#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl2 s LEU 38 N 0.00 3.14 -0.44 -1.84 1.43 -1.26 -5.10 118.68 114.62 3kl2 s LEU 38 Ca 0.00 -0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 52.92 3kl2 s LEU 38 Cb 0.00 -1.69 0.06 0.00 0.03 0.00 0.00 46.19 44.59 3kl2 s LEU 38 CO 0.00 0.33 0.32 -0.62 0.23 0.00 0.00 176.35 176.62 3kl2 s ASP 39 N -0.64 5.94 0.56 2.29 3.68 -1.26 -4.97 116.67 122.27 3kl2 s ASP 39 Ca 0.10 -1.29 0.26 0.00 2.13 0.00 0.00 52.55 53.74 3kl2 s ASP 39 Cb -0.11 -2.10 1.50 0.00 -1.45 0.00 0.00 42.92 40.75 3kl2 s ASP 39 CO 0.02 -0.56 2.06 1.55 0.13 0.00 0.00 175.17 178.36 3kl2 h PRO 40 N 8.60 0.00 0.00 4.34 0.13 -1.93 0.77 132.00 143.92 3kl2 h PRO 40 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3kl2 h PRO 40 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3kl2 h PRO 40 CO 0.80 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.57 3kl2 h ALA 41 N 1.76 1.00 -0.15 -0.56 0.00 -1.92 -3.26 119.26 116.12 3kl2 h ALA 41 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3kl2 h ALA 41 Cb 0.66 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.27 3kl2 h ALA 41 CO -0.00 0.00 -0.70 0.54 0.00 0.00 0.00 179.25 179.09 3kl2 n ARG 42 N -2.82 1.63 -4.05 0.00 1.74 0.25 -4.64 116.66 108.77 3kl2 n ARG 42 Ca 0.02 -3.21 -0.13 0.00 -0.77 0.00 0.00 57.85 53.76 3kl2 n ARG 42 Cb 0.31 -1.41 -0.12 0.00 -1.02 0.00 0.00 32.46 30.22 3kl2 n ARG 42 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kl2 s THR 43 N -2.86 0.36 -0.00 0.55 2.01 -1.11 -1.99 115.64 112.61 3kl2 s THR 43 Ca 0.39 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 3kl2 s THR 43 Cb 0.38 -0.41 -0.01 0.00 0.01 0.00 0.00 72.50 72.47 3kl2 s THR 43 CO -0.07 -0.26 0.05 0.00 -0.69 0.00 0.00 174.62 173.65 3kl2 s ALA 44 N -0.98 -0.10 -0.16 7.40 0.00 -0.67 -4.19 121.76 123.05 3kl2 s ALA 44 Ca -0.08 -0.20 -0.15 0.00 0.00 0.00 0.00 51.96 51.54 3kl2 s ALA 44 Cb -0.07 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3kl2 s ALA 44 CO -0.00 -0.13 0.35 0.42 0.00 0.00 0.00 175.76 176.40 3kl2 s ILE 45 N -0.91 5.27 -0.28 0.00 -1.09 -0.87 -0.77 121.20 122.55 3kl2 s ILE 45 Ca -0.10 0.65 0.02 0.00 -2.23 0.00 0.00 60.65 58.99 3kl2 s ILE 45 Cb -0.06 -3.68 0.06 0.00 -1.58 0.00 0.00 42.46 37.20 3kl2 s ILE 45 CO 0.00 0.35 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.31 3kl2 s VAL 46 N 0.66 2.43 -0.40 2.92 1.01 0.19 -0.51 120.40 126.71 3kl2 s VAL 46 Ca 0.19 -1.64 -0.14 0.00 0.00 0.00 0.00 61.98 60.39 3kl2 s VAL 46 Cb -0.14 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.81 3kl2 s VAL 46 CO 0.06 -0.11 0.27 -0.76 0.00 0.00 0.00 175.10 174.56 3kl2 s LEU 47 N 1.13 5.00 -0.41 3.92 1.43 0.03 -2.13 118.68 127.64 3kl2 s LEU 47 Ca -0.06 -0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 51.95 3kl2 s LEU 47 Cb -0.20 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 43.92 3kl2 s LEU 47 CO -0.04 -0.43 0.44 -0.63 0.23 0.00 0.00 176.35 175.92 3kl2 s ILE 48 N 1.65 5.08 -1.18 -0.59 1.01 -0.43 -0.79 121.20 125.94 3kl2 s ILE 48 Ca 0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 3kl2 s ILE 48 Cb -0.19 -4.02 0.01 0.00 0.01 0.00 0.00 42.46 38.27 3kl2 s ILE 48 CO 0.09 -0.39 1.02 -0.62 0.00 0.00 0.00 174.94 175.04 3kl2 n GLU 49 N 5.61 -6.87 -1.45 2.79 1.02 -0.53 -1.51 120.64 119.69 3kl2 n GLU 49 Ca -0.07 0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 57.40 3kl2 n GLU 49 Cb 0.48 -5.51 -0.02 0.00 -0.02 0.00 0.00 31.44 26.37 3kl2 n GLU 49 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kl2 n TYR 50 N -4.55 2.80 -4.31 -0.32 4.01 -1.26 -4.65 117.16 108.88 3kl2 n TYR 50 Ca -0.04 -2.61 -0.26 0.00 -0.16 0.00 0.00 57.90 54.83 3kl2 n TYR 50 Cb 0.57 -2.26 -0.09 0.00 -0.31 0.00 0.00 39.34 37.25 3kl2 n TYR 50 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3kl2 s GLN 51 N 3.57 2.04 0.53 -0.72 -0.21 -1.26 -1.24 119.66 122.37 3kl2 s GLN 51 Ca 0.52 -1.34 0.19 0.00 0.02 0.00 0.00 55.36 54.75 3kl2 s GLN 51 Cb 0.14 -2.12 1.33 0.00 1.00 0.00 0.00 33.01 33.36 3kl2 s GLN 51 CO -0.03 0.41 2.10 -0.91 -2.12 0.00 0.00 175.29 174.75 3kl2 h ASN 52 N 2.71 0.00 -0.98 5.90 2.35 -1.26 0.82 115.58 125.11 3kl2 h ASN 52 Ca -0.46 0.00 0.23 0.00 -0.55 0.00 0.00 56.30 55.52 3kl2 h ASN 52 Cb 1.22 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.50 3kl2 h ASN 52 CO 0.55 0.00 0.63 -0.08 -1.65 0.00 0.00 177.43 176.89 3kl2 h GLU 53 N 0.00 0.44 0.00 0.81 4.57 -1.42 -1.77 114.58 117.22 3kl2 h GLU 53 Ca 0.08 -0.03 -0.40 0.00 -1.18 0.00 0.00 59.36 57.83 3kl2 h GLU 53 Cb 0.31 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 28.74 3kl2 h GLU 53 CO -0.00 0.29 -2.26 1.19 -1.18 0.00 0.00 179.01 177.05 3kl2 n PHE 54 N -4.59 0.15 0.21 0.92 3.72 0.11 -1.87 117.46 116.11 3kl2 n PHE 54 Ca 0.23 0.06 0.09 0.00 -0.05 0.00 0.00 57.45 57.78 3kl2 n PHE 54 Cb 0.76 -0.98 0.33 0.00 -0.94 0.00 0.00 39.48 38.65 3kl2 n PHE 54 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3kl2 h THR 55 N -1.00 0.47 -4.11 4.37 1.35 -0.98 -3.36 112.91 109.64 3kl2 h THR 55 Ca -0.61 -1.29 -0.49 0.00 -0.55 0.00 0.00 66.41 63.47 3kl2 h THR 55 Cb 1.53 1.94 -0.26 0.00 -1.73 0.00 0.00 68.15 69.62 3kl2 h THR 55 CO -0.37 0.22 -0.81 -0.44 -0.25 0.00 0.00 175.52 173.87 3kl2 s SER 56 N -6.20 1.89 0.13 5.36 0.01 -0.68 -5.00 113.70 109.21 3kl2 s SER 56 Ca 0.03 -0.43 -0.34 0.00 1.31 0.00 0.00 55.95 56.51 3kl2 s SER 56 Cb 0.09 -0.15 -0.14 0.00 0.21 0.00 0.00 66.02 66.03 3kl2 s SER 56 CO 0.66 0.10 1.61 0.47 0.41 0.00 0.00 173.24 176.49 3kl2 n ASP 57 N 2.06 3.13 0.00 2.44 8.00 -1.26 -0.75 116.55 130.16 3kl2 n ASP 57 Ca -0.17 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.40 3kl2 n ASP 57 Cb 0.54 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.23 3kl2 n ASP 57 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kl2 n GLY 58 N 3.53 3.28 3.72 0.44 0.00 -1.26 -5.07 105.19 109.83 3kl2 n GLY 58 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3kl2 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kl2 n GLY 59 N -1.66 0.90 0.27 -0.02 0.00 0.07 -4.88 105.19 99.86 3kl2 n GLY 59 Ca 0.00 0.39 0.10 0.00 0.00 0.00 0.00 46.02 46.51 3kl2 n GLY 59 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kl2 h VAL 60 N 2.91 0.86 -0.30 1.61 2.07 -1.86 -2.09 116.25 119.45 3kl2 h VAL 60 Ca -0.47 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3kl2 h VAL 60 Cb 1.26 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3kl2 h VAL 60 CO 0.69 0.01 0.00 0.18 0.02 0.00 0.00 177.57 178.47 3kl2 n LEU 61 N -4.31 2.79 -0.09 2.57 4.77 -0.78 -4.74 117.00 117.20 3kl2 n LEU 61 Ca -0.03 -1.94 -0.13 0.00 -0.03 0.00 0.00 56.01 53.88 3kl2 n LEU 61 Cb 0.10 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 3kl2 n LEU 61 CO 0.32 0.69 0.57 -0.74 -1.33 0.00 0.00 177.39 176.90 3kl2 h HIS 62 N 1.86 0.84 -0.10 -1.77 2.76 -0.66 -3.09 115.15 114.98 3kl2 h HIS 62 Ca 0.00 -0.25 0.03 0.00 -2.20 0.00 0.00 60.37 57.95 3kl2 h HIS 62 Cb 0.69 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.47 3kl2 h HIS 62 CO 0.20 0.99 0.08 0.78 -1.30 0.00 0.00 177.93 178.69 3kl2 h GLY 63 N 0.44 0.00 2.00 5.26 0.00 -1.85 -0.19 103.07 108.73 3kl2 h GLY 63 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.25 3kl2 h GLY 63 CO 0.07 0.00 -0.60 0.00 0.00 0.00 0.00 176.54 176.01 3kl2 h ALA 64 N 1.93 0.62 -0.01 3.60 0.00 -1.89 -3.30 119.26 120.21 3kl2 h ALA 64 Ca 0.05 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kl2 h ALA 64 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3kl2 h ALA 64 CO -0.00 0.74 -0.44 1.33 0.00 0.00 0.00 179.25 180.89 3kl2 n VAL 65 N -3.25 0.00 -0.10 0.00 0.24 -0.88 -4.20 118.33 110.13 3kl2 n VAL 65 Ca 0.02 -0.28 -0.06 0.00 -2.04 0.00 0.00 64.34 61.97 3kl2 n VAL 65 Cb 0.77 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 34.23 3kl2 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kl2 h ALA 66 N 2.14 0.06 -0.11 2.33 0.00 -1.13 -1.56 119.26 120.99 3kl2 h ALA 66 Ca 0.00 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3kl2 h ALA 66 Cb 0.39 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 3kl2 h ALA 66 CO 0.00 -0.57 -0.13 -0.44 0.00 0.00 0.00 179.25 178.10 3kl2 h ASP 67 N -0.14 -0.41 -0.58 0.00 3.32 -1.84 0.91 116.42 117.69 3kl2 h ASP 67 Ca 0.18 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 3kl2 h ASP 67 Cb 0.42 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3kl2 h ASP 67 CO -0.45 -0.18 0.05 0.58 -1.72 0.00 0.00 179.24 177.52 3kl2 h VAL 68 N -0.17 1.26 -0.83 -1.35 2.07 -1.77 0.03 116.25 115.49 3kl2 h VAL 68 Ca 0.08 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.57 3kl2 h VAL 68 Cb 0.29 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 3kl2 h VAL 68 CO -0.21 0.39 0.55 0.24 0.02 0.00 0.00 177.57 178.56 3kl2 h MET 69 N 0.94 1.01 0.03 1.57 2.86 -0.65 -0.10 114.93 120.58 3kl2 h MET 69 Ca 0.18 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3kl2 h MET 69 Cb 0.48 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3kl2 h MET 69 CO 0.02 0.67 -0.01 0.37 1.06 0.00 0.00 176.91 179.01 3kl2 h GLN 70 N 1.04 -0.04 -0.83 1.72 -0.00 -0.37 -1.28 115.11 115.35 3kl2 h GLN 70 Ca 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.98 3kl2 h GLN 70 Cb 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 27.48 27.48 3kl2 h GLN 70 CO -0.10 0.51 0.49 0.45 0.00 0.00 0.00 178.83 180.18 3kl2 h HIS 71 N -0.62 1.11 0.03 3.99 3.86 -0.78 -2.89 115.15 119.85 3kl2 h HIS 71 Ca -0.00 -0.01 -0.21 0.00 -1.16 0.00 0.00 60.37 58.98 3kl2 h HIS 71 Cb 0.57 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 3kl2 h HIS 71 CO 0.12 0.75 -0.99 1.79 0.86 0.00 0.00 177.93 180.45 3kl2 h THR 72 N 1.14 1.60 -4.41 2.45 1.35 -1.10 -3.48 112.91 110.48 3kl2 h THR 72 Ca 0.30 -3.06 -0.41 0.00 -0.55 0.00 0.00 66.41 62.68 3kl2 h THR 72 Cb -0.03 2.72 0.06 0.00 -1.73 0.00 0.00 68.15 69.17 3kl2 h THR 72 CO -0.05 0.88 -0.61 0.61 -0.25 0.00 0.00 175.52 176.10 3kl2 n GLY 73 N 1.19 -0.52 0.35 5.82 0.00 -0.48 -4.91 105.19 106.63 3kl2 n GLY 73 Ca -0.03 0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.14 3kl2 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kl2 h MET 74 N -1.34 0.95 0.62 1.61 -0.00 -1.69 -1.91 114.93 113.17 3kl2 h MET 74 Ca -0.53 -0.06 -0.03 0.00 -0.00 0.00 0.00 59.70 59.08 3kl2 h MET 74 Cb 1.37 -0.21 0.01 0.00 -0.00 0.00 0.00 31.60 32.76 3kl2 h MET 74 CO 0.57 0.63 -0.30 1.25 -0.00 0.00 0.00 176.91 179.07 3kl2 h LEU 75 N 0.98 -0.70 -1.13 -0.10 5.85 -1.88 0.29 115.31 118.62 3kl2 h LEU 75 Ca 0.30 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 3kl2 h LEU 75 Cb 0.00 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3kl2 h LEU 75 CO -0.08 -0.45 0.27 0.00 -0.34 0.00 0.00 178.44 177.84 3kl2 h ALA 76 N -0.58 1.32 -0.69 1.25 0.00 -1.93 -1.31 119.26 117.31 3kl2 h ALA 76 Ca -0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3kl2 h ALA 76 Cb 0.67 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3kl2 h ALA 76 CO 0.14 0.52 0.16 -0.91 0.00 0.00 0.00 179.25 179.16 3kl2 h ASN 77 N 0.88 1.04 -0.58 0.00 2.35 -1.20 -2.04 115.58 116.03 3kl2 h ASN 77 Ca 0.21 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 3kl2 h ASN 77 Cb 0.13 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 3kl2 h ASN 77 CO -0.02 1.00 0.11 0.74 -1.65 0.00 0.00 177.43 177.60 3kl2 h THR 78 N 1.04 1.26 -0.85 2.81 2.02 0.07 -1.78 112.91 117.48 3kl2 h THR 78 Ca 0.22 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.46 3kl2 h THR 78 Cb 0.37 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 3kl2 h THR 78 CO 0.00 0.35 0.55 0.58 0.37 0.00 0.00 175.52 177.38 3kl2 h VAL 79 N 0.86 1.15 -0.31 3.16 2.07 -0.92 -1.34 116.25 120.92 3kl2 h VAL 79 Ca 0.18 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3kl2 h VAL 79 Cb 0.40 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3kl2 h VAL 79 CO 0.01 0.20 0.07 0.00 0.02 0.00 0.00 177.57 177.86 3kl2 h ALA 80 N 1.34 0.41 -0.60 1.67 0.00 -1.19 -1.91 119.26 118.99 3kl2 h ALA 80 Ca 0.33 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.08 3kl2 h ALA 80 Cb -0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3kl2 h ALA 80 CO -0.11 0.08 0.39 0.28 0.00 0.00 0.00 179.25 179.89 3kl2 h VAL 81 N 0.34 1.12 -0.20 0.00 2.07 -0.82 -2.31 116.25 116.46 3kl2 h VAL 81 Ca 0.10 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 3kl2 h VAL 81 Cb 0.31 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3kl2 h VAL 81 CO 0.00 0.14 0.08 0.58 0.02 0.00 0.00 177.57 178.40 3kl2 h VAL 82 N 0.78 1.16 -0.49 2.57 2.07 -1.23 -0.79 116.25 120.32 3kl2 h VAL 82 Ca 0.23 -0.46 0.10 0.00 0.82 0.00 0.00 66.70 67.38 3kl2 h VAL 82 Cb -0.05 1.10 -0.10 0.00 -1.52 0.00 0.00 31.29 30.72 3kl2 h VAL 82 CO -0.07 0.15 -0.16 0.44 0.02 0.00 0.00 177.57 177.96 3kl2 h ASP 83 N 0.17 -0.56 0.31 0.57 5.19 -1.19 0.29 116.42 121.20 3kl2 h ASP 83 Ca 0.07 0.16 -0.08 0.00 -0.62 0.00 0.00 57.03 56.56 3kl2 h ASP 83 Cb 0.16 0.34 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 3kl2 h ASP 83 CO -0.01 -0.19 -0.34 0.00 -3.12 0.00 0.00 179.24 175.58 3kl2 h ALA 84 N 1.40 1.38 -0.32 3.45 0.00 -1.27 -2.60 119.26 121.30 3kl2 h ALA 84 Ca 0.24 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.64 3kl2 h ALA 84 Cb 0.40 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kl2 h ALA 84 CO -0.53 0.46 -0.50 0.00 0.00 0.00 0.00 179.25 178.68 3kl2 h ALA 85 N 1.61 0.50 -0.26 0.00 0.00 0.26 -2.40 119.26 118.97 3kl2 h ALA 85 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.44 3kl2 h ALA 85 Cb 0.63 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3kl2 h ALA 85 CO 0.05 0.68 0.10 0.00 0.00 0.00 0.00 179.25 180.08 3kl2 h ARG 86 N 0.70 0.22 -0.89 0.00 2.47 -0.34 0.12 114.38 116.67 3kl2 h ARG 86 Ca 0.03 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 3kl2 h ARG 86 Cb 1.11 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.34 3kl2 h ARG 86 CO 0.11 0.15 0.51 1.96 0.56 0.00 0.00 179.97 183.26 3kl2 h GLN 87 N 0.23 1.21 -0.04 0.04 4.20 -1.47 -2.18 115.11 117.10 3kl2 h GLN 87 Ca 0.11 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3kl2 h GLN 87 Cb 0.06 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.60 3kl2 h GLN 87 CO -0.10 0.87 0.00 0.00 -0.67 0.00 0.00 178.83 178.93 3kl2 n ALA 88 N -2.41 2.60 -1.50 3.87 0.00 -0.91 -4.90 120.51 117.26 3kl2 n ALA 88 Ca 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 53.44 53.24 3kl2 n ALA 88 Cb 0.08 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 3kl2 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kl2 n GLY 89 N 0.95 0.46 3.66 0.00 0.00 -0.82 -4.85 105.19 104.59 3kl2 n GLY 89 Ca 0.17 -0.86 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 3kl2 n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kl2 s VAL 90 N -2.13 5.26 0.39 1.61 1.01 0.40 -4.86 120.40 122.08 3kl2 s VAL 90 Ca 0.00 0.48 -0.27 0.00 0.00 0.00 0.00 61.98 62.19 3kl2 s VAL 90 Cb 0.00 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 3kl2 s VAL 90 CO 0.00 0.28 1.34 -2.16 0.00 0.00 0.00 175.10 174.57 3kl2 s PRO 91 N 1.27 4.06 -0.22 2.72 0.04 -1.26 -4.26 135.00 137.34 3kl2 s PRO 91 Ca 0.14 2.26 -0.10 0.00 0.04 0.00 0.00 61.00 63.33 3kl2 s PRO 91 Cb -0.14 -2.86 -0.05 0.00 0.04 0.00 0.00 34.50 31.49 3kl2 s PRO 91 CO 0.07 -0.46 0.15 0.42 0.04 0.00 0.00 177.00 177.22 3kl2 s ILE 92 N -1.20 5.38 -0.21 0.56 -1.09 -1.26 -2.04 121.20 121.32 3kl2 s ILE 92 Ca 0.55 0.18 -0.01 0.00 -2.23 0.00 0.00 60.65 59.14 3kl2 s ILE 92 Cb -0.40 -3.49 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 3kl2 s ILE 92 CO 0.53 0.38 -0.12 -0.04 -1.23 0.00 0.00 174.94 174.46 3kl2 s MET 93 N 0.80 3.07 -0.09 2.79 -1.94 0.34 -1.66 119.30 122.60 3kl2 s MET 93 Ca 0.08 -0.81 -0.10 0.00 -1.71 0.00 0.00 55.69 53.15 3kl2 s MET 93 Cb -0.13 -2.81 -0.05 0.00 2.01 0.00 0.00 34.83 33.86 3kl2 s MET 93 CO 0.02 -0.25 0.24 -1.01 -0.01 0.00 0.00 175.02 174.01 3kl2 s HIS 94 N 1.35 3.63 -0.59 -0.03 3.76 -0.23 -0.79 115.29 122.39 3kl2 s HIS 94 Ca 0.04 0.68 0.04 0.00 -0.15 0.00 0.00 55.06 55.67 3kl2 s HIS 94 Cb -0.14 -2.09 0.17 0.00 1.11 0.00 0.00 32.58 31.62 3kl2 s HIS 94 CO -0.08 0.65 0.42 0.00 -0.85 0.00 0.00 174.74 174.89 3kl2 s ALA 95 N -0.88 2.95 0.49 -1.40 0.00 0.03 -0.09 121.76 122.86 3kl2 s ALA 95 Ca 0.18 -3.31 -0.14 0.00 0.00 0.00 0.00 51.96 48.68 3kl2 s ALA 95 Cb -0.14 -1.97 -0.07 0.00 0.00 0.00 0.00 23.12 20.94 3kl2 s ALA 95 CO 0.07 -2.06 0.92 -1.25 0.00 0.00 0.00 175.76 173.45 3kl2 s PRO 96 N -0.82 3.87 -0.06 0.00 0.04 -1.26 -1.45 135.00 135.32 3kl2 s PRO 96 Ca 0.26 0.79 0.01 0.00 0.04 0.00 0.00 61.00 62.10 3kl2 s PRO 96 Cb -0.04 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.26 3kl2 s PRO 96 CO -0.16 -0.22 -0.05 -1.50 0.04 0.00 0.00 177.00 175.11 3kl2 s ILE 97 N -2.59 3.83 0.13 0.56 2.07 -1.26 -4.37 121.20 119.56 3kl2 s ILE 97 Ca 0.56 -0.46 -0.11 0.00 -1.41 0.00 0.00 60.65 59.23 3kl2 s ILE 97 Cb -0.10 -2.59 0.01 0.00 0.13 0.00 0.00 42.46 39.91 3kl2 s ILE 97 CO 0.33 0.58 0.29 0.42 -1.91 0.00 0.00 174.94 174.65 3kl2 s THR 98 N -0.85 0.10 -0.06 4.00 -4.23 -1.22 -4.86 115.64 108.52 3kl2 s THR 98 Ca 0.13 -1.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.55 3kl2 s THR 98 Cb -0.11 -1.45 0.03 0.00 1.34 0.00 0.00 72.50 72.31 3kl2 s THR 98 CO 0.02 -0.44 0.15 -0.36 -0.54 0.00 0.00 174.62 173.46 3kl2 s PHE 99 N -3.88 -0.17 0.32 3.99 0.08 0.20 -4.73 117.98 113.79 3kl2 s PHE 99 Ca 0.08 0.47 -0.28 0.00 0.12 0.00 0.00 56.93 57.31 3kl2 s PHE 99 Cb 0.03 -0.03 -0.13 0.00 -0.57 0.00 0.00 43.02 42.32 3kl2 s PHE 99 CO -0.08 -0.14 1.20 0.00 -0.10 0.00 0.00 175.22 176.11 3kl2 n ALA 100 N 3.80 0.79 -1.75 5.36 0.00 -1.26 -0.80 120.51 126.65 3kl2 n ALA 100 Ca -0.22 0.37 -0.41 0.00 0.00 0.00 0.00 53.44 53.18 3kl2 n ALA 100 Cb 0.54 -2.18 -0.01 0.00 0.00 0.00 0.00 19.45 17.80 3kl2 n ALA 100 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kl2 n GLU 101 N 0.67 2.75 -0.04 0.00 2.13 -1.26 -1.64 120.64 123.24 3kl2 n GLU 101 Ca 0.07 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.86 3kl2 n GLU 101 Cb 0.34 -2.76 0.00 0.00 0.27 0.00 0.00 31.44 29.29 3kl2 n GLU 101 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kl2 n GLY 102 N 2.04 0.43 2.46 8.31 0.00 -1.26 -4.55 105.19 112.62 3kl2 n GLY 102 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 3kl2 n GLY 102 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kl2 n TYR 103 N -2.00 -1.38 0.22 1.61 4.01 -0.65 -4.85 117.16 114.12 3kl2 n TYR 103 Ca 0.00 0.01 0.11 0.00 -0.16 0.00 0.00 57.90 57.86 3kl2 n TYR 103 Cb 0.00 -2.92 0.55 0.00 -0.31 0.00 0.00 39.34 36.65 3kl2 n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kl2 n GLY 104 N -0.84 -0.96 0.00 2.72 0.00 -1.26 -2.36 105.19 102.48 3kl2 n GLY 104 Ca -0.16 0.16 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3kl2 n GLY 104 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kl2 n GLU 105 N -2.23 0.55 -4.32 1.61 1.02 -1.26 -4.85 120.64 111.16 3kl2 n GLU 105 Ca -0.00 0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 56.99 3kl2 n GLU 105 Cb 0.08 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.90 3kl2 n GLU 105 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kl2 s LEU 106 N -2.37 2.38 0.46 -4.62 1.43 -1.00 -5.13 118.68 109.84 3kl2 s LEU 106 Ca 0.31 -1.13 -0.22 0.00 -1.03 0.00 0.00 54.13 52.06 3kl2 s LEU 106 Cb 0.18 -0.40 -0.11 0.00 0.03 0.00 0.00 46.19 45.90 3kl2 s LEU 106 CO 0.38 -0.39 0.73 1.07 0.23 0.00 0.00 176.35 178.37 3kl2 n THR 107 N -0.37 2.22 0.69 5.49 5.66 -1.26 -4.88 114.28 121.84 3kl2 n THR 107 Ca -0.07 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.55 3kl2 n THR 107 Cb 0.62 -0.81 0.48 0.00 -1.55 0.00 0.00 70.33 69.07 3kl2 n THR 107 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3kl2 n ARG 108 N 0.22 0.13 -3.17 1.09 1.74 -1.26 -3.99 116.66 111.42 3kl2 n ARG 108 Ca 0.11 0.18 -0.25 0.00 -0.77 0.00 0.00 57.85 57.12 3kl2 n ARG 108 Cb 0.41 -1.67 -0.06 0.00 -1.02 0.00 0.00 32.46 30.12 3kl2 n ARG 108 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3kl2 n HIS 109 N -1.91 2.75 -1.46 -1.55 8.25 -1.26 -5.11 115.22 114.93 3kl2 n HIS 109 Ca 0.05 -3.97 -0.33 0.00 -0.26 0.00 0.00 57.72 53.21 3kl2 n HIS 109 Cb 0.33 -0.48 0.08 0.00 1.12 0.00 0.00 29.99 31.04 3kl2 n HIS 109 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3kl2 s PRO 110 N -2.69 2.27 0.29 -0.41 0.04 -1.26 -5.06 135.00 128.19 3kl2 s PRO 110 Ca 0.43 1.57 0.04 0.00 0.04 0.00 0.00 61.00 63.08 3kl2 s PRO 110 Cb 0.23 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.85 3kl2 s PRO 110 CO -0.08 -1.70 0.04 1.52 0.04 0.00 0.00 177.00 176.82 3kl2 s TYR 111 N -2.23 1.83 0.00 0.56 1.13 -1.26 -4.68 117.35 112.70 3kl2 s TYR 111 Ca 0.70 -0.95 0.00 0.00 -1.41 0.00 0.00 57.07 55.41 3kl2 s TYR 111 Cb -0.25 -1.15 0.00 0.00 -1.10 0.00 0.00 41.96 39.47 3kl2 s TYR 111 CO 0.46 -0.02 0.00 0.41 -2.51 0.00 0.00 175.55 173.89 3kl2 n GLY 112 N -0.60 0.50 0.28 5.49 0.00 -1.26 -3.94 105.19 105.67 3kl2 n GLY 112 Ca -0.03 -0.79 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 3kl2 n GLY 112 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kl2 h ILE 113 N 0.00 1.24 0.00 -0.61 6.09 -2.02 -2.48 117.51 119.73 3kl2 h ILE 113 Ca 0.00 -1.03 -0.05 0.00 -1.37 0.00 0.00 64.86 62.42 3kl2 h ILE 113 Cb 0.00 0.92 -0.01 0.00 0.47 0.00 0.00 36.82 38.20 3kl2 h ILE 113 CO 0.00 0.36 -0.22 -0.07 -3.07 0.00 0.00 178.15 175.15 3kl2 h LEU 114 N 0.72 0.00 -1.36 2.19 3.38 -1.98 -0.91 115.31 117.35 3kl2 h LEU 114 Ca 0.14 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.32 3kl2 h LEU 114 Cb 0.47 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.14 3kl2 h LEU 114 CO 0.02 0.22 0.62 0.50 0.09 0.00 0.00 178.44 179.89 3kl2 h LYS 115 N 0.00 0.48 -0.16 1.13 3.64 -1.56 0.21 116.57 120.30 3kl2 h LYS 115 Ca -0.00 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.14 3kl2 h LYS 115 Cb 0.56 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3kl2 h LYS 115 CO 0.03 0.32 -0.72 0.78 -2.27 0.00 0.00 179.45 177.58 3kl2 h GLY 116 N 0.49 0.78 0.87 5.01 0.00 -1.30 -1.34 103.07 107.59 3kl2 h GLY 116 Ca 0.53 -1.07 0.03 0.00 0.00 0.00 0.00 47.33 46.82 3kl2 h GLY 116 CO -0.25 0.95 0.52 -2.08 0.00 0.00 0.00 176.54 175.68 3kl2 h VAL 117 N 0.50 1.12 0.29 4.60 2.07 -0.92 -1.89 116.25 122.02 3kl2 h VAL 117 Ca -0.04 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3kl2 h VAL 117 Cb 1.33 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3kl2 h VAL 117 CO 0.14 0.19 -0.14 0.58 0.02 0.00 0.00 177.57 178.36 3kl2 h VAL 118 N 1.01 0.59 -0.25 2.57 2.07 -1.04 -1.95 116.25 119.26 3kl2 h VAL 118 Ca 0.33 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 67.07 3kl2 h VAL 118 Cb 0.01 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3kl2 h VAL 118 CO -0.12 0.13 0.17 0.44 0.02 0.00 0.00 177.57 178.22 3kl2 h ASP 119 N -0.90 0.17 0.01 0.57 3.32 -1.27 -2.02 116.42 116.30 3kl2 h ASP 119 Ca -0.04 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3kl2 h ASP 119 Cb 0.51 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3kl2 h ASP 119 CO 0.06 0.11 -0.05 0.61 -1.72 0.00 0.00 179.24 178.26 3kl2 n GLY 120 N -1.53 0.20 3.67 2.75 0.00 -0.71 -4.96 105.19 104.60 3kl2 n GLY 120 Ca 0.02 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 3kl2 n GLY 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kl2 n LYS 121 N 0.39 -6.54 -3.11 1.61 5.02 -0.76 -4.97 118.16 109.81 3kl2 n LYS 121 Ca 0.17 0.74 -0.35 0.00 -2.02 0.00 0.00 58.31 56.84 3kl2 n LYS 121 Cb 0.42 -5.66 -0.06 0.00 -0.02 0.00 0.00 35.03 29.72 3kl2 n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kl2 s ALA 122 N -3.38 3.38 -1.25 7.82 0.00 -0.76 -4.45 121.76 123.11 3kl2 s ALA 122 Ca 0.39 0.12 -0.08 0.00 0.00 0.00 0.00 51.96 52.39 3kl2 s ALA 122 Cb -0.18 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.15 3kl2 s ALA 122 CO 0.77 0.33 1.08 1.19 0.00 0.00 0.00 175.76 179.13 3kl2 n PHE 123 N 0.32 -2.64 -2.31 0.00 3.01 -1.26 -4.81 117.46 109.77 3kl2 n PHE 123 Ca -0.00 0.92 -0.42 0.00 1.01 0.00 0.00 57.45 58.96 3kl2 n PHE 123 Cb 0.52 -4.70 -0.03 0.00 -0.01 0.00 0.00 39.48 35.26 3kl2 n PHE 123 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kl2 s VAL 124 N -3.29 3.64 0.36 -4.37 1.01 -1.26 -0.63 120.40 115.87 3kl2 s VAL 124 Ca 0.53 1.23 -0.28 0.00 0.00 0.00 0.00 61.98 63.46 3kl2 s VAL 124 Cb -0.24 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.25 3kl2 s VAL 124 CO 0.66 0.12 1.46 1.17 0.00 0.00 0.00 175.10 178.51 3kl2 n LYS 125 N 3.56 2.57 -0.98 2.72 4.81 0.02 -2.29 118.16 128.57 3kl2 n LYS 125 Ca 0.09 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 3kl2 n LYS 125 Cb 0.44 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 32.89 3kl2 n LYS 125 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kl2 n GLY 126 N 0.70 0.57 3.89 3.14 0.00 -1.26 -4.83 105.19 107.40 3kl2 n GLY 126 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 3kl2 n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kl2 s THR 127 N -2.41 3.84 0.24 2.61 -4.23 -0.97 -5.01 115.64 109.71 3kl2 s THR 127 Ca 0.00 -1.25 -0.04 0.00 -1.18 0.00 0.00 61.69 59.22 3kl2 s THR 127 Cb 0.00 -3.30 0.21 0.00 1.34 0.00 0.00 72.50 70.75 3kl2 s THR 127 CO 0.00 -0.19 1.76 -0.25 -0.54 0.00 0.00 174.62 175.39 3kl2 h TRP 128 N 1.16 0.62 -0.84 3.99 7.01 -1.96 -2.61 115.95 123.32 3kl2 h TRP 128 Ca -0.46 0.03 0.07 0.00 2.11 0.00 0.00 58.89 60.65 3kl2 h TRP 128 Cb 1.25 -0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 28.09 3kl2 h TRP 128 CO 0.50 0.16 0.55 0.78 -2.79 0.00 0.00 178.44 177.63 3kl2 h GLY 129 N 0.55 1.18 1.99 2.65 0.00 -1.93 -1.85 103.07 105.67 3kl2 h GLY 129 Ca 0.40 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3kl2 h GLY 129 CO -0.34 0.25 -0.00 0.00 0.00 0.00 0.00 176.54 176.44 3kl2 n ALA 130 N -2.42 2.29 -1.77 3.60 0.00 -1.01 -1.18 120.51 120.02 3kl2 n ALA 130 Ca 0.13 -0.02 -0.39 0.00 0.00 0.00 0.00 53.44 53.16 3kl2 n ALA 130 Cb 0.24 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 3kl2 n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kl2 s ALA 131 N -3.10 3.21 0.20 0.00 0.00 -0.70 -4.85 121.76 116.53 3kl2 s ALA 131 Ca 0.11 0.95 -0.31 0.00 0.00 0.00 0.00 51.96 52.71 3kl2 s ALA 131 Cb 0.12 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.78 3kl2 s ALA 131 CO 0.60 -0.45 1.46 0.42 0.00 0.00 0.00 175.76 177.79 3kl2 s ILE 132 N -1.38 2.78 0.41 0.00 1.01 -1.26 -1.77 121.20 120.98 3kl2 s ILE 132 Ca 0.55 0.61 -0.25 0.00 0.00 0.00 0.00 60.65 61.55 3kl2 s ILE 132 Cb -0.31 -3.39 -0.10 0.00 0.01 0.00 0.00 42.46 38.67 3kl2 s ILE 132 CO 0.39 0.08 1.20 0.55 0.00 0.00 0.00 174.94 177.15 3kl2 n VAL 133 N 3.02 2.48 -0.35 2.92 3.14 -0.37 -4.65 118.33 124.52 3kl2 n VAL 133 Ca 0.09 -0.50 -0.03 0.00 -2.96 0.00 0.00 64.34 60.95 3kl2 n VAL 133 Cb 0.40 -1.44 0.10 0.00 -1.06 0.00 0.00 33.84 31.84 3kl2 n VAL 133 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3kl2 h ASP 134 N 1.97 1.10 -0.69 6.55 3.32 -1.92 -0.89 116.42 125.86 3kl2 h ASP 134 Ca -0.46 -0.04 0.20 0.00 0.02 0.00 0.00 57.03 56.74 3kl2 h ASP 134 Cb 1.31 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.55 3kl2 h ASP 134 CO 0.59 0.81 0.55 -0.33 -1.72 0.00 0.00 179.24 179.14 3kl2 h GLU 135 N 1.29 0.00 -0.13 3.56 3.07 -1.99 -2.41 114.58 117.97 3kl2 h GLU 135 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3kl2 h GLU 135 Cb -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.79 3kl2 h GLU 135 CO -0.07 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.82 3kl2 n LEU 136 N -4.12 2.69 -4.49 1.33 4.77 -0.39 -5.00 117.00 111.79 3kl2 n LEU 136 Ca 0.14 -2.53 -0.57 0.00 -0.03 0.00 0.00 56.01 53.02 3kl2 n LEU 136 Cb 0.81 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 3kl2 n LEU 136 CO 0.35 0.64 0.49 0.00 -1.33 0.00 0.00 177.39 177.55 3kl2 n ALA 137 N -0.56 -3.45 -1.73 -1.18 0.00 -0.91 -4.79 120.51 107.89 3kl2 n ALA 137 Ca 0.11 0.57 -0.42 0.00 0.00 0.00 0.00 53.44 53.70 3kl2 n ALA 137 Cb 0.53 -1.75 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 3kl2 n ALA 137 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3kl2 n PRO 138 N 1.45 2.58 -4.30 0.00 -0.02 -1.26 -5.01 135.00 128.44 3kl2 n PRO 138 Ca 0.20 0.92 -0.16 0.00 -2.02 0.00 0.00 63.50 62.44 3kl2 n PRO 138 Cb 0.11 -2.68 -0.10 0.00 -0.02 0.00 0.00 33.50 30.81 3kl2 n PRO 138 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3kl2 s VAL 139 N 0.07 0.51 -0.34 -1.45 -7.23 -1.26 -5.02 120.40 105.68 3kl2 s VAL 139 Ca 0.66 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.51 3kl2 s VAL 139 Cb -0.53 -2.57 -0.14 0.00 0.56 0.00 0.00 36.38 33.71 3kl2 s VAL 139 CO 0.48 -0.05 1.12 0.59 -0.31 0.00 0.00 175.10 176.92 3kl2 n ASN 140 N -0.42 0.80 0.00 4.85 4.13 -1.26 -1.33 115.26 122.03 3kl2 n ASN 140 Ca -0.00 0.78 0.00 0.00 1.68 0.00 0.00 54.58 57.04 3kl2 n ASN 140 Cb 0.66 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 3kl2 n ASN 140 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kl2 n GLY 141 N 2.91 2.32 3.75 7.41 0.00 -1.26 -5.06 105.19 115.26 3kl2 n GLY 141 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3kl2 n GLY 141 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kl2 s ASP 142 N 0.40 4.58 -0.13 1.61 1.01 -0.44 -4.85 116.67 118.84 3kl2 s ASP 142 Ca 0.00 2.05 0.01 0.00 0.71 0.00 0.00 52.55 55.32 3kl2 s ASP 142 Cb 0.00 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.37 3kl2 s ASP 142 CO 0.00 -1.99 -0.16 -0.63 0.21 0.00 0.00 175.17 172.60 3kl2 s ILE 143 N -2.42 2.69 -0.33 0.77 1.01 -0.66 -4.90 121.20 117.35 3kl2 s ILE 143 Ca 0.67 -0.78 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 3kl2 s ILE 143 Cb -0.22 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.14 3kl2 s ILE 143 CO 0.47 0.53 0.17 -0.69 0.00 0.00 0.00 174.94 175.41 3kl2 s VAL 144 N 0.51 4.56 0.36 2.92 1.01 -1.26 -1.06 120.40 127.44 3kl2 s VAL 144 Ca -0.11 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 3kl2 s VAL 144 Cb -0.16 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 3kl2 s VAL 144 CO 0.04 -0.03 1.22 -0.63 0.00 0.00 0.00 175.10 175.71 3kl2 s ILE 145 N 1.59 2.98 0.07 2.22 -1.09 0.87 -4.94 121.20 122.89 3kl2 s ILE 145 Ca 0.04 0.90 0.10 0.00 -2.23 0.00 0.00 60.65 59.45 3kl2 s ILE 145 Cb -0.18 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 3kl2 s ILE 145 CO 0.06 0.15 -0.26 -1.61 -1.23 0.00 0.00 174.94 172.06 3kl2 s GLU 146 N -2.02 1.72 0.00 2.79 2.02 -1.26 -4.45 118.70 117.51 3kl2 s GLU 146 Ca 0.53 -1.16 0.00 0.00 0.02 0.00 0.00 54.97 54.36 3kl2 s GLU 146 Cb -0.35 -1.98 0.00 0.00 0.10 0.00 0.00 34.13 31.90 3kl2 s GLU 146 CO 0.45 0.50 0.00 0.41 0.02 0.00 0.00 175.26 176.64 3kl2 n GLY 147 N 1.50 0.61 3.68 -1.39 0.00 -1.26 -3.01 105.19 105.32 3kl2 n GLY 147 Ca -0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.37 3kl2 n GLY 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kl2 n LYS 148 N -1.18 2.18 0.00 1.61 4.81 -1.23 -4.64 118.16 119.71 3kl2 n LYS 148 Ca 0.00 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 3kl2 n LYS 148 Cb 0.00 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.42 3kl2 n LYS 148 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3kl2 n ARG 149 N 6.24 2.23 0.00 1.64 5.12 -1.26 -3.37 116.66 127.26 3kl2 n ARG 149 Ca 0.22 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 3kl2 n ARG 149 Cb 0.29 -0.82 0.00 0.00 -1.16 0.00 0.00 32.46 30.78 3kl2 n ARG 149 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kl2 n GLY 150 N 1.64 5.11 0.12 -0.13 0.00 -1.26 -5.02 105.19 105.65 3kl2 n GLY 150 Ca 0.00 -1.88 -0.16 0.00 0.00 0.00 0.00 46.02 43.98 3kl2 n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kl2 n LEU 151 N 0.00 2.23 -4.61 0.99 7.99 -1.26 -4.79 117.00 117.55 3kl2 n LEU 151 Ca 0.00 -0.06 -0.43 0.00 -0.01 0.00 0.00 56.01 55.51 3kl2 n LEU 151 Cb 0.00 -0.58 -0.03 0.00 -0.11 0.00 0.00 43.42 42.69 3kl2 n LEU 151 CO 0.00 0.82 0.81 -0.62 -1.51 0.00 0.00 177.39 176.89 3kl2 s ASP 152 N -6.32 6.71 0.52 -1.43 -1.08 -1.26 -4.41 116.67 109.41 3kl2 s ASP 152 Ca -0.28 0.65 0.31 0.00 -0.52 0.00 0.00 52.55 52.71 3kl2 s ASP 152 Cb 0.08 -2.48 1.45 0.00 -1.46 0.00 0.00 42.92 40.51 3kl2 s ASP 152 CO 0.67 -0.88 1.85 0.74 0.52 0.00 0.00 175.17 178.07 3kl2 h THR 153 N 5.83 0.52 0.00 1.71 2.02 -1.87 -0.75 112.91 120.37 3kl2 h THR 153 Ca -0.23 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3kl2 h THR 153 Cb 1.07 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3kl2 h THR 153 CO 1.00 0.01 -0.15 -0.26 0.37 0.00 0.00 175.52 176.49 3kl2 h PHE 154 N 0.06 0.00 0.00 3.16 0.04 -1.91 -3.23 116.94 115.06 3kl2 h PHE 154 Ca 0.48 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.21 3kl2 h PHE 154 Cb 1.82 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.97 3kl2 h PHE 154 CO -0.00 0.00 -0.21 0.00 -0.60 0.00 0.00 178.31 177.50 3kl2 h ALA 155 N 2.10 0.90 0.00 2.45 0.00 -1.54 -3.38 119.26 119.80 3kl2 h ALA 155 Ca 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 3kl2 h ALA 155 Cb 0.95 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 18.35 3kl2 h ALA 155 CO 0.00 0.26 -0.98 -1.13 0.00 0.00 0.00 179.25 177.40 3kl2 n SER 156 N -3.20 0.87 -3.56 0.00 3.41 -1.25 -5.04 113.62 104.85 3kl2 n SER 156 Ca 0.02 -2.00 -0.19 0.00 -0.26 0.00 0.00 58.87 56.44 3kl2 n SER 156 Cb 0.55 -0.27 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 3kl2 n SER 156 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kl2 s THR 157 N 0.00 0.07 -0.96 6.66 -4.23 -1.22 -3.47 115.64 112.49 3kl2 s THR 157 Ca 0.31 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.95 3kl2 s THR 157 Cb 0.35 -2.48 0.61 0.00 1.34 0.00 0.00 72.50 72.32 3kl2 s THR 157 CO -0.15 0.00 1.47 -0.46 -0.54 0.00 0.00 174.62 174.94 3kl2 n ASN 158 N -1.35 4.21 0.07 3.99 0.23 -1.16 -4.56 115.26 116.67 3kl2 n ASN 158 Ca 0.05 -2.48 -0.11 0.00 -0.53 0.00 0.00 54.58 51.50 3kl2 n ASN 158 Cb 0.63 -0.56 -0.05 0.00 -2.08 0.00 0.00 39.78 37.72 3kl2 n ASN 158 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3kl2 h LEU 159 N 3.27 -0.33 -0.26 -4.53 5.85 -1.87 -0.65 115.31 116.78 3kl2 h LEU 159 Ca 0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3kl2 h LEU 159 Cb 1.37 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 3kl2 h LEU 159 CO 0.26 -0.17 0.14 -0.78 -0.34 0.00 0.00 178.44 177.55 3kl2 h ASP 160 N -0.22 0.22 -0.05 1.25 1.82 -1.89 0.25 116.42 117.80 3kl2 h ASP 160 Ca 0.03 0.01 0.02 0.00 -0.39 0.00 0.00 57.03 56.70 3kl2 h ASP 160 Cb 0.25 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.20 3kl2 h ASP 160 CO -0.10 0.16 -0.10 0.15 -1.61 0.00 0.00 179.24 177.75 3kl2 h PHE 161 N 0.29 -0.24 -0.23 0.28 3.57 -1.81 -0.11 116.94 118.69 3kl2 h PHE 161 Ca 0.10 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3kl2 h PHE 161 Cb 0.01 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3kl2 h PHE 161 CO -0.09 -0.15 0.05 0.82 -2.23 0.00 0.00 178.31 176.71 3kl2 h ILE 162 N -0.14 1.22 -0.20 1.41 2.04 -0.75 0.12 117.51 121.20 3kl2 h ILE 162 Ca 0.05 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.23 3kl2 h ILE 162 Cb 0.22 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 3kl2 h ILE 162 CO -0.13 0.23 -0.06 -0.07 0.00 0.00 0.00 178.15 178.12 3kl2 h LEU 163 N 0.19 -0.21 -0.66 1.44 3.38 -0.30 -0.92 115.31 118.23 3kl2 h LEU 163 Ca 0.07 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3kl2 h LEU 163 Cb 0.30 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3kl2 h LEU 163 CO 0.00 -0.07 0.13 0.03 0.09 0.00 0.00 178.44 178.62 3kl2 h ARG 164 N -0.01 1.08 -0.40 1.13 2.47 -0.87 -1.83 114.38 115.94 3kl2 h ARG 164 Ca 0.10 -0.28 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 3kl2 h ARG 164 Cb 0.16 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 28.33 3kl2 h ARG 164 CO -0.21 0.98 0.25 1.03 0.56 0.00 0.00 179.97 182.58 3kl2 h SER 165 N 1.00 0.47 0.00 7.04 0.87 -0.44 -2.23 113.55 120.25 3kl2 h SER 165 Ca 0.20 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3kl2 h SER 165 Cb 0.41 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 3kl2 h SER 165 CO 0.01 0.36 0.00 0.29 -0.53 0.00 0.00 176.83 176.96 3kl2 n LYS 166 N -4.79 0.80 -2.51 2.24 5.02 -0.38 -4.89 118.16 113.66 3kl2 n LYS 166 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.13 3kl2 n LYS 166 Cb 0.04 -1.38 0.01 0.00 -0.02 0.00 0.00 35.03 33.67 3kl2 n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kl2 n GLY 167 N 0.53 -0.28 3.68 0.72 0.00 -0.84 -4.91 105.19 104.09 3kl2 n GLY 167 Ca 0.15 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3kl2 n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kl2 s VAL 168 N -2.89 5.04 -0.22 1.61 1.01 -0.73 -4.58 120.40 119.65 3kl2 s VAL 168 Ca 0.09 1.23 0.05 0.00 0.00 0.00 0.00 61.98 63.35 3kl2 s VAL 168 Cb -0.04 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 3kl2 s VAL 168 CO 0.11 0.15 0.21 -0.90 0.00 0.00 0.00 175.10 174.67 3kl2 n ASP 169 N 4.70 0.81 -4.20 3.32 5.68 -0.93 -4.59 116.55 121.34 3kl2 n ASP 169 Ca -0.02 -0.53 -0.34 0.00 -0.50 0.00 0.00 54.79 53.41 3kl2 n ASP 169 Cb 0.50 1.04 -0.15 0.00 -1.14 0.00 0.00 41.12 41.37 3kl2 n ASP 169 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3kl2 s THR 170 N -1.65 2.70 -0.12 2.12 2.01 -0.84 -0.16 115.64 119.71 3kl2 s THR 170 Ca 0.01 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 3kl2 s THR 170 Cb 0.04 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 3kl2 s THR 170 CO 0.22 0.36 -0.06 0.27 -0.69 0.00 0.00 174.62 174.72 3kl2 s ILE 171 N 1.34 3.75 -0.34 1.82 -4.36 -0.36 -1.68 121.20 121.37 3kl2 s ILE 171 Ca 0.03 -0.43 -0.11 0.00 -0.26 0.00 0.00 60.65 59.88 3kl2 s ILE 171 Cb -0.15 -2.59 0.01 0.00 1.25 0.00 0.00 42.46 40.98 3kl2 s ILE 171 CO -0.07 0.54 0.19 -0.69 0.24 0.00 0.00 174.94 175.15 3kl2 s VAL 172 N -0.16 4.68 -0.12 8.37 1.01 0.05 -1.10 120.40 133.13 3kl2 s VAL 172 Ca 0.02 -0.57 -0.10 0.00 0.00 0.00 0.00 61.98 61.33 3kl2 s VAL 172 Cb -0.13 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3kl2 s VAL 172 CO 0.03 -0.07 0.21 -0.76 0.00 0.00 0.00 175.10 174.51 3kl2 s LEU 173 N 1.60 4.35 0.27 3.92 1.43 0.49 -0.64 118.68 130.10 3kl2 s LEU 173 Ca 0.04 0.51 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 3kl2 s LEU 173 Cb -0.18 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 3kl2 s LEU 173 CO 0.07 0.30 0.10 -0.83 0.23 0.00 0.00 176.35 176.22 3kl2 s GLY 174 N -0.53 1.80 0.00 -3.19 0.00 -0.91 -1.45 107.32 103.05 3kl2 s GLY 174 Ca 0.15 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 43.02 3kl2 s GLY 174 CO 0.04 -1.61 0.00 0.61 0.00 0.00 0.00 173.10 172.15 3kl2 n GLY 175 N -0.49 0.27 3.29 0.20 0.00 0.98 -1.32 105.19 108.11 3kl2 n GLY 175 Ca -0.00 -2.12 -0.22 0.00 0.00 0.00 0.00 46.02 43.67 3kl2 n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl2 s PHE 176 N 0.00 1.72 0.18 1.61 0.08 -0.57 -2.11 117.98 118.89 3kl2 s PHE 176 Ca 0.00 -0.45 -0.08 0.00 0.12 0.00 0.00 56.93 56.52 3kl2 s PHE 176 Cb 0.00 -0.91 -0.06 0.00 -0.57 0.00 0.00 43.02 41.47 3kl2 s PHE 176 CO 0.00 0.22 0.47 -0.51 -0.10 0.00 0.00 175.22 175.30 3kl2 s LEU 177 N -2.16 4.23 0.14 -0.37 1.43 -1.26 -4.06 118.68 116.64 3kl2 s LEU 177 Ca 0.09 0.79 -0.21 0.00 -1.03 0.00 0.00 54.13 53.77 3kl2 s LEU 177 Cb -0.08 -3.45 0.02 0.00 0.03 0.00 0.00 46.19 42.71 3kl2 s LEU 177 CO 0.05 0.01 1.66 0.74 0.23 0.00 0.00 176.35 179.04 3kl2 h THR 178 N 2.15 0.56 -0.42 5.49 2.02 -1.01 -1.57 112.91 120.13 3kl2 h THR 178 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3kl2 h THR 178 Cb 1.17 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3kl2 h THR 178 CO 0.70 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 176.13 3kl2 n ASN 179 N -5.31 2.52 0.00 4.18 6.94 -1.26 -2.94 115.26 119.39 3kl2 n ASN 179 Ca -0.01 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.60 3kl2 n ASN 179 Cb 0.23 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 3kl2 n ASN 179 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kl2 h VAL 182 N 0.49 1.22 -0.30 0.00 2.07 -1.45 -1.24 116.25 117.04 3kl2 h VAL 182 Ca -0.05 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 3kl2 h VAL 182 Cb 1.38 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3kl2 h VAL 182 CO 0.15 0.27 -0.00 -0.08 0.02 0.00 0.00 177.57 177.93 3kl2 h GLU 183 N 0.79 0.54 -0.43 1.57 4.81 -1.37 -1.21 114.58 119.28 3kl2 h GLU 183 Ca 0.19 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3kl2 h GLU 183 Cb 0.20 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3kl2 h GLU 183 CO -0.02 0.68 0.25 0.77 -0.73 0.00 0.00 179.01 179.97 3kl2 h SER 184 N 0.33 0.52 -0.64 1.04 0.02 -0.93 -0.51 113.55 113.38 3kl2 h SER 184 Ca 0.09 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.92 3kl2 h SER 184 Cb 0.44 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 3kl2 h SER 184 CO 0.02 0.43 0.18 0.74 -1.14 0.00 0.00 176.83 177.05 3kl2 h THR 185 N 0.56 1.25 -0.39 -2.27 2.02 -1.13 -1.91 112.91 111.04 3kl2 h THR 185 Ca 0.15 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.43 3kl2 h THR 185 Cb 0.01 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3kl2 h THR 185 CO -0.03 0.34 0.19 -0.03 0.37 0.00 0.00 175.52 176.36 3kl2 h MET 186 N 0.93 0.55 -0.44 6.66 -1.53 -1.06 -0.10 114.93 119.94 3kl2 h MET 186 Ca 0.20 -0.08 -0.03 0.00 -3.44 0.00 0.00 59.70 56.35 3kl2 h MET 186 Cb 0.33 -0.10 -0.02 0.00 -0.55 0.00 0.00 31.60 31.26 3kl2 h MET 186 CO -0.00 0.48 0.16 0.00 0.14 0.00 0.00 176.91 177.69 3kl2 h ARG 187 N 0.49 0.67 -0.13 0.39 3.08 -0.77 -1.76 114.38 116.34 3kl2 h ARG 187 Ca 0.13 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3kl2 h ARG 187 Cb 0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3kl2 h ARG 187 CO -0.02 0.63 -0.39 1.15 -1.07 0.00 0.00 179.97 180.28 3kl2 h THR 188 N 0.57 1.30 -0.38 2.04 2.02 -1.32 -1.94 112.91 115.19 3kl2 h THR 188 Ca 0.15 -1.47 0.03 0.00 0.77 0.00 0.00 66.41 65.89 3kl2 h THR 188 Cb 0.22 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 3kl2 h THR 188 CO -0.01 0.44 0.18 1.23 0.37 0.00 0.00 175.52 177.73 3kl2 h GLY 189 N 1.17 0.52 0.98 2.16 0.00 -0.67 -1.16 103.07 106.05 3kl2 h GLY 189 Ca 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 3kl2 h GLY 189 CO 0.06 0.08 -0.02 -1.82 0.00 0.00 0.00 176.54 174.85 3kl2 h TYR 190 N 0.36 -0.04 -0.87 5.60 3.20 -1.23 -1.89 116.97 122.10 3kl2 h TYR 190 Ca 0.17 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.20 3kl2 h TYR 190 Cb 0.09 0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.31 3kl2 h TYR 190 CO -0.11 -0.00 0.57 0.93 -1.64 0.00 0.00 178.16 177.90 3kl2 h GLU 191 N -0.07 0.55 -0.12 1.82 4.39 -0.70 -0.71 114.58 119.74 3kl2 h GLU 191 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3kl2 h GLU 191 Cb 0.06 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3kl2 h GLU 191 CO 0.01 0.36 0.00 0.54 -1.16 0.00 0.00 179.01 178.76 3kl2 n ARG 192 N -4.54 1.81 -0.72 2.33 1.74 -0.50 -4.95 116.66 111.83 3kl2 n ARG 192 Ca 0.18 -1.20 0.00 0.00 -0.77 0.00 0.00 57.85 56.05 3kl2 n ARG 192 Cb 0.55 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.55 3kl2 n ARG 192 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kl2 n GLY 193 N 1.19 0.60 3.79 -0.13 0.00 -0.27 -5.04 105.19 105.33 3kl2 n GLY 193 Ca 0.17 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3kl2 n GLY 193 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl2 s PHE 194 N -2.00 2.85 -0.46 1.61 0.08 -0.96 -4.99 117.98 114.10 3kl2 s PHE 194 Ca 0.00 1.53 -0.28 0.00 0.12 0.00 0.00 56.93 58.30 3kl2 s PHE 194 Cb 0.00 -3.10 0.03 0.00 -0.57 0.00 0.00 43.02 39.38 3kl2 s PHE 194 CO 0.00 -1.30 1.09 0.50 -0.10 0.00 0.00 175.22 175.42 3kl2 s ARG 195 N -3.86 3.72 -0.17 0.44 3.52 0.77 -4.55 118.95 118.82 3kl2 s ARG 195 Ca 0.66 0.53 -0.13 0.00 -0.13 0.00 0.00 55.73 56.66 3kl2 s ARG 195 Cb -0.18 -3.90 -0.05 0.00 -1.56 0.00 0.00 34.95 29.26 3kl2 s ARG 195 CO 0.35 -1.31 0.27 0.08 -0.81 0.00 0.00 175.30 173.88 3kl2 s VAL 196 N 4.26 5.32 -0.13 7.11 1.01 -1.26 -1.22 120.40 135.48 3kl2 s VAL 196 Ca 0.46 0.50 0.01 0.00 0.00 0.00 0.00 61.98 62.95 3kl2 s VAL 196 Cb -0.08 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 3kl2 s VAL 196 CO 0.29 0.39 -0.15 -0.63 0.00 0.00 0.00 175.10 175.00 3kl2 s ILE 197 N 0.47 2.81 -0.17 2.22 1.01 -0.26 -0.05 121.20 127.24 3kl2 s ILE 197 Ca 0.15 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 3kl2 s ILE 197 Cb -0.13 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 3kl2 s ILE 197 CO 0.03 0.53 -0.04 0.42 0.00 0.00 0.00 174.94 175.88 3kl2 s THR 198 N 0.44 3.83 -0.81 2.92 -4.23 -0.88 -0.38 115.64 116.53 3kl2 s THR 198 Ca -0.11 -0.37 -0.24 0.00 -1.18 0.00 0.00 61.69 59.78 3kl2 s THR 198 Cb -0.16 -2.69 0.05 0.00 1.34 0.00 0.00 72.50 71.04 3kl2 s THR 198 CO 0.05 0.48 1.23 -0.76 -0.54 0.00 0.00 174.62 175.09 3kl2 s LEU 199 N 0.54 3.71 0.59 4.79 1.43 -0.53 -1.46 118.68 127.74 3kl2 s LEU 199 Ca -0.03 -0.97 0.36 0.00 -1.03 0.00 0.00 54.13 52.46 3kl2 s LEU 199 Cb -0.14 -2.51 1.85 0.00 0.03 0.00 0.00 46.19 45.41 3kl2 s LEU 199 CO 0.03 -1.59 2.19 0.71 0.23 0.00 0.00 176.35 177.91 3kl2 h THR 200 N 6.18 0.23 -0.24 5.49 1.35 -1.55 -0.39 112.91 123.98 3kl2 h THR 200 Ca -0.12 -0.27 -0.08 0.00 -0.55 0.00 0.00 66.41 65.38 3kl2 h THR 200 Cb 1.04 1.22 -0.05 0.00 -1.73 0.00 0.00 68.15 68.63 3kl2 h THR 200 CO 1.28 0.04 -0.08 -0.90 -0.25 0.00 0.00 175.52 175.60 3kl2 n ASP 201 N -3.33 2.81 -0.90 5.36 5.75 -1.26 -4.39 116.55 120.59 3kl2 n ASP 201 Ca -0.02 -3.46 0.05 0.00 -0.01 0.00 0.00 54.79 51.35 3kl2 n ASP 201 Cb 0.17 -0.57 0.12 0.00 -1.03 0.00 0.00 41.12 39.81 3kl2 n ASP 201 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kl2 s VAL 203 N -1.73 1.56 0.08 0.00 -7.23 -1.19 -0.01 120.40 111.88 3kl2 s VAL 203 Ca 0.33 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.30 3kl2 s VAL 203 Cb 0.34 -1.87 0.03 0.00 0.56 0.00 0.00 36.38 35.45 3kl2 s VAL 203 CO -0.10 -0.54 0.40 0.00 -0.31 0.00 0.00 175.10 174.55 3kl2 s ALA 204 N -2.72 -0.94 0.28 1.32 0.00 -0.89 -4.83 121.76 113.97 3kl2 s ALA 204 Ca 0.17 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 3kl2 s ALA 204 Cb -0.02 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.60 3kl2 s ALA 204 CO 0.05 -0.55 0.37 0.00 0.00 0.00 0.00 175.76 175.63 3kl2 s ALA 205 N -3.15 0.68 -0.90 0.00 0.00 -1.26 -0.50 121.76 116.63 3kl2 s ALA 205 Ca -0.01 -1.43 0.19 0.00 0.00 0.00 0.00 51.96 50.71 3kl2 s ALA 205 Cb 0.01 1.22 0.80 0.00 0.00 0.00 0.00 23.12 25.15 3kl2 s ALA 205 CO -0.07 -0.75 1.61 0.25 0.00 0.00 0.00 175.76 176.80 3kl2 n THR 206 N -0.44 0.77 -3.63 0.00 -2.24 -1.26 -4.49 114.28 102.99 3kl2 n THR 206 Ca 0.01 0.17 -0.16 0.00 -2.27 0.00 0.00 64.05 61.81 3kl2 n THR 206 Cb 0.63 -0.91 -0.07 0.00 -2.10 0.00 0.00 70.33 67.87 3kl2 n THR 206 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kl2 s SER 207 N -3.28 -0.47 0.28 3.42 1.04 -1.26 -4.74 113.70 108.70 3kl2 s SER 207 Ca 0.08 0.50 0.01 0.00 0.48 0.00 0.00 55.95 57.01 3kl2 s SER 207 Cb 0.11 0.49 0.42 0.00 0.10 0.00 0.00 66.02 67.15 3kl2 s SER 207 CO 0.35 -0.52 1.77 -0.61 0.98 0.00 0.00 173.24 175.22 3kl2 h GLN 208 N 3.50 0.64 0.31 4.02 5.75 -1.96 0.73 115.11 128.11 3kl2 h GLN 208 Ca -0.28 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.02 3kl2 h GLN 208 Cb 1.16 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.64 3kl2 h GLN 208 CO 0.38 0.71 -0.15 1.49 -2.65 0.00 0.00 178.83 178.61 3kl2 h GLU 209 N 0.59 -0.41 -0.86 1.69 4.81 -1.99 0.67 114.58 119.09 3kl2 h GLU 209 Ca 0.11 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3kl2 h GLU 209 Cb 0.49 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 3kl2 h GLU 209 CO 0.03 -0.20 0.57 0.93 -0.73 0.00 0.00 179.01 179.61 3kl2 h GLU 210 N -0.53 1.05 -0.07 1.92 5.08 -1.87 -2.02 114.58 118.14 3kl2 h GLU 210 Ca -0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3kl2 h GLU 210 Cb 0.40 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3kl2 h GLU 210 CO 0.07 0.70 -0.02 1.25 -1.00 0.00 0.00 179.01 180.01 3kl2 h HIS 211 N 1.08 0.15 -0.54 4.33 2.76 -0.58 -2.32 115.15 120.02 3kl2 h HIS 211 Ca 0.34 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.40 3kl2 h HIS 211 Cb 0.01 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 3kl2 h HIS 211 CO -0.00 0.46 0.05 -0.91 -1.30 0.00 0.00 177.93 176.23 3kl2 h ASN 212 N -0.21 0.90 -0.28 3.26 2.35 -0.61 -2.63 115.58 118.36 3kl2 h ASN 212 Ca 0.02 -0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 55.44 3kl2 h ASN 212 Cb 0.41 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3kl2 h ASN 212 CO 0.01 0.95 -0.01 0.78 -1.65 0.00 0.00 177.43 177.51 3kl2 h ASN 213 N 0.81 0.50 -0.56 5.81 2.35 -1.42 -0.19 115.58 122.87 3kl2 h ASN 213 Ca 0.16 -0.32 0.11 0.00 -0.55 0.00 0.00 56.30 55.70 3kl2 h ASN 213 Cb 0.46 -0.13 -0.09 0.00 0.05 0.00 0.00 38.32 38.61 3kl2 h ASN 213 CO 0.02 0.69 0.08 0.00 -1.65 0.00 0.00 177.43 176.57 3kl2 h ALA 214 N 0.82 0.62 -0.24 -0.83 0.00 -1.28 0.44 119.26 118.80 3kl2 h ALA 214 Ca 0.08 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 3kl2 h ALA 214 Cb 0.44 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3kl2 h ALA 214 CO 0.02 -0.34 -0.55 0.82 0.00 0.00 0.00 179.25 179.20 3kl2 h ILE 215 N 0.20 1.30 0.09 0.00 2.04 -1.25 -0.65 117.51 119.24 3kl2 h ILE 215 Ca 0.29 -1.77 -0.14 0.00 1.00 0.00 0.00 64.86 64.24 3kl2 h ILE 215 Cb 0.44 1.70 0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3kl2 h ILE 215 CO -0.41 0.56 -0.61 0.28 0.00 0.00 0.00 178.15 177.97 3kl2 h SER 216 N 0.55 0.38 0.09 1.72 0.02 -0.49 -3.35 113.55 112.47 3kl2 h SER 216 Ca 0.01 -0.93 -0.31 0.00 -0.84 0.00 0.00 61.79 59.72 3kl2 h SER 216 Cb 1.13 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 3kl2 h SER 216 CO 0.11 1.28 -1.69 1.88 -1.14 0.00 0.00 176.83 177.28 3kl2 h TYR 217 N -0.46 0.36 0.00 3.45 0.05 -1.00 -3.43 116.97 115.93 3kl2 h TYR 217 Ca -0.10 -0.26 -0.34 0.00 0.05 0.00 0.00 58.73 58.08 3kl2 h TYR 217 Cb 1.45 -0.01 -0.06 0.00 1.01 0.00 0.00 36.73 39.12 3kl2 h TYR 217 CO 0.21 1.66 -2.28 -0.25 -1.05 0.00 0.00 178.16 176.45 3kl2 n ASP 218 N -3.83 1.93 -0.29 3.88 8.00 -0.35 -4.48 116.55 121.43 3kl2 n ASP 218 Ca -0.30 -0.10 0.02 0.00 0.71 0.00 0.00 54.79 55.12 3kl2 n ASP 218 Cb 0.92 -0.11 0.16 0.00 -0.02 0.00 0.00 41.12 42.07 3kl2 n ASP 218 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3kl2 h PHE 219 N 0.00 0.86 0.00 1.24 0.05 -1.44 -1.52 116.94 116.14 3kl2 h PHE 219 Ca -0.50 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.32 3kl2 h PHE 219 Cb 1.84 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 39.53 3kl2 h PHE 219 CO 0.02 0.37 0.00 -1.35 -0.18 0.00 0.00 178.31 177.17 3kl2 h PRO 220 N 0.81 0.00 -0.03 1.51 0.11 -1.78 -0.15 132.00 132.46 3kl2 h PRO 220 Ca 0.39 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.29 3kl2 h PRO 220 Cb 0.33 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 3kl2 h PRO 220 CO -0.23 0.00 -0.86 0.52 -0.21 0.00 0.00 178.00 177.21 3kl2 h MET 221 N 0.00 0.39 -0.01 1.05 2.86 -1.50 -3.37 114.93 114.34 3kl2 h MET 221 Ca 0.00 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 3kl2 h MET 221 Cb 0.36 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3kl2 h MET 221 CO 0.00 1.05 0.00 1.19 1.06 0.00 0.00 176.91 180.21 3kl2 n PHE 222 N -3.77 0.01 -3.90 -0.22 3.72 -0.68 -5.07 117.46 107.55 3kl2 n PHE 222 Ca -0.06 -0.09 -0.09 0.00 -0.05 0.00 0.00 57.45 57.16 3kl2 n PHE 222 Cb 0.79 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.31 3kl2 n PHE 222 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kl2 s SER 223 N -0.29 0.08 -0.48 4.37 1.04 -0.16 -4.55 113.70 113.71 3kl2 s SER 223 Ca 0.02 -1.04 -0.13 0.00 0.48 0.00 0.00 55.95 55.28 3kl2 s SER 223 Cb 0.01 0.75 0.10 0.00 0.10 0.00 0.00 66.02 66.98 3kl2 s SER 223 CO 0.02 -1.45 0.39 -0.69 0.98 0.00 0.00 173.24 172.48 3kl2 s VAL 224 N -3.10 4.88 0.07 5.02 1.01 0.93 -4.56 120.40 124.65 3kl2 s VAL 224 Ca 0.18 -1.35 -0.31 0.00 0.00 0.00 0.00 61.98 60.51 3kl2 s VAL 224 Cb -0.04 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 3kl2 s VAL 224 CO 0.11 -0.67 1.23 -2.84 0.00 0.00 0.00 175.10 172.94 3kl2 s PRO 225 N 1.55 4.41 0.10 2.72 0.02 -1.26 -2.07 135.00 140.47 3kl2 s PRO 225 Ca 0.04 1.82 -0.09 0.00 0.02 0.00 0.00 61.00 62.79 3kl2 s PRO 225 Cb -0.26 -3.33 -0.00 0.00 0.02 0.00 0.00 34.50 30.93 3kl2 s PRO 225 CO 0.04 -0.29 0.20 -1.64 -0.33 0.00 0.00 177.00 174.98 3kl2 s MET 226 N 1.07 0.88 0.39 5.54 -1.94 -0.54 -4.93 119.30 119.77 3kl2 s MET 226 Ca 0.60 -0.99 -0.06 0.00 -1.71 0.00 0.00 55.69 53.53 3kl2 s MET 226 Cb -0.31 0.35 -0.05 0.00 2.01 0.00 0.00 34.83 36.83 3kl2 s MET 226 CO 0.29 -0.29 0.69 0.95 -0.01 0.00 0.00 175.02 176.66 3kl2 s THR 227 N -3.88 4.93 0.29 2.05 -4.23 -1.26 -1.37 115.64 112.16 3kl2 s THR 227 Ca 0.07 0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.81 3kl2 s THR 227 Cb 0.05 -3.79 0.28 0.00 1.34 0.00 0.00 72.50 70.38 3kl2 s THR 227 CO -0.10 -0.58 1.71 0.77 -0.54 0.00 0.00 174.62 175.88 3kl2 h SER 228 N 0.97 0.39 -0.81 3.99 4.64 -1.92 -0.82 113.55 119.98 3kl2 h SER 228 Ca -0.48 0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 3kl2 h SER 228 Cb 1.20 0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.35 3kl2 h SER 228 CO 0.63 0.05 0.48 0.00 -0.87 0.00 0.00 176.83 177.12 3kl2 h ALA 229 N 1.68 1.30 0.22 5.18 0.00 -1.95 0.60 119.26 126.29 3kl2 h ALA 229 Ca 0.55 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 55.03 3kl2 h ALA 229 Cb 0.99 -0.33 0.03 0.00 0.00 0.00 0.00 17.79 18.48 3kl2 h ALA 229 CO -0.49 0.59 -1.42 -0.44 0.00 0.00 0.00 179.25 177.48 3kl2 h ASP 230 N 1.13 0.77 -0.46 0.00 3.32 -1.74 0.36 116.42 119.79 3kl2 h ASP 230 Ca 0.29 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3kl2 h ASP 230 Cb -0.02 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3kl2 h ASP 230 CO -0.05 1.63 0.30 0.58 -1.72 0.00 0.00 179.24 179.98 3kl2 h VAL 231 N 0.14 1.12 -0.66 -1.35 2.07 -0.93 -0.08 116.25 116.56 3kl2 h VAL 231 Ca -0.23 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3kl2 h VAL 231 Cb 2.12 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 3kl2 h VAL 231 CO 0.26 0.12 0.43 0.40 0.02 0.00 0.00 177.57 178.81 3kl2 h ILE 232 N 0.63 1.16 -0.79 4.57 2.04 0.21 0.10 117.51 125.43 3kl2 h ILE 232 Ca 0.17 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3kl2 h ILE 232 Cb -0.06 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.18 3kl2 h ILE 232 CO -0.04 0.16 0.34 0.00 0.00 0.00 0.00 178.15 178.61 3kl2 h ALA 233 N 1.25 1.11 -0.05 1.87 0.00 -0.67 -2.72 119.26 120.04 3kl2 h ALA 233 Ca 0.24 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3kl2 h ALA 233 Cb -0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3kl2 h ALA 233 CO -0.06 0.65 -0.40 0.00 0.00 0.00 0.00 179.25 179.44 3kl2 h ALA 234 N 1.23 1.24 0.00 0.00 0.00 -0.44 -2.96 119.26 118.33 3kl2 h ALA 234 Ca 0.27 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3kl2 h ALA 234 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kl2 h ALA 234 CO -0.03 0.54 -0.45 -0.07 0.00 0.00 0.00 179.25 179.24 3kl2 h LEU 235 N 0.09 0.00 -1.06 0.00 3.38 -0.70 -3.38 115.31 113.64 3kl2 h LEU 235 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kl2 h LEU 235 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3kl2 h LEU 235 CO 0.06 0.45 0.00 -0.62 0.09 0.00 0.00 178.44 178.42