#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klm n LYS 2 N 0.00 2.30 -0.40 3.17 5.02 -1.26 -5.01 118.16 121.99 2klm n LYS 2 Ca 0.00 -2.50 0.05 0.00 -2.02 0.00 0.00 58.31 53.84 2klm n LYS 2 Cb 0.00 -2.00 -0.02 0.00 -0.02 0.00 0.00 35.03 33.00 2klm n LYS 2 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2klm n LYS 3 N -0.18 -0.83 -3.22 1.97 3.00 -1.26 -4.82 118.16 112.82 2klm n LYS 3 Ca 0.47 0.58 -0.39 0.00 -0.00 0.00 0.00 58.31 58.97 2klm n LYS 3 Cb 0.58 -1.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.55 2klm n LYS 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2klm s VAL 4 N -1.77 4.76 -0.01 3.15 0.11 -1.26 -3.89 120.40 121.50 2klm s VAL 4 Ca 0.00 1.27 0.01 0.00 -2.93 0.00 0.00 61.98 60.34 2klm s VAL 4 Cb 0.00 -3.93 -0.02 0.00 -1.53 0.00 0.00 36.38 30.90 2klm s VAL 4 CO 0.00 0.50 0.02 1.33 -3.33 0.00 0.00 175.10 173.62 2klm n VAL 5 N 2.06 0.04 -3.82 2.04 0.24 -1.02 -4.94 118.33 112.93 2klm n VAL 5 Ca -0.09 -0.04 -0.12 0.00 -2.04 0.00 0.00 64.34 62.05 2klm n VAL 5 Cb 0.51 -0.31 -0.11 0.00 -1.47 0.00 0.00 33.84 32.45 2klm n VAL 5 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2klm s ALA 6 N -2.06 -0.46 -0.03 2.33 0.00 -0.75 -5.04 121.76 115.76 2klm s ALA 6 Ca -0.01 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.33 2klm s ALA 6 Cb 0.01 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.95 2klm s ALA 6 CO 0.05 -0.13 -0.06 0.54 0.00 0.00 0.00 175.76 176.16 2klm s VAL 7 N -0.35 0.60 -0.63 0.00 0.11 -1.26 0.11 120.40 118.98 2klm s VAL 7 Ca -0.04 -0.22 -0.07 0.00 -2.93 0.00 0.00 61.98 58.72 2klm s VAL 7 Cb -0.03 -0.58 0.16 0.00 -1.53 0.00 0.00 36.38 34.40 2klm s VAL 7 CO 0.01 0.22 0.49 -0.69 -3.33 0.00 0.00 175.10 171.80 2klm s VAL 8 N 0.54 4.25 -0.33 2.04 1.01 -0.62 -4.86 120.40 122.42 2klm s VAL 8 Ca -0.07 -2.58 -0.27 0.00 0.00 0.00 0.00 61.98 59.06 2klm s VAL 8 Cb -0.11 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.55 2klm s VAL 8 CO 0.00 -0.89 0.96 -0.75 0.00 0.00 0.00 175.10 174.43 2klm s LYS 9 N 0.32 3.98 0.08 2.72 2.20 -1.26 -1.57 119.74 126.20 2klm s LYS 9 Ca 0.15 0.82 -0.08 0.00 -0.36 0.00 0.00 55.97 56.49 2klm s LYS 9 Cb -0.19 -3.75 0.03 0.00 -1.51 0.00 0.00 37.83 32.41 2klm s LYS 9 CO -0.04 -0.85 0.39 1.47 -0.36 0.00 0.00 175.35 175.95 2klm n LEU 10 N 6.67 0.00 -4.84 5.43 -0.00 -0.60 -5.01 117.00 118.65 2klm n LEU 10 Ca 0.09 -0.60 -0.36 0.00 -0.00 0.00 0.00 56.01 55.14 2klm n LEU 10 Cb 0.48 1.11 -0.06 0.00 -0.00 0.00 0.00 43.42 44.95 2klm n LEU 10 CO 0.57 -0.20 0.21 -1.10 -0.00 0.00 0.00 177.39 176.87 2klm s GLN 11 N -2.02 3.99 -0.54 1.47 1.11 -1.26 -1.51 119.66 120.89 2klm s GLN 11 Ca 0.09 0.49 0.04 0.00 0.01 0.00 0.00 55.36 55.98 2klm s GLN 11 Cb -0.01 -3.01 0.14 0.00 -1.01 0.00 0.00 33.01 29.12 2klm s GLN 11 CO 0.02 0.53 0.32 -1.17 0.01 0.00 0.00 175.29 175.00 2klm s LEU 12 N -1.75 3.86 -0.17 2.90 1.98 0.03 -4.86 118.68 120.67 2klm s LEU 12 Ca 0.35 -3.14 -0.29 0.00 -2.89 0.00 0.00 54.13 48.16 2klm s LEU 12 Cb -0.16 -1.41 -0.04 0.00 0.66 0.00 0.00 46.19 45.24 2klm s LEU 12 CO 0.18 -0.20 1.82 -2.84 -1.89 0.00 0.00 176.35 173.42 2klm s PRO 13 N -0.41 3.72 0.41 0.98 0.02 -1.26 -1.94 135.00 136.52 2klm s PRO 13 Ca 0.20 1.93 -0.23 0.00 0.02 0.00 0.00 61.00 62.92 2klm s PRO 13 Cb -0.18 -4.13 -0.09 0.00 0.02 0.00 0.00 34.50 30.12 2klm s PRO 13 CO -0.05 -1.40 1.05 0.00 -0.33 0.00 0.00 177.00 176.27 2klm s ALA 14 N 5.72 3.05 -1.16 -1.55 0.00 0.28 -1.48 121.76 126.63 2klm s ALA 14 Ca 0.81 0.70 -0.15 0.00 0.00 0.00 0.00 51.96 53.32 2klm s ALA 14 Cb -0.30 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 2klm s ALA 14 CO 0.33 -0.25 0.78 0.41 0.00 0.00 0.00 175.76 177.03 2klm n GLY 15 N 0.26 -0.90 0.00 0.00 0.00 -1.26 -1.95 105.19 101.34 2klm n GLY 15 Ca 0.06 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2klm n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2klm n LYS 16 N -4.06 0.00 -1.91 1.61 4.76 -1.23 -4.74 118.16 112.58 2klm n LYS 16 Ca -0.12 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 54.96 2klm n LYS 16 Cb 0.61 0.00 0.05 0.00 -1.84 0.00 0.00 35.03 33.85 2klm n LYS 16 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2klm s ALA 17 N 0.00 2.48 0.24 7.82 0.00 -0.55 -5.00 121.76 126.76 2klm s ALA 17 Ca 0.00 1.05 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 2klm s ALA 17 Cb 0.00 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.68 2klm s ALA 17 CO 0.00 -1.31 0.71 0.95 0.00 0.00 0.00 175.76 176.11 2klm s THR 18 N -1.57 0.00 0.00 0.00 -4.23 -1.26 -5.02 115.64 103.56 2klm s THR 18 Ca 0.78 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2klm s THR 18 Cb -0.32 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 71.77 2klm s THR 18 CO 0.35 0.00 0.39 -2.65 -0.54 0.00 0.00 174.62 172.17 2klm n PRO 19 N -0.44 0.00 -2.68 3.99 -0.02 -1.26 -3.15 135.00 131.44 2klm n PRO 19 Ca -0.07 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.36 2klm n PRO 19 Cb 0.61 -1.47 0.07 0.00 -0.02 0.00 0.00 33.50 32.69 2klm n PRO 19 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2klm n ALA 20 N 2.76 -1.29 -1.08 3.55 0.00 -1.26 -5.11 120.51 118.08 2klm n ALA 20 Ca 0.00 -0.83 -0.29 0.00 0.00 0.00 0.00 53.44 52.31 2klm n ALA 20 Cb 0.00 -1.49 0.16 0.00 0.00 0.00 0.00 19.45 18.12 2klm n ALA 20 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2klm s PRO 21 N 0.12 0.81 0.57 0.00 0.04 -1.19 -4.91 135.00 130.44 2klm s PRO 21 Ca 0.15 0.81 0.34 0.00 0.04 0.00 0.00 61.00 62.34 2klm s PRO 21 Cb 0.24 -1.76 1.67 0.00 0.04 0.00 0.00 34.50 34.69 2klm s PRO 21 CO -0.08 -2.55 2.12 -1.00 0.04 0.00 0.00 177.00 175.53 2klm h PRO 22 N -1.77 0.00 0.22 0.56 0.13 -1.96 -3.19 132.00 125.99 2klm h PRO 22 Ca -0.52 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 2klm h PRO 22 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2klm h PRO 22 CO 0.54 0.06 -0.10 0.28 -0.23 0.00 0.00 178.00 178.54 2klm h VAL 23 N 0.00 0.00 0.00 1.56 2.07 -1.94 -3.48 116.25 114.46 2klm h VAL 23 Ca -0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2klm h VAL 23 Cb 0.31 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2klm h VAL 23 CO 0.01 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.21 2klm n GLY 24 N 0.65 3.11 0.30 2.17 0.00 -1.21 -2.16 105.19 108.04 2klm n GLY 24 Ca -0.04 -0.29 0.26 0.00 0.00 0.00 0.00 46.02 45.95 2klm n GLY 24 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2klm n PRO 25 N 14.00 -0.06 0.00 1.61 -0.02 -1.26 0.17 135.00 149.44 2klm n PRO 25 Ca 0.00 1.28 0.00 0.00 -2.02 0.00 0.00 63.50 62.76 2klm n PRO 25 Cb 0.00 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 2klm n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2klm n ALA 26 N -2.50 1.16 0.00 3.55 0.00 -0.92 -3.03 120.51 118.77 2klm n ALA 26 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2klm n ALA 26 Cb 1.08 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2klm n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2klm n LEU 27 N -0.14 0.00 -0.02 0.00 0.00 0.46 -4.98 117.00 112.32 2klm n LEU 27 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 56.01 55.91 2klm n LEU 27 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 43.42 43.55 2klm n LEU 27 CO 0.00 -0.17 0.91 1.23 0.00 0.00 0.00 177.39 179.36 2klm h GLY 28 N 0.00 0.19 -2.72 -3.96 0.00 0.17 -2.08 103.07 94.68 2klm h GLY 28 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2klm h GLY 28 CO 0.00 0.03 0.00 -0.18 0.00 0.00 0.00 176.54 176.39 2klm n GLN 29 N -5.04 0.70 0.16 4.80 7.27 -1.17 -3.39 117.38 120.71 2klm n GLN 29 Ca -0.04 0.00 0.12 0.00 0.07 0.00 0.00 57.00 57.15 2klm n GLN 29 Cb 0.06 -1.15 0.09 0.00 2.41 0.00 0.00 30.24 31.64 2klm n GLN 29 CO 0.00 0.00 0.00 1.12 0.07 0.00 0.00 177.06 178.25 2klm h HIS 30 N 1.33 0.00 0.00 3.69 2.07 -1.59 -3.48 115.15 117.16 2klm h HIS 30 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2klm h HIS 30 Cb 0.70 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.68 2klm h HIS 30 CO 0.17 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 175.44 2klm n GLY 31 N 1.14 3.09 0.00 6.13 0.00 -1.22 -5.02 105.19 109.32 2klm n GLY 31 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2klm n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klm n ALA 32 N 0.00 0.00 -2.85 4.61 0.00 -1.26 -5.00 120.51 116.01 2klm n ALA 32 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2klm n ALA 32 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2klm n ALA 32 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2klm s ASN 33 N -2.53 0.40 0.00 0.00 -0.87 -1.26 -5.08 114.94 105.60 2klm s ASN 33 Ca 0.00 -0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.08 2klm s ASN 33 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 41.25 41.23 2klm s ASN 33 CO 0.00 -0.06 0.00 -0.38 -2.57 0.00 0.00 177.10 174.09 2klm n ILE 34 N 2.50 0.00 -0.34 0.60 5.41 -1.26 -3.48 119.36 122.79 2klm n ILE 34 Ca -0.16 0.49 0.31 0.00 1.00 0.00 0.00 62.75 64.39 2klm n ILE 34 Cb 0.58 -1.48 0.58 0.00 -0.71 0.00 0.00 39.64 38.60 2klm n ILE 34 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 2klm h MET 35 N 0.00 0.05 -0.20 0.38 4.05 -1.98 2.36 114.93 119.60 2klm h MET 35 Ca 0.00 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 2klm h MET 35 Cb 0.00 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 2klm h MET 35 CO 0.00 0.04 0.01 1.49 0.23 0.00 0.00 176.91 178.68 2klm h GLU 36 N 0.06 0.08 -0.12 0.39 4.57 -1.98 2.33 114.58 119.90 2klm h GLU 36 Ca 0.83 -0.00 0.03 0.00 -1.18 0.00 0.00 59.36 59.04 2klm h GLU 36 Cb 2.21 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 30.72 2klm h GLU 36 CO -0.71 0.05 -0.54 0.35 -1.18 0.00 0.00 179.01 176.98 2klm h PHE 37 N 0.08 -1.61 -0.66 0.92 3.57 0.39 -1.08 116.94 118.56 2klm h PHE 37 Ca 0.09 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2klm h PHE 37 Cb 0.11 0.72 -0.03 0.00 2.79 0.00 0.00 35.95 39.54 2klm h PHE 37 CO -0.17 -0.55 0.36 0.28 -2.23 0.00 0.00 178.31 176.00 2klm h VAL 38 N -0.60 1.21 -0.44 1.41 2.07 -0.85 -1.63 116.25 117.42 2klm h VAL 38 Ca 0.03 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.09 2klm h VAL 38 Cb 0.69 0.35 -0.09 0.00 -1.52 0.00 0.00 31.29 30.71 2klm h VAL 38 CO -0.43 0.23 -0.48 0.50 0.02 0.00 0.00 177.57 177.41 2klm h LYS 39 N 0.90 -0.33 -0.80 1.57 1.63 0.48 2.15 116.57 122.18 2klm h LYS 39 Ca 0.23 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.02 2klm h LYS 39 Cb 0.04 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.71 2klm h LYS 39 CO -0.04 -0.22 0.34 0.00 -3.45 0.00 0.00 179.45 176.09 2klm h ALA 40 N 0.29 1.10 -1.43 5.00 0.00 -1.03 0.29 119.26 123.48 2klm h ALA 40 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2klm h ALA 40 Cb 0.59 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2klm h ALA 40 CO -0.60 0.66 0.00 0.34 0.00 0.00 0.00 179.25 179.64 2klm n PHE 41 N -4.29 0.00 -0.33 0.00 7.35 0.30 -1.59 117.46 118.90 2klm n PHE 41 Ca 0.07 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 57.00 2klm n PHE 41 Cb 0.17 -0.26 0.44 0.00 0.35 0.00 0.00 39.48 40.18 2klm n PHE 41 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 2klm h ASN 42 N 0.00 -0.09 -0.68 -2.13 2.35 0.34 1.07 115.58 116.44 2klm h ASN 42 Ca 0.00 0.27 0.03 0.00 -0.55 0.00 0.00 56.30 56.05 2klm h ASN 42 Cb 0.00 0.39 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 2klm h ASN 42 CO 0.00 -0.40 0.45 0.00 -1.65 0.00 0.00 177.43 175.82 2klm h ALA 43 N 2.00 1.60 0.06 -0.83 0.00 -0.37 2.24 119.26 123.95 2klm h ALA 43 Ca 0.73 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 55.39 2klm h ALA 43 Cb 1.74 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2klm h ALA 43 CO -0.86 0.34 -1.11 0.00 0.00 0.00 0.00 179.25 177.63 2klm h ALA 44 N 1.60 0.17 -0.74 0.00 0.00 0.20 -1.97 119.26 118.53 2klm h ALA 44 Ca 0.27 -1.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 2klm h ALA 44 Cb 0.03 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2klm h ALA 44 CO -0.07 0.64 0.44 1.79 0.00 0.00 0.00 179.25 182.04 2klm h THR 45 N -0.65 1.21 -0.46 0.00 1.35 -0.46 0.28 112.91 114.19 2klm h THR 45 Ca -0.26 -0.47 -0.07 0.00 -0.55 0.00 0.00 66.41 65.05 2klm h THR 45 Cb 1.48 0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 68.05 2klm h THR 45 CO -0.04 0.22 -0.01 0.00 -0.25 0.00 0.00 175.52 175.44 2klm h ALA 46 N 1.46 1.12 0.00 6.62 0.00 0.36 1.99 119.26 130.81 2klm h ALA 46 Ca 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2klm h ALA 46 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2klm h ALA 46 CO -0.05 0.56 0.00 -0.97 0.00 0.00 0.00 179.25 178.79 2klm h ASN 47 N 0.71 0.00 0.00 0.00 -1.24 0.28 -3.02 115.58 112.31 2klm h ASN 47 Ca 0.14 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.81 2klm h ASN 47 Cb 0.45 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.45 2klm h ASN 47 CO 0.02 0.00 -2.22 1.15 -1.29 0.00 0.00 177.43 175.09 2klm n MET 48 N -2.86 0.51 0.00 6.67 0.00 0.18 -5.07 117.12 116.56 2klm n MET 48 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 57.70 57.84 2klm n MET 48 Cb 0.15 -1.39 0.00 0.00 0.00 0.00 0.00 33.22 31.98 2klm n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2klm n GLY 49 N 2.22 0.74 0.75 3.17 0.00 0.65 -5.08 105.19 107.64 2klm n GLY 49 Ca -0.39 -0.65 0.04 0.00 0.00 0.00 0.00 46.02 45.02 2klm n GLY 49 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2klm n ASP 50 N 0.00 -1.99 0.00 1.61 5.68 -1.10 -4.98 116.55 115.77 2klm n ASP 50 Ca 0.00 0.38 0.00 0.00 -0.50 0.00 0.00 54.79 54.67 2klm n ASP 50 Cb 0.00 -2.40 0.00 0.00 -1.14 0.00 0.00 41.12 37.58 2klm n ASP 50 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2klm n ALA 51 N -3.32 0.00 -3.66 2.12 0.00 -0.82 -4.81 120.51 110.02 2klm n ALA 51 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 2klm n ALA 51 Cb 0.17 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.47 2klm n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2klm s ILE 52 N -3.00 -0.05 -0.16 0.00 1.01 -1.26 0.10 121.20 117.84 2klm s ILE 52 Ca 0.00 0.18 -0.07 0.00 0.00 0.00 0.00 60.65 60.76 2klm s ILE 52 Cb 0.00 -0.12 0.07 0.00 0.01 0.00 0.00 42.46 42.42 2klm s ILE 52 CO 0.00 0.07 0.36 0.68 0.00 0.00 0.00 174.94 176.05 2klm s VAL 53 N 0.98 -0.26 0.46 2.92 -7.23 -0.82 -4.89 120.40 111.56 2klm s VAL 53 Ca -0.08 0.16 -0.21 0.00 -1.81 0.00 0.00 61.98 60.04 2klm s VAL 53 Cb -0.11 -0.56 -0.09 0.00 0.56 0.00 0.00 36.38 36.18 2klm s VAL 53 CO -0.03 0.07 1.01 -2.16 -0.31 0.00 0.00 175.10 173.67 2klm s PRO 54 N 1.89 3.94 0.10 4.82 0.04 -1.26 -0.79 135.00 143.74 2klm s PRO 54 Ca -0.05 1.30 -0.06 0.00 0.04 0.00 0.00 61.00 62.23 2klm s PRO 54 Cb -0.10 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 2klm s PRO 54 CO -0.11 -0.30 0.14 0.14 0.04 0.00 0.00 177.00 176.91 2klm s VAL 55 N -2.02 0.14 -0.59 -0.36 -7.23 -0.57 -4.84 120.40 104.93 2klm s VAL 55 Ca 0.65 -1.46 0.04 0.00 -1.81 0.00 0.00 61.98 59.40 2klm s VAL 55 Cb -0.15 -1.59 0.17 0.00 0.56 0.00 0.00 36.38 35.37 2klm s VAL 55 CO 0.18 -0.62 0.42 -1.61 -0.31 0.00 0.00 175.10 173.16 2klm s GLU 56 N -3.92 1.86 -0.84 4.82 2.02 -1.25 -1.55 118.70 119.84 2klm s GLU 56 Ca 0.11 -2.84 -0.21 0.00 0.02 0.00 0.00 54.97 52.05 2klm s GLU 56 Cb 0.06 -2.68 -0.19 0.00 0.10 0.00 0.00 34.13 31.41 2klm s GLU 56 CO -0.07 -1.31 2.24 -0.89 0.02 0.00 0.00 175.26 175.25 2klm n ILE 57 N 2.38 0.00 -1.91 -1.63 5.41 -0.61 -4.56 119.36 118.44 2klm n ILE 57 Ca 0.22 -0.43 -0.43 0.00 1.00 0.00 0.00 62.75 63.11 2klm n ILE 57 Cb 0.39 -1.40 -0.03 0.00 -0.71 0.00 0.00 39.64 37.89 2klm n ILE 57 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2klm s THR 58 N 10.84 3.38 -0.20 1.39 2.01 -0.64 -1.59 115.64 130.82 2klm s THR 58 Ca 0.96 0.39 -0.05 0.00 0.31 0.00 0.00 61.69 63.30 2klm s THR 58 Cb -0.29 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2klm s THR 58 CO 0.21 -0.30 0.01 -0.63 -0.69 0.00 0.00 174.62 173.22 2klm s ILE 59 N 7.01 4.06 -0.10 1.82 1.01 0.29 -0.54 121.20 134.75 2klm s ILE 59 Ca 0.84 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 61.17 2klm s ILE 59 Cb -0.25 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 2klm s ILE 59 CO 0.34 0.43 0.06 -0.31 0.00 0.00 0.00 174.94 175.45 2klm s TYR 60 N 0.96 3.34 0.64 3.97 2.02 -0.24 -1.80 117.35 126.24 2klm s TYR 60 Ca 0.02 0.33 0.26 0.00 -0.37 0.00 0.00 57.07 57.30 2klm s TYR 60 Cb -0.14 -1.85 1.35 0.00 -0.40 0.00 0.00 41.96 40.92 2klm s TYR 60 CO 0.02 0.58 1.77 0.00 -1.57 0.00 0.00 175.55 176.34 2klm h ALA 61 N 5.06 1.72 0.00 3.71 0.00 -1.88 1.26 119.26 129.12 2klm h ALA 61 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2klm h ALA 61 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2klm h ALA 61 CO 0.56 -0.58 0.00 -3.47 0.00 0.00 0.00 179.25 175.75 2klm n ASP 62 N -3.07 0.00 -2.73 0.00 2.03 -1.26 -4.79 116.55 106.73 2klm n ASP 62 Ca 0.02 -0.67 -0.03 0.00 0.52 0.00 0.00 54.79 54.63 2klm n ASP 62 Cb 0.59 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 41.00 2klm n ASP 62 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2klm n ARG 63 N -0.69 -1.17 -3.73 -0.67 1.74 0.43 -5.06 116.66 107.50 2klm n ARG 63 Ca 0.04 1.14 -0.15 0.00 -0.77 0.00 0.00 57.85 58.11 2klm n ARG 63 Cb 0.02 -4.79 -0.15 0.00 -1.02 0.00 0.00 32.46 26.51 2klm n ARG 63 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2klm s SER 64 N -2.89 0.15 -0.43 0.55 0.01 -0.84 -4.96 113.70 105.30 2klm s SER 64 Ca 0.08 0.29 -0.08 0.00 1.31 0.00 0.00 55.95 57.55 2klm s SER 64 Cb -0.01 0.19 0.10 0.00 0.21 0.00 0.00 66.02 66.51 2klm s SER 64 CO 0.57 -0.18 0.27 -0.36 0.41 0.00 0.00 173.24 173.95 2klm s PHE 65 N 1.49 3.41 -0.19 2.43 0.40 -1.26 -1.07 117.98 123.19 2klm s PHE 65 Ca -0.06 -1.84 -0.16 0.00 -0.60 0.00 0.00 56.93 54.27 2klm s PHE 65 Cb -0.12 -3.16 -0.04 0.00 0.51 0.00 0.00 43.02 40.22 2klm s PHE 65 CO -0.06 -0.92 0.41 0.95 0.70 0.00 0.00 175.22 176.30 2klm s THR 66 N 1.34 5.20 -0.29 0.64 -4.23 0.30 -4.90 115.64 113.69 2klm s THR 66 Ca 0.05 0.75 -0.17 0.00 -1.18 0.00 0.00 61.69 61.13 2klm s THR 66 Cb -0.24 -3.74 0.18 0.00 1.34 0.00 0.00 72.50 70.04 2klm s THR 66 CO -0.00 0.26 1.16 0.72 -0.54 0.00 0.00 174.62 176.22 2klm s PHE 67 N 1.20 -0.26 0.07 3.99 -0.71 -1.26 -1.62 117.98 119.38 2klm s PHE 67 Ca 0.20 0.53 0.01 0.00 -1.04 0.00 0.00 56.93 56.64 2klm s PHE 67 Cb -0.15 0.19 -0.03 0.00 -1.21 0.00 0.00 43.02 41.82 2klm s PHE 67 CO 0.08 -0.13 -0.06 0.08 -1.34 0.00 0.00 175.22 173.85 2klm s VAL 68 N 1.06 0.50 -0.30 -2.49 1.01 -1.26 -5.08 120.40 113.84 2klm s VAL 68 Ca -0.07 -1.56 -0.19 0.00 0.00 0.00 0.00 61.98 60.16 2klm s VAL 68 Cb -0.03 -1.19 0.19 0.00 0.00 0.00 0.00 36.38 35.35 2klm s VAL 68 CO -0.12 -0.72 1.25 0.28 0.00 0.00 0.00 175.10 175.80 2klm s THR 69 N -2.80 -0.10 -0.04 3.92 -1.32 -1.26 -5.00 115.64 109.04 2klm s THR 69 Ca 0.02 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.22 2klm s THR 69 Cb -0.00 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.08 2klm s THR 69 CO -0.04 0.00 1.26 2.29 -2.21 0.00 0.00 174.62 175.92 2klm n LYS 70 N 4.46 0.14 -3.40 7.08 2.85 -1.26 -4.95 118.16 123.07 2klm n LYS 70 Ca -0.08 -0.69 -0.20 0.00 -1.05 0.00 0.00 58.31 56.29 2klm n LYS 70 Cb 0.55 1.18 0.05 0.00 -0.65 0.00 0.00 35.03 36.17 2klm n LYS 70 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2klm n THR 71 N -0.91 -7.97 -1.57 0.58 -2.24 -1.26 -4.98 114.28 95.92 2klm n THR 71 Ca 0.05 -1.10 -0.30 0.00 -2.27 0.00 0.00 64.05 60.43 2klm n THR 71 Cb 0.56 -5.71 0.08 0.00 -2.10 0.00 0.00 70.33 63.16 2klm n THR 71 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2klm s PRO 72 N -4.86 2.25 1.12 -0.78 0.05 -1.26 -5.00 135.00 126.50 2klm s PRO 72 Ca 0.42 0.67 -0.17 0.00 0.05 0.00 0.00 61.00 61.97 2klm s PRO 72 Cb -0.09 -1.93 0.25 0.00 0.05 0.00 0.00 34.50 32.77 2klm s PRO 72 CO 0.79 -1.52 1.15 -1.25 0.05 0.00 0.00 177.00 176.22 2klm s PRO 73 N -5.15 -0.53 0.56 0.56 0.04 -1.26 -4.06 135.00 125.15 2klm s PRO 73 Ca 0.60 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.58 2klm s PRO 73 Cb -0.14 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2klm s PRO 73 CO 0.54 -3.26 0.00 0.00 0.04 0.00 0.00 177.00 174.32 2klm n ALA 74 N -4.44 -0.04 0.33 8.56 0.00 -1.26 -3.86 120.51 119.80 2klm n ALA 74 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2klm n ALA 74 Cb 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2klm n ALA 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2klm n SER 75 N 0.01 0.00 -0.38 0.00 7.64 -1.26 -0.67 113.62 118.95 2klm n SER 75 Ca 0.00 0.50 0.30 0.00 1.01 0.00 0.00 58.87 60.68 2klm n SER 75 Cb 0.01 0.00 0.59 0.00 -1.01 0.00 0.00 64.21 63.79 2klm n SER 75 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2klm h TYR 76 N 0.00 0.57 0.00 1.43 0.05 -1.79 -2.16 116.97 115.06 2klm h TYR 76 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 2klm h TYR 76 Cb 2.00 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 39.58 2klm h TYR 76 CO 0.00 -0.08 -0.35 1.47 -1.05 0.00 0.00 178.16 178.15 2klm n LEU 77 N -4.65 0.00 -0.18 3.88 -0.00 0.15 -4.75 117.00 111.46 2klm n LEU 77 Ca 0.31 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.44 2klm n LEU 77 Cb 1.17 0.00 0.43 0.00 -0.00 0.00 0.00 43.42 45.02 2klm n LEU 77 CO 0.23 0.00 1.21 0.40 -0.00 0.00 0.00 177.39 179.23 2klm h ILE 78 N 0.00 0.89 -0.73 1.47 2.04 -1.29 0.34 117.51 120.23 2klm h ILE 78 Ca 0.00 -0.20 0.11 0.00 1.00 0.00 0.00 64.86 65.77 2klm h ILE 78 Cb 0.20 0.25 -0.08 0.00 -0.74 0.00 0.00 36.82 36.45 2klm h ILE 78 CO 0.00 0.11 0.35 0.03 0.00 0.00 0.00 178.15 178.63 2klm h ARG 79 N 0.58 0.55 0.37 2.37 3.08 -1.63 0.97 114.38 120.68 2klm h ARG 79 Ca 0.36 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 2klm h ARG 79 Cb 0.60 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2klm h ARG 79 CO -0.13 0.36 -0.18 -0.22 -1.07 0.00 0.00 179.97 178.74 2klm h LYS 80 N 0.57 -0.48 0.00 0.04 3.64 -1.20 0.97 116.57 120.11 2klm h LYS 80 Ca 0.37 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2klm h LYS 80 Cb 0.45 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2klm h LYS 80 CO -0.31 -0.32 0.22 0.00 -2.27 0.00 0.00 179.45 176.78 2klm n ALA 81 N -2.33 0.69 -0.66 5.00 0.00 -0.92 -3.00 120.51 119.29 2klm n ALA 81 Ca -0.06 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2klm n ALA 81 Cb 0.19 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.83 2klm n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2klm n ALA 82 N -1.52 0.00 0.00 0.00 0.00 0.33 -4.13 120.51 115.19 2klm n ALA 82 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2klm n ALA 82 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2klm n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2klm n GLY 83 N 2.26 0.86 3.65 0.00 0.00 0.29 -3.78 105.19 108.47 2klm n GLY 83 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2klm n GLY 83 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2klm s LEU 84 N 0.00 4.10 -0.29 0.99 1.43 -1.26 -4.71 118.68 118.95 2klm s LEU 84 Ca 0.00 0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.17 2klm s LEU 84 Cb 0.00 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2klm s LEU 84 CO 0.00 0.01 0.19 -0.70 0.23 0.00 0.00 176.35 176.07 2klm s GLU 85 N 1.27 3.79 -0.82 1.70 2.12 -1.26 -4.41 118.70 121.08 2klm s GLU 85 Ca 0.10 -0.42 -0.05 0.00 0.36 0.00 0.00 54.97 54.95 2klm s GLU 85 Cb -0.14 -3.65 0.05 0.00 0.26 0.00 0.00 34.13 30.64 2klm s GLU 85 CO 0.06 -0.25 0.20 1.63 -0.54 0.00 0.00 175.26 176.36 2klm n LYS 86 N 5.05 -2.66 0.00 4.30 5.02 -1.26 -4.39 118.16 124.22 2klm n LYS 86 Ca -0.14 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2klm n LYS 86 Cb 0.51 -4.89 0.00 0.00 -0.02 0.00 0.00 35.03 30.64 2klm n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2klm n GLY 87 N -0.82 2.69 2.70 0.72 0.00 -1.26 -4.45 105.19 104.77 2klm n GLY 87 Ca -0.03 -0.36 -0.07 0.00 0.00 0.00 0.00 46.02 45.57 2klm n GLY 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klm n ALA 88 N 10.13 -1.43 -0.30 4.61 0.00 -1.26 -4.99 120.51 127.27 2klm n ALA 88 Ca 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 53.44 52.32 2klm n ALA 88 Cb 0.00 -1.75 0.09 0.00 0.00 0.00 0.00 19.45 17.79 2klm n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2klm h HIS 89 N 2.61 1.00 -3.57 0.00 3.86 -1.94 -3.42 115.15 113.69 2klm h HIS 89 Ca -0.20 0.02 -0.52 0.00 -1.16 0.00 0.00 60.37 58.52 2klm h HIS 89 Cb 1.15 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 2klm h HIS 89 CO 0.14 0.60 0.05 0.15 0.86 0.00 0.00 177.93 179.73 2klm s LYS 90 N -6.12 4.07 0.42 2.45 -0.14 -1.26 -5.04 119.74 114.13 2klm s LYS 90 Ca -0.13 0.67 -0.26 0.00 -1.36 0.00 0.00 55.97 54.89 2klm s LYS 90 Cb 0.16 -2.71 -0.09 0.00 -1.68 0.00 0.00 37.83 33.51 2klm s LYS 90 CO 0.79 0.32 1.40 -1.25 -0.76 0.00 0.00 175.35 175.85 2klm s PRO 91 N -2.41 3.86 0.00 -1.68 0.04 -1.26 -5.01 135.00 128.54 2klm s PRO 91 Ca 0.46 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.88 2klm s PRO 91 Cb -0.14 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2klm s PRO 91 CO 0.19 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 176.98 2klm n GLY 92 N 0.59 1.21 0.00 0.56 0.00 -1.26 -5.15 105.19 101.15 2klm n GLY 92 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2klm n GLY 92 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2klm n ARG 93 N 0.00 0.00 -4.04 1.61 1.74 -1.26 -5.18 116.66 109.53 2klm n ARG 93 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2klm n ARG 93 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 2klm n ARG 93 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2klm s GLU 94 N 0.00 1.88 -0.14 5.56 2.02 -1.26 -5.07 118.70 121.70 2klm s GLU 94 Ca 0.00 -1.63 -0.10 0.00 0.02 0.00 0.00 54.97 53.26 2klm s GLU 94 Cb 0.00 0.47 0.04 0.00 0.10 0.00 0.00 34.13 34.74 2klm s GLU 94 CO 0.00 -0.79 0.19 1.63 0.02 0.00 0.00 175.26 176.31 2klm n LYS 95 N -0.53 -3.84 -3.83 1.61 5.02 -1.26 -5.05 118.16 110.29 2klm n LYS 95 Ca -0.01 2.94 -0.12 0.00 -2.02 0.00 0.00 58.31 59.10 2klm n LYS 95 Cb 0.61 -4.03 -0.11 0.00 -0.02 0.00 0.00 35.03 31.48 2klm n LYS 95 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2klm s VAL 96 N -0.50 0.03 -0.20 -0.18 0.11 -1.26 -5.00 120.40 113.40 2klm s VAL 96 Ca -0.22 -0.28 -0.09 0.00 -2.93 0.00 0.00 61.98 58.46 2klm s VAL 96 Cb 0.01 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.53 2klm s VAL 96 CO 0.59 -0.15 0.18 0.61 -3.33 0.00 0.00 175.10 173.00 2klm n GLY 97 N 2.33 -1.18 3.11 6.54 0.00 -1.26 -3.81 105.19 110.93 2klm n GLY 97 Ca -0.17 0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 2klm n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2klm s ARG 98 N -1.58 2.14 -0.03 1.61 0.52 -1.25 -1.17 118.95 119.19 2klm s ARG 98 Ca 0.10 -1.50 -0.03 0.00 -0.52 0.00 0.00 55.73 53.78 2klm s ARG 98 Cb -0.01 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 2klm s ARG 98 CO 0.43 -0.76 0.15 0.96 0.02 0.00 0.00 175.30 176.11 2klm s ILE 99 N 1.14 5.30 0.46 1.52 -4.36 -1.16 -4.60 121.20 119.48 2klm s ILE 99 Ca -0.00 -0.15 -0.09 0.00 -0.26 0.00 0.00 60.65 60.14 2klm s ILE 99 Cb -0.20 -3.43 -0.05 0.00 1.25 0.00 0.00 42.46 40.02 2klm s ILE 99 CO -0.04 0.38 0.82 0.42 0.24 0.00 0.00 174.94 176.76 2klm s THR 100 N -1.25 4.80 0.05 8.37 -4.23 -1.26 -1.46 115.64 120.66 2klm s THR 100 Ca 0.24 0.56 -0.25 0.00 -1.18 0.00 0.00 61.69 61.06 2klm s THR 100 Cb -0.12 -3.79 -0.17 0.00 1.34 0.00 0.00 72.50 69.76 2klm s THR 100 CO 0.15 -0.70 1.53 -0.25 -0.54 0.00 0.00 174.62 174.81 2klm h TRP 101 N 0.76 -0.11 -0.62 3.99 2.91 -1.99 -2.21 115.95 118.68 2klm h TRP 101 Ca -0.47 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.54 2klm h TRP 101 Cb 1.19 0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.85 2klm h TRP 101 CO 0.61 0.10 0.35 1.49 -1.03 0.00 0.00 178.44 179.96 2klm h GLU 102 N -0.30 0.85 -0.28 2.65 4.57 -1.99 -0.63 114.58 119.45 2klm h GLU 102 Ca -0.01 -0.09 -0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2klm h GLU 102 Cb 0.26 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2klm h GLU 102 CO 0.02 0.63 0.16 1.96 -1.18 0.00 0.00 179.01 180.60 2klm h GLN 103 N 0.83 0.39 -0.24 1.92 4.20 -1.96 -0.19 115.11 120.05 2klm h GLN 103 Ca 0.22 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 2klm h GLN 103 Cb 0.01 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 2klm h GLN 103 CO -0.04 0.33 -0.13 -0.39 -0.67 0.00 0.00 178.83 177.93 2klm h VAL 104 N 0.35 1.22 0.42 -0.54 -1.51 -1.23 -1.66 116.25 113.29 2klm h VAL 104 Ca 0.10 -0.95 -0.02 0.00 -1.23 0.00 0.00 66.70 64.60 2klm h VAL 104 Cb 0.04 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 2klm h VAL 104 CO -0.02 0.31 -0.21 -0.07 -1.23 0.00 0.00 177.57 176.35 2klm h LEU 105 N 0.38 -0.51 -0.73 4.19 3.38 -0.31 0.80 115.31 122.51 2klm h LEU 105 Ca 0.07 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.20 2klm h LEU 105 Cb 0.46 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 41.21 2klm h LEU 105 CO 0.03 -0.35 -0.23 -0.08 0.09 0.00 0.00 178.44 177.89 2klm h GLU 106 N -0.57 -0.04 -0.20 1.13 4.81 -1.00 2.85 114.58 121.55 2klm h GLU 106 Ca -0.06 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2klm h GLU 106 Cb 0.45 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2klm h GLU 106 CO 0.09 -0.02 0.14 0.82 -0.73 0.00 0.00 179.01 179.30 2klm h ILE 107 N -0.04 1.00 -0.00 2.32 2.04 -1.11 0.98 117.51 122.71 2klm h ILE 107 Ca 0.33 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.13 2klm h ILE 107 Cb 0.55 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2klm h ILE 107 CO -0.77 0.04 -0.47 0.00 0.00 0.00 0.00 178.15 176.95 2klm n ALA 108 N -2.53 3.51 -0.16 1.87 0.00 0.56 -3.45 120.51 120.32 2klm n ALA 108 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2klm n ALA 108 Cb 0.14 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.52 2klm n ALA 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2klm n LYS 109 N -1.14 0.00 -0.34 0.00 4.81 0.82 -4.34 118.16 117.97 2klm n LYS 109 Ca 0.08 0.30 0.11 0.00 -0.87 0.00 0.00 58.31 57.93 2klm n LYS 109 Cb 0.35 -0.78 0.29 0.00 0.02 0.00 0.00 35.03 34.90 2klm n LYS 109 CO 0.00 0.00 0.00 -0.56 1.17 0.00 0.00 177.40 178.01 2klm h GLN 110 N 0.00 0.72 -4.11 1.64 3.07 -1.56 -3.16 115.11 111.71 2klm h GLN 110 Ca 0.00 -0.04 -0.52 0.00 0.09 0.00 0.00 58.65 58.17 2klm h GLN 110 Cb 0.00 -0.16 0.04 0.00 0.08 0.00 0.00 27.48 27.44 2klm h GLN 110 CO 0.00 0.47 2.31 1.63 0.09 0.00 0.00 178.83 183.34 2klm n LYS 111 N -4.79 1.58 -2.74 0.06 4.76 -1.22 -4.24 118.16 111.56 2klm n LYS 111 Ca 0.21 -1.61 -0.09 0.00 -2.87 0.00 0.00 58.31 53.95 2klm n LYS 111 Cb 0.52 -2.70 0.09 0.00 -1.84 0.00 0.00 35.03 31.11 2klm n LYS 111 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2klm n MET 112 N 5.98 1.11 0.23 1.97 2.81 -1.19 -4.88 117.12 123.14 2klm n MET 112 Ca 0.45 -2.04 -0.14 0.00 -1.81 0.00 0.00 57.70 54.16 2klm n MET 112 Cb 0.29 -0.63 -0.08 0.00 -0.71 0.00 0.00 33.22 32.09 2klm n MET 112 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2klm h PRO 113 N 2.54 -0.56 0.00 0.03 0.13 -1.90 -3.43 132.00 128.82 2klm h PRO 113 Ca -0.17 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2klm h PRO 113 Cb 1.19 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2klm h PRO 113 CO 0.08 -0.26 0.00 -0.25 -0.23 0.00 0.00 178.00 177.34 2klm n ASP 114 N -5.24 0.00 0.00 1.44 8.00 -1.26 -5.05 116.55 114.44 2klm n ASP 114 Ca -0.11 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2klm n ASP 114 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 2klm n ASP 114 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2klm n LEU 115 N 0.00 0.00 0.00 0.64 4.77 -1.26 -4.90 117.00 116.24 2klm n LEU 115 Ca 0.00 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 2klm n LEU 115 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2klm n LEU 115 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 172.86 2klm n ASN 116 N -0.33 0.00 -4.91 -1.43 4.05 -1.26 -5.15 115.26 106.23 2klm n ASN 116 Ca 0.00 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.75 2klm n ASN 116 Cb 0.00 0.00 0.06 0.00 1.23 0.00 0.00 39.78 41.07 2klm n ASN 116 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2klm s THR 117 N 0.00 2.82 0.00 -0.44 -4.23 -1.26 -5.04 115.64 107.49 2klm s THR 117 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 2klm s THR 117 Cb 0.00 -3.22 0.00 0.00 1.34 0.00 0.00 72.50 70.62 2klm s THR 117 CO 0.00 -0.25 0.00 1.07 -0.54 0.00 0.00 174.62 174.90 2klm n THR 118 N -2.94 0.00 -0.74 3.99 5.66 -1.26 -4.98 114.28 114.01 2klm n THR 118 Ca 0.07 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.75 2klm n THR 118 Cb 0.59 0.00 0.16 0.00 -1.55 0.00 0.00 70.33 69.53 2klm n THR 118 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2klm n ASP 119 N -0.42 -0.00 -0.18 1.09 8.00 -1.26 -4.80 116.55 118.99 2klm n ASP 119 Ca 0.00 0.42 -0.01 0.00 0.71 0.00 0.00 54.79 55.91 2klm n ASP 119 Cb 0.00 -1.44 0.22 0.00 -0.02 0.00 0.00 41.12 39.88 2klm n ASP 119 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2klm h LEU 120 N -1.74 0.82 -1.23 0.64 3.38 -1.99 -2.15 115.31 113.05 2klm h LEU 120 Ca -0.43 -0.08 0.17 0.00 0.09 0.00 0.00 57.88 57.62 2klm h LEU 120 Cb 1.28 -0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 2klm h LEU 120 CO 0.40 0.69 0.60 -0.33 0.09 0.00 0.00 178.44 179.89 2klm h GLU 121 N 0.92 0.67 0.03 1.13 5.08 -1.97 1.97 114.58 122.41 2klm h GLU 121 Ca 0.23 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2klm h GLU 121 Cb 0.08 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2klm h GLU 121 CO -0.03 0.44 -0.02 0.00 -1.00 0.00 0.00 179.01 178.40 2klm h ALA 122 N 1.61 -0.35 -1.02 3.43 0.00 -1.73 -1.39 119.26 119.80 2klm h ALA 122 Ca 0.50 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.66 2klm h ALA 122 Cb 0.84 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 2klm h ALA 122 CO -0.25 -0.35 0.67 0.00 0.00 0.00 0.00 179.25 179.32 2klm h ALA 123 N -1.91 2.31 0.02 0.00 0.00 -1.42 0.28 119.26 118.53 2klm h ALA 123 Ca -0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2klm h ALA 123 Cb 0.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2klm h ALA 123 CO 0.01 -0.68 -0.01 0.00 0.00 0.00 0.00 179.25 178.57 2klm h ALA 124 N 1.60 -0.96 -1.59 0.00 0.00 0.31 -1.55 119.26 117.07 2klm h ALA 124 Ca 0.57 -0.00 0.46 0.00 0.00 0.00 0.00 54.91 55.94 2klm h ALA 124 Cb 1.51 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.28 2klm h ALA 124 CO -0.25 -0.96 1.13 0.00 0.00 0.00 0.00 179.25 179.18 2klm h ARG 125 N -0.02 0.01 0.00 0.00 3.08 -0.30 0.24 114.38 117.39 2klm h ARG 125 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2klm h ARG 125 Cb 0.02 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2klm h ARG 125 CO 0.00 0.01 0.00 -0.12 -1.07 0.00 0.00 179.97 178.79 2klm n MET 126 N -4.10 0.00 -0.15 0.04 1.56 -0.00 0.32 117.12 114.78 2klm n MET 126 Ca 0.36 0.36 -0.03 0.00 -0.27 0.00 0.00 57.70 58.12 2klm n MET 126 Cb 1.64 -1.35 0.05 0.00 2.15 0.00 0.00 33.22 35.71 2klm n MET 126 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 2klm h ILE 127 N 0.00 0.60 0.00 1.12 1.08 -0.18 2.21 117.51 122.34 2klm h ILE 127 Ca 0.00 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 2klm h ILE 127 Cb 0.00 0.51 0.00 0.00 -3.07 0.00 0.00 36.82 34.26 2klm h ILE 127 CO 0.00 0.01 0.00 0.00 -0.69 0.00 0.00 178.15 177.47 2klm n ALA 128 N -2.69 -0.29 -0.32 1.87 0.00 -0.09 -0.79 120.51 118.20 2klm n ALA 128 Ca 0.05 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.68 2klm n ALA 128 Cb 0.26 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.10 2klm n ALA 128 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2klm h GLY 129 N 0.00 1.67 0.87 0.00 0.00 0.51 2.63 103.07 108.75 2klm h GLY 129 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.32 2klm h GLY 129 CO 0.00 -0.54 0.48 1.76 0.00 0.00 0.00 176.54 178.24 2klm h SER 130 N 0.12 0.80 -0.28 0.19 0.02 0.38 0.75 113.55 115.53 2klm h SER 130 Ca 0.67 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.66 2klm h SER 130 Cb 1.52 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.84 2klm h SER 130 CO -0.75 0.55 0.02 0.00 -1.14 0.00 0.00 176.83 175.51 2klm h ALA 131 N 1.32 0.26 -0.93 3.77 0.00 0.66 0.32 119.26 124.66 2klm h ALA 131 Ca 0.31 0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.46 2klm h ALA 131 Cb 0.02 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.81 2klm h ALA 131 CO -0.11 -0.39 0.51 -0.09 0.00 0.00 0.00 179.25 179.17 2klm h ARG 132 N 0.11 0.65 0.16 0.00 1.12 0.50 0.73 114.38 117.65 2klm h ARG 132 Ca 0.13 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.96 2klm h ARG 132 Cb 0.16 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 2klm h ARG 132 CO -0.20 0.43 -0.17 1.03 -3.11 0.00 0.00 179.97 177.95 2klm h SER 133 N 0.67 -0.46 0.00 -3.80 0.87 0.18 0.48 113.55 111.49 2klm h SER 133 Ca 0.53 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 2klm h SER 133 Cb 0.80 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2klm h SER 133 CO -0.39 -0.22 0.11 0.23 -0.53 0.00 0.00 176.83 176.04 2klm n MET 134 N -3.33 0.00 0.00 2.24 2.81 0.15 -4.66 117.12 114.32 2klm n MET 134 Ca -0.04 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 2klm n MET 134 Cb 0.15 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.05 2klm n MET 134 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2klm n GLY 135 N -1.01 2.89 3.21 3.03 0.00 0.21 -5.02 105.19 108.51 2klm n GLY 135 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2klm n GLY 135 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2klm n VAL 136 N -0.46 0.00 -4.07 1.61 0.31 0.12 -4.65 118.33 111.19 2klm n VAL 136 Ca 0.00 -0.26 -0.08 0.00 -0.01 0.00 0.00 64.34 63.99 2klm n VAL 136 Cb 0.00 -0.37 -0.10 0.00 -0.91 0.00 0.00 33.84 32.47 2klm n VAL 136 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2klm s GLU 137 N -2.93 0.76 0.33 5.55 2.02 -0.32 -2.28 118.70 121.82 2klm s GLU 137 Ca 0.49 -1.25 -0.11 0.00 0.02 0.00 0.00 54.97 54.12 2klm s GLU 137 Cb -0.12 0.24 -0.07 0.00 0.10 0.00 0.00 34.13 34.28 2klm s GLU 137 CO 0.70 -0.19 0.68 0.08 0.02 0.00 0.00 175.26 176.55 2klm s VAL 138 N -3.95 4.83 -2.00 2.63 1.01 -1.26 -3.01 120.40 118.64 2klm s VAL 138 Ca 0.12 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.70 2klm s VAL 138 Cb 0.07 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.82 2klm s VAL 138 CO -0.06 -0.30 0.47 0.55 0.00 0.00 0.00 175.10 175.75 2klm n VAL 139 N -0.74 0.00 0.00 2.92 3.14 -0.53 -4.78 118.33 118.33 2klm n VAL 139 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2klm n VAL 139 Cb 0.53 -0.83 0.00 0.00 -1.06 0.00 0.00 33.84 32.48 2klm n VAL 139 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2klm n GLY 140 N -0.75 2.99 2.24 7.55 0.00 -1.26 -5.02 105.19 110.93 2klm n GLY 140 Ca 0.01 -1.84 -0.21 0.00 0.00 0.00 0.00 46.02 43.98 2klm n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klm n ALA 141 N -0.08 2.00 -1.64 4.61 0.00 -1.26 -4.82 120.51 119.32 2klm n ALA 141 Ca 0.00 -3.21 -0.43 0.00 0.00 0.00 0.00 53.44 49.80 2klm n ALA 141 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 2klm n ALA 141 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2klm n PRO 142 N 1.21 2.50 -0.35 0.00 -0.02 -1.26 -4.65 135.00 132.43 2klm n PRO 142 Ca 0.21 0.85 -0.01 0.00 -2.02 0.00 0.00 63.50 62.53 2klm n PRO 142 Cb 0.56 -3.08 -0.01 0.00 -0.02 0.00 0.00 33.50 30.95 2klm n PRO 142 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2klm n GLU 143 N 7.97 0.00 -4.00 -0.52 4.07 -1.26 -5.14 120.64 121.77 2klm n GLU 143 Ca 0.24 -0.12 -0.16 0.00 -0.06 0.00 0.00 57.16 57.06 2klm n GLU 143 Cb 0.42 0.19 -0.15 0.00 -0.06 0.00 0.00 31.44 31.84 2klm n GLU 143 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2klm s VAL 144 N 0.00 0.23 -0.07 6.31 1.01 -1.26 -5.13 120.40 121.48 2klm s VAL 144 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.73 2klm s VAL 144 Cb 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 36.08 2klm s VAL 144 CO 0.00 0.11 0.63 -0.75 0.00 0.00 0.00 175.10 175.09 2klm s LYS 145 N 0.49 4.40 0.20 2.72 2.20 -1.26 -4.87 119.74 123.63 2klm s LYS 145 Ca -0.05 0.75 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 2klm s LYS 145 Cb -0.08 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.81 2klm s LYS 145 CO -0.01 0.12 0.00 -3.47 -0.36 0.00 0.00 175.35 171.63 2klm n ASP 146 N 3.64 -0.81 0.00 1.43 -0.08 -1.26 -5.33 116.55 114.14 2klm n ASP 146 Ca -0.03 0.37 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 2klm n ASP 146 Cb 0.51 0.92 0.00 0.00 2.34 0.00 0.00 41.12 44.89 2klm n ASP 146 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32