#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl1 n ASN 2 N 0.00 -0.07 -3.51 6.12 6.94 -1.26 -5.11 115.26 118.37 2kl1 n ASN 2 Ca 0.00 -1.41 -0.13 0.00 -0.02 0.00 0.00 54.58 53.02 2kl1 n ASN 2 Cb 0.00 -0.93 -0.04 0.00 -2.36 0.00 0.00 39.78 36.45 2kl1 n ASN 2 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 2kl1 s GLU 3 N -5.63 0.95 0.12 -3.83 -1.05 -1.26 -5.15 118.70 102.85 2kl1 s GLU 3 Ca 0.69 -0.04 0.00 0.00 -0.15 0.00 0.00 54.97 55.47 2kl1 s GLU 3 Cb -0.02 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 2kl1 s GLU 3 CO 0.48 -0.35 0.00 0.00 0.95 0.00 0.00 175.26 176.34 2kl1 n ALA 4 N 0.36 -0.78 -3.66 -0.84 0.00 -1.26 -5.12 120.51 109.21 2kl1 n ALA 4 Ca -0.14 0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.48 2kl1 n ALA 4 Cb 0.60 -0.49 0.02 0.00 0.00 0.00 0.00 19.45 19.57 2kl1 n ALA 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2kl1 n LYS 5 N -2.13 0.63 0.00 0.00 -0.00 -1.26 -5.17 118.16 110.23 2kl1 n LYS 5 Ca -0.01 -1.34 0.00 0.00 -0.00 0.00 0.00 58.31 56.96 2kl1 n LYS 5 Cb 0.12 1.75 0.00 0.00 -0.00 0.00 0.00 35.03 36.90 2kl1 n LYS 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kl1 n GLY 6 N -0.50 1.09 3.28 2.58 0.00 -1.26 -4.65 105.19 105.72 2kl1 n GLY 6 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 2kl1 n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kl1 s VAL 7 N 2.09 1.45 -0.06 1.61 1.01 -1.25 -4.77 120.40 120.49 2kl1 s VAL 7 Ca 0.00 -1.91 0.05 0.00 0.00 0.00 0.00 61.98 60.12 2kl1 s VAL 7 Cb 0.00 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.64 2kl1 s VAL 7 CO 0.00 -0.50 -0.21 -0.31 0.00 0.00 0.00 175.10 174.09 2kl1 s TYR 8 N -2.50 2.09 -0.17 5.22 2.02 -1.26 -1.35 117.35 121.39 2kl1 s TYR 8 Ca 0.14 -0.68 -0.29 0.00 -0.37 0.00 0.00 57.07 55.87 2kl1 s TYR 8 Cb -0.03 -1.40 -0.01 0.00 -0.40 0.00 0.00 41.96 40.12 2kl1 s TYR 8 CO 0.04 -0.24 1.17 0.08 -1.57 0.00 0.00 175.55 175.03 2kl1 s VAL 9 N 0.09 4.43 -0.01 0.71 1.01 -0.90 -4.97 120.40 120.75 2kl1 s VAL 9 Ca -0.08 1.73 -0.01 0.00 0.00 0.00 0.00 61.98 63.62 2kl1 s VAL 9 Cb -0.14 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.12 2kl1 s VAL 9 CO 0.04 -0.13 0.23 0.24 0.00 0.00 0.00 175.10 175.49 2kl1 h MET 10 N 7.84 -0.03 -5.29 2.72 0.00 -1.96 -3.17 114.93 115.04 2kl1 h MET 10 Ca -0.25 0.00 -0.44 0.00 0.00 0.00 0.00 59.70 59.01 2kl1 h MET 10 Cb 1.10 0.01 -0.14 0.00 0.00 0.00 0.00 31.60 32.56 2kl1 h MET 10 CO 0.96 -0.02 -0.66 -1.54 0.00 0.00 0.00 176.91 175.65 2kl1 s SER 11 N -2.99 2.30 -0.14 1.22 1.04 -1.26 -4.70 113.70 109.17 2kl1 s SER 11 Ca -0.00 -1.21 0.01 0.00 0.48 0.00 0.00 55.95 55.23 2kl1 s SER 11 Cb 0.00 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.06 2kl1 s SER 11 CO 0.01 -0.43 -0.17 -0.69 0.98 0.00 0.00 173.24 172.94 2kl1 s VAL 12 N -3.22 1.71 0.34 5.02 1.01 -1.26 -4.68 120.40 119.32 2kl1 s VAL 12 Ca 0.29 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.43 2kl1 s VAL 12 Cb 0.05 -1.56 -0.07 0.00 0.00 0.00 0.00 36.38 34.80 2kl1 s VAL 12 CO 0.10 0.48 0.69 -0.76 0.00 0.00 0.00 175.10 175.62 2kl1 s LEU 13 N 1.23 3.96 0.59 3.92 1.02 -1.26 -5.06 118.68 123.07 2kl1 s LEU 13 Ca 0.00 1.05 -0.17 0.00 0.02 0.00 0.00 54.13 55.03 2kl1 s LEU 13 Cb -0.14 -3.89 -0.03 0.00 0.02 0.00 0.00 46.19 42.15 2kl1 s LEU 13 CO -0.07 -0.28 1.11 -2.16 0.02 0.00 0.00 176.35 174.96 2kl1 s PRO 14 N -3.50 3.16 -1.44 1.29 0.04 -1.26 -3.76 135.00 129.53 2kl1 s PRO 14 Ca 0.50 1.45 -0.07 0.00 0.04 0.00 0.00 61.00 62.92 2kl1 s PRO 14 Cb -0.10 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.49 2kl1 s PRO 14 CO 0.27 -0.98 0.80 -1.71 0.04 0.00 0.00 177.00 175.42 2kl1 n ASN 15 N -1.82 -2.77 -4.40 6.66 2.85 -1.26 -4.99 115.26 109.53 2kl1 n ASN 15 Ca 0.11 -0.83 -0.26 0.00 -0.11 0.00 0.00 54.58 53.48 2kl1 n ASN 15 Cb 0.52 -3.80 -0.12 0.00 1.24 0.00 0.00 39.78 37.62 2kl1 n ASN 15 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2kl1 s MET 16 N -6.38 1.45 0.60 1.20 -1.94 -1.25 -5.03 119.30 107.96 2kl1 s MET 16 Ca 0.33 -1.49 0.40 0.00 -1.71 0.00 0.00 55.69 53.23 2kl1 s MET 16 Cb -0.17 -1.73 2.09 0.00 2.01 0.00 0.00 34.83 37.04 2kl1 s MET 16 CO 0.84 0.37 2.22 -1.00 -0.01 0.00 0.00 175.02 177.44 2kl1 h PRO 17 N 3.25 0.00 0.00 2.03 0.13 -1.92 -2.16 132.00 133.34 2kl1 h PRO 17 Ca -0.46 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 2kl1 h PRO 17 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2kl1 h PRO 17 CO 0.48 0.00 -1.25 0.00 -0.23 0.00 0.00 178.00 177.00 2kl1 h ALA 18 N 2.01 0.61 -2.81 -0.56 0.00 -1.93 -3.45 119.26 113.14 2kl1 h ALA 18 Ca 0.00 -0.58 -0.51 0.00 0.00 0.00 0.00 54.91 53.82 2kl1 h ALA 18 Cb 0.10 0.18 0.05 0.00 0.00 0.00 0.00 17.79 18.12 2kl1 h ALA 18 CO 0.00 0.63 0.55 0.00 0.00 0.00 0.00 179.25 180.43 2kl1 s ALA 19 N -3.06 3.36 0.00 0.00 0.00 -0.82 0.20 121.76 121.45 2kl1 s ALA 19 Ca -0.02 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.00 2kl1 s ALA 19 Cb 0.09 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2kl1 s ALA 19 CO 0.80 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 176.51 2kl1 n GLY 20 N 0.86 3.04 0.01 0.00 0.00 -1.26 -4.60 105.19 103.25 2kl1 n GLY 20 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 2kl1 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kl1 n ARG 21 N -1.45 2.17 -5.20 1.61 1.74 -1.11 -5.03 116.66 109.39 2kl1 n ARG 21 Ca 0.00 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 2kl1 n ARG 21 Cb 0.00 -1.07 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 2kl1 n ARG 21 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2kl1 s LEU 22 N -4.60 2.22 0.10 0.55 1.98 0.55 -4.96 118.68 114.52 2kl1 s LEU 22 Ca -0.03 -0.40 0.05 0.00 -2.89 0.00 0.00 54.13 50.86 2kl1 s LEU 22 Cb 0.01 -1.39 -0.03 0.00 0.66 0.00 0.00 46.19 45.43 2kl1 s LEU 22 CO 0.10 0.32 -0.14 -1.61 -1.89 0.00 0.00 176.35 173.13 2kl1 s GLU 23 N -0.62 0.92 0.36 1.98 2.02 -1.26 -4.37 118.70 117.74 2kl1 s GLU 23 Ca 0.10 -1.11 -0.28 0.00 0.02 0.00 0.00 54.97 53.70 2kl1 s GLU 23 Cb -0.10 -0.85 -0.12 0.00 0.10 0.00 0.00 34.13 33.16 2kl1 s GLU 23 CO -0.00 0.17 1.41 0.00 0.02 0.00 0.00 175.26 176.85 2kl1 n ALA 24 N 0.86 1.93 0.00 5.21 0.00 -1.26 -2.13 120.51 125.12 2kl1 n ALA 24 Ca -0.18 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2kl1 n ALA 24 Cb 0.56 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.66 2kl1 n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl1 n GLY 25 N 0.61 2.51 3.77 0.00 0.00 -1.20 -5.06 105.19 105.82 2kl1 n GLY 25 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2kl1 n GLY 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kl1 s ASP 26 N 0.35 6.20 0.26 1.61 1.01 -0.90 -4.81 116.67 120.39 2kl1 s ASP 26 Ca 0.00 2.23 0.10 0.00 0.71 0.00 0.00 52.55 55.59 2kl1 s ASP 26 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 2kl1 s ASP 26 CO 0.00 -0.89 -0.05 0.00 0.21 0.00 0.00 175.17 174.44 2kl1 s ARG 27 N -2.78 2.15 -0.29 8.23 1.70 -1.25 -2.13 118.95 124.58 2kl1 s ARG 27 Ca 0.64 -1.48 -0.14 0.00 -0.47 0.00 0.00 55.73 54.28 2kl1 s ARG 27 Cb -0.26 -2.08 -0.03 0.00 -0.57 0.00 0.00 34.95 32.00 2kl1 s ARG 27 CO 0.32 0.36 0.31 0.42 -1.08 0.00 0.00 175.30 175.63 2kl1 s ILE 28 N -2.33 5.22 -0.51 4.99 -1.09 -0.46 -2.49 121.20 124.53 2kl1 s ILE 28 Ca 0.31 0.29 0.23 0.00 -2.23 0.00 0.00 60.65 59.25 2kl1 s ILE 28 Cb -0.06 -3.67 -0.10 0.00 -1.58 0.00 0.00 42.46 37.05 2kl1 s ILE 28 CO 0.19 0.12 1.02 0.00 -1.23 0.00 0.00 174.94 175.04 2kl1 n ALA 29 N 5.25 3.16 0.00 9.38 0.00 -0.78 -3.75 120.51 133.77 2kl1 n ALA 29 Ca -0.10 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2kl1 n ALA 29 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 2kl1 n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kl1 n ALA 30 N -1.92 0.00 -3.72 0.00 0.00 -1.20 -4.18 120.51 109.49 2kl1 n ALA 30 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.28 2kl1 n ALA 30 Cb 0.47 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.75 2kl1 n ALA 30 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kl1 s ILE 31 N -2.00 0.12 -0.64 0.00 1.01 0.71 -0.61 121.20 119.78 2kl1 s ILE 31 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.78 2kl1 s ILE 31 Cb 0.00 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.24 2kl1 s ILE 31 CO 0.00 0.14 0.00 -0.67 0.00 0.00 0.00 174.94 174.41 2kl1 n ASP 32 N 4.23 -3.11 0.00 3.58 2.03 0.15 0.10 116.55 123.53 2kl1 n ASP 32 Ca -0.25 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2kl1 n ASP 32 Cb 0.50 -2.52 0.00 0.00 -0.72 0.00 0.00 41.12 38.38 2kl1 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kl1 n GLY 33 N 0.14 0.47 3.78 0.27 0.00 -1.26 -4.99 105.19 103.59 2kl1 n GLY 33 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 2kl1 n GLY 33 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kl1 s GLN 34 N -0.76 4.09 0.13 1.61 -2.07 0.28 -5.07 119.66 117.88 2kl1 s GLN 34 Ca 0.00 0.28 -0.30 0.00 -1.82 0.00 0.00 55.36 53.52 2kl1 s GLN 34 Cb 0.00 -3.34 -0.06 0.00 -1.09 0.00 0.00 33.01 28.52 2kl1 s GLN 34 CO 0.00 0.42 1.02 -1.25 -1.32 0.00 0.00 175.29 174.17 2kl1 s PRO 35 N -0.17 4.65 -0.31 9.60 0.04 -1.26 -0.21 135.00 147.34 2kl1 s PRO 35 Ca 0.21 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 2kl1 s PRO 35 Cb -0.15 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.04 2kl1 s PRO 35 CO 0.09 0.14 0.18 0.42 0.04 0.00 0.00 177.00 177.87 2kl1 s ILE 36 N -0.03 4.84 -0.07 0.56 -1.09 -1.26 -4.92 121.20 119.24 2kl1 s ILE 36 Ca 0.48 -0.30 0.09 0.00 -2.23 0.00 0.00 60.65 58.70 2kl1 s ILE 36 Cb -0.26 -3.45 -0.13 0.00 -1.58 0.00 0.00 42.46 37.05 2kl1 s ILE 36 CO 0.32 0.08 0.09 -3.20 -1.23 0.00 0.00 174.94 170.99 2kl1 n ASN 37 N 5.02 2.72 -4.21 3.58 2.85 -1.26 -4.15 115.26 119.81 2kl1 n ASN 37 Ca -0.14 0.00 -0.12 0.00 -0.11 0.00 0.00 54.58 54.21 2kl1 n ASN 37 Cb 0.50 0.96 -0.10 0.00 1.24 0.00 0.00 39.78 42.37 2kl1 n ASN 37 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2kl1 s THR 38 N -2.37 0.42 0.31 -0.44 -4.23 -1.26 -4.79 115.64 103.28 2kl1 s THR 38 Ca -0.04 -1.95 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 2kl1 s THR 38 Cb 0.04 -2.14 0.09 0.00 1.34 0.00 0.00 72.50 71.83 2kl1 s THR 38 CO 0.39 -0.42 1.78 0.77 -0.54 0.00 0.00 174.62 176.60 2kl1 h SER 39 N 2.74 0.38 -0.84 3.99 4.64 -1.97 -2.68 113.55 119.81 2kl1 h SER 39 Ca -0.36 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 2kl1 h SER 39 Cb 1.21 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.15 2kl1 h SER 39 CO 0.61 0.62 0.47 -0.33 -0.87 0.00 0.00 176.83 177.33 2kl1 h GLU 40 N 0.35 1.17 -0.99 4.77 4.39 -2.01 -2.05 114.58 120.21 2kl1 h GLU 40 Ca 0.06 -0.13 0.19 0.00 0.34 0.00 0.00 59.36 59.82 2kl1 h GLU 40 Cb 0.58 -0.23 -0.10 0.00 -0.10 0.00 0.00 28.75 28.90 2kl1 h GLU 40 CO 0.04 0.85 0.61 1.96 -1.16 0.00 0.00 179.01 181.31 2kl1 h GLN 41 N 1.18 0.69 -0.39 2.33 1.08 -1.89 0.38 115.11 118.49 2kl1 h GLN 41 Ca 0.30 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.42 2kl1 h GLN 41 Cb 0.01 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.26 2kl1 h GLN 41 CO -0.05 0.46 0.11 0.82 -0.95 0.00 0.00 178.83 179.21 2kl1 h ILE 42 N 0.72 1.18 -0.47 2.54 1.08 -1.45 -2.73 117.51 118.37 2kl1 h ILE 42 Ca 0.56 -0.61 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 2kl1 h ILE 42 Cb 0.94 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 35.43 2kl1 h ILE 42 CO -0.34 0.22 0.21 0.58 -0.69 0.00 0.00 178.15 178.13 2kl1 h VAL 43 N 0.57 1.19 -0.68 1.67 2.07 -0.23 -2.07 116.25 118.78 2kl1 h VAL 43 Ca 0.13 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.13 2kl1 h VAL 43 Cb 0.20 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2kl1 h VAL 43 CO -0.01 0.21 0.42 0.77 0.02 0.00 0.00 177.57 178.99 2kl1 h SER 44 N 0.61 0.68 0.62 0.57 4.64 -1.19 -0.99 113.55 118.49 2kl1 h SER 44 Ca 0.16 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 2kl1 h SER 44 Cb 0.14 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2kl1 h SER 44 CO -0.02 0.46 -0.38 0.22 -0.87 0.00 0.00 176.83 176.24 2kl1 h TYR 45 N 0.81 -1.02 -0.99 4.77 3.20 -1.32 -1.58 116.97 120.84 2kl1 h TYR 45 Ca 0.28 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.30 2kl1 h TYR 45 Cb 0.05 0.36 -0.10 0.00 1.54 0.00 0.00 36.73 38.58 2kl1 h TYR 45 CO -0.05 -0.58 0.60 0.28 -1.64 0.00 0.00 178.16 176.77 2kl1 h VAL 46 N -0.95 0.79 -0.74 1.81 2.07 -1.10 0.17 116.25 118.30 2kl1 h VAL 46 Ca -0.08 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2kl1 h VAL 46 Cb 0.77 -0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 2kl1 h VAL 46 CO 0.08 0.15 0.47 0.03 0.02 0.00 0.00 177.57 178.32 2kl1 h ARG 47 N 0.84 0.99 -0.18 1.57 2.47 -0.79 -2.41 114.38 116.86 2kl1 h ARG 47 Ca 0.54 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 59.18 2kl1 h ARG 47 Cb 0.72 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 2kl1 h ARG 47 CO -0.34 0.67 0.10 1.49 0.56 0.00 0.00 179.97 182.46 2kl1 h GLU 48 N 1.01 0.25 -7.20 0.04 4.57 0.32 -3.44 114.58 110.13 2kl1 h GLU 48 Ca 0.27 -0.03 -0.46 0.00 -1.18 0.00 0.00 59.36 57.96 2kl1 h GLU 48 Cb -0.08 -0.05 0.09 0.00 -0.16 0.00 0.00 28.75 28.55 2kl1 h GLU 48 CO -0.05 0.24 0.15 0.15 -1.18 0.00 0.00 179.01 178.31 2kl1 s LYS 49 N -5.90 1.78 -0.23 1.92 -0.14 -0.91 -5.12 119.74 111.15 2kl1 s LYS 49 Ca -0.13 -0.80 -0.10 0.00 -1.36 0.00 0.00 55.97 53.57 2kl1 s LYS 49 Cb 0.08 -2.26 0.09 0.00 -1.68 0.00 0.00 37.83 34.05 2kl1 s LYS 49 CO 0.69 -1.42 0.53 1.14 -0.76 0.00 0.00 175.35 175.54 2kl1 s GLN 50 N -5.20 0.49 0.00 1.68 -2.07 -1.26 -4.86 119.66 108.44 2kl1 s GLN 50 Ca 0.65 1.09 0.00 0.00 -1.82 0.00 0.00 55.36 55.28 2kl1 s GLN 50 Cb -0.07 0.29 0.00 0.00 -1.09 0.00 0.00 33.01 32.14 2kl1 s GLN 50 CO 0.45 -0.19 0.00 0.00 -1.32 0.00 0.00 175.29 174.23 2kl1 n ALA 51 N 4.82 -0.03 0.00 2.60 0.00 -1.26 -2.96 120.51 123.68 2kl1 n ALA 51 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kl1 n ALA 51 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2kl1 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl1 n GLY 52 N 0.00 0.38 3.95 0.00 0.00 -0.65 -5.00 105.19 103.87 2kl1 n GLY 52 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2kl1 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kl1 s ASP 53 N -2.16 3.63 -0.12 1.61 2.15 -1.15 -4.91 116.67 115.71 2kl1 s ASP 53 Ca 0.00 0.10 -0.05 0.00 0.43 0.00 0.00 52.55 53.04 2kl1 s ASP 53 Cb 0.00 -0.30 0.06 0.00 -0.30 0.00 0.00 42.92 42.38 2kl1 s ASP 53 CO 0.00 -2.38 0.25 -0.13 -0.17 0.00 0.00 175.17 172.74 2kl1 s ARG 54 N -5.62 0.16 -0.05 4.34 0.52 -1.26 -2.80 118.95 114.25 2kl1 s ARG 54 Ca 0.70 0.67 0.02 0.00 -0.52 0.00 0.00 55.73 56.60 2kl1 s ARG 54 Cb -0.05 -0.08 0.01 0.00 0.52 0.00 0.00 34.95 35.36 2kl1 s ARG 54 CO 0.50 -0.24 -0.10 0.14 0.02 0.00 0.00 175.30 175.62 2kl1 s VAL 55 N 2.01 0.90 -0.24 3.52 -7.23 -0.43 -5.03 120.40 113.90 2kl1 s VAL 55 Ca -0.02 -0.37 -0.29 0.00 -1.81 0.00 0.00 61.98 59.49 2kl1 s VAL 55 Cb -0.11 -0.83 -0.01 0.00 0.56 0.00 0.00 36.38 35.99 2kl1 s VAL 55 CO -0.08 0.29 1.31 -0.13 -0.31 0.00 0.00 175.10 176.18 2kl1 s ARG 56 N 0.55 4.03 -0.14 4.82 3.00 -1.26 -2.72 118.95 127.22 2kl1 s ARG 56 Ca -0.10 1.45 -0.06 0.00 0.00 0.00 0.00 55.73 57.02 2kl1 s ARG 56 Cb -0.13 -3.85 -0.04 0.00 0.00 0.00 0.00 34.95 30.93 2kl1 s ARG 56 CO 0.02 -0.97 0.06 0.08 0.00 0.00 0.00 175.30 174.49 2kl1 s VAL 57 N 4.10 4.84 -0.16 3.52 1.01 0.02 0.33 120.40 134.06 2kl1 s VAL 57 Ca 0.57 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.44 2kl1 s VAL 57 Cb -0.19 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 2kl1 s VAL 57 CO 0.20 0.54 0.10 -0.89 0.00 0.00 0.00 175.10 175.05 2kl1 s THR 58 N -0.29 5.14 -0.00 3.92 2.01 0.22 0.16 115.64 126.79 2kl1 s THR 58 Ca 0.08 0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.07 2kl1 s THR 58 Cb -0.12 -3.29 0.01 0.00 0.01 0.00 0.00 72.50 69.11 2kl1 s THR 58 CO 0.02 0.51 0.20 0.72 -0.69 0.00 0.00 174.62 175.37 2kl1 s PHE 59 N -0.10 -0.04 -0.11 4.92 -0.71 -0.69 -1.86 117.98 119.39 2kl1 s PHE 59 Ca 0.09 0.00 -0.02 0.00 -1.04 0.00 0.00 56.93 55.96 2kl1 s PHE 59 Cb -0.12 0.00 -0.03 0.00 -1.21 0.00 0.00 43.02 41.67 2kl1 s PHE 59 CO 0.01 -0.33 -0.03 0.42 -1.34 0.00 0.00 175.22 173.94 2kl1 s ILE 60 N -1.41 3.97 -0.05 -4.49 1.09 -1.04 -1.47 121.20 117.80 2kl1 s ILE 60 Ca -0.14 -0.36 -0.01 0.00 -1.10 0.00 0.00 60.65 59.04 2kl1 s ILE 60 Cb -0.07 -2.69 0.03 0.00 -1.06 0.00 0.00 42.46 38.67 2kl1 s ILE 60 CO 0.02 0.55 0.03 -0.60 -0.10 0.00 0.00 174.94 174.84 2kl1 s ARG 61 N -0.28 0.23 -1.53 2.79 3.52 -0.76 -3.81 118.95 119.11 2kl1 s ARG 61 Ca 0.05 0.24 -0.14 0.00 -0.13 0.00 0.00 55.73 55.75 2kl1 s ARG 61 Cb -0.13 -0.68 0.09 0.00 -1.56 0.00 0.00 34.95 32.67 2kl1 s ARG 61 CO 0.02 -0.30 0.97 -0.25 -0.81 0.00 0.00 175.30 174.94 2kl1 n ASP 62 N 5.09 -4.86 -0.01 -2.12 8.00 -1.26 0.26 116.55 121.65 2kl1 n ASP 62 Ca -0.08 -0.76 -0.00 0.00 0.71 0.00 0.00 54.79 54.66 2kl1 n ASP 62 Cb 0.50 -3.88 -0.00 0.00 -0.02 0.00 0.00 41.12 37.72 2kl1 n ASP 62 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kl1 n ARG 63 N -4.67 -1.02 -3.74 -1.24 5.12 -1.26 -4.97 116.66 104.89 2kl1 n ARG 63 Ca 0.04 0.26 -0.38 0.00 -1.93 0.00 0.00 57.85 55.85 2kl1 n ARG 63 Cb 0.52 -4.03 -0.12 0.00 -1.16 0.00 0.00 32.46 27.68 2kl1 n ARG 63 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2kl1 s LYS 64 N -1.04 2.46 -0.01 5.56 1.02 0.14 -5.08 119.74 122.79 2kl1 s LYS 64 Ca 0.00 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 54.29 2kl1 s LYS 64 Cb 0.00 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.74 2kl1 s LYS 64 CO 0.00 -0.82 1.15 1.14 -0.92 0.00 0.00 175.35 175.90 2kl1 s GLN 65 N 1.33 4.42 -0.01 1.68 1.03 -1.26 -1.83 119.66 125.02 2kl1 s GLN 65 Ca 0.01 1.65 -0.03 0.00 0.04 0.00 0.00 55.36 57.03 2kl1 s GLN 65 Cb -0.21 -3.47 -0.00 0.00 0.03 0.00 0.00 33.01 29.36 2kl1 s GLN 65 CO 0.01 -0.31 0.06 -1.01 -2.54 0.00 0.00 175.29 171.50 2kl1 s HIS 66 N 1.60 0.03 0.06 9.60 0.09 -0.54 -5.00 115.29 121.12 2kl1 s HIS 66 Ca 0.56 -0.06 -0.17 0.00 -0.00 0.00 0.00 55.06 55.39 2kl1 s HIS 66 Cb -0.25 -0.04 -0.06 0.00 -0.00 0.00 0.00 32.58 32.22 2kl1 s HIS 66 CO 0.25 -0.13 0.50 -1.21 -0.00 0.00 0.00 174.74 174.16 2kl1 s GLU 67 N -0.64 4.06 -0.14 1.40 2.02 -1.26 -1.70 118.70 122.43 2kl1 s GLU 67 Ca -0.07 0.57 0.01 0.00 0.02 0.00 0.00 54.97 55.50 2kl1 s GLU 67 Cb -0.04 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 31.00 2kl1 s GLU 67 CO 0.00 0.64 -0.18 0.00 0.02 0.00 0.00 175.26 175.74 2kl1 s ALA 68 N -1.15 2.40 -0.67 5.21 0.00 0.41 -4.93 121.76 123.03 2kl1 s ALA 68 Ca 0.28 -1.05 -0.28 0.00 0.00 0.00 0.00 51.96 50.92 2kl1 s ALA 68 Cb -0.18 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 21.86 2kl1 s ALA 68 CO 0.17 0.00 1.24 -2.00 0.00 0.00 0.00 175.76 175.17 2kl1 s GLU 69 N 0.76 3.34 -0.03 0.00 2.56 -1.26 -0.80 118.70 123.27 2kl1 s GLU 69 Ca -0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.97 54.91 2kl1 s GLU 69 Cb -0.16 -4.10 -0.03 0.00 2.00 0.00 0.00 34.13 31.84 2kl1 s GLU 69 CO 0.00 -1.94 -0.06 -0.51 -0.56 0.00 0.00 175.26 172.20 2kl1 s LEU 70 N 5.39 3.22 -0.05 2.70 2.01 -1.10 -4.74 118.68 126.10 2kl1 s LEU 70 Ca 0.39 -0.08 0.05 0.00 0.01 0.00 0.00 54.13 54.50 2kl1 s LEU 70 Cb -0.08 -1.79 -0.00 0.00 0.01 0.00 0.00 46.19 44.33 2kl1 s LEU 70 CO 0.20 0.31 -0.19 0.68 1.01 0.00 0.00 176.35 178.36 2kl1 s VAL 71 N -0.94 1.63 0.08 -1.59 -7.23 -1.26 -1.31 120.40 109.78 2kl1 s VAL 71 Ca 0.16 -0.82 -0.31 0.00 -1.81 0.00 0.00 61.98 59.20 2kl1 s VAL 71 Cb -0.11 -1.40 -0.07 0.00 0.56 0.00 0.00 36.38 35.36 2kl1 s VAL 71 CO 0.05 0.46 1.30 -0.76 -0.31 0.00 0.00 175.10 175.85 2kl1 s LEU 72 N 0.07 4.36 -0.00 1.32 2.01 -1.12 -4.81 118.68 120.50 2kl1 s LEU 72 Ca -0.06 2.16 0.01 0.00 0.01 0.00 0.00 54.13 56.25 2kl1 s LEU 72 Cb -0.13 -3.58 -0.00 0.00 0.01 0.00 0.00 46.19 42.49 2kl1 s LEU 72 CO 0.03 -0.58 -0.04 -1.59 1.01 0.00 0.00 176.35 175.19 2kl1 s LYS 73 N 1.22 0.30 0.85 1.70 -2.85 -1.19 -1.63 119.74 118.14 2kl1 s LYS 73 Ca 0.62 -0.13 -0.12 0.00 -1.00 0.00 0.00 55.97 55.34 2kl1 s LYS 73 Cb -0.33 -0.29 0.10 0.00 -2.06 0.00 0.00 37.83 35.25 2kl1 s LYS 73 CO 0.29 0.08 1.11 -1.25 0.10 0.00 0.00 175.35 175.68 2kl1 s PRO 74 N -0.07 1.62 0.17 1.78 0.04 -1.26 -3.14 135.00 134.14 2kl1 s PRO 74 Ca 0.01 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 61.60 2kl1 s PRO 74 Cb -0.02 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2kl1 s PRO 74 CO -0.00 -1.92 0.35 -0.06 0.04 0.00 0.00 177.00 175.40 2kl1 s PHE 75 N -3.15 3.49 0.00 0.56 0.40 -1.05 -4.95 117.98 113.27 2kl1 s PHE 75 Ca 0.62 0.32 0.00 0.00 -0.60 0.00 0.00 56.93 57.27 2kl1 s PHE 75 Cb -0.15 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.55 2kl1 s PHE 75 CO 0.54 0.44 0.74 -0.35 0.70 0.00 0.00 175.22 177.29 2kl1 n PRO 76 N -0.41 0.00 0.00 0.24 -0.04 -1.26 -1.62 135.00 131.91 2kl1 n PRO 76 Ca -0.05 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2kl1 n PRO 76 Cb 0.53 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 2kl1 n PRO 76 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2kl1 n HIS 77 N -1.84 0.00 -2.81 0.54 1.44 -1.26 -3.46 115.22 107.83 2kl1 n HIS 77 Ca 0.00 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.63 2kl1 n HIS 77 Cb 0.00 -0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.13 2kl1 n HIS 77 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kl1 n HIS 78 N -0.48 -3.25 0.57 -1.40 8.25 -1.16 -5.00 115.22 112.76 2kl1 n HIS 78 Ca 0.00 -1.79 0.12 0.00 -0.26 0.00 0.00 57.72 55.79 2kl1 n HIS 78 Cb 0.00 1.37 0.45 0.00 1.12 0.00 0.00 29.99 32.94 2kl1 n HIS 78 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2kl1 n PRO 79 N 2.14 0.17 -0.28 -0.41 -0.04 -0.64 -2.53 135.00 133.41 2kl1 n PRO 79 Ca 0.14 0.27 0.06 0.00 -0.04 0.00 0.00 63.50 63.93 2kl1 n PRO 79 Cb 0.59 -1.75 0.20 0.00 -0.04 0.00 0.00 33.50 32.50 2kl1 n PRO 79 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kl1 n ASN 80 N -2.06 2.61 -4.14 3.54 3.02 -1.26 -4.73 115.26 112.23 2kl1 n ASN 80 Ca 0.04 -2.11 -0.18 0.00 -0.03 0.00 0.00 54.58 52.31 2kl1 n ASN 80 Cb 0.31 -0.35 -0.12 0.00 -0.61 0.00 0.00 39.78 39.00 2kl1 n ASN 80 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2kl1 s GLN 81 N -1.54 0.79 0.29 3.52 1.11 -1.12 -5.10 119.66 117.61 2kl1 s GLN 81 Ca 0.30 -0.87 0.03 0.00 0.01 0.00 0.00 55.36 54.83 2kl1 s GLN 81 Cb 0.17 -0.76 0.03 0.00 -1.01 0.00 0.00 33.01 31.44 2kl1 s GLN 81 CO 0.18 0.17 0.26 -0.89 0.01 0.00 0.00 175.29 175.02 2kl1 n ILE 82 N 1.48 0.00 0.00 1.08 2.08 -1.26 -2.77 119.36 119.97 2kl1 n ILE 82 Ca -0.21 -1.11 0.00 0.00 0.56 0.00 0.00 62.75 62.00 2kl1 n ILE 82 Cb 0.54 -0.37 0.00 0.00 -0.75 0.00 0.00 39.64 39.07 2kl1 n ILE 82 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2kl1 n GLY 83 N 1.49 4.07 0.00 7.39 0.00 -1.19 -4.84 105.19 112.11 2kl1 n GLY 83 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2kl1 n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kl1 n LEU 84 N 0.00 0.15 0.00 0.99 4.32 -1.26 -3.16 117.00 118.04 2kl1 n LEU 84 Ca 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 2kl1 n LEU 84 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2kl1 n LEU 84 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2kl1 n GLY 85 N 0.31 0.00 3.74 -0.72 0.00 -1.26 -4.56 105.19 102.71 2kl1 n GLY 85 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2kl1 n GLY 85 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kl1 s VAL 86 N 0.00 4.11 -2.00 1.61 1.01 -1.26 -4.64 120.40 119.22 2kl1 s VAL 86 Ca 0.00 -1.39 0.26 0.00 0.00 0.00 0.00 61.98 60.85 2kl1 s VAL 86 Cb 0.00 -3.14 0.73 0.00 0.00 0.00 0.00 36.38 33.97 2kl1 s VAL 86 CO 0.00 -0.21 1.89 0.41 0.00 0.00 0.00 175.10 177.19