#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 4.04 0.00 7.83 2.85 -1.26 -4.91 115.26 123.80 2kl1 n ASN 2 Ca 0.00 -2.87 0.00 0.00 -0.11 0.00 0.00 54.58 51.60 2kl1 n ASN 2 Cb 0.00 -1.64 0.00 0.00 1.24 0.00 0.00 39.78 39.38 2kl1 n ASN 2 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2kl1 n GLU 3 N 5.88 0.00 0.00 1.20 1.02 -1.26 -4.80 120.64 122.68 2kl1 n GLU 3 Ca 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 2kl1 n GLU 3 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 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 3.25 0.00 -0.01 0.62 0.00 -1.26 -4.88 120.51 118.23 2kl1 n ALA 4 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2kl1 n ALA 4 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2kl1 n ALA 4 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2kl1 h LYS 5 N 0.00 0.13 0.00 0.00 1.57 -1.97 -3.46 116.57 112.83 2kl1 h LYS 5 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2kl1 h LYS 5 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2kl1 h LYS 5 CO 0.00 0.22 0.00 0.41 -0.57 0.00 0.00 179.45 179.51 2kl1 n GLY 6 N -0.75 2.12 3.31 3.86 0.00 -1.26 -4.78 105.19 107.68 2kl1 n GLY 6 Ca -0.06 -0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 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 3.04 0.63 -0.01 1.61 1.01 -1.26 -4.72 120.40 120.70 2kl1 s VAL 7 Ca 0.00 -2.00 0.04 0.00 0.00 0.00 0.00 61.98 60.02 2kl1 s VAL 7 Cb 0.00 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 2kl1 s VAL 7 CO 0.00 -0.12 -0.13 -0.31 0.00 0.00 0.00 175.10 174.54 2kl1 s TYR 8 N -3.70 1.15 0.07 5.22 1.51 -1.26 -2.86 117.35 117.47 2kl1 s TYR 8 Ca 0.34 -0.22 -0.31 0.00 -1.01 0.00 0.00 57.07 55.87 2kl1 s TYR 8 Cb 0.07 -0.73 -0.07 0.00 -0.11 0.00 0.00 41.96 41.12 2kl1 s TYR 8 CO 0.11 -0.02 1.40 0.08 -1.11 0.00 0.00 175.55 176.01 2kl1 s VAL 9 N -0.33 3.48 -0.04 0.71 1.01 -1.01 -4.96 120.40 119.25 2kl1 s VAL 9 Ca 0.05 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 63.00 2kl1 s VAL 9 Cb -0.05 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2kl1 s VAL 9 CO -0.00 0.04 0.13 -0.03 0.00 0.00 0.00 175.10 175.24 2kl1 h MET 10 N 7.25 -0.07 -4.88 2.72 4.05 -1.95 -3.28 114.93 118.78 2kl1 h MET 10 Ca -0.41 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 58.73 2kl1 h MET 10 Cb 1.20 0.02 -0.15 0.00 -0.80 0.00 0.00 31.60 31.87 2kl1 h MET 10 CO 0.88 -0.05 -0.70 -1.54 0.23 0.00 0.00 176.91 175.73 2kl1 s SER 11 N -4.21 1.47 -0.04 1.39 1.04 -1.26 -4.83 113.70 107.26 2kl1 s SER 11 Ca -0.01 -1.04 0.05 0.00 0.48 0.00 0.00 55.95 55.43 2kl1 s SER 11 Cb 0.00 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 2kl1 s SER 11 CO 0.03 -0.42 -0.18 -0.69 0.98 0.00 0.00 173.24 172.96 2kl1 s VAL 12 N -3.49 1.47 0.07 5.02 1.01 -1.26 -4.69 120.40 118.54 2kl1 s VAL 12 Ca 0.16 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2kl1 s VAL 12 Cb 0.04 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2kl1 s VAL 12 CO -0.01 0.42 0.01 -0.76 0.00 0.00 0.00 175.10 174.77 2kl1 s LEU 13 N -0.10 3.53 0.67 3.92 1.43 -1.26 -5.09 118.68 121.79 2kl1 s LEU 13 Ca -0.01 -0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.85 2kl1 s LEU 13 Cb -0.10 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 43.90 2kl1 s LEU 13 CO 0.01 0.20 1.07 -2.16 0.23 0.00 0.00 176.35 175.70 2kl1 s PRO 14 N -2.17 2.95 -1.49 1.29 0.04 -1.26 -3.70 135.00 130.65 2kl1 s PRO 14 Ca 0.25 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2kl1 s PRO 14 Cb -0.12 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.44 2kl1 s PRO 14 CO 0.17 -1.10 0.00 0.09 0.04 0.00 0.00 177.00 176.20 2kl1 n ASN 15 N -2.70 -4.95 -4.79 6.66 3.02 -1.26 -5.00 115.26 106.23 2kl1 n ASN 15 Ca 0.09 0.07 -0.24 0.00 -0.03 0.00 0.00 54.58 54.47 2kl1 n ASN 15 Cb 0.53 -4.02 -0.05 0.00 -0.61 0.00 0.00 39.78 35.63 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 -4.55 2.84 0.59 3.52 -1.94 -1.24 -5.02 119.30 113.50 2kl1 s MET 16 Ca 0.00 -1.02 0.38 0.00 -1.71 0.00 0.00 55.69 53.34 2kl1 s MET 16 Cb 0.00 -2.55 1.86 0.00 2.01 0.00 0.00 34.83 36.15 2kl1 s MET 16 CO 0.00 0.43 2.15 -1.00 -0.01 0.00 0.00 175.02 176.59 2kl1 h PRO 17 N 1.91 0.00 0.00 2.03 0.13 -1.91 -2.61 132.00 131.55 2kl1 h PRO 17 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2kl1 h PRO 17 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kl1 h PRO 17 CO 0.61 0.00 -1.76 0.00 -0.23 0.00 0.00 178.00 176.62 2kl1 n ALA 18 N -2.06 3.24 -1.71 -0.56 0.00 -1.26 -4.81 120.51 113.35 2kl1 n ALA 18 Ca -0.01 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 2kl1 n ALA 18 Cb 0.18 -0.75 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 2kl1 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kl1 n ALA 19 N -2.08 2.62 -0.02 0.00 0.00 -0.98 -0.03 120.51 120.02 2kl1 n ALA 19 Ca -0.02 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2kl1 n ALA 19 Cb 0.51 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.45 2kl1 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kl1 n GLY 20 N 3.93 0.31 0.00 0.00 0.00 -1.26 -4.77 105.19 103.40 2kl1 n GLY 20 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 2.91 -5.07 1.61 5.12 -0.21 -5.06 116.66 113.96 2kl1 n ARG 21 Ca 0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 2kl1 n ARG 21 Cb 0.00 -0.64 -0.15 0.00 -1.16 0.00 0.00 32.46 30.50 2kl1 n ARG 21 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2kl1 s LEU 22 N -1.30 2.36 0.04 0.55 2.01 0.95 -5.06 118.68 118.23 2kl1 s LEU 22 Ca 0.00 -0.41 0.03 0.00 0.01 0.00 0.00 54.13 53.76 2kl1 s LEU 22 Cb 0.00 -1.47 -0.02 0.00 0.01 0.00 0.00 46.19 44.71 2kl1 s LEU 22 CO 0.00 0.23 -0.09 -1.61 1.01 0.00 0.00 176.35 175.89 2kl1 s GLU 23 N -0.07 0.61 0.28 1.70 2.02 -1.26 -4.67 118.70 117.31 2kl1 s GLU 23 Ca -0.05 -0.70 -0.30 0.00 0.02 0.00 0.00 54.97 53.94 2kl1 s GLU 23 Cb -0.14 -0.47 -0.13 0.00 0.10 0.00 0.00 34.13 33.49 2kl1 s GLU 23 CO 0.04 0.10 1.36 0.00 0.02 0.00 0.00 175.26 176.79 2kl1 n ALA 24 N 1.71 1.21 0.00 5.21 0.00 -1.26 -2.16 120.51 125.22 2kl1 n ALA 24 Ca -0.20 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2kl1 n ALA 24 Cb 0.55 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 1.61 2.13 3.76 0.00 0.00 -1.24 -5.04 105.19 106.42 2kl1 n GLY 25 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 2kl1 n GLY 25 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kl1 s ASP 26 N -0.47 5.88 -0.03 1.61 -4.77 -0.92 -4.79 116.67 113.18 2kl1 s ASP 26 Ca 0.00 2.61 0.01 0.00 -3.30 0.00 0.00 52.55 51.88 2kl1 s ASP 26 Cb 0.00 -2.63 -0.03 0.00 -1.09 0.00 0.00 42.92 39.17 2kl1 s ASP 26 CO 0.00 -1.14 -0.05 -0.60 0.70 0.00 0.00 175.17 174.08 2kl1 s ARG 27 N -2.61 2.72 -0.23 2.11 3.52 -1.25 -2.41 118.95 120.80 2kl1 s ARG 27 Ca 0.64 -0.60 -0.18 0.00 -0.13 0.00 0.00 55.73 55.46 2kl1 s ARG 27 Cb -0.37 -2.60 -0.03 0.00 -1.56 0.00 0.00 34.95 30.39 2kl1 s ARG 27 CO 0.45 0.64 0.51 0.42 -0.81 0.00 0.00 175.30 176.51 2kl1 s ILE 28 N -0.93 5.10 -0.13 4.11 -1.09 -1.13 -1.51 121.20 125.60 2kl1 s ILE 28 Ca 0.15 0.90 0.20 0.00 -2.23 0.00 0.00 60.65 59.68 2kl1 s ILE 28 Cb -0.11 -3.83 -0.18 0.00 -1.58 0.00 0.00 42.46 36.77 2kl1 s ILE 28 CO 0.05 0.14 0.69 0.00 -1.23 0.00 0.00 174.94 174.59 2kl1 n ALA 29 N 5.12 2.37 0.00 9.38 0.00 -0.89 -4.22 120.51 132.27 2kl1 n ALA 29 Ca -0.05 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.87 2kl1 n ALA 29 Cb 0.50 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 -2.32 0.00 -3.67 0.00 0.00 -1.21 -3.78 120.51 109.52 2kl1 n ALA 30 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.12 2kl1 n ALA 30 Cb 0.69 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.97 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 1.04 -1.15 0.00 1.01 -0.21 -0.07 121.20 119.81 2kl1 s ILE 31 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2kl1 s ILE 31 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.47 2kl1 s ILE 31 CO 0.00 0.35 0.00 -0.67 0.00 0.00 0.00 174.94 174.62 2kl1 n ASP 32 N 4.34 -4.11 0.00 3.58 2.03 -0.21 0.59 116.55 122.77 2kl1 n ASP 32 Ca -0.18 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2kl1 n ASP 32 Cb 0.51 -3.39 0.00 0.00 -0.72 0.00 0.00 41.12 37.52 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 0.01 0.43 3.51 0.27 0.00 -1.26 -5.01 105.19 103.13 2kl1 n GLY 33 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.81 3.25 0.30 1.61 -1.52 0.20 -5.05 119.66 117.64 2kl1 s GLN 34 Ca 0.00 -0.55 -0.30 0.00 -1.95 0.00 0.00 55.36 52.56 2kl1 s GLN 34 Cb 0.00 -3.93 -0.12 0.00 -0.22 0.00 0.00 33.01 28.74 2kl1 s GLN 34 CO 0.00 -0.83 1.50 -2.30 -0.25 0.00 0.00 175.29 173.41 2kl1 n PRO 35 N 5.76 2.49 -3.31 2.91 -0.02 -1.26 -1.04 135.00 140.52 2kl1 n PRO 35 Ca -0.06 0.88 -0.44 0.00 -2.02 0.00 0.00 63.50 61.87 2kl1 n PRO 35 Cb 0.48 -2.61 -0.08 0.00 -0.02 0.00 0.00 33.50 31.28 2kl1 n PRO 35 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2kl1 s ILE 36 N -0.33 5.10 -0.10 4.25 -1.09 -1.25 -4.87 121.20 122.91 2kl1 s ILE 36 Ca 0.62 -0.75 0.17 0.00 -2.23 0.00 0.00 60.65 58.47 2kl1 s ILE 36 Cb -0.53 -4.15 -0.26 0.00 -1.58 0.00 0.00 42.46 35.94 2kl1 s ILE 36 CO 0.53 -0.61 0.24 -3.20 -1.23 0.00 0.00 174.94 170.67 2kl1 n ASN 37 N 5.56 0.67 -4.07 3.58 5.15 -1.26 -4.33 115.26 120.56 2kl1 n ASN 37 Ca -0.10 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.81 2kl1 n ASN 37 Cb 0.45 1.40 -0.10 0.00 -0.53 0.00 0.00 39.78 41.00 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 -2.87 0.21 0.29 -0.44 -4.23 -1.26 -4.87 115.64 102.47 2kl1 s THR 38 Ca -0.08 -1.77 0.30 0.00 -1.18 0.00 0.00 61.69 58.96 2kl1 s THR 38 Cb 0.09 -1.52 0.31 0.00 1.34 0.00 0.00 72.50 72.72 2kl1 s THR 38 CO 0.75 -0.96 2.01 0.28 -0.54 0.00 0.00 174.62 176.17 2kl1 h SER 39 N 3.11 0.00 0.03 3.99 0.02 -1.95 -2.17 113.55 116.57 2kl1 h SER 39 Ca -0.34 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.54 2kl1 h SER 39 Cb 1.15 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 2kl1 h SER 39 CO 0.65 0.11 -0.21 -0.08 -1.14 0.00 0.00 176.83 176.17 2kl1 h GLU 40 N 0.00 0.32 -0.12 3.45 4.81 -1.99 -2.10 114.58 118.96 2kl1 h GLU 40 Ca -0.00 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 2kl1 h GLU 40 Cb 0.46 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2kl1 h GLU 40 CO 0.01 0.52 0.00 1.96 -0.73 0.00 0.00 179.01 180.78 2kl1 h GLN 41 N 0.30 0.17 0.00 1.92 1.08 -1.80 -0.72 115.11 116.05 2kl1 h GLN 41 Ca 0.05 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.10 2kl1 h GLN 41 Cb 0.53 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 2kl1 h GLN 41 CO 0.04 0.19 -0.61 0.82 -0.95 0.00 0.00 178.83 178.31 2kl1 h ILE 42 N 0.17 1.24 -0.34 2.54 1.08 -1.49 -2.84 117.51 117.87 2kl1 h ILE 42 Ca 0.04 -2.26 -0.10 0.00 -0.39 0.00 0.00 64.86 62.15 2kl1 h ILE 42 Cb 0.12 2.29 -0.01 0.00 -3.07 0.00 0.00 36.82 36.16 2kl1 h ILE 42 CO 0.00 0.60 -0.18 0.58 -0.69 0.00 0.00 178.15 178.46 2kl1 h VAL 43 N 0.00 1.29 -0.72 1.67 2.07 -0.96 -2.47 116.25 117.13 2kl1 h VAL 43 Ca -0.01 -1.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.15 2kl1 h VAL 43 Cb 1.24 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 2kl1 h VAL 43 CO 0.08 0.43 0.20 0.77 0.02 0.00 0.00 177.57 179.07 2kl1 h SER 44 N 0.50 1.07 0.49 0.57 4.64 -1.36 -2.29 113.55 117.16 2kl1 h SER 44 Ca 0.07 -0.21 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 2kl1 h SER 44 Cb 0.72 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2kl1 h SER 44 CO 0.05 1.00 -0.32 0.22 -0.87 0.00 0.00 176.83 176.92 2kl1 h TYR 45 N 1.08 -0.84 -0.69 4.77 3.20 -1.36 1.47 116.97 124.61 2kl1 h TYR 45 Ca 0.23 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.17 2kl1 h TYR 45 Cb 0.33 0.30 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 2kl1 h TYR 45 CO 0.03 -0.48 0.37 0.28 -1.64 0.00 0.00 178.16 176.71 2kl1 h VAL 46 N -0.78 0.91 -0.23 1.81 2.07 -1.37 -0.89 116.25 117.77 2kl1 h VAL 46 Ca -0.05 -0.22 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 2kl1 h VAL 46 Cb 0.64 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2kl1 h VAL 46 CO 0.04 0.12 -0.42 -0.09 0.02 0.00 0.00 177.57 177.25 2kl1 h ARG 47 N 0.65 0.55 0.27 1.57 9.65 -1.13 -3.29 114.38 122.65 2kl1 h ARG 47 Ca 0.32 -0.29 -0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2kl1 h ARG 47 Cb 0.27 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 2kl1 h ARG 47 CO -0.22 0.87 -0.39 1.49 2.80 0.00 0.00 179.97 184.52 2kl1 h GLU 48 N 0.45 -0.66 0.00 0.20 4.81 0.35 -3.44 114.58 116.29 2kl1 h GLU 48 Ca 0.04 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2kl1 h GLU 48 Cb 0.92 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2kl1 h GLU 48 CO 0.08 -0.44 0.00 1.63 -0.73 0.00 0.00 179.01 179.55 2kl1 n LYS 49 N -4.73 0.37 -4.45 1.92 4.76 -0.91 -5.08 118.16 110.04 2kl1 n LYS 49 Ca -0.08 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.13 2kl1 n LYS 49 Cb 0.33 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.44 2kl1 n LYS 49 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 2kl1 s GLN 50 N -2.45 1.81 0.29 1.97 -2.07 -1.26 -4.90 119.66 113.04 2kl1 s GLN 50 Ca 0.00 -2.07 -0.30 0.00 -1.82 0.00 0.00 55.36 51.17 2kl1 s GLN 50 Cb 0.00 -0.45 -0.11 0.00 -1.09 0.00 0.00 33.01 31.36 2kl1 s GLN 50 CO 0.00 -0.45 1.60 0.00 -1.32 0.00 0.00 175.29 175.11 2kl1 s ALA 51 N -3.33 3.75 0.00 2.60 0.00 -1.26 -1.64 121.76 121.88 2kl1 s ALA 51 Ca 0.29 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.82 2kl1 s ALA 51 Cb 0.04 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2kl1 s ALA 51 CO 0.16 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.36 2kl1 n GLY 52 N 2.27 0.76 3.64 0.00 0.00 -0.39 -4.99 105.19 106.48 2kl1 n GLY 52 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.99 2.27 -0.08 1.61 2.15 -0.65 -4.83 116.67 114.15 2kl1 s ASP 53 Ca 0.00 1.20 -0.03 0.00 0.43 0.00 0.00 52.55 54.15 2kl1 s ASP 53 Cb 0.00 -1.88 0.04 0.00 -0.30 0.00 0.00 42.92 40.78 2kl1 s ASP 53 CO 0.00 -3.35 0.09 -0.13 -0.17 0.00 0.00 175.17 171.60 2kl1 s ARG 54 N -4.90 -0.03 -0.04 4.34 0.52 -1.26 -3.10 118.95 114.49 2kl1 s ARG 54 Ca 0.66 0.32 0.03 0.00 -0.52 0.00 0.00 55.73 56.22 2kl1 s ARG 54 Cb -0.20 -0.75 0.00 0.00 0.52 0.00 0.00 34.95 34.53 2kl1 s ARG 54 CO 0.59 -0.40 -0.13 0.14 0.02 0.00 0.00 175.30 175.52 2kl1 s VAL 55 N 2.19 1.09 -0.55 3.52 -7.23 -0.77 -5.04 120.40 113.62 2kl1 s VAL 55 Ca 0.04 -0.53 -0.28 0.00 -1.81 0.00 0.00 61.98 59.41 2kl1 s VAL 55 Cb -0.13 -0.96 0.02 0.00 0.56 0.00 0.00 36.38 35.87 2kl1 s VAL 55 CO -0.05 0.33 1.38 -0.13 -0.31 0.00 0.00 175.10 176.32 2kl1 s ARG 56 N 0.16 3.37 -0.09 4.82 1.81 -1.26 -3.12 118.95 124.64 2kl1 s ARG 56 Ca -0.04 0.48 -0.14 0.00 -1.72 0.00 0.00 55.73 54.31 2kl1 s ARG 56 Cb -0.10 -4.09 -0.05 0.00 -0.45 0.00 0.00 34.95 30.25 2kl1 s ARG 56 CO 0.01 -1.85 0.34 0.08 -0.68 0.00 0.00 175.30 173.20 2kl1 s VAL 57 N 5.81 5.21 -0.11 3.52 1.01 -0.47 -1.04 120.40 134.32 2kl1 s VAL 57 Ca 0.52 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 63.12 2kl1 s VAL 57 Cb -0.10 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2kl1 s VAL 57 CO 0.26 0.49 0.04 -0.89 0.00 0.00 0.00 175.10 174.99 2kl1 s THR 58 N -0.31 4.63 -0.00 3.92 2.01 0.90 0.19 115.64 126.99 2kl1 s THR 58 Ca 0.20 -0.12 -0.15 0.00 0.31 0.00 0.00 61.69 61.94 2kl1 s THR 58 Cb -0.15 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.39 2kl1 s THR 58 CO 0.08 0.58 0.32 0.72 -0.69 0.00 0.00 174.62 175.63 2kl1 s PHE 59 N -0.61 -0.18 -0.12 4.92 -0.71 -0.72 -2.10 117.98 118.46 2kl1 s PHE 59 Ca 0.11 0.23 -0.05 0.00 -1.04 0.00 0.00 56.93 56.17 2kl1 s PHE 59 Cb -0.12 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 2kl1 s PHE 59 CO 0.02 -0.42 0.08 0.42 -1.34 0.00 0.00 175.22 173.98 2kl1 s ILE 60 N -1.57 4.95 -0.11 -4.49 1.09 -0.57 -1.78 121.20 118.73 2kl1 s ILE 60 Ca -0.12 0.00 -0.04 0.00 -1.10 0.00 0.00 60.65 59.40 2kl1 s ILE 60 Cb -0.04 -3.15 0.05 0.00 -1.06 0.00 0.00 42.46 38.26 2kl1 s ILE 60 CO 0.03 0.58 0.16 -0.60 -0.10 0.00 0.00 174.94 175.01 2kl1 s ARG 61 N -0.66 0.06 -1.44 2.79 3.52 -0.59 -3.80 118.95 118.83 2kl1 s ARG 61 Ca 0.12 0.45 -0.08 0.00 -0.13 0.00 0.00 55.73 56.09 2kl1 s ARG 61 Cb -0.12 -0.55 0.05 0.00 -1.56 0.00 0.00 34.95 32.77 2kl1 s ARG 61 CO 0.02 -0.39 0.82 -0.25 -0.81 0.00 0.00 175.30 174.69 2kl1 n ASP 62 N 5.32 -2.96 0.00 -2.12 8.00 -1.26 0.18 116.55 123.71 2kl1 n ASP 62 Ca -0.05 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.63 2kl1 n ASP 62 Cb 0.50 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 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 -4.49 -1.11 -3.85 -1.24 3.00 -1.26 -4.95 116.66 102.75 2kl1 n ARG 63 Ca -0.12 0.28 -0.36 0.00 -0.00 0.00 0.00 57.85 57.65 2kl1 n ARG 63 Cb 0.60 -4.25 -0.13 0.00 0.00 0.00 0.00 32.46 28.68 2kl1 n ARG 63 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2kl1 s LYS 64 N -1.22 2.82 0.40 -0.14 1.02 0.13 -5.10 119.74 117.65 2kl1 s LYS 64 Ca 0.00 -1.02 -0.24 0.00 0.02 0.00 0.00 55.97 54.73 2kl1 s LYS 64 Cb 0.00 -3.22 -0.09 0.00 -0.52 0.00 0.00 37.83 34.00 2kl1 s LYS 64 CO 0.00 -0.49 1.04 -0.65 -0.92 0.00 0.00 175.35 174.32 2kl1 s GLN 65 N 1.38 4.18 -0.21 1.68 -0.21 -1.26 -1.54 119.66 123.69 2kl1 s GLN 65 Ca -0.00 1.47 -0.21 0.00 0.02 0.00 0.00 55.36 56.64 2kl1 s GLN 65 Cb -0.18 -2.52 0.06 0.00 1.00 0.00 0.00 33.01 31.37 2kl1 s GLN 65 CO -0.00 -0.12 0.59 -1.01 -2.12 0.00 0.00 175.29 172.63 2kl1 s HIS 66 N -1.69 -0.64 -0.13 0.91 3.76 -0.73 -4.96 115.29 111.80 2kl1 s HIS 66 Ca 0.58 1.52 -0.19 0.00 -0.15 0.00 0.00 55.06 56.82 2kl1 s HIS 66 Cb -0.21 0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.67 2kl1 s HIS 66 CO 0.26 -0.33 0.52 -1.21 -0.85 0.00 0.00 174.74 173.13 2kl1 s GLU 67 N 0.17 4.32 -0.21 1.40 2.02 -1.26 -1.76 118.70 123.38 2kl1 s GLU 67 Ca -0.01 0.51 -0.06 0.00 0.02 0.00 0.00 54.97 55.43 2kl1 s GLU 67 Cb -0.04 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 2kl1 s GLU 67 CO 0.02 0.07 0.02 0.00 0.02 0.00 0.00 175.26 175.39 2kl1 s ALA 68 N 0.88 3.07 -0.71 5.21 0.00 0.52 -4.91 121.76 125.82 2kl1 s ALA 68 Ca 0.27 -1.01 -0.27 0.00 0.00 0.00 0.00 51.96 50.95 2kl1 s ALA 68 Cb -0.16 -1.84 0.02 0.00 0.00 0.00 0.00 23.12 21.15 2kl1 s ALA 68 CO 0.11 -0.21 1.34 -2.00 0.00 0.00 0.00 175.76 175.01 2kl1 s GLU 69 N 1.10 3.15 0.10 0.00 2.56 -1.26 -1.37 118.70 122.98 2kl1 s GLU 69 Ca 0.03 -0.09 0.08 0.00 0.00 0.00 0.00 54.97 54.98 2kl1 s GLU 69 Cb -0.14 -4.19 -0.04 0.00 2.00 0.00 0.00 34.13 31.76 2kl1 s GLU 69 CO 0.02 -2.18 -0.15 -0.51 -0.56 0.00 0.00 175.26 171.88 2kl1 s LEU 70 N 6.08 2.83 -0.01 2.70 1.02 -1.18 -4.72 118.68 125.40 2kl1 s LEU 70 Ca 0.40 -0.47 0.01 0.00 0.02 0.00 0.00 54.13 54.09 2kl1 s LEU 70 Cb -0.09 -1.66 0.00 0.00 0.02 0.00 0.00 46.19 44.47 2kl1 s LEU 70 CO 0.17 0.19 -0.04 0.68 0.02 0.00 0.00 176.35 177.36 2kl1 s VAL 71 N -1.14 0.39 0.03 -1.59 -7.23 -1.26 -1.84 120.40 107.76 2kl1 s VAL 71 Ca 0.19 -0.17 -0.30 0.00 -1.81 0.00 0.00 61.98 59.89 2kl1 s VAL 71 Cb -0.11 -0.35 -0.09 0.00 0.56 0.00 0.00 36.38 36.39 2kl1 s VAL 71 CO 0.11 0.13 1.91 -0.76 -0.31 0.00 0.00 175.10 176.18 2kl1 s LEU 72 N 0.11 4.42 -0.19 1.32 1.43 -1.18 -4.89 118.68 119.71 2kl1 s LEU 72 Ca -0.01 2.62 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 2kl1 s LEU 72 Cb -0.05 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.66 2kl1 s LEU 72 CO -0.00 -1.03 -0.17 -0.75 0.23 0.00 0.00 176.35 174.62 2kl1 s LYS 73 N 4.26 3.05 0.97 1.70 2.20 -1.26 -1.26 119.74 129.41 2kl1 s LYS 73 Ca 0.86 -0.80 -0.15 0.00 -0.36 0.00 0.00 55.97 55.52 2kl1 s LYS 73 Cb -0.42 -2.65 0.18 0.00 -1.51 0.00 0.00 37.83 33.43 2kl1 s LYS 73 CO 0.40 -0.21 1.20 -1.25 -0.36 0.00 0.00 175.35 175.12 2kl1 s PRO 74 N 1.32 0.64 0.50 4.03 0.04 -1.26 0.18 135.00 140.45 2kl1 s PRO 74 Ca 0.05 -0.02 -0.07 0.00 0.04 0.00 0.00 61.00 61.00 2kl1 s PRO 74 Cb -0.13 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 2kl1 s PRO 74 CO -0.11 -2.48 0.84 -0.06 0.04 0.00 0.00 177.00 175.23 2kl1 s PHE 75 N -3.46 3.56 0.00 0.56 0.40 -1.26 -4.75 117.98 113.03 2kl1 s PHE 75 Ca 0.68 0.96 0.00 0.00 -0.60 0.00 0.00 56.93 57.97 2kl1 s PHE 75 Cb -0.10 -2.42 0.00 0.00 0.51 0.00 0.00 43.02 41.01 2kl1 s PHE 75 CO 0.53 -0.34 0.19 -2.30 0.70 0.00 0.00 175.22 174.00 2kl1 n PRO 76 N -2.21 0.00 -0.29 0.24 -0.02 -1.26 -3.46 135.00 128.01 2kl1 n PRO 76 Ca 0.02 0.15 0.11 0.00 -2.02 0.00 0.00 63.50 61.76 2kl1 n PRO 76 Cb 0.55 -0.69 0.27 0.00 -0.02 0.00 0.00 33.50 33.60 2kl1 n PRO 76 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2kl1 n HIS 77 N -0.34 0.75 -2.53 6.00 -0.00 -1.26 -4.43 115.22 113.41 2kl1 n HIS 77 Ca 0.00 -0.40 -0.25 0.00 -0.00 0.00 0.00 57.72 57.06 2kl1 n HIS 77 Cb 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2kl1 n HIS 77 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2kl1 n HIS 78 N 1.48 3.24 0.06 1.57 8.25 -1.25 -4.85 115.22 123.72 2kl1 n HIS 78 Ca 0.21 -3.15 0.01 0.00 -0.26 0.00 0.00 57.72 54.53 2kl1 n HIS 78 Cb 0.60 -0.14 0.03 0.00 1.12 0.00 0.00 29.99 31.60 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 -0.42 0.01 0.10 -0.41 -0.04 -1.22 -2.96 135.00 130.06 2kl1 n PRO 79 Ca 0.36 0.32 0.04 0.00 -0.04 0.00 0.00 63.50 64.17 2kl1 n PRO 79 Cb 0.66 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.81 2kl1 n PRO 79 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2kl1 n ASN 80 N -1.33 0.18 -1.06 3.54 6.94 -1.26 -4.53 115.26 117.74 2kl1 n ASN 80 Ca 0.01 0.42 0.00 0.00 -0.02 0.00 0.00 54.58 54.98 2kl1 n ASN 80 Cb 0.01 -0.36 0.00 0.00 -2.36 0.00 0.00 39.78 37.07 2kl1 n ASN 80 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 2kl1 n GLN 81 N -1.73 1.13 -4.42 -3.83 -0.06 -1.16 -5.13 117.38 102.19 2kl1 n GLN 81 Ca -0.00 0.00 -0.21 0.00 -2.00 0.00 0.00 57.00 54.79 2kl1 n GLN 81 Cb 0.33 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.41 2kl1 n GLN 81 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2kl1 s ILE 82 N -1.17 1.01 -0.51 1.69 -1.09 -1.26 -4.35 121.20 115.52 2kl1 s ILE 82 Ca 0.00 -2.00 -0.11 0.00 -2.23 0.00 0.00 60.65 56.31 2kl1 s ILE 82 Cb 0.00 -2.74 -0.12 0.00 -1.58 0.00 0.00 42.46 38.02 2kl1 s ILE 82 CO 0.00 0.00 1.58 0.61 -1.23 0.00 0.00 174.94 175.90 2kl1 n GLY 83 N -0.64 -0.22 0.59 6.18 0.00 0.49 -4.57 105.19 107.02 2kl1 n GLY 83 Ca -0.02 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.16 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 10.29 2.22 -0.01 0.99 7.99 -1.26 -4.44 117.00 132.77 2kl1 n LEU 84 Ca 0.24 -0.80 0.23 0.00 -0.01 0.00 0.00 56.01 55.68 2kl1 n LEU 84 Cb 0.44 -0.00 0.62 0.00 -0.11 0.00 0.00 43.42 44.37 2kl1 n LEU 84 CO 0.61 0.40 1.21 1.23 -1.51 0.00 0.00 177.39 179.32 2kl1 h GLY 85 N 4.82 0.00 -4.82 -0.72 0.00 -1.94 -3.38 103.07 97.03 2kl1 h GLY 85 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.67 2kl1 h GLY 85 CO 0.00 0.00 -0.65 0.14 0.00 0.00 0.00 176.54 176.03 2kl1 s VAL 86 N -4.51 4.14 -2.00 4.60 1.01 -1.26 -4.84 120.40 117.53 2kl1 s VAL 86 Ca -0.04 -0.67 0.24 0.00 0.00 0.00 0.00 61.98 61.51 2kl1 s VAL 86 Cb 0.14 -2.87 0.67 0.00 0.00 0.00 0.00 36.38 34.33 2kl1 s VAL 86 CO 0.50 0.33 1.78 1.07 0.00 0.00 0.00 175.10 178.77