#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 4.95 0.00 7.83 6.03 -1.26 -5.06 114.94 127.44 2kl1 s ASN 2 Ca 0.00 0.87 0.00 0.00 -1.03 0.00 0.00 52.86 52.70 2kl1 s ASN 2 Cb 0.00 -1.52 0.00 0.00 -3.03 0.00 0.00 41.25 36.70 2kl1 s ASN 2 CO 0.00 -1.61 0.22 -0.62 -2.03 0.00 0.00 177.10 173.06 2kl1 n GLU 3 N -3.11 0.00 -4.32 3.55 -0.58 -1.26 -4.96 120.64 109.96 2kl1 n GLU 3 Ca 0.07 0.16 -0.18 0.00 -0.42 0.00 0.00 57.16 56.79 2kl1 n GLU 3 Cb 0.59 -0.83 -0.14 0.00 -0.57 0.00 0.00 31.44 30.49 2kl1 n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kl1 s ALA 4 N -3.23 0.70 0.76 0.62 0.00 -1.26 -5.16 121.76 114.18 2kl1 s ALA 4 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 51.96 51.50 2kl1 s ALA 4 Cb 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 23.12 23.05 2kl1 s ALA 4 CO 0.00 0.16 1.07 0.15 0.00 0.00 0.00 175.76 177.15 2kl1 s LYS 5 N -0.28 1.82 0.00 0.00 1.02 -1.26 -5.11 119.74 115.93 2kl1 s LYS 5 Ca 0.03 -0.41 0.00 0.00 0.02 0.00 0.00 55.97 55.61 2kl1 s LYS 5 Cb -0.04 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 2kl1 s LYS 5 CO -0.00 -1.50 0.00 0.41 -0.92 0.00 0.00 175.35 173.34 2kl1 n GLY 6 N -3.07 1.38 3.40 -3.33 0.00 -1.26 -4.78 105.19 97.53 2kl1 n GLY 6 Ca 0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 2kl1 n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kl1 s VAL 7 N 2.91 0.90 -0.05 1.61 -7.23 -1.25 -4.85 120.40 112.45 2kl1 s VAL 7 Ca 0.00 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.18 2kl1 s VAL 7 Cb 0.00 -2.71 0.02 0.00 0.56 0.00 0.00 36.38 34.25 2kl1 s VAL 7 CO 0.00 0.00 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.43 2kl1 s TYR 8 N -3.48 0.84 0.07 2.82 1.51 -1.26 -3.03 117.35 114.81 2kl1 s TYR 8 Ca 0.37 -0.25 -0.31 0.00 -1.01 0.00 0.00 57.07 55.87 2kl1 s TYR 8 Cb 0.08 -0.72 -0.07 0.00 -0.11 0.00 0.00 41.96 41.14 2kl1 s TYR 8 CO 0.15 -0.20 1.42 0.08 -1.11 0.00 0.00 175.55 175.88 2kl1 s VAL 9 N 0.90 3.44 -0.08 0.71 1.01 -0.70 -4.95 120.40 120.73 2kl1 s VAL 9 Ca -0.11 0.96 -0.22 0.00 0.00 0.00 0.00 61.98 62.61 2kl1 s VAL 9 Cb -0.14 -3.62 -0.18 0.00 0.00 0.00 0.00 36.38 32.44 2kl1 s VAL 9 CO 0.00 0.04 0.78 -0.03 0.00 0.00 0.00 175.10 175.89 2kl1 h MET 10 N 7.33 -0.08 -3.85 2.72 4.05 -1.91 -3.26 114.93 119.93 2kl1 h MET 10 Ca -0.41 0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 58.92 2kl1 h MET 10 Cb 1.20 0.02 -0.12 0.00 -0.80 0.00 0.00 31.60 31.89 2kl1 h MET 10 CO 0.88 0.50 -0.30 -1.54 0.23 0.00 0.00 176.91 176.68 2kl1 s SER 11 N -5.77 0.02 -0.04 1.39 1.04 -1.26 -4.78 113.70 104.30 2kl1 s SER 11 Ca -0.14 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 55.49 2kl1 s SER 11 Cb -0.01 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 2kl1 s SER 11 CO 0.51 -0.90 -0.16 0.54 0.98 0.00 0.00 173.24 174.21 2kl1 s VAL 12 N -3.96 1.37 0.13 5.02 0.11 -1.26 -4.66 120.40 117.15 2kl1 s VAL 12 Ca 0.17 -0.68 0.04 0.00 -2.93 0.00 0.00 61.98 58.58 2kl1 s VAL 12 Cb 0.03 -1.18 -0.04 0.00 -1.53 0.00 0.00 36.38 33.66 2kl1 s VAL 12 CO -0.00 0.40 0.13 -0.76 -3.33 0.00 0.00 175.10 171.53 2kl1 s LEU 13 N 0.06 3.84 0.72 2.54 1.02 -1.26 -5.02 118.68 120.58 2kl1 s LEU 13 Ca -0.04 -0.06 -0.12 0.00 0.02 0.00 0.00 54.13 53.93 2kl1 s LEU 13 Cb -0.11 -2.48 0.03 0.00 0.02 0.00 0.00 46.19 43.65 2kl1 s LEU 13 CO 0.02 0.11 1.08 -2.16 0.02 0.00 0.00 176.35 175.42 2kl1 s PRO 14 N -2.84 2.62 -1.46 1.29 0.04 -1.26 -3.65 135.00 129.74 2kl1 s PRO 14 Ca 0.31 1.15 -0.03 0.00 0.04 0.00 0.00 61.00 62.46 2kl1 s PRO 14 Cb -0.11 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2kl1 s PRO 14 CO 0.23 -1.36 0.26 -1.71 0.04 0.00 0.00 177.00 174.47 2kl1 n ASN 15 N -3.11 -5.16 -4.81 6.66 5.15 -1.26 -4.97 115.26 107.76 2kl1 n ASN 15 Ca 0.09 -0.11 -0.22 0.00 -0.60 0.00 0.00 54.58 53.74 2kl1 n ASN 15 Cb 0.53 -4.27 -0.05 0.00 -0.53 0.00 0.00 39.78 35.47 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 -5.40 2.80 0.51 1.20 -1.94 -1.24 -5.01 119.30 110.23 2kl1 s MET 16 Ca 0.16 -1.16 0.18 0.00 -1.71 0.00 0.00 55.69 53.16 2kl1 s MET 16 Cb -0.07 -2.49 1.27 0.00 2.01 0.00 0.00 34.83 35.55 2kl1 s MET 16 CO 0.19 0.33 2.09 -1.35 -0.01 0.00 0.00 175.02 176.27 2kl1 h PRO 17 N 1.49 0.05 0.00 2.03 0.11 -1.91 -2.22 132.00 131.55 2kl1 h PRO 17 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kl1 h PRO 17 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2kl1 h PRO 17 CO 0.60 0.03 -1.29 0.00 -0.21 0.00 0.00 178.00 177.14 2kl1 n ALA 18 N -2.56 3.73 -1.68 -0.75 0.00 -1.26 -4.72 120.51 113.27 2kl1 n ALA 18 Ca 0.02 -0.51 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 2kl1 n ALA 18 Cb 0.25 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.83 1.74 -0.03 0.00 0.00 -0.84 -0.35 120.51 119.20 2kl1 n ALA 19 Ca 0.01 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2kl1 n ALA 19 Cb 0.44 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 17.28 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 4.35 0.51 0.00 0.00 0.00 -1.26 -4.80 105.19 103.99 2kl1 n GLY 20 Ca 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 2.24 -4.20 1.61 1.74 0.52 -5.08 116.66 111.49 2kl1 n ARG 21 Ca 0.00 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.95 2kl1 n ARG 21 Cb 0.00 -1.01 -0.10 0.00 -1.02 0.00 0.00 32.46 30.33 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 -3.59 1.19 0.20 0.55 1.43 0.03 -5.06 118.68 113.42 2kl1 s LEU 22 Ca -0.00 -1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 51.51 2kl1 s LEU 22 Cb 0.00 0.40 0.03 0.00 0.03 0.00 0.00 46.19 46.65 2kl1 s LEU 22 CO 0.01 -0.86 0.54 -1.61 0.23 0.00 0.00 176.35 174.67 2kl1 s GLU 23 N -4.11 1.41 0.33 1.70 2.02 -1.26 -4.69 118.70 114.10 2kl1 s GLU 23 Ca 0.39 -0.87 -0.29 0.00 0.02 0.00 0.00 54.97 54.22 2kl1 s GLU 23 Cb 0.07 0.53 -0.12 0.00 0.10 0.00 0.00 34.13 34.71 2kl1 s GLU 23 CO 0.13 -0.60 1.50 0.00 0.02 0.00 0.00 175.26 176.31 2kl1 n ALA 24 N -0.35 2.22 0.00 5.21 0.00 -1.26 -2.44 120.51 123.89 2kl1 n ALA 24 Ca -0.10 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2kl1 n ALA 24 Cb 0.62 -2.41 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 1.28 2.15 3.79 0.00 0.00 -1.23 -5.07 105.19 106.11 2kl1 n GLY 25 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.66 5.63 0.14 1.61 -4.77 -1.02 -4.81 116.67 112.79 2kl1 s ASP 26 Ca 0.00 1.91 0.10 0.00 -3.30 0.00 0.00 52.55 51.26 2kl1 s ASP 26 Cb 0.00 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.25 2kl1 s ASP 26 CO 0.00 -1.27 -0.24 0.00 0.70 0.00 0.00 175.17 174.36 2kl1 s ARG 27 N -3.95 1.34 -0.17 2.11 1.70 -1.26 -1.72 118.95 117.00 2kl1 s ARG 27 Ca 0.66 -1.35 -0.13 0.00 -0.47 0.00 0.00 55.73 54.44 2kl1 s ARG 27 Cb -0.18 -1.70 -0.05 0.00 -0.57 0.00 0.00 34.95 32.45 2kl1 s ARG 27 CO 0.36 0.39 0.28 0.42 -1.08 0.00 0.00 175.30 175.66 2kl1 s ILE 28 N -1.31 5.31 -0.14 4.99 -1.09 -1.17 -2.56 121.20 125.23 2kl1 s ILE 28 Ca 0.14 0.50 0.19 0.00 -2.23 0.00 0.00 60.65 59.24 2kl1 s ILE 28 Cb -0.09 -3.61 -0.26 0.00 -1.58 0.00 0.00 42.46 36.92 2kl1 s ILE 28 CO 0.06 0.38 0.27 0.00 -1.23 0.00 0.00 174.94 174.42 2kl1 n ALA 29 N 3.71 1.84 -3.60 9.38 0.00 -0.78 -3.81 120.51 127.25 2kl1 n ALA 29 Ca -0.12 -1.04 -0.07 0.00 0.00 0.00 0.00 53.44 52.21 2kl1 n ALA 29 Cb 0.52 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.77 -2.01 -0.10 0.00 0.00 -1.19 -2.99 121.76 112.69 2kl1 s ALA 30 Ca -0.09 1.68 0.01 0.00 0.00 0.00 0.00 51.96 53.56 2kl1 s ALA 30 Cb 0.08 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.29 2kl1 s ALA 30 CO 0.85 -0.32 -0.11 0.42 0.00 0.00 0.00 175.76 176.60 2kl1 s ILE 31 N -1.23 1.22 -1.32 0.00 1.01 -0.11 0.04 121.20 120.80 2kl1 s ILE 31 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.23 2kl1 s ILE 31 Cb -0.01 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2kl1 s ILE 31 CO -0.03 0.39 0.00 -0.67 0.00 0.00 0.00 174.94 174.63 2kl1 n ASP 32 N 4.49 -4.70 0.00 3.58 2.03 -0.08 -0.01 116.55 121.86 2kl1 n ASP 32 Ca -0.17 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2kl1 n ASP 32 Cb 0.51 -3.81 0.00 0.00 -0.72 0.00 0.00 41.12 37.10 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 0.00 0.49 3.49 0.27 0.00 -1.26 -4.99 105.19 103.19 2kl1 n GLY 33 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.75 3.15 0.32 1.61 -1.52 0.99 -5.06 119.66 118.40 2kl1 s GLN 34 Ca 0.00 -0.69 -0.29 0.00 -1.95 0.00 0.00 55.36 52.43 2kl1 s GLN 34 Cb 0.00 -3.95 -0.12 0.00 -0.22 0.00 0.00 33.01 28.72 2kl1 s GLN 34 CO 0.00 -0.84 1.46 -2.30 -0.25 0.00 0.00 175.29 173.36 2kl1 n PRO 35 N 5.66 2.44 -3.32 2.91 -0.02 -1.26 -0.94 135.00 140.47 2kl1 n PRO 35 Ca -0.07 0.86 -0.44 0.00 -2.02 0.00 0.00 63.50 61.84 2kl1 n PRO 35 Cb 0.48 -2.56 -0.08 0.00 -0.02 0.00 0.00 33.50 31.32 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 -0.57 5.11 -0.04 4.25 -1.09 -1.16 -4.87 121.20 122.82 2kl1 s ILE 36 Ca 0.60 -0.72 0.17 0.00 -2.23 0.00 0.00 60.65 58.46 2kl1 s ILE 36 Cb -0.53 -4.14 -0.26 0.00 -1.58 0.00 0.00 42.46 35.95 2kl1 s ILE 36 CO 0.56 -0.58 0.33 -3.20 -1.23 0.00 0.00 174.94 170.82 2kl1 n ASN 37 N 5.55 1.05 -3.96 3.58 5.15 -1.26 -4.36 115.26 121.00 2kl1 n ASN 37 Ca -0.10 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 53.80 2kl1 n ASN 37 Cb 0.45 1.65 -0.08 0.00 -0.53 0.00 0.00 39.78 41.27 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 -3.08 0.16 0.33 -0.44 -4.23 -1.26 -4.91 115.64 102.21 2kl1 s THR 38 Ca -0.07 -1.46 0.28 0.00 -1.18 0.00 0.00 61.69 59.27 2kl1 s THR 38 Cb 0.10 -1.51 0.29 0.00 1.34 0.00 0.00 72.50 72.73 2kl1 s THR 38 CO 0.71 -0.71 2.01 0.77 -0.54 0.00 0.00 174.62 176.87 2kl1 h SER 39 N 2.86 0.00 -0.12 3.99 4.64 -1.95 -2.21 113.55 120.75 2kl1 h SER 39 Ca -0.34 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.92 2kl1 h SER 39 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 2kl1 h SER 39 CO 0.59 0.13 -0.11 -0.33 -0.87 0.00 0.00 176.83 176.24 2kl1 h GLU 40 N 0.00 0.46 -0.34 4.77 5.08 -2.00 -2.15 114.58 120.40 2kl1 h GLU 40 Ca -0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2kl1 h GLU 40 Cb 0.45 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2kl1 h GLU 40 CO 0.02 0.58 0.23 0.37 -1.00 0.00 0.00 179.01 179.20 2kl1 h GLN 41 N 0.43 0.44 0.00 2.33 5.75 -1.81 -0.40 115.11 121.86 2kl1 h GLN 41 Ca 0.08 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.45 2kl1 h GLN 41 Cb 0.46 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 2kl1 h GLN 41 CO 0.03 0.29 -0.49 0.82 -2.65 0.00 0.00 178.83 176.83 2kl1 h ILE 42 N 0.46 1.17 -0.44 2.39 1.08 -1.50 -2.91 117.51 117.76 2kl1 h ILE 42 Ca 0.13 -1.78 -0.07 0.00 -0.39 0.00 0.00 64.86 62.75 2kl1 h ILE 42 Cb -0.04 2.01 -0.02 0.00 -3.07 0.00 0.00 36.82 35.70 2kl1 h ILE 42 CO -0.03 0.48 0.01 0.58 -0.69 0.00 0.00 178.15 178.50 2kl1 h VAL 43 N 0.00 1.26 -0.72 1.67 2.07 -0.96 -2.50 116.25 117.07 2kl1 h VAL 43 Ca -0.00 -1.01 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 2kl1 h VAL 43 Cb 0.97 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 2kl1 h VAL 43 CO 0.06 0.35 0.32 -1.28 0.02 0.00 0.00 177.57 177.04 2kl1 h SER 44 N 0.61 0.96 0.44 0.57 0.87 -1.38 -1.66 113.55 113.96 2kl1 h SER 44 Ca 0.13 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2kl1 h SER 44 Cb 0.47 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 2kl1 h SER 44 CO 0.02 0.84 -0.43 0.22 -0.53 0.00 0.00 176.83 176.95 2kl1 h TYR 45 N 1.01 -1.17 -0.74 2.24 3.20 -1.30 0.67 116.97 120.87 2kl1 h TYR 45 Ca 0.24 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.17 2kl1 h TYR 45 Cb 0.16 0.45 -0.05 0.00 1.54 0.00 0.00 36.73 38.83 2kl1 h TYR 45 CO 0.01 -0.59 0.45 0.28 -1.64 0.00 0.00 178.16 176.67 2kl1 h VAL 46 N -0.88 1.03 -0.47 1.81 2.07 -1.38 -0.48 116.25 117.96 2kl1 h VAL 46 Ca -0.04 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 2kl1 h VAL 46 Cb 0.77 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2kl1 h VAL 46 CO -0.06 0.15 0.20 -0.09 0.02 0.00 0.00 177.57 177.80 2kl1 h ARG 47 N 0.84 0.69 0.82 1.57 2.43 -0.87 -3.18 114.38 116.67 2kl1 h ARG 47 Ca 0.32 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 2kl1 h ARG 47 Cb 0.13 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2kl1 h ARG 47 CO -0.16 0.60 -0.39 0.93 -1.51 0.00 0.00 179.97 179.44 2kl1 h GLU 48 N 0.61 -1.06 -7.56 0.20 5.08 0.11 -3.44 114.58 108.53 2kl1 h GLU 48 Ca 0.16 0.07 -0.46 0.00 -1.00 0.00 0.00 59.36 58.13 2kl1 h GLU 48 Cb 0.16 0.24 0.10 0.00 0.50 0.00 0.00 28.75 29.75 2kl1 h GLU 48 CO -0.02 -0.70 0.36 0.15 -1.00 0.00 0.00 179.01 177.80 2kl1 s LYS 49 N -5.99 1.88 0.08 2.33 -0.14 -0.26 -5.10 119.74 112.54 2kl1 s LYS 49 Ca -0.19 -0.05 0.01 0.00 -1.36 0.00 0.00 55.97 54.39 2kl1 s LYS 49 Cb 0.03 -2.00 -0.01 0.00 -1.68 0.00 0.00 37.83 34.17 2kl1 s LYS 49 CO 0.61 -1.59 0.05 0.00 -0.76 0.00 0.00 175.35 173.66 2kl1 n GLN 50 N -3.26 0.38 -2.01 1.68 10.64 -1.26 -4.77 117.38 118.78 2kl1 n GLN 50 Ca 0.09 -0.78 -0.42 0.00 -1.83 0.00 0.00 57.00 54.06 2kl1 n GLN 50 Cb 0.61 0.56 -0.03 0.00 -0.86 0.00 0.00 30.24 30.51 2kl1 n GLN 50 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2kl1 s ALA 51 N -2.29 3.71 0.00 2.61 0.00 -1.26 -2.03 121.76 122.50 2kl1 s ALA 51 Ca 0.08 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2kl1 s ALA 51 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2kl1 s ALA 51 CO 0.05 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2kl1 n GLY 52 N 3.68 0.41 3.65 0.00 0.00 -1.14 -5.02 105.19 106.78 2kl1 n GLY 52 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.35 1.78 -0.09 1.61 2.15 -0.86 -4.85 116.67 114.05 2kl1 s ASP 53 Ca 0.00 0.81 -0.04 0.00 0.43 0.00 0.00 52.55 53.75 2kl1 s ASP 53 Cb 0.00 -1.20 0.05 0.00 -0.30 0.00 0.00 42.92 41.46 2kl1 s ASP 53 CO 0.00 -3.61 0.20 -0.13 -0.17 0.00 0.00 175.17 171.46 2kl1 s ARG 54 N -5.28 0.14 -0.04 4.34 0.52 -1.26 -3.01 118.95 114.36 2kl1 s ARG 54 Ca 0.69 0.50 0.02 0.00 -0.52 0.00 0.00 55.73 56.42 2kl1 s ARG 54 Cb -0.13 -0.15 0.01 0.00 0.52 0.00 0.00 34.95 35.20 2kl1 s ARG 54 CO 0.56 -0.19 -0.07 0.14 0.02 0.00 0.00 175.30 175.76 2kl1 s VAL 55 N 1.46 0.70 -0.64 3.52 -7.23 -1.10 -5.06 120.40 112.06 2kl1 s VAL 55 Ca -0.07 -0.27 -0.28 0.00 -1.81 0.00 0.00 61.98 59.56 2kl1 s VAL 55 Cb -0.11 -0.66 0.02 0.00 0.56 0.00 0.00 36.38 36.19 2kl1 s VAL 55 CO -0.07 0.24 1.34 -0.13 -0.31 0.00 0.00 175.10 176.17 2kl1 s ARG 56 N 0.52 3.26 -0.09 4.82 1.81 -1.26 -3.35 118.95 124.65 2kl1 s ARG 56 Ca -0.08 0.15 -0.13 0.00 -1.72 0.00 0.00 55.73 53.95 2kl1 s ARG 56 Cb -0.12 -4.14 -0.05 0.00 -0.45 0.00 0.00 34.95 30.20 2kl1 s ARG 56 CO 0.01 -2.02 0.32 0.08 -0.68 0.00 0.00 175.30 173.01 2kl1 s VAL 57 N 5.90 5.23 -0.10 3.52 1.01 -0.24 -0.90 120.40 134.81 2kl1 s VAL 57 Ca 0.45 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 63.02 2kl1 s VAL 57 Cb -0.09 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2kl1 s VAL 57 CO 0.21 0.49 0.04 -0.89 0.00 0.00 0.00 175.10 174.95 2kl1 s THR 58 N -0.36 4.62 0.05 3.92 2.01 0.11 0.22 115.64 126.21 2kl1 s THR 58 Ca 0.20 -0.12 -0.12 0.00 0.31 0.00 0.00 61.69 61.95 2kl1 s THR 58 Cb -0.14 -2.98 0.01 0.00 0.01 0.00 0.00 72.50 69.40 2kl1 s THR 58 CO 0.08 0.59 0.27 0.72 -0.69 0.00 0.00 174.62 175.59 2kl1 s PHE 59 N -0.78 -0.05 -0.11 4.92 -0.71 -0.76 -1.87 117.98 118.62 2kl1 s PHE 59 Ca 0.12 -0.13 -0.01 0.00 -1.04 0.00 0.00 56.93 55.87 2kl1 s PHE 59 Cb -0.12 0.06 -0.03 0.00 -1.21 0.00 0.00 43.02 41.72 2kl1 s PHE 59 CO 0.03 -0.49 -0.06 0.42 -1.34 0.00 0.00 175.22 173.78 2kl1 s ILE 60 N -2.63 3.72 -0.06 -4.49 1.09 -1.06 -1.55 121.20 116.23 2kl1 s ILE 60 Ca -0.04 -0.44 -0.02 0.00 -1.10 0.00 0.00 60.65 59.04 2kl1 s ILE 60 Cb -0.01 -2.57 0.04 0.00 -1.06 0.00 0.00 42.46 38.86 2kl1 s ILE 60 CO -0.04 0.55 0.11 -0.60 -0.10 0.00 0.00 174.94 174.85 2kl1 s ARG 61 N -0.19 0.00 -1.51 2.79 3.52 0.29 -4.05 118.95 119.80 2kl1 s ARG 61 Ca 0.03 0.41 -0.07 0.00 -0.13 0.00 0.00 55.73 55.97 2kl1 s ARG 61 Cb -0.13 -0.31 0.06 0.00 -1.56 0.00 0.00 34.95 33.00 2kl1 s ARG 61 CO 0.03 -0.26 0.57 -0.25 -0.81 0.00 0.00 175.30 174.57 2kl1 n ASP 62 N 4.89 -1.56 0.00 -2.12 8.00 -1.26 0.13 116.55 124.63 2kl1 n ASP 62 Ca -0.13 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.38 2kl1 n ASP 62 Cb 0.50 -3.00 0.00 0.00 -0.02 0.00 0.00 41.12 38.61 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 -4.42 -0.82 -3.88 -1.24 0.63 -1.26 -4.96 116.66 100.71 2kl1 n ARG 63 Ca -0.16 0.21 -0.35 0.00 -0.92 0.00 0.00 57.85 56.62 2kl1 n ARG 63 Cb 0.61 -4.07 -0.14 0.00 0.45 0.00 0.00 32.46 29.32 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 -1.03 3.03 0.11 -0.14 1.02 0.35 -5.10 119.74 117.99 2kl1 s LYS 64 Ca 0.00 -0.86 -0.15 0.00 0.02 0.00 0.00 55.97 54.97 2kl1 s LYS 64 Cb 0.00 -3.11 -0.07 0.00 -0.52 0.00 0.00 37.83 34.13 2kl1 s LYS 64 CO 0.00 -0.37 0.53 1.14 -0.92 0.00 0.00 175.35 175.73 2kl1 s GLN 65 N 1.41 4.02 -0.04 1.68 -2.07 -1.26 -0.55 119.66 122.84 2kl1 s GLN 65 Ca 0.02 0.53 -0.19 0.00 -1.82 0.00 0.00 55.36 53.90 2kl1 s GLN 65 Cb -0.16 -3.04 0.04 0.00 -1.09 0.00 0.00 33.01 28.75 2kl1 s GLN 65 CO -0.02 0.54 0.41 -1.01 -1.32 0.00 0.00 175.29 173.90 2kl1 s HIS 66 N -1.33 -0.33 -0.15 9.60 3.76 -0.59 -4.99 115.29 121.25 2kl1 s HIS 66 Ca 0.34 0.60 -0.19 0.00 -0.15 0.00 0.00 55.06 55.66 2kl1 s HIS 66 Cb -0.16 0.18 -0.04 0.00 1.11 0.00 0.00 32.58 33.67 2kl1 s HIS 66 CO 0.18 -0.42 0.53 -1.21 -0.85 0.00 0.00 174.74 172.98 2kl1 s GLU 67 N -1.06 4.28 -0.21 1.40 2.02 -1.26 -1.83 118.70 122.04 2kl1 s GLU 67 Ca -0.11 0.49 -0.06 0.00 0.02 0.00 0.00 54.97 55.31 2kl1 s GLU 67 Cb -0.04 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.66 2kl1 s GLU 67 CO 0.05 -0.01 0.03 0.00 0.02 0.00 0.00 175.26 175.35 2kl1 s ALA 68 N 1.17 3.14 -0.62 5.21 0.00 0.59 -4.91 121.76 126.33 2kl1 s ALA 68 Ca 0.27 -0.98 -0.23 0.00 0.00 0.00 0.00 51.96 51.02 2kl1 s ALA 68 Cb -0.16 -1.88 0.06 0.00 0.00 0.00 0.00 23.12 21.14 2kl1 s ALA 68 CO 0.11 -0.17 0.97 -1.21 0.00 0.00 0.00 175.76 175.46 2kl1 s GLU 69 N 1.03 3.19 0.13 0.00 2.02 -1.26 -1.08 118.70 122.73 2kl1 s GLU 69 Ca 0.03 -0.60 0.08 0.00 0.02 0.00 0.00 54.97 54.50 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 0.02 -1.71 -0.10 -0.51 0.02 0.00 0.00 175.26 172.98 2kl1 s LEU 70 N 4.10 3.02 -0.08 1.80 1.43 -1.21 -4.78 118.68 122.97 2kl1 s LEU 70 Ca 0.26 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 2kl1 s LEU 70 Cb -0.15 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.29 2kl1 s LEU 70 CO 0.14 0.16 -0.19 -0.69 0.23 0.00 0.00 176.35 176.00 2kl1 s VAL 71 N -1.34 1.63 -0.05 -1.59 1.01 -1.26 -2.72 120.40 116.07 2kl1 s VAL 71 Ca 0.22 -0.77 -0.33 0.00 0.00 0.00 0.00 61.98 61.10 2kl1 s VAL 71 Cb -0.10 -1.43 -0.11 0.00 0.00 0.00 0.00 36.38 34.74 2kl1 s VAL 71 CO 0.14 0.46 1.91 0.18 0.00 0.00 0.00 175.10 177.80 2kl1 n LEU 72 N 3.59 3.69 -4.07 3.92 7.99 -1.16 -4.75 117.00 126.21 2kl1 n LEU 72 Ca -0.20 0.95 -0.32 0.00 -0.01 0.00 0.00 56.01 56.43 2kl1 n LEU 72 Cb 0.52 -1.42 -0.16 0.00 -0.11 0.00 0.00 43.42 42.25 2kl1 n LEU 72 CO 0.27 0.03 -0.49 -0.75 -1.51 0.00 0.00 177.39 174.93 2kl1 s LYS 73 N 4.18 2.53 1.11 3.23 2.20 -1.26 -2.88 119.74 128.85 2kl1 s LYS 73 Ca 0.91 -0.87 -0.18 0.00 -0.36 0.00 0.00 55.97 55.47 2kl1 s LYS 73 Cb -0.61 -2.51 0.26 0.00 -1.51 0.00 0.00 37.83 33.46 2kl1 s LYS 73 CO 0.48 -0.32 1.23 -1.25 -0.36 0.00 0.00 175.35 175.14 2kl1 s PRO 74 N 1.32 -0.50 0.29 4.03 0.04 -1.26 -3.50 135.00 135.42 2kl1 s PRO 74 Ca 0.01 -0.34 -0.09 0.00 0.04 0.00 0.00 61.00 60.62 2kl1 s PRO 74 Cb -0.15 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.62 2kl1 s PRO 74 CO -0.10 -3.19 0.61 -0.06 0.04 0.00 0.00 177.00 174.30 2kl1 s PHE 75 N -3.50 3.44 -0.02 0.56 0.40 -1.16 -4.93 117.98 112.77 2kl1 s PHE 75 Ca 0.74 0.88 -0.18 0.00 -0.60 0.00 0.00 56.93 57.77 2kl1 s PHE 75 Cb -0.05 -2.28 -0.10 0.00 0.51 0.00 0.00 43.02 41.10 2kl1 s PHE 75 CO 0.55 0.15 0.75 -1.00 0.70 0.00 0.00 175.22 176.37 2kl1 h PRO 76 N 2.02 -0.62 -0.62 0.24 0.13 -1.97 -2.14 132.00 129.05 2kl1 h PRO 76 Ca -0.47 0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.64 2kl1 h PRO 76 Cb 1.18 0.14 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 2kl1 h PRO 76 CO 0.67 -0.41 0.08 0.72 -0.23 0.00 0.00 178.00 178.82 2kl1 n HIS 77 N -5.09 2.19 -2.66 1.56 8.25 -1.26 -4.36 115.22 113.85 2kl1 n HIS 77 Ca -0.08 -0.87 -0.04 0.00 -0.26 0.00 0.00 57.72 56.47 2kl1 n HIS 77 Cb 0.25 -0.57 0.09 0.00 1.12 0.00 0.00 29.99 30.89 2kl1 n HIS 77 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kl1 n HIS 78 N 0.39 -1.81 0.02 4.41 -0.00 -1.25 -4.98 115.22 112.00 2kl1 n HIS 78 Ca 0.32 -1.49 0.01 0.00 -0.00 0.00 0.00 57.72 56.55 2kl1 n HIS 78 Cb 1.26 1.43 0.05 0.00 -0.00 0.00 0.00 29.99 32.73 2kl1 n HIS 78 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2kl1 n PRO 79 N -0.90 0.01 0.00 1.57 -0.04 -0.80 -2.10 135.00 132.74 2kl1 n PRO 79 Ca -0.12 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2kl1 n PRO 79 Cb 0.80 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2kl1 n PRO 79 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2kl1 n ASN 80 N -1.44 0.00 -4.24 3.54 2.85 -1.26 -4.46 115.26 110.25 2kl1 n ASN 80 Ca -0.00 0.35 -0.16 0.00 -0.11 0.00 0.00 54.58 54.65 2kl1 n ASN 80 Cb 0.17 -0.35 -0.11 0.00 1.24 0.00 0.00 39.78 40.73 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 -2.66 1.01 -0.02 1.20 1.11 -0.89 -5.08 119.66 114.32 2kl1 s GLN 81 Ca 0.00 -1.29 -0.03 0.00 0.01 0.00 0.00 55.36 54.04 2kl1 s GLN 81 Cb 0.00 -0.77 0.00 0.00 -1.01 0.00 0.00 33.01 31.23 2kl1 s GLN 81 CO 0.00 0.13 0.08 0.42 0.01 0.00 0.00 175.29 175.93 2kl1 s ILE 82 N -2.53 0.02 0.00 1.08 1.01 -1.26 -2.97 121.20 116.55 2kl1 s ILE 82 Ca 0.11 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.55 2kl1 s ILE 82 Cb -0.02 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.25 2kl1 s ILE 82 CO 0.02 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.46 2kl1 n GLY 83 N 2.64 0.49 0.30 6.18 0.00 -1.23 -4.86 105.19 108.73 2kl1 n GLY 83 Ca -0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 2kl1 n GLY 83 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kl1 h LEU 84 N 0.00 1.05 -0.68 0.99 5.85 -1.87 -3.24 115.31 117.40 2kl1 h LEU 84 Ca 0.00 -0.31 0.17 0.00 0.84 0.00 0.00 57.88 58.59 2kl1 h LEU 84 Cb 0.12 -0.28 -0.13 0.00 0.37 0.00 0.00 40.66 40.74 2kl1 h LEU 84 CO 0.00 1.10 -0.03 0.61 -0.34 0.00 0.00 178.44 179.77 2kl1 n GLY 85 N -0.42 -0.99 3.65 3.75 0.00 -1.26 -4.35 105.19 105.57 2kl1 n GLY 85 Ca 0.03 0.69 -0.25 0.00 0.00 0.00 0.00 46.02 46.49 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 -5.65 3.58 -2.00 1.61 1.01 -1.22 -4.88 120.40 112.85 2kl1 s VAL 86 Ca -0.09 -1.66 0.24 0.00 0.00 0.00 0.00 61.98 60.47 2kl1 s VAL 86 Cb 0.20 -2.85 0.68 0.00 0.00 0.00 0.00 36.38 34.40 2kl1 s VAL 86 CO 0.53 -0.24 1.79 1.07 0.00 0.00 0.00 175.10 178.25