#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 -1.23 -3.10 3.17 0.23 -1.26 -5.05 115.26 108.01 2kl1 n ASN 2 Ca 0.00 -2.05 -0.16 0.00 -0.53 0.00 0.00 54.58 51.84 2kl1 n ASN 2 Cb 0.00 0.53 0.02 0.00 -2.08 0.00 0.00 39.78 38.25 2kl1 n ASN 2 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2kl1 n GLU 3 N -1.00 -2.10 0.31 -3.83 1.02 -1.26 -4.94 120.64 108.83 2kl1 n GLU 3 Ca -0.20 1.79 -0.12 0.00 -0.02 0.00 0.00 57.16 58.62 2kl1 n GLU 3 Cb 0.80 -4.54 -0.06 0.00 -0.02 0.00 0.00 31.44 27.62 2kl1 n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kl1 h ALA 4 N 1.80 -1.14 -5.19 0.62 0.00 -2.04 -3.49 119.26 109.83 2kl1 h ALA 4 Ca -0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2kl1 h ALA 4 Cb 1.13 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2kl1 h ALA 4 CO 0.23 -1.08 -0.84 1.63 0.00 0.00 0.00 179.25 179.19 2kl1 n LYS 5 N -4.23 -3.14 0.00 0.00 5.02 -1.26 -5.07 118.16 109.48 2kl1 n LYS 5 Ca -0.10 2.58 0.00 0.00 -2.02 0.00 0.00 58.31 58.77 2kl1 n LYS 5 Cb 0.31 -5.48 0.00 0.00 -0.02 0.00 0.00 35.03 29.83 2kl1 n LYS 5 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kl1 n GLY 6 N 0.38 0.97 3.00 0.72 0.00 -1.26 -4.86 105.19 104.14 2kl1 n GLY 6 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 1.56 0.53 -0.24 1.61 1.01 -1.26 -4.85 120.40 118.76 2kl1 s VAL 7 Ca 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 2kl1 s VAL 7 Cb 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 2kl1 s VAL 7 CO 0.00 0.01 0.13 -0.31 0.00 0.00 0.00 175.10 174.92 2kl1 s TYR 8 N -0.47 3.21 1.02 5.22 1.51 -1.26 -2.20 117.35 124.38 2kl1 s TYR 8 Ca -0.01 -0.01 -0.19 0.00 -1.01 0.00 0.00 57.07 55.85 2kl1 s TYR 8 Cb -0.04 -2.26 -0.06 0.00 -0.11 0.00 0.00 41.96 39.49 2kl1 s TYR 8 CO 0.00 -0.10 -0.54 1.55 -1.11 0.00 0.00 175.55 175.35 2kl1 n VAL 9 N 4.55 0.00 0.00 0.71 3.14 -0.99 -5.00 118.33 120.74 2kl1 n VAL 9 Ca -0.15 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 2kl1 n VAL 9 Cb 0.52 -0.28 0.00 0.00 -1.06 0.00 0.00 33.84 33.02 2kl1 n VAL 9 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 2kl1 n MET 10 N 0.47 0.00 -3.91 1.45 0.00 -1.26 -4.81 117.12 109.06 2kl1 n MET 10 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.61 2kl1 n MET 10 Cb 0.62 -0.37 -0.01 0.00 0.00 0.00 0.00 33.22 33.46 2kl1 n MET 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2kl1 s SER 11 N -4.14 0.11 -0.30 7.83 0.15 -1.26 -4.95 113.70 111.14 2kl1 s SER 11 Ca 0.00 -1.06 0.02 0.00 0.70 0.00 0.00 55.95 55.61 2kl1 s SER 11 Cb 0.00 0.74 0.08 0.00 -1.71 0.00 0.00 66.02 65.13 2kl1 s SER 11 CO 0.00 -1.44 -0.02 -0.69 1.20 0.00 0.00 173.24 172.29 2kl1 s VAL 12 N -3.11 2.40 0.07 4.45 1.01 -1.26 -4.42 120.40 119.54 2kl1 s VAL 12 Ca 0.19 -1.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.18 2kl1 s VAL 12 Cb -0.04 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 2kl1 s VAL 12 CO 0.12 -0.28 0.41 -0.76 0.00 0.00 0.00 175.10 174.59 2kl1 s LEU 13 N 1.06 4.38 0.65 3.92 1.43 -1.25 -5.06 118.68 123.80 2kl1 s LEU 13 Ca -0.01 0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 53.80 2kl1 s LEU 13 Cb -0.20 -2.91 -0.01 0.00 0.03 0.00 0.00 46.19 43.10 2kl1 s LEU 13 CO -0.05 0.20 1.07 -2.16 0.23 0.00 0.00 176.35 175.64 2kl1 s PRO 14 N -1.73 3.01 -1.58 1.29 0.04 -1.26 -3.70 135.00 131.07 2kl1 s PRO 14 Ca 0.31 1.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 2kl1 s PRO 14 Cb -0.15 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.41 2kl1 s PRO 14 CO 0.17 -1.06 0.27 -1.71 0.04 0.00 0.00 177.00 174.71 2kl1 n ASN 15 N -2.50 -5.61 -4.36 6.66 5.15 -1.26 -4.99 115.26 108.34 2kl1 n ASN 15 Ca 0.09 -0.12 -0.26 0.00 -0.60 0.00 0.00 54.58 53.69 2kl1 n ASN 15 Cb 0.53 -4.62 -0.12 0.00 -0.53 0.00 0.00 39.78 35.04 2kl1 n ASN 15 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2kl1 s MET 16 N -5.37 1.34 0.43 1.20 -1.94 -1.24 -5.03 119.30 108.69 2kl1 s MET 16 Ca 0.14 -1.37 0.30 0.00 -1.71 0.00 0.00 55.69 53.05 2kl1 s MET 16 Cb -0.07 -1.64 1.47 0.00 2.01 0.00 0.00 34.83 36.61 2kl1 s MET 16 CO 0.18 0.36 1.90 -1.00 -0.01 0.00 0.00 175.02 176.45 2kl1 h PRO 17 N 3.59 0.00 0.00 2.03 0.13 -1.90 -2.10 132.00 133.74 2kl1 h PRO 17 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 2kl1 h PRO 17 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2kl1 h PRO 17 CO 0.44 0.00 -0.87 0.00 -0.23 0.00 0.00 178.00 177.34 2kl1 h ALA 18 N 2.06 0.67 -2.61 -0.56 0.00 -1.91 -3.44 119.26 113.48 2kl1 h ALA 18 Ca 0.00 -0.49 -0.53 0.00 0.00 0.00 0.00 54.91 53.90 2kl1 h ALA 18 Cb 0.17 0.07 0.04 0.00 0.00 0.00 0.00 17.79 18.07 2kl1 h ALA 18 CO 0.00 0.58 0.79 0.00 0.00 0.00 0.00 179.25 180.61 2kl1 s ALA 19 N -3.03 3.67 0.00 0.00 0.00 -0.79 0.30 121.76 121.90 2kl1 s ALA 19 Ca 0.01 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.22 2kl1 s ALA 19 Cb 0.08 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2kl1 s ALA 19 CO 0.77 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 176.25 2kl1 n GLY 20 N 3.33 3.22 0.22 0.00 0.00 -1.26 -4.74 105.19 105.95 2kl1 n GLY 20 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.76 0.42 -5.01 1.61 1.74 -0.92 -5.00 116.66 107.74 2kl1 n ARG 21 Ca 0.00 0.13 -0.32 0.00 -0.77 0.00 0.00 57.85 56.89 2kl1 n ARG 21 Cb 0.00 -1.28 -0.14 0.00 -1.02 0.00 0.00 32.46 30.02 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 -6.41 2.49 0.14 0.55 1.98 0.15 -4.89 118.68 112.69 2kl1 s LEU 22 Ca -0.25 -0.31 0.05 0.00 -2.89 0.00 0.00 54.13 50.73 2kl1 s LEU 22 Cb 0.08 -1.48 -0.04 0.00 0.66 0.00 0.00 46.19 45.40 2kl1 s LEU 22 CO 0.37 0.33 -0.10 -1.61 -1.89 0.00 0.00 176.35 173.45 2kl1 s GLU 23 N -0.75 1.04 0.21 1.98 0.41 -1.26 -4.52 118.70 115.81 2kl1 s GLU 23 Ca 0.11 -1.41 -0.30 0.00 -0.41 0.00 0.00 54.97 52.96 2kl1 s GLU 23 Cb -0.10 -0.64 -0.10 0.00 -1.78 0.00 0.00 34.13 31.51 2kl1 s GLU 23 CO 0.00 0.08 1.46 0.00 -0.49 0.00 0.00 175.26 176.32 2kl1 s ALA 24 N -3.16 3.66 0.00 5.21 0.00 -1.26 -2.48 121.76 123.72 2kl1 s ALA 24 Ca 0.15 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.42 2kl1 s ALA 24 Cb 0.02 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2kl1 s ALA 24 CO 0.01 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 175.45 2kl1 n GLY 25 N 2.71 2.50 3.78 0.00 0.00 -1.26 -5.08 105.19 107.83 2kl1 n GLY 25 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.04 7.28 0.28 1.61 1.01 -1.04 -4.87 116.67 119.90 2kl1 s ASP 26 Ca 0.00 1.87 0.08 0.00 0.71 0.00 0.00 52.55 55.21 2kl1 s ASP 26 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2kl1 s ASP 26 CO 0.00 -0.11 0.10 0.00 0.21 0.00 0.00 175.17 175.36 2kl1 s ARG 27 N -2.09 2.51 -0.35 8.23 1.70 -1.25 -2.34 118.95 125.36 2kl1 s ARG 27 Ca 0.51 -1.34 -0.15 0.00 -0.47 0.00 0.00 55.73 54.28 2kl1 s ARG 27 Cb -0.19 -2.29 -0.01 0.00 -0.57 0.00 0.00 34.95 31.88 2kl1 s ARG 27 CO 0.24 0.30 0.33 0.42 -1.08 0.00 0.00 175.30 175.52 2kl1 s ILE 28 N -2.29 5.20 -0.61 4.99 -1.09 -0.93 -2.56 121.20 123.91 2kl1 s ILE 28 Ca 0.34 -0.06 0.23 0.00 -2.23 0.00 0.00 60.65 58.93 2kl1 s ILE 28 Cb -0.06 -3.80 -0.05 0.00 -1.58 0.00 0.00 42.46 36.97 2kl1 s ILE 28 CO 0.22 -0.08 1.13 0.00 -1.23 0.00 0.00 174.94 174.98 2kl1 n ALA 29 N 5.30 3.19 0.00 9.38 0.00 -0.98 -4.01 120.51 133.40 2kl1 n ALA 29 Ca -0.10 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2kl1 n ALA 29 Cb 0.49 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.84 0.00 -3.71 0.00 0.00 -1.21 -4.24 120.51 109.51 2kl1 n ALA 30 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.27 2kl1 n ALA 30 Cb 0.44 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.72 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 0.24 -0.82 0.00 1.01 0.80 -0.27 121.20 120.16 2kl1 s ILE 31 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.76 2kl1 s ILE 31 Cb 0.00 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.11 2kl1 s ILE 31 CO 0.00 0.19 0.00 -0.90 0.00 0.00 0.00 174.94 174.23 2kl1 n ASP 32 N 4.54 -2.38 0.00 3.58 5.68 0.39 0.19 116.55 128.55 2kl1 n ASP 32 Ca -0.18 0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 2kl1 n ASP 32 Cb 0.50 -2.30 0.00 0.00 -1.14 0.00 0.00 41.12 38.18 2kl1 n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kl1 n GLY 33 N -0.31 0.20 3.69 6.12 0.00 -1.26 -5.04 105.19 108.59 2kl1 n GLY 33 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 2kl1 n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kl1 s GLN 34 N -0.96 4.32 -0.05 1.61 -1.52 0.51 -5.05 119.66 118.52 2kl1 s GLN 34 Ca 0.00 0.79 -0.30 0.00 -1.95 0.00 0.00 55.36 53.90 2kl1 s GLN 34 Cb 0.00 -3.52 -0.03 0.00 -0.22 0.00 0.00 33.01 29.24 2kl1 s GLN 34 CO 0.00 -0.12 1.10 -1.25 -0.25 0.00 0.00 175.29 174.77 2kl1 s PRO 35 N 1.45 4.42 -0.27 2.91 0.04 -1.26 -0.14 135.00 142.15 2kl1 s PRO 35 Ca 0.34 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 2kl1 s PRO 35 Cb -0.17 -3.51 -0.05 0.00 0.04 0.00 0.00 34.50 30.82 2kl1 s PRO 35 CO 0.14 -0.32 0.18 0.42 0.04 0.00 0.00 177.00 177.46 2kl1 s ILE 36 N 1.81 5.21 -0.02 0.56 -1.09 -1.26 -4.91 121.20 121.50 2kl1 s ILE 36 Ca 0.53 0.14 0.04 0.00 -2.23 0.00 0.00 60.65 59.13 2kl1 s ILE 36 Cb -0.23 -3.48 -0.06 0.00 -1.58 0.00 0.00 42.46 37.11 2kl1 s ILE 36 CO 0.22 0.27 0.10 -3.20 -1.23 0.00 0.00 174.94 171.10 2kl1 n ASN 37 N 4.99 3.77 -4.18 3.58 5.15 -1.26 -4.65 115.26 122.67 2kl1 n ASN 37 Ca -0.14 -0.04 -0.14 0.00 -0.60 0.00 0.00 54.58 53.66 2kl1 n ASN 37 Cb 0.52 1.18 -0.11 0.00 -0.53 0.00 0.00 39.78 40.84 2kl1 n ASN 37 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2kl1 s THR 38 N -2.23 0.91 0.25 -0.44 -4.23 -1.26 -4.90 115.64 103.74 2kl1 s THR 38 Ca -0.01 -1.68 0.05 0.00 -1.18 0.00 0.00 61.69 58.88 2kl1 s THR 38 Cb 0.03 -1.40 -0.03 0.00 1.34 0.00 0.00 72.50 72.44 2kl1 s THR 38 CO 0.18 -0.60 1.58 -1.28 -0.54 0.00 0.00 174.62 173.96 2kl1 h SER 39 N 3.49 0.23 0.02 3.99 0.87 -1.97 -2.94 113.55 117.24 2kl1 h SER 39 Ca -0.37 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.00 2kl1 h SER 39 Cb 1.19 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 2kl1 h SER 39 CO 0.54 0.76 -0.16 -0.33 -0.53 0.00 0.00 176.83 177.12 2kl1 h GLU 40 N 0.15 0.28 -0.14 2.24 3.07 -2.01 -2.00 114.58 116.17 2kl1 h GLU 40 Ca -0.00 -0.07 0.03 0.00 -0.50 0.00 0.00 59.36 58.82 2kl1 h GLU 40 Cb 1.07 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.94 2kl1 h GLU 40 CO 0.09 0.44 0.10 0.37 -1.40 0.00 0.00 179.01 178.61 2kl1 h GLN 41 N 0.26 0.04 0.00 2.33 5.75 -1.94 0.18 115.11 121.73 2kl1 h GLN 41 Ca 0.05 -0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.43 2kl1 h GLN 41 Cb 0.44 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 2kl1 h GLN 41 CO 0.03 0.03 -0.55 0.82 -2.65 0.00 0.00 178.83 176.50 2kl1 h ILE 42 N 0.04 1.31 -0.56 2.39 1.08 -1.47 -2.80 117.51 117.51 2kl1 h ILE 42 Ca 0.06 -1.95 -0.11 0.00 -0.39 0.00 0.00 64.86 62.47 2kl1 h ILE 42 Cb 0.21 2.08 -0.02 0.00 -3.07 0.00 0.00 36.82 36.02 2kl1 h ILE 42 CO -0.00 0.54 -0.10 0.58 -0.69 0.00 0.00 178.15 178.48 2kl1 h VAL 43 N 0.00 1.27 -0.37 1.67 2.07 -0.96 -2.13 116.25 117.79 2kl1 h VAL 43 Ca -0.01 -1.26 -0.14 0.00 0.82 0.00 0.00 66.70 66.11 2kl1 h VAL 43 Cb 1.03 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2kl1 h VAL 43 CO 0.07 0.45 -0.32 0.77 0.02 0.00 0.00 177.57 178.56 2kl1 h SER 44 N 0.93 0.93 0.39 0.57 4.64 -1.47 -2.02 113.55 117.51 2kl1 h SER 44 Ca 0.15 -0.45 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 2kl1 h SER 44 Cb 0.67 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2kl1 h SER 44 CO 0.05 1.19 -0.36 0.22 -0.87 0.00 0.00 176.83 177.06 2kl1 h TYR 45 N 0.68 -0.97 -0.65 4.77 3.20 -1.33 -1.69 116.97 120.99 2kl1 h TYR 45 Ca 0.07 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.96 2kl1 h TYR 45 Cb 0.91 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 39.52 2kl1 h TYR 45 CO 0.06 -0.51 0.43 -0.39 -1.64 0.00 0.00 178.16 176.12 2kl1 h VAL 46 N -0.76 1.14 -0.87 1.81 -1.51 -1.43 -1.99 116.25 112.65 2kl1 h VAL 46 Ca -0.03 -0.29 0.05 0.00 -1.23 0.00 0.00 66.70 65.20 2kl1 h VAL 46 Cb 0.68 0.22 -0.06 0.00 -2.13 0.00 0.00 31.29 30.00 2kl1 h VAL 46 CO -0.05 0.15 0.55 -0.09 -1.23 0.00 0.00 177.57 176.90 2kl1 h ARG 47 N 0.84 1.00 -0.69 5.19 2.43 -0.72 -1.85 114.38 120.58 2kl1 h ARG 47 Ca 0.25 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2kl1 h ARG 47 Cb -0.04 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.26 2kl1 h ARG 47 CO -0.06 0.66 0.42 0.93 -1.51 0.00 0.00 179.97 180.41 2kl1 h GLU 48 N 1.03 0.93 -6.65 0.20 4.39 -0.55 -3.43 114.58 110.50 2kl1 h GLU 48 Ca 0.37 -0.08 -0.51 0.00 0.34 0.00 0.00 59.36 59.48 2kl1 h GLU 48 Cb 0.10 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2kl1 h GLU 48 CO -0.15 0.65 -0.02 0.15 -1.16 0.00 0.00 179.01 178.48 2kl1 s LYS 49 N -6.01 3.72 0.34 2.33 -0.14 -0.70 -5.11 119.74 114.18 2kl1 s LYS 49 Ca -0.13 0.24 0.02 0.00 -1.36 0.00 0.00 55.97 54.75 2kl1 s LYS 49 Cb 0.14 -2.53 0.02 0.00 -1.68 0.00 0.00 37.83 33.78 2kl1 s LYS 49 CO 0.78 0.11 0.17 0.00 -0.76 0.00 0.00 175.35 175.64 2kl1 n GLN 50 N -1.03 1.06 -2.10 1.68 0.00 -1.26 -4.85 117.38 110.88 2kl1 n GLN 50 Ca 0.00 -2.26 -0.41 0.00 0.00 0.00 0.00 57.00 54.34 2kl1 n GLN 50 Cb 0.54 0.38 -0.02 0.00 0.00 0.00 0.00 30.24 31.14 2kl1 n GLN 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2kl1 s ALA 51 N -2.52 3.52 0.00 2.61 0.00 -1.26 -2.26 121.76 121.84 2kl1 s ALA 51 Ca 0.13 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.36 2kl1 s ALA 51 Cb -0.01 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2kl1 s ALA 51 CO 0.08 -0.66 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2kl1 n GLY 52 N 1.09 0.78 3.75 0.00 0.00 -0.51 -5.00 105.19 105.30 2kl1 n GLY 52 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.91 1.64 -0.04 1.61 2.15 -0.96 -4.86 116.67 113.30 2kl1 s ASP 53 Ca 0.00 0.34 -0.01 0.00 0.43 0.00 0.00 52.55 53.31 2kl1 s ASP 53 Cb 0.00 -0.40 0.03 0.00 -0.30 0.00 0.00 42.92 42.25 2kl1 s ASP 53 CO 0.00 -3.65 0.04 -0.60 -0.17 0.00 0.00 175.17 170.79 2kl1 s ARG 54 N -5.72 0.00 -0.04 4.34 3.52 -1.26 -3.19 118.95 116.60 2kl1 s ARG 54 Ca 0.74 0.29 0.03 0.00 -0.13 0.00 0.00 55.73 56.66 2kl1 s ARG 54 Cb -0.05 -0.47 0.00 0.00 -1.56 0.00 0.00 34.95 32.88 2kl1 s ARG 54 CO 0.55 -0.27 -0.12 0.14 -0.81 0.00 0.00 175.30 174.79 2kl1 s VAL 55 N 1.78 1.03 -0.21 7.11 -7.23 -0.56 -5.03 120.40 117.28 2kl1 s VAL 55 Ca 0.00 -0.48 -0.21 0.00 -1.81 0.00 0.00 61.98 59.48 2kl1 s VAL 55 Cb -0.12 -0.91 -0.02 0.00 0.56 0.00 0.00 36.38 35.89 2kl1 s VAL 55 CO -0.03 0.31 0.66 -0.13 -0.31 0.00 0.00 175.10 175.61 2kl1 s ARG 56 N 0.24 4.20 -0.12 4.82 3.00 -1.26 -2.15 118.95 127.68 2kl1 s ARG 56 Ca -0.05 0.67 0.01 0.00 0.00 0.00 0.00 55.73 56.36 2kl1 s ARG 56 Cb -0.11 -3.59 -0.01 0.00 0.00 0.00 0.00 34.95 31.24 2kl1 s ARG 56 CO 0.01 -0.30 -0.17 0.08 0.00 0.00 0.00 175.30 174.93 2kl1 s VAL 57 N 2.11 2.70 -0.11 3.52 1.01 0.28 0.15 120.40 130.06 2kl1 s VAL 57 Ca 0.30 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 2kl1 s VAL 57 Cb -0.16 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 2kl1 s VAL 57 CO 0.10 0.54 0.26 -0.89 0.00 0.00 0.00 175.10 175.11 2kl1 s THR 58 N 0.31 5.30 0.01 3.92 2.01 0.63 0.13 115.64 127.96 2kl1 s THR 58 Ca -0.13 0.49 -0.10 0.00 0.31 0.00 0.00 61.69 62.26 2kl1 s THR 58 Cb -0.16 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.79 2kl1 s THR 58 CO 0.07 0.52 0.20 0.72 -0.69 0.00 0.00 174.62 175.44 2kl1 s PHE 59 N -0.46 -0.02 -0.08 4.92 -0.12 -0.73 -2.31 117.98 119.18 2kl1 s PHE 59 Ca 0.17 -0.06 0.01 0.00 -0.05 0.00 0.00 56.93 57.00 2kl1 s PHE 59 Cb -0.14 -0.00 -0.02 0.00 -0.63 0.00 0.00 43.02 42.23 2kl1 s PHE 59 CO 0.06 -0.36 -0.11 0.42 -0.05 0.00 0.00 175.22 175.18 2kl1 s ILE 60 N -1.70 3.32 -0.06 -4.49 1.09 -1.06 -1.36 121.20 116.94 2kl1 s ILE 60 Ca -0.12 -0.61 -0.01 0.00 -1.10 0.00 0.00 60.65 58.81 2kl1 s ILE 60 Cb -0.05 -2.35 0.03 0.00 -1.06 0.00 0.00 42.46 39.03 2kl1 s ILE 60 CO 0.01 0.57 0.02 -0.60 -0.10 0.00 0.00 174.94 174.84 2kl1 s ARG 61 N -0.45 0.43 -1.58 2.79 3.52 -0.87 -3.78 118.95 119.00 2kl1 s ARG 61 Ca 0.06 0.17 -0.16 0.00 -0.13 0.00 0.00 55.73 55.67 2kl1 s ARG 61 Cb -0.12 -0.84 0.12 0.00 -1.56 0.00 0.00 34.95 32.55 2kl1 s ARG 61 CO 0.02 -0.30 0.84 -0.25 -0.81 0.00 0.00 175.30 174.80 2kl1 n ASP 62 N 5.13 -4.08 -0.14 -2.12 8.00 -1.26 0.94 116.55 123.03 2kl1 n ASP 62 Ca -0.07 -0.83 -0.02 0.00 0.71 0.00 0.00 54.79 54.58 2kl1 n ASP 62 Cb 0.50 -3.30 -0.01 0.00 -0.02 0.00 0.00 41.12 38.30 2kl1 n ASP 62 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2kl1 n ARG 63 N -4.44 -0.62 -3.69 -1.24 0.63 -1.26 -4.98 116.66 101.06 2kl1 n ARG 63 Ca 0.05 0.32 -0.38 0.00 -0.92 0.00 0.00 57.85 56.92 2kl1 n ARG 63 Cb 0.51 -3.90 -0.10 0.00 0.45 0.00 0.00 32.46 29.42 2kl1 n ARG 63 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2kl1 s LYS 64 N -1.17 2.19 0.03 -0.14 1.02 0.27 -5.07 119.74 116.86 2kl1 s LYS 64 Ca 0.00 -1.79 -0.30 0.00 0.02 0.00 0.00 55.97 53.90 2kl1 s LYS 64 Cb 0.00 -3.71 -0.06 0.00 -0.52 0.00 0.00 37.83 33.55 2kl1 s LYS 64 CO 0.00 -1.11 1.31 1.14 -0.92 0.00 0.00 175.35 175.77 2kl1 s GLN 65 N 1.23 4.35 -0.06 1.68 -2.07 -1.26 -2.06 119.66 121.46 2kl1 s GLN 65 Ca 0.07 1.88 -0.07 0.00 -1.82 0.00 0.00 55.36 55.43 2kl1 s GLN 65 Cb -0.24 -3.44 0.02 0.00 -1.09 0.00 0.00 33.01 28.26 2kl1 s GLN 65 CO -0.03 -0.43 0.18 -1.01 -1.32 0.00 0.00 175.29 172.68 2kl1 s HIS 66 N 1.70 -0.17 0.17 9.60 3.76 -0.47 -5.01 115.29 124.88 2kl1 s HIS 66 Ca 0.61 0.42 -0.14 0.00 -0.15 0.00 0.00 55.06 55.80 2kl1 s HIS 66 Cb -0.31 0.06 -0.07 0.00 1.11 0.00 0.00 32.58 33.37 2kl1 s HIS 66 CO 0.27 -0.12 0.56 -1.21 -0.85 0.00 0.00 174.74 173.40 2kl1 s GLU 67 N -0.08 3.95 -0.08 1.40 2.02 -1.26 -1.78 118.70 122.87 2kl1 s GLU 67 Ca -0.02 0.47 0.04 0.00 0.02 0.00 0.00 54.97 55.48 2kl1 s GLU 67 Cb -0.02 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.36 2kl1 s GLU 67 CO 0.00 0.43 -0.20 0.00 0.02 0.00 0.00 175.26 175.51 2kl1 s ALA 68 N -1.56 1.86 -0.52 5.21 0.00 0.36 -4.94 121.76 122.16 2kl1 s ALA 68 Ca 0.41 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 51.37 2kl1 s ALA 68 Cb -0.14 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.33 2kl1 s ALA 68 CO 0.20 0.25 0.71 -2.00 0.00 0.00 0.00 175.76 174.91 2kl1 s GLU 69 N 0.36 3.17 0.04 0.00 2.12 -1.26 -0.55 118.70 122.58 2kl1 s GLU 69 Ca -0.15 -0.74 0.04 0.00 0.36 0.00 0.00 54.97 54.48 2kl1 s GLU 69 Cb -0.16 -4.09 -0.04 0.00 0.26 0.00 0.00 34.13 30.10 2kl1 s GLU 69 CO 0.06 -1.30 -0.07 -0.51 -0.54 0.00 0.00 175.26 172.91 2kl1 s LEU 70 N 2.97 3.16 -0.12 2.70 1.02 -0.91 -4.66 118.68 122.83 2kl1 s LEU 70 Ca 0.19 -0.22 0.01 0.00 0.02 0.00 0.00 54.13 54.13 2kl1 s LEU 70 Cb -0.18 -1.86 -0.01 0.00 0.02 0.00 0.00 46.19 44.16 2kl1 s LEU 70 CO 0.14 0.24 -0.16 -0.69 0.02 0.00 0.00 176.35 175.89 2kl1 s VAL 71 N -1.09 2.75 0.20 -1.59 1.01 -1.26 -1.50 120.40 118.93 2kl1 s VAL 71 Ca 0.19 -0.77 -0.31 0.00 0.00 0.00 0.00 61.98 61.09 2kl1 s VAL 71 Cb -0.11 -2.13 -0.10 0.00 0.00 0.00 0.00 36.38 34.05 2kl1 s VAL 71 CO 0.10 0.54 1.45 -0.76 0.00 0.00 0.00 175.10 176.43 2kl1 s LEU 72 N 0.32 4.38 0.00 3.92 2.01 -1.19 -4.93 118.68 123.19 2kl1 s LEU 72 Ca -0.13 2.57 0.00 0.00 0.01 0.00 0.00 54.13 56.59 2kl1 s LEU 72 Cb -0.16 -3.61 -0.00 0.00 0.01 0.00 0.00 46.19 42.43 2kl1 s LEU 72 CO 0.07 -0.71 -0.01 -0.54 1.01 0.00 0.00 176.35 176.17 2kl1 s LYS 73 N 0.27 0.06 0.76 1.70 -0.14 -1.26 -1.43 119.74 119.70 2kl1 s LYS 73 Ca 0.63 -0.05 -0.11 0.00 -1.36 0.00 0.00 55.97 55.08 2kl1 s LYS 73 Cb -0.41 -0.05 0.05 0.00 -1.68 0.00 0.00 37.83 35.74 2kl1 s LYS 73 CO 0.38 0.01 1.08 -1.25 -0.76 0.00 0.00 175.35 174.81 2kl1 s PRO 74 N -0.07 2.39 0.06 -1.68 0.04 -1.26 -3.61 135.00 130.87 2kl1 s PRO 74 Ca -0.00 0.86 0.09 0.00 0.04 0.00 0.00 61.00 61.99 2kl1 s PRO 74 Cb -0.01 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 2kl1 s PRO 74 CO -0.00 -1.46 -0.26 -0.06 0.04 0.00 0.00 177.00 175.26 2kl1 s PHE 75 N -3.05 2.23 0.37 0.56 0.08 -1.25 -5.01 117.98 111.91 2kl1 s PHE 75 Ca 0.60 -0.40 0.18 0.00 0.12 0.00 0.00 56.93 57.43 2kl1 s PHE 75 Cb -0.15 -1.31 0.97 0.00 -0.57 0.00 0.00 43.02 41.97 2kl1 s PHE 75 CO 0.55 0.17 1.92 -1.00 -0.10 0.00 0.00 175.22 176.76 2kl1 h PRO 76 N 4.58 0.00 -0.16 0.24 0.13 -1.96 0.34 132.00 135.17 2kl1 h PRO 76 Ca -0.47 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 2kl1 h PRO 76 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2kl1 h PRO 76 CO 0.42 0.26 -0.36 0.45 -0.23 0.00 0.00 178.00 178.55 2kl1 h HIS 77 N 0.00 0.40 -1.54 1.56 3.86 -2.00 -3.37 115.15 114.05 2kl1 h HIS 77 Ca -0.00 -0.10 -0.43 0.00 -1.16 0.00 0.00 60.37 58.68 2kl1 h HIS 77 Cb 0.53 -0.09 -0.30 0.00 1.06 0.00 0.00 27.41 28.61 2kl1 h HIS 77 CO 0.00 0.66 -0.84 0.72 0.86 0.00 0.00 177.93 179.33 2kl1 n HIS 78 N -4.06 -1.75 0.01 2.45 8.25 -0.96 -4.99 115.22 114.18 2kl1 n HIS 78 Ca -0.01 -2.74 0.20 0.00 -0.26 0.00 0.00 57.72 54.91 2kl1 n HIS 78 Cb 0.46 0.54 0.69 0.00 1.12 0.00 0.00 29.99 32.80 2kl1 n HIS 78 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2kl1 h PRO 79 N 4.67 0.00 -0.71 -0.41 0.11 -1.12 0.12 132.00 134.66 2kl1 h PRO 79 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2kl1 h PRO 79 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 2kl1 h PRO 79 CO 0.33 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.21 2kl1 n ASN 80 N -4.35 1.41 -4.01 -2.05 3.02 -1.26 -4.71 115.26 103.31 2kl1 n ASN 80 Ca 0.09 -2.10 -0.19 0.00 -0.03 0.00 0.00 54.58 52.35 2kl1 n ASN 80 Cb 0.59 -0.40 -0.15 0.00 -0.61 0.00 0.00 39.78 39.20 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 -1.43 0.74 -0.08 3.52 -0.21 0.41 -5.15 119.66 117.47 2kl1 s GLN 81 Ca 0.08 -0.30 0.04 0.00 0.02 0.00 0.00 55.36 55.21 2kl1 s GLN 81 Cb 0.06 -0.71 -0.01 0.00 1.00 0.00 0.00 33.01 33.34 2kl1 s GLN 81 CO 0.03 0.16 -0.22 0.42 -2.12 0.00 0.00 175.29 173.56 2kl1 s ILE 82 N -0.09 2.30 -0.03 1.08 -1.09 -1.26 -3.95 121.20 118.16 2kl1 s ILE 82 Ca 0.02 -0.96 -0.02 0.00 -2.23 0.00 0.00 60.65 57.45 2kl1 s ILE 82 Cb -0.05 -1.87 0.01 0.00 -1.58 0.00 0.00 42.46 38.97 2kl1 s ILE 82 CO -0.00 0.56 0.05 0.61 -1.23 0.00 0.00 174.94 174.93 2kl1 n GLY 83 N 3.13 -2.73 0.86 6.18 0.00 -1.24 -4.60 105.19 106.79 2kl1 n GLY 83 Ca -0.18 0.36 0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 2.01 2.68 -0.37 0.99 4.77 -1.26 -4.80 117.00 121.02 2kl1 n LEU 84 Ca -0.08 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 2kl1 n LEU 84 Cb 0.12 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2kl1 n LEU 84 CO 0.07 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2kl1 n GLY 85 N 1.32 0.58 3.68 -0.72 0.00 -1.26 -4.96 105.19 103.83 2kl1 n GLY 85 Ca 0.16 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2kl1 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kl1 s VAL 86 N -1.95 4.03 -2.93 1.61 0.11 -1.26 -4.96 120.40 115.05 2kl1 s VAL 86 Ca 0.00 -0.93 0.23 0.00 -2.93 0.00 0.00 61.98 58.35 2kl1 s VAL 86 Cb 0.00 -2.90 0.19 0.00 -1.53 0.00 0.00 36.38 32.14 2kl1 s VAL 86 CO 0.00 0.16 1.24 0.41 -3.33 0.00 0.00 175.10 173.58