#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl3 s GLU 2 N 0.00 1.30 0.14 2.12 1.03 -1.26 -5.07 118.70 116.96 2kl3 s GLU 2 Ca 0.00 -1.28 -0.26 0.00 0.03 0.00 0.00 54.97 53.46 2kl3 s GLU 2 Cb 0.00 -1.72 -0.01 0.00 -0.80 0.00 0.00 34.13 31.60 2kl3 s GLU 2 CO 0.00 0.40 1.60 -1.35 -1.33 0.00 0.00 175.26 174.59 2kl3 h PRO 3 N 3.95 -0.37 -4.88 -4.83 0.11 -1.96 -3.39 132.00 120.63 2kl3 h PRO 3 Ca -0.49 0.03 -0.65 0.00 0.11 0.00 0.00 66.00 65.00 2kl3 h PRO 3 Cb 1.17 0.08 -0.36 0.00 0.11 0.00 0.00 31.00 32.01 2kl3 h PRO 3 CO 0.39 -0.25 -0.84 -0.65 -0.21 0.00 0.00 178.00 176.44 2kl3 s GLN 4 N -5.97 2.61 0.02 1.05 -0.21 -1.26 -2.28 119.66 113.61 2kl3 s GLN 4 Ca -0.15 -0.82 0.05 0.00 0.02 0.00 0.00 55.36 54.46 2kl3 s GLN 4 Cb 0.11 -2.47 -0.03 0.00 1.00 0.00 0.00 33.01 31.62 2kl3 s GLN 4 CO 0.66 -0.28 -0.13 0.45 -2.12 0.00 0.00 175.29 173.87 2kl3 s SER 5 N 1.33 4.18 0.36 5.90 0.15 -0.64 -4.91 113.70 120.07 2kl3 s SER 5 Ca 0.03 -0.28 -0.25 0.00 0.70 0.00 0.00 55.95 56.14 2kl3 s SER 5 Cb -0.14 -0.84 -0.10 0.00 -1.71 0.00 0.00 66.02 63.24 2kl3 s SER 5 CO -0.11 0.28 0.99 -1.81 1.20 0.00 0.00 173.24 173.78 2kl3 s ASP 6 N -1.36 7.10 0.38 5.45 1.01 -1.26 -0.05 116.67 127.93 2kl3 s ASP 6 Ca 0.15 1.91 0.12 0.00 0.71 0.00 0.00 52.55 55.44 2kl3 s ASP 6 Cb -0.11 -2.58 0.92 0.00 1.01 0.00 0.00 42.92 42.16 2kl3 s ASP 6 CO 0.06 -0.24 1.86 0.00 0.21 0.00 0.00 175.17 177.05 2kl3 h ALA 7 N 2.85 1.96 -0.71 5.23 0.00 -1.90 -0.29 119.26 126.41 2kl3 h ALA 7 Ca -0.47 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 2kl3 h ALA 7 Cb 1.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2kl3 h ALA 7 CO 0.64 -0.23 0.24 1.25 0.00 0.00 0.00 179.25 181.15 2kl3 h HIS 8 N 0.58 1.10 -0.14 0.00 6.17 -1.92 -0.91 115.15 120.03 2kl3 h HIS 8 Ca 0.47 -0.09 -0.22 0.00 0.71 0.00 0.00 60.37 61.23 2kl3 h HIS 8 Cb 0.90 -0.32 0.01 0.00 2.52 0.00 0.00 27.41 30.52 2kl3 h HIS 8 CO -0.00 0.86 -0.77 0.28 0.71 0.00 0.00 177.93 179.01 2kl3 h VAL 9 N 1.04 1.28 -0.28 5.26 2.07 -1.47 -2.32 116.25 121.84 2kl3 h VAL 9 Ca 0.23 -1.97 -0.01 0.00 0.82 0.00 0.00 66.70 65.77 2kl3 h VAL 9 Cb 0.26 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 2kl3 h VAL 9 CO -0.01 0.62 0.13 0.25 0.02 0.00 0.00 177.57 178.59 2kl3 h LEU 10 N 0.50 0.36 -0.95 2.57 5.85 -1.26 -0.76 115.31 121.62 2kl3 h LEU 10 Ca -0.06 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.57 2kl3 h LEU 10 Cb 1.41 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.29 2kl3 h LEU 10 CO 0.16 0.38 0.62 0.50 -0.34 0.00 0.00 178.44 179.77 2kl3 h LYS 11 N 0.32 1.20 -0.07 1.25 3.64 -1.16 0.45 116.57 122.20 2kl3 h LYS 11 Ca 0.10 -0.07 -0.23 0.00 -1.27 0.00 0.00 60.65 59.18 2kl3 h LYS 11 Cb 0.11 -0.27 0.02 0.00 -0.41 0.00 0.00 32.23 31.68 2kl3 h LYS 11 CO -0.01 0.79 -0.85 0.66 -2.27 0.00 0.00 179.45 177.78 2kl3 h SER 12 N 1.24 0.86 0.01 4.20 4.64 -1.32 0.02 113.55 123.20 2kl3 h SER 12 Ca 0.37 -0.69 -0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2kl3 h SER 12 Cb -0.06 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.77 2kl3 h SER 12 CO -0.10 1.42 -0.01 -0.09 -0.87 0.00 0.00 176.83 177.18 2kl3 h ARG 13 N 0.36 0.00 0.04 4.77 2.43 -0.90 0.32 114.38 121.40 2kl3 h ARG 13 Ca -0.09 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2kl3 h ARG 13 Cb 1.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.05 2kl3 h ARG 13 CO 0.17 0.01 -0.02 1.25 -1.51 0.00 0.00 179.97 179.87 2kl3 h LEU 14 N 0.00 -0.05 -0.02 3.80 5.85 -0.50 0.33 115.31 124.71 2kl3 h LEU 14 Ca -0.00 -0.59 -0.11 0.00 0.84 0.00 0.00 57.88 58.02 2kl3 h LEU 14 Cb 0.02 0.01 0.01 0.00 0.37 0.00 0.00 40.66 41.07 2kl3 h LEU 14 CO 0.00 0.70 -0.42 -0.33 -0.34 0.00 0.00 178.44 178.05 2kl3 h GLU 15 N -0.93 0.33 0.02 1.25 5.08 -0.90 -3.39 114.58 116.04 2kl3 h GLU 15 Ca -0.01 -0.32 -0.37 0.00 -1.00 0.00 0.00 59.36 57.66 2kl3 h GLU 15 Cb 0.64 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2kl3 h GLU 15 CO 0.01 1.00 -2.31 0.91 -1.00 0.00 0.00 179.01 177.62 2kl3 n TRP 16 N -4.35 0.29 0.00 4.33 7.02 0.10 -4.96 117.44 119.86 2kl3 n TRP 16 Ca -0.10 0.07 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 2kl3 n TRP 16 Cb 0.58 -1.04 0.00 0.00 -2.42 0.00 0.00 31.31 28.42 2kl3 n TRP 16 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2kl3 n GLY 17 N 2.02 0.88 2.95 6.99 0.00 -0.72 -4.99 105.19 112.31 2kl3 n GLY 17 Ca -0.38 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 2kl3 n GLY 17 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kl3 s GLU 18 N 0.68 0.13 -0.51 1.61 -1.05 0.11 -4.89 118.70 114.77 2kl3 s GLU 18 Ca 0.00 -0.06 -0.02 0.00 -0.15 0.00 0.00 54.97 54.74 2kl3 s GLU 18 Cb 0.00 0.05 0.30 0.00 -0.44 0.00 0.00 34.13 34.04 2kl3 s GLU 18 CO 0.00 -0.02 2.12 -0.35 0.95 0.00 0.00 175.26 177.96 2kl3 n PRO 19 N 2.73 2.29 -0.13 -4.83 -0.04 -1.26 -4.56 135.00 129.20 2kl3 n PRO 19 Ca -0.15 -2.48 0.02 0.00 -0.04 0.00 0.00 63.50 60.85 2kl3 n PRO 19 Cb 0.59 -1.99 0.07 0.00 -0.04 0.00 0.00 33.50 32.13 2kl3 n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kl3 n ALA 20 N -0.15 2.64 -2.52 0.55 0.00 -1.26 -4.86 120.51 114.91 2kl3 n ALA 20 Ca 0.47 -0.33 -0.24 0.00 0.00 0.00 0.00 53.44 53.34 2kl3 n ALA 20 Cb 0.58 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 2kl3 n ALA 20 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2kl3 s PHE 21 N -1.56 2.44 -0.12 0.00 -0.12 -1.26 -4.36 117.98 112.99 2kl3 s PHE 21 Ca 0.10 -0.29 0.03 0.00 -0.05 0.00 0.00 56.93 56.72 2kl3 s PHE 21 Cb 0.07 -1.10 0.00 0.00 -0.63 0.00 0.00 43.02 41.36 2kl3 s PHE 21 CO 0.05 0.64 -0.21 0.99 -0.05 0.00 0.00 175.22 176.63 2kl3 s THR 22 N -2.25 2.22 -0.20 -4.49 2.01 -0.16 -4.98 115.64 107.79 2kl3 s THR 22 Ca 0.28 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 61.20 2kl3 s THR 22 Cb -0.06 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2kl3 s THR 22 CO 0.16 0.55 0.32 -0.63 -0.69 0.00 0.00 174.62 174.32 2kl3 s ILE 23 N 0.56 5.27 -0.16 1.82 1.09 -1.26 -0.02 121.20 128.50 2kl3 s ILE 23 Ca -0.13 0.55 -0.03 0.00 -1.10 0.00 0.00 60.65 59.95 2kl3 s ILE 23 Cb -0.17 -3.65 -0.02 0.00 -1.06 0.00 0.00 42.46 37.56 2kl3 s ILE 23 CO 0.04 0.32 -0.07 -0.76 -0.10 0.00 0.00 174.94 174.37 2kl3 s LEU 24 N 0.98 3.00 -0.57 2.97 1.43 0.31 -0.56 118.68 126.24 2kl3 s LEU 24 Ca 0.16 -0.25 -0.22 0.00 -1.03 0.00 0.00 54.13 52.78 2kl3 s LEU 24 Cb -0.14 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.42 2kl3 s LEU 24 CO 0.06 0.12 0.87 -0.62 0.23 0.00 0.00 176.35 177.01 2kl3 s ASP 25 N 0.61 6.27 0.00 2.29 2.15 -0.94 -1.97 116.67 125.08 2kl3 s ASP 25 Ca -0.04 -0.68 0.20 0.00 0.43 0.00 0.00 52.55 52.46 2kl3 s ASP 25 Cb -0.15 -2.39 0.55 0.00 -0.30 0.00 0.00 42.92 40.63 2kl3 s ASP 25 CO 0.03 -1.20 1.46 1.33 -0.17 0.00 0.00 175.17 176.62 2kl3 n VAL 26 N 5.97 0.78 0.00 1.11 0.24 -0.98 -3.28 118.33 122.18 2kl3 n VAL 26 Ca -0.02 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 2kl3 n VAL 26 Cb 0.46 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 2kl3 n VAL 26 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2kl3 n ARG 27 N 1.33 0.00 -3.63 7.34 1.74 -1.26 -2.19 116.66 119.98 2kl3 n ARG 27 Ca 0.21 0.42 -0.03 0.00 -0.77 0.00 0.00 57.85 57.68 2kl3 n ARG 27 Cb 0.53 -1.25 -0.02 0.00 -1.02 0.00 0.00 32.46 30.70 2kl3 n ARG 27 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2kl3 s ASP 28 N -2.23 -0.05 0.36 0.55 2.15 -1.26 -4.39 116.67 111.80 2kl3 s ASP 28 Ca 0.00 0.01 0.06 0.00 0.43 0.00 0.00 52.55 53.05 2kl3 s ASP 28 Cb 0.00 0.05 0.75 0.00 -0.30 0.00 0.00 42.92 43.42 2kl3 s ASP 28 CO 0.00 -0.07 1.93 -0.09 -0.17 0.00 0.00 175.17 176.77 2kl3 h ARG 29 N 2.01 0.73 -0.04 4.34 9.65 -1.94 0.52 114.38 129.66 2kl3 h ARG 29 Ca -0.04 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 2kl3 h ARG 29 Cb 1.14 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.56 2kl3 h ARG 29 CO 0.20 0.48 -0.02 0.66 2.80 0.00 0.00 179.97 184.10 2kl3 h SER 30 N 0.75 0.08 0.26 -3.80 4.64 -2.00 -2.64 113.55 110.84 2kl3 h SER 30 Ca 0.35 -0.40 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 2kl3 h SER 30 Cb 0.37 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2kl3 h SER 30 CO -0.13 0.47 -0.10 0.74 -0.87 0.00 0.00 176.83 176.94 2kl3 h THR 31 N -0.31 0.63 -0.44 2.95 2.02 -1.74 0.09 112.91 116.12 2kl3 h THR 31 Ca 0.01 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 2kl3 h THR 31 Cb 0.44 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2kl3 h THR 31 CO 0.01 0.10 0.21 0.22 0.37 0.00 0.00 175.52 176.42 2kl3 h TYR 32 N 0.00 0.63 -0.70 3.16 3.20 0.22 -0.37 116.97 123.11 2kl3 h TYR 32 Ca -0.00 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 2kl3 h TYR 32 Cb 0.26 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 2kl3 h TYR 32 CO 0.00 0.51 0.27 -0.91 -1.64 0.00 0.00 178.16 176.40 2kl3 h ASN 33 N 0.57 0.97 -0.45 -2.11 2.35 -0.87 -3.07 115.58 112.97 2kl3 h ASN 33 Ca 0.15 -0.18 0.08 0.00 -0.55 0.00 0.00 56.30 55.81 2kl3 h ASN 33 Cb 0.12 -0.25 -0.07 0.00 0.05 0.00 0.00 38.32 38.16 2kl3 h ASN 33 CO -0.02 0.88 -0.00 -0.78 -1.65 0.00 0.00 177.43 175.86 2kl3 h ASP 34 N 1.00 -0.19 -0.07 5.81 1.82 -0.61 0.25 116.42 124.42 2kl3 h ASP 34 Ca 0.23 0.11 0.28 0.00 -0.39 0.00 0.00 57.03 57.26 2kl3 h ASP 34 Cb 0.22 0.19 -0.25 0.00 0.68 0.00 0.00 39.33 40.17 2kl3 h ASP 34 CO -0.02 -0.06 0.44 -0.83 -1.61 0.00 0.00 179.24 177.16 2kl3 s GLY 35 N -3.04 0.14 0.11 -0.78 0.00 -0.19 -0.64 107.32 102.92 2kl3 s GLY 35 Ca -0.13 3.46 0.08 0.00 0.00 0.00 0.00 44.72 48.13 2kl3 s GLY 35 CO 0.72 3.65 -0.20 -2.38 0.00 0.00 0.00 173.10 174.89 2kl3 s HIS 36 N 2.45 1.75 0.43 1.90 -3.43 0.10 -4.69 115.29 113.81 2kl3 s HIS 36 Ca -0.04 -0.43 -0.25 0.00 -0.80 0.00 0.00 55.06 53.54 2kl3 s HIS 36 Cb -0.04 -0.95 -0.09 0.00 -1.43 0.00 0.00 32.58 30.06 2kl3 s HIS 36 CO -0.12 0.21 1.29 -0.89 -2.00 0.00 0.00 174.74 173.23 2kl3 n ILE 37 N 1.00 2.62 -1.58 -5.38 5.41 -1.26 -0.05 119.36 120.11 2kl3 n ILE 37 Ca -0.19 -0.50 -0.41 0.00 1.00 0.00 0.00 62.75 62.65 2kl3 n ILE 37 Cb 0.54 -1.60 -0.03 0.00 -0.71 0.00 0.00 39.64 37.83 2kl3 n ILE 37 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 2kl3 n MET 38 N -0.01 1.64 -0.34 0.38 0.00 -0.55 -0.74 117.12 117.50 2kl3 n MET 38 Ca 0.06 0.35 0.00 0.00 -0.00 0.00 0.00 57.70 58.12 2kl3 n MET 38 Cb 0.40 -3.27 0.00 0.00 0.00 0.00 0.00 33.22 30.35 2kl3 n MET 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2kl3 n GLY 39 N 5.88 0.82 3.72 -5.12 0.00 -1.26 -4.99 105.19 104.25 2kl3 n GLY 39 Ca 0.33 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 46.00 2kl3 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 s ALA 40 N -2.00 1.24 0.00 4.61 0.00 0.08 -4.82 121.76 120.88 2kl3 s ALA 40 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.38 2kl3 s ALA 40 Cb 0.00 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 2kl3 s ALA 40 CO 0.00 -2.77 0.01 -1.64 0.00 0.00 0.00 175.76 171.36 2kl3 s MET 41 N -5.22 2.81 -1.16 0.00 -1.94 0.27 -5.01 119.30 109.06 2kl3 s MET 41 Ca 0.66 -0.61 -0.17 0.00 -1.71 0.00 0.00 55.69 53.87 2kl3 s MET 41 Cb -0.15 -2.69 0.12 0.00 2.01 0.00 0.00 34.83 34.13 2kl3 s MET 41 CO 0.55 0.62 1.47 0.00 -0.01 0.00 0.00 175.02 177.66 2kl3 s ALA 42 N -1.11 3.53 -0.46 3.03 0.00 -1.26 -2.21 121.76 123.28 2kl3 s ALA 42 Ca 0.20 -2.99 0.02 0.00 0.00 0.00 0.00 51.96 49.20 2kl3 s ALA 42 Cb -0.12 -4.31 0.14 0.00 0.00 0.00 0.00 23.12 18.83 2kl3 s ALA 42 CO 0.11 -3.07 0.28 -1.64 0.00 0.00 0.00 175.76 171.44 2kl3 s MET 43 N 2.97 1.29 0.29 0.00 -1.94 -1.24 -5.00 119.30 115.66 2kl3 s MET 43 Ca 0.45 -2.10 -0.29 0.00 -1.71 0.00 0.00 55.69 52.03 2kl3 s MET 43 Cb -0.01 -2.22 -0.10 0.00 2.01 0.00 0.00 34.83 34.51 2kl3 s MET 43 CO -0.01 -1.21 1.11 -1.25 -0.01 0.00 0.00 175.02 173.65 2kl3 s PRO 44 N 0.18 4.60 0.58 2.03 0.04 -1.20 -3.71 135.00 137.52 2kl3 s PRO 44 Ca 0.21 1.82 0.30 0.00 0.04 0.00 0.00 61.00 63.37 2kl3 s PRO 44 Cb -0.18 -3.16 1.38 0.00 0.04 0.00 0.00 34.50 32.58 2kl3 s PRO 44 CO -0.04 0.17 1.74 0.97 0.04 0.00 0.00 177.00 179.88 2kl3 h ILE 45 N 3.06 0.28 -0.09 0.56 2.10 -1.64 1.16 117.51 122.94 2kl3 h ILE 45 Ca -0.47 0.00 -0.19 0.00 1.08 0.00 0.00 64.86 65.28 2kl3 h ILE 45 Cb 1.21 0.43 0.01 0.00 -1.09 0.00 0.00 36.82 37.39 2kl3 h ILE 45 CO 0.67 0.00 -0.68 -0.08 -1.08 0.00 0.00 178.15 176.98 2kl3 h GLU 46 N 0.00 0.61 -0.01 2.19 4.81 -1.88 -3.29 114.58 117.01 2kl3 h GLU 46 Ca 0.35 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2kl3 h GLU 46 Cb 1.80 0.13 0.00 0.00 0.63 0.00 0.00 28.75 31.31 2kl3 h GLU 46 CO -0.00 1.16 -0.41 -0.25 -0.73 0.00 0.00 179.01 178.78 2kl3 n ASP 47 N -4.09 1.80 -0.26 1.04 8.00 0.15 -4.75 116.55 118.43 2kl3 n ASP 47 Ca -0.09 -1.38 -0.09 0.00 0.71 0.00 0.00 54.79 53.95 2kl3 n ASP 47 Cb 0.70 0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 42.13 2kl3 n ASP 47 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2kl3 h LEU 48 N 2.19 -1.67 -0.02 0.64 5.85 0.10 -1.39 115.31 121.00 2kl3 h LEU 48 Ca 0.00 0.27 0.03 0.00 0.84 0.00 0.00 57.88 59.02 2kl3 h LEU 48 Cb 0.70 0.76 -0.04 0.00 0.37 0.00 0.00 40.66 42.44 2kl3 h LEU 48 CO 0.00 -0.32 -0.23 0.58 -0.34 0.00 0.00 178.44 178.13 2kl3 h VAL 49 N -0.18 0.47 0.03 1.05 2.07 -1.85 0.09 116.25 117.93 2kl3 h VAL 49 Ca 0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 2kl3 h VAL 49 Cb 0.54 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2kl3 h VAL 49 CO -0.77 0.00 -0.02 -0.78 0.02 0.00 0.00 177.57 176.03 2kl3 h ASP 50 N -0.35 -0.04 -0.11 0.57 3.58 -1.85 -1.44 116.42 116.79 2kl3 h ASP 50 Ca 0.07 -0.12 0.04 0.00 0.42 0.00 0.00 57.03 57.44 2kl3 h ASP 50 Cb 0.44 0.01 -0.06 0.00 1.72 0.00 0.00 39.33 41.44 2kl3 h ASP 50 CO -0.22 0.10 -0.33 0.03 -2.88 0.00 0.00 179.24 175.94 2kl3 h ARG 51 N -0.17 -0.40 -0.05 0.28 2.47 -0.97 -1.60 114.38 113.94 2kl3 h ARG 51 Ca -0.00 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 2kl3 h ARG 51 Cb 0.16 0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.56 2kl3 h ARG 51 CO 0.01 -0.27 0.01 0.00 0.56 0.00 0.00 179.97 180.28 2kl3 h ALA 52 N 0.37 0.07 -0.35 0.04 0.00 -1.00 -2.27 119.26 116.11 2kl3 h ALA 52 Ca 0.09 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2kl3 h ALA 52 Cb 0.56 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2kl3 h ALA 52 CO -0.34 -0.31 0.30 1.03 0.00 0.00 0.00 179.25 179.93 2kl3 h SER 53 N -0.15 0.00 0.05 0.00 0.87 -1.12 0.28 113.55 113.49 2kl3 h SER 53 Ca 0.02 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2kl3 h SER 53 Cb 0.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2kl3 h SER 53 CO 0.00 0.00 -0.03 -1.28 -0.53 0.00 0.00 176.83 174.99 2kl3 h SER 54 N 0.00 -0.06 -0.01 6.23 0.87 -0.93 -3.41 113.55 116.24 2kl3 h SER 54 Ca 0.17 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2kl3 h SER 54 Cb 0.76 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 2kl3 h SER 54 CO -0.00 0.62 -0.16 -1.20 -0.53 0.00 0.00 176.83 175.56 2kl3 n SER 55 N -4.77 1.82 -4.50 6.23 7.64 -0.89 -5.00 113.62 114.14 2kl3 n SER 55 Ca -0.06 -1.41 -0.26 0.00 1.01 0.00 0.00 58.87 58.16 2kl3 n SER 55 Cb 0.24 0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.60 2kl3 n SER 55 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kl3 s LEU 56 N -1.59 2.72 -0.08 -3.43 1.43 0.97 -5.06 118.68 113.64 2kl3 s LEU 56 Ca 0.14 -0.78 -0.10 0.00 -1.03 0.00 0.00 54.13 52.36 2kl3 s LEU 56 Cb 0.12 -1.38 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 2kl3 s LEU 56 CO 0.28 0.09 0.25 -0.70 0.23 0.00 0.00 176.35 176.49 2kl3 s GLU 57 N -2.98 3.70 0.55 1.70 2.12 -1.26 -4.67 118.70 117.86 2kl3 s GLU 57 Ca 0.25 0.08 0.33 0.00 0.36 0.00 0.00 54.97 55.99 2kl3 s GLU 57 Cb -0.08 -3.23 1.52 0.00 0.26 0.00 0.00 34.13 32.61 2kl3 s GLU 57 CO 0.14 0.69 2.05 0.87 -0.54 0.00 0.00 175.26 178.47 2kl3 h LYS 58 N 5.07 0.00 0.00 4.30 1.57 -1.94 -1.92 116.57 123.65 2kl3 h LYS 58 Ca -0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2kl3 h LYS 58 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2kl3 h LYS 58 CO 0.61 0.06 -0.62 -1.13 -0.57 0.00 0.00 179.45 177.80 2kl3 n SER 59 N -3.24 0.58 -4.74 0.86 3.41 -1.26 0.53 113.62 109.76 2kl3 n SER 59 Ca -0.01 -0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 58.04 2kl3 n SER 59 Cb 0.27 0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 2kl3 n SER 59 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2kl3 s ARG 60 N -3.08 4.14 -0.69 4.33 6.06 -0.72 -4.51 118.95 124.48 2kl3 s ARG 60 Ca 0.08 2.54 -0.26 0.00 -2.50 0.00 0.00 55.73 55.60 2kl3 s ARG 60 Cb 0.16 -3.06 -0.05 0.00 0.06 0.00 0.00 34.95 32.06 2kl3 s ARG 60 CO 0.72 -0.65 2.04 -0.51 -2.50 0.00 0.00 175.30 174.41 2kl3 s ASP 61 N 0.74 4.93 -0.25 -2.12 1.01 -1.26 -4.29 116.67 115.44 2kl3 s ASP 61 Ca 0.67 0.15 -0.10 0.00 0.71 0.00 0.00 52.55 53.97 2kl3 s ASP 61 Cb -0.47 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 40.87 2kl3 s ASP 61 CO 0.41 -2.74 0.16 -0.63 0.21 0.00 0.00 175.17 172.58 2kl3 s ILE 62 N 10.55 5.18 -0.29 0.77 1.01 -0.22 -0.98 121.20 137.22 2kl3 s ILE 62 Ca 0.76 0.12 -0.14 0.00 0.00 0.00 0.00 60.65 61.40 2kl3 s ILE 62 Cb -0.12 -3.44 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2kl3 s ILE 62 CO 0.14 0.31 0.31 -0.31 0.00 0.00 0.00 174.94 175.39 2kl3 s TYR 63 N 1.36 3.23 -0.21 3.97 1.51 0.98 -0.73 117.35 127.46 2kl3 s TYR 63 Ca 0.07 0.20 -0.07 0.00 -1.01 0.00 0.00 57.07 56.26 2kl3 s TYR 63 Cb -0.15 -2.53 -0.04 0.00 -0.11 0.00 0.00 41.96 39.14 2kl3 s TYR 63 CO 0.07 -0.26 0.06 0.08 -1.11 0.00 0.00 175.55 174.40 2kl3 s VAL 64 N 1.95 4.56 -0.06 0.71 1.01 0.76 -0.53 120.40 128.79 2kl3 s VAL 64 Ca 0.11 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.02 2kl3 s VAL 64 Cb -0.16 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.14 2kl3 s VAL 64 CO 0.11 0.40 -0.13 -0.72 0.00 0.00 0.00 175.10 174.75 2kl3 s TYR 65 N 0.94 1.53 0.00 5.22 1.13 -0.83 -0.66 117.35 124.68 2kl3 s TYR 65 Ca 0.04 -0.55 0.00 0.00 -1.41 0.00 0.00 57.07 55.15 2kl3 s TYR 65 Cb -0.14 -1.10 0.00 0.00 -1.10 0.00 0.00 41.96 39.62 2kl3 s TYR 65 CO 0.03 -0.26 0.00 0.41 -2.51 0.00 0.00 175.55 173.21 2kl3 n GLY 66 N 3.69 6.45 0.08 5.49 0.00 -1.26 -2.32 105.19 117.31 2kl3 n GLY 66 Ca -0.22 -2.04 -0.07 0.00 0.00 0.00 0.00 46.02 43.69 2kl3 n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 h ALA 67 N 0.61 0.64 -2.64 4.61 0.00 -1.95 -3.34 119.26 117.20 2kl3 h ALA 67 Ca 0.00 -1.19 -0.26 0.00 0.00 0.00 0.00 54.91 53.46 2kl3 h ALA 67 Cb 0.00 0.26 -0.15 0.00 0.00 0.00 0.00 17.79 17.90 2kl3 h ALA 67 CO 0.00 1.37 -0.58 0.20 0.00 0.00 0.00 179.25 180.24 2kl3 s GLY 68 N -4.93 1.50 0.43 0.00 0.00 -1.26 -4.88 107.32 98.19 2kl3 s GLY 68 Ca -0.02 -1.71 0.20 0.00 0.00 0.00 0.00 44.72 43.19 2kl3 s GLY 68 CO 0.82 -1.38 1.90 -0.55 0.00 0.00 0.00 173.10 173.89 2kl3 h ASP 69 N 2.55 0.00 0.21 1.64 3.32 -1.96 -2.55 116.42 119.64 2kl3 h ASP 69 Ca -0.34 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.50 2kl3 h ASP 69 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2kl3 h ASP 69 CO 0.50 0.27 -0.81 1.05 -1.72 0.00 0.00 179.24 178.53 2kl3 h GLU 70 N 0.00 0.48 -0.46 3.56 9.09 -2.00 -2.72 114.58 122.53 2kl3 h GLU 70 Ca -0.00 -0.43 -0.12 0.00 0.05 0.00 0.00 59.36 58.86 2kl3 h GLU 70 Cb 0.59 0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 27.78 2kl3 h GLU 70 CO 0.03 1.07 -0.20 0.37 0.05 0.00 0.00 179.01 180.33 2kl3 h GLN 71 N 0.31 0.92 0.49 1.06 4.15 -1.90 -2.22 115.11 117.91 2kl3 h GLN 71 Ca -0.05 -0.38 -0.02 0.00 0.77 0.00 0.00 58.65 58.96 2kl3 h GLN 71 Cb 1.42 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.07 2kl3 h GLN 71 CO 0.14 1.04 -0.23 1.79 -1.93 0.00 0.00 178.83 179.64 2kl3 h THR 72 N 0.80 0.47 -0.94 2.39 1.35 -1.49 -1.55 112.91 113.94 2kl3 h THR 72 Ca 0.11 -0.31 0.05 0.00 -0.55 0.00 0.00 66.41 65.71 2kl3 h THR 72 Cb 0.76 0.60 -0.06 0.00 -1.73 0.00 0.00 68.15 67.72 2kl3 h THR 72 CO 0.06 0.05 0.61 0.28 -0.25 0.00 0.00 175.52 176.28 2kl3 h SER 73 N -0.85 0.98 -0.09 5.36 0.02 -1.52 0.99 113.55 118.44 2kl3 h SER 73 Ca -0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 2kl3 h SER 73 Cb 0.58 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 2kl3 h SER 73 CO 0.11 0.65 -0.01 -0.61 -1.14 0.00 0.00 176.83 175.83 2kl3 h GLN 74 N 1.13 0.16 -0.22 3.45 4.15 -1.42 -0.27 115.11 122.09 2kl3 h GLN 74 Ca 0.39 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.76 2kl3 h GLN 74 Cb 0.12 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2kl3 h GLN 74 CO -0.14 0.45 0.14 0.00 -1.93 0.00 0.00 178.83 177.35 2kl3 h ALA 75 N 0.71 0.28 -0.79 3.38 0.00 -0.83 -0.31 119.26 121.71 2kl3 h ALA 75 Ca 0.02 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2kl3 h ALA 75 Cb 0.38 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 2kl3 h ALA 75 CO 0.01 -0.21 0.39 0.28 0.00 0.00 0.00 179.25 179.71 2kl3 h VAL 76 N 0.28 0.76 -0.16 0.00 2.07 -0.83 -1.03 116.25 117.34 2kl3 h VAL 76 Ca 0.08 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.42 2kl3 h VAL 76 Cb 0.02 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 2kl3 h VAL 76 CO -0.02 0.11 0.02 -1.13 0.02 0.00 0.00 177.57 176.57 2kl3 h ASN 77 N 0.59 -0.02 -0.70 0.57 -1.24 -0.29 -1.13 115.58 113.36 2kl3 h ASN 77 Ca 0.42 0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.47 2kl3 h ASN 77 Cb 0.55 0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.61 2kl3 h ASN 77 CO -0.34 0.01 0.45 -0.07 -1.29 0.00 0.00 177.43 176.20 2kl3 h LEU 78 N 0.08 0.77 0.22 0.34 3.38 -0.34 0.33 115.31 120.09 2kl3 h LEU 78 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2kl3 h LEU 78 Cb 0.08 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2kl3 h LEU 78 CO -0.11 0.55 -0.11 -0.07 0.09 0.00 0.00 178.44 178.79 2kl3 h LEU 79 N 0.91 -0.25 -1.79 1.67 3.38 -1.06 -0.33 115.31 117.85 2kl3 h LEU 79 Ca 0.27 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2kl3 h LEU 79 Cb -0.06 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kl3 h LEU 79 CO -0.08 0.06 -0.16 0.08 0.09 0.00 0.00 178.44 178.44 2kl3 h ARG 80 N -0.58 0.00 -0.41 1.13 0.11 -1.07 0.15 114.38 113.71 2kl3 h ARG 80 Ca -0.03 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.96 2kl3 h ARG 80 Cb 0.42 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.49 2kl3 h ARG 80 CO 0.05 0.16 -0.12 1.03 0.10 0.00 0.00 179.97 181.19 2kl3 h SER 81 N 0.00 0.73 0.00 0.08 0.87 -0.22 -2.47 113.55 112.55 2kl3 h SER 81 Ca -0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2kl3 h SER 81 Cb 0.33 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2kl3 h SER 81 CO 0.02 0.87 0.00 0.00 -0.53 0.00 0.00 176.83 177.19 2kl3 n ALA 82 N -2.49 2.29 -0.06 6.23 0.00 0.43 -4.83 120.51 122.08 2kl3 n ALA 82 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kl3 n ALA 82 Cb 0.36 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2kl3 n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl3 n GLY 83 N 0.34 0.60 3.70 0.00 0.00 -0.93 -5.05 105.19 103.85 2kl3 n GLY 83 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2kl3 n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kl3 s PHE 84 N -2.10 2.77 -0.07 1.61 0.40 -0.61 -4.88 117.98 115.10 2kl3 s PHE 84 Ca 0.00 0.61 -0.01 0.00 -0.60 0.00 0.00 56.93 56.92 2kl3 s PHE 84 Cb 0.00 -3.83 -0.01 0.00 0.51 0.00 0.00 43.02 39.70 2kl3 s PHE 84 CO 0.00 -3.16 0.07 0.93 0.70 0.00 0.00 175.22 173.77 2kl3 h GLU 85 N 7.73 -0.05 -4.53 0.44 5.08 -0.25 -3.36 114.58 119.64 2kl3 h GLU 85 Ca -0.41 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.21 2kl3 h GLU 85 Cb 1.20 0.01 -0.20 0.00 0.50 0.00 0.00 28.75 30.25 2kl3 h GLU 85 CO 0.91 -0.03 0.85 -1.01 -1.00 0.00 0.00 179.01 178.73 2kl3 s HIS 86 N -1.59 3.53 -0.15 4.33 3.76 -1.05 -4.98 115.29 119.13 2kl3 s HIS 86 Ca -0.01 -1.95 0.01 0.00 -0.15 0.00 0.00 55.06 52.97 2kl3 s HIS 86 Cb 0.00 -4.16 0.02 0.00 1.11 0.00 0.00 32.58 29.55 2kl3 s HIS 86 CO 0.02 -1.30 -0.17 0.08 -0.85 0.00 0.00 174.74 172.53 2kl3 s VAL 87 N 1.31 1.75 0.24 -0.90 1.01 -1.26 -1.05 120.40 121.50 2kl3 s VAL 87 Ca 0.34 -0.76 0.11 0.00 0.00 0.00 0.00 61.98 61.67 2kl3 s VAL 87 Cb -0.06 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 2kl3 s VAL 87 CO -0.06 0.49 -0.19 -0.55 0.00 0.00 0.00 175.10 174.79 2kl3 s SER 88 N 1.32 3.25 -0.06 3.32 0.15 0.09 -4.87 113.70 116.91 2kl3 s SER 88 Ca 0.03 -1.00 0.05 0.00 0.70 0.00 0.00 55.95 55.72 2kl3 s SER 88 Cb -0.13 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.92 2kl3 s SER 88 CO -0.10 -0.01 -0.20 -1.83 1.20 0.00 0.00 173.24 172.30 2kl3 s GLU 89 N -3.42 2.55 -0.65 5.44 -1.05 -0.96 -0.17 118.70 120.42 2kl3 s GLU 89 Ca 0.26 -0.81 -0.25 0.00 -0.15 0.00 0.00 54.97 54.02 2kl3 s GLU 89 Cb -0.04 -2.27 0.05 0.00 -0.44 0.00 0.00 34.13 31.42 2kl3 s GLU 89 CO 0.12 0.48 1.09 -1.17 0.95 0.00 0.00 175.26 176.73 2kl3 s LEU 90 N -0.39 3.81 -0.21 1.83 2.96 0.17 -1.62 118.68 125.23 2kl3 s LEU 90 Ca 0.04 -0.55 -0.28 0.00 -0.22 0.00 0.00 54.13 53.11 2kl3 s LEU 90 Cb -0.12 -2.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.89 2kl3 s LEU 90 CO 0.02 -1.53 2.04 -0.54 -1.32 0.00 0.00 176.35 175.01 2kl3 s LYS 91 N 4.70 3.37 0.00 1.98 1.02 0.93 -1.50 119.74 130.23 2kl3 s LYS 91 Ca 0.30 1.94 0.00 0.00 0.02 0.00 0.00 55.97 58.24 2kl3 s LYS 91 Cb -0.12 -4.28 0.00 0.00 -0.52 0.00 0.00 37.83 32.91 2kl3 s LYS 91 CO 0.15 -1.82 0.00 0.41 -0.92 0.00 0.00 175.35 173.17 2kl3 n GLY 92 N 5.42 1.57 7.00 -3.33 0.00 -1.26 -3.70 105.19 110.89 2kl3 n GLY 92 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2kl3 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kl3 n GLY 93 N -0.80 0.95 0.24 -0.02 0.00 -0.56 -2.31 105.19 102.68 2kl3 n GLY 93 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 2kl3 n GLY 93 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kl3 h LEU 94 N 0.00 0.78 -0.63 0.99 5.85 -1.91 -2.76 115.31 117.62 2kl3 h LEU 94 Ca 0.00 -0.31 0.11 0.00 0.84 0.00 0.00 57.88 58.52 2kl3 h LEU 94 Cb 0.00 -0.21 -0.08 0.00 0.37 0.00 0.00 40.66 40.74 2kl3 h LEU 94 CO 0.00 0.90 0.19 0.00 -0.34 0.00 0.00 178.44 179.18 2kl3 h ALA 95 N 0.91 0.80 -0.31 1.25 0.00 -1.92 0.15 119.26 120.14 2kl3 h ALA 95 Ca 0.13 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2kl3 h ALA 95 Cb 0.50 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2kl3 h ALA 95 CO 0.02 -0.26 0.12 0.00 0.00 0.00 0.00 179.25 179.13 2kl3 h ALA 96 N 1.48 0.41 -0.95 0.00 0.00 -1.38 0.32 119.26 119.14 2kl3 h ALA 96 Ca 0.33 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.23 2kl3 h ALA 96 Cb 0.48 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 2kl3 h ALA 96 CO -0.38 0.02 0.60 2.35 0.00 0.00 0.00 179.25 181.84 2kl3 h TRP 97 N 0.35 1.01 0.04 0.00 2.91 -1.04 -1.70 115.95 117.53 2kl3 h TRP 97 Ca 0.10 0.03 -0.23 0.00 1.13 0.00 0.00 58.89 59.92 2kl3 h TRP 97 Cb 0.20 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 28.53 2kl3 h TRP 97 CO -0.00 0.40 -1.01 0.87 -1.03 0.00 0.00 178.44 177.67 2kl3 h LYS 98 N 0.88 0.24 -0.68 2.65 1.57 -0.36 0.32 116.57 121.19 2kl3 h LYS 98 Ca 0.47 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2kl3 h LYS 98 Cb 0.54 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 2kl3 h LYS 98 CO -0.23 1.07 0.37 0.00 -0.57 0.00 0.00 179.45 180.09 2kl3 h ALA 99 N 0.81 1.38 -0.13 3.86 0.00 0.54 -0.82 119.26 124.90 2kl3 h ALA 99 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kl3 h ALA 99 Cb 1.68 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2kl3 h ALA 99 CO 0.16 0.51 0.00 0.44 0.00 0.00 0.00 179.25 180.36 2kl3 n ILE 100 N -4.37 0.18 -2.80 0.00 -5.35 -0.93 -4.90 119.36 101.19 2kl3 n ILE 100 Ca 0.07 -0.21 -0.11 0.00 -0.27 0.00 0.00 62.75 62.23 2kl3 n ILE 100 Cb 0.09 0.08 0.03 0.00 -1.74 0.00 0.00 39.64 38.10 2kl3 n ILE 100 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kl3 n GLY 101 N 0.86 0.17 3.78 3.28 0.00 -0.31 -5.02 105.19 107.95 2kl3 n GLY 101 Ca 0.10 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2kl3 n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kl3 s GLY 102 N -2.99 2.66 -0.07 -0.02 0.00 0.11 -4.98 107.32 102.03 2kl3 s GLY 102 Ca 0.20 0.76 -0.29 0.00 0.00 0.00 0.00 44.72 45.39 2kl3 s GLY 102 CO 0.25 1.16 1.81 -4.14 0.00 0.00 0.00 173.10 172.18 2kl3 s PRO 103 N -2.92 3.98 0.28 2.90 0.02 -1.26 -4.70 135.00 133.30 2kl3 s PRO 103 Ca 0.65 2.21 0.07 0.00 0.02 0.00 0.00 61.00 63.94 2kl3 s PRO 103 Cb -0.23 -4.09 -0.06 0.00 0.02 0.00 0.00 34.50 30.14 2kl3 s PRO 103 CO 0.27 -1.11 -0.05 0.95 -0.33 0.00 0.00 177.00 176.73 2kl3 s THR 104 N 4.87 1.64 0.25 0.99 -4.23 -1.26 -1.48 115.64 116.41 2kl3 s THR 104 Ca 0.81 -2.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.21 2kl3 s THR 104 Cb -0.35 -2.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.97 2kl3 s THR 104 CO 0.34 -0.28 0.12 -1.61 -0.54 0.00 0.00 174.62 172.65 2kl3 s GLU 105 N -3.73 1.39 0.00 3.99 2.02 0.93 -4.64 118.70 118.66 2kl3 s GLU 105 Ca 0.30 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.53 2kl3 s GLU 105 Cb 0.04 -0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.21 2kl3 s GLU 105 CO 0.12 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.45 2kl3 n GLY 106 N -0.43 4.09 0.15 -1.39 0.00 -1.26 0.02 105.19 106.36 2kl3 n GLY 106 Ca 0.01 -1.56 -0.14 0.00 0.00 0.00 0.00 46.02 44.33 2kl3 n GLY 106 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kl3 h ILE 107 N 1.75 0.85 -0.04 -0.61 2.04 -0.52 -1.86 117.51 119.12 2kl3 h ILE 107 Ca 0.00 -0.31 -0.19 0.00 1.00 0.00 0.00 64.86 65.36 2kl3 h ILE 107 Cb 0.00 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2kl3 h ILE 107 CO 0.00 0.07 -0.78 0.40 0.00 0.00 0.00 178.15 177.84 2kl3 h ILE 108 N -0.43 1.42 -0.12 -0.67 5.03 -1.03 -2.93 117.51 118.79 2kl3 h ILE 108 Ca -0.03 -2.30 0.03 0.00 -0.12 0.00 0.00 64.86 62.44 2kl3 h ILE 108 Cb 0.33 2.24 -0.00 0.00 -3.03 0.00 0.00 36.82 36.36 2kl3 h ILE 108 CO 0.05 0.68 0.11 -0.33 -0.68 0.00 0.00 178.15 177.97 2kl3 h GLU 109 N 0.20 0.00 -0.05 2.37 4.39 -1.26 -1.60 114.58 118.62 2kl3 h GLU 109 Ca -0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2kl3 h GLU 109 Cb 1.36 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.01 2kl3 h GLU 109 CO 0.13 0.00 0.02 0.77 -1.16 0.00 0.00 179.01 178.77 2kl3 h SER 110 N 0.00 0.07 -2.59 1.42 0.02 -1.13 -3.46 113.55 107.87 2kl3 h SER 110 Ca 0.06 -0.18 0.10 0.00 -0.84 0.00 0.00 61.79 60.93 2kl3 h SER 110 Cb 0.27 -0.02 -0.26 0.00 0.14 0.00 0.00 62.40 62.53 2kl3 h SER 110 CO -0.00 0.23 0.35 0.00 -1.14 0.00 0.00 176.83 176.26 2kl3 s ARG 111 N -5.50 0.42 0.68 3.45 1.04 -0.61 -5.14 118.95 113.29 2kl3 s ARG 111 Ca -0.14 0.72 -0.11 0.00 -1.04 0.00 0.00 55.73 55.16 2kl3 s ARG 111 Cb 0.05 0.08 -0.00 0.00 -2.04 0.00 0.00 34.95 33.04 2kl3 s ARG 111 CO 0.68 -0.09 1.06 0.95 -0.04 0.00 0.00 175.30 177.86 2kl3 s THR 112 N 1.35 4.03 0.00 4.99 -4.23 -1.19 -4.64 115.64 115.95 2kl3 s THR 112 Ca -0.09 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 2kl3 s THR 112 Cb -0.04 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.22 2kl3 s THR 112 CO -0.15 -0.86 0.00 -2.65 -0.54 0.00 0.00 174.62 170.42 2kl3 n PRO 113 N -2.97 3.52 -3.21 3.99 -0.02 -1.26 -5.13 135.00 129.92 2kl3 n PRO 113 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2kl3 n PRO 113 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 2kl3 n PRO 113 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kl3 n ALA 114 N -3.00 0.00 -0.35 3.55 0.00 -1.26 -5.17 120.51 114.29 2kl3 n ALA 114 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kl3 n ALA 114 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kl3 n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl3 n GLY 115 N -0.10 -0.58 3.15 0.00 0.00 -1.26 -5.13 105.19 101.27 2kl3 n GLY 115 Ca 0.00 -0.88 0.05 0.00 0.00 0.00 0.00 46.02 45.19 2kl3 n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kl3 s ALA 116 N 0.00 -3.51 -0.30 4.61 0.00 -1.26 -5.16 121.76 116.14 2kl3 s ALA 116 Ca 0.00 1.26 -0.17 0.00 0.00 0.00 0.00 51.96 53.05 2kl3 s ALA 116 Cb 0.00 -2.74 0.18 0.00 0.00 0.00 0.00 23.12 20.56 2kl3 s ALA 116 CO 0.00 -2.01 1.15 0.34 0.00 0.00 0.00 175.76 175.24 2kl3 s ASP 117 N 2.91 -0.28 0.21 0.00 2.15 -1.26 -5.19 116.67 115.21 2kl3 s ASP 117 Ca 0.22 0.40 -0.11 0.00 0.43 0.00 0.00 52.55 53.49 2kl3 s ASP 117 Cb -0.04 1.28 -0.00 0.00 -0.30 0.00 0.00 42.92 43.86 2kl3 s ASP 117 CO -0.24 -0.06 0.41 1.51 -0.17 0.00 0.00 175.17 176.62 2kl3 s ASP 118 N 1.99 -0.06 0.01 -0.34 -4.77 -1.26 -5.18 116.67 107.06 2kl3 s ASP 118 Ca -0.03 -0.89 0.04 0.00 -3.30 0.00 0.00 52.55 48.38 2kl3 s ASP 118 Cb -0.03 0.53 -0.01 0.00 -1.09 0.00 0.00 42.92 42.31 2kl3 s ASP 118 CO -0.16 -1.04 -0.13 -0.47 0.70 0.00 0.00 175.17 174.07 2kl3 s TYR 119 N -4.00 1.13 -0.68 2.11 5.04 -1.26 -5.10 117.35 114.60 2kl3 s TYR 119 Ca 0.20 -0.27 -0.24 0.00 -2.44 0.00 0.00 57.07 54.32 2kl3 s TYR 119 Cb 0.01 -0.70 0.06 0.00 0.35 0.00 0.00 41.96 41.67 2kl3 s TYR 119 CO 0.05 0.00 1.06 -0.80 -1.34 0.00 0.00 175.55 174.52 2kl3 s ASN 120 N -0.67 6.18 0.03 4.32 -0.87 -1.26 -4.87 114.94 117.80 2kl3 s ASN 120 Ca 0.03 -0.78 0.10 0.00 -1.57 0.00 0.00 52.86 50.64 2kl3 s ASN 120 Cb -0.06 -2.46 -0.22 0.00 -0.02 0.00 0.00 41.25 38.48 2kl3 s ASN 120 CO 0.00 -1.55 0.93 0.58 -2.57 0.00 0.00 177.10 174.50 2kl3 h VAL 121 N 5.99 1.23 -0.29 1.60 2.07 -2.07 -3.43 116.25 121.35 2kl3 h VAL 121 Ca -0.28 -3.02 -0.09 0.00 0.82 0.00 0.00 66.70 64.13 2kl3 h VAL 121 Cb 1.06 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.44 2kl3 h VAL 121 CO 1.21 0.71 0.26 0.68 0.02 0.00 0.00 177.57 180.45 2kl3 s VAL 122 N -2.65 3.14 -0.44 2.57 -7.23 -1.26 -4.74 120.40 109.79 2kl3 s VAL 122 Ca -0.02 -0.20 0.05 0.00 -1.81 0.00 0.00 61.98 60.00 2kl3 s VAL 122 Cb 0.09 -3.80 0.19 0.00 0.56 0.00 0.00 36.38 33.42 2kl3 s VAL 122 CO 0.82 -0.27 0.41 -0.24 -0.31 0.00 0.00 175.10 175.51 2kl3 n SER 123 N 18.09 0.17 -3.34 4.85 2.88 -1.26 -5.06 113.62 129.94 2kl3 n SER 123 Ca 0.43 -2.57 0.02 0.00 -1.33 0.00 0.00 58.87 55.43 2kl3 n SER 123 Cb 0.46 -0.60 -0.04 0.00 -0.75 0.00 0.00 64.21 63.28 2kl3 n SER 123 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2kl3 s ARG 124 N -0.46 0.26 -0.06 -1.46 3.52 -1.26 -5.18 118.95 114.31 2kl3 s ARG 124 Ca 0.33 0.62 0.02 0.00 -0.13 0.00 0.00 55.73 56.57 2kl3 s ARG 124 Cb 0.06 0.37 0.01 0.00 -1.56 0.00 0.00 34.95 33.83 2kl3 s ARG 124 CO -0.17 -0.11 -0.12 -1.17 -0.81 0.00 0.00 175.30 172.91 2kl3 s LEU 125 N 2.47 1.68 -0.01 -0.88 2.96 -1.26 -5.13 118.68 118.51 2kl3 s LEU 125 Ca -0.01 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 2kl3 s LEU 125 Cb -0.06 -0.81 -0.00 0.00 0.50 0.00 0.00 46.19 45.81 2kl3 s LEU 125 CO -0.17 0.05 -0.10 -1.83 -1.32 0.00 0.00 176.35 172.98 2kl3 s GLU 126 N 0.56 0.86 -0.30 1.98 1.03 -1.26 -5.12 118.70 116.45 2kl3 s GLU 126 Ca -0.13 -0.34 -0.04 0.00 0.03 0.00 0.00 54.97 54.50 2kl3 s GLU 126 Cb -0.15 -0.82 0.19 0.00 -0.80 0.00 0.00 34.13 32.55 2kl3 s GLU 126 CO 0.03 0.18 0.82 -3.38 -1.33 0.00 0.00 175.26 171.59 2kl3 s HIS 127 N -0.10 -1.14 -0.25 4.83 -3.43 -1.26 -5.14 115.29 108.80 2kl3 s HIS 127 Ca 0.02 0.78 -0.03 0.00 -0.80 0.00 0.00 55.06 55.03 2kl3 s HIS 127 Cb -0.05 0.24 0.14 0.00 -1.43 0.00 0.00 32.58 31.47 2kl3 s HIS 127 CO -0.00 -0.65 0.39 -1.58 -2.00 0.00 0.00 174.74 170.89 2kl3 s HIS 128 N 2.90 -0.86 0.13 0.38 5.04 -1.26 -5.16 115.29 116.45 2kl3 s HIS 128 Ca 0.16 0.86 -0.10 0.00 -1.54 0.00 0.00 55.06 54.45 2kl3 s HIS 128 Cb -0.08 0.04 -0.00 0.00 0.04 0.00 0.00 32.58 32.58 2kl3 s HIS 128 CO -0.22 -0.73 0.26 -3.38 -2.34 0.00 0.00 174.74 168.33 2kl3 s HIS 129 N 2.56 0.23 -0.41 3.88 -3.43 -1.26 -5.14 115.29 111.72 2kl3 s HIS 129 Ca 0.13 -0.62 0.07 0.00 -0.80 0.00 0.00 55.06 53.84 2kl3 s HIS 129 Cb -0.15 -0.02 0.18 0.00 -1.43 0.00 0.00 32.58 31.16 2kl3 s HIS 129 CO -0.16 -0.65 0.67 -3.38 -2.00 0.00 0.00 174.74 169.21 2kl3 s HIS 130 N -3.91 -1.63 0.04 0.38 -3.43 -1.26 -5.16 115.29 100.33 2kl3 s HIS 130 Ca 0.11 0.20 -0.03 0.00 -0.80 0.00 0.00 55.06 54.54 2kl3 s HIS 130 Cb 0.04 0.30 -0.02 0.00 -1.43 0.00 0.00 32.58 31.46 2kl3 s HIS 130 CO -0.06 -1.11 0.02 -1.01 -2.00 0.00 0.00 174.74 170.58 2kl3 s HIS 131 N 1.80 0.34 0.00 0.38 3.76 -1.26 -5.40 115.29 114.91 2kl3 s HIS 131 Ca 0.17 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.34 2kl3 s HIS 131 Cb -0.03 -0.25 0.00 0.00 1.11 0.00 0.00 32.58 33.41 2kl3 s HIS 131 CO -0.07 -0.34 0.00 -2.39 -0.85 0.00 0.00 174.74 171.08