#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl2 s ALA 2 N 0.00 -0.07 -0.13 3.04 0.00 0.19 -4.99 121.76 119.80 2kl2 s ALA 2 Ca 0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 2kl2 s ALA 2 Cb 0.00 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 2kl2 s ALA 2 CO 0.00 -0.43 0.15 -1.01 0.00 0.00 0.00 175.76 174.47 2kl2 s HIS 3 N -3.48 3.58 0.33 0.00 0.09 -1.26 -0.93 115.29 113.62 2kl2 s HIS 3 Ca 0.02 0.52 0.03 0.00 -0.00 0.00 0.00 55.06 55.63 2kl2 s HIS 3 Cb 0.04 -1.98 -0.04 0.00 -0.00 0.00 0.00 32.58 30.60 2kl2 s HIS 3 CO -0.09 0.68 0.13 0.96 -0.00 0.00 0.00 174.74 176.42 2kl2 s ILE 4 N -0.86 0.56 -0.04 0.60 -4.36 -0.83 -2.54 121.20 113.73 2kl2 s ILE 4 Ca 0.14 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 2kl2 s ILE 4 Cb -0.12 -2.53 0.01 0.00 1.25 0.00 0.00 42.46 41.07 2kl2 s ILE 4 CO 0.04 0.00 -0.10 0.12 0.24 0.00 0.00 174.94 175.24 2kl2 s PHE 5 N -3.47 1.08 -0.11 1.37 5.36 -1.20 -2.86 117.98 118.15 2kl2 s PHE 5 Ca 0.33 -0.31 -0.29 0.00 -0.96 0.00 0.00 56.93 55.69 2kl2 s PHE 5 Cb 0.05 -0.80 -0.04 0.00 -0.34 0.00 0.00 43.02 41.90 2kl2 s PHE 5 CO 0.16 -0.16 1.52 0.14 -1.46 0.00 0.00 175.22 175.42 2kl2 s VAL 6 N 0.41 3.82 0.28 3.12 -7.23 -1.17 -4.78 120.40 114.86 2kl2 s VAL 6 Ca -0.07 0.99 0.01 0.00 -1.81 0.00 0.00 61.98 61.09 2kl2 s VAL 6 Cb -0.11 -3.66 0.27 0.00 0.56 0.00 0.00 36.38 33.43 2kl2 s VAL 6 CO 0.01 -0.12 1.82 0.22 -0.31 0.00 0.00 175.10 176.72 2kl2 h TYR 7 N 9.25 1.07 0.00 2.82 3.20 -1.94 -3.42 116.97 127.95 2kl2 h TYR 7 Ca -0.34 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.56 2kl2 h TYR 7 Cb 1.15 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.09 2kl2 h TYR 7 CO 0.86 0.39 0.00 0.41 -1.64 0.00 0.00 178.16 178.19 2kl2 n GLY 8 N -1.34 1.30 0.06 1.82 0.00 -1.26 -4.88 105.19 100.89 2kl2 n GLY 8 Ca 0.19 -0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.17 2kl2 n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kl2 n THR 9 N 0.00 1.52 -2.31 2.61 -2.24 -1.26 -1.83 114.28 110.77 2kl2 n THR 9 Ca 0.00 0.59 0.03 0.00 -2.27 0.00 0.00 64.05 62.40 2kl2 n THR 9 Cb 0.00 -1.59 0.07 0.00 -2.10 0.00 0.00 70.33 66.71 2kl2 n THR 9 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kl2 n LEU 10 N -1.75 1.54 0.00 3.22 4.32 -1.26 -2.97 117.00 120.10 2kl2 n LEU 10 Ca -0.01 -2.59 0.00 0.00 -0.02 0.00 0.00 56.01 53.40 2kl2 n LEU 10 Cb 0.05 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 2kl2 n LEU 10 CO 0.03 0.79 0.00 1.17 -1.22 0.00 0.00 177.39 178.17 2kl2 n LYS 11 N 0.01 0.00 0.00 3.23 0.00 -0.76 -4.92 118.16 115.72 2kl2 n LYS 11 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.41 2kl2 n LYS 11 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 35.03 36.04 2kl2 n LYS 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2kl2 n ARG 12 N -0.48 0.00 -0.18 1.64 5.12 -1.25 -4.78 116.66 116.73 2kl2 n ARG 12 Ca 0.00 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 2kl2 n ARG 12 Cb 0.00 -0.79 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 2kl2 n ARG 12 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kl2 n GLY 13 N -0.51 0.65 3.46 -0.13 0.00 -1.26 -5.11 105.19 102.29 2kl2 n GLY 13 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2kl2 n GLY 13 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kl2 n GLN 14 N 0.00 0.15 0.00 1.61 3.00 -1.26 -4.84 117.38 116.04 2kl2 n GLN 14 Ca 0.00 0.10 0.04 0.00 -0.01 0.00 0.00 57.00 57.12 2kl2 n GLN 14 Cb 0.32 -1.87 0.20 0.00 0.00 0.00 0.00 30.24 28.89 2kl2 n GLN 14 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2kl2 n PRO 15 N -1.09 0.15 0.00 -1.09 -0.04 -1.26 -2.44 135.00 129.22 2kl2 n PRO 15 Ca 0.09 0.15 0.05 0.00 -0.04 0.00 0.00 63.50 63.75 2kl2 n PRO 15 Cb 0.51 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 2kl2 n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kl2 n ASN 16 N -1.19 0.55 -0.18 3.54 3.02 -1.26 -4.69 115.26 115.06 2kl2 n ASN 16 Ca 0.04 -0.78 -0.01 0.00 -0.03 0.00 0.00 54.58 53.80 2kl2 n ASN 16 Cb 0.05 0.95 0.08 0.00 -0.61 0.00 0.00 39.78 40.25 2kl2 n ASN 16 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2kl2 h HIS 17 N 0.11 0.27 0.00 3.10 2.76 -1.37 -0.28 115.15 119.75 2kl2 h HIS 17 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 2kl2 h HIS 17 Cb 0.25 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.17 2kl2 h HIS 17 CO 0.00 0.05 0.46 1.57 -1.30 0.00 0.00 177.93 178.70 2kl2 h LYS 18 N 0.32 0.00 0.00 5.26 5.09 -1.85 -1.69 116.57 123.70 2kl2 h LYS 18 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 61.00 2kl2 h LYS 18 Cb 0.35 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.68 2kl2 h LYS 18 CO -0.31 0.00 -0.07 -0.39 -2.09 0.00 0.00 179.45 176.59 2kl2 h VAL 19 N 0.00 0.46 -0.01 0.07 -1.51 -1.38 -1.70 116.25 112.18 2kl2 h VAL 19 Ca 0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.12 2kl2 h VAL 19 Cb 0.91 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 2kl2 h VAL 19 CO 0.00 0.07 -0.01 1.15 -1.23 0.00 0.00 177.57 177.55 2kl2 n MET 20 N -3.60 1.61 -0.28 5.19 0.00 -0.63 -4.03 117.12 115.37 2kl2 n MET 20 Ca -0.02 -0.90 0.10 0.00 0.00 0.00 0.00 57.70 56.88 2kl2 n MET 20 Cb 0.19 -1.48 0.27 0.00 0.00 0.00 0.00 33.22 32.19 2kl2 n MET 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kl2 n LEU 21 N 0.09 3.17 -3.84 3.17 4.32 -0.64 -4.30 117.00 118.96 2kl2 n LEU 21 Ca 0.19 -1.56 -0.29 0.00 -0.02 0.00 0.00 56.01 54.34 2kl2 n LEU 21 Cb 0.34 -0.37 -0.16 0.00 -1.62 0.00 0.00 43.42 41.61 2kl2 n LEU 21 CO 0.17 0.78 -0.40 -0.62 -1.22 0.00 0.00 177.39 176.10 2kl2 s ASP 22 N -1.07 3.38 0.63 -1.43 -1.08 -1.26 -5.02 116.67 110.82 2kl2 s ASP 22 Ca 0.40 -1.00 0.35 0.00 -0.52 0.00 0.00 52.55 51.78 2kl2 s ASP 22 Cb 0.21 -0.90 1.99 0.00 -1.46 0.00 0.00 42.92 42.76 2kl2 s ASP 22 CO 0.28 -0.27 2.23 -0.74 0.52 0.00 0.00 175.17 177.19 2kl2 h HIS 23 N 8.09 0.00 0.00 -5.34 -0.00 -1.87 0.12 115.15 116.16 2kl2 h HIS 23 Ca -0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.10 2kl2 h HIS 23 Cb 1.10 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.49 2kl2 h HIS 23 CO 0.40 0.00 -0.47 0.77 -0.00 0.00 0.00 177.93 178.63 2kl2 h SER 24 N 0.00 0.00 -0.02 3.26 0.02 -1.97 -2.31 113.55 112.52 2kl2 h SER 24 Ca 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2kl2 h SER 24 Cb 0.19 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 2kl2 h SER 24 CO -0.00 0.47 -0.02 0.45 -1.14 0.00 0.00 176.83 176.59 2kl2 h HIS 25 N 0.00 0.06 0.00 3.45 3.86 -1.15 -3.49 115.15 117.88 2kl2 h HIS 25 Ca -0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2kl2 h HIS 25 Cb 1.14 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.59 2kl2 h HIS 25 CO 0.00 0.52 0.00 0.41 0.86 0.00 0.00 177.93 179.72 2kl2 n GLY 26 N 0.20 -0.72 3.75 2.45 0.00 -0.31 -3.67 105.19 106.89 2kl2 n GLY 26 Ca -0.08 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 2kl2 n GLY 26 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kl2 s LEU 27 N 0.00 4.58 -0.17 0.99 2.96 -1.26 -3.85 118.68 121.93 2kl2 s LEU 27 Ca 0.00 1.78 -0.06 0.00 -0.22 0.00 0.00 54.13 55.63 2kl2 s LEU 27 Cb 0.00 -3.48 0.08 0.00 0.50 0.00 0.00 46.19 43.28 2kl2 s LEU 27 CO 0.00 0.11 0.35 0.00 -1.32 0.00 0.00 176.35 175.48 2kl2 s ALA 28 N -0.78 -0.88 -0.13 5.97 0.00 -1.26 -3.59 121.76 121.09 2kl2 s ALA 28 Ca 0.41 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.65 2kl2 s ALA 28 Cb -0.24 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.74 2kl2 s ALA 28 CO 0.29 -0.66 -0.20 0.00 0.00 0.00 0.00 175.76 175.19 2kl2 s ALA 29 N 2.41 2.11 -0.72 0.00 0.00 -0.16 -4.96 121.76 120.43 2kl2 s ALA 29 Ca -0.01 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 50.69 2kl2 s ALA 29 Cb -0.12 -0.94 -0.10 0.00 0.00 0.00 0.00 23.12 21.96 2kl2 s ALA 29 CO -0.11 -0.02 2.28 0.12 0.00 0.00 0.00 175.76 178.03 2kl2 s PHE 30 N 0.83 1.28 -1.16 0.00 5.36 -1.26 -1.56 117.98 121.46 2kl2 s PHE 30 Ca -0.08 1.56 -0.03 0.00 -0.96 0.00 0.00 56.93 57.42 2kl2 s PHE 30 Cb -0.16 -3.63 0.23 0.00 -0.34 0.00 0.00 43.02 39.13 2kl2 s PHE 30 CO -0.01 -1.89 2.04 0.54 -1.46 0.00 0.00 175.22 174.43 2kl2 n ARG 31 N 8.90 4.97 0.00 10.12 5.12 -0.61 -4.84 116.66 140.32 2kl2 n ARG 31 Ca 0.41 -4.12 0.00 0.00 -1.93 0.00 0.00 57.85 52.21 2kl2 n ARG 31 Cb 0.47 -2.56 0.00 0.00 -1.16 0.00 0.00 32.46 29.21 2kl2 n ARG 31 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kl2 n GLY 32 N 0.88 -1.04 3.41 -0.13 0.00 -1.26 -4.43 105.19 102.62 2kl2 n GLY 32 Ca 0.52 -1.22 -0.20 0.00 0.00 0.00 0.00 46.02 45.12 2kl2 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kl2 s ARG 33 N 0.00 1.54 -0.04 1.61 0.52 -0.22 -1.33 118.95 121.02 2kl2 s ARG 33 Ca 0.00 -1.82 -0.30 0.00 -0.52 0.00 0.00 55.73 53.09 2kl2 s ARG 33 Cb 0.00 -0.82 0.11 0.00 0.52 0.00 0.00 34.95 34.76 2kl2 s ARG 33 CO 0.00 -0.13 1.33 0.20 0.02 0.00 0.00 175.30 176.72 2kl2 s GLY 34 N -3.42 -0.28 0.05 -3.53 0.00 -1.22 -0.42 107.32 98.50 2kl2 s GLY 34 Ca 0.33 0.39 -0.04 0.00 0.00 0.00 0.00 44.72 45.40 2kl2 s GLY 34 CO 0.13 3.45 0.06 0.00 0.00 0.00 0.00 173.10 176.75 2kl2 s THR 36 N -3.12 3.76 0.06 0.00 -4.23 -0.58 -0.99 115.64 110.55 2kl2 s THR 36 Ca -0.01 0.91 -0.18 0.00 -1.18 0.00 0.00 61.69 61.23 2kl2 s THR 36 Cb 0.02 -3.62 -0.13 0.00 1.34 0.00 0.00 72.50 70.11 2kl2 s THR 36 CO -0.07 -0.12 1.35 0.58 -0.54 0.00 0.00 174.62 175.82 2kl2 h VAL 37 N 5.66 1.33 -2.33 2.29 2.07 -1.89 -3.38 116.25 120.00 2kl2 h VAL 37 Ca -0.35 -1.48 -0.56 0.00 0.82 0.00 0.00 66.70 65.13 2kl2 h VAL 37 Cb 1.16 1.83 0.03 0.00 -1.52 0.00 0.00 31.29 32.79 2kl2 h VAL 37 CO 0.97 0.45 1.11 -0.62 0.02 0.00 0.00 177.57 179.50 2kl2 n GLU 38 N -4.37 2.61 -1.74 1.57 1.02 -1.26 -4.93 120.64 113.54 2kl2 n GLU 38 Ca -0.06 0.95 -0.38 0.00 -0.02 0.00 0.00 57.16 57.66 2kl2 n GLU 38 Cb 0.46 -2.84 0.06 0.00 -0.02 0.00 0.00 31.44 29.10 2kl2 n GLU 38 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kl2 s SER 39 N 3.28 4.80 0.03 1.62 0.01 -1.26 -4.60 113.70 117.57 2kl2 s SER 39 Ca 0.86 2.70 -0.03 0.00 1.31 0.00 0.00 55.95 60.78 2kl2 s SER 39 Cb -0.54 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.05 2kl2 s SER 39 CO 0.42 -1.88 0.04 -0.36 0.41 0.00 0.00 173.24 171.86 2kl2 s PHE 40 N -1.35 0.25 -1.22 2.43 0.08 0.49 -0.52 117.98 118.14 2kl2 s PHE 40 Ca 0.79 -0.55 -0.20 0.00 0.12 0.00 0.00 56.93 57.09 2kl2 s PHE 40 Cb -0.39 -0.18 0.05 0.00 -0.57 0.00 0.00 43.02 41.93 2kl2 s PHE 40 CO 0.43 -0.29 1.68 -1.25 -0.10 0.00 0.00 175.22 175.69 2kl2 s PRO 41 N -2.24 3.78 -0.14 0.24 0.04 -1.20 -3.73 135.00 131.76 2kl2 s PRO 41 Ca -0.08 -1.70 -0.29 0.00 0.04 0.00 0.00 61.00 58.96 2kl2 s PRO 41 Cb -0.04 -5.47 -0.01 0.00 0.04 0.00 0.00 34.50 29.02 2kl2 s PRO 41 CO -0.03 -2.37 1.11 -1.17 0.04 0.00 0.00 177.00 174.58 2kl2 s LEU 42 N 4.91 4.20 0.02 -3.56 0.20 -1.26 -4.01 118.68 119.19 2kl2 s LEU 42 Ca 0.53 1.59 0.03 0.00 0.69 0.00 0.00 54.13 56.97 2kl2 s LEU 42 Cb 0.03 -3.55 -0.02 0.00 -0.43 0.00 0.00 46.19 42.22 2kl2 s LEU 42 CO 0.04 -0.60 -0.08 0.68 -0.29 0.00 0.00 176.35 176.09 2kl2 s VAL 43 N 2.64 0.64 -1.25 1.68 -7.23 -1.26 -2.44 120.40 113.19 2kl2 s VAL 43 Ca 0.50 -0.71 -0.12 0.00 -1.81 0.00 0.00 61.98 59.84 2kl2 s VAL 43 Cb -0.20 -0.61 0.16 0.00 0.56 0.00 0.00 36.38 36.30 2kl2 s VAL 43 CO 0.15 -0.07 1.63 -0.38 -0.31 0.00 0.00 175.10 176.12 2kl2 n ILE 44 N 2.20 4.24 -1.26 -0.62 5.41 -1.26 -1.76 119.36 126.31 2kl2 n ILE 44 Ca -0.17 -4.53 -0.09 0.00 1.00 0.00 0.00 62.75 58.96 2kl2 n ILE 44 Cb 0.56 -2.43 0.06 0.00 -0.71 0.00 0.00 39.64 37.13 2kl2 n ILE 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kl2 n ALA 45 N 5.21 -0.48 0.00 -1.39 0.00 -1.24 -4.81 120.51 117.81 2kl2 n ALA 45 Ca 0.39 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2kl2 n ALA 45 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.83 2kl2 n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl2 n GLY 46 N 2.32 -1.97 0.00 0.00 0.00 -1.26 -0.93 105.19 103.35 2kl2 n GLY 46 Ca 0.05 -1.28 0.10 0.00 0.00 0.00 0.00 46.02 44.90 2kl2 n GLY 46 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kl2 n GLU 47 N -0.51 0.83 -0.06 1.61 4.07 -1.26 -1.11 120.64 124.21 2kl2 n GLU 47 Ca 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.18 2kl2 n GLU 47 Cb 0.00 -1.39 0.11 0.00 -0.06 0.00 0.00 31.44 30.10 2kl2 n GLU 47 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2kl2 n HIS 48 N -0.89 0.00 -3.34 4.31 8.25 -1.26 -5.01 115.22 117.29 2kl2 n HIS 48 Ca 0.15 -0.88 -0.09 0.00 -0.26 0.00 0.00 57.72 56.64 2kl2 n HIS 48 Cb 0.07 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.05 2kl2 n HIS 48 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2kl2 n ASN 49 N -1.21 -6.68 -4.23 0.41 3.02 -0.26 -1.77 115.26 104.53 2kl2 n ASN 49 Ca 0.12 -0.41 -0.42 0.00 -0.03 0.00 0.00 54.58 53.85 2kl2 n ASN 49 Cb 0.55 -3.93 -0.04 0.00 -0.61 0.00 0.00 39.78 35.75 2kl2 n ASN 49 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kl2 s ILE 50 N -2.99 5.00 0.44 2.41 1.01 -0.11 -3.78 121.20 123.18 2kl2 s ILE 50 Ca 0.00 -3.02 -0.24 0.00 0.00 0.00 0.00 60.65 57.39 2kl2 s ILE 50 Cb -0.00 -4.10 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 2kl2 s ILE 50 CO 0.81 -1.03 1.26 -2.16 0.00 0.00 0.00 174.94 173.81 2kl2 s PRO 51 N -0.44 3.79 0.00 2.79 0.04 -1.26 -3.59 135.00 136.33 2kl2 s PRO 51 Ca 0.22 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2kl2 s PRO 51 Cb -0.12 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2kl2 s PRO 51 CO -0.08 -0.60 0.00 0.91 0.04 0.00 0.00 177.00 177.27 2kl2 n TRP 52 N -0.24 -1.11 -3.42 0.56 7.02 -0.72 -4.94 117.44 114.59 2kl2 n TRP 52 Ca 0.06 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.31 2kl2 n TRP 52 Cb 0.45 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.24 2kl2 n TRP 52 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2kl2 s LEU 53 N 0.00 0.35 -0.07 -0.99 2.96 -1.26 -4.22 118.68 115.44 2kl2 s LEU 53 Ca 0.00 -1.69 -0.30 0.00 -0.22 0.00 0.00 54.13 51.92 2kl2 s LEU 53 Cb 0.00 0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.78 2kl2 s LEU 53 CO 0.00 -0.31 1.40 -0.76 -1.32 0.00 0.00 176.35 175.36 2kl2 s LEU 54 N 1.46 4.27 -0.92 -0.68 1.43 -1.26 -1.03 118.68 121.94 2kl2 s LEU 54 Ca 0.16 1.97 -0.24 0.00 -1.03 0.00 0.00 54.13 54.99 2kl2 s LEU 54 Cb -0.18 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.45 2kl2 s LEU 54 CO -0.08 -0.77 1.94 -0.47 0.23 0.00 0.00 176.35 177.20 2kl2 s TYR 55 N 3.14 1.83 -0.48 0.29 5.04 -0.89 -4.25 117.35 122.04 2kl2 s TYR 55 Ca 0.62 0.59 0.05 0.00 -2.44 0.00 0.00 57.07 55.89 2kl2 s TYR 55 Cb -0.28 -4.05 0.19 0.00 0.35 0.00 0.00 41.96 38.16 2kl2 s TYR 55 CO 0.23 -1.71 0.42 -0.11 -1.34 0.00 0.00 175.55 173.04 2kl2 n LEU 56 N 13.92 0.52 -4.67 6.97 -0.00 -1.26 -4.99 117.00 127.48 2kl2 n LEU 56 Ca 0.40 -4.64 -0.42 0.00 -0.00 0.00 0.00 56.01 51.35 2kl2 n LEU 56 Cb 0.47 0.24 -0.03 0.00 -0.00 0.00 0.00 43.42 44.10 2kl2 n LEU 56 CO 0.61 1.88 1.54 -2.16 -0.00 0.00 0.00 177.39 179.26 2kl2 s PRO 57 N -0.56 4.15 0.00 1.96 0.04 -1.26 -2.44 135.00 136.88 2kl2 s PRO 57 Ca 0.32 2.56 0.00 0.00 0.04 0.00 0.00 61.00 63.92 2kl2 s PRO 57 Cb 0.05 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.58 2kl2 s PRO 57 CO -0.17 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.37 2kl2 n GLY 58 N 4.42 0.50 3.83 0.56 0.00 0.32 -4.91 105.19 109.91 2kl2 n GLY 58 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 2kl2 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kl2 s LYS 59 N -0.90 2.44 0.00 1.61 3.01 -1.02 -4.73 119.74 120.16 2kl2 s LYS 59 Ca 0.00 -1.62 0.00 0.00 -1.01 0.00 0.00 55.97 53.34 2kl2 s LYS 59 Cb 0.00 -2.26 0.00 0.00 -1.01 0.00 0.00 37.83 34.56 2kl2 s LYS 59 CO 0.00 -0.14 0.00 0.41 0.51 0.00 0.00 175.35 176.13 2kl2 n GLY 60 N -1.43 1.52 0.33 -3.33 0.00 -1.26 -1.08 105.19 99.94 2kl2 n GLY 60 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 2kl2 n GLY 60 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kl2 n HIS 61 N -2.00 -0.87 -1.10 1.61 8.25 -1.24 -4.11 115.22 115.76 2kl2 n HIS 61 Ca 0.00 0.46 -0.29 0.00 -0.26 0.00 0.00 57.72 57.64 2kl2 n HIS 61 Cb 0.00 -0.79 0.19 0.00 1.12 0.00 0.00 29.99 30.51 2kl2 n HIS 61 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kl2 s VAL 63 N -2.93 0.52 0.64 0.00 1.01 -1.25 -4.24 120.40 114.15 2kl2 s VAL 63 Ca 0.66 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 2kl2 s VAL 63 Cb -0.18 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 2kl2 s VAL 63 CO 0.58 -0.49 1.08 0.42 0.00 0.00 0.00 175.10 176.69 2kl2 s THR 64 N 1.82 3.60 0.00 3.92 -4.23 -1.05 -1.52 115.64 118.19 2kl2 s THR 64 Ca 0.05 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.27 2kl2 s THR 64 Cb -0.17 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.42 2kl2 s THR 64 CO -0.20 -0.50 0.00 0.61 -0.54 0.00 0.00 174.62 173.99 2kl2 n GLY 65 N -0.95 1.70 3.34 3.99 0.00 -0.55 -4.87 105.19 107.84 2kl2 n GLY 65 Ca 0.09 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 2kl2 n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kl2 s GLU 66 N 1.44 1.39 -0.03 1.61 2.02 -1.25 -3.40 118.70 120.49 2kl2 s GLU 66 Ca 0.00 -1.55 0.07 0.00 0.02 0.00 0.00 54.97 53.50 2kl2 s GLU 66 Cb 0.00 0.35 -0.02 0.00 0.10 0.00 0.00 34.13 34.55 2kl2 s GLU 66 CO 0.00 -0.51 -0.22 0.42 0.02 0.00 0.00 175.26 174.97 2kl2 s ILE 67 N -3.99 2.37 -0.06 -1.63 1.01 -0.44 -3.02 121.20 115.44 2kl2 s ILE 67 Ca 0.34 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2kl2 s ILE 67 Cb 0.04 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.67 2kl2 s ILE 67 CO 0.13 0.58 -0.03 -0.31 0.00 0.00 0.00 174.94 175.31 2kl2 s TYR 68 N -0.62 0.77 0.14 3.97 1.51 -1.14 -1.58 117.35 120.41 2kl2 s TYR 68 Ca 0.10 -0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 55.62 2kl2 s TYR 68 Cb -0.10 -0.76 -0.07 0.00 -0.11 0.00 0.00 41.96 40.92 2kl2 s TYR 68 CO -0.00 -0.26 1.23 -2.00 -1.11 0.00 0.00 175.55 173.40 2kl2 s GLU 69 N 1.35 4.44 0.17 -0.62 2.12 -0.60 -1.98 118.70 123.59 2kl2 s GLU 69 Ca -0.04 1.89 0.01 0.00 0.36 0.00 0.00 54.97 57.19 2kl2 s GLU 69 Cb -0.13 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 2kl2 s GLU 69 CO -0.02 -0.19 0.01 0.14 -0.54 0.00 0.00 175.26 174.65 2kl2 s VAL 70 N 0.42 0.61 0.49 3.70 -7.23 -0.11 -0.99 120.40 117.30 2kl2 s VAL 70 Ca 0.56 -1.97 0.04 0.00 -1.81 0.00 0.00 61.98 58.80 2kl2 s VAL 70 Cb -0.33 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.47 2kl2 s VAL 70 CO 0.34 -0.46 0.15 -1.81 -0.31 0.00 0.00 175.10 173.02 2kl2 s ASP 71 N -3.16 4.31 0.31 4.85 1.11 -1.24 -0.64 116.67 122.22 2kl2 s ASP 71 Ca 0.24 -1.40 -0.01 0.00 0.18 0.00 0.00 52.55 51.56 2kl2 s ASP 71 Cb 0.06 0.22 0.50 0.00 1.07 0.00 0.00 42.92 44.77 2kl2 s ASP 71 CO 0.04 -0.83 1.97 -0.33 1.18 0.00 0.00 175.17 177.19 2kl2 h GLU 72 N 1.22 0.99 -0.93 8.23 5.08 -1.95 -2.23 114.58 124.99 2kl2 h GLU 72 Ca -0.42 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 57.92 2kl2 h GLU 72 Cb 1.29 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 2kl2 h GLU 72 CO 0.69 0.67 0.60 0.37 -1.00 0.00 0.00 179.01 180.34 2kl2 h GLN 73 N 1.02 1.08 -0.05 2.33 5.75 -1.96 0.14 115.11 123.42 2kl2 h GLN 73 Ca 0.27 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.69 2kl2 h GLN 73 Cb -0.08 -0.24 -0.00 0.00 1.07 0.00 0.00 27.48 28.22 2kl2 h GLN 73 CO -0.06 0.72 -0.04 1.98 -2.65 0.00 0.00 178.83 178.78 2kl2 h MET 74 N 1.11 0.12 -0.38 1.69 4.05 -1.49 -1.31 114.93 118.73 2kl2 h MET 74 Ca 0.39 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.79 2kl2 h MET 74 Cb 0.10 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 2kl2 h MET 74 CO -0.15 0.53 0.25 1.25 0.23 0.00 0.00 176.91 179.02 2kl2 h LEU 75 N -0.30 0.32 -0.35 3.39 5.85 -1.09 -0.70 115.31 122.43 2kl2 h LEU 75 Ca 0.01 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.54 2kl2 h LEU 75 Cb 0.50 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2kl2 h LEU 75 CO 0.01 0.22 -0.80 0.03 -0.34 0.00 0.00 178.44 177.55 2kl2 h ARG 76 N 0.37 0.30 0.00 1.25 3.08 -0.57 -3.21 114.38 115.60 2kl2 h ARG 76 Ca 0.16 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 2kl2 h ARG 76 Cb 0.16 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2kl2 h ARG 76 CO -0.04 0.96 -0.09 0.35 -1.07 0.00 0.00 179.97 180.08 2kl2 h PHE 77 N 0.19 0.09 -0.89 3.04 3.57 -0.55 -3.31 116.94 119.08 2kl2 h PHE 77 Ca -0.04 -0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.49 2kl2 h PHE 77 Cb 1.40 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 40.06 2kl2 h PHE 77 CO 0.04 0.85 0.54 -0.07 -2.23 0.00 0.00 178.31 177.44 2kl2 h LEU 78 N -0.69 0.82 -0.81 0.59 4.07 -1.28 -0.71 115.31 117.30 2kl2 h LEU 78 Ca -0.01 0.03 0.19 0.00 0.08 0.00 0.00 57.88 58.17 2kl2 h LEU 78 Cb 0.88 -0.13 -0.14 0.00 1.08 0.00 0.00 40.66 42.34 2kl2 h LEU 78 CO 0.02 0.48 -0.02 -0.78 -1.08 0.00 0.00 178.44 177.06 2kl2 h ASP 79 N 0.93 -0.44 -0.28 -0.43 3.58 -1.65 0.31 116.42 118.44 2kl2 h ASP 79 Ca 0.42 0.22 -0.19 0.00 0.42 0.00 0.00 57.03 57.89 2kl2 h ASP 79 Cb 0.31 0.40 0.00 0.00 1.72 0.00 0.00 39.33 41.76 2kl2 h ASP 79 CO -0.22 -0.22 -0.57 -0.78 -2.88 0.00 0.00 179.24 174.57 2kl2 h ASP 80 N 0.07 0.98 -0.03 2.28 1.82 -1.25 -0.26 116.42 120.04 2kl2 h ASP 80 Ca 0.44 -0.54 -0.07 0.00 -0.39 0.00 0.00 57.03 56.48 2kl2 h ASP 80 Cb 0.79 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.51 2kl2 h ASP 80 CO -0.74 1.34 -0.16 0.15 -1.61 0.00 0.00 179.24 178.22 2kl2 h PHE 81 N 0.66 0.38 -0.54 0.28 3.57 -0.09 -1.23 116.94 119.98 2kl2 h PHE 81 Ca 0.01 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2kl2 h PHE 81 Cb 1.18 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 2kl2 h PHE 81 CO 0.07 0.51 0.00 -0.85 -2.23 0.00 0.00 178.31 175.82 2kl2 n GLU 82 N -4.21 4.67 -1.22 1.11 0.28 -0.68 -4.94 120.64 115.65 2kl2 n GLU 82 Ca -0.00 -3.14 -0.11 0.00 -0.16 0.00 0.00 57.16 53.76 2kl2 n GLU 82 Cb 0.32 -2.22 -0.05 0.00 1.43 0.00 0.00 31.44 30.92 2kl2 n GLU 82 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2kl2 n ASP 83 N 0.47 -3.97 -4.76 -1.84 2.03 -0.46 -3.09 116.55 104.93 2kl2 n ASP 83 Ca 0.27 0.26 -0.39 0.00 0.52 0.00 0.00 54.79 55.46 2kl2 n ASP 83 Cb 1.17 -3.30 0.03 0.00 -0.72 0.00 0.00 41.12 38.30 2kl2 n ASP 83 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kl2 n PRO 85 N -0.72 0.78 0.38 0.00 -0.04 -1.26 -4.49 135.00 129.65 2kl2 n PRO 85 Ca 0.08 -0.05 -0.15 0.00 -0.04 0.00 0.00 63.50 63.34 2kl2 n PRO 85 Cb 0.45 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 2kl2 n PRO 85 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2kl2 h SER 86 N 0.12 -0.83 0.00 3.54 0.02 -1.48 -3.42 113.55 111.50 2kl2 h SER 86 Ca 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2kl2 h SER 86 Cb 0.15 0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2kl2 h SER 86 CO 0.00 -0.52 0.00 0.23 -1.14 0.00 0.00 176.83 175.40 2kl2 n MET 87 N -5.05 0.00 -2.20 3.45 2.81 -0.98 -4.95 117.12 110.19 2kl2 n MET 87 Ca -0.12 0.17 -0.26 0.00 -1.81 0.00 0.00 57.70 55.68 2kl2 n MET 87 Cb 0.39 -0.62 0.07 0.00 -0.71 0.00 0.00 33.22 32.34 2kl2 n MET 87 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2kl2 s TYR 88 N -0.40 2.92 -0.11 2.03 1.51 -1.18 -4.81 117.35 117.32 2kl2 s TYR 88 Ca 0.00 0.45 -0.05 0.00 -1.01 0.00 0.00 57.07 56.46 2kl2 s TYR 88 Cb 0.00 -3.19 0.05 0.00 -0.11 0.00 0.00 41.96 38.71 2kl2 s TYR 88 CO 0.00 -1.40 0.24 -0.65 -1.11 0.00 0.00 175.55 172.63 2kl2 s GLN 89 N -5.24 0.17 0.17 -0.62 1.11 0.31 -4.14 119.66 111.41 2kl2 s GLN 89 Ca 0.60 0.58 -0.31 0.00 0.01 0.00 0.00 55.36 56.24 2kl2 s GLN 89 Cb -0.11 -0.11 -0.09 0.00 -1.01 0.00 0.00 33.01 31.69 2kl2 s GLN 89 CO 0.45 -0.21 1.43 0.50 0.01 0.00 0.00 175.29 177.47 2kl2 s ARG 90 N 1.64 4.29 0.41 2.91 3.00 -1.26 -0.92 118.95 129.02 2kl2 s ARG 90 Ca -0.06 2.19 0.04 0.00 -1.00 0.00 0.00 55.73 56.90 2kl2 s ARG 90 Cb -0.11 -3.19 -0.03 0.00 0.00 0.00 0.00 34.95 31.62 2kl2 s ARG 90 CO -0.08 -0.45 0.11 0.99 0.00 0.00 0.00 175.30 175.87 2kl2 s THR 91 N 0.75 0.72 0.06 4.11 2.01 -0.24 -4.91 115.64 118.14 2kl2 s THR 91 Ca 0.64 -2.00 0.08 0.00 0.31 0.00 0.00 61.69 60.71 2kl2 s THR 91 Cb -0.40 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 2kl2 s THR 91 CO 0.34 0.00 -0.19 0.00 -0.69 0.00 0.00 174.62 174.08 2kl2 s ALA 92 N -3.19 2.59 0.33 7.40 0.00 -1.26 -1.73 121.76 125.90 2kl2 s ALA 92 Ca 0.23 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 51.00 2kl2 s ALA 92 Cb 0.03 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.43 2kl2 s ALA 92 CO 0.14 0.57 0.33 -0.48 0.00 0.00 0.00 175.76 176.32 2kl2 s LEU 93 N -1.59 1.52 -0.27 0.00 -0.00 -0.79 -4.94 118.68 112.60 2kl2 s LEU 93 Ca 0.15 -1.67 -0.06 0.00 -0.00 0.00 0.00 54.13 52.55 2kl2 s LEU 93 Cb -0.10 0.82 0.01 0.00 -0.00 0.00 0.00 46.19 46.91 2kl2 s LEU 93 CO 0.06 -1.13 0.04 -1.58 -0.00 0.00 0.00 176.35 173.75 2kl2 s GLN 94 N -3.35 3.13 0.02 1.48 2.00 -1.26 -2.75 119.66 118.93 2kl2 s GLN 94 Ca 0.38 -0.82 0.03 0.00 -2.00 0.00 0.00 55.36 52.95 2kl2 s GLN 94 Cb 0.02 -3.26 -0.04 0.00 0.80 0.00 0.00 33.01 30.53 2kl2 s GLN 94 CO 0.25 -0.39 -0.02 0.08 -0.50 0.00 0.00 175.29 174.71 2kl2 s VAL 95 N 1.48 3.97 0.19 1.34 1.01 -0.54 -3.38 120.40 124.47 2kl2 s VAL 95 Ca 0.03 -0.74 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 2kl2 s VAL 95 Cb -0.17 -2.79 -0.08 0.00 0.00 0.00 0.00 36.38 33.35 2kl2 s VAL 95 CO 0.01 0.32 0.73 -1.58 0.00 0.00 0.00 175.10 174.58 2kl2 s GLN 96 N -1.68 4.35 -0.58 2.72 0.74 -0.16 -1.26 119.66 123.79 2kl2 s GLN 96 Ca 0.20 0.96 -0.22 0.00 0.05 0.00 0.00 55.36 56.35 2kl2 s GLN 96 Cb -0.11 -3.02 0.06 0.00 1.10 0.00 0.00 33.01 31.03 2kl2 s GLN 96 CO 0.11 0.47 0.84 0.54 -0.55 0.00 0.00 175.29 176.70 2kl2 s VAL 97 N -1.37 4.53 0.03 1.34 0.11 -0.78 -2.05 120.40 122.21 2kl2 s VAL 97 Ca 0.40 -0.27 0.27 0.00 -2.93 0.00 0.00 61.98 59.44 2kl2 s VAL 97 Cb -0.19 -4.52 0.30 0.00 -1.53 0.00 0.00 36.38 30.43 2kl2 s VAL 97 CO 0.22 -1.16 1.83 -0.07 -3.33 0.00 0.00 175.10 172.60 2kl2 h LEU 98 N 10.68 0.00 -7.00 2.54 4.07 -1.05 -3.46 115.31 121.08 2kl2 h LEU 98 Ca -0.28 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.64 2kl2 h LEU 98 Cb 1.08 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 42.65 2kl2 h LEU 98 CO 1.09 0.13 0.20 -0.70 -1.08 0.00 0.00 178.44 178.08 2kl2 s GLU 99 N -3.56 1.13 -0.06 1.13 2.12 -1.03 -4.82 118.70 113.61 2kl2 s GLU 99 Ca 0.02 0.01 -0.01 0.00 0.36 0.00 0.00 54.97 55.35 2kl2 s GLU 99 Cb 0.09 0.53 0.03 0.00 0.26 0.00 0.00 34.13 35.03 2kl2 s GLU 99 CO 0.61 -0.40 0.02 -0.46 -0.54 0.00 0.00 175.26 174.48 2kl2 s TRP 100 N -2.05 0.48 -0.47 5.30 -0.11 -1.26 -1.06 118.94 119.77 2kl2 s TRP 100 Ca -0.07 -0.04 -0.08 0.00 1.22 0.00 0.00 56.10 57.13 2kl2 s TRP 100 Cb -0.00 -0.69 0.12 0.00 -1.50 0.00 0.00 33.47 31.40 2kl2 s TRP 100 CO 0.02 -0.28 0.33 -1.21 -4.62 0.00 0.00 176.95 171.19 2kl2 s GLU 101 N 1.94 2.39 0.00 5.86 0.41 -1.26 -4.91 118.70 123.13 2kl2 s GLU 101 Ca 0.04 -1.81 0.00 0.00 -0.41 0.00 0.00 54.97 52.78 2kl2 s GLU 101 Cb -0.12 -3.86 0.00 0.00 -1.78 0.00 0.00 34.13 28.37 2kl2 s GLU 101 CO -0.04 -1.17 0.00 0.41 -0.49 0.00 0.00 175.26 173.97 2kl2 n GLY 102 N 4.78 -1.58 3.59 -1.39 0.00 -1.26 -4.75 105.19 104.59 2kl2 n GLY 102 Ca -0.06 -2.16 -0.29 0.00 0.00 0.00 0.00 46.02 43.52 2kl2 n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl2 s ASP 103 N -2.67 1.72 0.00 1.61 2.15 -1.26 -4.73 116.67 113.48 2kl2 s ASP 103 Ca 0.00 1.18 0.00 0.00 0.43 0.00 0.00 52.55 54.16 2kl2 s ASP 103 Cb 0.00 -1.83 0.00 0.00 -0.30 0.00 0.00 42.92 40.79 2kl2 s ASP 103 CO 0.00 -3.70 0.00 0.61 -0.17 0.00 0.00 175.17 171.91 2kl2 n GLY 104 N -0.43 0.80 3.32 2.66 0.00 -1.26 -5.04 105.19 105.24 2kl2 n GLY 104 Ca 0.05 -0.47 -0.46 0.00 0.00 0.00 0.00 46.02 45.14 2kl2 n GLY 104 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl2 s ASP 105 N -2.41 6.72 0.56 1.61 2.15 -1.26 -4.93 116.67 119.11 2kl2 s ASP 105 Ca 0.00 -2.74 0.25 0.00 0.43 0.00 0.00 52.55 50.49 2kl2 s ASP 105 Cb 0.00 -2.19 1.56 0.00 -0.30 0.00 0.00 42.92 41.99 2kl2 s ASP 105 CO 0.00 -0.55 2.13 1.55 -0.17 0.00 0.00 175.17 178.13 2kl2 h PRO 106 N 7.69 0.00 0.00 4.34 0.13 -1.96 -3.49 132.00 138.71 2kl2 h PRO 106 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2kl2 h PRO 106 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2kl2 h PRO 106 CO 0.76 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.94 2kl2 n GLY 107 N -1.45 0.76 0.08 1.56 0.00 -1.26 -4.91 105.19 99.97 2kl2 n GLY 107 Ca 0.01 -2.20 0.08 0.00 0.00 0.00 0.00 46.02 43.91 2kl2 n GLY 107 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kl2 n ASP 108 N 0.95 0.25 -4.10 1.61 2.03 -1.26 -4.63 116.55 111.39 2kl2 n ASP 108 Ca 0.00 -1.53 -0.10 0.00 0.52 0.00 0.00 54.79 53.68 2kl2 n ASP 108 Cb 0.00 -0.02 -0.10 0.00 -0.72 0.00 0.00 41.12 40.28 2kl2 n ASP 108 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2kl2 s SER 109 N -1.51 0.81 0.09 1.67 1.04 -1.26 -1.86 113.70 112.68 2kl2 s SER 109 Ca 0.25 -0.83 0.05 0.00 0.48 0.00 0.00 55.95 55.91 2kl2 s SER 109 Cb 0.12 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 2kl2 s SER 109 CO 0.20 -0.41 -0.13 0.54 0.98 0.00 0.00 173.24 174.42 2kl2 s VAL 110 N -2.86 1.13 -0.10 5.02 0.11 -0.39 -4.86 120.40 118.46 2kl2 s VAL 110 Ca 0.02 -1.51 -0.23 0.00 -2.93 0.00 0.00 61.98 57.32 2kl2 s VAL 110 Cb 0.00 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 2kl2 s VAL 110 CO -0.04 -0.37 0.70 -1.58 -3.33 0.00 0.00 175.10 170.49 2kl2 s GLN 111 N -2.28 4.39 0.20 1.54 -0.44 -1.26 -1.47 119.66 120.33 2kl2 s GLN 111 Ca 0.03 0.86 0.00 0.00 -2.50 0.00 0.00 55.36 53.75 2kl2 s GLN 111 Cb -0.07 -3.48 -0.04 0.00 -1.64 0.00 0.00 33.01 27.78 2kl2 s GLN 111 CO 0.02 -0.03 0.08 0.00 0.50 0.00 0.00 175.29 175.86 2kl2 s PHE 113 N -3.90 3.43 0.01 0.00 0.08 -1.05 -1.89 117.98 114.66 2kl2 s PHE 113 Ca 0.33 0.36 0.01 0.00 0.12 0.00 0.00 56.93 57.74 2kl2 s PHE 113 Cb 0.07 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 40.67 2kl2 s PHE 113 CO 0.09 0.63 -0.04 0.08 -0.10 0.00 0.00 175.22 175.88 2kl2 s VAL 114 N -1.09 0.25 -0.07 -0.44 1.01 -0.70 -3.25 120.40 116.10 2kl2 s VAL 114 Ca 0.19 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 2kl2 s VAL 114 Cb -0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 2kl2 s VAL 114 CO 0.09 -0.18 1.08 -0.31 0.00 0.00 0.00 175.10 175.78 2kl2 s TYR 115 N -0.69 3.41 0.21 5.22 2.02 -1.26 -1.07 117.35 125.18 2kl2 s TYR 115 Ca -0.06 1.46 0.00 0.00 -0.37 0.00 0.00 57.07 58.10 2kl2 s TYR 115 Cb -0.05 -3.28 -0.00 0.00 -0.40 0.00 0.00 41.96 38.23 2kl2 s TYR 115 CO -0.00 -0.64 0.00 0.25 -1.57 0.00 0.00 175.55 173.59 2kl2 n THR 116 N 4.51 0.00 -3.79 -0.71 -2.24 -0.10 -4.68 114.28 107.26 2kl2 n THR 116 Ca 0.09 -0.99 -0.13 0.00 -2.27 0.00 0.00 64.05 60.76 2kl2 n THR 116 Cb 0.48 0.20 -0.12 0.00 -2.10 0.00 0.00 70.33 68.79 2kl2 n THR 116 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2kl2 s THR 117 N -1.77 -0.00 -0.99 4.28 -1.32 -0.20 -0.53 115.64 115.11 2kl2 s THR 117 Ca 0.00 0.01 0.16 0.00 -1.21 0.00 0.00 61.69 60.65 2kl2 s THR 117 Cb 0.00 -0.30 -0.11 0.00 -1.51 0.00 0.00 72.50 70.57 2kl2 s THR 117 CO 0.00 0.01 0.73 0.00 -2.21 0.00 0.00 174.62 173.15 2kl2 n ALA 118 N 3.07 3.75 0.84 11.08 0.00 -1.26 -2.09 120.51 135.90 2kl2 n ALA 118 Ca -0.14 -0.47 0.03 0.00 0.00 0.00 0.00 53.44 52.86 2kl2 n ALA 118 Cb 0.58 -0.57 0.12 0.00 0.00 0.00 0.00 19.45 19.58 2kl2 n ALA 118 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2kl2 n THR 119 N -0.95 0.59 -1.71 0.00 -2.24 -1.26 -4.98 114.28 103.72 2kl2 n THR 119 Ca 0.04 -0.38 -0.43 0.00 -2.27 0.00 0.00 64.05 61.01 2kl2 n THR 119 Cb 0.28 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.38 2kl2 n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kl2 n TYR 120 N 0.21 2.54 -2.02 4.78 4.11 -1.26 -4.97 117.16 120.55 2kl2 n TYR 120 Ca 0.09 0.33 -0.37 0.00 -0.00 0.00 0.00 57.90 57.94 2kl2 n TYR 120 Cb 0.37 -2.54 0.02 0.00 -0.00 0.00 0.00 39.34 37.19 2kl2 n TYR 120 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2kl2 s ALA 121 N 0.01 2.82 0.37 -3.48 0.00 -1.26 -4.94 121.76 115.28 2kl2 s ALA 121 Ca 0.66 1.11 0.20 0.00 0.00 0.00 0.00 51.96 53.93 2kl2 s ALA 121 Cb -0.57 -3.47 1.05 0.00 0.00 0.00 0.00 23.12 20.14 2kl2 s ALA 121 CO 0.48 -1.05 1.94 -1.00 0.00 0.00 0.00 175.76 176.13 2kl2 h PRO 122 N 1.57 0.00 -0.98 0.00 0.13 -2.03 -1.26 132.00 129.43 2kl2 h PRO 122 Ca -0.50 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 64.86 2kl2 h PRO 122 Cb 1.28 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.33 2kl2 h PRO 122 CO 0.58 0.24 0.64 1.05 -0.23 0.00 0.00 178.00 180.28 2kl2 h GLU 123 N 0.00 0.37 -0.33 0.86 9.09 -2.03 -2.00 114.58 120.54 2kl2 h GLU 123 Ca -0.00 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.39 2kl2 h GLU 123 Cb 0.51 -0.08 0.00 0.00 -1.65 0.00 0.00 28.75 27.52 2kl2 h GLU 123 CO 0.03 0.25 0.00 0.91 0.05 0.00 0.00 179.01 180.25 2kl2 n TRP 124 N -4.54 0.17 0.02 2.06 8.01 -0.48 -2.21 117.44 120.47 2kl2 n TRP 124 Ca 0.22 -0.07 -0.01 0.00 -1.31 0.00 0.00 57.50 56.33 2kl2 n TRP 124 Cb 0.80 -0.04 -0.09 0.00 -2.01 0.00 0.00 31.31 29.96 2kl2 n TRP 124 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 2kl2 n LEU 125 N -0.13 0.77 0.04 -0.99 7.99 -0.75 -4.59 117.00 119.35 2kl2 n LEU 125 Ca 0.03 0.34 0.00 0.00 -0.01 0.00 0.00 56.01 56.38 2kl2 n LEU 125 Cb 0.16 0.10 -0.07 0.00 -0.11 0.00 0.00 43.42 43.51 2kl2 n LEU 125 CO 0.03 0.18 -0.22 -0.26 -1.51 0.00 0.00 177.39 175.60 2kl2 h PHE 126 N 0.00 0.00 -2.47 -1.77 0.04 -1.62 -3.47 116.94 107.65 2kl2 h PHE 126 Ca -0.19 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.05 2kl2 h PHE 126 Cb 1.63 0.00 0.23 0.00 2.20 0.00 0.00 35.95 40.01 2kl2 h PHE 126 CO 0.00 0.57 -1.40 1.47 -0.60 0.00 0.00 178.31 178.35 2kl2 n LEU 127 N -2.92 -3.40 -4.83 1.54 -0.00 -1.24 -5.00 117.00 101.15 2kl2 n LEU 127 Ca -0.08 0.20 -0.37 0.00 -0.00 0.00 0.00 56.01 55.76 2kl2 n LEU 127 Cb 0.83 -0.92 -0.06 0.00 -0.00 0.00 0.00 43.42 43.27 2kl2 n LEU 127 CO 0.43 -4.69 0.23 -2.16 -0.00 0.00 0.00 177.39 171.20 2kl2 s PRO 128 N -2.71 4.05 0.51 1.47 0.04 -1.26 -5.08 135.00 132.01 2kl2 s PRO 128 Ca 0.47 0.57 0.06 0.00 0.04 0.00 0.00 61.00 62.14 2kl2 s PRO 128 Cb -0.17 -3.08 0.09 0.00 0.04 0.00 0.00 34.50 31.38 2kl2 s PRO 128 CO 0.75 0.57 0.70 0.66 0.04 0.00 0.00 177.00 179.72 2kl2 n TYR 129 N 1.28 -2.56 -4.33 0.56 4.01 -1.26 -4.70 117.16 110.16 2kl2 n TYR 129 Ca -0.08 -1.67 -0.20 0.00 -0.16 0.00 0.00 57.90 55.79 2kl2 n TYR 129 Cb 0.51 -0.49 -0.07 0.00 -0.31 0.00 0.00 39.34 38.99 2kl2 n TYR 129 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2kl2 n HIS 130 N -2.18 -0.40 0.00 -0.72 8.25 -1.02 -5.00 115.22 114.15 2kl2 n HIS 130 Ca 0.14 -2.46 0.00 0.00 -0.26 0.00 0.00 57.72 55.13 2kl2 n HIS 130 Cb 0.49 0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.76 2kl2 n HIS 130 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2kl2 n GLU 131 N -0.67 3.22 -3.88 -0.41 2.13 -1.26 -4.43 120.64 115.34 2kl2 n GLU 131 Ca 0.02 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.74 2kl2 n GLU 131 Cb 0.55 -0.41 -0.09 0.00 0.27 0.00 0.00 31.44 31.75 2kl2 n GLU 131 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2kl2 s SER 132 N -0.44 0.08 0.34 4.31 1.04 -1.26 -2.52 113.70 115.26 2kl2 s SER 132 Ca 0.00 -0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.02 2kl2 s SER 132 Cb 0.00 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 2kl2 s SER 132 CO 0.00 -0.48 0.60 -0.47 0.98 0.00 0.00 173.24 173.87 2kl2 s TYR 133 N -2.19 3.50 -0.29 5.02 5.04 -1.26 -5.07 117.35 122.11 2kl2 s TYR 133 Ca -0.08 0.58 -0.24 0.00 -2.44 0.00 0.00 57.07 54.88 2kl2 s TYR 133 Cb -0.03 -2.07 0.14 0.00 0.35 0.00 0.00 41.96 40.35 2kl2 s TYR 133 CO -0.02 0.07 1.12 0.34 -1.34 0.00 0.00 175.55 175.71 2kl2 s ASP 134 N -3.63 -0.37 0.38 4.32 2.15 -1.26 -4.88 116.67 113.38 2kl2 s ASP 134 Ca 0.43 0.70 0.23 0.00 0.43 0.00 0.00 52.55 54.34 2kl2 s ASP 134 Cb -0.10 0.75 0.36 0.00 -0.30 0.00 0.00 42.92 43.63 2kl2 s ASP 134 CO 0.35 -0.12 1.57 0.28 -0.17 0.00 0.00 175.17 177.07 2kl2 h SER 135 N 4.13 0.00 0.67 -0.34 0.02 -1.93 -3.28 113.55 112.82 2kl2 h SER 135 Ca -0.28 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2kl2 h SER 135 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 2kl2 h SER 135 CO 0.13 0.00 -0.51 -0.62 -1.14 0.00 0.00 176.83 174.69 2kl2 n GLU 136 N -2.94 0.11 -0.66 3.45 1.02 -1.26 -4.93 120.64 115.43 2kl2 n GLU 136 Ca 0.04 0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 56.91 2kl2 n GLU 136 Cb 0.52 -1.57 0.20 0.00 -0.02 0.00 0.00 31.44 30.57 2kl2 n GLU 136 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kl2 s GLY 137 N -3.24 1.63 0.00 0.62 0.00 -1.24 -4.90 107.32 100.20 2kl2 s GLY 137 Ca 0.09 0.31 0.19 0.00 0.00 0.00 0.00 44.72 45.32 2kl2 s GLY 137 CO 0.69 0.84 1.53 -1.55 0.00 0.00 0.00 173.10 174.61 2kl2 n PRO 138 N -4.48 0.51 -0.15 2.90 -0.04 -1.26 -4.28 135.00 128.20 2kl2 n PRO 138 Ca 0.08 0.03 0.28 0.00 -0.04 0.00 0.00 63.50 63.85 2kl2 n PRO 138 Cb 0.53 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.21 2kl2 n PRO 138 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kl2 h HIS 139 N 0.00 0.00 0.00 0.54 3.86 -1.90 -3.45 115.15 114.20 2kl2 h HIS 139 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kl2 h HIS 139 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2kl2 h HIS 139 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2kl2 n GLY 140 N -1.70 1.93 3.61 2.45 0.00 -1.26 -4.91 105.19 105.31 2kl2 n GLY 140 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2kl2 n GLY 140 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2kl2 s LEU 141 N 0.00 4.04 0.13 0.99 0.05 -1.26 -5.09 118.68 117.55 2kl2 s LEU 141 Ca 0.00 0.17 0.01 0.00 0.05 0.00 0.00 54.13 54.36 2kl2 s LEU 141 Cb 0.00 -2.28 -0.04 0.00 -2.05 0.00 0.00 46.19 41.82 2kl2 s LEU 141 CO 0.00 -0.10 -0.02 -0.13 -0.55 0.00 0.00 176.35 175.55 2kl2 s ARG 142 N 1.81 0.95 -0.02 1.48 3.00 -1.26 -4.98 118.95 119.94 2kl2 s ARG 142 Ca 0.11 -1.42 -0.30 0.00 0.00 0.00 0.00 55.73 54.12 2kl2 s ARG 142 Cb -0.16 -0.14 -0.07 0.00 0.00 0.00 0.00 34.95 34.57 2kl2 s ARG 142 CO 0.10 -0.10 1.89 -0.47 0.00 0.00 0.00 175.30 176.71 2kl2 s TYR 143 N -3.71 1.49 -0.67 -0.53 5.04 -1.25 -4.56 117.35 113.16 2kl2 s TYR 143 Ca 0.18 -0.18 0.05 0.00 -2.44 0.00 0.00 57.07 54.69 2kl2 s TYR 143 Cb 0.06 -4.13 0.21 0.00 0.35 0.00 0.00 41.96 38.46 2kl2 s TYR 143 CO -0.01 -4.91 0.64 0.09 -1.34 0.00 0.00 175.55 170.02 2kl2 n ASN 144 N 7.76 3.46 0.15 4.32 3.02 -0.73 -4.96 115.26 128.29 2kl2 n ASN 144 Ca 0.20 -3.34 -0.13 0.00 -0.03 0.00 0.00 54.58 51.28 2kl2 n ASN 144 Cb 0.42 -0.71 -0.08 0.00 -0.61 0.00 0.00 39.78 38.80 2kl2 n ASN 144 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2kl2 h PRO 145 N 4.72 -0.40 0.00 3.52 0.13 -1.91 -3.44 132.00 134.62 2kl2 h PRO 145 Ca 0.18 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 2kl2 h PRO 145 Cb 0.70 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2kl2 h PRO 145 CO 0.79 -0.08 -0.02 -2.13 -0.23 0.00 0.00 178.00 176.33 2kl2 n ARG 146 N -5.12 0.00 0.00 0.86 3.00 -1.26 -4.95 116.66 109.19 2kl2 n ARG 146 Ca -0.09 -0.07 0.12 0.00 -0.00 0.00 0.00 57.85 57.81 2kl2 n ARG 146 Cb 0.27 -0.05 0.67 0.00 0.00 0.00 0.00 32.46 33.35 2kl2 n ARG 146 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2kl2 n GLU 147 N 0.00 0.53 0.00 -0.14 -0.00 -1.26 -3.93 120.64 115.83 2kl2 n GLU 147 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.16 57.19 2kl2 n GLU 147 Cb 0.51 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.45 2kl2 n GLU 147 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2kl2 n ASN 148 N -1.17 0.39 0.00 -1.84 0.23 -1.26 -5.19 115.26 106.41 2kl2 n ASN 148 Ca 0.15 -0.04 0.00 0.00 -0.53 0.00 0.00 54.58 54.16 2kl2 n ASN 148 Cb 0.15 0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 2kl2 n ASN 148 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87