#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kl1 s ASN 2 N 0.00 0.06 0.33 7.83 0.01 -1.26 -5.15 114.94 116.77 2kl1 s ASN 2 Ca 0.00 -1.70 0.07 0.00 -0.71 0.00 0.00 52.86 50.51 2kl1 s ASN 2 Cb 0.00 0.99 -0.02 0.00 0.41 0.00 0.00 41.25 42.64 2kl1 s ASN 2 CO 0.00 -0.18 0.41 -1.61 -1.51 0.00 0.00 177.10 174.21 2kl1 s GLU 3 N 1.16 3.00 -0.04 -0.60 2.02 -1.26 -5.00 118.70 117.98 2kl1 s GLU 3 Ca 0.22 -1.10 -0.09 0.00 0.02 0.00 0.00 54.97 54.03 2kl1 s GLU 3 Cb -0.07 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 2kl1 s GLU 3 CO -0.07 0.08 0.25 0.00 0.02 0.00 0.00 175.26 175.55 2kl1 n ALA 4 N -1.55 -0.80 -1.41 5.21 0.00 -1.26 -4.94 120.51 115.75 2kl1 n ALA 4 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2kl1 n ALA 4 Cb 0.59 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2kl1 n ALA 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kl1 n LYS 5 N 0.49 0.92 0.00 0.00 5.02 -1.26 -5.10 118.16 118.23 2kl1 n LYS 5 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2kl1 n LYS 5 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.02 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 5.00 1.17 3.52 0.72 0.00 -1.26 -4.76 105.19 109.58 2kl1 n GLY 6 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 3.23 2.22 -0.13 1.61 1.01 -1.25 -4.93 120.40 122.15 2kl1 s VAL 7 Ca 0.00 -2.23 0.03 0.00 0.00 0.00 0.00 61.98 59.77 2kl1 s VAL 7 Cb 0.00 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.83 2kl1 s VAL 7 CO 0.00 -0.25 -0.21 -0.31 0.00 0.00 0.00 175.10 174.33 2kl1 s TYR 8 N -2.64 2.52 -0.08 5.22 1.51 -1.26 -3.02 117.35 119.61 2kl1 s TYR 8 Ca 0.32 -1.23 -0.30 0.00 -1.01 0.00 0.00 57.07 54.85 2kl1 s TYR 8 Cb 0.01 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 40.11 2kl1 s TYR 8 CO 0.16 -0.56 1.16 0.08 -1.11 0.00 0.00 175.55 175.27 2kl1 s VAL 9 N 0.79 4.38 -0.01 0.71 1.01 -0.99 -4.97 120.40 121.32 2kl1 s VAL 9 Ca -0.08 1.69 -0.06 0.00 0.00 0.00 0.00 61.98 63.52 2kl1 s VAL 9 Cb -0.16 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 2kl1 s VAL 9 CO -0.01 -0.01 0.56 0.24 0.00 0.00 0.00 175.10 175.88 2kl1 h MET 10 N 7.42 -0.22 -4.79 2.72 0.00 -1.91 -3.12 114.93 115.04 2kl1 h MET 10 Ca -0.33 0.01 -0.36 0.00 0.00 0.00 0.00 59.70 59.03 2kl1 h MET 10 Cb 1.15 0.05 -0.14 0.00 0.00 0.00 0.00 31.60 32.66 2kl1 h MET 10 CO 0.88 -0.14 -0.57 0.45 0.00 0.00 0.00 176.91 177.53 2kl1 s SER 11 N -3.34 1.07 -0.06 1.22 0.15 -1.26 -4.60 113.70 106.88 2kl1 s SER 11 Ca -0.03 -1.53 0.04 0.00 0.70 0.00 0.00 55.95 55.13 2kl1 s SER 11 Cb 0.00 0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 64.72 2kl1 s SER 11 CO 0.10 -0.90 -0.18 0.54 1.20 0.00 0.00 173.24 174.01 2kl1 s VAL 12 N -3.77 1.52 -0.27 4.45 0.11 -1.26 -4.64 120.40 116.53 2kl1 s VAL 12 Ca 0.38 -0.74 -0.04 0.00 -2.93 0.00 0.00 61.98 58.65 2kl1 s VAL 12 Cb 0.05 -1.31 0.02 0.00 -1.53 0.00 0.00 36.38 33.61 2kl1 s VAL 12 CO 0.17 0.44 0.00 -0.76 -3.33 0.00 0.00 175.10 171.62 2kl1 s LEU 13 N 0.18 3.54 1.00 2.54 1.43 -1.26 -5.01 118.68 121.10 2kl1 s LEU 13 Ca -0.08 -0.88 -0.18 0.00 -1.03 0.00 0.00 54.13 51.96 2kl1 s LEU 13 Cb -0.13 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.27 2kl1 s LEU 13 CO 0.04 -0.17 -0.45 -2.65 0.23 0.00 0.00 176.35 173.34 2kl1 n PRO 14 N 4.73 -0.33 -1.33 1.29 -0.02 -1.26 -3.02 135.00 135.07 2kl1 n PRO 14 Ca -0.15 -0.08 -0.11 0.00 -2.02 0.00 0.00 63.50 61.14 2kl1 n PRO 14 Cb 0.47 -1.36 -0.05 0.00 -0.02 0.00 0.00 33.50 32.54 2kl1 n PRO 14 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kl1 n ASN 15 N 1.28 -4.52 -4.70 2.55 4.13 -1.26 -5.00 115.26 107.74 2kl1 n ASN 15 Ca 0.01 0.28 -0.23 0.00 1.68 0.00 0.00 54.58 56.32 2kl1 n ASN 15 Cb 0.60 -3.01 -0.06 0.00 -1.54 0.00 0.00 39.78 35.76 2kl1 n ASN 15 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2kl1 s MET 16 N -2.87 2.46 0.29 3.52 -1.94 -1.17 -5.02 119.30 114.57 2kl1 s MET 16 Ca 0.00 -1.33 0.01 0.00 -1.71 0.00 0.00 55.69 52.66 2kl1 s MET 16 Cb 0.00 -2.26 0.53 0.00 2.01 0.00 0.00 34.83 35.11 2kl1 s MET 16 CO 0.00 0.36 1.86 -1.35 -0.01 0.00 0.00 175.02 175.88 2kl1 h PRO 17 N 1.77 1.00 0.00 2.03 0.11 -1.90 -1.71 132.00 133.30 2kl1 h PRO 17 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2kl1 h PRO 17 Cb 1.25 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2kl1 h PRO 17 CO 0.61 0.66 -0.31 0.00 -0.21 0.00 0.00 178.00 178.75 2kl1 n ALA 18 N -2.37 2.79 -2.04 -0.75 0.00 -1.26 -4.79 120.51 112.09 2kl1 n ALA 18 Ca 0.17 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 2kl1 n ALA 18 Cb 0.29 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 2kl1 n ALA 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kl1 s ALA 19 N -3.07 3.64 0.00 0.00 0.00 -0.64 0.17 121.76 121.85 2kl1 s ALA 19 Ca 0.10 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2kl1 s ALA 19 Cb 0.15 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2kl1 s ALA 19 CO 0.64 -0.67 0.00 0.41 0.00 0.00 0.00 175.76 176.14 2kl1 n GLY 20 N 3.24 1.90 0.00 0.00 0.00 -1.26 -4.72 105.19 104.35 2kl1 n GLY 20 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2kl1 n GLY 20 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kl1 n ARG 21 N -2.00 2.53 -4.47 1.61 1.85 -0.88 -5.07 116.66 110.24 2kl1 n ARG 21 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 2kl1 n ARG 21 Cb 0.00 -0.77 -0.13 0.00 -1.05 0.00 0.00 32.46 30.50 2kl1 n ARG 21 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2kl1 s LEU 22 N -1.99 2.26 0.06 2.89 2.96 0.44 -5.04 118.68 120.26 2kl1 s LEU 22 Ca 0.00 -0.66 -0.05 0.00 -0.22 0.00 0.00 54.13 53.20 2kl1 s LEU 22 Cb 0.00 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.63 2kl1 s LEU 22 CO 0.00 0.14 0.09 -1.61 -1.32 0.00 0.00 176.35 173.65 2kl1 s GLU 23 N -1.71 0.68 0.29 1.98 0.41 -1.26 -4.55 118.70 114.54 2kl1 s GLU 23 Ca 0.09 -0.94 -0.30 0.00 -0.41 0.00 0.00 54.97 53.41 2kl1 s GLU 23 Cb -0.10 0.26 -0.12 0.00 -1.78 0.00 0.00 34.13 32.39 2kl1 s GLU 23 CO 0.04 -0.18 1.49 0.00 -0.49 0.00 0.00 175.26 176.13 2kl1 n ALA 24 N 0.32 1.98 0.00 5.21 0.00 -1.26 -2.13 120.51 124.63 2kl1 n ALA 24 Ca -0.16 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2kl1 n ALA 24 Cb 0.60 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 1.79 1.85 3.77 0.00 0.00 -1.18 -5.06 105.19 106.36 2kl1 n GLY 25 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.23 6.34 0.29 1.61 1.01 -0.90 -4.76 116.67 120.02 2kl1 s ASP 26 Ca 0.00 2.25 0.10 0.00 0.71 0.00 0.00 52.55 55.61 2kl1 s ASP 26 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.28 2kl1 s ASP 26 CO 0.00 -0.80 -0.03 0.00 0.21 0.00 0.00 175.17 174.56 2kl1 s ARG 27 N -2.61 2.13 -0.29 8.23 1.70 -1.24 -2.35 118.95 124.53 2kl1 s ARG 27 Ca 0.62 -1.57 -0.12 0.00 -0.47 0.00 0.00 55.73 54.19 2kl1 s ARG 27 Cb -0.27 -2.03 -0.04 0.00 -0.57 0.00 0.00 34.95 32.03 2kl1 s ARG 27 CO 0.34 0.28 0.21 0.42 -1.08 0.00 0.00 175.30 175.47 2kl1 s ILE 28 N -2.41 5.30 -0.21 4.99 -1.09 -1.17 -2.21 121.20 124.40 2kl1 s ILE 28 Ca 0.32 0.13 0.22 0.00 -2.23 0.00 0.00 60.65 59.10 2kl1 s ILE 28 Cb -0.04 -3.57 -0.12 0.00 -1.58 0.00 0.00 42.46 37.15 2kl1 s ILE 28 CO 0.19 0.20 0.87 0.00 -1.23 0.00 0.00 174.94 174.97 2kl1 n ALA 29 N 5.08 2.71 -3.61 9.38 0.00 -1.07 -3.87 120.51 129.13 2kl1 n ALA 29 Ca -0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 53.44 52.96 2kl1 n ALA 29 Cb 0.52 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 2kl1 n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kl1 s ALA 30 N -3.39 -2.24 -0.04 0.00 0.00 -1.23 -3.93 121.76 110.94 2kl1 s ALA 30 Ca -0.02 1.34 -0.01 0.00 0.00 0.00 0.00 51.96 53.26 2kl1 s ALA 30 Cb 0.11 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.25 2kl1 s ALA 30 CO 0.83 -0.79 0.05 0.42 0.00 0.00 0.00 175.76 176.27 2kl1 s ILE 31 N -2.24 -0.07 -1.01 0.00 1.01 -0.40 -0.57 121.20 117.91 2kl1 s ILE 31 Ca 0.12 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2kl1 s ILE 31 Cb 0.02 -0.15 0.00 0.00 0.01 0.00 0.00 42.46 42.34 2kl1 s ILE 31 CO -0.04 0.16 0.00 0.47 0.00 0.00 0.00 174.94 175.53 2kl1 n ASP 32 N 4.98 -3.03 0.00 3.58 9.92 0.36 0.14 116.55 132.50 2kl1 n ASP 32 Ca -0.10 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 2kl1 n ASP 32 Cb 0.50 -2.79 0.00 0.00 -0.64 0.00 0.00 41.12 38.19 2kl1 n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kl1 n GLY 33 N -0.43 0.36 3.48 0.44 0.00 -1.26 -5.05 105.19 102.74 2kl1 n GLY 33 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.92 3.20 0.31 1.61 -1.52 0.36 -5.05 119.66 117.66 2kl1 s GLN 34 Ca 0.00 -0.62 -0.29 0.00 -1.95 0.00 0.00 55.36 52.49 2kl1 s GLN 34 Cb 0.00 -4.02 -0.12 0.00 -0.22 0.00 0.00 33.01 28.66 2kl1 s GLN 34 CO 0.00 -1.11 1.56 -2.30 -0.25 0.00 0.00 175.29 173.19 2kl1 n PRO 35 N 6.23 2.68 -3.59 2.91 -0.02 -1.26 -1.28 135.00 140.67 2kl1 n PRO 35 Ca -0.04 0.95 -0.40 0.00 -2.02 0.00 0.00 63.50 61.99 2kl1 n PRO 35 Cb 0.47 -2.72 -0.11 0.00 -0.02 0.00 0.00 33.50 31.12 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 -0.30 4.83 -0.01 4.25 -1.09 -1.25 -4.89 121.20 122.73 2kl1 s ILE 36 Ca 0.61 -0.53 0.06 0.00 -2.23 0.00 0.00 60.65 58.56 2kl1 s ILE 36 Cb -0.49 -3.56 -0.10 0.00 -1.58 0.00 0.00 42.46 36.73 2kl1 s ILE 36 CO 0.53 -0.08 0.13 -0.46 -1.23 0.00 0.00 174.94 173.82 2kl1 n ASN 37 N 5.04 3.53 -4.20 3.58 0.23 -1.26 -4.41 115.26 117.77 2kl1 n ASN 37 Ca -0.13 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.81 2kl1 n ASN 37 Cb 0.48 1.25 -0.10 0.00 -2.08 0.00 0.00 39.78 39.33 2kl1 n ASN 37 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2kl1 s THR 38 N -2.43 0.82 0.06 5.53 -4.23 -1.26 -4.95 115.64 109.18 2kl1 s THR 38 Ca -0.02 -1.97 0.12 0.00 -1.18 0.00 0.00 61.69 58.64 2kl1 s THR 38 Cb 0.04 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 72.09 2kl1 s THR 38 CO 0.27 -0.81 1.46 0.77 -0.54 0.00 0.00 174.62 175.77 2kl1 h SER 39 N 2.89 0.00 0.36 3.99 4.64 -1.96 -3.17 113.55 120.30 2kl1 h SER 39 Ca -0.36 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.88 2kl1 h SER 39 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2kl1 h SER 39 CO 0.64 0.67 -0.38 1.05 -0.87 0.00 0.00 176.83 177.94 2kl1 h GLU 40 N 0.00 0.04 0.00 4.77 4.11 -2.00 -2.36 114.58 119.13 2kl1 h GLU 40 Ca -0.01 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.38 2kl1 h GLU 40 Cb 1.39 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.64 2kl1 h GLU 40 CO 0.09 0.41 -0.15 1.96 0.07 0.00 0.00 179.01 181.39 2kl1 h GLN 41 N 0.03 0.00 0.00 1.06 4.20 -1.97 -1.16 115.11 117.26 2kl1 h GLN 41 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 2kl1 h GLN 41 Cb 0.69 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 2kl1 h GLN 41 CO 0.05 0.15 -0.59 0.82 -0.67 0.00 0.00 178.83 178.59 2kl1 h ILE 42 N 0.00 1.08 -0.28 2.54 1.08 -1.56 -2.55 117.51 117.82 2kl1 h ILE 42 Ca -0.00 -2.34 -0.14 0.00 -0.39 0.00 0.00 64.86 61.99 2kl1 h ILE 42 Cb 0.32 2.41 -0.00 0.00 -3.07 0.00 0.00 36.82 36.48 2kl1 h ILE 42 CO 0.02 0.58 -0.38 0.58 -0.69 0.00 0.00 178.15 178.26 2kl1 h VAL 43 N 0.00 1.30 -0.34 1.67 2.07 -1.14 -2.28 116.25 117.51 2kl1 h VAL 43 Ca -0.01 -1.56 -0.16 0.00 0.82 0.00 0.00 66.70 65.79 2kl1 h VAL 43 Cb 1.36 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2kl1 h VAL 43 CO 0.08 0.50 -0.42 0.28 0.02 0.00 0.00 177.57 178.03 2kl1 h SER 44 N 0.51 0.94 0.50 0.57 0.02 -1.48 -2.86 113.55 111.74 2kl1 h SER 44 Ca 0.03 -0.44 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 2kl1 h SER 44 Cb 0.97 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 2kl1 h SER 44 CO 0.09 1.23 -0.29 0.22 -1.14 0.00 0.00 176.83 176.94 2kl1 h TYR 45 N 0.70 -0.76 -0.83 3.45 3.20 -1.41 -0.74 116.97 120.59 2kl1 h TYR 45 Ca 0.05 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.02 2kl1 h TYR 45 Cb 1.01 0.27 -0.06 0.00 1.54 0.00 0.00 36.73 39.49 2kl1 h TYR 45 CO 0.06 -0.45 0.54 -0.39 -1.64 0.00 0.00 178.16 176.28 2kl1 h VAL 46 N -0.74 0.91 -0.43 1.81 -1.51 -1.47 0.15 116.25 114.96 2kl1 h VAL 46 Ca -0.06 -0.24 -0.08 0.00 -1.23 0.00 0.00 66.70 65.09 2kl1 h VAL 46 Cb 0.60 0.14 -0.02 0.00 -2.13 0.00 0.00 31.29 29.88 2kl1 h VAL 46 CO 0.07 0.13 -0.05 0.03 -1.23 0.00 0.00 177.57 176.52 2kl1 h ARG 47 N 0.71 0.73 -0.69 5.19 2.47 -1.21 -2.85 114.38 118.73 2kl1 h ARG 47 Ca 0.39 -0.21 0.03 0.00 -1.26 0.00 0.00 59.98 58.94 2kl1 h ARG 47 Cb 0.55 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.74 2kl1 h ARG 47 CO -0.16 0.78 0.43 1.49 0.56 0.00 0.00 179.97 183.07 2kl1 h GLU 48 N 0.68 0.81 -6.29 0.04 4.81 0.55 -3.42 114.58 111.75 2kl1 h GLU 48 Ca 0.13 -0.05 -0.56 0.00 -0.13 0.00 0.00 59.36 58.75 2kl1 h GLU 48 Cb 0.49 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 2kl1 h GLU 48 CO 0.03 0.53 -0.22 0.15 -0.73 0.00 0.00 179.01 178.77 2kl1 s LYS 49 N -6.11 3.71 0.57 1.92 -0.14 -1.07 -5.11 119.74 113.50 2kl1 s LYS 49 Ca -0.13 0.09 0.09 0.00 -1.36 0.00 0.00 55.97 54.66 2kl1 s LYS 49 Cb 0.15 -2.76 0.08 0.00 -1.68 0.00 0.00 37.83 33.62 2kl1 s LYS 49 CO 0.77 0.40 0.74 1.14 -0.76 0.00 0.00 175.35 177.63 2kl1 s GLN 50 N -2.70 2.32 0.31 1.68 0.00 -1.26 -4.86 119.66 115.15 2kl1 s GLN 50 Ca 0.44 -1.68 -0.29 0.00 -0.00 0.00 0.00 55.36 53.83 2kl1 s GLN 50 Cb -0.12 -2.58 -0.10 0.00 0.00 0.00 0.00 33.01 30.21 2kl1 s GLN 50 CO 0.23 -0.81 1.36 0.00 0.00 0.00 0.00 175.29 176.07 2kl1 s ALA 51 N -2.67 3.54 0.00 2.60 0.00 -1.26 -2.27 121.76 121.70 2kl1 s ALA 51 Ca 0.58 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.85 2kl1 s ALA 51 Cb -0.05 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.55 2kl1 s ALA 51 CO 0.37 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.83 2kl1 n GLY 52 N 1.16 0.92 3.68 0.00 0.00 -1.04 -5.02 105.19 104.88 2kl1 n GLY 52 Ca 0.02 0.00 -0.30 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 -3.01 1.76 -0.02 1.61 2.15 -0.96 -4.82 116.67 113.37 2kl1 s ASP 53 Ca 0.00 0.68 0.00 0.00 0.43 0.00 0.00 52.55 53.66 2kl1 s ASP 53 Cb 0.00 -0.98 0.03 0.00 -0.30 0.00 0.00 42.92 41.66 2kl1 s ASP 53 CO 0.00 -3.61 0.02 0.00 -0.17 0.00 0.00 175.17 171.41 2kl1 s ARG 54 N -5.41 0.05 -0.03 4.34 3.03 -1.26 -2.51 118.95 117.16 2kl1 s ARG 54 Ca 0.70 0.16 0.01 0.00 2.03 0.00 0.00 55.73 58.62 2kl1 s ARG 54 Cb -0.11 -0.31 0.02 0.00 -1.03 0.00 0.00 34.95 33.52 2kl1 s ARG 54 CO 0.55 -0.16 -0.03 0.14 -1.13 0.00 0.00 175.30 174.68 2kl1 s VAL 55 N 1.06 0.36 -0.57 4.99 -7.23 0.11 -5.01 120.40 114.11 2kl1 s VAL 55 Ca -0.09 -0.04 -0.28 0.00 -1.81 0.00 0.00 61.98 59.76 2kl1 s VAL 55 Cb -0.13 -0.40 0.03 0.00 0.56 0.00 0.00 36.38 36.44 2kl1 s VAL 55 CO -0.03 0.18 1.15 -0.13 -0.31 0.00 0.00 175.10 175.96 2kl1 s ARG 56 N 0.84 3.51 -0.00 4.82 1.81 -1.26 -2.44 118.95 126.22 2kl1 s ARG 56 Ca -0.10 0.22 -0.08 0.00 -1.72 0.00 0.00 55.73 54.05 2kl1 s ARG 56 Cb -0.13 -4.01 -0.05 0.00 -0.45 0.00 0.00 34.95 30.31 2kl1 s ARG 56 CO -0.01 -1.63 0.28 0.08 -0.68 0.00 0.00 175.30 173.35 2kl1 s VAL 57 N 4.77 5.28 -0.08 3.52 1.01 -0.30 -0.48 120.40 134.12 2kl1 s VAL 57 Ca 0.42 0.28 -0.00 0.00 0.00 0.00 0.00 61.98 62.67 2kl1 s VAL 57 Cb -0.08 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 2kl1 s VAL 57 CO 0.25 0.42 -0.05 -0.89 0.00 0.00 0.00 175.10 174.83 2kl1 s THR 58 N -1.24 3.82 -0.00 3.92 2.01 0.26 0.17 115.64 124.57 2kl1 s THR 58 Ca 0.26 -0.43 -0.16 0.00 0.31 0.00 0.00 61.69 61.67 2kl1 s THR 58 Cb -0.13 -2.58 0.03 0.00 0.01 0.00 0.00 72.50 69.82 2kl1 s THR 58 CO 0.14 0.59 0.33 0.72 -0.69 0.00 0.00 174.62 175.71 2kl1 s PHE 59 N -0.69 -0.19 -0.13 4.92 -0.12 -0.75 -2.60 117.98 118.41 2kl1 s PHE 59 Ca 0.11 0.26 -0.03 0.00 -0.05 0.00 0.00 56.93 57.21 2kl1 s PHE 59 Cb -0.11 0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.36 2kl1 s PHE 59 CO 0.02 -0.42 -0.02 0.42 -0.05 0.00 0.00 175.22 175.17 2kl1 s ILE 60 N -1.55 4.11 -0.05 -4.49 1.09 -0.94 -1.40 121.20 117.97 2kl1 s ILE 60 Ca -0.12 -0.30 -0.01 0.00 -1.10 0.00 0.00 60.65 59.12 2kl1 s ILE 60 Cb -0.04 -2.77 0.03 0.00 -1.06 0.00 0.00 42.46 38.61 2kl1 s ILE 60 CO 0.03 0.53 0.03 -0.60 -0.10 0.00 0.00 174.94 174.84 2kl1 s ARG 61 N -0.14 0.23 -1.56 2.79 3.52 -0.70 -3.72 118.95 119.36 2kl1 s ARG 61 Ca 0.04 0.23 -0.12 0.00 -0.13 0.00 0.00 55.73 55.75 2kl1 s ARG 61 Cb -0.13 -0.66 0.09 0.00 -1.56 0.00 0.00 34.95 32.69 2kl1 s ARG 61 CO 0.02 -0.28 0.73 -0.25 -0.81 0.00 0.00 175.30 174.71 2kl1 n ASP 62 N 5.02 -2.77 0.00 -2.12 9.92 -1.26 0.11 116.55 125.44 2kl1 n ASP 62 Ca -0.09 -0.94 0.00 0.00 -0.53 0.00 0.00 54.79 53.23 2kl1 n ASP 62 Cb 0.50 -3.18 0.00 0.00 -0.64 0.00 0.00 41.12 37.80 2kl1 n ASP 62 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2kl1 n ARG 63 N -4.46 -0.26 -3.67 -1.24 0.63 -1.26 -4.96 116.66 101.44 2kl1 n ARG 63 Ca -0.05 0.06 -0.39 0.00 -0.92 0.00 0.00 57.85 56.55 2kl1 n ARG 63 Cb 0.56 -3.49 -0.11 0.00 0.45 0.00 0.00 32.46 29.87 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 -0.55 2.51 0.22 -0.14 1.02 0.29 -5.08 119.74 118.01 2kl1 s LYS 64 Ca 0.00 -1.45 -0.30 0.00 0.02 0.00 0.00 55.97 54.24 2kl1 s LYS 64 Cb 0.00 -3.66 -0.08 0.00 -0.52 0.00 0.00 37.83 33.57 2kl1 s LYS 64 CO 0.00 -0.90 1.00 1.14 -0.92 0.00 0.00 175.35 175.67 2kl1 s GLN 65 N 1.37 4.76 -0.06 1.68 -2.07 -1.26 -1.72 119.66 122.35 2kl1 s GLN 65 Ca 0.02 1.58 -0.12 0.00 -1.82 0.00 0.00 55.36 55.02 2kl1 s GLN 65 Cb -0.22 -3.28 0.02 0.00 -1.09 0.00 0.00 33.01 28.45 2kl1 s GLN 65 CO 0.01 0.36 0.29 -1.01 -1.32 0.00 0.00 175.29 173.61 2kl1 s HIS 66 N -0.89 -0.23 -0.05 9.60 3.76 -0.49 -4.99 115.29 122.01 2kl1 s HIS 66 Ca 0.44 0.48 -0.20 0.00 -0.15 0.00 0.00 55.06 55.63 2kl1 s HIS 66 Cb -0.27 0.09 -0.05 0.00 1.11 0.00 0.00 32.58 33.46 2kl1 s HIS 66 CO 0.34 -0.27 0.56 -1.21 -0.85 0.00 0.00 174.74 173.31 2kl1 s GLU 67 N -0.63 4.31 -0.22 1.40 2.02 -1.26 -1.81 118.70 122.51 2kl1 s GLU 67 Ca -0.07 0.63 -0.05 0.00 0.02 0.00 0.00 54.97 55.50 2kl1 s GLU 67 Cb -0.04 -3.38 -0.02 0.00 0.10 0.00 0.00 34.13 30.79 2kl1 s GLU 67 CO 0.02 0.27 -0.01 0.00 0.02 0.00 0.00 175.26 175.56 2kl1 s ALA 68 N 0.17 2.92 -0.66 5.21 0.00 0.46 -4.92 121.76 124.94 2kl1 s ALA 68 Ca 0.30 -1.11 -0.27 0.00 0.00 0.00 0.00 51.96 50.87 2kl1 s ALA 68 Cb -0.17 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.19 2kl1 s ALA 68 CO 0.15 -0.36 1.36 -1.21 0.00 0.00 0.00 175.76 175.70 2kl1 s GLU 69 N 1.37 3.21 0.11 0.00 2.02 -1.26 -1.15 118.70 123.00 2kl1 s GLU 69 Ca 0.04 0.11 0.08 0.00 0.02 0.00 0.00 54.97 55.22 2kl1 s GLU 69 Cb -0.14 -4.16 -0.04 0.00 0.10 0.00 0.00 34.13 29.89 2kl1 s GLU 69 CO -0.01 -2.08 -0.16 -1.17 0.02 0.00 0.00 175.26 171.86 2kl1 s LEU 70 N 6.04 2.77 -0.04 1.80 0.20 -1.02 -4.63 118.68 123.80 2kl1 s LEU 70 Ca 0.44 -0.51 0.04 0.00 0.69 0.00 0.00 54.13 54.78 2kl1 s LEU 70 Cb -0.09 -1.61 -0.00 0.00 -0.43 0.00 0.00 46.19 44.06 2kl1 s LEU 70 CO 0.20 0.18 -0.14 0.68 -0.29 0.00 0.00 176.35 176.98 2kl1 s VAL 71 N -1.15 1.20 0.21 1.68 -7.23 -1.26 -0.71 120.40 113.13 2kl1 s VAL 71 Ca 0.18 -0.59 -0.32 0.00 -1.81 0.00 0.00 61.98 59.45 2kl1 s VAL 71 Cb -0.11 -1.04 -0.11 0.00 0.56 0.00 0.00 36.38 35.68 2kl1 s VAL 71 CO 0.11 0.35 1.66 -0.76 -0.31 0.00 0.00 175.10 176.15 2kl1 s LEU 72 N 0.09 4.37 -0.34 1.32 2.01 -1.04 -4.92 118.68 120.16 2kl1 s LEU 72 Ca -0.03 2.81 0.00 0.00 0.01 0.00 0.00 54.13 56.92 2kl1 s LEU 72 Cb -0.10 -3.60 0.14 0.00 0.01 0.00 0.00 46.19 42.63 2kl1 s LEU 72 CO 0.01 -0.92 0.26 -0.54 1.01 0.00 0.00 176.35 176.18 2kl1 s LYS 73 N 0.90 0.49 0.88 1.70 1.02 -1.25 -2.51 119.74 120.98 2kl1 s LYS 73 Ca 0.72 -0.90 -0.12 0.00 0.02 0.00 0.00 55.97 55.69 2kl1 s LYS 73 Cb -0.48 -1.00 0.08 0.00 -0.52 0.00 0.00 37.83 35.91 2kl1 s LYS 73 CO 0.34 -1.15 0.01 -2.30 -0.92 0.00 0.00 175.35 171.33 2kl1 n PRO 74 N 4.46 -1.39 -4.22 -1.68 -0.02 -1.26 -4.64 135.00 126.25 2kl1 n PRO 74 Ca 0.07 -0.41 -0.31 0.00 -2.02 0.00 0.00 63.50 60.84 2kl1 n PRO 74 Cb 0.42 -1.31 -0.09 0.00 -0.02 0.00 0.00 33.50 32.50 2kl1 n PRO 74 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2kl1 s PHE 75 N -2.06 2.94 0.44 6.00 0.08 -1.23 -4.98 117.98 119.18 2kl1 s PHE 75 Ca 0.28 -0.03 0.13 0.00 0.12 0.00 0.00 56.93 57.42 2kl1 s PHE 75 Cb -0.03 -1.55 0.97 0.00 -0.57 0.00 0.00 43.02 41.84 2kl1 s PHE 75 CO 0.30 0.45 2.00 -1.00 -0.10 0.00 0.00 175.22 176.87 2kl1 h PRO 76 N 3.77 0.10 -0.04 0.24 0.13 -1.95 -0.38 132.00 133.87 2kl1 h PRO 76 Ca -0.48 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 2kl1 h PRO 76 Cb 1.17 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2kl1 h PRO 76 CO 0.57 0.22 -0.75 0.45 -0.23 0.00 0.00 178.00 178.26 2kl1 h HIS 77 N 0.10 0.38 -2.19 1.56 3.86 -1.99 -3.37 115.15 113.49 2kl1 h HIS 77 Ca 0.02 -0.18 -0.58 0.00 -1.16 0.00 0.00 60.37 58.47 2kl1 h HIS 77 Cb 0.26 -0.05 -0.40 0.00 1.06 0.00 0.00 27.41 28.28 2kl1 h HIS 77 CO 0.00 0.93 -0.90 0.72 0.86 0.00 0.00 177.93 179.54 2kl1 n HIS 78 N -3.78 1.00 0.33 2.45 8.25 -0.82 -4.95 115.22 117.70 2kl1 n HIS 78 Ca -0.04 -3.76 0.21 0.00 -0.26 0.00 0.00 57.72 53.88 2kl1 n HIS 78 Cb 0.72 -0.35 1.13 0.00 1.12 0.00 0.00 29.99 32.62 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 4.39 0.00 -0.65 -0.41 0.13 -1.26 -0.09 132.00 134.10 2kl1 h PRO 79 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2kl1 h PRO 79 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2kl1 h PRO 79 CO 0.58 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.44 2kl1 n ASN 80 N -3.18 3.81 -3.81 1.44 5.03 -1.26 -4.81 115.26 112.50 2kl1 n ASN 80 Ca -0.03 -2.45 -0.21 0.00 0.87 0.00 0.00 54.58 52.76 2kl1 n ASN 80 Cb 0.10 -0.55 -0.17 0.00 -1.02 0.00 0.00 39.78 38.14 2kl1 n ASN 80 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 2kl1 s GLN 81 N -1.95 0.55 0.50 3.52 2.00 -0.05 -5.13 119.66 119.10 2kl1 s GLN 81 Ca 0.36 0.07 -0.06 0.00 -2.00 0.00 0.00 55.36 53.73 2kl1 s GLN 81 Cb 0.25 -0.80 0.11 0.00 0.80 0.00 0.00 33.01 33.37 2kl1 s GLN 81 CO 0.14 -0.21 0.69 -0.89 -0.50 0.00 0.00 175.29 174.52 2kl1 n ILE 82 N 4.66 0.00 0.00 -2.34 2.08 -1.26 -3.47 119.36 119.02 2kl1 n ILE 82 Ca -0.16 -0.70 0.00 0.00 0.56 0.00 0.00 62.75 62.46 2kl1 n ILE 82 Cb 0.50 -1.47 0.00 0.00 -0.75 0.00 0.00 39.64 37.92 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 0.95 0.00 7.39 0.00 -1.26 -4.88 105.19 107.64 2kl1 n GLY 83 Ca 0.10 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 0.36 0.00 0.99 7.99 -1.26 -3.80 117.00 121.28 2kl1 n LEU 84 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 2kl1 n LEU 84 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2kl1 n LEU 84 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49 2kl1 n GLY 85 N 2.67 0.03 3.83 -0.72 0.00 -1.26 -4.52 105.19 105.23 2kl1 n GLY 85 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2kl1 n GLY 85 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kl1 s VAL 86 N 0.00 2.43 -2.20 1.61 -7.23 -1.26 -4.76 120.40 109.00 2kl1 s VAL 86 Ca 0.00 -1.48 0.30 0.00 -1.81 0.00 0.00 61.98 58.99 2kl1 s VAL 86 Cb 0.00 -2.91 0.77 0.00 0.56 0.00 0.00 36.38 34.79 2kl1 s VAL 86 CO 0.00 0.00 2.04 0.41 -0.31 0.00 0.00 175.10 177.24