0.31 0.00 -1.43 0.00 0.00 32.58 31.61 2kd1 s HIS 117 CO 0.26 -0.38 0.78 1.58 -2.00 0.00 0.00 174.74 174.98