#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kd1 s GLU 2 N 0.00 3.77 0.22 3.17 8.01 -0.93 -5.03 118.70 127.91 2kd1 s GLU 2 Ca 0.00 -0.39 -0.32 0.00 0.01 0.00 0.00 54.97 54.28 2kd1 s GLU 2 Cb 0.00 -3.09 -0.14 0.00 -4.31 0.00 0.00 34.13 26.59 2kd1 s GLU 2 CO 0.00 0.34 1.41 -2.30 0.01 0.00 0.00 175.26 174.71 2kd1 n PRO 3 N 3.31 1.96 -2.10 0.39 -0.02 -1.26 -4.41 135.00 132.86 2kd1 n PRO 3 Ca -0.17 0.70 -0.29 0.00 -2.02 0.00 0.00 63.50 61.72 2kd1 n PRO 3 Cb 0.53 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.60 2kd1 n PRO 3 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2kd1 s SER 4 N 0.35 5.23 -1.52 2.55 1.04 -1.26 -4.82 113.70 115.27 2kd1 s SER 4 Ca 0.70 -1.20 -0.11 0.00 0.48 0.00 0.00 55.95 55.82 2kd1 s SER 4 Cb -0.68 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 62.82 2kd1 s SER 4 CO 0.48 -2.76 2.67 0.29 0.98 0.00 0.00 173.24 174.90 2kd1 n LYS 5 N 8.60 3.30 0.00 4.02 4.76 -1.26 -4.64 118.16 132.95 2kd1 n LYS 5 Ca 0.42 -2.28 0.00 0.00 -2.87 0.00 0.00 58.31 53.58 2kd1 n LYS 5 Cb 0.47 -2.94 0.00 0.00 -1.84 0.00 0.00 35.03 30.72 2kd1 n LYS 5 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2kd1 n LEU 6 N 4.51 0.00 -4.82 -0.35 7.94 -1.26 -5.14 117.00 117.88 2kd1 n LEU 6 Ca 0.68 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 55.24 2kd1 n LEU 6 Cb 0.28 0.00 -0.07 0.00 0.53 0.00 0.00 43.42 44.16 2kd1 n LEU 6 CO 0.87 0.00 0.60 -0.94 -1.11 0.00 0.00 177.39 176.80 2kd1 s SER 7 N 0.00 6.98 0.57 1.96 1.04 -1.26 -2.45 113.70 120.53 2kd1 s SER 7 Ca 0.00 1.62 0.29 0.00 0.48 0.00 0.00 55.95 58.34 2kd1 s SER 7 Cb 0.00 -2.51 1.69 0.00 0.10 0.00 0.00 66.02 65.30 2kd1 s SER 7 CO 0.00 -0.27 2.19 0.22 0.98 0.00 0.00 173.24 176.36 2kd1 h TYR 8 N 2.24 0.00 -0.40 5.02 3.20 -0.62 -1.36 116.97 125.06 2kd1 h TYR 8 Ca -0.48 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.30 2kd1 h TYR 8 Cb 1.18 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 2kd1 h TYR 8 CO 0.62 0.04 -0.07 0.78 -1.64 0.00 0.00 178.16 177.89 2kd1 h GLY 9 N 0.31 0.82 1.98 1.82 0.00 -1.27 -0.37 103.07 106.36 2kd1 h GLY 9 Ca -0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 47.33 46.55 2kd1 h GLY 9 CO 0.01 0.60 -0.60 0.83 0.00 0.00 0.00 176.54 177.37 2kd1 h GLU 10 N 0.57 0.02 -0.36 4.80 4.39 -1.59 -2.39 114.58 120.02 2kd1 h GLU 10 Ca 0.10 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.73 2kd1 h GLU 10 Cb 0.58 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 2kd1 h GLU 10 CO 0.03 0.61 -0.01 -0.92 -1.16 0.00 0.00 179.01 177.57 2kd1 h TYR 11 N 0.01 0.71 -0.43 4.33 3.20 -1.04 -2.28 116.97 121.47 2kd1 h TYR 11 Ca -0.01 -0.13 -0.07 0.00 3.14 0.00 0.00 58.73 61.67 2kd1 h TYR 11 Cb 1.07 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2kd1 h TYR 11 CO 0.00 0.75 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.19 2kd1 h LEU 12 N 0.46 0.67 -0.01 2.82 3.38 -0.94 0.18 115.31 121.87 2kd1 h LEU 12 Ca 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2kd1 h LEU 12 Cb 0.47 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kd1 h LEU 12 CO 0.02 0.75 0.00 -0.33 0.09 0.00 0.00 178.44 178.97 2kd1 h GLU 13 N 0.66 0.01 -0.38 1.13 4.39 -1.38 0.14 114.58 119.15 2kd1 h GLU 13 Ca 0.13 -0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.68 2kd1 h GLU 13 Cb 0.42 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2kd1 h GLU 13 CO 0.02 0.22 -0.35 1.03 -1.16 0.00 0.00 179.01 178.77 2kd1 h SER 14 N -0.20 0.97 -0.42 1.42 0.87 -1.27 -2.44 113.55 112.48 2kd1 h SER 14 Ca 0.00 -0.46 -0.04 0.00 -1.23 0.00 0.00 61.79 60.07 2kd1 h SER 14 Cb 0.21 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2kd1 h SER 14 CO -0.00 1.23 0.14 -0.25 -0.53 0.00 0.00 176.83 177.42 2kd1 h TRP 15 N 0.73 0.73 -0.66 2.24 7.01 -1.01 -2.91 115.95 122.08 2kd1 h TRP 15 Ca 0.06 -0.05 -0.08 0.00 2.11 0.00 0.00 58.89 60.93 2kd1 h TRP 15 Cb 0.94 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.76 2kd1 h TRP 15 CO 0.06 0.61 0.10 0.35 -2.79 0.00 0.00 178.44 176.77 2kd1 h PHE 16 N 0.70 1.16 -0.87 2.65 3.57 -0.61 -0.19 116.94 123.36 2kd1 h PHE 16 Ca 0.16 -0.16 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2kd1 h PHE 16 Cb 0.23 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 2kd1 h PHE 16 CO 0.01 0.98 0.52 -0.91 -2.23 0.00 0.00 178.31 176.68 2kd1 h ASN 17 N 1.02 0.77 -0.45 0.41 2.35 -1.24 -1.12 115.58 117.32 2kd1 h ASN 17 Ca 0.20 0.04 -0.14 0.00 -0.55 0.00 0.00 56.30 55.85 2kd1 h ASN 17 Cb 0.45 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2kd1 h ASN 17 CO 0.01 0.45 -0.25 0.74 -1.65 0.00 0.00 177.43 176.74 2kd1 h THR 18 N 0.89 1.27 -0.16 2.81 2.02 -1.46 -3.31 112.91 114.96 2kd1 h THR 18 Ca 0.41 -1.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.10 2kd1 h THR 18 Cb 0.32 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2kd1 h THR 18 CO -0.23 0.49 -0.23 0.50 0.37 0.00 0.00 175.52 176.42 2kd1 h LYS 19 N 0.83 0.29 -0.23 6.66 1.63 0.16 -2.15 116.57 123.77 2kd1 h LYS 19 Ca 0.10 -0.09 0.07 0.00 -0.85 0.00 0.00 60.65 59.87 2kd1 h LYS 19 Cb 0.83 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 2kd1 h LYS 19 CO 0.07 0.51 0.26 0.00 -3.45 0.00 0.00 179.45 176.85 2kd1 h ARG 20 N 0.26 0.00 0.00 1.90 3.08 -1.40 -0.33 114.38 117.89 2kd1 h ARG 20 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2kd1 h ARG 20 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2kd1 h ARG 20 CO 0.04 0.00 -0.27 0.45 -1.07 0.00 0.00 179.97 179.12 2kd1 h HIS 21 N 0.00 0.00 0.06 3.04 3.86 -1.58 -3.33 115.15 117.20 2kd1 h HIS 21 Ca 0.11 0.00 -0.36 0.00 -1.16 0.00 0.00 60.37 58.95 2kd1 h HIS 21 Cb 0.63 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.06 2kd1 h HIS 21 CO 0.00 0.00 -2.15 0.43 0.86 0.00 0.00 177.93 177.07 2kd1 n SER 22 N -2.85 1.73 -4.74 2.45 7.64 -0.36 -5.00 113.62 112.48 2kd1 n SER 22 Ca 0.03 0.11 -0.24 0.00 1.01 0.00 0.00 58.87 59.78 2kd1 n SER 22 Cb 0.52 -0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 63.20 2kd1 n SER 22 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2kd1 s VAL 23 N -2.55 4.07 1.05 0.44 -7.23 -0.28 -5.14 120.40 110.77 2kd1 s VAL 23 Ca -0.23 -1.44 -0.16 0.00 -1.81 0.00 0.00 61.98 58.34 2kd1 s VAL 23 Cb 0.07 -3.13 0.22 0.00 0.56 0.00 0.00 36.38 34.10 2kd1 s VAL 23 CO 0.73 -0.24 1.15 -0.83 -0.31 0.00 0.00 175.10 175.60 2kd1 s GLY 24 N -3.43 1.61 0.20 2.32 0.00 -1.26 -4.65 107.32 102.12 2kd1 s GLY 24 Ca 0.31 -0.80 -0.11 0.00 0.00 0.00 0.00 44.72 44.12 2kd1 s GLY 24 CO 0.22 -0.06 1.83 -2.22 0.00 0.00 0.00 173.10 172.87 2kd1 h ILE 25 N -2.01 1.06 -0.08 0.90 1.08 -2.00 -1.06 117.51 115.40 2kd1 h ILE 25 Ca -0.48 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 63.72 2kd1 h ILE 25 Cb 1.30 0.23 -0.00 0.00 -3.07 0.00 0.00 36.82 35.27 2kd1 h ILE 25 CO 0.46 0.14 0.01 0.06 -0.69 0.00 0.00 178.15 178.13 2kd1 h GLN 26 N 0.77 0.14 -0.23 2.37 3.07 -2.00 -2.61 115.11 116.61 2kd1 h GLN 26 Ca 0.27 -0.04 -0.06 0.00 0.09 0.00 0.00 58.65 58.90 2kd1 h GLN 26 Cb 0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.58 2kd1 h GLN 26 CO -0.12 0.38 -0.13 1.15 0.09 0.00 0.00 178.83 180.20 2kd1 h THR 27 N -0.12 1.21 0.18 1.86 2.02 -1.89 -1.61 112.91 114.56 2kd1 h THR 27 Ca 0.02 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 2kd1 h THR 27 Cb 0.31 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2kd1 h THR 27 CO 0.00 0.30 -0.10 0.00 0.37 0.00 0.00 175.52 176.10 2kd1 h ALA 28 N 1.51 -0.25 -0.35 6.16 0.00 -1.10 -0.80 119.26 124.43 2kd1 h ALA 28 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2kd1 h ALA 28 Cb 0.45 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2kd1 h ALA 28 CO 0.03 -0.64 0.16 -0.22 0.00 0.00 0.00 179.25 178.57 2kd1 h LYS 29 N -0.26 0.48 0.19 0.00 3.11 -1.05 -2.09 116.57 116.96 2kd1 h LYS 29 Ca -0.02 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.76 2kd1 h LYS 29 Cb 0.21 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.34 2kd1 h LYS 29 CO 0.03 0.39 -0.09 0.28 -2.81 0.00 0.00 179.45 177.25 2kd1 h VAL 30 N 0.49 0.91 -0.34 2.00 2.07 -0.97 -2.51 116.25 117.89 2kd1 h VAL 30 Ca 0.12 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2kd1 h VAL 30 Cb 0.07 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2kd1 h VAL 30 CO -0.02 0.15 0.17 -0.07 0.02 0.00 0.00 177.57 177.83 2kd1 h LEU 31 N -0.61 0.44 -0.98 2.57 3.38 -0.91 -2.43 115.31 116.78 2kd1 h LEU 31 Ca -0.03 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2kd1 h LEU 31 Cb 0.45 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2kd1 h LEU 31 CO 0.04 0.43 -0.12 0.50 0.09 0.00 0.00 178.44 179.39 2kd1 h LYS 32 N 0.42 0.60 -0.93 1.13 3.64 -1.49 -0.61 116.57 119.33 2kd1 h LYS 32 Ca 0.12 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2kd1 h LYS 32 Cb 0.10 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 2kd1 h LYS 32 CO -0.02 0.71 0.59 0.78 -2.27 0.00 0.00 179.45 179.25 2kd1 h GLY 33 N 0.96 1.32 1.22 5.01 0.00 -1.09 -1.74 103.07 108.76 2kd1 h GLY 33 Ca 0.10 -0.51 -0.23 0.00 0.00 0.00 0.00 47.33 46.69 2kd1 h GLY 33 CO 0.03 0.50 -0.82 -0.97 0.00 0.00 0.00 176.54 175.28 2kd1 h TYR 34 N 1.27 1.03 0.84 5.60 0.05 -0.97 -3.03 116.97 121.76 2kd1 h TYR 34 Ca 0.34 -0.47 -0.04 0.00 0.05 0.00 0.00 58.73 58.60 2kd1 h TYR 34 Cb -0.11 -0.15 0.01 0.00 1.01 0.00 0.00 36.73 37.48 2kd1 h TYR 34 CO 0.00 1.30 -0.41 -0.07 -1.05 0.00 0.00 178.16 177.94 2kd1 h LEU 35 N 0.50 -0.96 -0.91 3.88 3.38 -0.78 -1.33 115.31 119.09 2kd1 h LEU 35 Ca -0.06 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2kd1 h LEU 35 Cb 1.45 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.43 2kd1 h LEU 35 CO 0.17 -0.65 -0.52 0.78 0.09 0.00 0.00 178.44 178.30 2kd1 h ASN 36 N -1.19 0.00 0.02 -0.43 2.35 -1.48 -0.02 115.58 114.83 2kd1 h ASN 36 Ca -0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 2kd1 h ASN 36 Cb 0.88 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.25 2kd1 h ASN 36 CO 0.19 0.52 -0.01 -1.28 -1.65 0.00 0.00 177.43 175.20 2kd1 h SER 37 N 0.00 -0.02 0.00 5.81 0.87 -1.54 -3.39 113.55 115.28 2kd1 h SER 37 Ca -0.01 -0.70 -0.12 0.00 -1.23 0.00 0.00 61.79 59.74 2kd1 h SER 37 Cb 0.96 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.91 2kd1 h SER 37 CO 0.07 0.71 -1.31 0.54 -0.53 0.00 0.00 176.83 176.30 2kd1 n ARG 38 N -4.75 0.54 -0.00 2.24 5.12 -0.50 -4.63 116.66 114.67 2kd1 n ARG 38 Ca -0.09 0.27 -0.17 0.00 -1.93 0.00 0.00 57.85 55.93 2kd1 n ARG 38 Cb 0.35 -1.49 -0.13 0.00 -1.16 0.00 0.00 32.46 30.04 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 1.57 -0.27 0.55 5.03 -1.20 -3.24 117.51 118.95 2kd1 h ILE 39 Ca -0.18 -2.24 0.06 0.00 -0.12 0.00 0.00 64.86 62.38 2kd1 h ILE 39 Cb 1.10 3.01 -0.06 0.00 -3.03 0.00 0.00 36.82 37.84 2kd1 h ILE 39 CO -0.11 0.62 -0.11 0.40 -0.68 0.00 0.00 178.15 178.28 2kd1 h ILE 40 N -0.49 0.64 0.00 -0.67 5.03 -1.26 0.41 117.51 121.17 2kd1 h ILE 40 Ca -0.07 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.67 2kd1 h ILE 40 Cb 1.26 0.64 0.00 0.00 -3.03 0.00 0.00 36.82 35.70 2kd1 h ILE 40 CO 0.08 0.00 0.00 -0.65 -0.68 0.00 0.00 178.15 176.90 2kd1 h PRO 41 N -0.06 0.00 0.00 2.37 0.11 -1.76 -2.28 132.00 130.38 2kd1 h PRO 41 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2kd1 h PRO 41 Cb 0.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.38 2kd1 h PRO 41 CO -0.31 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.91 2kd1 n SER 42 N -2.95 0.00 0.00 -2.05 7.64 -0.60 -4.82 113.62 110.85 2kd1 n SER 42 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 2kd1 n SER 42 Cb 0.26 -0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 63.05 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 -2.22 0.69 -0.01 -3.43 4.77 0.12 -4.48 117.00 112.45 2kd1 n LEU 43 Ca 0.00 -0.25 -0.17 0.00 -0.03 0.00 0.00 56.01 55.55 2kd1 n LEU 43 Cb 0.00 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 40.95 2kd1 n LEU 43 CO 0.00 0.15 0.28 1.23 -1.33 0.00 0.00 177.39 177.71 2kd1 h GLY 44 N 4.72 0.63 2.00 -0.72 0.00 -0.55 -3.02 103.07 106.13 2kd1 h GLY 44 Ca 0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 47.33 46.35 2kd1 h GLY 44 CO 0.00 0.86 -0.09 3.43 0.00 0.00 0.00 176.54 180.73 2kd1 h ASN 45 N 0.17 0.00 -3.81 0.19 2.35 -1.64 -0.04 115.58 112.80 2kd1 h ASN 45 Ca -0.06 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.18 2kd1 h ASN 45 Cb 1.32 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.71 2kd1 h ASN 45 CO 0.13 0.09 0.49 -0.63 -1.65 0.00 0.00 177.43 175.87 2kd1 s ILE 46 N -4.22 3.42 0.39 2.81 1.01 -1.14 -4.83 121.20 118.64 2kd1 s ILE 46 Ca -0.03 1.43 -0.27 0.00 0.00 0.00 0.00 60.65 61.78 2kd1 s ILE 46 Cb 0.13 -3.91 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 2kd1 s ILE 46 CO 0.57 0.34 1.33 -0.54 0.00 0.00 0.00 174.94 176.64 2kd1 s LYS 47 N -1.44 4.04 0.29 2.79 -0.14 -1.26 -1.26 119.74 122.76 2kd1 s LYS 47 Ca 0.45 2.24 0.04 0.00 -1.36 0.00 0.00 55.97 57.34 2kd1 s LYS 47 Cb -0.33 -2.84 0.67 0.00 -1.68 0.00 0.00 37.83 33.65 2kd1 s LYS 47 CO 0.42 -0.46 1.78 1.25 -0.76 0.00 0.00 175.35 177.58 2kd1 h LEU 48 N 2.84 0.74 -0.47 3.17 5.85 -1.74 -0.53 115.31 125.16 2kd1 h LEU 48 Ca -0.50 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.19 2kd1 h LEU 48 Cb 1.24 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 2kd1 h LEU 48 CO 0.63 0.28 -0.58 0.00 -0.34 0.00 0.00 178.44 178.43 2kd1 h ALA 49 N 1.62 0.77 0.00 1.25 0.00 -1.86 -3.13 119.26 117.91 2kd1 h ALA 49 Ca 0.54 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kd1 h ALA 49 Cb 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kd1 h ALA 49 CO -0.37 0.73 0.00 1.63 0.00 0.00 0.00 179.25 181.24 2kd1 n LYS 50 N -3.47 0.31 -1.71 0.00 4.76 -0.21 -4.69 118.16 113.15 2kd1 n LYS 50 Ca 0.00 0.04 -0.37 0.00 -2.87 0.00 0.00 58.31 55.12 2kd1 n LYS 50 Cb 0.68 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.34 2kd1 n LYS 50 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kd1 s LEU 51 N -2.65 3.37 0.47 -0.35 1.02 -1.18 -4.97 118.68 114.39 2kd1 s LEU 51 Ca 0.23 0.84 0.03 0.00 0.02 0.00 0.00 54.13 55.24 2kd1 s LEU 51 Cb 0.18 -2.51 0.01 0.00 0.02 0.00 0.00 46.19 43.89 2kd1 s LEU 51 CO 0.41 -2.73 0.66 0.28 0.02 0.00 0.00 176.35 174.99 2kd1 s THR 52 N 11.26 3.26 0.36 5.49 -1.32 -1.26 -4.83 115.64 128.60 2kd1 s THR 52 Ca 0.88 -0.74 0.21 0.00 -1.21 0.00 0.00 61.69 60.83 2kd1 s THR 52 Cb -0.16 -3.17 0.21 0.00 -1.51 0.00 0.00 72.50 67.87 2kd1 s THR 52 CO 0.24 -0.10 1.94 -1.28 -2.21 0.00 0.00 174.62 173.21 2kd1 h SER 53 N 0.39 0.00 -0.76 8.08 0.87 -1.94 -2.10 113.55 118.09 2kd1 h SER 53 Ca -0.43 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.11 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 0.52 0.23 0.39 0.25 -0.53 0.00 0.00 176.83 177.69 2kd1 h LEU 54 N 0.00 0.98 -0.75 2.23 5.85 -1.95 -1.04 115.31 120.63 2kd1 h LEU 54 Ca -0.00 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2kd1 h LEU 54 Cb 0.51 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2kd1 h LEU 54 CO 0.03 0.81 0.18 0.45 -0.34 0.00 0.00 178.44 179.57 2kd1 h HIS 55 N 1.09 1.18 -0.33 1.25 3.86 -1.77 -1.44 115.15 118.99 2kd1 h HIS 55 Ca 0.27 -0.13 -0.15 0.00 -1.16 0.00 0.00 60.37 59.20 2kd1 h HIS 55 Cb 0.07 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 2kd1 h HIS 55 CO 0.01 0.95 -0.38 0.52 0.86 0.00 0.00 177.93 179.89 2kd1 h MET 56 N 1.08 0.79 0.08 2.45 2.86 -1.40 -1.37 114.93 119.42 2kd1 h MET 56 Ca 0.23 -0.40 -0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2kd1 h MET 56 Cb 0.36 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2kd1 h MET 56 CO 0.00 1.03 -0.04 0.37 1.06 0.00 0.00 176.91 179.34 2kd1 h GLN 57 N 0.65 -0.10 -0.04 1.72 5.75 -1.01 -1.74 115.11 120.35 2kd1 h GLN 57 Ca 0.06 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.49 2kd1 h GLN 57 Cb 0.94 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.50 2kd1 h GLN 57 CO 0.09 0.09 -0.30 -0.91 -2.65 0.00 0.00 178.83 175.15 2kd1 h ASN 58 N -0.28 0.07 0.03 -0.69 2.35 -1.27 -1.46 115.58 114.34 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 0.24 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2kd1 h ASN 58 CO 0.02 0.37 -0.02 0.22 -1.65 0.00 0.00 177.43 176.37 2kd1 h TYR 59 N 0.06 -0.04 -0.49 1.19 3.20 -1.13 -1.62 116.97 118.15 2kd1 h TYR 59 Ca 0.01 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 2kd1 h TYR 59 Cb 0.57 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2kd1 h TYR 59 CO 0.00 0.22 0.11 0.28 -1.64 0.00 0.00 178.16 177.14 2kd1 h VAL 60 N -0.31 1.21 -0.55 1.81 2.07 -1.04 -1.45 116.25 117.99 2kd1 h VAL 60 Ca -0.00 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 2kd1 h VAL 60 Cb 0.29 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2kd1 h VAL 60 CO 0.01 0.28 0.27 0.78 0.02 0.00 0.00 177.57 178.93 2kd1 h ASN 61 N 0.72 0.71 -0.63 0.57 2.35 -1.26 -2.80 115.58 115.24 2kd1 h ASN 61 Ca 0.16 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2kd1 h ASN 61 Cb 0.28 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 2kd1 h ASN 61 CO -0.00 0.63 0.27 -1.28 -1.65 0.00 0.00 177.43 175.41 2kd1 h SER 62 N 0.74 0.87 -0.96 5.81 0.87 -0.52 -2.32 113.55 118.04 2kd1 h SER 62 Ca 0.19 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2kd1 h SER 62 Cb 0.11 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 61.79 2kd1 h SER 62 CO -0.03 0.77 0.63 -0.07 -0.53 0.00 0.00 176.83 177.61 2kd1 h LEU 63 N 0.94 1.10 -0.86 2.23 3.38 -1.04 -0.40 115.31 120.66 2kd1 h LEU 63 Ca 0.22 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 2kd1 h LEU 63 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2kd1 h LEU 63 CO -0.02 0.79 -0.23 -0.09 0.09 0.00 0.00 178.44 178.98 2kd1 h ARG 64 N 1.29 0.59 0.00 1.13 2.43 -1.23 -2.06 114.38 116.54 2kd1 h ARG 64 Ca 0.35 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2kd1 h ARG 64 Cb -0.15 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 2kd1 h ARG 64 CO -0.08 0.78 -0.36 -0.44 -1.51 0.00 0.00 179.97 178.37 2kd1 h ASP 65 N 0.53 0.00 0.52 -3.80 3.32 -0.80 -2.31 116.42 113.88 2kd1 h ASP 65 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2kd1 h ASP 65 Cb 0.68 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2kd1 h ASP 65 CO 0.05 0.36 -0.04 -0.62 -1.72 0.00 0.00 179.24 177.26 2kd1 n GLU 66 N -3.73 0.48 -2.12 3.56 -0.58 -0.24 -4.93 120.64 113.08 2kd1 n GLU 66 Ca -0.01 -0.07 -0.09 0.00 -0.42 0.00 0.00 57.16 56.58 2kd1 n GLU 66 Cb 0.45 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.81 2kd1 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kd1 n GLY 67 N 1.30 0.07 3.74 0.62 0.00 -0.87 -5.02 105.19 105.02 2kd1 n GLY 67 Ca 0.14 -0.54 -0.41 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 -2.43 4.51 0.76 0.99 1.43 -0.81 -5.05 118.68 118.09 2kd1 s LEU 68 Ca 0.00 1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 54.72 2kd1 s LEU 68 Cb 0.00 -3.50 0.05 0.00 0.03 0.00 0.00 46.19 42.77 2kd1 s LEU 68 CO 0.00 -0.01 1.10 -1.59 0.23 0.00 0.00 176.35 176.08 2kd1 s LYS 69 N -0.21 2.27 0.58 1.70 -2.85 -1.26 -4.65 119.74 115.31 2kd1 s LYS 69 Ca 0.44 1.26 0.27 0.00 -1.00 0.00 0.00 55.97 56.94 2kd1 s LYS 69 Cb -0.23 -1.89 1.61 0.00 -2.06 0.00 0.00 37.83 35.26 2kd1 s LYS 69 CO 0.28 -1.65 2.11 0.07 0.10 0.00 0.00 175.35 176.27 2kd1 h ARG 70 N -0.93 0.00 -0.50 1.78 0.11 -1.86 -1.10 114.38 111.88 2kd1 h ARG 70 Ca -0.44 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.58 2kd1 h ARG 70 Cb 1.24 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.30 2kd1 h ARG 70 CO 0.51 0.00 0.08 0.78 0.10 0.00 0.00 179.97 181.44 2kd1 h GLY 71 N 0.00 0.90 0.84 0.08 0.00 -1.93 0.44 103.07 103.40 2kd1 h GLY 71 Ca 0.08 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 2kd1 h GLY 71 CO -0.00 0.56 0.04 -0.84 0.00 0.00 0.00 176.54 176.30 2kd1 h THR 72 N 0.71 1.20 -0.68 4.70 2.02 -1.58 -2.67 112.91 116.61 2kd1 h THR 72 Ca 0.15 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 2kd1 h THR 72 Cb 0.40 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 2kd1 h THR 72 CO 0.01 0.19 0.34 0.40 0.37 0.00 0.00 175.52 176.84 2kd1 h ILE 73 N 0.09 1.21 0.39 3.11 2.04 -1.38 -2.48 117.51 120.49 2kd1 h ILE 73 Ca 0.05 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 2kd1 h ILE 73 Cb 0.26 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2kd1 h ILE 73 CO 0.00 0.25 -0.27 -0.08 0.00 0.00 0.00 178.15 178.05 2kd1 h GLU 74 N 0.95 -0.62 0.47 2.37 4.81 -0.77 -2.45 114.58 119.35 2kd1 h GLU 74 Ca 0.24 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 2kd1 h GLU 74 Cb 0.07 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2kd1 h GLU 74 CO -0.03 -0.41 -0.23 0.87 -0.73 0.00 0.00 179.01 178.48 2kd1 h LYS 75 N -0.64 -0.61 -0.38 1.92 1.57 -1.29 -2.89 116.57 114.24 2kd1 h LYS 75 Ca -0.04 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2kd1 h LYS 75 Cb 0.54 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 2kd1 h LYS 75 CO 0.02 -0.38 -0.11 -0.84 -0.57 0.00 0.00 179.45 177.57 2kd1 h ILE 76 N -0.70 1.25 -0.49 1.86 3.07 -1.49 -1.26 117.51 119.75 2kd1 h ILE 76 Ca -0.07 -1.11 -0.06 0.00 1.55 0.00 0.00 64.86 65.18 2kd1 h ILE 76 Cb 0.52 1.08 -0.02 0.00 -0.27 0.00 0.00 36.82 38.12 2kd1 h ILE 76 CO 0.11 0.37 0.07 0.40 -1.05 0.00 0.00 178.15 178.05 2kd1 h ILE 77 N 0.61 1.23 -0.29 0.16 1.08 -1.45 -1.60 117.51 117.24 2kd1 h ILE 77 Ca 0.11 -0.86 -0.11 0.00 -0.39 0.00 0.00 64.86 63.60 2kd1 h ILE 77 Cb 0.55 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 2kd1 h ILE 77 CO 0.03 0.31 -0.29 0.11 -0.69 0.00 0.00 178.15 177.62 2kd1 h LYS 78 N 0.73 0.60 -0.43 2.37 1.79 -1.04 -0.18 116.57 120.42 2kd1 h LYS 78 Ca 0.15 -0.26 -0.11 0.00 -2.18 0.00 0.00 60.65 58.25 2kd1 h LYS 78 Cb 0.35 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2kd1 h LYS 78 CO 0.01 0.83 -0.18 0.28 -1.08 0.00 0.00 179.45 179.31 2kd1 h VAL 79 N 0.52 1.28 -0.22 0.50 2.07 -1.08 -0.37 116.25 118.95 2kd1 h VAL 79 Ca 0.07 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 2kd1 h VAL 79 Cb 0.77 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2kd1 h VAL 79 CO 0.06 0.45 0.09 0.40 0.02 0.00 0.00 177.57 178.59 2kd1 h ILE 80 N 0.70 1.16 -0.30 4.57 2.04 -1.17 -2.10 117.51 122.41 2kd1 h ILE 80 Ca 0.10 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.51 2kd1 h ILE 80 Cb 0.74 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 2kd1 h ILE 80 CO 0.06 0.16 0.01 0.03 0.00 0.00 0.00 178.15 178.41 2kd1 h ARG 81 N 0.21 0.10 -0.18 2.37 3.08 -0.92 -0.50 114.38 118.55 2kd1 h ARG 81 Ca 0.08 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 2kd1 h ARG 81 Cb 0.17 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2kd1 h ARG 81 CO -0.01 0.07 -0.27 -0.97 -1.07 0.00 0.00 179.97 177.73 2kd1 h ASN 82 N 0.11 0.33 -0.18 7.04 -0.00 -0.99 0.14 115.58 122.03 2kd1 h ASN 82 Ca 0.14 -0.11 -0.07 0.00 -0.00 0.00 0.00 56.30 56.26 2kd1 h ASN 82 Cb 0.18 -0.09 -0.00 0.00 -0.00 0.00 0.00 38.32 38.41 2kd1 h ASN 82 CO -0.23 0.60 -0.17 -1.28 -0.00 0.00 0.00 177.43 176.36 2kd1 h SER 83 N 0.30 0.46 0.55 1.15 0.87 -1.10 -3.11 113.55 112.66 2kd1 h SER 83 Ca 0.05 -0.47 -0.06 0.00 -1.23 0.00 0.00 61.79 60.08 2kd1 h SER 83 Cb 0.63 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2kd1 h SER 83 CO 0.05 0.83 -0.27 -0.07 -0.53 0.00 0.00 176.83 176.84 2kd1 h LEU 84 N 0.09 0.00 -0.90 2.23 3.38 -0.56 -1.66 115.31 117.90 2kd1 h LEU 84 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kd1 h LEU 84 Cb 0.70 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 2kd1 h LEU 84 CO 0.04 0.27 0.53 -0.33 0.09 0.00 0.00 178.44 179.04 2kd1 h GLU 85 N 0.00 1.23 0.00 1.13 4.39 -0.70 -1.15 114.58 119.47 2kd1 h GLU 85 Ca -0.00 -0.12 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 2kd1 h GLU 85 Cb 0.62 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2kd1 h GLU 85 CO 0.04 0.87 -0.44 1.25 -1.16 0.00 0.00 179.01 179.57 2kd1 h HIS 86 N 1.24 0.00 -0.05 4.33 2.76 -1.37 -2.59 115.15 119.47 2kd1 h HIS 86 Ca 0.32 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.35 2kd1 h HIS 86 Cb -0.03 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2kd1 h HIS 86 CO 0.00 0.44 -0.61 0.00 -1.30 0.00 0.00 177.93 176.46 2kd1 h ALA 87 N 1.56 0.88 -0.36 5.26 0.00 -0.90 -1.11 119.26 124.59 2kd1 h ALA 87 Ca -0.01 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 2kd1 h ALA 87 Cb 1.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2kd1 h ALA 87 CO 0.06 0.74 -0.28 0.82 0.00 0.00 0.00 179.25 180.59 2kd1 h ILE 88 N 0.13 1.28 -0.69 0.00 2.04 -1.17 0.39 117.51 119.49 2kd1 h ILE 88 Ca -0.01 -1.42 0.01 0.00 1.00 0.00 0.00 64.86 64.44 2kd1 h ILE 88 Cb 1.11 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 2kd1 h ILE 88 CO 0.09 0.47 0.45 -0.78 0.00 0.00 0.00 178.15 178.38 2kd1 h ASP 89 N 0.65 0.80 0.82 1.72 3.58 -1.24 -2.06 116.42 120.69 2kd1 h ASP 89 Ca 0.08 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2kd1 h ASP 89 Cb 0.81 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.66 2kd1 h ASP 89 CO 0.07 0.58 -0.05 0.18 -2.88 0.00 0.00 179.24 177.14 2kd1 n LEU 90 N -4.60 0.07 -1.63 2.28 4.77 -0.44 -4.92 117.00 112.53 2kd1 n LEU 90 Ca 0.06 0.38 -0.16 0.00 -0.03 0.00 0.00 56.01 56.25 2kd1 n LEU 90 Cb 0.02 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 2kd1 n LEU 90 CO 0.36 0.02 -0.19 -0.62 -1.33 0.00 0.00 177.39 175.63 2kd1 n GLU 91 N -1.42 -1.23 0.10 3.23 1.02 -0.63 -4.70 120.64 117.00 2kd1 n GLU 91 Ca 0.09 0.89 -0.03 0.00 -0.02 0.00 0.00 57.16 58.08 2kd1 n GLU 91 Cb 0.31 -5.21 -0.02 0.00 -0.02 0.00 0.00 31.44 26.51 2kd1 n GLU 91 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2kd1 h LEU 92 N 0.00 0.00 -8.53 -4.62 3.38 -1.17 -2.47 115.31 101.90 2kd1 h LEU 92 Ca -0.37 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.26 2kd1 h LEU 92 Cb 1.20 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.78 2kd1 h LEU 92 CO 0.47 0.80 -0.73 0.27 0.09 0.00 0.00 178.44 179.33 2kd1 s ILE 93 N -2.96 1.07 -1.03 1.22 -4.36 -1.05 -4.38 121.20 109.72 2kd1 s ILE 93 Ca 0.01 -1.76 0.12 0.00 -0.26 0.00 0.00 60.65 58.76 2kd1 s ILE 93 Cb 0.10 -1.51 0.32 0.00 1.25 0.00 0.00 42.46 42.62 2kd1 s ILE 93 CO 0.79 -0.58 1.25 0.35 0.24 0.00 0.00 174.94 177.00 2kd1 n THR 94 N 0.37 0.94 -3.63 8.37 -2.24 -1.26 -3.94 114.28 112.90 2kd1 n THR 94 Ca -0.15 -0.97 -0.04 0.00 -2.27 0.00 0.00 64.05 60.62 2kd1 n THR 94 Cb 0.58 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 69.29 2kd1 n THR 94 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2kd1 s LYS 95 N -1.00 0.60 -0.86 -0.78 2.20 -1.26 -5.09 119.74 113.56 2kd1 s LYS 95 Ca 0.24 1.14 -0.24 0.00 -0.36 0.00 0.00 55.97 56.75 2kd1 s LYS 95 Cb 0.13 0.29 0.05 0.00 -1.51 0.00 0.00 37.83 36.78 2kd1 s LYS 95 CO 0.17 -0.14 1.30 1.21 -0.36 0.00 0.00 175.35 177.53 2kd1 s ASN 96 N 1.87 6.33 0.15 1.43 3.84 -1.26 -4.87 114.94 122.43 2kd1 s ASN 96 Ca -0.09 -1.02 0.21 0.00 0.21 0.00 0.00 52.86 52.18 2kd1 s ASN 96 Cb -0.06 -2.54 0.86 0.00 -0.55 0.00 0.00 41.25 38.97 2kd1 s ASN 96 CO -0.19 -1.61 1.65 1.33 -2.79 0.00 0.00 177.10 175.50 2kd1 n VAL 97 N 6.46 0.80 0.04 -5.21 0.24 -1.26 -2.60 118.33 116.80 2kd1 n VAL 97 Ca 0.16 0.16 -0.03 0.00 -2.04 0.00 0.00 64.34 62.59 2kd1 n VAL 97 Cb 0.49 -1.00 -0.09 0.00 -1.47 0.00 0.00 33.84 31.78 2kd1 n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kd1 h ALA 98 N 2.43 0.65 0.00 2.33 0.00 -1.91 -3.26 119.26 119.49 2kd1 h ALA 98 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 54.91 53.86 2kd1 h ALA 98 Cb 0.38 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2kd1 h ALA 98 CO 0.00 1.11 -0.41 0.00 0.00 0.00 0.00 179.25 179.95 2kd1 h ALA 99 N 1.25 0.99 0.00 0.00 0.00 -1.85 -2.50 119.26 117.16 2kd1 h ALA 99 Ca -0.15 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2kd1 h ALA 99 Cb 1.70 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2kd1 h ALA 99 CO 0.07 0.51 0.00 1.63 0.00 0.00 0.00 179.25 181.46 2kd1 n LYS 100 N -3.57 0.03 -3.54 0.00 4.76 -1.20 -4.65 118.16 110.00 2kd1 n LYS 100 Ca -0.00 0.08 -0.40 0.00 -2.87 0.00 0.00 58.31 55.11 2kd1 n LYS 100 Cb 0.52 -1.54 -0.11 0.00 -1.84 0.00 0.00 35.03 32.06 2kd1 n LYS 100 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2kd1 s THR 101 N -3.02 5.13 0.77 -0.18 2.01 -0.94 -5.10 115.64 114.31 2kd1 s THR 101 Ca 0.12 -0.36 -0.12 0.00 0.31 0.00 0.00 61.69 61.64 2kd1 s THR 101 Cb 0.16 -3.68 0.05 0.00 0.01 0.00 0.00 72.50 69.05 2kd1 s THR 101 CO 0.49 -0.06 1.15 -1.59 -0.69 0.00 0.00 174.62 173.92 2kd1 s LYS 102 N 1.69 2.30 -0.12 4.92 -2.85 -1.26 -4.93 119.74 119.49 2kd1 s LYS 102 Ca 0.05 0.25 -0.30 0.00 -1.00 0.00 0.00 55.97 54.97 2kd1 s LYS 102 Cb -0.18 -1.98 -0.02 0.00 -2.06 0.00 0.00 37.83 33.59 2kd1 s LYS 102 CO 0.10 -1.38 1.23 -1.17 0.10 0.00 0.00 175.35 174.22 2kd1 s LEU 103 N -5.50 4.22 0.45 2.77 2.96 -1.26 -5.07 118.68 117.26 2kd1 s LEU 103 Ca 0.61 1.74 -0.07 0.00 -0.22 0.00 0.00 54.13 56.18 2kd1 s LEU 103 Cb -0.11 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.99 2kd1 s LEU 103 CO 0.50 -0.68 0.79 -2.16 -1.32 0.00 0.00 176.35 173.47 2kd1 s PRO 104 N 2.93 3.64 -0.54 0.98 0.04 -1.26 -5.06 135.00 135.73 2kd1 s PRO 104 Ca 0.55 0.32 -0.25 0.00 0.04 0.00 0.00 61.00 61.66 2kd1 s PRO 104 Cb -0.23 -2.37 0.04 0.00 0.04 0.00 0.00 34.50 31.97 2kd1 s PRO 104 CO 0.18 -0.15 0.98 0.15 0.04 0.00 0.00 177.00 178.19 2kd1 s LYS 105 N -4.40 3.40 -0.88 4.56 1.02 -1.26 -4.77 119.74 117.41 2kd1 s LYS 105 Ca 0.49 -0.09 -0.07 0.00 0.02 0.00 0.00 55.97 56.33 2kd1 s LYS 105 Cb -0.10 -4.02 -0.06 0.00 -0.52 0.00 0.00 37.83 33.13 2kd1 s LYS 105 CO 0.40 -1.46 2.98 0.00 -0.92 0.00 0.00 175.35 176.35 2kd1 n ALA 106 N 7.55 6.86 -3.81 5.17 0.00 -1.26 -4.90 120.51 130.11 2kd1 n ALA 106 Ca 0.04 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.38 2kd1 n ALA 106 Cb 0.48 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.22 2kd1 n ALA 106 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kd1 n ASP 107 N 2.32 1.89 -1.08 0.00 5.75 -1.26 -4.69 116.55 119.48 2kd1 n ASP 107 Ca 0.59 -0.86 0.02 0.00 -0.01 0.00 0.00 54.79 54.54 2kd1 n ASP 107 Cb 0.49 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.59 2kd1 n ASP 107 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2kd1 n LYS 108 N 0.00 0.00 -0.28 0.11 2.85 -1.26 -4.94 118.16 114.65 2kd1 n LYS 108 Ca 0.00 -1.55 -0.02 0.00 -1.05 0.00 0.00 58.31 55.69 2kd1 n LYS 108 Cb 0.00 -0.19 0.08 0.00 -0.65 0.00 0.00 35.03 34.27 2kd1 n LYS 108 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2kd1 n GLU 109 N 0.28 1.69 -0.11 -1.58 -0.58 -1.26 -4.39 120.64 114.70 2kd1 n GLU 109 Ca 0.03 -0.81 0.00 0.00 -0.42 0.00 0.00 57.16 55.96 2kd1 n GLU 109 Cb 0.95 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 2kd1 n GLU 109 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 2kd1 n GLU 110 N 0.12 0.95 -1.89 3.49 0.28 -1.26 -4.53 120.64 117.80 2kd1 n GLU 110 Ca 0.11 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.71 2kd1 n GLU 110 Cb 0.65 -1.03 -0.01 0.00 1.43 0.00 0.00 31.44 32.48 2kd1 n GLU 110 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2kd1 n LEU 111 N 0.76 8.17 -3.76 -1.84 4.77 -1.26 -4.84 117.00 118.98 2kd1 n LEU 111 Ca 0.00 -4.81 -0.14 0.00 -0.03 0.00 0.00 56.01 51.03 2kd1 n LEU 111 Cb 0.47 -1.39 -0.15 0.00 -2.33 0.00 0.00 43.42 40.02 2kd1 n LEU 111 CO 0.00 2.06 -0.28 -0.70 -1.33 0.00 0.00 177.39 177.14 2kd1 s GLU 112 N -0.62 0.03 0.51 3.23 -6.30 -1.26 -5.07 118.70 109.23 2kd1 s GLU 112 Ca 0.57 0.28 0.23 0.00 -2.50 0.00 0.00 54.97 53.55 2kd1 s GLU 112 Cb 0.18 -0.20 1.37 0.00 0.00 0.00 0.00 34.13 35.48 2kd1 s GLU 112 CO -0.09 -0.16 2.08 1.25 0.02 0.00 0.00 175.26 178.36 2kd1 h HIS 113 N 7.21 0.00 -0.63 5.30 -0.00 -2.01 -2.80 115.15 122.22 2kd1 h HIS 113 Ca -0.43 0.00 -0.62 0.00 -0.00 0.00 0.00 60.37 59.32 2kd1 h HIS 113 Cb 1.13 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 28.47 2kd1 h HIS 113 CO 0.46 0.12 2.26 0.72 -0.00 0.00 0.00 177.93 181.49 2kd1 n HIS 114 N -3.90 2.08 -2.08 5.26 8.25 -1.26 -4.93 115.22 118.64 2kd1 n HIS 114 Ca -0.02 -2.63 -0.31 0.00 -0.26 0.00 0.00 57.72 54.50 2kd1 n HIS 114 Cb 0.21 -1.96 -0.04 0.00 1.12 0.00 0.00 29.99 29.32 2kd1 n HIS 114 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kd1 s HIS 115 N 0.10 1.81 -0.85 4.41 2.46 -1.06 -4.91 115.29 117.25 2kd1 s HIS 115 Ca 0.61 0.58 -0.25 0.00 0.47 0.00 0.00 55.06 56.48 2kd1 s HIS 115 Cb 0.23 -4.11 -0.03 0.00 -0.13 0.00 0.00 32.58 28.55 2kd1 s HIS 115 CO -0.09 -1.94 1.83 -1.58 -2.47 0.00 0.00 174.74 170.49 2kd1 s HIS 116 N 9.40 1.89 -0.15 3.88 5.04 -1.26 -4.75 115.29 129.34 2kd1 s HIS 116 Ca 0.67 0.44 -0.10 0.00 -1.54 0.00 0.00 55.06 54.53 2kd1 s HIS 116 Cb -0.08 -4.17 -0.24 0.00 0.04 0.00 0.00 32.58 28.13 2kd1 s HIS 116 CO 0.06 -1.91 0.29 -2.39 -2.34 0.00 0.00 174.74 168.45 2kd1 n HIS 117 N 12.83 1.13 -1.99 3.88 1.44 -1.26 -5.26 115.22 125.99 2kd1 n HIS 117 Ca 0.33 0.29 0.00 0.00 -2.01 0.00 0.00 57.72 56.33 2kd1 n HIS 117 Cb 0.49 -1.14 0.00 0.00 0.12 0.00 0.00 29.99 29.46 2kd1 n HIS 117 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25