#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 1.20 -2.49 2.12 2.13 -1.26 -4.88 120.64 117.46 2kd1 n GLU 2 Ca 0.00 0.33 -0.41 0.00 0.66 0.00 0.00 57.16 57.74 2kd1 n GLU 2 Cb 0.00 -2.54 -0.03 0.00 0.27 0.00 0.00 31.44 29.14 2kd1 n GLU 2 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2kd1 s PRO 3 N 6.14 3.30 -0.14 5.31 0.02 -1.26 -4.88 135.00 143.49 2kd1 s PRO 3 Ca 1.08 0.17 -0.01 0.00 0.02 0.00 0.00 61.00 62.26 2kd1 s PRO 3 Cb -0.80 -4.12 0.06 0.00 0.02 0.00 0.00 34.50 29.66 2kd1 s PRO 3 CO 0.48 -1.97 2.16 0.43 -0.33 0.00 0.00 177.00 177.78 2kd1 n SER 4 N 9.31 5.80 -0.31 2.53 7.64 -1.26 -4.23 113.62 133.10 2kd1 n SER 4 Ca 0.08 -2.69 0.04 0.00 1.01 0.00 0.00 58.87 57.31 2kd1 n SER 4 Cb 0.49 -1.13 0.04 0.00 -1.01 0.00 0.00 64.21 62.60 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 1.13 0.41 -2.12 1.43 5.02 -1.26 -4.42 118.16 118.34 2kd1 n LYS 5 Ca 0.16 -1.06 -0.42 0.00 -2.02 0.00 0.00 58.31 54.97 2kd1 n LYS 5 Cb 0.56 -1.14 -0.03 0.00 -0.02 0.00 0.00 35.03 34.40 2kd1 n LYS 5 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2kd1 s LEU 6 N -0.66 4.29 0.29 -0.35 2.96 -1.26 -4.92 118.68 119.03 2kd1 s LEU 6 Ca 0.09 2.12 -0.29 0.00 -0.22 0.00 0.00 54.13 55.83 2kd1 s LEU 6 Cb 0.06 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.11 2kd1 s LEU 6 CO 0.09 -0.85 1.27 -0.44 -1.32 0.00 0.00 176.35 175.10 2kd1 s SER 7 N 2.75 6.90 0.38 3.68 0.01 -1.26 -1.37 113.70 124.78 2kd1 s SER 7 Ca 0.68 2.54 0.08 0.00 1.31 0.00 0.00 55.95 60.55 2kd1 s SER 7 Cb -0.31 -2.64 0.75 0.00 0.21 0.00 0.00 66.02 64.04 2kd1 s SER 7 CO 0.26 -0.45 1.93 0.22 0.41 0.00 0.00 173.24 175.61 2kd1 h TYR 8 N 3.96 0.37 -0.30 2.43 3.20 -1.21 -0.76 116.97 124.66 2kd1 h TYR 8 Ca -0.47 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.25 2kd1 h TYR 8 Cb 1.22 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 2kd1 h TYR 8 CO 0.58 0.40 -0.28 0.78 -1.64 0.00 0.00 178.16 178.01 2kd1 h GLY 9 N 0.72 0.66 1.29 1.82 0.00 -1.17 0.11 103.07 106.49 2kd1 h GLY 9 Ca 0.08 -0.57 -0.17 0.00 0.00 0.00 0.00 47.33 46.66 2kd1 h GLY 9 CO 0.01 0.52 -0.52 0.83 0.00 0.00 0.00 176.54 177.38 2kd1 h GLU 10 N 0.53 0.75 -0.85 4.80 4.39 -1.62 -3.16 114.58 119.41 2kd1 h GLU 10 Ca 0.07 -0.46 -0.03 0.00 0.34 0.00 0.00 59.36 59.28 2kd1 h GLU 10 Cb 0.75 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.41 2kd1 h GLU 10 CO 0.06 1.08 0.41 -0.92 -1.16 0.00 0.00 179.01 178.48 2kd1 h TYR 11 N 0.58 1.23 -0.17 4.33 3.20 -0.80 -2.68 116.97 122.65 2kd1 h TYR 11 Ca 0.02 -0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.75 2kd1 h TYR 11 Cb 1.10 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 2kd1 h TYR 11 CO 0.06 0.89 -0.24 -0.07 -1.64 0.00 0.00 178.16 177.15 2kd1 h LEU 12 N 1.22 0.31 -0.27 2.82 3.38 -0.96 0.81 115.31 122.62 2kd1 h LEU 12 Ca 0.29 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.97 2kd1 h LEU 12 Cb 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2kd1 h LEU 12 CO -0.04 0.56 -0.61 -0.33 0.09 0.00 0.00 178.44 178.12 2kd1 h GLU 13 N 0.29 0.85 -0.29 1.13 4.39 -1.50 -0.24 114.58 119.20 2kd1 h GLU 13 Ca 0.05 -0.58 -0.03 0.00 0.34 0.00 0.00 59.36 59.14 2kd1 h GLU 13 Cb 0.59 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 2kd1 h GLU 13 CO 0.04 1.21 0.08 1.03 -1.16 0.00 0.00 179.01 180.20 2kd1 h SER 14 N 0.64 0.44 -0.53 1.42 0.87 -1.17 -2.20 113.55 113.03 2kd1 h SER 14 Ca -0.00 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.33 2kd1 h SER 14 Cb 1.22 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 63.04 2kd1 h SER 14 CO 0.13 0.55 0.34 -0.25 -0.53 0.00 0.00 176.83 177.08 2kd1 h TRP 15 N 0.31 0.67 -0.44 2.24 7.01 -0.87 -2.96 115.95 121.92 2kd1 h TRP 15 Ca 0.09 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.12 2kd1 h TRP 15 Cb 0.28 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.09 2kd1 h TRP 15 CO 0.01 0.43 0.26 0.35 -2.79 0.00 0.00 178.44 176.71 2kd1 h PHE 16 N 0.71 0.49 -0.81 2.65 3.57 -0.92 1.00 116.94 123.64 2kd1 h PHE 16 Ca 0.19 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.76 2kd1 h PHE 16 Cb -0.06 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.46 2kd1 h PHE 16 CO -0.03 0.29 0.50 -0.91 -2.23 0.00 0.00 178.31 175.92 2kd1 h ASN 17 N 0.53 0.80 -0.44 0.41 2.35 -1.24 -0.88 115.58 117.11 2kd1 h ASN 17 Ca 0.17 0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.80 2kd1 h ASN 17 Cb 0.00 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 2kd1 h ASN 17 CO -0.08 0.52 -0.26 0.74 -1.65 0.00 0.00 177.43 176.71 2kd1 h THR 18 N 0.93 1.27 -0.16 2.81 2.02 -1.33 -3.33 112.91 115.13 2kd1 h THR 18 Ca 0.34 -1.42 -0.10 0.00 0.77 0.00 0.00 66.41 66.00 2kd1 h THR 18 Cb 0.11 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 2kd1 h THR 18 CO -0.15 0.48 -0.34 0.50 0.37 0.00 0.00 175.52 176.39 2kd1 h LYS 19 N 0.79 0.32 -0.76 6.66 1.63 0.48 -2.65 116.57 123.03 2kd1 h LYS 19 Ca 0.09 -0.13 0.20 0.00 -0.85 0.00 0.00 60.65 59.96 2kd1 h LYS 19 Cb 0.84 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.42 2kd1 h LYS 19 CO 0.07 0.62 0.53 0.00 -3.45 0.00 0.00 179.45 177.23 2kd1 h ARG 20 N 0.28 0.14 0.00 1.90 3.08 -1.33 0.42 114.38 118.87 2kd1 h ARG 20 Ca 0.03 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 2kd1 h ARG 20 Cb 0.73 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 2kd1 h ARG 20 CO 0.06 0.09 -0.67 0.45 -1.07 0.00 0.00 179.97 178.83 2kd1 h HIS 21 N 0.15 0.00 0.00 3.04 3.86 -1.68 -3.33 115.15 117.18 2kd1 h HIS 21 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 2kd1 h HIS 21 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 2kd1 h HIS 21 CO -0.00 0.51 -1.39 0.45 0.86 0.00 0.00 177.93 178.36 2kd1 n SER 22 N -3.16 0.47 -4.57 2.45 2.88 -0.06 -4.96 113.62 106.67 2kd1 n SER 22 Ca 0.00 -0.01 -0.29 0.00 -1.33 0.00 0.00 58.87 57.24 2kd1 n SER 22 Cb 0.75 1.16 -0.09 0.00 -0.75 0.00 0.00 64.21 65.28 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 -3.36 1.30 0.42 2.46 -7.23 -0.10 -5.11 120.40 108.78 2kd1 s VAL 23 Ca -0.02 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.90 2kd1 s VAL 23 Cb 0.13 -2.52 -0.08 0.00 0.56 0.00 0.00 36.38 34.47 2kd1 s VAL 23 CO 0.84 0.00 1.24 -0.83 -0.31 0.00 0.00 175.10 176.04 2kd1 s GLY 24 N -3.73 2.89 0.26 2.32 0.00 -1.26 -4.76 107.32 103.04 2kd1 s GLY 24 Ca 0.21 1.10 -0.03 0.00 0.00 0.00 0.00 44.72 46.01 2kd1 s GLY 24 CO 0.11 1.65 1.80 -2.22 0.00 0.00 0.00 173.10 174.43 2kd1 h ILE 25 N 2.29 1.24 -0.46 0.90 1.08 -1.97 0.24 117.51 120.84 2kd1 h ILE 25 Ca -0.49 -0.86 -0.08 0.00 -0.39 0.00 0.00 64.86 63.04 2kd1 h ILE 25 Cb 1.24 0.64 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 2kd1 h ILE 25 CO 0.62 0.32 -0.03 0.06 -0.69 0.00 0.00 178.15 178.44 2kd1 h GLN 26 N 0.87 0.77 -0.02 2.37 3.07 -1.97 -2.42 115.11 117.78 2kd1 h GLN 26 Ca 0.19 -0.22 -0.17 0.00 0.09 0.00 0.00 58.65 58.54 2kd1 h GLN 26 Cb 0.32 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 27.78 2kd1 h GLN 26 CO -0.00 0.80 -0.75 1.15 0.09 0.00 0.00 178.83 180.12 2kd1 h THR 27 N 0.72 1.46 -0.36 1.86 2.02 -1.77 -3.21 112.91 113.63 2kd1 h THR 27 Ca 0.14 -2.37 -0.09 0.00 0.77 0.00 0.00 66.41 64.85 2kd1 h THR 27 Cb 0.48 2.28 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 2kd1 h THR 27 CO 0.02 0.69 -0.13 0.00 0.37 0.00 0.00 175.52 176.47 2kd1 h ALA 28 N 1.11 0.49 -0.90 6.16 0.00 -0.35 -2.26 119.26 123.52 2kd1 h ALA 28 Ca -0.02 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 54.67 2kd1 h ALA 28 Cb 1.32 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 2kd1 h ALA 28 CO 0.11 0.39 0.58 -0.22 0.00 0.00 0.00 179.25 180.11 2kd1 h LYS 29 N 0.50 0.80 -0.38 0.00 3.11 -1.47 -0.82 116.57 118.31 2kd1 h LYS 29 Ca 0.08 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.79 2kd1 h LYS 29 Cb 0.66 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 2kd1 h LYS 29 CO 0.04 0.53 -0.09 0.28 -2.81 0.00 0.00 179.45 177.40 2kd1 h VAL 30 N 0.83 1.28 -0.64 2.00 2.07 -1.46 -0.96 116.25 119.36 2kd1 h VAL 30 Ca 0.43 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 2kd1 h VAL 30 Cb 0.52 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 2kd1 h VAL 30 CO -0.20 0.39 0.18 -0.07 0.02 0.00 0.00 177.57 177.89 2kd1 h LEU 31 N 0.54 0.96 -0.85 2.57 3.38 -0.75 -2.11 115.31 119.05 2kd1 h LEU 31 Ca 0.10 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 2kd1 h LEU 31 Cb 0.61 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 2kd1 h LEU 31 CO 0.04 0.93 -0.57 0.50 0.09 0.00 0.00 178.44 179.43 2kd1 h LYS 32 N 0.94 0.00 -0.30 1.13 3.64 -1.15 -0.39 116.57 120.44 2kd1 h LYS 32 Ca 0.21 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2kd1 h LYS 32 Cb 0.33 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2kd1 h LYS 32 CO -0.00 0.57 0.11 0.78 -2.27 0.00 0.00 179.45 178.64 2kd1 h GLY 33 N 1.73 0.46 0.89 5.01 0.00 -0.73 -1.36 103.07 109.06 2kd1 h GLY 33 Ca -0.01 -0.21 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 2kd1 h GLY 33 CO 0.07 0.20 -0.72 -0.97 0.00 0.00 0.00 176.54 175.13 2kd1 h TYR 34 N 0.43 0.72 0.75 5.60 0.05 -0.86 -3.26 116.97 120.39 2kd1 h TYR 34 Ca 0.11 -0.39 -0.03 0.00 0.05 0.00 0.00 58.73 58.46 2kd1 h TYR 34 Cb 0.11 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.77 2kd1 h TYR 34 CO 0.00 1.22 -0.43 -0.07 -1.05 0.00 0.00 178.16 177.83 2kd1 h LEU 35 N 0.01 -1.06 -0.68 3.88 3.38 -0.60 -0.57 115.31 119.68 2kd1 h LEU 35 Ca -0.09 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 2kd1 h LEU 35 Cb 1.42 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 42.45 2kd1 h LEU 35 CO 0.14 -0.68 -0.58 0.78 0.09 0.00 0.00 178.44 178.20 2kd1 h ASN 36 N -1.09 0.00 0.15 -0.43 -0.26 -1.46 0.58 115.58 113.07 2kd1 h ASN 36 Ca -0.10 0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 55.28 2kd1 h ASN 36 Cb 0.86 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.12 2kd1 h ASN 36 CO 0.13 0.58 -1.86 -1.28 -1.06 0.00 0.00 177.43 173.94 2kd1 h SER 37 N 0.00 0.51 0.00 5.81 0.87 -1.60 -3.38 113.55 115.76 2kd1 h SER 37 Ca -0.01 -0.94 -0.08 0.00 -1.23 0.00 0.00 61.79 59.53 2kd1 h SER 37 Cb 1.13 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.91 2kd1 h SER 37 CO 0.07 1.82 -1.13 0.54 -0.53 0.00 0.00 176.83 177.60 2kd1 n ARG 38 N -3.56 0.52 0.11 2.24 5.12 -0.23 -4.68 116.66 116.18 2kd1 n ARG 38 Ca -0.28 0.32 -0.23 0.00 -1.93 0.00 0.00 57.85 55.72 2kd1 n ARG 38 Cb 1.05 -1.52 -0.15 0.00 -1.16 0.00 0.00 32.46 30.67 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 1.31 -0.55 0.55 5.03 -1.13 -3.34 117.51 118.37 2kd1 h ILE 39 Ca -0.13 -2.63 0.01 0.00 -0.12 0.00 0.00 64.86 61.99 2kd1 h ILE 39 Cb 0.99 3.06 -0.03 0.00 -3.03 0.00 0.00 36.82 37.81 2kd1 h ILE 39 CO -0.08 0.78 0.36 0.40 -0.68 0.00 0.00 178.15 178.94 2kd1 h ILE 40 N -0.02 1.13 0.00 -0.67 5.03 -1.12 0.33 117.51 122.19 2kd1 h ILE 40 Ca -0.24 -0.25 0.00 0.00 -0.12 0.00 0.00 64.86 64.25 2kd1 h ILE 40 Cb 2.01 0.33 0.00 0.00 -3.03 0.00 0.00 36.82 36.13 2kd1 h ILE 40 CO 0.23 0.13 0.00 1.55 -0.68 0.00 0.00 178.15 179.38 2kd1 h PRO 41 N 0.73 0.00 0.00 2.37 0.13 -1.76 -2.54 132.00 130.93 2kd1 h PRO 41 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 2kd1 h PRO 41 Cb -0.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.06 2kd1 h PRO 41 CO -0.05 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.17 2kd1 n SER 42 N -2.95 0.00 -0.46 1.44 2.88 -0.53 -4.81 113.62 109.19 2kd1 n SER 42 Ca -0.01 0.03 0.11 0.00 -1.33 0.00 0.00 58.87 57.67 2kd1 n SER 42 Cb 0.18 -0.32 0.08 0.00 -0.75 0.00 0.00 64.21 63.40 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 -2.08 1.86 -0.00 2.46 4.77 0.11 -4.61 117.00 119.51 2kd1 n LEU 43 Ca 0.00 -0.67 -0.11 0.00 -0.03 0.00 0.00 56.01 55.20 2kd1 n LEU 43 Cb 0.00 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2kd1 n LEU 43 CO 0.00 0.35 0.89 1.23 -1.33 0.00 0.00 177.39 178.53 2kd1 h GLY 44 N 4.86 0.13 1.91 -0.72 0.00 -1.03 -2.63 103.07 105.59 2kd1 h GLY 44 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2kd1 h GLY 44 CO 0.00 0.05 -0.07 3.43 0.00 0.00 0.00 176.54 179.95 2kd1 h ASN 45 N 0.10 0.00 -3.70 0.19 -0.26 -1.82 -0.14 115.58 109.95 2kd1 h ASN 45 Ca 0.03 -0.02 -0.51 0.00 -0.56 0.00 0.00 56.30 55.25 2kd1 h ASN 45 Cb 0.02 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.29 2kd1 h ASN 45 CO -0.01 0.01 0.47 -0.63 -1.06 0.00 0.00 177.43 176.21 2kd1 s ILE 46 N -3.14 3.65 0.44 2.81 1.01 -0.99 -4.85 121.20 120.13 2kd1 s ILE 46 Ca 0.09 1.56 -0.24 0.00 0.00 0.00 0.00 60.65 62.06 2kd1 s ILE 46 Cb 0.10 -3.99 -0.08 0.00 0.01 0.00 0.00 42.46 38.50 2kd1 s ILE 46 CO 0.63 0.33 1.17 -0.54 0.00 0.00 0.00 174.94 176.53 2kd1 s LYS 47 N -1.01 3.84 0.28 2.79 -0.14 -1.26 -1.17 119.74 123.07 2kd1 s LYS 47 Ca 0.46 1.79 0.00 0.00 -1.36 0.00 0.00 55.97 56.87 2kd1 s LYS 47 Cb -0.31 -2.48 0.51 0.00 -1.68 0.00 0.00 37.83 33.88 2kd1 s LYS 47 CO 0.38 -0.49 1.84 1.25 -0.76 0.00 0.00 175.35 177.58 2kd1 h LEU 48 N 2.21 0.94 -1.76 3.17 5.85 -1.51 -0.70 115.31 123.50 2kd1 h LEU 48 Ca -0.49 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 2kd1 h LEU 48 Cb 1.24 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 2kd1 h LEU 48 CO 0.61 0.52 -0.16 0.00 -0.34 0.00 0.00 178.44 179.07 2kd1 h ALA 49 N 1.52 1.31 0.00 1.25 0.00 -1.81 -3.04 119.26 118.50 2kd1 h ALA 49 Ca 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2kd1 h ALA 49 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2kd1 h ALA 49 CO -0.25 0.20 -0.69 1.63 0.00 0.00 0.00 179.25 180.14 2kd1 n LYS 50 N -3.73 0.28 -1.63 0.00 4.76 -0.29 -4.83 118.16 112.72 2kd1 n LYS 50 Ca -0.02 0.07 -0.38 0.00 -2.87 0.00 0.00 58.31 55.11 2kd1 n LYS 50 Cb 0.27 -1.66 -0.03 0.00 -1.84 0.00 0.00 35.03 31.77 2kd1 n LYS 50 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kd1 s LEU 51 N -4.11 3.40 0.00 -0.35 1.02 -1.10 -4.91 118.68 112.62 2kd1 s LEU 51 Ca 0.06 1.16 0.02 0.00 0.02 0.00 0.00 54.13 55.40 2kd1 s LEU 51 Cb 0.14 -2.73 0.02 0.00 0.02 0.00 0.00 46.19 43.64 2kd1 s LEU 51 CO 0.73 -2.63 0.19 1.07 0.02 0.00 0.00 176.35 175.73 2kd1 n THR 52 N 7.86 0.00 0.24 5.49 5.66 -1.26 -4.78 114.28 127.49 2kd1 n THR 52 Ca 0.33 -2.34 0.11 0.00 -3.05 0.00 0.00 64.05 59.10 2kd1 n THR 52 Cb 0.53 0.26 0.60 0.00 -1.55 0.00 0.00 70.33 70.17 2kd1 n THR 52 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2kd1 h SER 53 N 0.98 0.00 -0.40 1.09 0.87 -1.92 -1.70 113.55 112.48 2kd1 h SER 53 Ca -0.40 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.08 2kd1 h SER 53 Cb 1.30 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.25 2kd1 h SER 53 CO 0.64 0.18 -0.08 0.25 -0.53 0.00 0.00 176.83 177.30 2kd1 h LEU 54 N 0.00 0.76 -1.25 2.23 5.85 -1.96 -1.83 115.31 119.10 2kd1 h LEU 54 Ca -0.00 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 2kd1 h LEU 54 Cb 0.50 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2kd1 h LEU 54 CO 0.02 0.94 -0.24 0.45 -0.34 0.00 0.00 178.44 179.27 2kd1 h HIS 55 N 0.57 0.22 -0.24 1.25 3.86 -1.70 -0.31 115.15 118.81 2kd1 h HIS 55 Ca 0.10 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 2kd1 h HIS 55 Cb 0.59 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 2kd1 h HIS 55 CO 0.05 0.44 -0.01 0.52 0.86 0.00 0.00 177.93 179.79 2kd1 h MET 56 N 0.19 0.42 -0.32 2.45 2.86 -1.24 -2.10 114.93 117.19 2kd1 h MET 56 Ca 0.03 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 2kd1 h MET 56 Cb 0.54 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2kd1 h MET 56 CO 0.04 0.61 0.14 0.37 1.06 0.00 0.00 176.91 179.12 2kd1 h GLN 57 N 0.19 0.47 -0.56 1.72 5.75 -0.96 -2.22 115.11 119.50 2kd1 h GLN 57 Ca 0.07 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2kd1 h GLN 57 Cb 0.42 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.87 2kd1 h GLN 57 CO 0.01 0.46 0.37 -0.91 -2.65 0.00 0.00 178.83 176.11 2kd1 h ASN 58 N 0.37 0.60 -0.04 -0.69 2.35 -1.07 -0.35 115.58 116.74 2kd1 h ASN 58 Ca 0.11 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2kd1 h ASN 58 Cb 0.16 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.38 2kd1 h ASN 58 CO -0.01 0.42 0.00 0.22 -1.65 0.00 0.00 177.43 176.41 2kd1 h TYR 59 N 0.70 0.08 0.00 1.19 3.20 -1.11 -2.89 116.97 118.14 2kd1 h TYR 59 Ca 0.22 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 2kd1 h TYR 59 Cb 0.01 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2kd1 h TYR 59 CO -0.00 0.34 -0.25 0.28 -1.64 0.00 0.00 178.16 176.89 2kd1 h VAL 60 N -0.21 1.12 -0.74 1.81 2.07 -0.78 -1.84 116.25 117.69 2kd1 h VAL 60 Ca 0.01 -0.86 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 2kd1 h VAL 60 Cb 0.31 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2kd1 h VAL 60 CO 0.00 0.24 0.24 0.78 0.02 0.00 0.00 177.57 178.86 2kd1 h ASN 61 N 0.00 1.07 -0.02 0.57 2.35 -1.03 -1.32 115.58 117.20 2kd1 h ASN 61 Ca -0.00 -0.19 -0.16 0.00 -0.55 0.00 0.00 56.30 55.40 2kd1 h ASN 61 Cb 0.45 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2kd1 h ASN 61 CO 0.03 0.98 -0.51 0.28 -1.65 0.00 0.00 177.43 176.56 2kd1 h SER 62 N 1.10 0.64 -0.68 5.81 0.02 -1.14 -1.02 113.55 118.28 2kd1 h SER 62 Ca 0.24 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.81 2kd1 h SER 62 Cb 0.29 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 2kd1 h SER 62 CO -0.01 1.04 0.22 -0.07 -1.14 0.00 0.00 176.83 176.87 2kd1 h LEU 63 N 0.46 0.98 -0.74 5.07 3.38 -1.11 -0.87 115.31 122.49 2kd1 h LEU 63 Ca 0.02 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 2kd1 h LEU 63 Cb 1.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2kd1 h LEU 63 CO 0.10 0.92 -0.39 -0.09 0.09 0.00 0.00 178.44 179.07 2kd1 h ARG 64 N 0.99 0.50 -0.27 1.13 2.43 -1.21 -1.58 114.38 116.37 2kd1 h ARG 64 Ca 0.22 -0.25 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 2kd1 h ARG 64 Cb 0.28 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2kd1 h ARG 64 CO -0.01 0.82 -0.22 0.22 -1.51 0.00 0.00 179.97 179.26 2kd1 h ASP 65 N 0.42 0.50 0.87 -3.80 3.58 -0.77 -2.38 116.42 114.84 2kd1 h ASP 65 Ca 0.04 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 2kd1 h ASP 65 Cb 0.87 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 2kd1 h ASP 65 CO 0.07 0.73 -0.39 -0.33 -2.88 0.00 0.00 179.24 176.44 2kd1 h GLU 66 N 0.45 0.00 -1.71 0.28 4.39 -0.98 -3.48 114.58 113.53 2kd1 h GLU 66 Ca 0.07 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 2kd1 h GLU 66 Cb 0.64 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.31 2kd1 h GLU 66 CO 0.05 0.39 -0.15 0.41 -1.16 0.00 0.00 179.01 178.55 2kd1 n GLY 67 N 0.29 0.47 3.77 -3.84 0.00 -0.78 -5.03 105.19 100.07 2kd1 n GLY 67 Ca -0.00 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.16 4.30 0.67 0.99 1.43 -0.67 -5.04 118.68 118.20 2kd1 s LEU 68 Ca 0.10 2.61 -0.08 0.00 -1.03 0.00 0.00 54.13 55.73 2kd1 s LEU 68 Cb -0.04 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.39 2kd1 s LEU 68 CO 0.12 -0.69 1.00 -1.59 0.23 0.00 0.00 176.35 175.42 2kd1 s LYS 69 N -2.07 2.61 0.30 1.70 -2.85 -1.26 -4.84 119.74 113.33 2kd1 s LYS 69 Ca 0.54 0.03 0.05 0.00 -1.00 0.00 0.00 55.97 55.58 2kd1 s LYS 69 Cb -0.37 -2.16 0.77 0.00 -2.06 0.00 0.00 37.83 34.00 2kd1 s LYS 69 CO 0.49 -1.01 1.67 0.07 0.10 0.00 0.00 175.35 176.67 2kd1 h ARG 70 N -0.48 0.30 -0.10 1.78 0.11 -1.97 -1.68 114.38 112.34 2kd1 h ARG 70 Ca -0.45 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.60 2kd1 h ARG 70 Cb 1.28 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 32.29 2kd1 h ARG 70 CO 0.62 0.20 0.01 0.78 0.10 0.00 0.00 179.97 181.68 2kd1 h GLY 71 N 0.31 0.19 0.93 0.08 0.00 -1.94 -1.14 103.07 101.51 2kd1 h GLY 71 Ca 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 2kd1 h GLY 71 CO -0.59 0.12 0.11 -0.84 0.00 0.00 0.00 176.54 175.34 2kd1 h THR 72 N -0.07 1.13 -0.20 4.70 2.02 -1.75 -2.00 112.91 116.73 2kd1 h THR 72 Ca 0.03 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 2kd1 h THR 72 Cb 0.31 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 2kd1 h THR 72 CO 0.00 0.12 0.11 0.40 0.37 0.00 0.00 175.52 176.52 2kd1 h ILE 73 N 0.23 1.12 -0.42 3.11 2.04 -1.38 -2.55 117.51 119.66 2kd1 h ILE 73 Ca 0.08 -0.33 0.04 0.00 1.00 0.00 0.00 64.86 65.65 2kd1 h ILE 73 Cb 0.09 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2kd1 h ILE 73 CO -0.01 0.11 0.18 -0.08 0.00 0.00 0.00 178.15 178.35 2kd1 h GLU 74 N 0.21 0.35 0.18 2.37 4.81 -1.06 -1.49 114.58 119.96 2kd1 h GLU 74 Ca 0.07 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2kd1 h GLU 74 Cb 0.09 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2kd1 h GLU 74 CO -0.01 0.23 -0.09 0.87 -0.73 0.00 0.00 179.01 179.29 2kd1 h LYS 75 N 0.37 -0.23 -0.04 1.92 1.57 -1.30 -1.91 116.57 116.94 2kd1 h LYS 75 Ca 0.19 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.89 2kd1 h LYS 75 Cb 0.13 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2kd1 h LYS 75 CO -0.16 -0.03 -0.42 -0.84 -0.57 0.00 0.00 179.45 177.42 2kd1 h ILE 76 N -0.40 1.31 -0.48 1.86 3.07 -1.30 -0.74 117.51 120.83 2kd1 h ILE 76 Ca -0.02 -1.50 -0.13 0.00 1.55 0.00 0.00 64.86 64.76 2kd1 h ILE 76 Cb 0.31 1.76 -0.01 0.00 -0.27 0.00 0.00 36.82 38.60 2kd1 h ILE 76 CO 0.04 0.43 -0.22 0.40 -1.05 0.00 0.00 178.15 177.75 2kd1 h ILE 77 N 0.07 1.27 0.00 0.16 1.08 -1.24 -2.51 117.51 116.34 2kd1 h ILE 77 Ca 0.00 -1.39 -0.08 0.00 -0.39 0.00 0.00 64.86 63.00 2kd1 h ILE 77 Cb 0.78 1.12 -0.01 0.00 -3.07 0.00 0.00 36.82 35.65 2kd1 h ILE 77 CO 0.06 0.48 -0.39 0.11 -0.69 0.00 0.00 178.15 177.72 2kd1 h LYS 78 N 0.86 0.00 -0.28 2.37 1.79 -0.49 0.17 116.57 120.99 2kd1 h LYS 78 Ca 0.11 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.53 2kd1 h LYS 78 Cb 0.80 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.45 2kd1 h LYS 78 CO 0.07 0.39 -0.02 0.28 -1.08 0.00 0.00 179.45 179.09 2kd1 h VAL 79 N 0.00 1.26 -0.31 0.50 2.07 -1.04 -1.02 116.25 117.71 2kd1 h VAL 79 Ca -0.00 -0.98 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 2kd1 h VAL 79 Cb 0.72 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2kd1 h VAL 79 CO 0.05 0.31 0.03 0.40 0.02 0.00 0.00 177.57 178.39 2kd1 h ILE 80 N 0.29 1.24 0.00 4.57 2.04 -1.24 -1.29 117.51 123.12 2kd1 h ILE 80 Ca 0.08 -0.86 -0.08 0.00 1.00 0.00 0.00 64.86 65.00 2kd1 h ILE 80 Cb 0.46 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2kd1 h ILE 80 CO 0.02 0.28 -0.38 -0.09 0.00 0.00 0.00 178.15 177.98 2kd1 h ARG 81 N 0.35 0.00 0.20 2.37 2.43 -0.96 -0.89 114.38 117.88 2kd1 h ARG 81 Ca 0.09 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.93 2kd1 h ARG 81 Cb 0.38 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2kd1 h ARG 81 CO 0.01 0.38 -1.59 -0.97 -1.51 0.00 0.00 179.97 176.29 2kd1 h ASN 82 N 0.00 0.65 -0.53 -3.80 -0.73 -1.16 -3.23 115.58 106.78 2kd1 h ASN 82 Ca -0.00 -0.83 -0.09 0.00 1.87 0.00 0.00 56.30 57.24 2kd1 h ASN 82 Cb 0.74 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 39.10 2kd1 h ASN 82 CO 0.05 1.68 -0.03 0.77 -0.37 0.00 0.00 177.43 179.52 2kd1 h SER 83 N 0.11 0.95 0.22 1.15 4.64 -0.91 -2.45 113.55 117.27 2kd1 h SER 83 Ca -0.28 -0.32 -0.04 0.00 -0.47 0.00 0.00 61.79 60.67 2kd1 h SER 83 Cb 2.11 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 63.93 2kd1 h SER 83 CO 0.21 1.05 -0.21 -0.07 -0.87 0.00 0.00 176.83 176.94 2kd1 h LEU 84 N 0.84 0.00 -0.81 5.97 3.38 -1.33 -1.97 115.31 121.39 2kd1 h LEU 84 Ca 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2kd1 h LEU 84 Cb 0.58 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2kd1 h LEU 84 CO 0.03 0.21 0.35 -0.33 0.09 0.00 0.00 178.44 178.79 2kd1 h GLU 85 N 0.00 1.19 0.00 1.13 4.39 -1.46 -1.72 114.58 118.11 2kd1 h GLU 85 Ca -0.00 -0.20 -0.08 0.00 0.34 0.00 0.00 59.36 59.42 2kd1 h GLU 85 Cb 0.37 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2kd1 h GLU 85 CO 0.03 0.94 -0.36 1.25 -1.16 0.00 0.00 179.01 179.71 2kd1 h HIS 86 N 1.17 0.00 -0.08 4.33 2.76 -1.09 -0.19 115.15 122.05 2kd1 h HIS 86 Ca 0.27 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.29 2kd1 h HIS 86 Cb 0.17 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 2kd1 h HIS 86 CO 0.02 0.36 -0.63 0.00 -1.30 0.00 0.00 177.93 176.38 2kd1 h ALA 87 N 1.64 0.77 -0.42 5.26 0.00 -1.06 0.07 119.26 125.51 2kd1 h ALA 87 Ca -0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 2kd1 h ALA 87 Cb 0.72 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2kd1 h ALA 87 CO 0.05 0.74 -0.19 0.82 0.00 0.00 0.00 179.25 180.67 2kd1 h ILE 88 N 0.23 1.27 -0.30 0.00 2.04 -0.71 0.15 117.51 120.18 2kd1 h ILE 88 Ca -0.01 -1.30 -0.11 0.00 1.00 0.00 0.00 64.86 64.44 2kd1 h ILE 88 Cb 1.16 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2kd1 h ILE 88 CO 0.10 0.44 -0.27 -0.78 0.00 0.00 0.00 178.15 177.65 2kd1 h ASP 89 N 0.72 0.62 0.62 1.72 3.58 -0.88 -2.34 116.42 120.46 2kd1 h ASP 89 Ca 0.11 -0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2kd1 h ASP 89 Cb 0.70 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.58 2kd1 h ASP 89 CO 0.05 0.87 -0.06 0.18 -2.88 0.00 0.00 179.24 177.40 2kd1 n LEU 90 N -4.10 0.16 -1.23 2.28 4.77 -0.00 -4.93 117.00 113.94 2kd1 n LEU 90 Ca -0.00 0.25 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 2kd1 n LEU 90 Cb 0.44 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2kd1 n LEU 90 CO 0.43 0.03 -0.15 -0.62 -1.33 0.00 0.00 177.39 175.76 2kd1 n GLU 91 N -1.27 -1.01 -0.11 3.23 1.02 -0.58 -4.90 120.64 117.02 2kd1 n GLU 91 Ca 0.12 0.88 -0.13 0.00 -0.02 0.00 0.00 57.16 58.01 2kd1 n GLU 91 Cb 0.28 -5.03 -0.03 0.00 -0.02 0.00 0.00 31.44 26.65 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 0.94 -9.20 -4.62 3.38 -1.01 -3.47 115.31 101.33 2kd1 h LEU 92 Ca -0.30 -0.47 -0.51 0.00 0.09 0.00 0.00 57.88 56.69 2kd1 h LEU 92 Cb 1.02 -0.26 -0.13 0.00 0.09 0.00 0.00 40.66 41.37 2kd1 h LEU 92 CO 0.41 1.22 -0.51 0.27 0.09 0.00 0.00 178.44 179.91 2kd1 s ILE 93 N -4.38 0.33 0.00 1.22 -4.36 -1.06 -4.95 121.20 108.00 2kd1 s ILE 93 Ca -0.11 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 2kd1 s ILE 93 Cb 0.10 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.41 2kd1 s ILE 93 CO 0.87 0.00 0.00 1.07 0.24 0.00 0.00 174.94 177.12 2kd1 n THR 94 N -0.78 0.00 -3.69 8.37 5.66 -1.26 -3.96 114.28 118.62 2kd1 n THR 94 Ca -0.00 -0.31 -0.10 0.00 -3.05 0.00 0.00 64.05 60.58 2kd1 n THR 94 Cb 0.64 0.93 -0.10 0.00 -1.55 0.00 0.00 70.33 70.24 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 -0.79 0.42 0.02 1.09 2.20 -1.26 -4.98 119.74 116.45 2kd1 s LYS 95 Ca 0.00 0.83 -0.19 0.00 -0.36 0.00 0.00 55.97 56.26 2kd1 s LYS 95 Cb 0.00 -0.01 -0.06 0.00 -1.51 0.00 0.00 37.83 36.25 2kd1 s LYS 95 CO 0.00 -0.16 0.54 0.54 -0.36 0.00 0.00 175.35 175.91 2kd1 s ASN 96 N 1.42 6.97 0.00 1.43 2.20 -1.26 -4.99 114.94 120.71 2kd1 s ASN 96 Ca -0.10 1.15 0.27 0.00 -0.94 0.00 0.00 52.86 53.24 2kd1 s ASN 96 Cb -0.08 -2.34 0.86 0.00 -2.00 0.00 0.00 41.25 37.70 2kd1 s ASN 96 CO -0.13 0.21 1.64 1.33 -2.94 0.00 0.00 177.10 177.21 2kd1 n VAL 97 N 2.17 0.00 1.27 3.54 0.24 -1.26 -3.56 118.33 120.73 2kd1 n VAL 97 Ca -0.10 -0.05 0.15 0.00 -2.04 0.00 0.00 64.34 62.30 2kd1 n VAL 97 Cb 0.51 0.08 0.71 0.00 -1.47 0.00 0.00 33.84 33.67 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 -1.16 2.43 0.22 2.33 0.00 -1.26 -2.22 120.51 120.85 2kd1 n ALA 98 Ca 0.10 -0.13 0.10 0.00 0.00 0.00 0.00 53.44 53.50 2kd1 n ALA 98 Cb 0.32 -1.48 0.42 0.00 0.00 0.00 0.00 19.45 18.71 2kd1 n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kd1 h ALA 99 N 3.27 0.99 0.00 0.00 0.00 -1.93 -2.71 119.26 118.87 2kd1 h ALA 99 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2kd1 h ALA 99 Cb 0.37 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2kd1 h ALA 99 CO 0.00 0.29 -0.32 0.87 0.00 0.00 0.00 179.25 180.09 2kd1 h LYS 100 N 0.00 0.00 -5.21 0.00 1.79 -1.69 -3.41 116.57 108.05 2kd1 h LYS 100 Ca -0.00 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.81 2kd1 h LYS 100 Cb 0.81 0.00 -0.16 0.00 -1.58 0.00 0.00 32.23 31.29 2kd1 h LYS 100 CO 0.03 0.25 0.62 0.99 -1.08 0.00 0.00 179.45 180.25 2kd1 s THR 101 N -3.09 4.53 0.35 -0.16 2.01 -1.02 -5.03 115.64 113.22 2kd1 s THR 101 Ca 0.05 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.18 2kd1 s THR 101 Cb 0.06 -4.70 -0.02 0.00 0.01 0.00 0.00 72.50 67.85 2kd1 s THR 101 CO 0.71 -1.45 0.53 -1.59 -0.69 0.00 0.00 174.62 172.13 2kd1 s LYS 102 N 3.40 3.31 -0.02 4.92 -2.85 -1.26 -4.93 119.74 122.31 2kd1 s LYS 102 Ca 0.25 -0.57 -0.30 0.00 -1.00 0.00 0.00 55.97 54.35 2kd1 s LYS 102 Cb -0.13 -2.71 -0.05 0.00 -2.06 0.00 0.00 37.83 32.88 2kd1 s LYS 102 CO 0.02 0.09 1.45 -1.17 0.10 0.00 0.00 175.35 175.84 2kd1 s LEU 103 N -4.28 4.31 1.19 2.77 2.96 -1.26 -5.03 118.68 119.33 2kd1 s LEU 103 Ca 0.42 2.12 -0.16 0.00 -0.22 0.00 0.00 54.13 56.29 2kd1 s LEU 103 Cb -0.10 -3.55 0.23 0.00 0.50 0.00 0.00 46.19 43.27 2kd1 s LEU 103 CO 0.34 -0.77 0.58 -2.65 -1.32 0.00 0.00 176.35 172.53 2kd1 n PRO 104 N 5.83 -2.42 -1.86 0.98 -0.02 -1.26 -4.85 135.00 131.40 2kd1 n PRO 104 Ca 0.14 -0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 60.54 2kd1 n PRO 104 Cb 0.43 -1.94 -0.03 0.00 -0.02 0.00 0.00 33.50 31.94 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 -3.85 2.23 0.00 -0.52 2.85 -1.26 -3.64 118.16 113.98 2kd1 n LYS 105 Ca 0.02 -2.52 0.00 0.00 -1.05 0.00 0.00 58.31 54.76 2kd1 n LYS 105 Cb 0.57 -3.35 0.00 0.00 -0.65 0.00 0.00 35.03 31.60 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 9.20 0.11 -0.96 0.58 0.00 -1.26 -4.96 120.51 123.22 2kd1 n ALA 106 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2kd1 n ALA 106 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 2kd1 n ALA 106 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kd1 n ASP 107 N -0.03 0.00 -4.39 0.00 2.03 -1.24 -4.63 116.55 108.29 2kd1 n ASP 107 Ca 0.00 0.01 -0.23 0.00 0.52 0.00 0.00 54.79 55.09 2kd1 n ASP 107 Cb 0.10 -0.02 -0.11 0.00 -0.72 0.00 0.00 41.12 40.37 2kd1 n ASP 107 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2kd1 s LYS 108 N -0.04 1.43 -1.19 -0.67 1.02 -1.26 -5.07 119.74 113.97 2kd1 s LYS 108 Ca 0.00 -1.54 -0.20 0.00 0.02 0.00 0.00 55.97 54.24 2kd1 s LYS 108 Cb 0.00 -1.52 0.03 0.00 -0.52 0.00 0.00 37.83 35.81 2kd1 s LYS 108 CO 0.00 0.30 1.73 -1.21 -0.92 0.00 0.00 175.35 175.26 2kd1 s GLU 109 N -3.04 3.50 -0.26 1.68 2.02 -1.26 -4.82 118.70 116.52 2kd1 s GLU 109 Ca 0.21 -1.52 0.09 0.00 0.02 0.00 0.00 54.97 53.77 2kd1 s GLU 109 Cb -0.05 -5.41 0.65 0.00 0.10 0.00 0.00 34.13 29.42 2kd1 s GLU 109 CO 0.09 -2.68 1.63 0.39 0.02 0.00 0.00 175.26 174.71 2kd1 n GLU 110 N 8.51 3.53 -3.39 1.61 1.02 -1.26 -4.91 120.64 125.75 2kd1 n GLU 110 Ca 0.44 -2.62 -0.24 0.00 -0.02 0.00 0.00 57.16 54.72 2kd1 n GLU 110 Cb 0.47 -2.10 0.04 0.00 -0.02 0.00 0.00 31.44 29.83 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 0.04 -2.67 -3.67 -4.62 4.77 -1.26 -4.88 117.00 104.70 2kd1 n LEU 111 Ca 0.33 -0.46 -0.42 0.00 -0.03 0.00 0.00 56.01 55.43 2kd1 n LEU 111 Cb 1.20 -2.79 -0.01 0.00 -2.33 0.00 0.00 43.42 39.50 2kd1 n LEU 111 CO 0.36 0.38 2.67 -0.62 -1.33 0.00 0.00 177.39 178.84 2kd1 n GLU 112 N -4.37 2.74 0.00 3.23 1.02 -1.26 -4.67 120.64 117.33 2kd1 n GLU 112 Ca -0.04 -2.45 0.14 0.00 -0.02 0.00 0.00 57.16 54.79 2kd1 n GLU 112 Cb 0.57 -3.19 0.64 0.00 -0.02 0.00 0.00 31.44 29.45 2kd1 n GLU 112 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kd1 n HIS 113 N 6.04 0.00 -2.34 -0.32 -0.00 -1.26 -4.82 115.22 112.51 2kd1 n HIS 113 Ca 0.54 0.00 -0.43 0.00 0.46 0.00 0.00 57.72 58.29 2kd1 n HIS 113 Cb 0.37 -0.10 -0.02 0.00 -0.12 0.00 0.00 29.99 30.13 2kd1 n HIS 113 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kd1 s HIS 114 N -2.26 2.54 -0.33 1.57 3.76 -1.26 -4.92 115.29 114.40 2kd1 s HIS 114 Ca 0.35 0.79 -0.06 0.00 -0.15 0.00 0.00 55.06 55.99 2kd1 s HIS 114 Cb 0.21 -3.92 -0.18 0.00 1.11 0.00 0.00 32.58 29.80 2kd1 s HIS 114 CO 0.42 -2.02 3.37 -2.39 -0.85 0.00 0.00 174.74 173.27 2kd1 n HIS 115 N 7.81 0.65 -1.84 1.40 1.44 -1.26 -2.64 115.22 120.79 2kd1 n HIS 115 Ca 0.16 -1.82 0.00 0.00 -2.01 0.00 0.00 57.72 54.05 2kd1 n HIS 115 Cb 0.46 -1.69 0.00 0.00 0.12 0.00 0.00 29.99 28.88 2kd1 n HIS 115 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2kd1 n HIS 116 N 2.35 0.00 -1.80 -1.40 -0.00 -1.26 -5.10 115.22 108.01 2kd1 n HIS 116 Ca 0.49 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.96 2kd1 n HIS 116 Cb 0.75 0.18 -0.05 0.00 -0.00 0.00 0.00 29.99 30.86 2kd1 n HIS 116 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kd1 s HIS 117 N 0.00 1.44 -2.00 -1.40 5.04 -1.08 -5.26 115.29 112.02 2kd1 s HIS 117 Ca 0.00 1.28 0.32 0.00 -1.54 0.00 0.00 55.06 55.12 2kd1 s HIS 117 Cb 0.00 -3.76 1.90 0.00 0.04 0.00 0.00 32.58 30.76 2kd1 s HIS 117 CO 0.00 -1.89 2.22 -2.39 -2.34 0.00 0.00 174.74 170.35