#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kly n ALA 2 N 0.00 2.07 -0.12 3.04 0.00 -1.26 -4.09 120.51 120.15 2kly n ALA 2 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 2kly n ALA 2 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 2kly n ALA 2 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kly h GLY 3 N 0.69 0.76 2.00 0.00 0.00 -1.96 0.22 103.07 104.77 2kly h GLY 3 Ca -0.03 -0.63 -0.07 0.00 0.00 0.00 0.00 47.33 46.61 2kly h GLY 3 CO 0.00 0.58 -0.32 -0.84 0.00 0.00 0.00 176.54 175.96 2kly h THR 4 N 0.50 0.90 -0.03 4.70 2.02 -1.86 0.20 112.91 119.33 2kly h THR 4 Ca 0.09 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.03 2kly h THR 4 Cb 0.60 1.74 -0.00 0.00 -1.74 0.00 0.00 68.15 68.75 2kly h THR 4 CO 0.04 0.31 0.01 0.00 0.37 0.00 0.00 175.52 176.24 2kly h ALA 5 N 1.68 0.04 -0.31 6.16 0.00 -1.14 0.16 119.26 125.84 2kly h ALA 5 Ca -0.00 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.83 2kly h ALA 5 Cb 0.71 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 2kly h ALA 5 CO 0.04 -0.33 0.00 1.25 0.00 0.00 0.00 179.25 180.22 2kly h LEU 6 N -0.20 -0.12 -0.27 0.00 7.12 -0.12 0.30 115.31 122.02 2kly h LEU 6 Ca 0.01 0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.13 2kly h LEU 6 Cb 0.26 0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.48 2kly h LEU 6 CO 0.00 -0.03 0.06 0.11 -0.13 0.00 0.00 178.44 178.45 2kly h LYS 7 N 0.09 0.15 -0.56 1.25 1.57 -0.47 0.20 116.57 118.81 2kly h LYS 7 Ca 0.15 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2kly h LYS 7 Cb 0.20 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2kly h LYS 7 CO -0.25 0.10 0.06 -0.09 -0.57 0.00 0.00 179.45 178.70 2kly h ARG 8 N 0.16 0.95 0.00 3.15 9.65 -0.32 -1.88 114.38 126.08 2kly h ARG 8 Ca 0.13 -0.27 -0.07 0.00 -1.10 0.00 0.00 59.98 58.66 2kly h ARG 8 Cb 0.13 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.60 2kly h ARG 8 CO -0.17 0.93 -0.34 -0.07 2.80 0.00 0.00 179.97 183.12 2kly h LEU 9 N 0.83 0.00 -0.49 3.80 3.38 -0.71 -1.28 115.31 120.84 2kly h LEU 9 Ca 0.17 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 2kly h LEU 9 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2kly h LEU 9 CO 0.02 0.34 -0.12 0.24 0.09 0.00 0.00 178.44 179.00 2kly h MET 10 N 0.00 0.95 -0.47 1.13 2.86 -0.11 0.28 114.93 119.57 2kly h MET 10 Ca -0.00 -0.36 -0.06 0.00 -2.06 0.00 0.00 59.70 57.21 2kly h MET 10 Cb 0.73 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 2kly h MET 10 CO 0.04 1.03 0.07 0.00 1.06 0.00 0.00 176.91 179.11 2kly h ALA 11 N 0.89 0.62 0.10 6.32 0.00 -0.97 -0.26 119.26 125.95 2kly h ALA 11 Ca 0.12 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kly h ALA 11 Cb 0.68 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2kly h ALA 11 CO 0.05 0.35 -0.07 0.93 0.00 0.00 0.00 179.25 180.51 2kly h GLU 12 N 0.64 -0.17 0.19 0.00 4.39 -1.13 -1.35 114.58 117.16 2kly h GLU 12 Ca 0.14 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2kly h GLU 12 Cb 0.40 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2kly h GLU 12 CO 0.01 -0.11 -0.40 -0.92 -1.16 0.00 0.00 179.01 176.43 2kly h TYR 13 N -0.17 -1.15 -0.69 4.33 3.20 -0.29 -0.80 116.97 121.40 2kly h TYR 13 Ca -0.00 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.98 2kly h TYR 13 Cb 0.15 0.48 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 2kly h TYR 13 CO -0.09 -0.48 0.46 0.87 -1.64 0.00 0.00 178.16 177.28 2kly h LYS 14 N -0.65 0.59 -0.03 1.82 1.57 -1.07 0.14 116.57 118.94 2kly h LYS 14 Ca -0.02 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2kly h LYS 14 Cb 0.61 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2kly h LYS 14 CO -0.16 0.39 -0.35 1.96 -0.57 0.00 0.00 179.45 180.71 2kly h GLN 15 N 0.61 0.05 0.00 3.15 7.50 -0.76 0.14 115.11 125.79 2kly h GLN 15 Ca 0.31 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.45 2kly h GLN 15 Cb 0.43 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.96 2kly h GLN 15 CO -0.10 0.40 0.00 1.28 -1.50 0.00 0.00 178.83 178.90 2kly n LEU 16 N -4.11 0.00 -0.12 1.46 4.77 0.43 0.63 117.00 120.06 2kly n LEU 16 Ca -0.02 0.03 -0.25 0.00 -0.03 0.00 0.00 56.01 55.75 2kly n LEU 16 Cb 0.40 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 2kly n LEU 16 CO 0.39 -0.01 -1.27 0.41 -1.33 0.00 0.00 177.39 175.58 2kly n THR 17 N -1.03 1.54 -0.05 -5.08 -1.04 0.32 -4.54 114.28 104.39 2kly n THR 17 Ca 0.17 -0.43 -0.14 0.00 -2.04 0.00 0.00 64.05 61.61 2kly n THR 17 Cb 0.09 -1.74 -0.07 0.00 -1.82 0.00 0.00 70.33 66.78 2kly n THR 17 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2kly h LEU 18 N -0.61 0.46 -8.63 -4.42 4.07 -0.91 -3.44 115.31 101.84 2kly h LEU 18 Ca -0.61 -0.54 -0.66 0.00 0.08 0.00 0.00 57.88 56.16 2kly h LEU 18 Cb 1.70 -0.13 -0.22 0.00 1.08 0.00 0.00 40.66 43.09 2kly h LEU 18 CO -0.26 0.91 -0.58 0.20 -1.08 0.00 0.00 178.44 177.62 2kly s ASN 19 N -6.30 5.41 -0.59 -0.43 0.01 0.20 -5.05 114.94 108.20 2kly s ASN 19 Ca -0.14 -0.34 -0.16 0.00 -0.71 0.00 0.00 52.86 51.51 2kly s ASN 19 Cb 0.05 -1.98 0.14 0.00 0.41 0.00 0.00 41.25 39.87 2kly s ASN 19 CO 0.78 -0.11 0.58 -2.16 -1.51 0.00 0.00 177.10 174.68 2kly s PRO 20 N 1.63 3.09 0.00 -0.60 0.04 -1.26 -4.43 135.00 133.46 2kly s PRO 20 Ca 0.06 -1.74 0.00 0.00 0.04 0.00 0.00 61.00 59.35 2kly s PRO 20 Cb -0.16 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2kly s PRO 20 CO 0.06 -1.37 0.00 -0.35 0.04 0.00 0.00 177.00 175.38 2kly n PRO 21 N 5.29 0.00 -3.28 0.56 -0.04 -1.26 -5.00 135.00 131.27 2kly n PRO 21 Ca -0.09 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.40 2kly n PRO 21 Cb 0.41 -0.10 -0.04 0.00 -0.04 0.00 0.00 33.50 33.74 2kly n PRO 21 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2kly s GLU 22 N 0.00 0.16 -0.75 0.54 -1.05 -1.26 -5.00 118.70 111.35 2kly s GLU 22 Ca 0.00 0.40 -0.00 0.00 -0.15 0.00 0.00 54.97 55.22 2kly s GLU 22 Cb 0.00 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 2kly s GLU 22 CO 0.00 -0.07 0.01 0.41 0.95 0.00 0.00 175.26 176.57 2kly n GLY 23 N 4.83 0.01 3.12 -3.83 0.00 -1.26 -4.94 105.19 103.12 2kly n GLY 23 Ca -0.08 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 2kly n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kly s ILE 24 N -2.46 2.08 -0.20 -0.61 -1.09 -1.26 -2.07 121.20 115.59 2kly s ILE 24 Ca 0.01 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 2kly s ILE 24 Cb -0.00 -1.89 0.05 0.00 -1.58 0.00 0.00 42.46 39.03 2kly s ILE 24 CO 0.01 0.50 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.45 2kly s VAL 25 N 1.28 1.49 -0.11 2.92 1.01 -1.08 -4.97 120.40 120.94 2kly s VAL 25 Ca 0.04 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 2kly s VAL 25 Cb -0.13 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.64 2kly s VAL 25 CO -0.12 0.09 0.32 0.00 0.00 0.00 0.00 175.10 175.39 2kly s ALA 26 N 1.45 -0.80 -0.01 5.51 0.00 -1.26 0.57 121.76 127.23 2kly s ALA 26 Ca -0.02 0.85 -0.23 0.00 0.00 0.00 0.00 51.96 52.56 2kly s ALA 26 Cb -0.17 -0.47 0.05 0.00 0.00 0.00 0.00 23.12 22.53 2kly s ALA 26 CO -0.08 -0.16 0.52 0.20 0.00 0.00 0.00 175.76 176.24 2kly s GLY 27 N 0.02 -0.40 0.53 0.00 0.00 -0.61 -4.99 107.32 101.86 2kly s GLY 27 Ca -0.01 0.78 -0.22 0.00 0.00 0.00 0.00 44.72 45.27 2kly s GLY 27 CO 0.01 0.49 1.26 -4.14 0.00 0.00 0.00 173.10 170.71 2kly s PRO 28 N -1.65 3.32 -0.96 2.90 0.02 -1.26 -0.72 135.00 136.64 2kly s PRO 28 Ca -0.10 1.99 -0.23 0.00 0.02 0.00 0.00 61.00 62.68 2kly s PRO 28 Cb -0.02 -2.24 0.06 0.00 0.02 0.00 0.00 34.50 32.32 2kly s PRO 28 CO 0.04 -0.97 1.38 -1.64 -0.33 0.00 0.00 177.00 175.48 2kly s MET 29 N -2.92 3.52 0.06 5.54 -1.94 -0.63 -4.55 119.30 118.38 2kly s MET 29 Ca 0.70 -1.06 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 2kly s MET 29 Cb -0.34 -5.12 0.00 0.00 2.01 0.00 0.00 34.83 31.38 2kly s MET 29 CO 0.40 -2.14 0.00 -1.71 -0.01 0.00 0.00 175.02 171.56 2kly n ASN 30 N 8.68 -3.65 0.00 3.03 5.15 -1.26 -4.49 115.26 122.71 2kly n ASN 30 Ca 0.27 0.32 0.05 0.00 -0.60 0.00 0.00 54.58 54.62 2kly n ASN 30 Cb 0.50 -1.61 0.32 0.00 -0.53 0.00 0.00 39.78 38.47 2kly n ASN 30 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2kly n GLU 31 N 0.29 0.35 0.12 1.20 1.02 -1.26 -1.07 120.64 121.29 2kly n GLU 31 Ca 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 2kly n GLU 31 Cb 0.00 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 29.96 2kly n GLU 31 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kly h GLU 32 N 0.00 0.00 -3.06 3.49 5.08 -1.96 -3.41 114.58 114.72 2kly h GLU 32 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 2kly h GLU 32 Cb 0.00 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.85 2kly h GLU 32 CO 0.00 0.18 -0.72 1.21 -1.00 0.00 0.00 179.01 178.69 2kly s ASN 33 N -5.92 3.77 0.00 1.42 2.47 -0.23 -4.95 114.94 111.50 2kly s ASN 33 Ca 0.02 -2.72 0.12 0.00 0.42 0.00 0.00 52.86 50.69 2kly s ASN 33 Cb 0.08 -1.15 0.49 0.00 -1.45 0.00 0.00 41.25 39.22 2kly s ASN 33 CO 0.76 -0.26 1.35 0.49 -3.72 0.00 0.00 177.10 175.72 2kly n PHE 34 N 3.43 0.18 0.56 0.43 3.01 -1.26 -3.74 117.46 120.07 2kly n PHE 34 Ca 0.08 -0.09 0.09 0.00 1.01 0.00 0.00 57.45 58.54 2kly n PHE 34 Cb 0.34 0.00 0.24 0.00 -0.01 0.00 0.00 39.48 40.06 2kly n PHE 34 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2kly n PHE 35 N -0.10 0.56 -3.70 1.38 3.72 -1.26 -4.77 117.46 113.30 2kly n PHE 35 Ca 0.10 -0.28 -0.11 0.00 -0.05 0.00 0.00 57.45 57.11 2kly n PHE 35 Cb 0.17 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.60 2kly n PHE 35 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2kly s GLU 36 N -1.44 0.41 0.18 -1.08 -1.05 -1.24 -0.14 118.70 114.34 2kly s GLU 36 Ca 0.33 0.78 0.08 0.00 -0.15 0.00 0.00 54.97 56.02 2kly s GLU 36 Cb 0.18 0.01 -0.04 0.00 -0.44 0.00 0.00 34.13 33.83 2kly s GLU 36 CO 0.24 -0.15 -0.17 -1.58 0.95 0.00 0.00 175.26 174.55 2kly s TRP 37 N 1.27 1.80 -0.07 4.83 0.52 -0.27 -1.61 118.94 125.42 2kly s TRP 37 Ca -0.08 -0.49 0.02 0.00 0.02 0.00 0.00 56.10 55.57 2kly s TRP 37 Cb -0.08 -0.88 -0.03 0.00 -1.15 0.00 0.00 33.47 31.33 2kly s TRP 37 CO -0.11 0.34 -0.11 -2.00 0.02 0.00 0.00 176.95 175.09 2kly s GLU 38 N -2.98 2.73 0.01 4.98 2.12 0.10 -1.20 118.70 124.46 2kly s GLU 38 Ca 0.17 -0.62 0.03 0.00 0.36 0.00 0.00 54.97 54.91 2kly s GLU 38 Cb -0.05 -2.51 -0.01 0.00 0.26 0.00 0.00 34.13 31.82 2kly s GLU 38 CO 0.07 0.59 -0.09 0.00 -0.54 0.00 0.00 175.26 175.28 2kly s ALA 39 N -0.63 0.77 -0.23 6.30 0.00 0.44 -1.57 121.76 126.83 2kly s ALA 39 Ca 0.09 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.49 2kly s ALA 39 Cb -0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.84 2kly s ALA 39 CO 0.01 0.16 0.03 -0.51 0.00 0.00 0.00 175.76 175.45 2kly s LEU 40 N -0.55 3.24 -0.50 0.00 2.01 0.19 -0.39 118.68 122.69 2kly s LEU 40 Ca 0.01 -0.26 -0.11 0.00 0.01 0.00 0.00 54.13 53.77 2kly s LEU 40 Cb -0.05 -1.85 0.12 0.00 0.01 0.00 0.00 46.19 44.42 2kly s LEU 40 CO 0.00 -0.02 0.40 -0.63 1.01 0.00 0.00 176.35 177.12 2kly s ILE 41 N 1.50 4.55 -0.17 -0.59 -1.09 0.28 -2.63 121.20 123.05 2kly s ILE 41 Ca 0.06 -1.72 -0.29 0.00 -2.23 0.00 0.00 60.65 56.47 2kly s ILE 41 Cb -0.15 -3.97 -0.01 0.00 -1.58 0.00 0.00 42.46 36.76 2kly s ILE 41 CO 0.01 -0.81 1.15 -0.04 -1.23 0.00 0.00 174.94 174.02 2kly s MET 42 N 1.41 4.28 -0.02 2.79 -1.94 -0.88 -0.97 119.30 123.98 2kly s MET 42 Ca 0.05 1.53 -0.37 0.00 -1.71 0.00 0.00 55.69 55.18 2kly s MET 42 Cb -0.27 -3.67 -0.16 0.00 2.01 0.00 0.00 34.83 32.74 2kly s MET 42 CO 0.00 -0.60 1.50 0.41 -0.01 0.00 0.00 175.02 176.33 2kly n GLY 43 N 3.42 0.69 3.59 -0.03 0.00 0.29 -4.84 105.19 108.31 2kly n GLY 43 Ca 0.12 0.77 -0.49 0.00 0.00 0.00 0.00 46.02 46.42 2kly n GLY 43 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kly n PRO 44 N 3.61 1.23 -2.04 1.61 -0.02 -1.26 -3.99 135.00 134.15 2kly n PRO 44 Ca 0.21 0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 61.74 2kly n PRO 44 Cb 0.19 -1.98 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 2kly n PRO 44 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2kly s GLU 45 N -0.23 3.65 -0.55 -0.52 8.01 -1.26 -3.27 118.70 124.53 2kly s GLU 45 Ca 0.75 2.06 0.00 0.00 0.01 0.00 0.00 54.97 57.78 2kly s GLU 45 Cb -0.85 -2.49 0.00 0.00 -4.31 0.00 0.00 34.13 26.48 2kly s GLU 45 CO 0.51 -0.73 0.00 -3.47 0.01 0.00 0.00 175.26 171.58 2kly n ASP 46 N -0.43 -2.89 -4.45 -0.19 2.03 -1.26 -5.01 116.55 104.35 2kly n ASP 46 Ca 0.07 0.05 -0.24 0.00 0.52 0.00 0.00 54.79 55.19 2kly n ASP 46 Cb 0.45 -1.75 -0.10 0.00 -0.72 0.00 0.00 41.12 39.00 2kly n ASP 46 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2kly s THR 47 N -2.27 1.23 -1.22 5.18 -4.23 -1.20 -5.01 115.64 108.11 2kly s THR 47 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2kly s THR 47 Cb 0.00 -2.71 0.19 0.00 1.34 0.00 0.00 72.50 71.32 2kly s THR 47 CO 0.00 0.00 0.93 0.00 -0.54 0.00 0.00 174.62 175.01 2kly n PHE 49 N 0.12 0.00 -1.23 0.00 3.72 -1.26 -3.59 117.46 115.22 2kly n PHE 49 Ca 0.07 -0.14 -0.31 0.00 -0.05 0.00 0.00 57.45 57.02 2kly n PHE 49 Cb 0.37 -0.01 0.10 0.00 -0.94 0.00 0.00 39.48 39.00 2kly n PHE 49 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2kly s GLU 50 N -0.28 2.15 0.00 -1.08 -1.05 -1.20 -3.31 118.70 113.94 2kly s GLU 50 Ca 0.00 1.17 0.00 0.00 -0.15 0.00 0.00 54.97 55.99 2kly s GLU 50 Cb 0.00 -1.88 0.00 0.00 -0.44 0.00 0.00 34.13 31.81 2kly s GLU 50 CO 0.00 -1.72 0.00 1.19 0.95 0.00 0.00 175.26 175.68 2kly n PHE 51 N -3.58 0.00 -2.57 4.83 3.72 -1.26 -4.86 117.46 113.75 2kly n PHE 51 Ca 0.09 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.17 2kly n PHE 51 Cb 0.53 -0.16 -0.04 0.00 -0.94 0.00 0.00 39.48 38.87 2kly n PHE 51 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2kly s GLY 52 N -1.55 2.10 -0.36 1.37 0.00 -1.21 -4.86 107.32 102.81 2kly s GLY 52 Ca 0.00 0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.89 2kly s GLY 52 CO 0.00 0.40 0.11 0.14 0.00 0.00 0.00 173.10 173.75 2kly s VAL 53 N -2.49 1.84 -0.42 1.40 1.01 -1.26 -0.54 120.40 119.94 2kly s VAL 53 Ca 0.58 -2.21 -0.15 0.00 0.00 0.00 0.00 61.98 60.20 2kly s VAL 53 Cb -0.10 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.96 2kly s VAL 53 CO 0.28 -0.67 0.31 -0.36 0.00 0.00 0.00 175.10 174.65 2kly s PHE 54 N 0.91 3.24 0.24 5.22 0.08 -0.14 -4.84 117.98 122.69 2kly s PHE 54 Ca 0.12 -0.67 -0.30 0.00 0.12 0.00 0.00 56.93 56.20 2kly s PHE 54 Cb -0.20 -2.66 -0.09 0.00 -0.57 0.00 0.00 43.02 39.50 2kly s PHE 54 CO -0.11 -0.62 0.96 -1.25 -0.10 0.00 0.00 175.22 174.10 2kly s PRO 55 N 1.66 4.82 0.09 0.24 0.04 -1.26 -0.56 135.00 140.04 2kly s PRO 55 Ca 0.05 1.54 -0.07 0.00 0.04 0.00 0.00 61.00 62.56 2kly s PRO 55 Cb -0.20 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.06 2kly s PRO 55 CO 0.09 0.47 0.15 0.00 0.04 0.00 0.00 177.00 177.75 2kly s ALA 56 N -1.16 0.01 -0.06 8.56 0.00 0.47 -2.02 121.76 127.56 2kly s ALA 56 Ca 0.42 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.61 2kly s ALA 56 Cb -0.27 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 2kly s ALA 56 CO 0.33 -0.49 -0.24 0.42 0.00 0.00 0.00 175.76 175.78 2kly s ILE 57 N -3.89 1.95 -0.19 0.00 1.01 0.33 -0.42 121.20 119.98 2kly s ILE 57 Ca 0.08 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 2kly s ILE 57 Cb 0.05 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.87 2kly s ILE 57 CO -0.09 0.54 -0.14 -0.76 0.00 0.00 0.00 174.94 174.50 2kly s LEU 58 N -0.07 2.45 -0.19 2.97 1.02 -0.34 -1.94 118.68 122.58 2kly s LEU 58 Ca -0.06 -0.53 -0.06 0.00 0.02 0.00 0.00 54.13 53.50 2kly s LEU 58 Cb -0.14 -1.58 -0.03 0.00 0.02 0.00 0.00 46.19 44.46 2kly s LEU 58 CO 0.04 0.00 0.03 -0.94 0.02 0.00 0.00 176.35 175.50 2kly s SER 59 N 1.29 5.18 -0.11 2.29 1.04 0.41 -1.11 113.70 122.69 2kly s SER 59 Ca 0.04 -0.09 -0.04 0.00 0.48 0.00 0.00 55.95 56.34 2kly s SER 59 Cb -0.14 -1.89 -0.04 0.00 0.10 0.00 0.00 66.02 64.06 2kly s SER 59 CO -0.08 0.10 0.06 -0.36 0.98 0.00 0.00 173.24 173.94 2kly s PHE 60 N 0.77 3.32 0.54 5.02 0.08 0.81 -0.71 117.98 127.81 2kly s PHE 60 Ca 0.02 0.29 -0.10 0.00 0.12 0.00 0.00 56.93 57.26 2kly s PHE 60 Cb -0.14 -1.88 -0.05 0.00 -0.57 0.00 0.00 43.02 40.39 2kly s PHE 60 CO 0.02 0.52 0.92 -1.25 -0.10 0.00 0.00 175.22 175.33 2kly s PRO 61 N -0.77 3.65 0.00 0.24 0.04 -1.26 -4.81 135.00 132.08 2kly s PRO 61 Ca 0.12 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2kly s PRO 61 Cb -0.12 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2kly s PRO 61 CO 0.03 -0.36 1.52 1.28 0.04 0.00 0.00 177.00 179.51 2kly n LEU 62 N -2.29 4.14 0.00 -3.56 4.77 -1.26 -2.53 117.00 116.27 2kly n LEU 62 Ca 0.04 -1.90 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 2kly n LEU 62 Cb 0.54 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 2kly n LEU 62 CO 0.54 0.77 0.01 0.47 -1.33 0.00 0.00 177.39 177.84 2kly n ASP 63 N 1.31 0.03 -4.69 -1.43 8.00 -1.26 -4.12 116.55 114.39 2kly n ASP 63 Ca 0.00 -0.23 -0.44 0.00 0.71 0.00 0.00 54.79 54.83 2kly n ASP 63 Cb 0.44 0.26 -0.03 0.00 -0.02 0.00 0.00 41.12 41.77 2kly n ASP 63 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kly n TYR 64 N -0.26 2.31 -3.12 1.24 9.36 -1.05 -1.54 117.16 124.10 2kly n TYR 64 Ca 0.00 0.38 -0.45 0.00 3.32 0.00 0.00 57.90 61.14 2kly n TYR 64 Cb 0.02 -2.50 -0.03 0.00 -0.63 0.00 0.00 39.34 36.20 2kly n TYR 64 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2kly s PRO 65 N -0.27 3.45 0.00 2.98 0.04 -1.26 -2.48 135.00 137.46 2kly s PRO 65 Ca 0.69 -1.90 0.00 0.00 0.04 0.00 0.00 61.00 59.83 2kly s PRO 65 Cb -0.62 -4.56 0.00 0.00 0.04 0.00 0.00 34.50 29.36 2kly s PRO 65 CO 0.48 -1.54 0.00 1.28 0.04 0.00 0.00 177.00 177.26 2kly n LEU 66 N 5.56 0.00 -4.35 -3.56 4.77 -0.59 -4.72 117.00 114.11 2kly n LEU 66 Ca 0.11 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.77 2kly n LEU 66 Cb 0.46 0.01 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 2kly n LEU 66 CO 0.46 -0.04 -0.51 -0.55 -1.33 0.00 0.00 177.39 175.42 2kly s SER 67 N -2.74 3.54 0.21 -1.43 0.15 -1.26 -5.00 113.70 107.16 2kly s SER 67 Ca 0.00 -0.38 -0.31 0.00 0.70 0.00 0.00 55.95 55.96 2kly s SER 67 Cb 0.00 -0.95 -0.11 0.00 -1.71 0.00 0.00 66.02 63.25 2kly s SER 67 CO 0.00 0.27 1.58 -2.16 1.20 0.00 0.00 173.24 174.13 2kly s PRO 68 N -0.27 4.19 0.68 5.44 0.04 -1.26 -4.67 135.00 139.14 2kly s PRO 68 Ca 0.01 2.43 -0.16 0.00 0.04 0.00 0.00 61.00 63.32 2kly s PRO 68 Cb -0.13 -3.11 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2kly s PRO 68 CO 0.03 -0.61 1.19 -1.25 0.04 0.00 0.00 177.00 176.40 2kly s PRO 69 N 0.62 2.51 0.19 0.56 0.04 -1.26 -4.87 135.00 132.79 2kly s PRO 69 Ca 0.68 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 63.39 2kly s PRO 69 Cb -0.45 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 2kly s PRO 69 CO 0.36 -1.54 0.44 0.21 0.04 0.00 0.00 177.00 176.51 2kly s LYS 70 N -3.76 3.62 -0.14 4.56 2.20 0.11 -4.88 119.74 121.45 2kly s LYS 70 Ca 0.74 -0.08 -0.08 0.00 -0.36 0.00 0.00 55.97 56.19 2kly s LYS 70 Cb -0.28 -2.78 0.05 0.00 -1.51 0.00 0.00 37.83 33.31 2kly s LYS 70 CO 0.41 0.38 0.35 1.41 -0.36 0.00 0.00 175.35 177.54 2kly s MET 71 N -2.99 0.33 -0.01 4.03 -2.45 -1.26 -0.44 119.30 116.52 2kly s MET 71 Ca 0.42 0.65 -0.08 0.00 -1.25 0.00 0.00 55.69 55.43 2kly s MET 71 Cb -0.11 -0.02 0.00 0.00 1.25 0.00 0.00 34.83 35.95 2kly s MET 71 CO 0.26 -0.14 0.15 -0.98 1.05 0.00 0.00 175.02 175.36 2kly s ARG 72 N 1.13 0.46 0.03 4.11 1.70 -0.82 -0.19 118.95 125.38 2kly s ARG 72 Ca -0.08 -0.31 -0.18 0.00 -0.47 0.00 0.00 55.73 54.69 2kly s ARG 72 Cb -0.08 0.20 -0.06 0.00 -0.57 0.00 0.00 34.95 34.44 2kly s ARG 72 CO -0.09 -0.11 0.52 -0.06 -1.08 0.00 0.00 175.30 174.48 2kly s PHE 73 N -1.21 3.75 -0.07 5.89 0.08 -1.07 -0.51 117.98 124.84 2kly s PHE 73 Ca -0.13 1.17 -0.11 0.00 0.12 0.00 0.00 56.93 57.98 2kly s PHE 73 Cb -0.07 -2.46 -0.29 0.00 -0.57 0.00 0.00 43.02 39.63 2kly s PHE 73 CO 0.02 0.55 0.59 1.79 -0.10 0.00 0.00 175.22 178.06 2kly h THR 74 N 3.73 0.89 -3.82 0.64 1.35 -1.77 -3.46 112.91 110.47 2kly h THR 74 Ca -0.49 -2.46 -0.46 0.00 -0.55 0.00 0.00 66.41 62.45 2kly h THR 74 Cb 1.21 2.70 0.09 0.00 -1.73 0.00 0.00 68.15 70.42 2kly h THR 74 CO 0.64 0.84 0.27 0.00 -0.25 0.00 0.00 175.52 177.02 2kly s GLU 76 N -5.35 3.05 0.25 0.00 -1.05 -1.26 -5.04 118.70 109.30 2kly s GLU 76 Ca 0.62 1.23 -0.21 0.00 -0.15 0.00 0.00 54.97 56.46 2kly s GLU 76 Cb -0.10 -1.99 0.06 0.00 -0.44 0.00 0.00 34.13 31.66 2kly s GLU 76 CO 0.46 -1.03 0.90 1.41 0.95 0.00 0.00 175.26 177.95 2kly s MET 77 N -4.25 1.63 -0.29 -4.83 1.75 -1.26 -4.96 119.30 107.10 2kly s MET 77 Ca 0.64 -1.00 0.01 0.00 -1.25 0.00 0.00 55.69 54.09 2kly s MET 77 Cb -0.17 0.49 0.15 0.00 2.84 0.00 0.00 34.83 38.14 2kly s MET 77 CO 0.42 -0.76 0.39 0.12 -0.65 0.00 0.00 175.02 174.54 2kly s PHE 78 N -2.74 -0.91 -0.16 4.11 5.36 -1.26 -5.10 117.98 117.28 2kly s PHE 78 Ca 0.16 0.29 -0.12 0.00 -0.96 0.00 0.00 56.93 56.30 2kly s PHE 78 Cb -0.04 -0.19 0.05 0.00 -0.34 0.00 0.00 43.02 42.51 2kly s PHE 78 CO 0.07 -0.96 0.41 -1.58 -1.46 0.00 0.00 175.22 171.70 2kly s HIS 79 N 2.52 -0.52 0.46 10.12 2.46 -1.26 -4.83 115.29 124.23 2kly s HIS 79 Ca 0.10 1.19 0.12 0.00 0.47 0.00 0.00 55.06 56.94 2kly s HIS 79 Cb -0.13 0.21 1.06 0.00 -0.13 0.00 0.00 32.58 33.59 2kly s HIS 79 CO -0.29 -0.28 2.08 -1.00 -2.47 0.00 0.00 174.74 172.77 2kly h PRO 80 N 6.28 0.30 -0.70 2.88 0.13 -1.84 -1.07 132.00 137.98 2kly h PRO 80 Ca -0.32 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2kly h PRO 80 Cb 1.18 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2kly h PRO 80 CO 0.27 0.20 0.00 -1.71 -0.23 0.00 0.00 178.00 176.53 2kly n ASN 81 N -4.49 0.88 -4.05 1.44 5.15 -1.24 -1.31 115.26 111.65 2kly n ASN 81 Ca 0.02 -2.03 -0.24 0.00 -0.60 0.00 0.00 54.58 51.74 2kly n ASN 81 Cb 0.15 -0.36 -0.16 0.00 -0.53 0.00 0.00 39.78 38.88 2kly n ASN 81 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2kly s ILE 82 N -1.34 1.13 0.82 -1.44 1.01 -0.41 -1.14 121.20 119.84 2kly s ILE 82 Ca 0.02 -0.52 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 2kly s ILE 82 Cb 0.01 -1.01 0.08 0.00 0.01 0.00 0.00 42.46 41.56 2kly s ILE 82 CO 0.01 0.34 1.09 -0.31 0.00 0.00 0.00 174.94 176.07 2kly s TYR 83 N 0.35 2.65 0.47 3.97 2.02 0.29 -3.22 117.35 123.88 2kly s TYR 83 Ca -0.08 1.25 0.26 0.00 -0.37 0.00 0.00 57.07 58.14 2kly s TYR 83 Cb -0.13 -3.11 1.51 0.00 -0.40 0.00 0.00 41.96 39.84 2kly s TYR 83 CO 0.02 -1.95 2.12 -1.35 -1.57 0.00 0.00 175.55 172.83 2kly h PRO 84 N -1.22 0.00 0.00 -1.71 0.11 -1.87 -0.20 132.00 127.11 2kly h PRO 84 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2kly h PRO 84 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2kly h PRO 84 CO 0.57 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 2kly n ASP 85 N -3.79 0.00 0.00 -2.05 9.92 -1.26 -4.86 116.55 114.51 2kly n ASP 85 Ca -0.02 -0.30 0.00 0.00 -0.53 0.00 0.00 54.79 53.94 2kly n ASP 85 Cb 0.19 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.50 2kly n ASP 85 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kly n GLY 86 N 0.51 3.03 3.74 0.44 0.00 -0.08 -4.96 105.19 107.87 2kly n GLY 86 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2kly n GLY 86 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kly n ARG 87 N -2.00 2.57 -2.91 1.61 0.63 -1.26 -2.59 116.66 112.72 2kly n ARG 87 Ca 0.00 0.91 -0.41 0.00 -0.92 0.00 0.00 57.85 57.44 2kly n ARG 87 Cb 0.00 -2.66 -0.04 0.00 0.45 0.00 0.00 32.46 30.21 2kly n ARG 87 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2kly s VAL 88 N -0.30 4.94 -0.31 5.15 1.01 0.73 -0.55 120.40 131.07 2kly s VAL 88 Ca 0.62 1.71 -0.04 0.00 0.00 0.00 0.00 61.98 64.27 2kly s VAL 88 Cb -0.52 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 31.75 2kly s VAL 88 CO 0.52 0.23 0.04 0.00 0.00 0.00 0.00 175.10 175.89 2kly s ILE 90 N 1.31 -0.02 0.54 0.00 1.01 -1.26 -4.63 121.20 118.15 2kly s ILE 90 Ca -0.04 0.08 0.32 0.00 0.00 0.00 0.00 60.65 61.01 2kly s ILE 90 Cb -0.20 -0.21 0.48 0.00 0.01 0.00 0.00 42.46 42.54 2kly s ILE 90 CO 0.00 0.03 1.87 0.28 0.00 0.00 0.00 174.94 177.13 2kly h SER 91 N 6.54 0.00 -0.17 3.58 0.02 -1.93 0.22 113.55 121.81 2kly h SER 91 Ca -0.33 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 2kly h SER 91 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2kly h SER 91 CO 0.43 0.00 0.03 -0.29 -1.14 0.00 0.00 176.83 175.85 2kly h ILE 92 N 0.00 1.22 -0.01 3.27 2.10 -1.77 -3.11 117.51 119.20 2kly h ILE 92 Ca 0.42 -0.71 0.00 0.00 1.08 0.00 0.00 64.86 65.65 2kly h ILE 92 Cb 1.74 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 38.84 2kly h ILE 92 CO -0.00 0.21 -0.19 0.18 -1.08 0.00 0.00 178.15 177.27 2kly n LEU 93 N -4.78 1.04 -0.03 2.19 4.77 0.60 -2.58 117.00 118.21 2kly n LEU 93 Ca -0.05 -0.27 -0.01 0.00 -0.03 0.00 0.00 56.01 55.65 2kly n LEU 93 Cb 0.18 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2kly n LEU 93 CO 0.36 0.19 -0.09 -0.74 -1.33 0.00 0.00 177.39 175.77 2kly h HIS 94 N 1.34 0.00 -2.44 -1.77 2.76 -1.02 -3.44 115.15 110.59 2kly h HIS 94 Ca 0.00 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 2kly h HIS 94 Cb 0.48 0.00 -0.23 0.00 1.55 0.00 0.00 27.41 29.21 2kly h HIS 94 CO 0.00 0.00 -0.11 0.00 -1.30 0.00 0.00 177.93 176.52 2kly s ALA 95 N -2.79 -1.33 -2.00 5.26 0.00 -1.19 -4.95 121.76 114.76 2kly s ALA 95 Ca -0.04 1.57 0.21 0.00 0.00 0.00 0.00 51.96 53.71 2kly s ALA 95 Cb 0.01 -0.92 1.28 0.00 0.00 0.00 0.00 23.12 23.48 2kly s ALA 95 CO 0.06 -0.26 1.77 -0.35 0.00 0.00 0.00 175.76 176.98 2kly n PRO 96 N 3.07 0.93 -1.93 0.00 -0.04 -1.26 -3.90 135.00 131.86 2kly n PRO 96 Ca -0.15 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.30 2kly n PRO 96 Cb 0.56 -1.36 0.01 0.00 -0.04 0.00 0.00 33.50 32.68 2kly n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kly n GLY 97 N 0.73 -0.52 0.00 0.55 0.00 -1.26 -4.47 105.19 100.22 2kly n GLY 97 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2kly n GLY 97 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kly n ASP 98 N -0.33 0.48 -2.53 1.61 -0.08 -1.25 -5.06 116.55 109.39 2kly n ASP 98 Ca -0.09 -0.04 -0.02 0.00 -1.51 0.00 0.00 54.79 53.13 2kly n ASP 98 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 2kly n ASP 98 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kly n ASP 99 N -0.11 -6.90 -3.74 1.67 8.00 -1.26 -4.84 116.55 109.38 2kly n ASP 99 Ca 0.00 0.91 -0.42 0.00 0.71 0.00 0.00 54.79 55.98 2kly n ASP 99 Cb 0.00 -4.56 -0.04 0.00 -0.02 0.00 0.00 41.12 36.50 2kly n ASP 99 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2kly n PRO 100 N 0.24 1.91 0.10 -0.24 -0.04 -1.26 -4.60 135.00 131.11 2kly n PRO 100 Ca 0.04 -2.12 0.04 0.00 -0.04 0.00 0.00 63.50 61.41 2kly n PRO 100 Cb 0.14 -3.08 -0.00 0.00 -0.04 0.00 0.00 33.50 30.51 2kly n PRO 100 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2kly h MET 101 N 7.51 0.00 0.00 0.54 2.86 -1.95 -3.47 114.93 120.42 2kly h MET 101 Ca 0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 2kly h MET 101 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2kly h MET 101 CO 1.89 0.31 0.00 0.41 1.06 0.00 0.00 176.91 180.58 2kly n GLY 102 N 1.27 0.54 3.78 8.32 0.00 -1.26 -4.99 105.19 112.85 2kly n GLY 102 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2kly n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kly s TYR 103 N -2.40 2.75 0.00 1.61 1.51 -1.26 -5.06 117.35 114.50 2kly s TYR 103 Ca 0.00 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 2kly s TYR 103 Cb 0.00 -3.21 0.00 0.00 -0.11 0.00 0.00 41.96 38.64 2kly s TYR 103 CO 0.00 -1.42 0.00 -0.85 -1.11 0.00 0.00 175.55 172.17 2kly n GLU 104 N -1.43 2.24 0.00 -0.62 0.28 -1.26 -4.90 120.64 114.95 2kly n GLU 104 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 2kly n GLU 104 Cb 0.51 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.38 2kly n GLU 104 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2kly n SER 105 N -0.88 0.00 -3.67 -1.84 2.88 -1.26 -4.60 113.62 104.26 2kly n SER 105 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 2kly n SER 105 Cb 0.00 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 2kly n SER 105 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kly s SER 106 N 0.00 -0.23 -0.33 -3.46 0.15 -1.26 -5.04 113.70 103.53 2kly s SER 106 Ca 0.00 0.89 0.08 0.00 0.70 0.00 0.00 55.95 57.62 2kly s SER 106 Cb 0.00 1.06 0.31 0.00 -1.71 0.00 0.00 66.02 65.67 2kly s SER 106 CO 0.00 -0.22 1.29 0.00 1.20 0.00 0.00 173.24 175.51 2kly n ALA 107 N 5.03 0.87 -1.41 5.45 0.00 -1.26 -4.91 120.51 124.28 2kly n ALA 107 Ca -0.13 -0.94 -0.29 0.00 0.00 0.00 0.00 53.44 52.08 2kly n ALA 107 Cb 0.51 -0.90 0.14 0.00 0.00 0.00 0.00 19.45 19.20 2kly n ALA 107 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2kly s GLU 108 N 0.13 1.11 0.20 0.00 -1.05 -1.26 -4.89 118.70 112.95 2kly s GLU 108 Ca 0.13 0.46 0.06 0.00 -0.15 0.00 0.00 54.97 55.46 2kly s GLU 108 Cb 0.32 -1.82 -0.05 0.00 -0.44 0.00 0.00 34.13 32.14 2kly s GLU 108 CO -0.08 -2.26 -0.09 1.03 0.95 0.00 0.00 175.26 174.81 2kly s ARG 109 N -5.14 1.28 -0.32 -4.83 1.81 -1.26 -2.46 118.95 108.02 2kly s ARG 109 Ca 0.64 -1.59 -0.28 0.00 -1.72 0.00 0.00 55.73 52.78 2kly s ARG 109 Cb -0.16 -0.87 -0.06 0.00 -0.45 0.00 0.00 34.95 33.41 2kly s ARG 109 CO 0.55 0.07 2.30 1.87 -0.68 0.00 0.00 175.30 179.41 2kly n TRP 110 N -0.36 1.76 -4.08 -0.53 -0.00 -1.07 -4.87 117.44 108.29 2kly n TRP 110 Ca -0.08 -0.03 -0.22 0.00 -0.00 0.00 0.00 57.50 57.18 2kly n TRP 110 Cb 0.62 -2.69 -0.05 0.00 -0.00 0.00 0.00 31.31 29.19 2kly n TRP 110 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2kly s SER 111 N 9.66 5.27 0.00 5.87 0.01 -1.26 -4.61 113.70 128.63 2kly s SER 111 Ca 1.01 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.87 2kly s SER 111 Cb -0.30 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 64.74 2kly s SER 111 CO 0.33 -0.12 0.70 -2.65 0.41 0.00 0.00 173.24 171.91 2kly n PRO 112 N -1.18 0.00 -3.19 12.44 -0.02 -1.26 -2.42 135.00 139.37 2kly n PRO 112 Ca -0.06 0.23 -0.21 0.00 -2.02 0.00 0.00 63.50 61.44 2kly n PRO 112 Cb 0.59 -1.53 -0.05 0.00 -0.02 0.00 0.00 33.50 32.49 2kly n PRO 112 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2kly n VAL 113 N -1.20 -0.37 0.37 -1.45 3.14 -1.26 -4.87 118.33 112.69 2kly n VAL 113 Ca 0.00 -4.31 0.12 0.00 -2.96 0.00 0.00 64.34 57.19 2kly n VAL 113 Cb 0.03 -1.18 0.12 0.00 -1.06 0.00 0.00 33.84 31.75 2kly n VAL 113 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 2kly h GLN 114 N 3.53 0.00 -3.68 1.45 1.08 -1.86 -3.51 115.11 112.13 2kly h GLN 114 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2kly h GLN 114 Cb 0.91 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 2kly h GLN 114 CO 0.49 0.00 -0.52 0.45 -0.95 0.00 0.00 178.83 178.30 2kly n SER 115 N -2.43 -5.05 0.28 1.46 2.88 -1.26 -3.85 113.62 105.66 2kly n SER 115 Ca 0.02 1.21 0.13 0.00 -1.33 0.00 0.00 58.87 58.90 2kly n SER 115 Cb 0.49 -3.48 0.82 0.00 -0.75 0.00 0.00 64.21 61.29 2kly n SER 115 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2kly h VAL 116 N 2.73 0.68 -0.27 2.46 -1.51 -1.97 0.25 116.25 118.62 2kly h VAL 116 Ca 0.00 -0.02 -0.07 0.00 -1.23 0.00 0.00 66.70 65.37 2kly h VAL 116 Cb 0.00 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 2kly h VAL 116 CO 0.00 0.01 -0.11 -0.08 -1.23 0.00 0.00 177.57 176.16 2kly h GLU 117 N 0.00 0.56 -0.31 5.19 4.81 -1.92 0.12 114.58 123.03 2kly h GLU 117 Ca -0.00 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 58.93 2kly h GLU 117 Cb 0.01 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2kly h GLU 117 CO 0.00 0.79 -0.10 0.87 -0.73 0.00 0.00 179.01 179.84 2kly h LYS 118 N 0.30 0.52 0.25 1.92 1.57 -1.17 0.11 116.57 120.08 2kly h LYS 118 Ca 0.06 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2kly h LYS 118 Cb 0.61 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2kly h LYS 118 CO 0.04 0.63 -0.12 0.82 -0.57 0.00 0.00 179.45 180.24 2kly h ILE 119 N 0.49 0.80 0.00 1.86 2.04 -0.46 -2.33 117.51 119.90 2kly h ILE 119 Ca 0.09 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 2kly h ILE 119 Cb 0.47 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 2kly h ILE 119 CO 0.03 0.13 -0.21 -0.07 0.00 0.00 0.00 178.15 178.02 2kly h LEU 120 N -0.67 0.00 -0.80 1.44 4.07 -0.62 -0.53 115.31 118.20 2kly h LEU 120 Ca -0.03 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.82 2kly h LEU 120 Cb 0.47 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 2kly h LEU 120 CO 0.06 0.21 -0.20 0.25 -1.08 0.00 0.00 178.44 177.68 2kly h LEU 121 N 0.00 0.69 -1.23 1.67 7.12 -0.78 -0.85 115.31 121.94 2kly h LEU 121 Ca -0.00 -0.23 -0.06 0.00 0.13 0.00 0.00 57.88 57.71 2kly h LEU 121 Cb 0.61 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 2kly h LEU 121 CO 0.03 0.89 -0.29 0.28 -0.13 0.00 0.00 178.44 179.22 2kly h SER 122 N 0.61 0.00 -0.31 1.25 0.02 -0.56 0.60 113.55 115.15 2kly h SER 122 Ca 0.09 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 2kly h SER 122 Cb 0.68 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2kly h SER 122 CO 0.05 0.29 -0.19 0.58 -1.14 0.00 0.00 176.83 176.42 2kly h VAL 123 N 0.00 1.30 -0.48 2.27 2.07 -0.57 -1.32 116.25 119.51 2kly h VAL 123 Ca -0.00 -1.31 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 2kly h VAL 123 Cb 0.71 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 2kly h VAL 123 CO 0.04 0.42 0.13 0.58 0.02 0.00 0.00 177.57 178.76 2kly h VAL 124 N 0.43 1.23 -0.36 2.57 2.07 -0.58 -2.49 116.25 119.12 2kly h VAL 124 Ca 0.06 -0.80 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 2kly h VAL 124 Cb 0.73 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2kly h VAL 124 CO 0.05 0.29 -0.26 0.77 0.02 0.00 0.00 177.57 178.44 2kly h SER 125 N 0.65 0.76 0.29 0.57 4.64 -0.89 -2.70 113.55 116.87 2kly h SER 125 Ca 0.15 -0.29 -0.07 0.00 -0.47 0.00 0.00 61.79 61.12 2kly h SER 125 Cb 0.30 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2kly h SER 125 CO -0.00 0.98 -0.32 0.00 -0.87 0.00 0.00 176.83 176.63 2kly h MET 126 N 0.64 0.04 0.00 4.77 -0.00 -1.12 0.54 114.93 119.81 2kly h MET 126 Ca 0.08 -0.01 -0.12 0.00 -0.00 0.00 0.00 59.70 59.64 2kly h MET 126 Cb 0.77 -0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.35 2kly h MET 126 CO 0.06 0.36 -0.59 -0.07 -0.00 0.00 0.00 176.91 176.67 2kly h LEU 127 N 0.04 0.00 0.02 -0.10 3.38 -1.13 -2.81 115.31 114.70 2kly h LEU 127 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.64 2kly h LEU 127 Cb 0.58 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 2kly h LEU 127 CO 0.04 0.59 -2.05 0.00 0.09 0.00 0.00 178.44 177.11 2kly n ALA 128 N -2.37 1.41 -3.73 1.53 0.00 -0.97 -4.68 120.51 111.70 2kly n ALA 128 Ca -0.01 -0.96 -0.30 0.00 0.00 0.00 0.00 53.44 52.17 2kly n ALA 128 Cb 0.63 -0.53 -0.14 0.00 0.00 0.00 0.00 19.45 19.41 2kly n ALA 128 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kly s GLU 129 N -2.55 1.14 0.00 0.00 2.56 0.19 -4.97 118.70 115.06 2kly s GLU 129 Ca -0.12 -1.75 0.12 0.00 0.00 0.00 0.00 54.97 53.22 2kly s GLU 129 Cb 0.07 -2.28 0.68 0.00 2.00 0.00 0.00 34.13 34.60 2kly s GLU 129 CO 0.80 -1.10 1.14 -0.35 -0.56 0.00 0.00 175.26 175.19 2kly n PRO 130 N 3.93 0.34 -0.13 4.30 -0.04 -1.06 -3.96 135.00 138.38 2kly n PRO 130 Ca 0.06 0.02 -0.03 0.00 -0.04 0.00 0.00 63.50 63.51 2kly n PRO 130 Cb 0.37 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 2kly n PRO 130 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2kly n ASN 131 N -1.04 -0.32 -4.09 3.54 5.15 -1.26 -2.50 115.26 114.73 2kly n ASN 131 Ca 0.08 0.79 -0.22 0.00 -0.60 0.00 0.00 54.58 54.63 2kly n ASN 131 Cb 0.05 -0.19 -0.10 0.00 -0.53 0.00 0.00 39.78 39.01 2kly n ASN 131 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2kly n ASP 132 N -3.74 0.61 0.10 1.20 9.92 -1.25 -4.62 116.55 118.77 2kly n ASP 132 Ca 0.01 -2.19 -0.15 0.00 -0.53 0.00 0.00 54.79 51.93 2kly n ASP 132 Cb 0.08 -1.03 -0.14 0.00 -0.64 0.00 0.00 41.12 39.39 2kly n ASP 132 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2kly h GLU 133 N 10.38 0.24 0.00 -1.24 5.08 -1.85 -3.42 114.58 123.77 2kly h GLU 133 Ca 0.09 -0.41 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2kly h GLU 133 Cb 0.85 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2kly h GLU 133 CO 1.31 1.18 0.00 0.45 -1.00 0.00 0.00 179.01 180.96 2kly n SER 134 N -3.50 0.00 -0.22 1.42 2.88 -1.26 -3.45 113.62 109.48 2kly n SER 134 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2kly n SER 134 Cb 1.02 -0.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.45 2kly n SER 134 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kly n GLY 135 N -0.25 0.83 0.00 0.46 0.00 -1.26 -5.00 105.19 99.98 2kly n GLY 135 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2kly n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kly n ALA 136 N -0.71 0.00 -2.49 4.61 0.00 -1.21 -4.87 120.51 115.84 2kly n ALA 136 Ca 0.00 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 2kly n ALA 136 Cb 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.54 2kly n ALA 136 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2kly s ASN 137 N -3.50 6.19 0.18 0.00 3.84 -0.42 -4.76 114.94 116.47 2kly s ASN 137 Ca 0.00 -0.70 -0.10 0.00 0.21 0.00 0.00 52.86 52.27 2kly s ASN 137 Cb 0.00 -2.22 0.08 0.00 -0.55 0.00 0.00 41.25 38.56 2kly s ASN 137 CO 0.00 -0.58 1.68 0.58 -2.79 0.00 0.00 177.10 175.99 2kly h VAL 138 N 5.73 1.26 -0.66 -5.21 2.07 -1.89 -0.94 116.25 116.60 2kly h VAL 138 Ca -0.26 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 2kly h VAL 138 Cb 1.11 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2kly h VAL 138 CO 0.80 0.36 0.17 -0.78 0.02 0.00 0.00 177.57 178.14 2kly h ASP 139 N 0.94 1.00 -0.15 0.57 3.58 -1.98 0.23 116.42 120.61 2kly h ASP 139 Ca 0.20 -0.23 -0.21 0.00 0.42 0.00 0.00 57.03 57.20 2kly h ASP 139 Cb 0.39 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.18 2kly h ASP 139 CO 0.01 0.96 -0.73 0.00 -2.88 0.00 0.00 179.24 176.60 2kly h ALA 140 N 1.07 0.37 0.04 -0.78 0.00 -1.89 -2.57 119.26 115.50 2kly h ALA 140 Ca 0.21 -0.58 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2kly h ALA 140 Cb 0.35 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.12 2kly h ALA 140 CO 0.00 0.69 -0.34 0.66 0.00 0.00 0.00 179.25 180.26 2kly h SER 141 N 0.55 0.23 -0.14 0.00 4.64 -0.99 -1.84 113.55 115.99 2kly h SER 141 Ca -0.04 -0.90 0.01 0.00 -0.47 0.00 0.00 61.79 60.39 2kly h SER 141 Cb 1.35 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 2kly h SER 141 CO 0.15 1.11 0.04 0.50 -0.87 0.00 0.00 176.83 177.77 2kly h LYS 142 N -0.62 0.11 -0.70 4.77 1.63 -0.66 -0.36 116.57 120.74 2kly h LYS 142 Ca -0.05 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 2kly h LYS 142 Cb 1.20 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.77 2kly h LYS 142 CO 0.06 0.07 0.40 1.98 -3.45 0.00 0.00 179.45 178.52 2kly h MET 143 N 0.11 0.96 -0.95 1.90 4.05 -1.58 -1.99 114.93 117.44 2kly h MET 143 Ca 0.06 -0.10 0.18 0.00 -0.28 0.00 0.00 59.70 59.56 2kly h MET 143 Cb 0.04 -0.20 -0.08 0.00 -0.80 0.00 0.00 31.60 30.56 2kly h MET 143 CO -0.07 0.70 0.60 2.35 0.23 0.00 0.00 176.91 180.73 2kly h TRP 144 N 0.96 0.82 -0.21 1.39 -0.00 -0.52 0.30 115.95 118.69 2kly h TRP 144 Ca 0.25 0.03 -0.14 0.00 -0.00 0.00 0.00 58.89 59.02 2kly h TRP 144 Cb 0.00 -0.25 -0.01 0.00 -0.00 0.00 0.00 29.16 28.90 2kly h TRP 144 CO -0.01 0.23 -0.47 0.00 -0.00 0.00 0.00 178.44 178.19 2kly h ARG 145 N 0.62 0.53 0.00 2.65 2.47 -0.36 -3.39 114.38 116.91 2kly h ARG 145 Ca 0.51 -0.30 0.00 0.00 -1.26 0.00 0.00 59.98 58.93 2kly h ARG 145 Cb 0.95 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.29 2kly h ARG 145 CO -0.26 0.89 0.00 -3.47 0.56 0.00 0.00 179.97 177.69 2kly n ASP 146 N -3.99 0.00 -4.31 7.04 2.03 -0.24 -4.85 116.55 112.23 2kly n ASP 146 Ca -0.02 0.02 -0.45 0.00 0.52 0.00 0.00 54.79 54.85 2kly n ASP 146 Cb 0.55 -0.09 -0.02 0.00 -0.72 0.00 0.00 41.12 40.84 2kly n ASP 146 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kly s ASP 147 N -1.48 6.74 0.39 1.67 2.15 0.88 -4.86 116.67 122.17 2kly s ASP 147 Ca 0.00 -2.95 0.12 0.00 0.43 0.00 0.00 52.55 50.16 2kly s ASP 147 Cb 0.00 -2.17 0.94 0.00 -0.30 0.00 0.00 42.92 41.39 2kly s ASP 147 CO 0.00 -0.48 1.90 0.03 -0.17 0.00 0.00 175.17 176.45 2kly h ARG 148 N 7.41 0.53 -0.97 4.34 3.08 -1.75 -3.07 114.38 123.95 2kly h ARG 148 Ca 0.12 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.16 2kly h ARG 148 Cb 0.99 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.87 2kly h ARG 148 CO 0.81 0.35 0.64 0.93 -1.07 0.00 0.00 179.97 181.63 2kly h GLU 149 N 0.55 1.22 0.01 0.04 4.39 -1.92 -0.24 114.58 118.63 2kly h GLU 149 Ca 0.40 -0.07 -0.19 0.00 0.34 0.00 0.00 59.36 59.83 2kly h GLU 149 Cb 0.76 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 2kly h GLU 149 CO -0.15 0.81 -0.90 0.37 -1.16 0.00 0.00 179.01 177.97 2kly h GLN 150 N 1.25 0.08 0.25 2.33 4.15 -1.93 -2.71 115.11 118.54 2kly h GLN 150 Ca 0.37 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 2kly h GLN 150 Cb -0.06 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.67 2kly h GLN 150 CO -0.10 0.92 -0.12 0.35 -1.93 0.00 0.00 178.83 177.95 2kly h PHE 151 N 0.04 -0.31 -0.66 3.99 3.57 -1.34 -2.03 116.94 120.19 2kly h PHE 151 Ca -0.03 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.54 2kly h PHE 151 Cb 1.56 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 40.34 2kly h PHE 151 CO 0.01 -0.13 0.34 1.88 -2.23 0.00 0.00 178.31 178.18 2kly h TYR 152 N -0.43 0.61 -0.42 0.41 0.05 -1.08 0.11 116.97 116.23 2kly h TYR 152 Ca -0.03 0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 2kly h TYR 152 Cb 0.32 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 2kly h TYR 152 CO -0.03 0.25 -0.07 1.57 -1.05 0.00 0.00 178.16 178.83 2kly h LYS 153 N 0.60 0.78 -0.63 4.88 2.10 -1.40 -1.16 116.57 121.73 2kly h LYS 153 Ca 0.31 -0.28 -0.06 0.00 -2.00 0.00 0.00 60.65 58.61 2kly h LYS 153 Cb 0.28 -0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.53 2kly h LYS 153 CO -0.23 0.89 0.13 0.82 -2.00 0.00 0.00 179.45 179.07 2kly h ILE 154 N 0.60 1.25 -0.11 0.07 2.04 -0.99 -0.80 117.51 119.57 2kly h ILE 154 Ca 0.11 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 2kly h ILE 154 Cb 0.58 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2kly h ILE 154 CO 0.03 0.35 0.04 0.00 0.00 0.00 0.00 178.15 178.58 2kly h ALA 155 N 1.19 0.14 0.00 1.87 0.00 -0.46 0.36 119.26 122.36 2kly h ALA 155 Ca 0.20 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 2kly h ALA 155 Cb 0.36 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2kly h ALA 155 CO 0.00 -0.27 -0.35 0.87 0.00 0.00 0.00 179.25 179.51 2kly h LYS 156 N 0.02 0.00 -0.38 0.00 1.57 -1.10 -1.32 116.57 115.37 2kly h LYS 156 Ca 0.04 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2kly h LYS 156 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2kly h LYS 156 CO -0.00 0.35 0.06 0.37 -0.57 0.00 0.00 179.45 179.65 2kly h GLN 157 N 0.00 0.63 -0.42 3.15 4.15 -0.71 -2.49 115.11 119.41 2kly h GLN 157 Ca -0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 2kly h GLN 157 Cb 0.67 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 2kly h GLN 157 CO 0.05 0.69 0.22 0.82 -1.93 0.00 0.00 178.83 178.67 2kly h ILE 158 N 0.47 1.14 0.05 2.39 1.08 -0.19 0.11 117.51 122.56 2kly h ILE 158 Ca 0.11 -0.38 0.02 0.00 -0.39 0.00 0.00 64.86 64.23 2kly h ILE 158 Cb 0.37 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 2kly h ILE 158 CO 0.01 0.16 -0.15 0.58 -0.69 0.00 0.00 178.15 178.05 2kly h VAL 159 N 0.59 0.64 0.00 1.67 2.07 -0.91 0.20 116.25 120.50 2kly h VAL 159 Ca 0.15 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.54 2kly h VAL 159 Cb 0.04 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2kly h VAL 159 CO -0.02 0.00 -0.61 0.06 0.02 0.00 0.00 177.57 177.02 2kly h GLN 160 N -0.28 0.00 -0.49 1.57 3.07 -1.00 -2.17 115.11 115.81 2kly h GLN 160 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.74 2kly h GLN 160 Cb 0.32 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.85 2kly h GLN 160 CO -0.11 0.61 0.15 0.87 0.09 0.00 0.00 178.83 180.43 2kly h LYS 161 N 0.00 0.73 -0.82 0.06 6.56 -0.50 0.47 116.57 123.07 2kly h LYS 161 Ca -0.01 -0.13 -0.01 0.00 -1.06 0.00 0.00 60.65 59.45 2kly h LYS 161 Cb 1.20 -0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 32.70 2kly h LYS 161 CO 0.08 0.65 0.48 1.03 -2.06 0.00 0.00 179.45 179.63 2kly h SER 162 N 0.72 0.99 0.56 0.86 0.87 0.01 -2.19 113.55 115.36 2kly h SER 162 Ca 0.17 -0.06 -0.20 0.00 -1.23 0.00 0.00 61.79 60.46 2kly h SER 162 Cb 0.23 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 2kly h SER 162 CO -0.01 0.77 -0.89 -0.07 -0.53 0.00 0.00 176.83 176.10 2kly h LEU 163 N 1.13 0.29 0.00 2.23 3.38 -0.94 -3.45 115.31 117.96 2kly h LEU 163 Ca 0.29 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kly h LEU 163 Cb -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2kly h LEU 163 CO -0.05 1.04 0.00 0.61 0.09 0.00 0.00 178.44 180.13 2kly n GLY 164 N 0.90 1.48 0.36 0.83 0.00 0.12 -5.10 105.19 103.78 2kly n GLY 164 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 2kly n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36