#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 2.17 -0.38 -1.84 1.43 -1.26 -5.10 118.68 113.70 3kl2 s LEU 38 Ca 0.00 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.45 3kl2 s LEU 38 Cb 0.00 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.81 3kl2 s LEU 38 CO 0.00 0.18 0.24 -0.62 0.23 0.00 0.00 176.35 176.38 3kl2 s ASP 39 N 0.24 5.91 0.40 2.29 3.68 -1.26 -4.92 116.67 123.00 3kl2 s ASP 39 Ca -0.15 -0.82 0.25 0.00 2.13 0.00 0.00 52.55 53.96 3kl2 s ASP 39 Cb -0.17 -2.09 1.40 0.00 -1.45 0.00 0.00 42.92 40.61 3kl2 s ASP 39 CO 0.08 -0.37 1.58 -0.65 0.13 0.00 0.00 175.17 175.94 3kl2 h PRO 40 N 8.51 0.01 0.00 4.34 0.11 -1.92 -1.17 132.00 141.88 3kl2 h PRO 40 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kl2 h PRO 40 Cb 1.12 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kl2 h PRO 40 CO 0.68 0.01 -0.00 0.00 -0.21 0.00 0.00 178.00 178.48 3kl2 n ALA 41 N -2.36 2.32 -0.73 -0.75 0.00 -1.26 -3.50 120.51 114.23 3kl2 n ALA 41 Ca 0.39 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.75 3kl2 n ALA 41 Cb 1.40 -1.47 0.02 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.62 1.36 -4.46 0.00 1.74 -0.48 -4.65 116.66 108.54 3kl2 n ARG 42 Ca 0.07 -1.22 -0.29 0.00 -0.77 0.00 0.00 57.85 55.63 3kl2 n ARG 42 Cb 0.35 -0.83 -0.13 0.00 -1.02 0.00 0.00 32.46 30.84 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 -0.77 2.52 0.03 0.55 2.01 -0.94 -1.26 115.64 117.78 3kl2 s THR 43 Ca 0.04 -1.55 0.01 0.00 0.31 0.00 0.00 61.69 60.51 3kl2 s THR 43 Cb 0.04 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 3kl2 s THR 43 CO 0.00 0.16 -0.06 0.00 -0.69 0.00 0.00 174.62 174.03 3kl2 s ALA 44 N -1.04 0.42 -0.21 7.40 0.00 -0.42 -4.14 121.76 123.77 3kl2 s ALA 44 Ca 0.15 -0.69 -0.13 0.00 0.00 0.00 0.00 51.96 51.29 3kl2 s ALA 44 Cb -0.10 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 3kl2 s ALA 44 CO 0.07 -0.06 0.26 0.42 0.00 0.00 0.00 175.76 176.45 3kl2 s ILE 45 N -1.37 5.30 -0.25 0.00 -1.09 -0.71 -1.04 121.20 122.04 3kl2 s ILE 45 Ca -0.12 0.42 -0.02 0.00 -2.23 0.00 0.00 60.65 58.71 3kl2 s ILE 45 Cb -0.10 -3.60 0.03 0.00 -1.58 0.00 0.00 42.46 37.21 3kl2 s ILE 45 CO -0.00 0.33 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.29 3kl2 s VAL 46 N 0.98 2.90 -0.31 2.92 1.01 0.90 -0.02 120.40 128.79 3kl2 s VAL 46 Ca 0.13 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 3kl2 s VAL 46 Cb -0.14 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.77 3kl2 s VAL 46 CO 0.05 0.18 0.10 -0.76 0.00 0.00 0.00 175.10 174.67 3kl2 s LEU 47 N 1.32 3.99 -0.40 3.92 1.43 -0.13 -2.12 118.68 126.70 3kl2 s LEU 47 Ca -0.00 -0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 52.21 3kl2 s LEU 47 Cb -0.17 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.15 3kl2 s LEU 47 CO -0.04 -0.22 0.38 -0.63 0.23 0.00 0.00 176.35 176.08 3kl2 s ILE 48 N 1.52 5.15 -1.38 -0.59 1.01 0.34 -0.88 121.20 126.36 3kl2 s ILE 48 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 3kl2 s ILE 48 Cb -0.17 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.35 3kl2 s ILE 48 CO 0.03 -0.30 0.37 -0.62 0.00 0.00 0.00 174.94 174.42 3kl2 n GLU 49 N 5.44 -3.36 -1.27 2.79 1.02 -0.68 -0.96 120.64 123.61 3kl2 n GLU 49 Ca -0.09 0.80 -0.40 0.00 -0.02 0.00 0.00 57.16 57.46 3kl2 n GLU 49 Cb 0.48 -5.35 -0.03 0.00 -0.02 0.00 0.00 31.44 26.51 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 -4.24 2.33 -4.33 -0.32 4.01 -1.26 -4.64 117.16 108.72 3kl2 n TYR 50 Ca -0.13 -2.27 -0.28 0.00 -0.16 0.00 0.00 57.90 55.07 3kl2 n TYR 50 Cb 0.62 -2.01 -0.11 0.00 -0.31 0.00 0.00 39.34 37.54 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 4.05 1.84 0.50 -0.72 -0.21 -1.26 -1.51 119.66 122.35 3kl2 s GLN 51 Ca 0.53 -1.31 0.29 0.00 0.02 0.00 0.00 55.36 54.89 3kl2 s GLN 51 Cb 0.14 -2.07 1.39 0.00 1.00 0.00 0.00 33.01 33.48 3kl2 s GLN 51 CO 0.02 0.44 1.84 -0.91 -2.12 0.00 0.00 175.29 174.56 3kl2 h ASN 52 N 3.24 0.12 -0.88 5.90 2.35 -1.13 0.13 115.58 125.32 3kl2 h ASN 52 Ca -0.48 0.02 0.10 0.00 -0.55 0.00 0.00 56.30 55.40 3kl2 h ASN 52 Cb 1.19 -0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.50 3kl2 h ASN 52 CO 0.50 0.03 0.57 -0.08 -1.65 0.00 0.00 177.43 176.80 3kl2 h GLU 53 N 0.11 0.81 0.00 0.81 4.57 -1.55 -2.75 114.58 116.59 3kl2 h GLU 53 Ca 0.50 -0.05 -0.19 0.00 -1.18 0.00 0.00 59.36 58.44 3kl2 h GLU 53 Cb 1.79 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 30.17 3kl2 h GLU 53 CO -0.08 0.54 -1.06 0.74 -1.18 0.00 0.00 179.01 177.97 3kl2 h PHE 54 N 0.84 0.01 0.00 0.92 0.04 -1.10 -0.95 116.94 116.70 3kl2 h PHE 54 Ca 0.41 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.17 3kl2 h PHE 54 Cb 0.46 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 3kl2 h PHE 54 CO -0.00 1.41 -0.59 1.79 -0.60 0.00 0.00 178.31 180.32 3kl2 h THR 55 N -0.98 0.00 -4.02 -1.55 1.35 -0.96 -3.33 112.91 103.42 3kl2 h THR 55 Ca -0.29 -0.66 -0.41 0.00 -0.55 0.00 0.00 66.41 64.51 3kl2 h THR 55 Cb 1.27 1.30 -0.25 0.00 -1.73 0.00 0.00 68.15 68.74 3kl2 h THR 55 CO -0.17 0.00 -0.78 -0.44 -0.25 0.00 0.00 175.52 173.88 3kl2 s SER 56 N -4.71 1.40 -0.01 5.36 0.01 -1.05 -5.01 113.70 109.69 3kl2 s SER 56 Ca 0.05 -0.41 -0.39 0.00 1.31 0.00 0.00 55.95 56.51 3kl2 s SER 56 Cb 0.12 -0.09 -0.19 0.00 0.21 0.00 0.00 66.02 66.07 3kl2 s SER 56 CO 0.72 0.01 1.20 0.47 0.41 0.00 0.00 173.24 176.05 3kl2 n ASP 57 N 2.04 0.60 0.00 2.44 8.00 -1.26 -0.75 116.55 127.62 3kl2 n ASP 57 Ca -0.18 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.47 3kl2 n ASP 57 Cb 0.55 -1.00 0.00 0.00 -0.02 0.00 0.00 41.12 40.65 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 2.01 3.17 3.77 0.44 0.00 -1.26 -5.05 105.19 108.27 3kl2 n GLY 58 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3kl2 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl2 s GLY 59 N -2.56 2.92 0.39 -0.02 0.00 0.07 -4.90 107.32 103.22 3kl2 s GLY 59 Ca 0.00 1.44 0.09 0.00 0.00 0.00 0.00 44.72 46.24 3kl2 s GLY 59 CO 0.00 2.05 1.99 -2.08 0.00 0.00 0.00 173.10 175.06 3kl2 h VAL 60 N 2.38 1.00 -0.36 1.40 2.07 -1.84 -2.66 116.25 118.25 3kl2 h VAL 60 Ca -0.51 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3kl2 h VAL 60 Cb 1.26 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3kl2 h VAL 60 CO 0.62 0.11 0.00 0.18 0.02 0.00 0.00 177.57 178.50 3kl2 n LEU 61 N -4.48 3.26 -0.03 2.57 4.77 -0.46 -4.68 117.00 117.96 3kl2 n LEU 61 Ca 0.09 -2.24 -0.16 0.00 -0.03 0.00 0.00 56.01 53.67 3kl2 n LEU 61 Cb 0.24 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 40.92 3kl2 n LEU 61 CO 0.34 0.73 0.38 -0.74 -1.33 0.00 0.00 177.39 176.78 3kl2 h HIS 62 N 2.16 0.66 -0.84 -1.77 2.76 -0.93 -3.21 115.15 113.98 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 0.93 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.74 3kl2 h HIS 62 CO 0.32 1.06 0.55 0.78 -1.30 0.00 0.00 177.93 179.34 3kl2 h GLY 63 N 0.07 1.20 2.00 5.26 0.00 -1.83 -0.13 103.07 109.63 3kl2 h GLY 63 Ca -0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 3kl2 h GLY 63 CO 0.10 0.33 -0.29 0.00 0.00 0.00 0.00 176.54 176.68 3kl2 h ALA 64 N 1.52 1.52 -0.01 3.60 0.00 -1.89 -3.13 119.26 120.87 3kl2 h ALA 64 Ca 0.34 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kl2 h ALA 64 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3kl2 h ALA 64 CO -0.11 0.36 -0.21 1.33 0.00 0.00 0.00 179.25 180.62 3kl2 n VAL 65 N -4.19 0.00 -0.03 0.00 0.24 -0.60 -4.26 118.33 109.49 3kl2 n VAL 65 Ca -0.02 -0.40 -0.09 0.00 -2.04 0.00 0.00 64.34 61.79 3kl2 n VAL 65 Cb 0.33 1.19 -0.03 0.00 -1.47 0.00 0.00 33.84 33.87 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 2.46 0.08 -0.81 2.33 0.00 -1.00 -0.91 119.26 121.40 3kl2 h ALA 66 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3kl2 h ALA 66 Cb 0.49 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3kl2 h ALA 66 CO 0.00 -0.51 0.52 -0.44 0.00 0.00 0.00 179.25 178.83 3kl2 h ASP 67 N -0.04 0.89 -0.17 0.00 3.32 -1.84 0.25 116.42 118.82 3kl2 h ASP 67 Ca 0.09 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 3kl2 h ASP 67 Cb 0.18 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3kl2 h ASP 67 CO -0.20 0.62 -0.45 0.58 -1.72 0.00 0.00 179.24 178.07 3kl2 h VAL 68 N 1.04 1.34 -0.56 -1.35 2.07 -1.75 -0.44 116.25 116.60 3kl2 h VAL 68 Ca 0.31 -1.71 0.11 0.00 0.82 0.00 0.00 66.70 66.23 3kl2 h VAL 68 Cb -0.05 1.97 -0.11 0.00 -1.52 0.00 0.00 31.29 31.58 3kl2 h VAL 68 CO -0.09 0.52 -0.28 0.24 0.02 0.00 0.00 177.57 177.98 3kl2 h MET 69 N 0.26 -0.13 -0.45 1.57 2.86 -0.89 -0.46 114.93 117.70 3kl2 h MET 69 Ca -0.01 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3kl2 h MET 69 Cb 1.07 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 3kl2 h MET 69 CO 0.10 -0.09 0.19 0.37 1.06 0.00 0.00 176.91 178.54 3kl2 h GLN 70 N -0.13 0.67 -0.50 1.72 4.15 -0.33 -1.63 115.11 119.05 3kl2 h GLN 70 Ca 0.24 -0.12 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 3kl2 h GLN 70 Cb 0.52 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 3kl2 h GLN 70 CO -0.64 0.61 -0.10 1.25 -1.93 0.00 0.00 178.83 178.01 3kl2 h HIS 71 N 0.59 1.03 0.00 3.99 2.76 -0.78 -3.08 115.15 119.66 3kl2 h HIS 71 Ca 0.15 -0.20 -0.21 0.00 -2.20 0.00 0.00 60.37 57.91 3kl2 h HIS 71 Cb 0.18 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 3kl2 h HIS 71 CO 0.00 0.98 -1.04 1.79 -1.30 0.00 0.00 177.93 178.36 3kl2 h THR 72 N 0.84 1.58 -2.44 6.26 1.35 -1.08 -3.48 112.91 115.94 3kl2 h THR 72 Ca 0.13 -3.28 -0.27 0.00 -0.55 0.00 0.00 66.41 62.44 3kl2 h THR 72 Cb 0.64 2.78 0.01 0.00 -1.73 0.00 0.00 68.15 69.85 3kl2 h THR 72 CO 0.04 0.90 -0.38 0.61 -0.25 0.00 0.00 175.52 176.45 3kl2 n GLY 73 N 1.36 -0.17 0.29 5.82 0.00 -0.62 -4.92 105.19 106.95 3kl2 n GLY 73 Ca -0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.37 0.81 0.63 1.61 -0.00 -1.69 -1.08 114.93 114.84 3kl2 h MET 74 Ca -0.34 -0.21 -0.03 0.00 -0.00 0.00 0.00 59.70 59.12 3kl2 h MET 74 Cb 1.24 -0.10 0.01 0.00 -0.00 0.00 0.00 31.60 32.75 3kl2 h MET 74 CO 0.39 0.80 -0.30 1.25 -0.00 0.00 0.00 176.91 179.04 3kl2 h LEU 75 N 0.76 -0.72 -1.14 -0.10 5.85 -1.88 0.15 115.31 118.22 3kl2 h LEU 75 Ca 0.15 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 3kl2 h LEU 75 Cb 0.43 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3kl2 h LEU 75 CO 0.02 -0.52 -0.08 0.00 -0.34 0.00 0.00 178.44 177.52 3kl2 h ALA 76 N -0.47 1.29 -0.35 1.25 0.00 -1.93 -2.19 119.26 116.85 3kl2 h ALA 76 Ca -0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3kl2 h ALA 76 Cb 0.65 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kl2 h ALA 76 CO 0.14 0.47 0.11 -0.91 0.00 0.00 0.00 179.25 179.07 3kl2 h ASN 77 N 0.47 0.52 -0.58 0.00 2.35 -1.03 -2.05 115.58 115.26 3kl2 h ASN 77 Ca 0.09 -0.21 -0.03 0.00 -0.55 0.00 0.00 56.30 55.60 3kl2 h ASN 77 Cb 0.44 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 3kl2 h ASN 77 CO 0.02 0.59 0.25 0.74 -1.65 0.00 0.00 177.43 177.38 3kl2 h THR 78 N 0.42 1.22 -0.60 2.81 2.02 -0.43 -0.95 112.91 117.40 3kl2 h THR 78 Ca 0.11 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.65 3kl2 h THR 78 Cb 0.26 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.21 3kl2 h THR 78 CO -0.00 0.26 0.38 0.58 0.37 0.00 0.00 175.52 177.10 3kl2 h VAL 79 N 0.80 1.09 -0.31 3.16 2.07 -1.33 0.19 116.25 121.93 3kl2 h VAL 79 Ca 0.20 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 3kl2 h VAL 79 Cb 0.17 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3kl2 h VAL 79 CO -0.02 0.14 -0.02 0.00 0.02 0.00 0.00 177.57 177.69 3kl2 h ALA 80 N 1.25 1.40 -0.48 1.67 0.00 -1.10 -1.56 119.26 120.43 3kl2 h ALA 80 Ca 0.24 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3kl2 h ALA 80 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3kl2 h ALA 80 CO -0.09 0.42 -0.09 0.28 0.00 0.00 0.00 179.25 179.77 3kl2 h VAL 81 N 0.46 1.27 -0.48 0.00 2.07 -0.01 -2.76 116.25 116.80 3kl2 h VAL 81 Ca 0.10 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 3kl2 h VAL 81 Cb 0.33 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3kl2 h VAL 81 CO 0.01 0.42 0.11 0.58 0.02 0.00 0.00 177.57 178.71 3kl2 h VAL 82 N 0.76 1.24 0.18 2.57 2.07 -0.66 -0.35 116.25 122.06 3kl2 h VAL 82 Ca 0.12 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.79 3kl2 h VAL 82 Cb 0.64 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3kl2 h VAL 82 CO 0.04 0.31 -0.23 0.44 0.02 0.00 0.00 177.57 178.16 3kl2 h ASP 83 N 0.66 -0.62 -1.00 0.57 3.32 -1.32 0.30 116.42 118.34 3kl2 h ASP 83 Ca 0.15 0.06 0.12 0.00 0.02 0.00 0.00 57.03 57.39 3kl2 h ASP 83 Cb 0.35 0.22 -0.09 0.00 0.22 0.00 0.00 39.33 40.04 3kl2 h ASP 83 CO 0.00 -0.32 0.62 0.00 -1.72 0.00 0.00 179.24 177.82 3kl2 h ALA 84 N 0.27 1.51 -0.36 3.45 0.00 -1.33 -2.19 119.26 120.62 3kl2 h ALA 84 Ca 0.01 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3kl2 h ALA 84 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kl2 h ALA 84 CO -0.08 0.20 -0.25 0.00 0.00 0.00 0.00 179.25 179.11 3kl2 h ALA 85 N 1.54 0.51 -0.60 0.00 0.00 0.08 -1.28 119.26 119.52 3kl2 h ALA 85 Ca 0.50 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kl2 h ALA 85 Cb 0.52 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3kl2 h ALA 85 CO -0.27 0.51 0.37 0.00 0.00 0.00 0.00 179.25 179.85 3kl2 h ARG 86 N 0.59 0.81 -0.51 0.00 2.47 -0.02 0.13 114.38 117.84 3kl2 h ARG 86 Ca 0.07 -0.07 -0.09 0.00 -1.26 0.00 0.00 59.98 58.64 3kl2 h ARG 86 Cb 0.82 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 3kl2 h ARG 86 CO 0.07 0.57 -0.02 1.96 0.56 0.00 0.00 179.97 183.11 3kl2 h GLN 87 N 0.81 0.91 0.00 0.04 4.20 -1.36 -2.12 115.11 117.59 3kl2 h GLN 87 Ca 0.22 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3kl2 h GLN 87 Cb -0.04 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.66 3kl2 h GLN 87 CO -0.04 0.95 0.00 0.00 -0.67 0.00 0.00 178.83 179.06 3kl2 n ALA 88 N -2.45 2.37 -1.91 3.87 0.00 -0.49 -4.90 120.51 117.00 3kl2 n ALA 88 Ca 0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.25 3kl2 n ALA 88 Cb 0.33 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 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 0.57 0.28 3.70 0.00 0.00 -0.80 -4.80 105.19 104.14 3kl2 n GLY 89 Ca 0.17 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.26 5.20 0.33 1.61 1.01 0.40 -4.83 120.40 121.87 3kl2 s VAL 90 Ca 0.00 0.80 -0.29 0.00 0.00 0.00 0.00 61.98 62.49 3kl2 s VAL 90 Cb 0.00 -3.76 -0.11 0.00 0.00 0.00 0.00 36.38 32.51 3kl2 s VAL 90 CO 0.00 0.29 1.48 -2.16 0.00 0.00 0.00 175.10 174.71 3kl2 s PRO 91 N 0.96 4.17 -0.29 2.72 0.04 -1.26 -4.27 135.00 137.07 3kl2 s PRO 91 Ca 0.22 2.49 -0.14 0.00 0.04 0.00 0.00 61.00 63.60 3kl2 s PRO 91 Cb -0.15 -3.01 -0.03 0.00 0.04 0.00 0.00 34.50 31.35 3kl2 s PRO 91 CO 0.08 -0.49 0.33 0.42 0.04 0.00 0.00 177.00 177.38 3kl2 s ILE 92 N -0.73 5.20 -0.21 0.56 -1.09 -1.26 -1.73 121.20 121.94 3kl2 s ILE 92 Ca 0.55 0.35 -0.04 0.00 -2.23 0.00 0.00 60.65 59.29 3kl2 s ILE 92 Cb -0.45 -3.70 -0.01 0.00 -1.58 0.00 0.00 42.46 36.72 3kl2 s ILE 92 CO 0.56 0.11 -0.03 -0.04 -1.23 0.00 0.00 174.94 174.31 3kl2 s MET 93 N 1.99 3.47 -0.18 2.79 -1.94 0.98 -2.00 119.30 124.41 3kl2 s MET 93 Ca 0.12 -0.59 -0.09 0.00 -1.71 0.00 0.00 55.69 53.43 3kl2 s MET 93 Cb -0.16 -3.02 -0.05 0.00 2.01 0.00 0.00 34.83 33.62 3kl2 s MET 93 CO 0.11 -0.10 0.12 -1.01 -0.01 0.00 0.00 175.02 174.13 3kl2 s HIS 94 N 1.26 3.44 -0.67 -0.03 3.76 0.04 -0.96 115.29 122.12 3kl2 s HIS 94 Ca 0.03 0.35 0.05 0.00 -0.15 0.00 0.00 55.06 55.34 3kl2 s HIS 94 Cb -0.14 -2.09 0.16 0.00 1.11 0.00 0.00 32.58 31.62 3kl2 s HIS 94 CO -0.01 0.39 0.46 0.00 -0.85 0.00 0.00 174.74 174.73 3kl2 s ALA 95 N -0.00 3.63 0.34 -1.40 0.00 -0.06 -0.17 121.76 124.11 3kl2 s ALA 95 Ca 0.09 -3.70 -0.16 0.00 0.00 0.00 0.00 51.96 48.19 3kl2 s ALA 95 Cb -0.11 -2.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.78 3kl2 s ALA 95 CO -0.00 -2.08 0.78 -1.25 0.00 0.00 0.00 175.76 173.21 3kl2 s PRO 96 N -1.24 4.06 -0.03 0.00 0.04 -1.26 -1.69 135.00 134.87 3kl2 s PRO 96 Ca 0.24 0.77 -0.00 0.00 0.04 0.00 0.00 61.00 62.05 3kl2 s PRO 96 Cb -0.07 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 3kl2 s PRO 96 CO -0.15 0.12 0.02 -1.50 0.04 0.00 0.00 177.00 175.53 3kl2 s ILE 97 N -2.02 4.37 0.06 0.56 2.07 -1.26 -4.34 121.20 120.63 3kl2 s ILE 97 Ca 0.56 -0.42 -0.24 0.00 -1.41 0.00 0.00 60.65 59.13 3kl2 s ILE 97 Cb -0.10 -2.92 0.06 0.00 0.13 0.00 0.00 42.46 39.63 3kl2 s ILE 97 CO 0.16 0.45 0.58 0.42 -1.91 0.00 0.00 174.94 174.64 3kl2 s THR 98 N -1.04 0.02 -0.03 4.00 -4.23 -1.22 -4.85 115.64 108.28 3kl2 s THR 98 Ca 0.18 -0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 60.56 3kl2 s THR 98 Cb -0.12 -0.99 0.03 0.00 1.34 0.00 0.00 72.50 72.76 3kl2 s THR 98 CO 0.08 -0.07 0.07 -0.36 -0.54 0.00 0.00 174.62 173.80 3kl2 s PHE 99 N -2.58 -0.04 0.22 3.99 0.08 -0.18 -4.71 117.98 114.77 3kl2 s PHE 99 Ca -0.05 0.24 -0.31 0.00 0.12 0.00 0.00 56.93 56.94 3kl2 s PHE 99 Cb -0.01 -0.17 -0.15 0.00 -0.57 0.00 0.00 43.02 42.13 3kl2 s PHE 99 CO -0.03 -0.11 1.18 0.00 -0.10 0.00 0.00 175.22 176.16 3kl2 n ALA 100 N 4.12 -0.14 -1.67 5.36 0.00 -1.26 -1.13 120.51 125.79 3kl2 n ALA 100 Ca -0.26 0.43 -0.44 0.00 0.00 0.00 0.00 53.44 53.16 3kl2 n ALA 100 Cb 0.51 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.85 3kl2 n ALA 100 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kl2 n GLU 101 N 1.50 1.98 -0.03 0.00 -0.58 -1.26 -0.89 120.64 121.34 3kl2 n GLU 101 Ca 0.12 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.57 3kl2 n GLU 101 Cb 0.28 -2.32 0.00 0.00 -0.57 0.00 0.00 31.44 28.83 3kl2 n GLU 101 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kl2 n GLY 102 N 1.82 0.73 2.83 0.62 0.00 -1.26 -4.53 105.19 105.39 3kl2 n GLY 102 Ca 0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.60 0.32 1.61 4.01 -0.07 -4.83 117.16 114.59 3kl2 n TYR 103 Ca 0.00 0.24 0.12 0.00 -0.16 0.00 0.00 57.90 58.10 3kl2 n TYR 103 Cb 0.00 -3.18 0.56 0.00 -0.31 0.00 0.00 39.34 36.41 3kl2 n TYR 103 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3kl2 h GLY 104 N -0.54 0.00 2.00 2.72 0.00 -1.80 -2.38 103.07 103.08 3kl2 h GLY 104 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3kl2 h GLY 104 CO 0.46 0.00 0.00 1.18 0.00 0.00 0.00 176.54 178.18 3kl2 n GLU 105 N -2.33 0.17 -4.25 4.80 1.02 -1.26 -4.87 120.64 113.93 3kl2 n GLU 105 Ca 0.01 0.22 -0.23 0.00 -0.02 0.00 0.00 57.16 57.14 3kl2 n GLU 105 Cb 0.17 -1.73 -0.07 0.00 -0.02 0.00 0.00 31.44 29.79 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 -4.08 3.31 0.29 -4.62 1.43 -0.90 -5.11 118.68 109.01 3kl2 s LEU 106 Ca 0.10 -0.59 -0.26 0.00 -1.03 0.00 0.00 54.13 52.35 3kl2 s LEU 106 Cb 0.13 -1.82 -0.16 0.00 0.03 0.00 0.00 46.19 44.37 3kl2 s LEU 106 CO 0.51 -0.03 0.48 1.07 0.23 0.00 0.00 176.35 178.61 3kl2 n THR 107 N -0.97 1.65 0.73 5.49 5.66 -1.26 -4.90 114.28 120.68 3kl2 n THR 107 Ca -0.06 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 60.54 3kl2 n THR 107 Cb 0.59 -0.21 0.44 0.00 -1.55 0.00 0.00 70.33 69.61 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 0.98 0.03 -3.20 1.09 1.74 -1.26 -4.06 116.66 111.98 3kl2 n ARG 108 Ca 0.14 0.14 -0.23 0.00 -0.77 0.00 0.00 57.85 57.13 3kl2 n ARG 108 Cb 0.32 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.20 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 -1.48 1.26 -1.26 -1.55 8.25 -1.26 -5.13 115.22 114.05 3kl2 n HIS 109 Ca 0.05 -3.82 -0.29 0.00 -0.26 0.00 0.00 57.72 53.40 3kl2 n HIS 109 Cb 0.23 -0.43 0.14 0.00 1.12 0.00 0.00 29.99 31.05 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 -2.14 1.14 0.12 -0.41 0.04 -1.26 -5.06 135.00 127.42 3kl2 s PRO 110 Ca 0.40 0.69 -0.04 0.00 0.04 0.00 0.00 61.00 62.08 3kl2 s PRO 110 Cb 0.23 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.94 3kl2 s PRO 110 CO -0.09 -2.29 0.12 1.52 0.04 0.00 0.00 177.00 176.30 3kl2 s TYR 111 N -2.99 0.56 0.00 0.56 1.13 -1.26 -4.74 117.35 110.61 3kl2 s TYR 111 Ca 0.64 -0.98 0.00 0.00 -1.41 0.00 0.00 57.07 55.32 3kl2 s TYR 111 Cb -0.17 -0.29 0.00 0.00 -1.10 0.00 0.00 41.96 40.40 3kl2 s TYR 111 CO 0.56 -0.54 0.00 0.41 -2.51 0.00 0.00 175.55 173.47 3kl2 n GLY 112 N -0.08 -1.53 0.36 5.49 0.00 -1.26 -4.06 105.19 104.11 3kl2 n GLY 112 Ca -0.09 -1.34 0.03 0.00 0.00 0.00 0.00 46.02 44.62 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 1.10 0.00 -0.61 6.09 -2.02 -2.11 117.51 119.96 3kl2 h ILE 113 Ca 0.00 -0.34 -0.03 0.00 -1.37 0.00 0.00 64.86 63.12 3kl2 h ILE 113 Cb 0.00 0.03 -0.00 0.00 0.47 0.00 0.00 36.82 37.32 3kl2 h ILE 113 CO 0.00 0.18 -0.15 -0.07 -3.07 0.00 0.00 178.15 175.04 3kl2 h LEU 114 N 0.98 0.00 -1.11 2.19 3.38 -1.99 -1.83 115.31 116.93 3kl2 h LEU 114 Ca 0.34 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.41 3kl2 h LEU 114 Cb 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 3kl2 h LEU 114 CO -0.11 0.15 0.61 0.50 0.09 0.00 0.00 178.44 179.68 3kl2 h LYS 115 N 0.00 0.93 -0.09 1.13 3.64 -1.52 -1.92 116.57 118.74 3kl2 h LYS 115 Ca -0.00 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 3kl2 h LYS 115 Cb 0.48 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3kl2 h LYS 115 CO 0.02 0.62 -0.55 0.78 -2.27 0.00 0.00 179.45 178.04 3kl2 h GLY 116 N 0.96 0.31 0.93 5.01 0.00 -1.45 -0.66 103.07 108.16 3kl2 h GLY 116 Ca 0.44 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 3kl2 h GLY 116 CO -0.20 0.32 -0.16 -2.08 0.00 0.00 0.00 176.54 174.41 3kl2 h VAL 117 N 0.22 0.68 0.66 4.60 2.07 -1.39 0.29 116.25 123.37 3kl2 h VAL 117 Ca 0.00 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 3kl2 h VAL 117 Cb 1.04 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3kl2 h VAL 117 CO 0.09 0.03 -0.41 0.58 0.02 0.00 0.00 177.57 177.88 3kl2 h VAL 118 N -0.53 0.00 -0.73 2.57 2.07 -1.31 -0.78 116.25 117.54 3kl2 h VAL 118 Ca -0.05 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.62 3kl2 h VAL 118 Cb 0.40 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.12 3kl2 h VAL 118 CO 0.08 0.00 0.49 0.44 0.02 0.00 0.00 177.57 178.60 3kl2 h ASP 119 N -1.00 0.35 1.22 0.57 3.32 -1.16 0.04 116.42 119.76 3kl2 h ASP 119 Ca -0.09 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3kl2 h ASP 119 Cb 0.80 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3kl2 h ASP 119 CO 0.08 0.18 -0.10 0.61 -1.72 0.00 0.00 179.24 178.30 3kl2 n GLY 120 N -1.53 -1.59 3.55 2.75 0.00 0.10 -4.94 105.19 103.52 3kl2 n GLY 120 Ca 0.14 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.99 -6.73 -3.58 1.61 5.02 -0.00 -5.00 118.16 107.50 3kl2 n LYS 121 Ca 0.06 0.80 -0.27 0.00 -2.02 0.00 0.00 58.31 56.87 3kl2 n LYS 121 Cb 0.40 -5.76 -0.03 0.00 -0.02 0.00 0.00 35.03 29.63 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 -3.39 3.76 -1.63 7.82 0.00 -0.87 -4.51 121.76 122.94 3kl2 s ALA 122 Ca 0.22 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 3kl2 s ALA 122 Cb -0.10 -2.08 0.00 0.00 0.00 0.00 0.00 23.12 20.94 3kl2 s ALA 122 CO 0.75 0.33 0.08 1.19 0.00 0.00 0.00 175.76 178.10 3kl2 n PHE 123 N -0.87 -1.19 -2.19 0.00 3.01 -1.26 -4.81 117.46 110.14 3kl2 n PHE 123 Ca -0.04 0.07 -0.42 0.00 1.01 0.00 0.00 57.45 58.07 3kl2 n PHE 123 Cb 0.54 -3.82 -0.03 0.00 -0.01 0.00 0.00 39.48 36.16 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 -2.99 3.36 0.36 -4.37 1.01 -1.26 -1.01 120.40 115.50 3kl2 s VAL 124 Ca 0.04 0.98 -0.27 0.00 0.00 0.00 0.00 61.98 62.73 3kl2 s VAL 124 Cb -0.02 -3.63 -0.12 0.00 0.00 0.00 0.00 36.38 32.61 3kl2 s VAL 124 CO 0.05 0.08 1.23 0.29 0.00 0.00 0.00 175.10 176.75 3kl2 n LYS 125 N 3.90 1.95 -1.50 2.72 5.02 -0.28 -2.53 118.16 127.43 3kl2 n LYS 125 Ca 0.11 0.69 -0.11 0.00 -2.02 0.00 0.00 58.31 56.98 3kl2 n LYS 125 Cb 0.43 -2.26 -0.04 0.00 -0.02 0.00 0.00 35.03 33.14 3kl2 n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kl2 n GLY 126 N 0.86 0.96 3.62 0.72 0.00 -1.26 -4.78 105.19 105.30 3kl2 n GLY 126 Ca 0.06 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.44 3.01 0.25 2.61 -4.23 -1.05 -5.02 115.64 108.77 3kl2 s THR 127 Ca 0.00 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 3kl2 s THR 127 Cb 0.00 -2.75 0.22 0.00 1.34 0.00 0.00 72.50 71.32 3kl2 s THR 127 CO 0.00 -0.31 1.81 -0.25 -0.54 0.00 0.00 174.62 175.33 3kl2 h TRP 128 N 1.90 0.90 -1.00 3.99 7.01 -1.97 -2.14 115.95 124.64 3kl2 h TRP 128 Ca -0.43 0.03 0.10 0.00 2.11 0.00 0.00 58.89 60.70 3kl2 h TRP 128 Cb 1.25 -0.28 -0.08 0.00 -2.10 0.00 0.00 29.16 27.96 3kl2 h TRP 128 CO 0.71 0.37 0.64 0.78 -2.79 0.00 0.00 178.44 178.14 3kl2 h GLY 129 N 0.83 1.60 2.00 2.65 0.00 -1.92 -1.46 103.07 106.76 3kl2 h GLY 129 Ca 0.41 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3kl2 h GLY 129 CO -0.25 0.23 0.00 0.00 0.00 0.00 0.00 176.54 176.53 3kl2 h ALA 130 N 1.50 1.00 -2.36 3.60 0.00 -1.57 -1.51 119.26 119.91 3kl2 h ALA 130 Ca 0.47 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.91 3kl2 h ALA 130 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.16 3kl2 h ALA 130 CO -0.23 0.00 0.38 0.00 0.00 0.00 0.00 179.25 179.40 3kl2 s ALA 131 N -3.44 3.03 0.15 0.00 0.00 -0.55 -4.82 121.76 116.14 3kl2 s ALA 131 Ca 0.04 0.60 -0.31 0.00 0.00 0.00 0.00 51.96 52.28 3kl2 s ALA 131 Cb 0.09 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 3kl2 s ALA 131 CO 0.49 -0.13 1.46 0.42 0.00 0.00 0.00 175.76 178.00 3kl2 s ILE 132 N -1.84 2.96 0.45 0.00 1.01 -1.26 -1.18 121.20 121.34 3kl2 s ILE 132 Ca 0.60 0.71 -0.24 0.00 0.00 0.00 0.00 60.65 61.72 3kl2 s ILE 132 Cb -0.18 -3.45 -0.09 0.00 0.01 0.00 0.00 42.46 38.76 3kl2 s ILE 132 CO 0.22 0.07 1.27 0.55 0.00 0.00 0.00 174.94 177.04 3kl2 n VAL 133 N 3.68 2.83 -0.26 2.92 3.14 -0.57 -4.67 118.33 125.41 3kl2 n VAL 133 Ca 0.11 -0.50 0.03 0.00 -2.96 0.00 0.00 64.34 61.02 3kl2 n VAL 133 Cb 0.41 -1.56 0.16 0.00 -1.06 0.00 0.00 33.84 31.78 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 1.88 0.46 0.35 6.55 3.32 -1.92 -0.92 116.42 126.15 3kl2 h ASP 134 Ca -0.48 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3kl2 h ASP 134 Cb 1.30 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3kl2 h ASP 134 CO 0.59 0.24 0.00 -1.84 -1.72 0.00 0.00 179.24 176.51 3kl2 n GLU 135 N -4.87 0.22 -0.74 3.56 0.00 -1.26 -1.93 120.64 115.62 3kl2 n GLU 135 Ca 0.13 0.13 0.06 0.00 0.00 0.00 0.00 57.16 57.48 3kl2 n GLU 135 Cb 0.32 -1.50 0.15 0.00 0.00 0.00 0.00 31.44 30.41 3kl2 n GLU 135 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3kl2 n LEU 136 N -1.31 2.19 -4.73 -1.84 4.77 -0.38 -4.94 117.00 110.76 3kl2 n LEU 136 Ca 0.08 -3.29 -0.42 0.00 -0.03 0.00 0.00 56.01 52.34 3kl2 n LEU 136 Cb 0.14 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3kl2 n LEU 136 CO 0.13 1.09 1.20 0.00 -1.33 0.00 0.00 177.39 178.48 3kl2 n ALA 137 N -0.75 2.26 -1.71 -1.18 0.00 -0.81 -4.80 120.51 113.52 3kl2 n ALA 137 Ca 0.15 0.38 -0.43 0.00 0.00 0.00 0.00 53.44 53.54 3kl2 n ALA 137 Cb 0.79 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 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 2.17 2.52 -4.53 0.00 -0.02 -1.26 -4.99 135.00 128.89 3kl2 n PRO 138 Ca 0.09 0.90 -0.27 0.00 -2.02 0.00 0.00 63.50 62.21 3kl2 n PRO 138 Cb 0.36 -2.68 -0.10 0.00 -0.02 0.00 0.00 33.50 31.05 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 0.49 2.14 0.00 -1.45 -7.23 -1.26 -4.99 120.40 108.10 3kl2 s VAL 139 Ca 0.70 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 3kl2 s VAL 139 Cb -0.56 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.50 3kl2 s VAL 139 CO 0.42 -0.07 0.00 -0.46 -0.31 0.00 0.00 175.10 174.68 3kl2 n ASN 140 N -0.95 0.00 0.00 4.85 0.23 -1.26 -0.17 115.26 117.96 3kl2 n ASN 140 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.00 3kl2 n ASN 140 Cb 0.65 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.35 3kl2 n ASN 140 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kl2 n GLY 141 N 0.00 3.19 3.75 4.83 0.00 -1.26 -5.04 105.19 110.66 3kl2 n GLY 141 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.08 5.35 -0.13 1.61 1.01 0.76 -4.85 116.67 120.50 3kl2 s ASP 142 Ca 0.00 2.59 -0.06 0.00 0.71 0.00 0.00 52.55 55.79 3kl2 s ASP 142 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3kl2 s ASP 142 CO 0.00 -1.50 0.11 -0.63 0.21 0.00 0.00 175.17 173.35 3kl2 s ILE 143 N -1.41 5.21 -0.41 0.77 1.01 -0.85 -4.87 121.20 120.65 3kl2 s ILE 143 Ca 0.72 0.10 0.01 0.00 0.00 0.00 0.00 60.65 61.48 3kl2 s ILE 143 Cb -0.36 -3.28 0.11 0.00 0.01 0.00 0.00 42.46 38.94 3kl2 s ILE 143 CO 0.42 0.58 0.16 -0.69 0.00 0.00 0.00 174.94 175.41 3kl2 s VAL 144 N -0.69 2.81 0.30 2.92 1.01 -1.26 -0.78 120.40 124.71 3kl2 s VAL 144 Ca 0.13 -2.38 -0.28 0.00 0.00 0.00 0.00 61.98 59.44 3kl2 s VAL 144 Cb -0.12 -2.98 -0.13 0.00 0.00 0.00 0.00 36.38 33.15 3kl2 s VAL 144 CO 0.03 -0.68 1.16 -0.38 0.00 0.00 0.00 175.10 175.23 3kl2 n ILE 145 N 4.21 1.88 -4.33 2.22 2.08 0.76 -4.94 119.36 121.24 3kl2 n ILE 145 Ca 0.02 -0.47 -0.29 0.00 0.56 0.00 0.00 62.75 62.57 3kl2 n ILE 145 Cb 0.40 -1.27 -0.11 0.00 -0.75 0.00 0.00 39.64 37.91 3kl2 n ILE 145 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3kl2 s GLU 146 N -1.56 1.78 0.00 0.38 2.02 -1.26 -4.43 118.70 115.62 3kl2 s GLU 146 Ca 0.58 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 54.40 3kl2 s GLU 146 Cb -0.65 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 31.48 3kl2 s GLU 146 CO 0.60 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.77 3kl2 n GLY 147 N 0.84 2.46 3.68 -1.39 0.00 -1.26 -2.81 105.19 106.71 3kl2 n GLY 147 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3kl2 n GLY 147 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kl2 s LYS 148 N -0.33 4.14 0.00 1.61 2.20 -1.23 -4.65 119.74 121.48 3kl2 s LYS 148 Ca 0.00 2.57 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 3kl2 s LYS 148 Cb 0.00 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 3kl2 s LYS 148 CO 0.00 -0.87 0.00 0.54 -0.36 0.00 0.00 175.35 174.66 3kl2 n ARG 149 N 6.31 3.16 0.00 4.03 5.12 -1.26 -3.37 116.66 130.65 3kl2 n ARG 149 Ca 0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 3kl2 n ARG 149 Cb 0.39 -0.57 0.00 0.00 -1.16 0.00 0.00 32.46 31.12 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 1.01 5.77 0.13 -0.13 0.00 -1.26 -5.02 105.19 105.69 3kl2 n GLY 150 Ca 0.00 -1.98 -0.22 0.00 0.00 0.00 0.00 46.02 43.83 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 2.48 -4.61 0.99 7.99 -1.26 -4.77 117.00 117.82 3kl2 n LEU 151 Ca 0.00 0.19 -0.43 0.00 -0.01 0.00 0.00 56.01 55.76 3kl2 n LEU 151 Cb 0.00 -1.01 -0.02 0.00 -0.11 0.00 0.00 43.42 42.28 3kl2 n LEU 151 CO 0.00 0.72 1.25 -0.62 -1.51 0.00 0.00 177.39 177.24 3kl2 s ASP 152 N -6.94 6.39 0.38 -1.43 -1.08 -1.26 -4.43 116.67 108.30 3kl2 s ASP 152 Ca -0.28 1.08 0.10 0.00 -0.52 0.00 0.00 52.55 52.93 3kl2 s ASP 152 Cb 0.08 -2.54 0.88 0.00 -1.46 0.00 0.00 42.92 39.88 3kl2 s ASP 152 CO 0.66 -1.34 1.91 0.74 0.52 0.00 0.00 175.17 177.67 3kl2 h THR 153 N 6.32 0.87 0.00 1.71 2.02 -1.86 -0.77 112.91 121.21 3kl2 h THR 153 Ca -0.29 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3kl2 h THR 153 Cb 1.12 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3kl2 h THR 153 CO 1.06 0.11 0.00 -0.26 0.37 0.00 0.00 175.52 176.80 3kl2 h PHE 154 N 0.61 0.00 0.00 3.16 0.04 -1.90 -3.27 116.94 115.57 3kl2 h PHE 154 Ca 0.38 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.10 3kl2 h PHE 154 Cb 0.63 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.77 3kl2 h PHE 154 CO -0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 178.31 177.36 3kl2 h ALA 155 N 2.08 0.81 0.00 2.45 0.00 -1.54 -3.37 119.26 119.69 3kl2 h ALA 155 Ca 0.00 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 3kl2 h ALA 155 Cb 0.69 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 18.18 3kl2 h ALA 155 CO 0.00 0.31 -0.89 -1.13 0.00 0.00 0.00 179.25 177.54 3kl2 n SER 156 N -3.11 0.97 -3.74 0.00 3.41 -1.25 -5.06 113.62 104.84 3kl2 n SER 156 Ca 0.02 -2.24 -0.19 0.00 -0.26 0.00 0.00 58.87 56.20 3kl2 n SER 156 Cb 0.63 -0.31 -0.09 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.42 0.18 -1.10 6.66 -4.23 -1.23 -3.55 115.64 111.94 3kl2 s THR 157 Ca 0.30 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.93 3kl2 s THR 157 Cb 0.33 -2.48 0.54 0.00 1.34 0.00 0.00 72.50 72.24 3kl2 s THR 157 CO -0.13 0.00 1.39 -0.46 -0.54 0.00 0.00 174.62 174.88 3kl2 n ASN 158 N -1.20 3.75 0.17 3.99 0.23 -1.12 -4.58 115.26 116.49 3kl2 n ASN 158 Ca 0.03 -2.39 -0.14 0.00 -0.53 0.00 0.00 54.58 51.55 3kl2 n ASN 158 Cb 0.64 -0.52 -0.07 0.00 -2.08 0.00 0.00 39.78 37.75 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 2.96 -0.77 -0.35 -4.53 5.85 -1.86 -1.09 115.31 115.52 3kl2 h LEU 159 Ca 0.00 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.80 3kl2 h LEU 159 Cb 1.21 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 3kl2 h LEU 159 CO 0.21 -0.40 0.22 -0.78 -0.34 0.00 0.00 178.44 177.34 3kl2 h ASP 160 N -0.58 0.36 -0.46 1.25 3.58 -1.90 0.10 116.42 118.78 3kl2 h ASP 160 Ca -0.00 -0.00 0.07 0.00 0.42 0.00 0.00 57.03 57.51 3kl2 h ASP 160 Cb 0.54 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.46 3kl2 h ASP 160 CO -0.08 0.26 0.14 0.15 -2.88 0.00 0.00 179.24 176.83 3kl2 h PHE 161 N 0.44 0.24 -0.28 0.28 3.57 -1.86 -0.88 116.94 118.45 3kl2 h PHE 161 Ca 0.13 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.50 3kl2 h PHE 161 Cb -0.02 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 3kl2 h PHE 161 CO -0.06 0.06 -0.45 0.82 -2.23 0.00 0.00 178.31 176.44 3kl2 h ILE 162 N 0.29 1.29 -0.12 1.41 2.04 -0.70 -0.44 117.51 121.29 3kl2 h ILE 162 Ca 0.22 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.44 3kl2 h ILE 162 Cb 0.25 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 3kl2 h ILE 162 CO -0.25 0.53 0.07 -0.07 0.00 0.00 0.00 178.15 178.43 3kl2 h LEU 163 N 0.55 0.12 -0.25 1.44 3.38 -0.55 -1.52 115.31 118.49 3kl2 h LEU 163 Ca 0.02 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3kl2 h LEU 163 Cb 1.05 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3kl2 h LEU 163 CO 0.10 0.09 -0.43 0.03 0.09 0.00 0.00 178.44 178.32 3kl2 h ARG 164 N 0.15 0.73 -0.41 1.13 2.47 -1.16 0.91 114.38 118.19 3kl2 h ARG 164 Ca 0.04 -0.45 0.06 0.00 -1.26 0.00 0.00 59.98 58.37 3kl2 h ARG 164 Cb -0.01 0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 28.30 3kl2 h ARG 164 CO -0.01 1.08 0.09 1.03 0.56 0.00 0.00 179.97 182.71 3kl2 h SER 165 N 0.46 0.02 0.62 7.04 0.87 -1.05 -2.39 113.55 119.11 3kl2 h SER 165 Ca 0.02 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3kl2 h SER 165 Cb 1.03 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 3kl2 h SER 165 CO 0.10 0.04 0.00 0.29 -0.53 0.00 0.00 176.83 176.73 3kl2 n LYS 166 N -5.09 0.16 -1.80 2.24 5.02 -0.57 -4.90 118.16 113.21 3kl2 n LYS 166 Ca 0.03 0.09 -0.01 0.00 -2.02 0.00 0.00 58.31 56.40 3kl2 n LYS 166 Cb 0.19 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 0.78 0.36 3.70 0.72 0.00 -0.49 -4.93 105.19 105.33 3kl2 n GLY 167 Ca 0.08 -0.89 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.05 5.01 -0.42 1.61 1.01 0.19 -4.59 120.40 121.17 3kl2 s VAL 168 Ca 0.00 1.46 0.05 0.00 0.00 0.00 0.00 61.98 63.49 3kl2 s VAL 168 Cb 0.00 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 3kl2 s VAL 168 CO 0.00 0.20 0.43 -0.90 0.00 0.00 0.00 175.10 174.83 3kl2 n ASP 169 N 4.16 0.83 -4.01 3.32 5.68 -0.39 -4.55 116.55 121.60 3kl2 n ASP 169 Ca -0.00 -0.92 -0.30 0.00 -0.50 0.00 0.00 54.79 53.07 3kl2 n ASP 169 Cb 0.51 0.48 -0.16 0.00 -1.14 0.00 0.00 41.12 40.80 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 -0.89 1.52 -0.11 2.12 2.01 -0.76 -0.05 115.64 119.48 3kl2 s THR 170 Ca 0.04 -0.61 -0.01 0.00 0.31 0.00 0.00 61.69 61.42 3kl2 s THR 170 Cb 0.04 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 3kl2 s THR 170 CO 0.12 0.44 -0.07 0.27 -0.69 0.00 0.00 174.62 174.70 3kl2 s ILE 171 N 1.51 3.68 -0.27 1.82 -4.36 -0.30 -1.29 121.20 121.99 3kl2 s ILE 171 Ca 0.05 -0.46 -0.04 0.00 -0.26 0.00 0.00 60.65 59.94 3kl2 s ILE 171 Cb -0.13 -2.56 0.01 0.00 1.25 0.00 0.00 42.46 41.04 3kl2 s ILE 171 CO -0.10 0.54 0.01 -0.69 0.24 0.00 0.00 174.94 174.94 3kl2 s VAL 172 N -0.15 3.46 -0.10 8.37 1.01 -0.21 -0.65 120.40 132.14 3kl2 s VAL 172 Ca 0.02 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 3kl2 s VAL 172 Cb -0.13 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3kl2 s VAL 172 CO 0.03 0.17 0.11 -0.76 0.00 0.00 0.00 175.10 174.65 3kl2 s LEU 173 N 1.43 4.21 0.09 3.92 1.43 -0.32 -0.07 118.68 129.38 3kl2 s LEU 173 Ca 0.02 0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 3kl2 s LEU 173 Cb -0.17 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.00 3kl2 s LEU 173 CO -0.01 0.39 0.24 -0.83 0.23 0.00 0.00 176.35 176.37 3kl2 s GLY 174 N -1.09 -0.00 0.00 -3.19 0.00 -0.90 -1.61 107.32 100.52 3kl2 s GLY 174 Ca 0.16 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.44 3kl2 s GLY 174 CO 0.05 -0.65 0.00 0.61 0.00 0.00 0.00 173.10 173.12 3kl2 n GLY 175 N -0.02 0.82 3.47 0.20 0.00 -0.59 -0.51 105.19 108.56 3kl2 n GLY 175 Ca -0.16 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.13 2.51 -0.02 1.61 0.08 -0.13 -2.49 117.98 117.41 3kl2 s PHE 176 Ca 0.00 -0.28 -0.01 0.00 0.12 0.00 0.00 56.93 56.76 3kl2 s PHE 176 Cb 0.00 -1.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.05 3kl2 s PHE 176 CO 0.00 0.34 0.10 -0.51 -0.10 0.00 0.00 175.22 175.05 3kl2 s LEU 177 N -1.93 3.99 0.17 -0.37 1.43 -1.26 -4.23 118.68 116.48 3kl2 s LEU 177 Ca 0.17 0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 53.19 3kl2 s LEU 177 Cb -0.10 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.85 3kl2 s LEU 177 CO 0.08 0.29 1.55 0.74 0.23 0.00 0.00 176.35 179.24 3kl2 h THR 178 N 3.27 0.01 -0.03 5.49 2.02 -1.23 -0.76 112.91 121.69 3kl2 h THR 178 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3kl2 h THR 178 Cb 1.19 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3kl2 h THR 178 CO 0.62 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 176.05 3kl2 n ASN 179 N -5.33 1.19 0.00 4.18 6.94 -1.26 -1.87 115.26 119.10 3kl2 n ASN 179 Ca 0.03 -1.43 0.00 0.00 -0.02 0.00 0.00 54.58 53.16 3kl2 n ASN 179 Cb 0.31 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 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 0.87 0.46 -0.71 0.00 2.07 -1.45 -1.96 116.25 115.52 3kl2 h VAL 182 Ca 0.18 -0.56 0.15 0.00 0.82 0.00 0.00 66.70 67.29 3kl2 h VAL 182 Cb 0.38 0.68 -0.13 0.00 -1.52 0.00 0.00 31.29 30.70 3kl2 h VAL 182 CO 0.01 0.08 -0.09 -0.33 0.02 0.00 0.00 177.57 177.26 3kl2 h GLU 183 N -0.93 0.04 -0.62 1.57 5.08 -1.37 -0.42 114.58 117.94 3kl2 h GLU 183 Ca -0.06 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3kl2 h GLU 183 Cb 0.55 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3kl2 h GLU 183 CO 0.09 0.03 0.36 0.77 -1.00 0.00 0.00 179.01 179.26 3kl2 h SER 184 N 0.04 0.76 -0.29 1.42 0.02 -1.22 -0.71 113.55 113.57 3kl2 h SER 184 Ca 0.36 -0.07 -0.12 0.00 -0.84 0.00 0.00 61.79 61.12 3kl2 h SER 184 Cb 0.60 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 3kl2 h SER 184 CO -0.69 0.61 -0.25 0.74 -1.14 0.00 0.00 176.83 176.10 3kl2 h THR 185 N 0.84 1.27 -0.56 -2.27 2.02 -0.83 -2.56 112.91 110.83 3kl2 h THR 185 Ca 0.22 -1.38 -0.07 0.00 0.77 0.00 0.00 66.41 65.95 3kl2 h THR 185 Cb -0.00 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 3kl2 h THR 185 CO -0.04 0.46 0.06 -0.03 0.37 0.00 0.00 175.52 176.34 3kl2 h MET 186 N 0.67 0.94 0.03 6.66 -1.53 -0.68 0.15 114.93 121.17 3kl2 h MET 186 Ca 0.09 -0.27 -0.00 0.00 -3.44 0.00 0.00 59.70 56.08 3kl2 h MET 186 Cb 0.77 -0.10 0.00 0.00 -0.55 0.00 0.00 31.60 31.72 3kl2 h MET 186 CO 0.06 0.92 -0.01 0.00 0.14 0.00 0.00 176.91 178.02 3kl2 h ARG 187 N 0.83 -0.03 -0.59 0.39 3.08 -1.08 -0.23 114.38 116.75 3kl2 h ARG 187 Ca 0.17 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 3kl2 h ARG 187 Cb 0.46 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3kl2 h ARG 187 CO 0.02 0.24 0.03 1.15 -1.07 0.00 0.00 179.97 180.34 3kl2 h THR 188 N -0.31 1.26 -0.92 2.04 2.02 -1.47 -2.04 112.91 113.50 3kl2 h THR 188 Ca -0.00 -1.10 0.18 0.00 0.77 0.00 0.00 66.41 66.26 3kl2 h THR 188 Cb 0.29 0.81 -0.10 0.00 -1.74 0.00 0.00 68.15 67.41 3kl2 h THR 188 CO 0.01 0.40 0.50 1.23 0.37 0.00 0.00 175.52 178.02 3kl2 h GLY 189 N 0.91 1.57 0.85 2.16 0.00 -0.49 -1.59 103.07 106.48 3kl2 h GLY 189 Ca 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 3kl2 h GLY 189 CO 0.02 -0.09 0.05 -1.82 0.00 0.00 0.00 176.54 174.70 3kl2 h TYR 190 N 0.63 0.26 0.00 5.60 3.20 -0.58 -1.21 116.97 124.88 3kl2 h TYR 190 Ca 0.53 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.34 3kl2 h TYR 190 Cb 0.83 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 3kl2 h TYR 190 CO -0.07 0.38 -0.15 0.93 -1.64 0.00 0.00 178.16 177.61 3kl2 h GLU 191 N 0.07 0.00 -0.56 1.82 4.39 -0.81 -0.51 114.58 118.99 3kl2 h GLU 191 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3kl2 h GLU 191 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3kl2 h GLU 191 CO -0.00 0.15 0.00 0.54 -1.16 0.00 0.00 179.01 178.54 3kl2 n ARG 192 N -4.29 2.55 -1.02 2.33 1.74 -0.65 -4.94 116.66 112.38 3kl2 n ARG 192 Ca -0.02 -1.92 -0.01 0.00 -0.77 0.00 0.00 57.85 55.13 3kl2 n ARG 192 Cb 0.22 -1.55 -0.00 0.00 -1.02 0.00 0.00 32.46 30.10 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 1.09 0.47 3.80 -0.13 0.00 -0.20 -5.03 105.19 105.20 3kl2 n GLY 193 Ca 0.18 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.92 2.90 -0.37 1.61 0.08 -0.47 -4.99 117.98 114.81 3kl2 s PHE 194 Ca 0.00 1.49 -0.21 0.00 0.12 0.00 0.00 56.93 58.33 3kl2 s PHE 194 Cb 0.00 -2.99 0.01 0.00 -0.57 0.00 0.00 43.02 39.47 3kl2 s PHE 194 CO 0.00 -1.37 0.68 0.50 -0.10 0.00 0.00 175.22 174.93 3kl2 s ARG 195 N -4.59 3.63 -0.22 0.44 3.52 0.93 -4.54 118.95 118.12 3kl2 s ARG 195 Ca 0.62 0.06 -0.08 0.00 -0.13 0.00 0.00 55.73 56.19 3kl2 s ARG 195 Cb -0.16 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.36 3kl2 s ARG 195 CO 0.48 -0.82 0.09 0.08 -0.81 0.00 0.00 175.30 174.32 3kl2 s VAL 196 N 2.86 4.75 -0.14 7.11 1.01 -1.26 -1.15 120.40 133.57 3kl2 s VAL 196 Ca 0.26 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.20 3kl2 s VAL 196 Cb -0.14 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 3kl2 s VAL 196 CO 0.16 0.38 -0.13 -0.63 0.00 0.00 0.00 175.10 174.89 3kl2 s ILE 197 N 1.04 3.01 -0.11 2.22 1.01 0.18 -0.44 121.20 128.11 3kl2 s ILE 197 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3kl2 s ILE 197 Cb -0.14 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 3kl2 s ILE 197 CO 0.03 0.51 -0.11 0.42 0.00 0.00 0.00 174.94 175.80 3kl2 s THR 198 N 0.54 3.26 -0.81 2.92 -4.23 -1.19 -1.17 115.64 114.96 3kl2 s THR 198 Ca -0.08 -0.61 -0.22 0.00 -1.18 0.00 0.00 61.69 59.60 3kl2 s THR 198 Cb -0.16 -2.35 0.08 0.00 1.34 0.00 0.00 72.50 71.41 3kl2 s THR 198 CO 0.04 0.54 1.12 -0.76 -0.54 0.00 0.00 174.62 175.02 3kl2 s LEU 199 N -0.04 4.38 0.59 4.79 1.43 -0.63 -0.74 118.68 128.46 3kl2 s LEU 199 Ca -0.02 -1.37 0.35 0.00 -1.03 0.00 0.00 54.13 52.07 3kl2 s LEU 199 Cb -0.14 -2.45 1.83 0.00 0.03 0.00 0.00 46.19 45.46 3kl2 s LEU 199 CO 0.04 -1.36 2.18 0.71 0.23 0.00 0.00 176.35 178.15 3kl2 h THR 200 N 6.05 0.22 -0.42 5.49 1.35 -1.05 -0.74 112.91 123.82 3kl2 h THR 200 Ca -0.07 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3kl2 h THR 200 Cb 1.04 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3kl2 h THR 200 CO 1.20 0.04 0.00 -0.90 -0.25 0.00 0.00 175.52 175.61 3kl2 n ASP 201 N -3.32 4.17 -0.39 5.36 5.75 -1.26 -4.41 116.55 122.44 3kl2 n ASP 201 Ca -0.02 -2.65 0.08 0.00 -0.01 0.00 0.00 54.79 52.19 3kl2 n ASP 201 Cb 0.18 -0.51 0.18 0.00 -1.03 0.00 0.00 41.12 39.94 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 -3.02 1.19 0.04 0.00 -7.23 -1.23 -1.53 120.40 108.62 3kl2 s VAL 203 Ca 0.35 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3kl2 s VAL 203 Cb 0.33 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 36.09 3kl2 s VAL 203 CO -0.03 -0.22 -0.04 0.00 -0.31 0.00 0.00 175.10 174.50 3kl2 s ALA 204 N -1.32 0.37 0.29 1.32 0.00 -1.04 -4.89 121.76 116.50 3kl2 s ALA 204 Ca -0.00 -0.88 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3kl2 s ALA 204 Cb -0.10 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 3kl2 s ALA 204 CO 0.03 -0.22 0.29 0.00 0.00 0.00 0.00 175.76 175.86 3kl2 s ALA 205 N -2.43 1.34 -1.56 0.00 0.00 -1.26 -0.93 121.76 116.92 3kl2 s ALA 205 Ca -0.06 -1.80 0.30 0.00 0.00 0.00 0.00 51.96 50.41 3kl2 s ALA 205 Cb -0.03 1.37 1.56 0.00 0.00 0.00 0.00 23.12 26.02 3kl2 s ALA 205 CO -0.04 -0.68 2.07 0.25 0.00 0.00 0.00 175.76 177.35 3kl2 n THR 206 N -0.51 0.00 -3.69 0.00 -2.24 -1.26 -4.53 114.28 102.06 3kl2 n THR 206 Ca 0.04 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.70 3kl2 n THR 206 Cb 0.63 -0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 68.29 3kl2 n THR 206 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3kl2 s SER 207 N -2.45 -0.21 0.36 3.42 0.15 -1.26 -4.77 113.70 108.93 3kl2 s SER 207 Ca 0.32 0.76 0.05 0.00 0.70 0.00 0.00 55.95 57.79 3kl2 s SER 207 Cb 0.21 0.80 0.67 0.00 -1.71 0.00 0.00 66.02 65.98 3kl2 s SER 207 CO 0.45 -0.21 1.92 -0.61 1.20 0.00 0.00 173.24 175.99 3kl2 h GLN 208 N 7.63 0.52 -0.21 5.44 5.75 -1.97 -1.19 115.11 131.09 3kl2 h GLN 208 Ca -0.28 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.10 3kl2 h GLN 208 Cb 1.14 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 3kl2 h GLN 208 CO 0.24 0.50 0.00 1.49 -2.65 0.00 0.00 178.83 178.41 3kl2 h GLU 209 N 0.51 0.38 -0.37 1.69 4.81 -1.99 -0.93 114.58 118.68 3kl2 h GLU 209 Ca 0.12 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3kl2 h GLU 209 Cb 0.23 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3kl2 h GLU 209 CO -0.00 0.57 0.14 0.93 -0.73 0.00 0.00 179.01 179.92 3kl2 h GLU 210 N 0.14 0.56 0.35 1.92 5.08 -1.93 -1.12 114.58 119.57 3kl2 h GLU 210 Ca 0.06 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kl2 h GLU 210 Cb 0.40 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3kl2 h GLU 210 CO 0.01 0.55 -0.40 1.25 -1.00 0.00 0.00 179.01 179.42 3kl2 h HIS 211 N 0.45 -1.10 -0.41 4.33 2.76 -1.16 -1.46 115.15 118.56 3kl2 h HIS 211 Ca 0.12 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.38 3kl2 h HIS 211 Cb 0.20 0.44 -0.07 0.00 1.55 0.00 0.00 27.41 29.53 3kl2 h HIS 211 CO 0.00 -0.54 0.00 -0.91 -1.30 0.00 0.00 177.93 175.18 3kl2 h ASN 212 N -0.78 -0.16 -0.63 3.26 4.21 -1.16 -2.37 115.58 117.94 3kl2 h ASN 212 Ca -0.02 0.09 0.05 0.00 1.21 0.00 0.00 56.30 57.63 3kl2 h ASN 212 Cb 0.72 0.17 -0.04 0.00 -1.12 0.00 0.00 38.32 38.05 3kl2 h ASN 212 CO -0.10 -0.04 0.42 0.78 -1.29 0.00 0.00 177.43 177.20 3kl2 h ASN 213 N 0.11 0.59 -0.13 5.81 2.35 -1.06 -2.01 115.58 121.24 3kl2 h ASN 213 Ca 0.20 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 3kl2 h ASN 213 Cb 0.29 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3kl2 h ASN 213 CO -0.33 0.39 -0.11 0.00 -1.65 0.00 0.00 177.43 175.73 3kl2 h ALA 214 N 1.65 0.18 -0.25 -0.83 0.00 -0.77 -0.93 119.26 118.31 3kl2 h ALA 214 Ca 0.27 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3kl2 h ALA 214 Cb 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kl2 h ALA 214 CO -0.08 0.03 -0.17 0.82 0.00 0.00 0.00 179.25 179.86 3kl2 h ILE 215 N -0.08 1.23 0.14 0.00 2.04 -1.34 0.16 117.51 119.66 3kl2 h ILE 215 Ca 0.02 -1.06 -0.36 0.00 1.00 0.00 0.00 64.86 64.47 3kl2 h ILE 215 Cb 0.63 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3kl2 h ILE 215 CO 0.03 0.34 -1.90 0.28 0.00 0.00 0.00 178.15 176.90 3kl2 h SER 216 N 0.39 0.46 0.00 1.72 0.02 -1.22 -3.38 113.55 111.56 3kl2 h SER 216 Ca 0.07 -0.90 -0.43 0.00 -0.84 0.00 0.00 61.79 59.69 3kl2 h SER 216 Cb 0.52 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.85 3kl2 h SER 216 CO 0.03 1.79 -2.33 -1.22 -1.14 0.00 0.00 176.83 173.97 3kl2 n TYR 217 N -3.50 0.18 -0.06 3.45 4.01 -0.37 -4.67 117.16 116.20 3kl2 n TYR 217 Ca -0.29 0.08 -0.21 0.00 -0.16 0.00 0.00 57.90 57.33 3kl2 n TYR 217 Cb 1.06 -1.02 -0.13 0.00 -0.31 0.00 0.00 39.34 38.94 3kl2 n TYR 217 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3kl2 h ASP 218 N -0.97 0.15 -0.98 7.72 3.32 -1.16 -3.38 116.42 121.11 3kl2 h ASP 218 Ca -0.64 -0.71 0.07 0.00 0.02 0.00 0.00 57.03 55.77 3kl2 h ASP 218 Cb 1.57 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 41.01 3kl2 h ASP 218 CO -0.38 1.50 0.63 -0.26 -1.72 0.00 0.00 179.24 179.01 3kl2 h PHE 219 N -0.70 1.16 0.00 4.55 0.05 -0.94 -1.95 116.94 119.11 3kl2 h PHE 219 Ca -0.30 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.51 3kl2 h PHE 219 Cb 1.47 -0.38 -0.00 0.00 2.00 0.00 0.00 35.95 39.04 3kl2 h PHE 219 CO 0.13 0.58 -0.05 -1.35 -0.18 0.00 0.00 178.31 177.43 3kl2 h PRO 220 N 1.12 0.00 0.00 1.51 0.11 -1.76 -1.89 132.00 131.09 3kl2 h PRO 220 Ca 0.43 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.44 3kl2 h PRO 220 Cb 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3kl2 h PRO 220 CO -0.19 0.05 -0.49 0.52 -0.21 0.00 0.00 178.00 177.68 3kl2 h MET 221 N 0.00 0.00 0.00 1.05 2.86 -1.53 -3.37 114.93 113.94 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 0.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3kl2 h MET 221 CO 0.01 0.49 0.00 1.19 1.06 0.00 0.00 176.91 179.66 3kl2 n PHE 222 N -3.70 0.00 -3.81 -0.22 3.72 -1.02 -5.10 117.46 107.32 3kl2 n PHE 222 Ca -0.01 -0.21 -0.04 0.00 -0.05 0.00 0.00 57.45 57.14 3kl2 n PHE 222 Cb 0.55 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 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 -0.42 -0.09 -0.61 4.37 1.04 -0.74 -4.56 113.70 112.68 3kl2 s SER 223 Ca 0.00 -0.58 -0.09 0.00 0.48 0.00 0.00 55.95 55.76 3kl2 s SER 223 Cb 0.00 0.53 0.16 0.00 0.10 0.00 0.00 66.02 66.81 3kl2 s SER 223 CO 0.00 -1.02 0.49 -0.69 0.98 0.00 0.00 173.24 172.99 3kl2 s VAL 224 N -2.80 4.45 0.17 5.02 1.01 0.42 -4.53 120.40 124.13 3kl2 s VAL 224 Ca 0.16 -2.31 -0.31 0.00 0.00 0.00 0.00 61.98 59.53 3kl2 s VAL 224 Cb -0.02 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 3kl2 s VAL 224 CO 0.04 -0.87 1.41 -2.84 0.00 0.00 0.00 175.10 172.84 3kl2 s PRO 225 N 0.63 4.31 0.12 2.72 0.02 -1.26 -3.15 135.00 138.39 3kl2 s PRO 225 Ca 0.12 2.16 0.02 0.00 0.02 0.00 0.00 61.00 63.33 3kl2 s PRO 225 Cb -0.20 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.08 3kl2 s PRO 225 CO -0.04 -0.41 -0.07 -1.64 -0.33 0.00 0.00 177.00 174.51 3kl2 s MET 226 N 0.52 0.92 0.49 5.54 -1.94 0.08 -4.92 119.30 120.00 3kl2 s MET 226 Ca 0.62 -1.38 -0.03 0.00 -1.71 0.00 0.00 55.69 53.19 3kl2 s MET 226 Cb -0.39 -0.32 -0.01 0.00 2.01 0.00 0.00 34.83 36.13 3kl2 s MET 226 CO 0.35 -0.01 0.76 0.95 -0.01 0.00 0.00 175.02 177.06 3kl2 s THR 227 N -3.55 4.16 0.25 2.05 -4.23 -1.26 -0.39 115.64 112.67 3kl2 s THR 227 Ca 0.14 -0.20 -0.03 0.00 -1.18 0.00 0.00 61.69 60.42 3kl2 s THR 227 Cb 0.05 -3.58 0.23 0.00 1.34 0.00 0.00 72.50 70.54 3kl2 s THR 227 CO -0.03 -0.49 1.83 0.77 -0.54 0.00 0.00 174.62 176.16 3kl2 h SER 228 N 0.21 0.80 -1.00 3.99 4.64 -1.92 -1.54 113.55 118.73 3kl2 h SER 228 Ca -0.46 0.03 0.02 0.00 -0.47 0.00 0.00 61.79 60.92 3kl2 h SER 228 Cb 1.24 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 63.15 3kl2 h SER 228 CO 0.60 0.48 0.66 0.00 -0.87 0.00 0.00 176.83 177.69 3kl2 h ALA 229 N 1.45 1.32 -0.40 5.18 0.00 -1.95 0.89 119.26 125.75 3kl2 h ALA 229 Ca 0.41 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 3kl2 h ALA 229 Cb 0.31 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kl2 h ALA 229 CO -0.22 0.61 -0.08 -0.44 0.00 0.00 0.00 179.25 179.12 3kl2 h ASP 230 N 1.31 0.76 -0.14 0.00 3.32 -1.80 -2.35 116.42 117.52 3kl2 h ASP 230 Ca 0.38 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 3kl2 h ASP 230 Cb -0.08 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 3kl2 h ASP 230 CO -0.10 0.94 -0.17 0.58 -1.72 0.00 0.00 179.24 178.77 3kl2 h VAL 231 N 0.58 1.36 -0.47 -1.35 2.07 -0.63 -2.50 116.25 115.30 3kl2 h VAL 231 Ca 0.10 -1.37 0.09 0.00 0.82 0.00 0.00 66.70 66.35 3kl2 h VAL 231 Cb 0.60 1.93 -0.08 0.00 -1.52 0.00 0.00 31.29 32.21 3kl2 h VAL 231 CO 0.04 0.40 -0.07 0.40 0.02 0.00 0.00 177.57 178.35 3kl2 h ILE 232 N -0.02 0.57 -0.38 4.57 2.04 -0.90 0.23 117.51 123.62 3kl2 h ILE 232 Ca 0.02 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 3kl2 h ILE 232 Cb 0.72 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3kl2 h ILE 232 CO 0.04 0.01 0.11 0.00 0.00 0.00 0.00 178.15 178.31 3kl2 h ALA 233 N 1.45 1.49 -0.21 1.87 0.00 -1.31 0.21 119.26 122.76 3kl2 h ALA 233 Ca 0.23 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3kl2 h ALA 233 Cb 0.35 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3kl2 h ALA 233 CO -0.45 0.38 -0.28 0.00 0.00 0.00 0.00 179.25 178.91 3kl2 h ALA 234 N 1.58 0.31 -0.78 0.00 0.00 -0.75 -3.19 119.26 116.44 3kl2 h ALA 234 Ca 0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3kl2 h ALA 234 Cb 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3kl2 h ALA 234 CO -0.01 0.31 0.40 -0.07 0.00 0.00 0.00 179.25 179.89 3kl2 h LEU 235 N 0.23 1.00 0.00 0.00 3.38 0.31 -3.40 115.31 116.82 3kl2 h LEU 235 Ca 0.02 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kl2 h LEU 235 Cb 0.85 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3kl2 h LEU 235 CO 0.06 0.83 0.00 -0.62 0.09 0.00 0.00 178.44 178.80