#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 -4.37 0.00 7.83 5.03 -1.26 -2.09 115.26 120.41 2kl1 n ASN 2 Ca 0.00 0.19 0.00 0.00 0.87 0.00 0.00 54.58 55.64 2kl1 n ASN 2 Cb 0.00 -3.26 0.00 0.00 -1.02 0.00 0.00 39.78 35.50 2kl1 n ASN 2 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2kl1 n GLU 3 N -0.58 0.00 -1.73 3.52 1.02 -1.26 -4.92 120.64 116.70 2kl1 n GLU 3 Ca -0.08 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.67 2kl1 n GLU 3 Cb 0.45 -3.17 0.03 0.00 -0.02 0.00 0.00 31.44 28.72 2kl1 n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kl1 n ALA 4 N 0.77 1.59 0.01 0.62 0.00 -0.89 -4.95 120.51 117.67 2kl1 n ALA 4 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2kl1 n ALA 4 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.12 2kl1 n ALA 4 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kl1 n LYS 5 N -0.46 0.00 0.00 0.00 4.81 -1.26 -4.98 118.16 116.28 2kl1 n LYS 5 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 2kl1 n LYS 5 Cb 0.42 -0.42 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2kl1 n LYS 5 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kl1 n GLY 6 N 2.85 1.32 2.73 3.14 0.00 -1.26 -4.88 105.19 109.09 2kl1 n GLY 6 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 4.14 0.43 0.27 1.61 1.01 -1.26 -4.90 120.40 121.69 2kl1 s VAL 7 Ca 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 2kl1 s VAL 7 Cb 0.00 -0.89 -0.12 0.00 0.00 0.00 0.00 36.38 35.37 2kl1 s VAL 7 CO 0.00 -0.13 1.59 -1.22 0.00 0.00 0.00 175.10 175.34 2kl1 n TYR 8 N 5.09 2.74 -0.89 5.22 4.01 -1.26 -3.31 117.16 128.76 2kl1 n TYR 8 Ca -0.08 0.25 -0.34 0.00 -0.16 0.00 0.00 57.90 57.56 2kl1 n TYR 8 Cb 0.48 -2.59 0.08 0.00 -0.31 0.00 0.00 39.34 37.00 2kl1 n TYR 8 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 2kl1 n VAL 9 N 2.35 0.00 -0.05 -0.72 3.14 -0.58 -4.97 118.33 117.50 2kl1 n VAL 9 Ca 0.10 -0.34 -0.06 0.00 -2.96 0.00 0.00 64.34 61.08 2kl1 n VAL 9 Cb 0.36 -0.32 -0.02 0.00 -1.06 0.00 0.00 33.84 32.80 2kl1 n VAL 9 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 2kl1 n MET 10 N 0.35 0.34 -3.70 1.45 1.56 -1.26 -4.78 117.12 111.08 2kl1 n MET 10 Ca 0.02 0.14 -0.12 0.00 -0.27 0.00 0.00 57.70 57.47 2kl1 n MET 10 Cb 0.55 -1.08 -0.07 0.00 2.15 0.00 0.00 33.22 34.77 2kl1 n MET 10 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2kl1 s SER 11 N -5.52 -0.23 -0.32 6.12 0.01 -1.26 -5.00 113.70 107.50 2kl1 s SER 11 Ca -0.19 -0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.05 2kl1 s SER 11 Cb 0.03 0.40 0.09 0.00 0.21 0.00 0.00 66.02 66.74 2kl1 s SER 11 CO 0.28 -0.63 0.03 -0.69 0.41 0.00 0.00 173.24 172.64 2kl1 s VAL 12 N -2.40 1.97 0.17 3.43 1.01 -1.26 -4.48 120.40 118.84 2kl1 s VAL 12 Ca -0.06 -2.02 -0.30 0.00 0.00 0.00 0.00 61.98 59.60 2kl1 s VAL 12 Cb -0.01 -2.40 -0.07 0.00 0.00 0.00 0.00 36.38 33.89 2kl1 s VAL 12 CO -0.02 -0.51 1.13 -0.76 0.00 0.00 0.00 175.10 174.94 2kl1 s LEU 13 N 1.08 4.47 0.55 3.92 2.01 -1.26 -4.93 118.68 124.52 2kl1 s LEU 13 Ca 0.07 2.11 0.34 0.00 0.01 0.00 0.00 54.13 56.66 2kl1 s LEU 13 Cb -0.19 -3.60 1.49 0.00 0.01 0.00 0.00 46.19 43.90 2kl1 s LEU 13 CO -0.10 -0.28 2.03 1.55 1.01 0.00 0.00 176.35 180.56 2kl1 h PRO 14 N 5.32 0.00 -0.74 1.29 0.13 -2.00 -2.94 132.00 133.06 2kl1 h PRO 14 Ca -0.44 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.25 2kl1 h PRO 14 Cb 1.21 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.09 2kl1 h PRO 14 CO 0.74 0.04 0.25 0.09 -0.23 0.00 0.00 178.00 178.89 2kl1 n ASN 15 N -3.18 4.36 -4.53 1.44 3.02 -1.26 -4.88 115.26 110.23 2kl1 n ASN 15 Ca -0.00 -3.74 -0.25 0.00 -0.03 0.00 0.00 54.58 50.56 2kl1 n ASN 15 Cb 0.28 -0.74 -0.11 0.00 -0.61 0.00 0.00 39.78 38.61 2kl1 n ASN 15 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2kl1 s MET 16 N -3.45 1.78 0.38 3.52 -1.94 -1.11 -5.04 119.30 113.44 2kl1 s MET 16 Ca 0.54 -1.92 0.28 0.00 -1.71 0.00 0.00 55.69 52.87 2kl1 s MET 16 Cb 0.45 -1.59 1.21 0.00 2.01 0.00 0.00 34.83 36.92 2kl1 s MET 16 CO 0.03 0.10 1.83 -1.35 -0.01 0.00 0.00 175.02 175.63 2kl1 h PRO 17 N 2.05 0.00 0.00 2.03 0.11 -1.89 -2.85 132.00 131.45 2kl1 h PRO 17 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2kl1 h PRO 17 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2kl1 h PRO 17 CO 0.71 0.00 -0.42 0.00 -0.21 0.00 0.00 178.00 178.07 2kl1 h ALA 18 N 2.14 0.76 -2.82 -0.75 0.00 -1.88 -3.45 119.26 113.27 2kl1 h ALA 18 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 2kl1 h ALA 18 Cb 0.35 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.20 2kl1 h ALA 18 CO 0.00 0.00 0.70 0.00 0.00 0.00 0.00 179.25 179.95 2kl1 s ALA 19 N -3.22 3.56 0.00 0.00 0.00 -1.08 0.25 121.76 121.26 2kl1 s ALA 19 Ca 0.05 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.32 2kl1 s ALA 19 Cb 0.09 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.69 2kl1 s ALA 19 CO 0.70 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 176.16 2kl1 n GLY 20 N 1.44 3.03 0.04 0.00 0.00 -1.26 -4.69 105.19 103.73 2kl1 n GLY 20 Ca 0.03 0.00 -0.04 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 -2.00 1.79 -4.35 1.61 1.74 -0.90 -5.05 116.66 109.50 2kl1 n ARG 21 Ca 0.00 0.02 -0.24 0.00 -0.77 0.00 0.00 57.85 56.86 2kl1 n ARG 21 Cb 0.00 -1.16 -0.12 0.00 -1.02 0.00 0.00 32.46 30.16 2kl1 n ARG 21 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2kl1 s LEU 22 N -4.90 2.41 0.04 0.55 1.43 0.14 -4.98 118.68 113.37 2kl1 s LEU 22 Ca -0.06 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 2kl1 s LEU 22 Cb 0.02 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.27 2kl1 s LEU 22 CO 0.23 0.03 -0.04 -1.61 0.23 0.00 0.00 176.35 175.19 2kl1 s GLU 23 N -2.61 0.49 0.37 1.70 2.02 -1.26 -4.60 118.70 114.80 2kl1 s GLU 23 Ca 0.16 -0.89 -0.28 0.00 0.02 0.00 0.00 54.97 53.97 2kl1 s GLU 23 Cb -0.07 0.04 -0.11 0.00 0.10 0.00 0.00 34.13 34.09 2kl1 s GLU 23 CO 0.07 -0.05 1.45 0.00 0.02 0.00 0.00 175.26 176.75 2kl1 n ALA 24 N 0.96 2.14 0.00 5.21 0.00 -1.26 -2.18 120.51 125.38 2kl1 n ALA 24 Ca -0.20 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2kl1 n ALA 24 Cb 0.57 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 0.59 2.70 3.77 0.00 0.00 -1.26 -5.06 105.19 105.92 2kl1 n GLY 25 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.11 6.09 0.15 1.61 1.11 -0.93 -4.70 116.67 119.89 2kl1 s ASP 26 Ca 0.00 2.46 0.06 0.00 0.18 0.00 0.00 52.55 55.25 2kl1 s ASP 26 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.33 2kl1 s ASP 26 CO 0.00 -0.99 0.03 0.00 1.18 0.00 0.00 175.17 175.40 2kl1 s ARG 27 N -2.59 2.56 -0.30 8.23 1.70 -1.25 -1.52 118.95 125.77 2kl1 s ARG 27 Ca 0.63 -0.98 -0.15 0.00 -0.47 0.00 0.00 55.73 54.76 2kl1 s ARG 27 Cb -0.33 -2.47 -0.03 0.00 -0.57 0.00 0.00 34.95 31.55 2kl1 s ARG 27 CO 0.40 0.49 0.37 0.42 -1.08 0.00 0.00 175.30 175.90 2kl1 s ILE 28 N -1.62 5.16 -0.51 4.99 -1.09 -1.21 -2.46 121.20 124.46 2kl1 s ILE 28 Ca 0.28 0.36 0.23 0.00 -2.23 0.00 0.00 60.65 59.29 2kl1 s ILE 28 Cb -0.10 -3.76 -0.02 0.00 -1.58 0.00 0.00 42.46 37.00 2kl1 s ILE 28 CO 0.20 0.04 1.14 0.00 -1.23 0.00 0.00 174.94 175.09 2kl1 n ALA 29 N 5.38 2.96 0.00 9.38 0.00 -0.82 -4.15 120.51 133.25 2kl1 n ALA 29 Ca -0.09 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2kl1 n ALA 29 Cb 0.50 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.93 0.00 -3.69 0.00 0.00 -1.18 -4.35 120.51 109.36 2kl1 n ALA 30 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 2kl1 n ALA 30 Cb 0.47 0.00 -0.17 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 0.36 -1.19 0.00 1.01 0.10 -0.09 121.20 119.39 2kl1 s ILE 31 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2kl1 s ILE 31 Cb 0.00 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 42.02 2kl1 s ILE 31 CO 0.00 0.21 0.00 -0.67 0.00 0.00 0.00 174.94 174.48 2kl1 n ASP 32 N 4.41 -3.03 0.00 3.58 2.03 0.22 0.13 116.55 123.90 2kl1 n ASP 32 Ca -0.20 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2kl1 n ASP 32 Cb 0.50 -2.88 0.00 0.00 -0.72 0.00 0.00 41.12 38.03 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 -0.25 0.29 3.68 0.27 0.00 -1.26 -5.04 105.19 102.88 2kl1 n GLY 33 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 4.23 0.16 1.61 -1.52 0.35 -5.06 119.66 118.47 2kl1 s GLN 34 Ca 0.00 0.33 -0.30 0.00 -1.95 0.00 0.00 55.36 53.44 2kl1 s GLN 34 Cb 0.00 -3.51 -0.07 0.00 -0.22 0.00 0.00 33.01 29.20 2kl1 s GLN 34 CO 0.00 -0.01 1.09 -1.25 -0.25 0.00 0.00 175.29 174.87 2kl1 s PRO 35 N 1.21 4.59 -0.31 2.91 0.04 -1.26 0.01 135.00 142.19 2kl1 s PRO 35 Ca 0.22 1.69 -0.10 0.00 0.04 0.00 0.00 61.00 62.86 2kl1 s PRO 35 Cb -0.15 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 2kl1 s PRO 35 CO 0.09 0.06 0.16 0.42 0.04 0.00 0.00 177.00 177.78 2kl1 s ILE 36 N -0.11 4.71 -0.06 0.56 -1.09 -1.26 -4.92 121.20 119.03 2kl1 s ILE 36 Ca 0.50 -0.38 0.13 0.00 -2.23 0.00 0.00 60.65 58.68 2kl1 s ILE 36 Cb -0.29 -3.40 -0.20 0.00 -1.58 0.00 0.00 42.46 37.00 2kl1 s ILE 36 CO 0.34 0.06 0.22 -3.20 -1.23 0.00 0.00 174.94 171.14 2kl1 n ASN 37 N 5.00 1.78 -4.13 3.58 5.15 -1.26 -4.30 115.26 121.08 2kl1 n ASN 37 Ca -0.14 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.71 2kl1 n ASN 37 Cb 0.49 1.38 -0.11 0.00 -0.53 0.00 0.00 39.78 41.01 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 -2.76 0.72 0.25 -0.44 -4.23 -1.26 -4.83 115.64 103.09 2kl1 s THR 38 Ca -0.06 -1.49 0.03 0.00 -1.18 0.00 0.00 61.69 59.00 2kl1 s THR 38 Cb 0.07 -1.14 0.00 0.00 1.34 0.00 0.00 72.50 72.77 2kl1 s THR 38 CO 0.57 -0.56 1.62 -1.28 -0.54 0.00 0.00 174.62 174.43 2kl1 h SER 39 N 3.80 0.38 0.14 3.99 0.87 -1.96 -2.62 113.55 118.14 2kl1 h SER 39 Ca -0.36 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.00 2kl1 h SER 39 Cb 1.19 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2kl1 h SER 39 CO 0.51 0.79 -0.11 -0.08 -0.53 0.00 0.00 176.83 177.41 2kl1 h GLU 40 N 0.28 0.00 -0.02 2.24 4.81 -2.00 -0.95 114.58 118.94 2kl1 h GLU 40 Ca 0.02 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2kl1 h GLU 40 Cb 0.93 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2kl1 h GLU 40 CO 0.08 0.11 -0.16 0.37 -0.73 0.00 0.00 179.01 178.67 2kl1 h GLN 41 N 0.00 0.03 0.00 1.92 4.15 -1.88 -1.74 115.11 117.59 2kl1 h GLN 41 Ca -0.00 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.29 2kl1 h GLN 41 Cb 0.21 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2kl1 h GLN 41 CO 0.01 0.20 -0.57 0.82 -1.93 0.00 0.00 178.83 177.35 2kl1 h ILE 42 N 0.03 1.41 -0.42 2.39 1.08 -1.26 -2.74 117.51 118.00 2kl1 h ILE 42 Ca 0.01 -1.97 -0.09 0.00 -0.39 0.00 0.00 64.86 62.41 2kl1 h ILE 42 Cb 0.31 2.07 -0.01 0.00 -3.07 0.00 0.00 36.82 36.11 2kl1 h ILE 42 CO 0.02 0.56 -0.10 0.58 -0.69 0.00 0.00 178.15 178.53 2kl1 h VAL 43 N 0.00 1.27 -0.66 1.67 2.07 -1.29 -2.35 116.25 116.96 2kl1 h VAL 43 Ca -0.01 -1.20 -0.08 0.00 0.82 0.00 0.00 66.70 66.24 2kl1 h VAL 43 Cb 1.02 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 2kl1 h VAL 43 CO 0.07 0.40 0.11 0.28 0.02 0.00 0.00 177.57 178.46 2kl1 h SER 44 N 0.64 1.04 0.60 0.57 0.02 -1.45 -2.36 113.55 112.60 2kl1 h SER 44 Ca 0.11 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 2kl1 h SER 44 Cb 0.63 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2kl1 h SER 44 CO 0.04 1.03 -0.39 0.22 -1.14 0.00 0.00 176.83 176.59 2kl1 h TYR 45 N 1.01 -1.04 -1.00 3.45 3.20 -1.31 0.26 116.97 121.53 2kl1 h TYR 45 Ca 0.20 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.17 2kl1 h TYR 45 Cb 0.43 0.37 -0.08 0.00 1.54 0.00 0.00 36.73 39.00 2kl1 h TYR 45 CO 0.03 -0.58 0.64 -0.39 -1.64 0.00 0.00 178.16 176.22 2kl1 h VAL 46 N -0.94 0.95 -0.61 1.81 -1.51 -1.42 -0.91 116.25 113.62 2kl1 h VAL 46 Ca -0.07 -0.35 -0.07 0.00 -1.23 0.00 0.00 66.70 64.97 2kl1 h VAL 46 Cb 0.77 -0.17 -0.02 0.00 -2.13 0.00 0.00 31.29 29.74 2kl1 h VAL 46 CO 0.06 0.19 0.09 -0.09 -1.23 0.00 0.00 177.57 176.59 2kl1 h ARG 47 N 1.03 1.02 -0.52 5.19 1.12 -1.03 -3.01 114.38 118.18 2kl1 h ARG 47 Ca 0.48 -0.28 0.09 0.00 -1.11 0.00 0.00 59.98 59.16 2kl1 h ARG 47 Cb 0.43 -0.12 -0.07 0.00 -0.01 0.00 0.00 29.97 30.20 2kl1 h ARG 47 CO -0.25 0.96 0.13 1.49 -3.11 0.00 0.00 179.97 179.20 2kl1 h GLU 48 N 0.92 0.27 0.00 0.20 4.57 0.94 -3.42 114.58 118.06 2kl1 h GLU 48 Ca 0.18 -0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.19 2kl1 h GLU 48 Cb 0.44 -0.06 0.06 0.00 -0.16 0.00 0.00 28.75 29.03 2kl1 h GLU 48 CO 0.01 0.18 0.14 1.63 -1.18 0.00 0.00 179.01 179.79 2kl1 n LYS 49 N -5.08 -0.36 -4.41 1.92 4.76 -1.03 -5.11 118.16 108.85 2kl1 n LYS 49 Ca 0.06 -0.75 -0.20 0.00 -2.87 0.00 0.00 58.31 54.55 2kl1 n LYS 49 Cb 0.25 -0.45 -0.10 0.00 -1.84 0.00 0.00 35.03 32.88 2kl1 n LYS 49 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2kl1 s GLN 50 N -3.94 1.61 0.28 1.97 0.74 -1.26 -4.97 119.66 114.09 2kl1 s GLN 50 Ca 0.26 -1.90 -0.30 0.00 0.05 0.00 0.00 55.36 53.47 2kl1 s GLN 50 Cb -0.01 -0.58 -0.10 0.00 1.10 0.00 0.00 33.01 33.42 2kl1 s GLN 50 CO 0.18 -0.28 1.43 0.00 -0.55 0.00 0.00 175.29 176.07 2kl1 s ALA 51 N -3.45 3.61 0.00 1.58 0.00 -1.26 -1.91 121.76 120.32 2kl1 s ALA 51 Ca 0.35 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.67 2kl1 s ALA 51 Cb 0.07 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2kl1 s ALA 51 CO 0.15 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2kl1 n GLY 52 N 1.82 0.84 3.64 0.00 0.00 0.23 -5.00 105.19 106.72 2kl1 n GLY 52 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.01 0.97 -0.04 1.61 2.15 -0.81 -4.82 116.67 112.73 2kl1 s ASP 53 Ca 0.00 0.46 -0.01 0.00 0.43 0.00 0.00 52.55 53.43 2kl1 s ASP 53 Cb 0.00 -0.57 0.03 0.00 -0.30 0.00 0.00 42.92 42.08 2kl1 s ASP 53 CO 0.00 -4.08 0.03 -0.13 -0.17 0.00 0.00 175.17 170.82 2kl1 s ARG 54 N -5.58 0.17 -0.05 4.34 0.52 -1.26 -2.85 118.95 114.24 2kl1 s ARG 54 Ca 0.73 0.22 0.02 0.00 -0.52 0.00 0.00 55.73 56.18 2kl1 s ARG 54 Cb -0.07 -0.57 0.02 0.00 0.52 0.00 0.00 34.95 34.84 2kl1 s ARG 54 CO 0.55 -0.26 -0.07 0.14 0.02 0.00 0.00 175.30 175.68 2kl1 s VAL 55 N 1.72 0.74 -0.27 3.52 -7.23 0.71 -5.01 120.40 114.58 2kl1 s VAL 55 Ca -0.00 -0.26 -0.24 0.00 -1.81 0.00 0.00 61.98 59.67 2kl1 s VAL 55 Cb -0.13 -0.71 -0.00 0.00 0.56 0.00 0.00 36.38 36.10 2kl1 s VAL 55 CO -0.03 0.26 0.80 -0.13 -0.31 0.00 0.00 175.10 175.69 2kl1 s ARG 56 N 0.70 4.09 -0.12 4.82 1.81 -1.26 -1.74 118.95 127.25 2kl1 s ARG 56 Ca -0.11 0.77 -0.02 0.00 -1.72 0.00 0.00 55.73 54.65 2kl1 s ARG 56 Cb -0.14 -3.68 -0.03 0.00 -0.45 0.00 0.00 34.95 30.65 2kl1 s ARG 56 CO 0.01 -0.57 -0.03 0.08 -0.68 0.00 0.00 175.30 174.11 2kl1 s VAL 57 N 2.87 4.00 -0.16 3.52 1.01 -0.24 0.69 120.40 132.09 2kl1 s VAL 57 Ca 0.33 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 2kl1 s VAL 57 Cb -0.15 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2kl1 s VAL 57 CO 0.09 0.54 0.05 -0.89 0.00 0.00 0.00 175.10 174.89 2kl1 s THR 58 N -0.18 4.66 0.03 3.92 2.01 0.87 0.19 115.64 127.13 2kl1 s THR 58 Ca 0.04 -0.09 -0.13 0.00 0.31 0.00 0.00 61.69 61.81 2kl1 s THR 58 Cb -0.13 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.34 2kl1 s THR 58 CO 0.02 0.51 0.29 0.72 -0.69 0.00 0.00 174.62 175.46 2kl1 s PHE 59 N 0.02 -0.10 -0.09 4.92 -0.71 -0.71 -1.95 117.98 119.35 2kl1 s PHE 59 Ca 0.05 0.02 -0.01 0.00 -1.04 0.00 0.00 56.93 55.94 2kl1 s PHE 59 Cb -0.12 0.08 -0.03 0.00 -1.21 0.00 0.00 43.02 41.73 2kl1 s PHE 59 CO 0.01 -0.46 -0.03 0.42 -1.34 0.00 0.00 175.22 173.83 2kl1 s ILE 60 N -2.18 4.07 -0.05 -4.49 1.09 -1.03 -1.60 121.20 117.01 2kl1 s ILE 60 Ca -0.08 -0.33 -0.02 0.00 -1.10 0.00 0.00 60.65 59.12 2kl1 s ILE 60 Cb -0.02 -2.71 0.04 0.00 -1.06 0.00 0.00 42.46 38.71 2kl1 s ILE 60 CO -0.01 0.59 0.09 -0.60 -0.10 0.00 0.00 174.94 174.91 2kl1 s ARG 61 N -0.68 -0.03 -1.50 2.79 3.52 -0.61 -3.86 118.95 118.58 2kl1 s ARG 61 Ca 0.11 0.42 -0.13 0.00 -0.13 0.00 0.00 55.73 55.99 2kl1 s ARG 61 Cb -0.12 -0.38 0.07 0.00 -1.56 0.00 0.00 34.95 32.96 2kl1 s ARG 61 CO 0.02 -0.29 0.98 -0.25 -0.81 0.00 0.00 175.30 174.95 2kl1 n ASP 62 N 5.11 -5.10 0.00 -2.12 8.00 -1.26 -0.02 116.55 121.16 2kl1 n ASP 62 Ca -0.08 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.72 2kl1 n ASP 62 Cb 0.50 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 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 -1.01 -3.79 -1.24 5.12 -1.26 -4.97 116.66 104.83 2kl1 n ARG 63 Ca 0.03 0.25 -0.37 0.00 -1.93 0.00 0.00 57.85 55.84 2kl1 n ARG 63 Cb 0.53 -4.06 -0.13 0.00 -1.16 0.00 0.00 32.46 27.64 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 -1.06 3.24 0.03 5.56 1.02 0.97 -5.08 119.74 124.42 2kl1 s LYS 64 Ca 0.00 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 2kl1 s LYS 64 Cb 0.00 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 2kl1 s LYS 64 CO 0.00 -0.35 1.23 -0.65 -0.92 0.00 0.00 175.35 174.66 2kl1 s GLN 65 N 1.51 4.40 -0.06 1.68 -0.21 -1.26 -1.57 119.66 124.15 2kl1 s GLN 65 Ca 0.04 1.78 -0.05 0.00 0.02 0.00 0.00 55.36 57.15 2kl1 s GLN 65 Cb -0.16 -3.41 0.02 0.00 1.00 0.00 0.00 33.01 30.46 2kl1 s GLN 65 CO 0.01 -0.33 0.15 -1.01 -2.12 0.00 0.00 175.29 171.99 2kl1 s HIS 66 N 1.42 -0.17 -0.01 0.91 3.76 -0.63 -4.99 115.29 115.58 2kl1 s HIS 66 Ca 0.59 0.42 -0.16 0.00 -0.15 0.00 0.00 55.06 55.76 2kl1 s HIS 66 Cb -0.29 0.05 -0.06 0.00 1.11 0.00 0.00 32.58 33.39 2kl1 s HIS 66 CO 0.27 -0.09 0.43 -1.21 -0.85 0.00 0.00 174.74 173.29 2kl1 s GLU 67 N 0.18 4.00 -0.25 1.40 2.02 -1.26 -1.74 118.70 123.05 2kl1 s GLU 67 Ca -0.01 0.44 -0.04 0.00 0.02 0.00 0.00 54.97 55.38 2kl1 s GLU 67 Cb -0.02 -3.25 0.01 0.00 0.10 0.00 0.00 34.13 30.96 2kl1 s GLU 67 CO -0.00 0.61 -0.00 0.00 0.02 0.00 0.00 175.26 175.89 2kl1 s ALA 68 N -0.84 2.88 -0.62 5.21 0.00 0.50 -4.94 121.76 123.95 2kl1 s ALA 68 Ca 0.24 -1.34 -0.28 0.00 0.00 0.00 0.00 51.96 50.59 2kl1 s ALA 68 Cb -0.17 -1.87 0.02 0.00 0.00 0.00 0.00 23.12 21.10 2kl1 s ALA 68 CO 0.13 -0.70 1.37 -1.83 0.00 0.00 0.00 175.76 174.74 2kl1 s GLU 69 N 1.45 3.26 0.05 0.00 -1.05 -1.26 -1.08 118.70 120.06 2kl1 s GLU 69 Ca 0.03 0.24 0.06 0.00 -0.15 0.00 0.00 54.97 55.15 2kl1 s GLU 69 Cb -0.16 -4.14 -0.03 0.00 -0.44 0.00 0.00 34.13 29.36 2kl1 s GLU 69 CO -0.01 -2.01 -0.11 -0.51 0.95 0.00 0.00 175.26 173.56 2kl1 s LEU 70 N 6.00 2.95 -0.04 1.83 1.43 -0.71 -4.74 118.68 125.39 2kl1 s LEU 70 Ca 0.47 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2kl1 s LEU 70 Cb -0.10 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2kl1 s LEU 70 CO 0.22 0.24 -0.13 0.68 0.23 0.00 0.00 176.35 177.59 2kl1 s VAL 71 N -1.04 1.11 0.06 -1.59 -7.23 -1.26 -0.21 120.40 110.24 2kl1 s VAL 71 Ca 0.18 -0.53 -0.31 0.00 -1.81 0.00 0.00 61.98 59.51 2kl1 s VAL 71 Cb -0.11 -0.97 -0.08 0.00 0.56 0.00 0.00 36.38 35.78 2kl1 s VAL 71 CO 0.09 0.33 1.57 -0.76 -0.31 0.00 0.00 175.10 176.02 2kl1 s LEU 72 N 0.20 4.35 -0.11 1.32 2.01 -1.13 -4.87 118.68 120.45 2kl1 s LEU 72 Ca -0.05 2.38 -0.02 0.00 0.01 0.00 0.00 54.13 56.45 2kl1 s LEU 72 Cb -0.11 -3.56 0.03 0.00 0.01 0.00 0.00 46.19 42.56 2kl1 s LEU 72 CO 0.02 -0.83 -0.00 -0.75 1.01 0.00 0.00 176.35 175.80 2kl1 s LYS 73 N 2.45 0.75 0.09 1.70 2.20 -1.26 -0.60 119.74 125.07 2kl1 s LYS 73 Ca 0.71 -0.07 -0.01 0.00 -0.36 0.00 0.00 55.97 56.23 2kl1 s LYS 73 Cb -0.37 -1.33 0.02 0.00 -1.51 0.00 0.00 37.83 34.64 2kl1 s LYS 73 CO 0.30 -0.38 0.10 -0.35 -0.36 0.00 0.00 175.35 174.67 2kl1 n PRO 74 N 5.09 -0.52 -4.56 4.03 -0.04 -1.26 -2.17 135.00 135.57 2kl1 n PRO 74 Ca -0.08 -0.15 -0.25 0.00 -0.04 0.00 0.00 63.50 62.98 2kl1 n PRO 74 Cb 0.49 -0.12 -0.14 0.00 -0.04 0.00 0.00 33.50 33.70 2kl1 n PRO 74 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2kl1 s PHE 75 N -1.20 1.75 0.27 0.54 0.40 -1.25 -4.87 117.98 113.61 2kl1 s PHE 75 Ca 0.06 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 2kl1 s PHE 75 Cb -0.00 -1.03 0.36 0.00 0.51 0.00 0.00 43.02 42.86 2kl1 s PHE 75 CO 0.04 0.10 1.67 -1.00 0.70 0.00 0.00 175.22 176.73 2kl1 h PRO 76 N 4.76 0.41 0.00 0.24 0.13 -1.98 0.56 132.00 136.12 2kl1 h PRO 76 Ca -0.43 -0.19 -0.22 0.00 -0.87 0.00 0.00 66.00 64.30 2kl1 h PRO 76 Cb 1.16 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2kl1 h PRO 76 CO 0.43 0.72 -1.08 0.45 -0.23 0.00 0.00 178.00 178.29 2kl1 h HIS 77 N 0.35 0.00 -2.03 1.56 3.86 -2.03 -3.38 115.15 113.47 2kl1 h HIS 77 Ca 0.04 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.74 2kl1 h HIS 77 Cb 0.81 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.88 2kl1 h HIS 77 CO 0.02 0.98 -1.11 0.72 0.86 0.00 0.00 177.93 179.40 2kl1 n HIS 78 N -3.30 0.53 0.26 2.45 8.25 -1.15 -4.94 115.22 117.31 2kl1 n HIS 78 Ca -0.02 -3.79 0.11 0.00 -0.26 0.00 0.00 57.72 53.75 2kl1 n HIS 78 Cb 0.95 -0.42 0.69 0.00 1.12 0.00 0.00 29.99 32.33 2kl1 n HIS 78 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2kl1 h PRO 79 N 3.24 0.00 0.00 -0.41 0.13 -0.06 -2.26 132.00 132.63 2kl1 h PRO 79 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2kl1 h PRO 79 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2kl1 h PRO 79 CO 0.53 0.11 0.12 -1.71 -0.23 0.00 0.00 178.00 176.82 2kl1 n ASN 80 N -3.94 0.33 -4.74 1.44 2.85 -1.26 -4.57 115.26 105.36 2kl1 n ASN 80 Ca -0.02 0.60 -0.25 0.00 -0.11 0.00 0.00 54.58 54.79 2kl1 n ASN 80 Cb 0.20 -0.61 -0.07 0.00 1.24 0.00 0.00 39.78 40.54 2kl1 n ASN 80 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 2kl1 s GLN 81 N -3.26 2.21 0.40 1.20 -0.21 -0.85 -5.13 119.66 114.02 2kl1 s GLN 81 Ca -0.01 -1.89 0.01 0.00 0.02 0.00 0.00 55.36 53.48 2kl1 s GLN 81 Cb 0.04 -1.95 0.01 0.00 1.00 0.00 0.00 33.01 32.10 2kl1 s GLN 81 CO 0.11 -0.15 0.06 -0.89 -2.12 0.00 0.00 175.29 172.30 2kl1 n ILE 82 N -1.25 0.00 -1.42 1.08 2.08 -1.26 -4.19 119.36 114.39 2kl1 n ILE 82 Ca -0.02 -1.82 -0.14 0.00 0.56 0.00 0.00 62.75 61.33 2kl1 n ILE 82 Cb 0.65 0.27 -0.13 0.00 -0.75 0.00 0.00 39.64 39.69 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 0.25 -0.30 0.58 7.39 0.00 -0.92 -4.62 105.19 107.56 2kl1 n GLY 83 Ca -0.13 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.09 2kl1 n GLY 83 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2kl1 n LEU 84 N 10.73 2.11 0.07 0.99 -0.00 -1.26 -4.35 117.00 125.29 2kl1 n LEU 84 Ca 0.45 -0.73 0.02 0.00 -0.00 0.00 0.00 56.01 55.75 2kl1 n LEU 84 Cb 0.34 -0.02 0.39 0.00 -0.00 0.00 0.00 43.42 44.12 2kl1 n LEU 84 CO 0.76 0.38 0.96 1.23 -0.00 0.00 0.00 177.39 180.72 2kl1 h GLY 85 N 4.82 0.38 -4.87 1.47 0.00 -1.95 -3.42 103.07 99.50 2kl1 h GLY 85 Ca 0.00 -0.21 -0.67 0.00 0.00 0.00 0.00 47.33 46.46 2kl1 h GLY 85 CO 0.00 0.20 -0.65 0.14 0.00 0.00 0.00 176.54 176.23 2kl1 s VAL 86 N -4.96 4.10 0.00 4.60 1.01 -1.26 -4.39 120.40 119.50 2kl1 s VAL 86 Ca -0.07 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2kl1 s VAL 86 Cb 0.16 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2kl1 s VAL 86 CO 0.74 0.37 0.46 0.41 0.00 0.00 0.00 175.10 177.08