#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 2.00 -0.34 4.31 1.43 -1.26 -5.11 118.68 119.71 3kl2 s LEU 38 Ca 0.00 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.54 3kl2 s LEU 38 Cb 0.00 -1.18 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 3kl2 s LEU 38 CO 0.00 0.21 0.24 -0.62 0.23 0.00 0.00 176.35 176.41 3kl2 s ASP 39 N -0.12 6.06 0.28 2.29 3.68 -1.26 -4.98 116.67 122.62 3kl2 s ASP 39 Ca -0.02 -0.40 -0.03 0.00 2.13 0.00 0.00 52.55 54.23 3kl2 s ASP 39 Cb -0.12 -2.14 0.41 0.00 -1.45 0.00 0.00 42.92 39.62 3kl2 s ASP 39 CO 0.03 -0.23 1.93 -0.65 0.13 0.00 0.00 175.17 176.38 3kl2 h PRO 40 N 8.48 1.15 0.00 4.34 0.11 -1.93 -0.81 132.00 143.33 3kl2 h PRO 40 Ca -0.31 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3kl2 h PRO 40 Cb 1.16 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3kl2 h PRO 40 CO 0.63 0.76 0.00 0.00 -0.21 0.00 0.00 178.00 179.18 3kl2 n ALA 41 N -2.39 2.31 -1.03 -0.75 0.00 -1.26 -3.30 120.51 114.10 3kl2 n ALA 41 Ca 0.12 -0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.45 3kl2 n ALA 41 Cb 0.08 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.22 3kl2 n ALA 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kl2 n ARG 42 N -0.97 0.97 -4.40 0.00 1.74 -0.36 -4.63 116.66 109.02 3kl2 n ARG 42 Ca 0.16 -1.28 -0.26 0.00 -0.77 0.00 0.00 57.85 55.70 3kl2 n ARG 42 Cb 0.07 -0.82 -0.11 0.00 -1.02 0.00 0.00 32.46 30.59 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 -0.81 2.60 0.00 0.55 2.01 -0.94 -0.76 115.64 118.29 3kl2 s THR 43 Ca 0.06 -2.05 -0.09 0.00 0.31 0.00 0.00 61.69 59.92 3kl2 s THR 43 Cb 0.06 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.28 3kl2 s THR 43 CO 0.01 -0.20 0.17 0.00 -0.69 0.00 0.00 174.62 173.91 3kl2 s ALA 44 N -1.92 -0.41 -0.29 7.40 0.00 -0.21 -4.30 121.76 122.03 3kl2 s ALA 44 Ca 0.24 -0.07 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 3kl2 s ALA 44 Cb -0.07 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3kl2 s ALA 44 CO 0.13 -0.23 0.45 0.42 0.00 0.00 0.00 175.76 176.52 3kl2 s ILE 45 N -1.50 5.10 -0.30 0.00 -1.09 -0.91 -0.10 121.20 122.41 3kl2 s ILE 45 Ca -0.14 0.61 -0.06 0.00 -2.23 0.00 0.00 60.65 58.84 3kl2 s ILE 45 Cb -0.07 -3.80 0.02 0.00 -1.58 0.00 0.00 42.46 37.03 3kl2 s ILE 45 CO 0.02 0.05 0.07 -0.69 -1.23 0.00 0.00 174.94 173.16 3kl2 s VAL 46 N 2.22 3.80 -0.35 2.92 1.01 0.61 0.25 120.40 130.86 3kl2 s VAL 46 Ca 0.18 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.20 3kl2 s VAL 46 Cb -0.16 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.22 3kl2 s VAL 46 CO 0.10 0.02 0.19 -0.76 0.00 0.00 0.00 175.10 174.65 3kl2 s LEU 47 N 1.45 4.47 -0.32 3.92 1.43 0.52 -2.20 118.68 127.95 3kl2 s LEU 47 Ca 0.01 -0.77 -0.15 0.00 -1.03 0.00 0.00 54.13 52.19 3kl2 s LEU 47 Cb -0.18 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 3kl2 s LEU 47 CO 0.02 -0.30 0.35 -0.63 0.23 0.00 0.00 176.35 176.02 3kl2 s ILE 48 N 1.59 5.18 -1.43 -0.59 1.01 0.19 -0.91 121.20 126.24 3kl2 s ILE 48 Ca 0.03 0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 3kl2 s ILE 48 Cb -0.18 -3.78 0.04 0.00 0.01 0.00 0.00 42.46 38.55 3kl2 s ILE 48 CO 0.07 -0.02 1.11 -0.62 0.00 0.00 0.00 174.94 175.48 3kl2 n GLU 49 N 5.35 -7.08 -1.42 2.79 1.02 0.45 -1.86 120.64 119.89 3kl2 n GLU 49 Ca -0.09 0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 57.38 3kl2 n GLU 49 Cb 0.50 -5.74 -0.02 0.00 -0.02 0.00 0.00 31.44 26.15 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 -4.90 2.71 -4.41 -0.32 4.01 -1.26 -4.67 117.16 108.32 3kl2 n TYR 50 Ca 0.02 -2.49 -0.26 0.00 -0.16 0.00 0.00 57.90 55.02 3kl2 n TYR 50 Cb 0.55 -2.18 -0.12 0.00 -0.31 0.00 0.00 39.34 37.28 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 3.82 1.48 0.39 -0.72 -0.21 -1.26 -0.14 119.66 123.02 3kl2 s GLN 51 Ca 0.52 -1.51 0.06 0.00 0.02 0.00 0.00 55.36 54.45 3kl2 s GLN 51 Cb 0.14 -1.76 0.81 0.00 1.00 0.00 0.00 33.01 33.20 3kl2 s GLN 51 CO -0.01 0.38 2.04 -0.91 -2.12 0.00 0.00 175.29 174.67 3kl2 h ASN 52 N 3.20 0.54 -1.22 5.90 2.35 -1.06 -0.48 115.58 124.81 3kl2 h ASN 52 Ca -0.46 -0.01 0.35 0.00 -0.55 0.00 0.00 56.30 55.63 3kl2 h ASN 52 Cb 1.21 -0.13 -0.08 0.00 0.05 0.00 0.00 38.32 39.37 3kl2 h ASN 52 CO 0.48 0.39 0.83 -0.08 -1.65 0.00 0.00 177.43 177.40 3kl2 h GLU 53 N 0.63 0.15 0.00 0.81 4.57 -1.30 -2.12 114.58 117.32 3kl2 h GLU 53 Ca 0.18 -0.01 -0.41 0.00 -1.18 0.00 0.00 59.36 57.94 3kl2 h GLU 53 Cb -0.04 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.45 3kl2 h GLU 53 CO -0.04 0.10 -2.25 1.19 -1.18 0.00 0.00 179.01 176.83 3kl2 n PHE 54 N -4.40 0.25 0.12 0.92 3.72 -0.30 -1.06 117.46 116.70 3kl2 n PHE 54 Ca 0.29 0.11 -0.00 0.00 -0.05 0.00 0.00 57.45 57.79 3kl2 n PHE 54 Cb 1.21 -1.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.97 1.11 -4.03 4.37 1.35 -1.05 -3.35 112.91 110.34 3kl2 h THR 55 Ca -0.62 -2.52 -0.69 0.00 -0.55 0.00 0.00 66.41 62.03 3kl2 h THR 55 Cb 1.55 2.51 -0.31 0.00 -1.73 0.00 0.00 68.15 70.18 3kl2 h THR 55 CO -0.37 0.62 -0.87 -0.44 -0.25 0.00 0.00 175.52 174.21 3kl2 s SER 56 N -6.53 3.17 -0.16 5.36 0.01 -0.81 -5.03 113.70 109.71 3kl2 s SER 56 Ca 0.03 -0.48 -0.31 0.00 1.31 0.00 0.00 55.95 56.50 3kl2 s SER 56 Cb 0.08 -0.84 -0.14 0.00 0.21 0.00 0.00 66.02 65.33 3kl2 s SER 56 CO 0.76 0.25 0.93 0.47 0.41 0.00 0.00 173.24 176.07 3kl2 n ASP 57 N 2.89 0.38 0.00 2.44 8.00 -1.26 -0.67 116.55 128.33 3kl2 n ASP 57 Ca -0.17 0.84 0.00 0.00 0.71 0.00 0.00 54.79 56.17 3kl2 n ASP 57 Cb 0.52 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 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 1.87 3.30 3.69 0.44 0.00 -1.26 -5.06 105.19 108.18 3kl2 n GLY 58 Ca 0.18 0.00 -0.42 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 -1.46 0.55 0.37 -0.02 0.00 0.16 -4.89 105.19 99.89 3kl2 n GLY 59 Ca 0.00 0.31 0.13 0.00 0.00 0.00 0.00 46.02 46.46 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 2.49 0.85 -0.53 1.61 2.07 -1.85 -2.32 116.25 118.56 3kl2 h VAL 60 Ca -0.46 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3kl2 h VAL 60 Cb 1.29 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3kl2 h VAL 60 CO 0.62 0.09 0.00 0.18 0.02 0.00 0.00 177.57 178.48 3kl2 n LEU 61 N -4.48 3.49 -0.03 2.57 4.77 -0.23 -4.62 117.00 118.47 3kl2 n LEU 61 Ca 0.13 -2.05 -0.16 0.00 -0.03 0.00 0.00 56.01 53.91 3kl2 n LEU 61 Cb 0.46 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 3kl2 n LEU 61 CO 0.33 0.85 0.39 -0.74 -1.33 0.00 0.00 177.39 176.88 3kl2 h HIS 62 N 3.10 0.67 -0.10 -1.77 2.76 -0.78 -3.17 115.15 115.85 3kl2 h HIS 62 Ca 0.00 -0.29 0.04 0.00 -2.20 0.00 0.00 60.37 57.93 3kl2 h HIS 62 Cb 0.90 -0.11 -0.06 0.00 1.55 0.00 0.00 27.41 29.70 3kl2 h HIS 62 CO 0.38 1.06 -0.25 0.78 -1.30 0.00 0.00 177.93 178.59 3kl2 h GLY 63 N 0.09 -0.30 -0.70 5.26 0.00 -1.82 -1.04 103.07 104.56 3kl2 h GLY 63 Ca -0.03 0.30 0.27 0.00 0.00 0.00 0.00 47.33 47.88 3kl2 h GLY 63 CO 0.10 -0.20 0.21 0.00 0.00 0.00 0.00 176.54 176.65 3kl2 h ALA 64 N 0.58 1.38 -0.47 3.60 0.00 -1.87 -2.02 119.26 120.45 3kl2 h ALA 64 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3kl2 h ALA 64 Cb 0.47 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3kl2 h ALA 64 CO -0.29 -0.58 0.00 1.33 0.00 0.00 0.00 179.25 179.71 3kl2 n VAL 65 N -5.32 1.31 0.01 0.00 0.24 -0.83 -4.37 118.33 109.37 3kl2 n VAL 65 Ca 0.24 -1.15 -0.11 0.00 -2.04 0.00 0.00 64.34 61.29 3kl2 n VAL 65 Cb 0.80 0.34 0.02 0.00 -1.47 0.00 0.00 33.84 33.53 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 2.84 0.58 -0.24 2.33 0.00 -0.43 -2.56 119.26 121.77 3kl2 h ALA 66 Ca 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 3kl2 h ALA 66 Cb 1.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3kl2 h ALA 66 CO 0.07 0.72 -0.27 0.38 0.00 0.00 0.00 179.25 180.15 3kl2 h ASP 67 N 0.40 0.65 0.09 0.00 2.03 -1.81 -1.34 116.42 116.45 3kl2 h ASP 67 Ca -0.02 -0.48 -0.00 0.00 -0.73 0.00 0.00 57.03 55.79 3kl2 h ASP 67 Cb 1.23 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 3kl2 h ASP 67 CO 0.12 1.00 -0.04 0.58 -1.03 0.00 0.00 179.24 179.87 3kl2 h VAL 68 N 0.31 1.08 -0.82 4.15 2.07 -1.79 0.49 116.25 121.75 3kl2 h VAL 68 Ca 0.04 -0.65 0.20 0.00 0.82 0.00 0.00 66.70 67.11 3kl2 h VAL 68 Cb 0.83 1.49 -0.14 0.00 -1.52 0.00 0.00 31.29 31.96 3kl2 h VAL 68 CO 0.06 0.16 0.10 0.24 0.02 0.00 0.00 177.57 178.15 3kl2 h MET 69 N -0.42 0.14 -0.16 1.57 2.07 -1.50 0.29 114.93 116.92 3kl2 h MET 69 Ca -0.01 -0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 57.58 3kl2 h MET 69 Cb 0.35 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.05 3kl2 h MET 69 CO 0.02 0.09 -0.01 0.37 1.07 0.00 0.00 176.91 178.46 3kl2 h GLN 70 N 0.14 0.29 -0.65 1.72 -0.00 -0.85 -2.07 115.11 113.70 3kl2 h GLN 70 Ca 0.48 -0.10 0.01 0.00 -0.00 0.00 0.00 58.65 59.04 3kl2 h GLN 70 Cb 0.91 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 28.33 3kl2 h GLN 70 CO -0.68 0.52 0.42 0.45 0.00 0.00 0.00 178.83 179.55 3kl2 h HIS 71 N 0.03 0.82 0.00 3.99 -0.00 0.44 -3.09 115.15 117.34 3kl2 h HIS 71 Ca 0.05 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.39 3kl2 h HIS 71 Cb 0.39 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 3kl2 h HIS 71 CO 0.04 0.52 -0.47 1.79 -0.00 0.00 0.00 177.93 179.80 3kl2 h THR 72 N 0.88 0.29 -3.94 2.45 1.35 -1.01 -3.48 112.91 109.44 3kl2 h THR 72 Ca 0.24 -1.44 -0.40 0.00 -0.55 0.00 0.00 66.41 64.25 3kl2 h THR 72 Cb -0.09 2.03 0.02 0.00 -1.73 0.00 0.00 68.15 68.38 3kl2 h THR 72 CO -0.05 0.17 -0.57 0.61 -0.25 0.00 0.00 175.52 175.43 3kl2 n GLY 73 N 1.18 -0.51 0.35 5.82 0.00 -0.78 -4.90 105.19 106.34 3kl2 n GLY 73 Ca 0.01 0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.78 0.67 0.02 1.61 -0.00 -1.68 -1.54 114.93 113.23 3kl2 h MET 74 Ca -0.50 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.70 59.16 3kl2 h MET 74 Cb 1.36 -0.15 0.00 0.00 -0.00 0.00 0.00 31.60 32.81 3kl2 h MET 74 CO 0.57 0.45 -0.01 1.25 -0.00 0.00 0.00 176.91 179.16 3kl2 h LEU 75 N 0.69 -0.02 -0.77 -0.10 5.85 -1.87 -0.37 115.31 118.73 3kl2 h LEU 75 Ca 0.29 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3kl2 h LEU 75 Cb 0.25 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3kl2 h LEU 75 CO -0.09 0.36 0.44 0.00 -0.34 0.00 0.00 178.44 178.81 3kl2 h ALA 76 N 0.58 0.98 -0.70 1.25 0.00 -1.88 -1.72 119.26 117.76 3kl2 h ALA 76 Ca -0.00 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3kl2 h ALA 76 Cb 0.38 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3kl2 h ALA 76 CO 0.00 0.47 0.15 -0.91 0.00 0.00 0.00 179.25 178.97 3kl2 h ASN 77 N 1.06 1.07 -0.45 0.00 2.35 -1.17 -2.62 115.58 115.82 3kl2 h ASN 77 Ca 0.27 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 3kl2 h ASN 77 Cb 0.00 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3kl2 h ASN 77 CO -0.05 1.04 0.06 0.74 -1.65 0.00 0.00 177.43 177.57 3kl2 h THR 78 N 1.06 1.25 -0.57 2.81 2.02 -0.78 -0.13 112.91 118.57 3kl2 h THR 78 Ca 0.22 -0.93 0.10 0.00 0.77 0.00 0.00 66.41 66.56 3kl2 h THR 78 Cb 0.40 0.98 -0.08 0.00 -1.74 0.00 0.00 68.15 67.71 3kl2 h THR 78 CO 0.01 0.32 0.15 0.58 0.37 0.00 0.00 175.52 176.95 3kl2 h VAL 79 N 0.61 0.71 -0.23 3.16 2.07 -1.21 0.56 116.25 121.92 3kl2 h VAL 79 Ca 0.13 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 3kl2 h VAL 79 Cb 0.41 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3kl2 h VAL 79 CO 0.01 0.05 0.06 0.00 0.02 0.00 0.00 177.57 177.71 3kl2 h ALA 80 N 1.43 0.31 -0.92 1.67 0.00 -1.21 0.25 119.26 120.79 3kl2 h ALA 80 Ca 0.29 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.18 3kl2 h ALA 80 Cb 0.40 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.01 3kl2 h ALA 80 CO -0.35 -0.04 0.54 0.28 0.00 0.00 0.00 179.25 179.67 3kl2 h VAL 81 N 0.20 0.83 0.00 0.00 2.07 -0.29 -0.40 116.25 118.65 3kl2 h VAL 81 Ca 0.07 -0.28 -0.17 0.00 0.82 0.00 0.00 66.70 67.15 3kl2 h VAL 81 Cb 0.27 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3kl2 h VAL 81 CO 0.00 0.15 -0.65 0.58 0.02 0.00 0.00 177.57 177.67 3kl2 h VAL 82 N 0.80 1.42 -1.00 2.57 2.07 -0.56 -0.51 116.25 121.04 3kl2 h VAL 82 Ca 0.48 -2.10 0.09 0.00 0.82 0.00 0.00 66.70 65.98 3kl2 h VAL 82 Cb 0.58 2.59 -0.12 0.00 -1.52 0.00 0.00 31.29 32.82 3kl2 h VAL 82 CO -0.31 0.62 -0.59 0.47 0.02 0.00 0.00 177.57 177.78 3kl2 n ASP 83 N -4.18 -1.05 0.03 0.57 10.43 0.85 -1.26 116.55 121.93 3kl2 n ASP 83 Ca -0.10 1.77 -0.01 0.00 2.57 0.00 0.00 54.79 59.01 3kl2 n ASP 83 Cb 0.69 -0.23 0.26 0.00 1.84 0.00 0.00 41.12 43.68 3kl2 n ASP 83 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kl2 h ALA 84 N 0.50 1.25 -0.33 2.24 0.00 -0.93 -2.07 119.26 119.92 3kl2 h ALA 84 Ca 0.16 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3kl2 h ALA 84 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kl2 h ALA 84 CO -0.94 0.49 -0.26 0.00 0.00 0.00 0.00 179.25 178.54 3kl2 h ALA 85 N 1.42 0.93 -0.27 0.00 0.00 -0.26 -2.39 119.26 118.69 3kl2 h ALA 85 Ca 0.08 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 3kl2 h ALA 85 Cb 0.52 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kl2 h ALA 85 CO 0.03 0.61 -0.54 0.00 0.00 0.00 0.00 179.25 179.35 3kl2 h ARG 86 N 0.57 0.81 -0.22 0.00 3.08 -0.94 0.10 114.38 117.78 3kl2 h ARG 86 Ca 0.08 -0.51 0.06 0.00 0.07 0.00 0.00 59.98 59.67 3kl2 h ARG 86 Cb 0.75 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.79 3kl2 h ARG 86 CO 0.06 1.14 -0.25 0.37 -1.07 0.00 0.00 179.97 180.22 3kl2 h GLN 87 N 0.62 -0.26 0.00 0.04 4.15 -1.27 -2.44 115.11 115.96 3kl2 h GLN 87 Ca 0.02 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3kl2 h GLN 87 Cb 1.14 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.88 3kl2 h GLN 87 CO 0.12 -0.17 0.00 0.00 -1.93 0.00 0.00 178.83 176.85 3kl2 n ALA 88 N -2.80 2.52 -1.20 3.38 0.00 -0.91 -4.89 120.51 116.62 3kl2 n ALA 88 Ca -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.24 3kl2 n ALA 88 Cb 0.29 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 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 0.71 0.55 3.67 0.00 0.00 -0.85 -4.88 105.19 104.39 3kl2 n GLY 89 Ca 0.19 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.11 5.00 0.30 1.61 1.01 0.29 -4.83 120.40 121.67 3kl2 s VAL 90 Ca 0.00 1.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.96 3kl2 s VAL 90 Cb 0.00 -3.98 -0.12 0.00 0.00 0.00 0.00 36.38 32.28 3kl2 s VAL 90 CO 0.00 0.11 1.51 -0.81 0.00 0.00 0.00 175.10 175.91 3kl2 n PRO 91 N 4.98 2.50 -3.40 2.72 -0.04 -1.26 -4.42 135.00 136.08 3kl2 n PRO 91 Ca -0.00 0.89 -0.38 0.00 -0.04 0.00 0.00 63.50 63.97 3kl2 n PRO 91 Cb 0.50 -2.62 -0.07 0.00 -0.04 0.00 0.00 33.50 31.27 3kl2 n PRO 91 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kl2 s ILE 92 N -0.27 5.22 -0.20 0.52 -1.09 -1.26 -2.13 121.20 121.99 3kl2 s ILE 92 Ca 0.63 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.78 3kl2 s ILE 92 Cb -0.53 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 36.64 3kl2 s ILE 92 CO 0.52 0.30 -0.16 -0.04 -1.23 0.00 0.00 174.94 174.33 3kl2 s MET 93 N 0.97 2.97 -0.19 2.79 -1.94 0.14 -1.12 119.30 122.93 3kl2 s MET 93 Ca 0.20 -0.85 -0.12 0.00 -1.71 0.00 0.00 55.69 53.21 3kl2 s MET 93 Cb -0.14 -2.70 -0.05 0.00 2.01 0.00 0.00 34.83 33.95 3kl2 s MET 93 CO 0.07 -0.25 0.22 -1.01 -0.01 0.00 0.00 175.02 174.04 3kl2 s HIS 94 N 1.31 3.41 -0.58 -0.03 3.76 -0.25 -0.35 115.29 122.55 3kl2 s HIS 94 Ca 0.04 0.44 0.04 0.00 -0.15 0.00 0.00 55.06 55.42 3kl2 s HIS 94 Cb -0.14 -2.27 0.15 0.00 1.11 0.00 0.00 32.58 31.43 3kl2 s HIS 94 CO -0.10 0.21 0.36 0.00 -0.85 0.00 0.00 174.74 174.36 3kl2 s ALA 95 N 0.58 3.24 0.33 -1.40 0.00 -0.08 -0.09 121.76 124.33 3kl2 s ALA 95 Ca 0.12 -3.36 -0.13 0.00 0.00 0.00 0.00 51.96 48.59 3kl2 s ALA 95 Cb -0.12 -2.09 -0.08 0.00 0.00 0.00 0.00 23.12 20.83 3kl2 s ALA 95 CO 0.02 -2.06 0.71 -1.25 0.00 0.00 0.00 175.76 173.19 3kl2 s PRO 96 N -0.66 3.92 -0.15 0.00 0.04 -1.26 -0.41 135.00 136.48 3kl2 s PRO 96 Ca 0.21 0.56 -0.07 0.00 0.04 0.00 0.00 61.00 61.74 3kl2 s PRO 96 Cb -0.15 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 3kl2 s PRO 96 CO -0.08 0.14 0.11 -1.50 0.04 0.00 0.00 177.00 175.71 3kl2 s ILE 97 N -2.04 5.22 -0.07 0.56 2.07 -1.26 -4.42 121.20 121.25 3kl2 s ILE 97 Ca 0.52 0.11 -0.14 0.00 -1.41 0.00 0.00 60.65 59.74 3kl2 s ILE 97 Cb -0.10 -3.31 0.03 0.00 0.13 0.00 0.00 42.46 39.21 3kl2 s ILE 97 CO 0.21 0.54 0.33 0.42 -1.91 0.00 0.00 174.94 174.53 3kl2 s THR 98 N -0.38 0.03 -0.05 4.00 -4.23 -1.23 -4.83 115.64 108.95 3kl2 s THR 98 Ca 0.11 -0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.41 3kl2 s THR 98 Cb -0.12 -0.55 0.01 0.00 1.34 0.00 0.00 72.50 73.18 3kl2 s THR 98 CO 0.01 -0.13 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.49 3kl2 s PHE 99 N -0.58 1.30 0.25 3.99 0.08 -0.55 -4.73 117.98 117.74 3kl2 s PHE 99 Ca -0.07 -0.42 -0.29 0.00 0.12 0.00 0.00 56.93 56.26 3kl2 s PHE 99 Cb -0.04 -0.95 -0.15 0.00 -0.57 0.00 0.00 43.02 41.32 3kl2 s PHE 99 CO 0.02 -0.21 1.03 0.00 -0.10 0.00 0.00 175.22 175.96 3kl2 n ALA 100 N 3.64 -0.53 -1.77 5.36 0.00 -1.26 -0.45 120.51 125.49 3kl2 n ALA 100 Ca -0.22 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.23 3kl2 n ALA 100 Cb 0.52 -2.00 -0.01 0.00 0.00 0.00 0.00 19.45 17.96 3kl2 n ALA 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3kl2 s GLU 101 N -1.15 4.12 0.00 0.00 2.12 -1.26 -1.78 118.70 120.75 3kl2 s GLU 101 Ca 0.63 2.57 0.00 0.00 0.36 0.00 0.00 54.97 58.54 3kl2 s GLU 101 Cb -0.76 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 30.63 3kl2 s GLU 101 CO 0.57 -0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 3kl2 n GLY 102 N 1.34 0.86 2.41 -1.50 0.00 -1.26 -4.54 105.19 102.50 3kl2 n GLY 102 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.08 -1.29 0.32 1.61 4.01 -0.73 -4.84 117.16 114.15 3kl2 n TYR 103 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.81 3kl2 n TYR 103 Cb 0.00 -2.89 0.34 0.00 -0.31 0.00 0.00 39.34 36.48 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 -0.79 -0.96 0.06 2.72 0.00 -1.26 -1.60 105.19 103.36 3kl2 n GLY 104 Ca -0.16 0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.81 0.89 -4.43 1.61 1.02 -1.26 -4.84 120.64 111.81 3kl2 n GLU 105 Ca 0.02 -0.12 -0.25 0.00 -0.02 0.00 0.00 57.16 56.78 3kl2 n GLU 105 Cb 0.13 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.20 2.88 0.43 -4.62 1.43 -0.63 -5.12 118.68 110.85 3kl2 s LEU 106 Ca 0.40 -1.09 -0.23 0.00 -1.03 0.00 0.00 54.13 52.17 3kl2 s LEU 106 Cb 0.21 -1.19 -0.11 0.00 0.03 0.00 0.00 46.19 45.13 3kl2 s LEU 106 CO 0.40 -0.24 0.86 1.07 0.23 0.00 0.00 176.35 178.67 3kl2 n THR 107 N -0.89 2.32 0.28 5.49 5.66 -1.26 -4.90 114.28 120.97 3kl2 n THR 107 Ca -0.04 -0.50 0.15 0.00 -3.05 0.00 0.00 64.05 60.60 3kl2 n THR 107 Cb 0.63 -0.95 0.80 0.00 -1.55 0.00 0.00 70.33 69.26 3kl2 n THR 107 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 3kl2 h ARG 108 N 1.23 0.00 -2.25 1.09 2.43 -1.96 -3.33 114.38 111.60 3kl2 h ARG 108 Ca -0.43 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.15 3kl2 h ARG 108 Cb 1.36 0.00 -0.42 0.00 -0.42 0.00 0.00 29.97 30.49 3kl2 h ARG 108 CO 0.55 0.08 -0.68 0.72 -1.51 0.00 0.00 179.97 179.13 3kl2 n HIS 109 N -3.51 3.69 -2.03 2.20 8.25 -1.26 -5.09 115.22 117.46 3kl2 n HIS 109 Ca -0.02 -4.01 -0.38 0.00 -0.26 0.00 0.00 57.72 53.06 3kl2 n HIS 109 Cb 0.21 -0.49 0.01 0.00 1.12 0.00 0.00 29.99 30.84 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 -3.22 3.52 0.41 -0.41 0.04 -1.25 -5.05 135.00 129.04 3kl2 s PRO 110 Ca 0.47 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.59 3kl2 s PRO 110 Cb 0.26 -2.39 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 3kl2 s PRO 110 CO -0.11 -0.82 0.01 1.52 0.04 0.00 0.00 177.00 177.64 3kl2 s TYR 111 N -1.41 2.46 0.00 0.56 1.13 -1.26 -4.59 117.35 114.24 3kl2 s TYR 111 Ca 0.66 -0.70 0.00 0.00 -1.41 0.00 0.00 57.07 55.62 3kl2 s TYR 111 Cb -0.35 -1.75 0.00 0.00 -1.10 0.00 0.00 41.96 38.76 3kl2 s TYR 111 CO 0.42 0.42 0.00 0.41 -2.51 0.00 0.00 175.55 174.29 3kl2 n GLY 112 N -0.98 0.87 0.18 5.49 0.00 -1.26 -3.92 105.19 105.57 3kl2 n GLY 112 Ca -0.06 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 0.90 -0.23 -0.61 6.09 -2.02 -1.02 117.51 120.62 3kl2 h ILE 113 Ca 0.00 -0.12 0.07 0.00 -1.37 0.00 0.00 64.86 63.44 3kl2 h ILE 113 Cb 0.00 0.53 -0.01 0.00 0.47 0.00 0.00 36.82 37.81 3kl2 h ILE 113 CO 0.00 0.06 0.23 -0.07 -3.07 0.00 0.00 178.15 175.30 3kl2 h LEU 114 N 0.34 0.00 -1.35 2.19 3.38 -1.97 -0.36 115.31 117.53 3kl2 h LEU 114 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3kl2 h LEU 114 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3kl2 h LEU 114 CO -0.18 0.00 0.22 0.50 0.09 0.00 0.00 178.44 179.07 3kl2 h LYS 115 N 0.00 0.66 0.00 1.13 3.64 -1.30 -0.86 116.57 119.84 3kl2 h LYS 115 Ca 0.11 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 3kl2 h LYS 115 Cb 0.56 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3kl2 h LYS 115 CO -0.00 0.52 -0.46 0.78 -2.27 0.00 0.00 179.45 178.02 3kl2 h GLY 116 N 0.78 0.00 1.22 5.01 0.00 -1.17 -0.82 103.07 108.09 3kl2 h GLY 116 Ca 0.17 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.29 3kl2 h GLY 116 CO -0.02 0.00 -0.67 -2.08 0.00 0.00 0.00 176.54 173.77 3kl2 h VAL 117 N 0.00 1.28 0.03 4.60 2.07 -1.24 -1.72 116.25 121.28 3kl2 h VAL 117 Ca -0.00 -1.87 -0.00 0.00 0.82 0.00 0.00 66.70 65.64 3kl2 h VAL 117 Cb 0.86 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 3kl2 h VAL 117 CO 0.06 0.60 -0.02 0.58 0.02 0.00 0.00 177.57 178.81 3kl2 h VAL 118 N 0.57 1.40 -0.37 2.57 2.07 -1.04 -1.26 116.25 120.20 3kl2 h VAL 118 Ca -0.02 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 65.85 3kl2 h VAL 118 Cb 1.28 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 33.49 3kl2 h VAL 118 CO 0.14 0.40 0.22 0.44 0.02 0.00 0.00 177.57 178.79 3kl2 h ASP 119 N -0.80 0.44 -0.01 0.57 3.32 -1.27 -2.20 116.42 116.47 3kl2 h ASP 119 Ca -0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3kl2 h ASP 119 Cb 0.69 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3kl2 h ASP 119 CO 0.01 0.34 0.00 0.61 -1.72 0.00 0.00 179.24 178.48 3kl2 n GLY 120 N -1.41 -0.62 3.89 2.75 0.00 -0.65 -4.93 105.19 104.23 3kl2 n GLY 120 Ca 0.02 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.54 -0.69 -3.99 1.61 5.02 -0.83 -4.96 118.16 113.79 3kl2 n LYS 121 Ca 0.21 0.25 -0.31 0.00 -2.02 0.00 0.00 58.31 56.44 3kl2 n LYS 121 Cb 0.20 -3.27 -0.05 0.00 -0.02 0.00 0.00 35.03 31.89 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 -3.50 3.79 -1.44 7.82 0.00 -0.50 -4.55 121.76 123.40 3kl2 s ALA 122 Ca 0.49 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.51 3kl2 s ALA 122 Cb -0.23 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.23 3kl2 s ALA 122 CO 0.92 0.77 0.67 1.19 0.00 0.00 0.00 175.76 179.32 3kl2 n PHE 123 N 0.56 -2.01 -2.04 0.00 3.01 -1.26 -4.81 117.46 110.91 3kl2 n PHE 123 Ca -0.08 0.58 -0.42 0.00 1.01 0.00 0.00 57.45 58.53 3kl2 n PHE 123 Cb 0.52 -4.41 -0.03 0.00 -0.01 0.00 0.00 39.48 35.55 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 -3.18 3.18 0.27 -4.37 1.01 -1.26 -1.48 120.40 114.57 3kl2 s VAL 124 Ca 0.33 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 3kl2 s VAL 124 Cb -0.15 -3.45 -0.13 0.00 0.00 0.00 0.00 36.38 32.66 3kl2 s VAL 124 CO 0.41 0.02 1.45 1.17 0.00 0.00 0.00 175.10 178.14 3kl2 n LYS 125 N 5.04 2.23 -0.07 2.72 4.81 0.40 -1.62 118.16 131.67 3kl2 n LYS 125 Ca 0.14 0.79 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 3kl2 n LYS 125 Cb 0.41 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 32.99 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 1.99 2.17 3.97 3.14 0.00 -1.26 -4.84 105.19 110.36 3kl2 n GLY 126 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.84 3.13 0.17 2.61 -4.23 -0.64 -5.00 115.64 108.84 3kl2 s THR 127 Ca 0.00 -0.61 -0.14 0.00 -1.18 0.00 0.00 61.69 59.76 3kl2 s THR 127 Cb 0.00 -3.17 0.06 0.00 1.34 0.00 0.00 72.50 70.74 3kl2 s THR 127 CO 0.00 -0.12 1.81 -0.25 -0.54 0.00 0.00 174.62 175.52 3kl2 h TRP 128 N 0.19 0.71 -0.90 3.99 7.01 -1.96 -2.37 115.95 122.61 3kl2 h TRP 128 Ca -0.43 -0.00 0.19 0.00 2.11 0.00 0.00 58.89 60.76 3kl2 h TRP 128 Cb 1.28 -0.23 -0.11 0.00 -2.10 0.00 0.00 29.16 28.00 3kl2 h TRP 128 CO 0.40 0.49 0.46 0.78 -2.79 0.00 0.00 178.44 177.77 3kl2 h GLY 129 N 0.73 1.55 2.00 2.65 0.00 -1.92 -1.58 103.07 106.50 3kl2 h GLY 129 Ca 0.19 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3kl2 h GLY 129 CO -0.04 -0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.35 3kl2 n ALA 130 N -2.43 2.15 -1.81 3.60 0.00 -0.91 -0.94 120.51 120.17 3kl2 n ALA 130 Ca 0.21 -0.02 -0.34 0.00 0.00 0.00 0.00 53.44 53.29 3kl2 n ALA 130 Cb 0.58 -1.44 -0.05 0.00 0.00 0.00 0.00 19.45 18.53 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 -3.11 2.95 0.51 0.00 0.00 -0.59 -4.79 121.76 116.73 3kl2 s ALA 131 Ca 0.10 0.51 -0.21 0.00 0.00 0.00 0.00 51.96 52.36 3kl2 s ALA 131 Cb 0.13 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.98 3kl2 s ALA 131 CO 0.53 -0.11 1.17 0.42 0.00 0.00 0.00 175.76 177.77 3kl2 s ILE 132 N -2.07 2.98 0.41 0.00 1.01 -1.26 -1.56 121.20 120.71 3kl2 s ILE 132 Ca 0.65 0.67 -0.26 0.00 0.00 0.00 0.00 60.65 61.71 3kl2 s ILE 132 Cb -0.13 -3.31 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 3kl2 s ILE 132 CO 0.17 -0.07 1.33 0.54 0.00 0.00 0.00 174.94 176.90 3kl2 s VAL 133 N -1.61 2.52 0.21 2.92 0.11 0.80 -4.68 120.40 120.66 3kl2 s VAL 133 Ca 0.69 0.47 -0.14 0.00 -2.93 0.00 0.00 61.98 60.07 3kl2 s VAL 133 Cb -0.28 -3.28 0.22 0.00 -1.53 0.00 0.00 36.38 31.52 3kl2 s VAL 133 CO 0.33 0.07 1.62 0.44 -3.33 0.00 0.00 175.10 174.23 3kl2 h ASP 134 N 2.63 -0.65 0.00 3.54 3.32 -1.91 -1.48 116.42 121.87 3kl2 h ASP 134 Ca -0.50 0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3kl2 h ASP 134 Cb 1.25 0.41 0.00 0.00 0.22 0.00 0.00 39.33 41.21 3kl2 h ASP 134 CO 0.62 -0.22 0.19 -0.33 -1.72 0.00 0.00 179.24 177.79 3kl2 h GLU 135 N -0.02 0.00 0.00 3.56 3.07 -1.99 -1.37 114.58 117.83 3kl2 h GLU 135 Ca 0.30 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3kl2 h GLU 135 Cb 0.47 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3kl2 h GLU 135 CO -0.65 0.00 -0.14 1.28 -1.40 0.00 0.00 179.01 178.09 3kl2 n LEU 136 N -2.93 2.30 -4.56 1.33 4.77 -0.58 -4.97 117.00 112.35 3kl2 n LEU 136 Ca -0.02 -3.15 -0.51 0.00 -0.03 0.00 0.00 56.01 52.29 3kl2 n LEU 136 Cb 0.25 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.86 3kl2 n LEU 136 CO 0.16 0.83 0.71 0.00 -1.33 0.00 0.00 177.39 177.76 3kl2 n ALA 137 N -1.28 -1.45 -1.79 -1.18 0.00 -0.52 -4.84 120.51 109.45 3kl2 n ALA 137 Ca 0.16 0.50 -0.42 0.00 0.00 0.00 0.00 53.44 53.68 3kl2 n ALA 137 Cb 0.66 -1.97 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 3kl2 n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kl2 s PRO 138 N -0.08 4.15 0.45 0.00 0.02 -1.26 -5.03 135.00 133.25 3kl2 s PRO 138 Ca 0.79 2.53 0.06 0.00 0.02 0.00 0.00 61.00 64.40 3kl2 s PRO 138 Cb -0.96 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 30.43 3kl2 s PRO 138 CO 0.52 -0.70 0.11 0.54 -0.33 0.00 0.00 177.00 177.13 3kl2 s VAL 139 N 1.04 1.88 0.16 3.83 0.11 -1.26 -5.02 120.40 121.14 3kl2 s VAL 139 Ca 0.72 -1.85 -0.33 0.00 -2.93 0.00 0.00 61.98 57.59 3kl2 s VAL 139 Cb -0.48 -2.72 -0.13 0.00 -1.53 0.00 0.00 36.38 31.52 3kl2 s VAL 139 CO 0.33 0.00 1.64 -0.46 -3.33 0.00 0.00 175.10 173.28 3kl2 n ASN 140 N -1.21 3.37 0.00 3.54 6.94 -1.26 -1.35 115.26 125.29 3kl2 n ASN 140 Ca -0.07 1.07 0.00 0.00 -0.02 0.00 0.00 54.58 55.56 3kl2 n ASN 140 Cb 0.66 -1.46 0.00 0.00 -2.36 0.00 0.00 39.78 36.61 3kl2 n ASN 140 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kl2 n GLY 141 N 3.63 2.77 3.68 4.83 0.00 -1.26 -5.06 105.19 113.78 3kl2 n GLY 141 Ca 0.17 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 3kl2 n GLY 141 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kl2 n ASP 142 N 0.07 1.75 -4.73 1.61 9.92 -0.46 -4.81 116.55 119.90 3kl2 n ASP 142 Ca 0.00 0.92 -0.35 0.00 -0.53 0.00 0.00 54.79 54.83 3kl2 n ASP 142 Cb 0.00 -1.48 -0.08 0.00 -0.64 0.00 0.00 41.12 38.92 3kl2 n ASP 142 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kl2 s ILE 143 N -1.37 4.57 -0.31 0.53 1.01 -0.27 -4.95 121.20 120.40 3kl2 s ILE 143 Ca 0.73 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.18 3kl2 s ILE 143 Cb -0.44 -2.97 0.08 0.00 0.01 0.00 0.00 42.46 39.15 3kl2 s ILE 143 CO 0.49 0.55 0.00 -0.69 0.00 0.00 0.00 174.94 175.29 3kl2 s VAL 144 N -0.97 2.44 0.25 2.92 1.01 -1.26 -1.10 120.40 123.69 3kl2 s VAL 144 Ca 0.15 -1.94 -0.30 0.00 0.00 0.00 0.00 61.98 59.90 3kl2 s VAL 144 Cb -0.12 -2.61 -0.10 0.00 0.00 0.00 0.00 36.38 33.56 3kl2 s VAL 144 CO 0.05 -0.34 1.37 -0.63 0.00 0.00 0.00 175.10 175.55 3kl2 s ILE 145 N 1.04 2.85 0.08 2.22 -1.09 0.87 -4.97 121.20 122.21 3kl2 s ILE 145 Ca 0.01 0.74 0.08 0.00 -2.23 0.00 0.00 60.65 59.25 3kl2 s ILE 145 Cb -0.20 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 3kl2 s ILE 145 CO -0.06 0.13 -0.18 -1.61 -1.23 0.00 0.00 174.94 171.99 3kl2 s GLU 146 N -0.56 1.94 0.00 2.79 2.02 -1.26 -4.44 118.70 119.18 3kl2 s GLU 146 Ca 0.56 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 54.48 3kl2 s GLU 146 Cb -0.40 -2.16 0.00 0.00 0.10 0.00 0.00 34.13 31.68 3kl2 s GLU 146 CO 0.43 0.51 0.00 0.41 0.02 0.00 0.00 175.26 176.63 3kl2 n GLY 147 N 1.18 0.85 3.65 -1.39 0.00 -1.26 -2.45 105.19 105.77 3kl2 n GLY 147 Ca -0.16 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 1.51 0.00 1.61 4.81 -1.20 -4.74 118.16 120.16 3kl2 n LYS 148 Ca 0.00 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 3kl2 n LYS 148 Cb 0.00 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 32.79 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 4.16 2.80 -0.33 1.64 5.12 -1.26 -3.49 116.66 125.30 3kl2 n ARG 149 Ca 0.21 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.13 3kl2 n ARG 149 Cb 0.21 -0.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.89 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 0.85 3.34 0.12 -0.13 0.00 -1.26 -5.01 105.19 103.09 3kl2 n GLY 150 Ca 0.00 -2.07 -0.18 0.00 0.00 0.00 0.00 46.02 43.77 3kl2 n GLY 150 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kl2 h LEU 151 N 0.00 0.42 -8.85 0.99 -0.00 -1.96 -3.44 115.31 102.48 3kl2 h LEU 151 Ca 0.00 -0.64 -0.59 0.00 -0.00 0.00 0.00 57.88 56.65 3kl2 h LEU 151 Cb 0.00 -0.14 -0.09 0.00 -0.00 0.00 0.00 40.66 40.43 3kl2 h LEU 151 CO 0.00 1.54 0.61 -0.62 -0.00 0.00 0.00 178.44 179.98 3kl2 s ASP 152 N -7.00 6.70 0.54 -0.43 2.15 -1.26 -4.42 116.67 112.95 3kl2 s ASP 152 Ca -0.12 0.62 0.23 0.00 0.43 0.00 0.00 52.55 53.71 3kl2 s ASP 152 Cb 0.07 -2.47 1.40 0.00 -0.30 0.00 0.00 42.92 41.61 3kl2 s ASP 152 CO 0.84 -0.85 2.04 0.74 -0.17 0.00 0.00 175.17 177.77 3kl2 h THR 153 N 5.81 0.76 0.00 1.71 2.02 -1.86 -1.02 112.91 120.34 3kl2 h THR 153 Ca -0.23 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3kl2 h THR 153 Cb 1.08 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 3kl2 h THR 153 CO 0.98 0.00 0.00 -0.26 0.37 0.00 0.00 175.52 176.61 3kl2 h PHE 154 N 0.00 0.00 0.00 3.16 0.04 -1.92 -3.31 116.94 114.91 3kl2 h PHE 154 Ca 0.17 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.86 3kl2 h PHE 154 Cb 0.70 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 3kl2 h PHE 154 CO 0.00 0.00 -0.38 0.00 -0.60 0.00 0.00 178.31 177.33 3kl2 h ALA 155 N 2.02 1.07 0.00 2.45 0.00 -1.59 -3.37 119.26 119.83 3kl2 h ALA 155 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 3kl2 h ALA 155 Cb 0.94 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.37 3kl2 h ALA 155 CO 0.00 0.47 -0.81 -1.13 0.00 0.00 0.00 179.25 177.78 3kl2 n SER 156 N -3.64 0.44 -3.77 0.00 3.41 -1.26 -5.03 113.62 103.78 3kl2 n SER 156 Ca -0.01 -1.98 -0.13 0.00 -0.26 0.00 0.00 58.87 56.49 3kl2 n SER 156 Cb 0.48 -0.14 -0.07 0.00 -0.26 0.00 0.00 64.21 64.22 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 0.00 -1.08 6.66 -4.23 -1.25 -3.20 115.64 112.54 3kl2 s THR 157 Ca 0.23 -1.78 0.11 0.00 -1.18 0.00 0.00 61.69 59.07 3kl2 s THR 157 Cb 0.27 -2.47 0.48 0.00 1.34 0.00 0.00 72.50 72.12 3kl2 s THR 157 CO -0.12 0.00 1.32 -0.46 -0.54 0.00 0.00 174.62 174.82 3kl2 n ASN 158 N -0.81 3.46 0.08 3.99 0.23 -1.03 -4.58 115.26 116.59 3kl2 n ASN 158 Ca 0.02 -2.37 -0.12 0.00 -0.53 0.00 0.00 54.58 51.59 3kl2 n ASN 158 Cb 0.63 -0.50 -0.05 0.00 -2.08 0.00 0.00 39.78 37.78 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 2.63 -0.74 -0.22 -4.53 5.85 -1.86 -1.50 115.31 114.94 3kl2 h LEU 159 Ca 0.00 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3kl2 h LEU 159 Cb 1.14 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 3kl2 h LEU 159 CO 0.20 -0.33 0.10 -0.78 -0.34 0.00 0.00 178.44 177.29 3kl2 h ASP 160 N -0.41 0.14 -0.95 1.25 3.58 -1.90 0.23 116.42 118.36 3kl2 h ASP 160 Ca 0.05 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.57 3kl2 h ASP 160 Cb 0.48 -0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.45 3kl2 h ASP 160 CO -0.20 0.11 0.61 0.15 -2.88 0.00 0.00 179.24 177.04 3kl2 h PHE 161 N 0.22 1.14 0.01 0.28 3.57 -1.82 -0.18 116.94 120.16 3kl2 h PHE 161 Ca 0.09 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3kl2 h PHE 161 Cb 0.03 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.40 3kl2 h PHE 161 CO -0.10 0.61 -0.01 0.82 -2.23 0.00 0.00 178.31 177.40 3kl2 h ILE 162 N 1.14 1.51 -0.64 1.41 2.04 -0.58 -1.12 117.51 121.26 3kl2 h ILE 162 Ca 0.40 -1.68 0.11 0.00 1.00 0.00 0.00 64.86 64.69 3kl2 h ILE 162 Cb 0.12 2.63 -0.08 0.00 -0.74 0.00 0.00 36.82 38.74 3kl2 h ILE 162 CO -0.16 0.43 0.21 -0.07 0.00 0.00 0.00 178.15 178.56 3kl2 h LEU 163 N -0.76 0.16 -0.15 1.44 3.38 -0.36 -1.78 115.31 117.24 3kl2 h LEU 163 Ca -0.00 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3kl2 h LEU 163 Cb 0.71 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3kl2 h LEU 163 CO 0.00 0.08 -0.10 0.03 0.09 0.00 0.00 178.44 178.55 3kl2 h ARG 164 N 0.36 0.33 -0.64 1.13 2.47 -1.03 -0.63 114.38 116.37 3kl2 h ARG 164 Ca 0.33 -0.16 0.02 0.00 -1.26 0.00 0.00 59.98 58.92 3kl2 h ARG 164 Cb 0.46 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 3kl2 h ARG 164 CO -0.36 0.68 0.43 1.03 0.56 0.00 0.00 179.97 182.31 3kl2 h SER 165 N -0.02 0.69 1.23 7.04 0.87 -1.03 -1.25 113.55 121.08 3kl2 h SER 165 Ca 0.03 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3kl2 h SER 165 Cb 0.60 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3kl2 h SER 165 CO 0.03 0.48 -0.04 0.29 -0.53 0.00 0.00 176.83 177.06 3kl2 n LYS 166 N -4.45 0.15 -1.35 2.24 5.02 -0.69 -4.94 118.16 114.15 3kl2 n LYS 166 Ca 0.07 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3kl2 n LYS 166 Cb 0.10 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 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 1.39 0.66 3.69 0.72 0.00 -0.47 -4.96 105.19 106.21 3kl2 n GLY 167 Ca 0.06 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.00 5.06 -0.09 1.61 1.01 -0.28 -4.52 120.40 121.19 3kl2 s VAL 168 Ca 0.00 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.24 3kl2 s VAL 168 Cb 0.00 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.43 3kl2 s VAL 168 CO 0.00 0.20 0.58 -0.90 0.00 0.00 0.00 175.10 174.98 3kl2 n ASP 169 N 4.30 1.17 -3.91 3.32 5.68 0.06 -4.60 116.55 122.57 3kl2 n ASP 169 Ca -0.02 -1.13 -0.22 0.00 -0.50 0.00 0.00 54.79 52.91 3kl2 n ASP 169 Cb 0.51 -0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.32 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 -0.16 0.71 -0.06 2.12 2.01 -0.33 -0.40 115.64 119.53 3kl2 s THR 170 Ca 0.01 -0.19 0.03 0.00 0.31 0.00 0.00 61.69 61.85 3kl2 s THR 170 Cb 0.01 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.79 3kl2 s THR 170 CO 0.01 0.28 -0.15 0.27 -0.69 0.00 0.00 174.62 174.33 3kl2 s ILE 171 N 1.10 1.34 -0.33 1.82 -4.36 -0.49 -1.04 121.20 119.24 3kl2 s ILE 171 Ca -0.08 -0.62 -0.10 0.00 -0.26 0.00 0.00 60.65 59.59 3kl2 s ILE 171 Cb -0.14 -1.18 0.00 0.00 1.25 0.00 0.00 42.46 42.39 3kl2 s ILE 171 CO -0.01 0.39 0.17 -0.69 0.24 0.00 0.00 174.94 175.05 3kl2 s VAL 172 N 0.37 4.64 -0.16 8.37 1.01 0.86 -1.39 120.40 134.11 3kl2 s VAL 172 Ca -0.11 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 3kl2 s VAL 172 Cb -0.14 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 3kl2 s VAL 172 CO 0.04 -0.02 0.27 -0.76 0.00 0.00 0.00 175.10 174.63 3kl2 s LEU 173 N 1.61 4.25 0.15 3.92 1.43 -0.31 -0.28 118.68 129.44 3kl2 s LEU 173 Ca 0.04 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.63 3kl2 s LEU 173 Cb -0.18 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 3kl2 s LEU 173 CO 0.07 0.13 0.00 -0.83 0.23 0.00 0.00 176.35 175.95 3kl2 s GLY 174 N 0.33 1.08 0.00 -3.19 0.00 -0.94 -1.81 107.32 102.80 3kl2 s GLY 174 Ca 0.15 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.36 3kl2 s GLY 174 CO 0.03 -1.48 0.00 0.61 0.00 0.00 0.00 173.10 172.27 3kl2 n GLY 175 N -0.17 0.43 3.34 0.20 0.00 0.26 -0.64 105.19 108.61 3kl2 n GLY 175 Ca -0.07 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.21 2.02 0.07 1.61 0.08 -0.78 -2.86 117.98 116.92 3kl2 s PHE 176 Ca 0.00 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.65 3kl2 s PHE 176 Cb 0.00 -1.07 -0.04 0.00 -0.57 0.00 0.00 43.02 41.34 3kl2 s PHE 176 CO 0.00 0.30 0.22 -0.51 -0.10 0.00 0.00 175.22 175.13 3kl2 s LEU 177 N -2.15 4.36 0.15 -0.37 1.43 -1.26 -4.19 118.68 116.65 3kl2 s LEU 177 Ca 0.12 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.19 3kl2 s LEU 177 Cb -0.09 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 3kl2 s LEU 177 CO 0.06 0.15 1.56 0.74 0.23 0.00 0.00 176.35 179.09 3kl2 h THR 178 N 2.01 0.05 -0.01 5.49 2.02 -1.54 0.24 112.91 121.17 3kl2 h THR 178 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3kl2 h THR 178 Cb 1.17 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3kl2 h THR 178 CO 0.75 0.00 -0.31 -0.46 0.37 0.00 0.00 175.52 175.87 3kl2 n ASN 179 N -5.38 1.13 0.00 4.18 6.94 -1.26 -1.74 115.26 119.13 3kl2 n ASN 179 Ca -0.00 -0.94 0.00 0.00 -0.02 0.00 0.00 54.58 53.62 3kl2 n ASN 179 Cb 0.34 0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 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 0.66 1.32 -0.41 0.00 2.07 -0.72 -2.48 116.25 116.68 3kl2 h VAL 182 Ca 0.03 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.46 3kl2 h VAL 182 Cb 1.07 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.56 3kl2 h VAL 182 CO 0.11 0.33 0.15 -0.33 0.02 0.00 0.00 177.57 177.85 3kl2 h GLU 183 N -0.03 0.31 -0.63 1.57 5.08 -1.27 -1.42 114.58 118.19 3kl2 h GLU 183 Ca 0.03 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3kl2 h GLU 183 Cb 0.56 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 3kl2 h GLU 183 CO 0.02 0.21 0.20 0.77 -1.00 0.00 0.00 179.01 179.21 3kl2 h SER 184 N 0.32 0.89 -0.22 1.42 0.02 -1.30 -0.70 113.55 113.97 3kl2 h SER 184 Ca 0.19 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 60.85 3kl2 h SER 184 Cb 0.17 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3kl2 h SER 184 CO -0.19 0.83 -0.41 0.74 -1.14 0.00 0.00 176.83 176.67 3kl2 h THR 185 N 0.93 1.32 -0.18 -2.27 2.02 -1.24 -2.60 112.91 110.88 3kl2 h THR 185 Ca 0.21 -1.62 0.05 0.00 0.77 0.00 0.00 66.41 65.82 3kl2 h THR 185 Cb 0.26 1.79 -0.06 0.00 -1.74 0.00 0.00 68.15 68.41 3kl2 h THR 185 CO -0.01 0.51 -0.21 -0.03 0.37 0.00 0.00 175.52 176.15 3kl2 h MET 186 N 0.38 -0.23 -0.71 6.66 -1.53 -1.01 0.14 114.93 118.63 3kl2 h MET 186 Ca 0.01 0.02 -0.06 0.00 -3.44 0.00 0.00 59.70 56.23 3kl2 h MET 186 Cb 1.01 0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 32.08 3kl2 h MET 186 CO 0.09 -0.15 0.23 0.00 0.14 0.00 0.00 176.91 177.21 3kl2 h ARG 187 N -0.24 1.10 -0.06 0.39 3.08 -1.07 -0.70 114.38 116.88 3kl2 h ARG 187 Ca 0.12 -0.23 -0.18 0.00 0.07 0.00 0.00 59.98 59.75 3kl2 h ARG 187 Cb 0.42 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3kl2 h ARG 187 CO -0.32 0.94 -0.74 1.15 -1.07 0.00 0.00 179.97 179.92 3kl2 h THR 188 N 1.04 1.40 -0.33 2.04 2.02 -1.35 -2.50 112.91 115.22 3kl2 h THR 188 Ca 0.23 -2.19 0.07 0.00 0.77 0.00 0.00 66.41 65.28 3kl2 h THR 188 Cb 0.30 2.16 -0.07 0.00 -1.74 0.00 0.00 68.15 68.80 3kl2 h THR 188 CO -0.01 0.65 -0.11 1.23 0.37 0.00 0.00 175.52 177.66 3kl2 h GLY 189 N 1.39 0.20 0.78 2.16 0.00 0.05 -2.02 103.07 105.63 3kl2 h GLY 189 Ca -0.03 0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.46 3kl2 h GLY 189 CO 0.12 -0.14 0.01 -1.82 0.00 0.00 0.00 176.54 174.71 3kl2 h TYR 190 N -0.03 0.01 -0.22 5.60 3.20 -1.14 -2.33 116.97 122.04 3kl2 h TYR 190 Ca 0.16 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.11 3kl2 h TYR 190 Cb 0.28 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3kl2 h TYR 190 CO -0.33 -0.01 0.17 0.93 -1.64 0.00 0.00 178.16 177.28 3kl2 h GLU 191 N 0.06 0.00 -0.60 1.82 4.39 -1.12 -2.53 114.58 116.60 3kl2 h GLU 191 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3kl2 h GLU 191 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3kl2 h GLU 191 CO -0.11 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.28 3kl2 n ARG 192 N -4.40 2.45 0.00 2.33 1.74 -0.79 -4.93 116.66 113.07 3kl2 n ARG 192 Ca 0.02 -2.15 0.00 0.00 -0.77 0.00 0.00 57.85 54.95 3kl2 n ARG 192 Cb 0.31 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 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 1.40 3.20 3.75 -0.13 0.00 -0.95 -5.05 105.19 107.41 3kl2 n GLY 193 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.85 2.36 -0.56 1.61 0.08 -0.91 -4.93 117.98 112.78 3kl2 s PHE 194 Ca 0.00 1.50 -0.27 0.00 0.12 0.00 0.00 56.93 58.28 3kl2 s PHE 194 Cb 0.00 -3.54 0.03 0.00 -0.57 0.00 0.00 43.02 38.94 3kl2 s PHE 194 CO 0.00 -2.35 1.08 0.50 -0.10 0.00 0.00 175.22 174.35 3kl2 s ARG 195 N -3.25 3.46 -0.24 0.44 3.52 0.46 -4.50 118.95 118.84 3kl2 s ARG 195 Ca 0.77 0.08 -0.15 0.00 -0.13 0.00 0.00 55.73 56.30 3kl2 s ARG 195 Cb -0.32 -4.02 -0.04 0.00 -1.56 0.00 0.00 34.95 29.01 3kl2 s ARG 195 CO 0.36 -1.57 0.38 0.08 -0.81 0.00 0.00 175.30 173.74 3kl2 s VAL 196 N 4.50 5.19 -0.08 7.11 1.01 -1.26 -1.39 120.40 135.47 3kl2 s VAL 196 Ca 0.38 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.99 3kl2 s VAL 196 Cb -0.09 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 3kl2 s VAL 196 CO 0.24 0.20 -0.09 -0.63 0.00 0.00 0.00 175.10 174.81 3kl2 s ILE 197 N 1.74 3.49 -0.08 2.22 1.01 -0.48 -0.35 121.20 128.75 3kl2 s ILE 197 Ca 0.16 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.30 3kl2 s ILE 197 Cb -0.15 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.89 3kl2 s ILE 197 CO 0.09 0.58 -0.20 0.42 0.00 0.00 0.00 174.94 175.83 3kl2 s THR 198 N -0.54 1.71 -0.77 2.92 -4.23 -1.02 -1.16 115.64 112.55 3kl2 s THR 198 Ca 0.08 -0.82 -0.21 0.00 -1.18 0.00 0.00 61.69 59.55 3kl2 s THR 198 Cb -0.12 -1.50 0.09 0.00 1.34 0.00 0.00 72.50 72.31 3kl2 s THR 198 CO 0.02 0.48 1.05 -0.76 -0.54 0.00 0.00 174.62 174.87 3kl2 s LEU 199 N 0.40 4.54 0.54 4.79 1.43 -0.75 -0.75 118.68 128.89 3kl2 s LEU 199 Ca -0.16 -1.35 0.36 0.00 -1.03 0.00 0.00 54.13 51.95 3kl2 s LEU 199 Cb -0.17 -2.42 1.80 0.00 0.03 0.00 0.00 46.19 45.43 3kl2 s LEU 199 CO 0.07 -1.33 2.08 0.71 0.23 0.00 0.00 176.35 178.11 3kl2 h THR 200 N 5.98 0.00 -0.27 5.49 1.35 -1.29 -0.37 112.91 123.80 3kl2 h THR 200 Ca -0.12 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3kl2 h THR 200 Cb 1.05 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3kl2 h THR 200 CO 1.17 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.54 3kl2 n ASP 201 N -2.85 3.29 -1.99 5.36 5.75 -1.26 -4.49 116.55 120.35 3kl2 n ASP 201 Ca -0.01 -2.53 -0.17 0.00 -0.01 0.00 0.00 54.79 52.07 3kl2 n ASP 201 Cb 0.14 -0.37 0.04 0.00 -1.03 0.00 0.00 41.12 39.90 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 -4.26 0.06 0.13 0.00 -7.23 -1.23 -0.57 120.40 107.29 3kl2 s VAL 203 Ca 0.46 -0.48 0.05 0.00 -1.81 0.00 0.00 61.98 60.20 3kl2 s VAL 203 Cb 0.39 -0.27 -0.04 0.00 0.56 0.00 0.00 36.38 37.02 3kl2 s VAL 203 CO 0.01 -0.26 -0.12 0.00 -0.31 0.00 0.00 175.10 174.42 3kl2 s ALA 204 N -0.84 1.45 0.28 1.32 0.00 -1.14 -4.84 121.76 117.99 3kl2 s ALA 204 Ca -0.09 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 50.54 3kl2 s ALA 204 Cb -0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.02 3kl2 s ALA 204 CO 0.00 0.00 0.22 0.00 0.00 0.00 0.00 175.76 175.99 3kl2 s ALA 205 N -2.69 1.60 -0.12 0.00 0.00 -1.26 -1.73 121.76 117.56 3kl2 s ALA 205 Ca 0.12 -1.93 0.29 0.00 0.00 0.00 0.00 51.96 50.44 3kl2 s ALA 205 Cb -0.02 1.44 0.91 0.00 0.00 0.00 0.00 23.12 25.46 3kl2 s ALA 205 CO 0.02 -0.63 1.82 1.79 0.00 0.00 0.00 175.76 178.75 3kl2 h THR 206 N 2.32 0.04 -4.19 0.00 1.35 -1.91 -3.39 112.91 107.12 3kl2 h THR 206 Ca -0.29 -0.76 -0.13 0.00 -0.55 0.00 0.00 66.41 64.67 3kl2 h THR 206 Cb 1.24 1.74 -0.15 0.00 -1.73 0.00 0.00 68.15 69.25 3kl2 h THR 206 CO 0.43 0.02 -0.58 -0.94 -0.25 0.00 0.00 175.52 174.19 3kl2 s SER 207 N -5.94 0.33 0.07 5.36 1.04 -1.26 -4.63 113.70 108.67 3kl2 s SER 207 Ca 0.04 -0.99 -0.14 0.00 0.48 0.00 0.00 55.95 55.33 3kl2 s SER 207 Cb 0.07 0.28 -0.24 0.00 0.10 0.00 0.00 66.02 66.23 3kl2 s SER 207 CO 0.60 -0.69 1.18 -0.61 0.98 0.00 0.00 173.24 174.70 3kl2 h GLN 208 N 2.94 0.69 0.52 4.02 5.75 -1.97 -2.71 115.11 124.36 3kl2 h GLN 208 Ca -0.34 -0.76 -0.02 0.00 -0.15 0.00 0.00 58.65 57.38 3kl2 h GLN 208 Cb 1.18 0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.94 3kl2 h GLN 208 CO 0.61 1.33 -0.37 0.93 -2.65 0.00 0.00 178.83 178.67 3kl2 h GLU 209 N 0.37 -0.83 -0.68 1.69 3.07 -1.98 0.26 114.58 116.48 3kl2 h GLU 209 Ca -0.14 0.06 0.12 0.00 -0.50 0.00 0.00 59.36 58.90 3kl2 h GLU 209 Cb 1.71 0.19 -0.13 0.00 -0.84 0.00 0.00 28.75 29.68 3kl2 h GLU 209 CO 0.21 -0.55 -0.31 1.05 -1.40 0.00 0.00 179.01 178.01 3kl2 h GLU 210 N -0.86 -0.10 -0.11 2.33 4.11 -1.99 0.10 114.58 118.06 3kl2 h GLU 210 Ca -0.07 0.01 0.04 0.00 0.07 0.00 0.00 59.36 59.41 3kl2 h GLU 210 Cb 0.70 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 3kl2 h GLU 210 CO 0.04 -0.06 -0.33 1.25 0.07 0.00 0.00 179.01 179.97 3kl2 h HIS 211 N -0.10 -0.93 -0.36 2.06 6.17 -1.47 -2.57 115.15 117.94 3kl2 h HIS 211 Ca 0.28 0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.38 3kl2 h HIS 211 Cb 0.56 0.43 -0.02 0.00 2.52 0.00 0.00 27.41 30.90 3kl2 h HIS 211 CO -0.66 -0.41 0.17 -0.91 0.71 0.00 0.00 177.93 176.82 3kl2 h ASN 212 N -0.42 0.48 0.81 3.26 2.35 0.27 -1.79 115.58 120.53 3kl2 h ASN 212 Ca 0.09 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 3kl2 h ASN 212 Cb 0.56 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3kl2 h ASN 212 CO -0.35 0.49 -0.35 0.78 -1.65 0.00 0.00 177.43 176.35 3kl2 h ASN 213 N 0.45 0.00 0.03 5.81 2.35 -1.03 -0.65 115.58 122.54 3kl2 h ASN 213 Ca 0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3kl2 h ASN 213 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3kl2 h ASN 213 CO -0.01 0.35 -0.01 0.00 -1.65 0.00 0.00 177.43 176.10 3kl2 h ALA 214 N 1.65 -0.04 -0.87 -0.83 0.00 -1.33 -2.64 119.26 115.19 3kl2 h ALA 214 Ca -0.00 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3kl2 h ALA 214 Cb 0.85 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3kl2 h ALA 214 CO 0.05 -0.12 0.55 0.82 0.00 0.00 0.00 179.25 180.55 3kl2 h ILE 215 N -0.84 1.10 0.41 0.00 2.04 -1.23 0.18 117.51 119.17 3kl2 h ILE 215 Ca -0.00 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3kl2 h ILE 215 Cb 0.72 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3kl2 h ILE 215 CO 0.01 0.19 -0.20 0.28 0.00 0.00 0.00 178.15 178.43 3kl2 h SER 216 N 1.05 -0.46 0.11 1.72 0.02 -1.21 -3.34 113.55 111.43 3kl2 h SER 216 Ca 0.36 -0.12 -0.20 0.00 -0.84 0.00 0.00 61.79 60.99 3kl2 h SER 216 Cb 0.08 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3kl2 h SER 216 CO -0.14 -0.06 -2.10 -1.22 -1.14 0.00 0.00 176.83 172.18 3kl2 n TYR 217 N -5.17 0.15 -0.12 3.45 4.02 -1.00 -4.58 117.16 113.91 3kl2 n TYR 217 Ca -0.09 0.05 -0.23 0.00 -0.01 0.00 0.00 57.90 57.62 3kl2 n TYR 217 Cb 0.28 -0.83 -0.11 0.00 -0.02 0.00 0.00 39.34 38.66 3kl2 n TYR 217 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3kl2 n ASP 218 N -2.59 1.98 -0.15 7.72 8.00 -0.03 -4.54 116.55 126.94 3kl2 n ASP 218 Ca -0.19 0.08 0.03 0.00 0.71 0.00 0.00 54.79 55.42 3kl2 n ASP 218 Cb 0.89 -0.61 0.32 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.40 0.78 0.00 1.24 0.05 -1.45 -1.80 116.94 115.36 3kl2 h PHE 219 Ca -0.61 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.16 3kl2 h PHE 219 Cb 1.78 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 39.46 3kl2 h PHE 219 CO -0.01 0.47 -0.18 -1.35 -0.18 0.00 0.00 178.31 177.06 3kl2 h PRO 220 N 0.82 0.00 0.00 1.51 0.11 -1.80 0.77 132.00 133.41 3kl2 h PRO 220 Ca 0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.34 3kl2 h PRO 220 Cb -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 3kl2 h PRO 220 CO -0.06 0.18 -0.10 0.52 -0.21 0.00 0.00 178.00 178.33 3kl2 h MET 221 N 0.00 0.00 0.00 1.05 2.86 -1.56 -3.35 114.93 113.93 3kl2 h MET 221 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kl2 h MET 221 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3kl2 h MET 221 CO 0.02 0.10 0.00 1.19 1.06 0.00 0.00 176.91 179.29 3kl2 n PHE 222 N -3.27 0.00 -3.97 -0.22 3.72 -0.98 -5.11 117.46 107.64 3kl2 n PHE 222 Ca 0.00 -0.04 -0.11 0.00 -0.05 0.00 0.00 57.45 57.24 3kl2 n PHE 222 Cb 0.34 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.85 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 -0.09 0.39 -0.55 4.37 1.04 0.23 -4.58 113.70 114.50 3kl2 s SER 223 Ca 0.00 -1.24 -0.12 0.00 0.48 0.00 0.00 55.95 55.08 3kl2 s SER 223 Cb 0.00 0.72 0.14 0.00 0.10 0.00 0.00 66.02 66.98 3kl2 s SER 223 CO 0.00 -1.41 0.46 -0.69 0.98 0.00 0.00 173.24 172.58 3kl2 s VAL 224 N -3.01 4.68 0.02 5.02 1.01 0.53 -4.53 120.40 124.12 3kl2 s VAL 224 Ca 0.23 -1.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.03 3kl2 s VAL 224 Cb -0.02 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 3kl2 s VAL 224 CO 0.15 -0.85 1.49 -2.84 0.00 0.00 0.00 175.10 173.05 3kl2 s PRO 225 N 1.16 4.25 0.25 2.72 0.02 -1.26 -2.45 135.00 139.70 3kl2 s PRO 225 Ca 0.07 2.10 0.05 0.00 0.02 0.00 0.00 61.00 63.24 3kl2 s PRO 225 Cb -0.25 -3.59 -0.05 0.00 0.02 0.00 0.00 34.50 30.63 3kl2 s PRO 225 CO -0.01 -0.64 -0.03 -1.64 -0.33 0.00 0.00 177.00 174.35 3kl2 s MET 226 N 2.53 1.44 0.35 5.54 -1.94 0.08 -4.92 119.30 122.38 3kl2 s MET 226 Ca 0.67 -1.73 0.04 0.00 -1.71 0.00 0.00 55.69 52.97 3kl2 s MET 226 Cb -0.34 -0.88 -0.01 0.00 2.01 0.00 0.00 34.83 35.61 3kl2 s MET 226 CO 0.28 -0.03 0.51 0.95 -0.01 0.00 0.00 175.02 176.72 3kl2 s THR 227 N -3.22 4.26 0.37 2.05 -4.23 -1.26 -0.78 115.64 112.83 3kl2 s THR 227 Ca 0.29 -0.84 0.05 0.00 -1.18 0.00 0.00 61.69 60.01 3kl2 s THR 227 Cb 0.05 -3.51 0.28 0.00 1.34 0.00 0.00 72.50 70.66 3kl2 s THR 227 CO 0.10 -0.25 1.99 0.77 -0.54 0.00 0.00 174.62 176.70 3kl2 h SER 228 N 0.79 0.64 -0.51 3.99 4.64 -1.93 -1.22 113.55 119.96 3kl2 h SER 228 Ca -0.47 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 60.74 3kl2 h SER 228 Cb 1.25 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3kl2 h SER 228 CO 0.55 0.44 -0.06 0.00 -0.87 0.00 0.00 176.83 176.89 3kl2 h ALA 229 N 1.63 0.87 -0.32 5.18 0.00 -1.96 -0.77 119.26 123.90 3kl2 h ALA 229 Ca 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3kl2 h ALA 229 Cb 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kl2 h ALA 229 CO -0.07 0.65 0.15 -0.44 0.00 0.00 0.00 179.25 179.54 3kl2 h ASP 230 N 0.88 0.43 -0.25 0.00 3.32 -1.63 -0.80 116.42 118.37 3kl2 h ASP 230 Ca 0.15 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 3kl2 h ASP 230 Cb 0.60 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 3kl2 h ASP 230 CO 0.04 0.44 -0.22 0.58 -1.72 0.00 0.00 179.24 178.36 3kl2 h VAL 231 N 0.38 1.31 -0.64 -1.35 2.07 -1.41 -2.36 116.25 114.26 3kl2 h VAL 231 Ca 0.11 -1.37 0.08 0.00 0.82 0.00 0.00 66.70 66.35 3kl2 h VAL 231 Cb 0.13 1.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.49 3kl2 h VAL 231 CO -0.01 0.43 0.29 0.40 0.02 0.00 0.00 177.57 178.70 3kl2 h ILE 232 N 0.29 0.84 -0.68 4.57 2.04 -1.03 -1.41 117.51 122.12 3kl2 h ILE 232 Ca 0.04 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 3kl2 h ILE 232 Cb 0.77 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3kl2 h ILE 232 CO 0.06 0.09 0.34 0.00 0.00 0.00 0.00 178.15 178.64 3kl2 h ALA 233 N 1.40 0.88 0.00 1.87 0.00 -1.07 -1.74 119.26 120.60 3kl2 h ALA 233 Ca 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kl2 h ALA 233 Cb 0.32 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3kl2 h ALA 233 CO -0.26 0.42 -0.02 0.00 0.00 0.00 0.00 179.25 179.40 3kl2 h ALA 234 N 1.16 1.08 -0.03 0.00 0.00 -0.74 -3.52 119.26 117.22 3kl2 h ALA 234 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kl2 h ALA 234 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kl2 h ALA 234 CO -0.03 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.52