#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 -1.06 0.00 -5.12 0.00 -1.25 -4.67 120.51 108.40 2kly n ALA 2 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2kly n ALA 2 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2kly n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kly n GLY 3 N -0.28 2.02 0.23 0.00 0.00 -1.26 -4.25 105.19 101.66 2kly n GLY 3 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.00 2kly n GLY 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kly h THR 4 N 0.00 1.13 -0.09 2.61 1.03 -1.97 0.25 112.91 115.88 2kly h THR 4 Ca 0.00 -0.62 -0.03 0.00 -0.01 0.00 0.00 66.41 65.75 2kly h THR 4 Cb 0.00 1.27 -0.00 0.00 -1.07 0.00 0.00 68.15 68.35 2kly h THR 4 CO 0.00 0.18 -0.06 0.00 -0.01 0.00 0.00 175.52 175.64 2kly h ALA 5 N 1.79 0.12 0.60 0.00 0.00 -1.51 -2.29 119.26 117.97 2kly h ALA 5 Ca 0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2kly h ALA 5 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2kly h ALA 5 CO 0.02 -0.09 -0.33 -0.07 0.00 0.00 0.00 179.25 178.78 2kly h LEU 6 N -0.20 -0.80 -1.14 0.00 3.38 -1.69 -0.06 115.31 114.80 2kly h LEU 6 Ca 0.02 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.18 2kly h LEU 6 Cb 0.53 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 2kly h LEU 6 CO 0.02 -0.53 0.61 0.07 0.09 0.00 0.00 178.44 178.69 2kly h LYS 7 N -0.86 0.77 -0.07 1.13 2.10 -0.61 -0.59 116.57 118.44 2kly h LYS 7 Ca -0.08 -0.05 -0.19 0.00 -2.00 0.00 0.00 60.65 58.34 2kly h LYS 7 Cb 0.68 -0.17 0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2kly h LYS 7 CO 0.11 0.51 -0.68 -0.09 -2.00 0.00 0.00 179.45 177.30 2kly h ARG 8 N 0.80 0.58 0.00 0.07 9.65 -1.14 -2.67 114.38 121.66 2kly h ARG 8 Ca 0.50 -0.53 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 2kly h ARG 8 Cb 0.72 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.42 2kly h ARG 8 CO -0.27 1.16 -0.34 -0.07 2.80 0.00 0.00 179.97 183.25 2kly h LEU 9 N 0.19 0.00 -0.58 3.80 3.38 -0.35 0.33 115.31 122.08 2kly h LEU 9 Ca -0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 2kly h LEU 9 Cb 1.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 2kly h LEU 9 CO 0.14 0.34 -0.13 0.24 0.09 0.00 0.00 178.44 179.11 2kly h MET 10 N 0.00 1.00 -0.21 1.13 2.86 -1.13 0.16 114.93 118.74 2kly h MET 10 Ca -0.00 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.23 2kly h MET 10 Cb 0.62 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 2kly h MET 10 CO 0.04 1.06 0.04 0.00 1.06 0.00 0.00 176.91 179.11 2kly h ALA 11 N 0.95 0.28 -0.52 6.32 0.00 -0.91 0.56 119.26 125.94 2kly h ALA 11 Ca 0.13 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2kly h ALA 11 Cb 0.69 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 2kly h ALA 11 CO 0.05 -0.05 0.18 0.93 0.00 0.00 0.00 179.25 180.36 2kly h GLU 12 N 0.15 0.34 0.27 0.00 4.39 -0.28 0.45 114.58 119.90 2kly h GLU 12 Ca 0.07 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2kly h GLU 12 Cb 0.30 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2kly h GLU 12 CO 0.00 0.23 -0.39 -0.92 -1.16 0.00 0.00 179.01 176.77 2kly h TYR 13 N 0.35 -1.10 -0.68 4.33 3.20 -0.49 -0.94 116.97 121.64 2kly h TYR 13 Ca 0.26 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.25 2kly h TYR 13 Cb 0.29 0.44 -0.08 0.00 1.54 0.00 0.00 36.73 38.93 2kly h TYR 13 CO -0.17 -0.49 0.29 0.87 -1.64 0.00 0.00 178.16 177.02 2kly h LYS 14 N -0.68 0.46 -0.13 1.82 1.57 -0.48 -0.78 116.57 118.35 2kly h LYS 14 Ca -0.03 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 2kly h LYS 14 Cb 0.63 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2kly h LYS 14 CO -0.11 0.31 -0.30 1.96 -0.57 0.00 0.00 179.45 180.73 2kly h GLN 15 N 0.48 0.24 0.00 3.15 7.50 -0.83 0.25 115.11 125.90 2kly h GLN 15 Ca 0.35 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 59.41 2kly h GLN 15 Cb 0.45 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.96 2kly h GLN 15 CO -0.32 0.53 0.00 1.28 -1.50 0.00 0.00 178.83 178.81 2kly n LEU 16 N -4.12 0.00 -0.10 1.46 4.77 -0.37 -0.52 117.00 118.12 2kly n LEU 16 Ca -0.01 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.80 2kly n LEU 16 Cb 0.40 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2kly n LEU 16 CO 0.40 -0.00 -1.16 0.41 -1.33 0.00 0.00 177.39 175.71 2kly n THR 17 N -1.00 1.12 -0.07 -5.08 -1.04 0.61 -3.85 114.28 104.96 2kly n THR 17 Ca 0.15 -0.37 -0.11 0.00 -2.04 0.00 0.00 64.05 61.68 2kly n THR 17 Cb 0.07 -1.43 -0.05 0.00 -1.82 0.00 0.00 70.33 67.10 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 -0.30 0.36 -6.17 -4.42 4.07 -0.61 -3.39 115.31 104.83 2kly h LEU 18 Ca -0.47 -0.30 -0.57 0.00 0.08 0.00 0.00 57.88 56.61 2kly h LEU 18 Cb 1.58 -0.10 -0.39 0.00 1.08 0.00 0.00 40.66 42.84 2kly h LEU 18 CO -0.17 0.57 -1.02 0.59 -1.08 0.00 0.00 178.44 177.33 2kly n ASN 19 N -4.69 0.24 -4.64 -0.43 3.02 0.32 -5.09 115.26 103.98 2kly n ASN 19 Ca -0.04 -2.64 -0.43 0.00 -0.03 0.00 0.00 54.58 51.44 2kly n ASN 19 Cb 0.23 -0.61 -0.02 0.00 -0.61 0.00 0.00 39.78 38.76 2kly n ASN 19 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2kly s PRO 20 N -0.83 4.10 0.12 3.52 0.04 -1.25 -4.62 135.00 136.08 2kly s PRO 20 Ca 0.34 1.21 -0.34 0.00 0.04 0.00 0.00 61.00 62.25 2kly s PRO 20 Cb 0.12 -3.74 -0.17 0.00 0.04 0.00 0.00 34.50 30.74 2kly s PRO 20 CO -0.14 -0.86 0.96 -0.35 0.04 0.00 0.00 177.00 176.65 2kly n PRO 21 N 6.81 0.48 -2.30 0.56 -0.04 -1.26 -4.88 135.00 134.36 2kly n PRO 21 Ca 0.13 0.17 -0.39 0.00 -0.04 0.00 0.00 63.50 63.36 2kly n PRO 21 Cb 0.47 -1.54 -0.03 0.00 -0.04 0.00 0.00 33.50 32.36 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 -0.42 4.24 -0.72 0.54 -1.05 -1.26 -2.14 118.70 117.89 2kly s GLU 22 Ca 0.77 1.90 0.00 0.00 -0.15 0.00 0.00 54.97 57.49 2kly s GLU 22 Cb -1.01 -2.86 0.00 0.00 -0.44 0.00 0.00 34.13 29.82 2kly s GLU 22 CO 0.55 -0.18 0.00 0.41 0.95 0.00 0.00 175.26 176.99 2kly n GLY 23 N 0.77 0.85 3.11 -3.83 0.00 -1.26 -4.99 105.19 99.84 2kly n GLY 23 Ca 0.02 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.05 1.99 -0.20 -0.61 -1.09 -0.91 -2.70 121.20 115.63 2kly s ILE 24 Ca 0.00 -0.90 0.01 0.00 -2.23 0.00 0.00 60.65 57.53 2kly s ILE 24 Cb 0.00 -1.80 0.04 0.00 -1.58 0.00 0.00 42.46 39.12 2kly s ILE 24 CO 0.00 0.53 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.42 2kly s VAL 25 N 1.27 1.83 -0.13 2.92 1.01 -1.05 -4.75 120.40 121.50 2kly s VAL 25 Ca 0.04 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.85 2kly s VAL 25 Cb -0.13 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.46 2kly s VAL 25 CO -0.12 0.25 0.34 0.00 0.00 0.00 0.00 175.10 175.57 2kly s ALA 26 N 1.33 -0.83 0.11 5.51 0.00 -1.26 0.22 121.76 126.84 2kly s ALA 26 Ca -0.01 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 52.79 2kly s ALA 26 Cb -0.16 -0.65 0.08 0.00 0.00 0.00 0.00 23.12 22.40 2kly s ALA 26 CO -0.09 -0.19 0.70 0.20 0.00 0.00 0.00 175.76 176.38 2kly s GLY 27 N 0.63 -0.55 0.18 0.00 0.00 -0.64 -5.01 107.32 101.92 2kly s GLY 27 Ca -0.04 0.64 -0.33 0.00 0.00 0.00 0.00 44.72 44.99 2kly s GLY 27 CO -0.04 0.21 1.38 -1.05 0.00 0.00 0.00 173.10 173.60 2kly n PRO 28 N -0.34 1.71 -0.05 2.90 -0.02 -1.26 -0.20 135.00 137.73 2kly n PRO 28 Ca -0.14 0.61 0.25 0.00 -2.02 0.00 0.00 63.50 62.20 2kly n PRO 28 Cb 0.64 -2.26 0.70 0.00 -0.02 0.00 0.00 33.50 32.56 2kly n PRO 28 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2kly h MET 29 N 4.53 0.00 -1.71 -0.52 4.05 -0.81 -3.40 114.93 117.07 2kly h MET 29 Ca -0.45 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.02 2kly h MET 29 Cb 1.30 0.00 -0.25 0.00 -0.80 0.00 0.00 31.60 31.85 2kly h MET 29 CO 0.78 0.00 0.32 1.21 0.23 0.00 0.00 176.91 179.46 2kly s ASN 30 N -5.07 -0.58 0.16 1.39 2.47 -1.26 -4.92 114.94 107.13 2kly s ASN 30 Ca -0.04 1.05 0.13 0.00 0.42 0.00 0.00 52.86 54.41 2kly s ASN 30 Cb 0.17 1.12 0.64 0.00 -1.45 0.00 0.00 41.25 41.74 2kly s ASN 30 CO 0.61 -0.18 1.39 -0.62 -3.72 0.00 0.00 177.10 174.59 2kly n GLU 31 N 2.89 0.08 0.03 0.43 1.02 -1.26 -0.71 120.64 123.11 2kly n GLU 31 Ca -0.15 0.52 -0.21 0.00 -0.02 0.00 0.00 57.16 57.31 2kly n GLU 31 Cb 0.56 -1.73 -0.14 0.00 -0.02 0.00 0.00 31.44 30.12 2kly n GLU 31 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2kly h GLU 32 N 0.00 0.27 -5.56 3.49 4.11 -1.96 -3.42 114.58 111.51 2kly h GLU 32 Ca 0.00 -0.46 -0.62 0.00 0.07 0.00 0.00 59.36 58.35 2kly h GLU 32 Cb 0.07 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 29.35 2kly h GLU 32 CO 0.00 1.22 0.75 1.21 0.07 0.00 0.00 179.01 182.26 2kly s ASN 33 N -6.99 6.28 0.00 3.06 3.84 0.11 -4.82 114.94 116.42 2kly s ASN 33 Ca -0.16 -1.14 0.26 0.00 0.21 0.00 0.00 52.86 52.03 2kly s ASN 33 Cb 0.02 -2.45 0.77 0.00 -0.55 0.00 0.00 41.25 39.04 2kly s ASN 33 CO 0.80 -1.44 1.57 0.49 -2.79 0.00 0.00 177.10 175.74 2kly n PHE 34 N 7.84 0.00 1.31 0.43 3.01 -1.26 -3.75 117.46 125.04 2kly n PHE 34 Ca 0.05 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.64 2kly n PHE 34 Cb 0.47 -0.13 0.40 0.00 -0.01 0.00 0.00 39.48 40.21 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 -0.70 0.05 -3.86 1.38 3.72 -1.26 -4.74 117.46 112.05 2kly n PHE 35 Ca 0.12 -0.02 -0.19 0.00 -0.05 0.00 0.00 57.45 57.31 2kly n PHE 35 Cb 0.34 0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.72 2kly n PHE 35 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2kly s GLU 36 N -1.95 0.30 0.16 -1.08 2.02 -1.25 0.08 118.70 116.98 2kly s GLU 36 Ca 0.35 0.13 0.10 0.00 0.02 0.00 0.00 54.97 55.57 2kly s GLU 36 Cb 0.20 -0.59 -0.04 0.00 0.10 0.00 0.00 34.13 33.81 2kly s GLU 36 CO 0.32 -0.20 -0.22 -1.58 0.02 0.00 0.00 175.26 173.59 2kly s TRP 37 N 1.40 2.10 0.07 1.61 0.52 0.01 -0.27 118.94 124.38 2kly s TRP 37 Ca -0.04 -0.40 0.09 0.00 0.02 0.00 0.00 56.10 55.77 2kly s TRP 37 Cb -0.13 -1.07 -0.03 0.00 -1.15 0.00 0.00 33.47 31.09 2kly s TRP 37 CO -0.03 0.39 -0.25 -1.21 0.02 0.00 0.00 176.95 175.88 2kly s GLU 38 N -2.51 1.52 0.02 4.98 2.02 0.72 -0.03 118.70 125.44 2kly s GLU 38 Ca 0.16 -1.14 -0.03 0.00 0.02 0.00 0.00 54.97 53.98 2kly s GLU 38 Cb -0.08 -1.79 -0.01 0.00 0.10 0.00 0.00 34.13 32.35 2kly s GLU 38 CO 0.08 0.45 0.03 0.00 0.02 0.00 0.00 175.26 175.83 2kly s ALA 39 N -0.91 0.01 -0.27 5.21 0.00 0.48 -1.62 121.76 124.65 2kly s ALA 39 Ca 0.11 -0.50 -0.09 0.00 0.00 0.00 0.00 51.96 51.48 2kly s ALA 39 Cb -0.10 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 2kly s ALA 39 CO 0.03 -0.20 0.12 -0.51 0.00 0.00 0.00 175.76 175.20 2kly s LEU 40 N -1.59 3.73 -0.57 0.00 1.02 0.13 -0.63 118.68 120.78 2kly s LEU 40 Ca -0.13 -0.21 -0.12 0.00 0.02 0.00 0.00 54.13 53.69 2kly s LEU 40 Cb -0.07 -2.00 0.14 0.00 0.02 0.00 0.00 46.19 44.28 2kly s LEU 40 CO -0.01 -0.07 0.49 -0.63 0.02 0.00 0.00 176.35 176.15 2kly s ILE 41 N 1.66 4.80 -0.14 -0.59 -1.09 0.53 -2.52 121.20 123.85 2kly s ILE 41 Ca 0.06 -1.88 -0.29 0.00 -2.23 0.00 0.00 60.65 56.31 2kly s ILE 41 Cb -0.16 -4.09 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 2kly s ILE 41 CO 0.06 -0.86 1.17 -0.04 -1.23 0.00 0.00 174.94 174.04 2kly s MET 42 N 1.14 4.29 0.26 2.79 -1.94 -1.10 -1.89 119.30 122.86 2kly s MET 42 Ca 0.08 1.57 -0.31 0.00 -1.71 0.00 0.00 55.69 55.32 2kly s MET 42 Cb -0.24 -3.66 -0.13 0.00 2.01 0.00 0.00 34.83 32.81 2kly s MET 42 CO -0.01 -0.57 1.46 0.41 -0.01 0.00 0.00 175.02 176.30 2kly n GLY 43 N 3.42 0.95 3.76 -0.03 0.00 0.64 -4.90 105.19 109.03 2kly n GLY 43 Ca 0.12 0.47 -0.41 0.00 0.00 0.00 0.00 46.02 46.20 2kly n GLY 43 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kly s PRO 44 N -0.53 4.14 0.35 1.61 0.02 -1.26 -3.98 135.00 135.36 2kly s PRO 44 Ca 0.66 2.54 -0.29 0.00 0.02 0.00 0.00 61.00 63.93 2kly s PRO 44 Cb -0.59 -3.02 -0.11 0.00 0.02 0.00 0.00 34.50 30.80 2kly s PRO 44 CO 0.50 -0.57 1.52 0.39 -0.33 0.00 0.00 177.00 178.51 2kly n GLU 45 N 1.65 2.68 -2.80 5.54 -0.58 -1.26 -2.81 120.64 123.07 2kly n GLU 45 Ca 0.06 0.95 -0.19 0.00 -0.42 0.00 0.00 57.16 57.55 2kly n GLU 45 Cb 0.38 -2.69 0.02 0.00 -0.57 0.00 0.00 31.44 28.59 2kly n GLU 45 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2kly n ASP 46 N 0.95 -5.44 -4.30 1.62 2.03 -1.26 -4.99 116.55 105.15 2kly n ASP 46 Ca 0.03 -0.20 -0.22 0.00 0.52 0.00 0.00 54.79 54.92 2kly n ASP 46 Cb 0.38 -4.32 -0.10 0.00 -0.72 0.00 0.00 41.12 36.36 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 -3.05 0.85 0.22 5.18 -4.23 -1.12 -5.02 115.64 108.47 2kly s THR 47 Ca 0.21 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.65 2kly s THR 47 Cb -0.09 -2.60 0.17 0.00 1.34 0.00 0.00 72.50 71.32 2kly s THR 47 CO 0.26 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 176.15 2kly n PHE 49 N -4.75 0.65 -1.66 0.00 3.72 -1.25 -4.24 117.46 109.93 2kly n PHE 49 Ca 0.10 -0.28 -0.44 0.00 -0.05 0.00 0.00 57.45 56.79 2kly n PHE 49 Cb 0.20 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.63 2kly n PHE 49 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2kly n GLU 50 N 0.47 1.91 -0.29 -1.08 2.13 -0.74 -1.84 120.64 121.21 2kly n GLU 50 Ca 0.12 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.62 2kly n GLU 50 Cb 0.43 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.89 2kly n GLU 50 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2kly n PHE 51 N 1.06 0.00 -2.47 4.31 3.72 -1.26 -4.94 117.46 117.89 2kly n PHE 51 Ca 0.09 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.16 2kly n PHE 51 Cb 0.33 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.83 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 -1.99 2.32 -0.37 1.37 0.00 -0.76 -4.84 107.32 103.05 2kly s GLY 52 Ca 0.00 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.17 2kly s GLY 52 CO 0.00 0.75 0.16 0.14 0.00 0.00 0.00 173.10 174.15 2kly s VAL 53 N -2.24 1.15 -0.34 1.40 1.01 -1.26 -0.26 120.40 119.86 2kly s VAL 53 Ca 0.64 -1.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.55 2kly s VAL 53 Cb -0.14 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.41 2kly s VAL 53 CO 0.24 -0.78 0.19 -0.36 0.00 0.00 0.00 175.10 174.39 2kly s PHE 54 N 1.02 3.21 0.30 5.22 0.08 -0.79 -4.70 117.98 122.32 2kly s PHE 54 Ca 0.14 -0.60 -0.28 0.00 0.12 0.00 0.00 56.93 56.31 2kly s PHE 54 Cb -0.21 -2.41 -0.09 0.00 -0.57 0.00 0.00 43.02 39.74 2kly s PHE 54 CO -0.12 -0.49 1.06 -1.25 -0.10 0.00 0.00 175.22 174.31 2kly s PRO 55 N 1.62 4.57 0.12 0.24 0.04 -1.26 -0.34 135.00 140.00 2kly s PRO 55 Ca 0.04 1.67 -0.09 0.00 0.04 0.00 0.00 61.00 62.67 2kly s PRO 55 Cb -0.18 -3.05 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 2kly s PRO 55 CO 0.07 0.19 0.23 0.00 0.04 0.00 0.00 177.00 177.54 2kly s ALA 56 N -1.29 -0.11 -0.07 8.56 0.00 0.20 -2.49 121.76 126.55 2kly s ALA 56 Ca 0.47 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.72 2kly s ALA 56 Cb -0.28 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.51 2kly s ALA 56 CO 0.36 -0.57 -0.18 0.42 0.00 0.00 0.00 175.76 175.79 2kly s ILE 57 N -3.91 1.55 -0.22 0.00 1.01 0.11 -0.39 121.20 119.35 2kly s ILE 57 Ca 0.11 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.98 2kly s ILE 57 Cb 0.04 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 2kly s ILE 57 CO -0.06 0.45 0.00 -0.76 0.00 0.00 0.00 174.94 174.57 2kly s LEU 58 N 0.41 3.18 -0.23 2.97 1.02 0.96 -0.85 118.68 126.15 2kly s LEU 58 Ca -0.14 -0.26 -0.08 0.00 0.02 0.00 0.00 54.13 53.67 2kly s LEU 58 Cb -0.16 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.20 2kly s LEU 58 CO 0.05 0.02 0.08 -0.55 0.02 0.00 0.00 176.35 175.97 2kly s SER 59 N 1.26 5.33 -0.14 2.29 0.15 0.11 -0.81 113.70 121.89 2kly s SER 59 Ca 0.04 -0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.51 2kly s SER 59 Cb -0.15 -1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 62.18 2kly s SER 59 CO 0.01 0.02 0.09 -0.36 1.20 0.00 0.00 173.24 174.20 2kly s PHE 60 N 1.28 3.41 0.59 3.44 0.08 0.11 -0.13 117.98 126.76 2kly s PHE 60 Ca 0.05 0.34 -0.13 0.00 0.12 0.00 0.00 56.93 57.31 2kly s PHE 60 Cb -0.15 -1.97 -0.05 0.00 -0.57 0.00 0.00 43.02 40.28 2kly s PHE 60 CO 0.04 0.50 1.02 -1.25 -0.10 0.00 0.00 175.22 175.42 2kly s PRO 61 N -0.50 3.71 0.00 0.24 0.04 -1.26 -4.84 135.00 132.38 2kly s PRO 61 Ca 0.11 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2kly s PRO 61 Cb -0.12 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2kly s PRO 61 CO 0.02 -0.48 0.80 1.28 0.04 0.00 0.00 177.00 178.66 2kly n LEU 62 N -2.39 2.29 -0.00 -3.56 4.77 -1.26 -2.40 117.00 114.45 2kly n LEU 62 Ca 0.06 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 2kly n LEU 62 Cb 0.54 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2kly n LEU 62 CO 0.54 0.40 0.14 0.47 -1.33 0.00 0.00 177.39 177.62 2kly n ASP 63 N 0.91 0.00 -4.76 -1.43 8.00 -1.26 0.65 116.55 118.66 2kly n ASP 63 Ca 0.00 -1.00 -0.38 0.00 0.71 0.00 0.00 54.79 54.12 2kly n ASP 63 Cb 0.32 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 2kly n ASP 63 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2kly s TYR 64 N 0.00 2.74 -0.37 1.24 5.04 -1.01 -0.50 117.35 124.49 2kly s TYR 64 Ca 0.00 1.47 0.06 0.00 -2.44 0.00 0.00 57.07 56.17 2kly s TYR 64 Cb 0.00 -3.54 0.59 0.00 0.35 0.00 0.00 41.96 39.36 2kly s TYR 64 CO 0.00 -1.94 1.65 -0.35 -1.34 0.00 0.00 175.55 173.57 2kly n PRO 65 N -0.45 2.85 0.22 4.97 -0.04 -1.26 -1.73 135.00 139.55 2kly n PRO 65 Ca 0.07 -2.47 0.08 0.00 -0.04 0.00 0.00 63.50 61.14 2kly n PRO 65 Cb 0.46 -2.02 0.53 0.00 -0.04 0.00 0.00 33.50 32.44 2kly n PRO 65 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kly h LEU 66 N 1.87 0.00 -7.33 1.53 3.38 -1.04 -3.40 115.31 110.32 2kly h LEU 66 Ca 0.31 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.90 2kly h LEU 66 Cb 2.20 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 42.56 2kly h LEU 66 CO 0.70 0.23 -0.74 -0.94 0.09 0.00 0.00 178.44 177.78 2kly s SER 67 N -6.53 1.22 0.85 -0.43 1.04 -1.07 -3.81 113.70 104.98 2kly s SER 67 Ca -0.02 0.05 -0.11 0.00 0.48 0.00 0.00 55.95 56.35 2kly s SER 67 Cb 0.13 -0.18 0.09 0.00 0.10 0.00 0.00 66.02 66.17 2kly s SER 67 CO 0.65 -0.25 0.08 -0.81 0.98 0.00 0.00 173.24 173.90 2kly n PRO 68 N 5.28 -1.41 -1.58 4.02 -0.04 -1.26 -4.04 135.00 135.97 2kly n PRO 68 Ca -0.04 -0.42 -0.19 0.00 -0.04 0.00 0.00 63.50 62.82 2kly n PRO 68 Cb 0.50 -1.30 0.12 0.00 -0.04 0.00 0.00 33.50 32.78 2kly n PRO 68 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2kly n PRO 69 N -0.33 -0.55 -4.50 0.54 -0.04 -1.26 -4.66 135.00 124.21 2kly n PRO 69 Ca 0.03 -1.63 -0.24 0.00 -0.04 0.00 0.00 63.50 61.62 2kly n PRO 69 Cb 0.28 -0.79 -0.10 0.00 -0.04 0.00 0.00 33.50 32.85 2kly n PRO 69 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kly s LYS 70 N -4.79 1.72 -0.05 0.54 2.47 0.82 -4.89 119.74 115.55 2kly s LYS 70 Ca 0.51 -1.86 -0.15 0.00 -1.56 0.00 0.00 55.97 52.92 2kly s LYS 70 Cb -0.02 -1.60 0.03 0.00 -1.46 0.00 0.00 37.83 34.78 2kly s LYS 70 CO 0.35 0.17 0.34 1.41 0.16 0.00 0.00 175.35 177.77 2kly s MET 71 N -3.61 0.60 0.02 4.03 -2.45 -1.26 0.05 119.30 116.68 2kly s MET 71 Ca 0.31 0.04 -0.07 0.00 -1.25 0.00 0.00 55.69 54.72 2kly s MET 71 Cb 0.01 0.27 -0.00 0.00 1.25 0.00 0.00 34.83 36.36 2kly s MET 71 CO 0.15 -0.14 0.14 -0.98 1.05 0.00 0.00 175.02 175.23 2kly s ARG 72 N -0.84 0.55 -0.01 4.11 1.70 -0.03 -2.57 118.95 121.87 2kly s ARG 72 Ca -0.09 -0.54 -0.13 0.00 -0.47 0.00 0.00 55.73 54.50 2kly s ARG 72 Cb -0.04 0.23 -0.05 0.00 -0.57 0.00 0.00 34.95 34.51 2kly s ARG 72 CO 0.03 -0.14 0.37 -0.06 -1.08 0.00 0.00 175.30 174.42 2kly s PHE 73 N -1.93 3.70 -0.02 5.89 0.08 -0.90 0.04 117.98 124.84 2kly s PHE 73 Ca -0.10 0.91 -0.03 0.00 0.12 0.00 0.00 56.93 57.83 2kly s PHE 73 Cb -0.05 -2.23 -0.27 0.00 -0.57 0.00 0.00 43.02 39.90 2kly s PHE 73 CO -0.01 0.65 0.76 1.79 -0.10 0.00 0.00 175.22 178.30 2kly h THR 74 N 3.66 1.03 -0.27 0.64 1.35 -1.84 -3.44 112.91 114.04 2kly h THR 74 Ca -0.52 -2.70 0.00 0.00 -0.55 0.00 0.00 66.41 62.64 2kly h THR 74 Cb 1.22 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 2kly h THR 74 CO 0.61 0.80 0.00 0.00 -0.25 0.00 0.00 175.52 176.69 2kly s GLU 76 N 0.00 2.09 0.17 0.00 -1.05 -1.26 -4.98 118.70 113.67 2kly s GLU 76 Ca 0.00 -1.81 -0.24 0.00 -0.15 0.00 0.00 54.97 52.77 2kly s GLU 76 Cb 0.00 -1.90 0.06 0.00 -0.44 0.00 0.00 34.13 31.85 2kly s GLU 76 CO 0.00 0.07 0.97 1.41 0.95 0.00 0.00 175.26 178.65 2kly s MET 77 N -3.75 1.25 -0.33 -4.83 1.75 -1.26 -4.94 119.30 107.19 2kly s MET 77 Ca 0.36 -0.72 0.01 0.00 -1.25 0.00 0.00 55.69 54.09 2kly s MET 77 Cb 0.02 0.41 0.14 0.00 2.84 0.00 0.00 34.83 38.24 2kly s MET 77 CO 0.20 -0.58 0.30 0.12 -0.65 0.00 0.00 175.02 174.41 2kly s PHE 78 N -3.08 -0.12 -0.23 4.11 5.36 -1.26 -5.08 117.98 117.68 2kly s PHE 78 Ca 0.14 -0.74 -0.20 0.00 -0.96 0.00 0.00 56.93 55.17 2kly s PHE 78 Cb -0.02 -0.56 0.06 0.00 -0.34 0.00 0.00 43.02 42.16 2kly s PHE 78 CO 0.03 -0.92 0.60 -1.58 -1.46 0.00 0.00 175.22 171.90 2kly s HIS 79 N 1.76 -0.69 0.00 10.12 2.46 -1.26 -4.72 115.29 122.96 2kly s HIS 79 Ca 0.14 1.64 -0.03 0.00 0.47 0.00 0.00 55.06 57.28 2kly s HIS 79 Cb -0.16 0.26 -0.12 0.00 -0.13 0.00 0.00 32.58 32.42 2kly s HIS 79 CO -0.16 -0.33 2.22 -0.35 -2.47 0.00 0.00 174.74 173.64 2kly n PRO 80 N 2.92 1.14 0.00 2.88 -0.04 -1.26 -2.49 135.00 138.15 2kly n PRO 80 Ca -0.14 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 2kly n PRO 80 Cb 0.56 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2kly n PRO 80 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2kly n ASN 81 N 2.30 0.00 0.00 3.54 2.85 -1.26 -3.69 115.26 119.00 2kly n ASN 81 Ca 0.19 -1.00 0.00 0.00 -0.11 0.00 0.00 54.58 53.66 2kly n ASN 81 Cb 0.54 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.56 2kly n ASN 81 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2kly n ILE 82 N 0.00 0.00 0.00 -1.44 2.08 -1.04 0.37 119.36 119.33 2kly n ILE 82 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 2kly n ILE 82 Cb 0.46 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.35 2kly n ILE 82 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 2kly n TYR 83 N 0.00 0.00 0.05 1.39 4.02 -1.26 -0.51 117.16 120.85 2kly n TYR 83 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.87 2kly n TYR 83 Cb 0.00 0.00 0.23 0.00 -0.02 0.00 0.00 39.34 39.55 2kly n TYR 83 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2kly h PRO 84 N 0.00 0.38 -0.00 -0.72 0.11 -1.98 -1.60 132.00 128.19 2kly h PRO 84 Ca 0.00 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2kly h PRO 84 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2kly h PRO 84 CO 0.00 0.63 -0.02 -0.25 -0.21 0.00 0.00 178.00 178.15 2kly n ASP 85 N -4.12 0.38 0.00 -2.05 9.92 -1.26 -4.88 116.55 114.54 2kly n ASP 85 Ca -0.01 -0.92 0.00 0.00 -0.53 0.00 0.00 54.79 53.33 2kly n ASP 85 Cb 0.40 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.84 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 1.12 0.75 2.06 0.44 0.00 -0.60 -4.81 105.19 104.14 2kly n GLY 86 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 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 0.76 -0.93 1.61 3.00 -1.26 -2.11 116.66 115.73 2kly n ARG 87 Ca 0.00 -0.28 0.00 0.00 -0.00 0.00 0.00 57.85 57.57 2kly n ARG 87 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 30.92 2kly n ARG 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2kly n VAL 88 N 2.35 0.00 -3.75 5.15 0.31 -1.06 -4.73 118.33 116.60 2kly n VAL 88 Ca 0.12 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.11 2kly n VAL 88 Cb 0.36 -0.69 -0.10 0.00 -0.91 0.00 0.00 33.84 32.50 2kly n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kly s ILE 90 N -0.67 4.61 0.21 0.00 1.01 -1.26 -4.56 121.20 120.54 2kly s ILE 90 Ca 0.21 -0.99 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 2kly s ILE 90 Cb -0.15 -3.34 0.15 0.00 0.01 0.00 0.00 42.46 39.12 2kly s ILE 90 CO -0.07 -0.08 1.79 0.77 0.00 0.00 0.00 174.94 177.35 2kly h SER 91 N 2.47 0.48 -0.29 3.58 4.64 -1.88 -2.27 113.55 120.28 2kly h SER 91 Ca -0.48 0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 60.75 2kly h SER 91 Cb 1.20 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 2kly h SER 91 CO 0.64 0.30 -0.30 -0.29 -0.87 0.00 0.00 176.83 176.31 2kly h ILE 92 N 0.62 1.28 -0.13 0.95 2.10 -1.88 -1.83 117.51 118.62 2kly h ILE 92 Ca 0.31 -1.46 -0.06 0.00 1.08 0.00 0.00 64.86 64.73 2kly h ILE 92 Cb 0.25 1.31 -0.03 0.00 -1.09 0.00 0.00 36.82 37.26 2kly h ILE 92 CO -0.21 0.48 0.07 0.18 -1.08 0.00 0.00 178.15 177.59 2kly n LEU 93 N -4.08 3.14 0.00 2.19 4.77 -0.87 -4.08 117.00 118.07 2kly n LEU 93 Ca -0.01 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 2kly n LEU 93 Cb 0.49 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2kly n LEU 93 CO 0.46 0.52 0.00 1.57 -1.33 0.00 0.00 177.39 178.61 2kly n HIS 94 N 0.23 0.00 -2.85 -1.77 -0.00 -1.09 -4.59 115.22 105.15 2kly n HIS 94 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.68 2kly n HIS 94 Cb 0.61 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.65 2kly n HIS 94 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kly n ALA 95 N 0.00 1.11 -0.03 1.57 0.00 -0.71 -4.82 120.51 117.62 2kly n ALA 95 Ca 0.00 -2.27 -0.00 0.00 0.00 0.00 0.00 53.44 51.17 2kly n ALA 95 Cb 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 2kly n ALA 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2kly h PRO 96 N 2.80 -0.03 -0.36 0.00 0.11 -1.93 -3.41 132.00 129.18 2kly h PRO 96 Ca -0.08 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.76 2kly h PRO 96 Cb 1.11 0.01 -0.31 0.00 0.11 0.00 0.00 31.00 31.92 2kly h PRO 96 CO 0.26 -0.02 -0.85 0.41 -0.21 0.00 0.00 178.00 177.59 2kly n GLY 97 N 1.72 4.11 3.63 -0.55 0.00 -1.26 -5.05 105.19 107.80 2kly n GLY 97 Ca -0.00 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 2kly n GLY 97 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kly s ASP 98 N -3.29 6.56 0.28 1.61 2.15 -1.26 -4.85 116.67 117.87 2kly s ASP 98 Ca 0.39 0.69 0.00 0.00 0.43 0.00 0.00 52.55 54.06 2kly s ASP 98 Cb 0.38 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.67 2kly s ASP 98 CO -0.04 -0.31 0.00 -0.67 -0.17 0.00 0.00 175.17 173.98 2kly n ASP 99 N 5.44 -5.29 -4.53 -0.34 -0.08 -1.26 -4.64 116.55 105.84 2kly n ASP 99 Ca -0.02 0.69 -0.25 0.00 -1.51 0.00 0.00 54.79 53.69 2kly n ASP 99 Cb 0.49 -2.20 -0.08 0.00 2.34 0.00 0.00 41.12 41.68 2kly n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2kly n PRO 100 N -0.82 1.21 -3.60 -0.67 -0.02 -1.26 -4.81 135.00 125.02 2kly n PRO 100 Ca 0.00 -2.25 -0.12 0.00 -2.02 0.00 0.00 63.50 59.11 2kly n PRO 100 Cb 0.00 -3.75 -0.03 0.00 -0.02 0.00 0.00 33.50 29.71 2kly n PRO 100 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2kly n MET 101 N 8.19 0.59 -2.76 -0.52 2.81 -1.26 -5.12 117.12 119.05 2kly n MET 101 Ca 0.44 -2.37 -0.09 0.00 -1.81 0.00 0.00 57.70 53.87 2kly n MET 101 Cb 0.46 2.27 0.09 0.00 -0.71 0.00 0.00 33.22 35.33 2kly n MET 101 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kly n GLY 102 N -0.49 1.09 3.78 3.03 0.00 -1.26 -5.01 105.19 106.33 2kly n GLY 102 Ca 0.01 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.11 2.75 -0.30 1.61 2.02 -1.26 -5.06 117.35 117.01 2kly s TYR 103 Ca 0.24 1.54 -0.10 0.00 -0.37 0.00 0.00 57.07 58.38 2kly s TYR 103 Cb 0.33 -3.15 0.17 0.00 -0.40 0.00 0.00 41.96 38.91 2kly s TYR 103 CO -0.06 -1.46 0.83 -1.83 -1.57 0.00 0.00 175.55 171.46 2kly s GLU 104 N -3.84 0.40 -0.47 -0.62 -1.05 -1.26 -4.94 118.70 106.93 2kly s GLU 104 Ca 0.67 0.87 0.07 0.00 -0.15 0.00 0.00 54.97 56.43 2kly s GLU 104 Cb -0.20 0.51 0.26 0.00 -0.44 0.00 0.00 34.13 34.26 2kly s GLU 104 CO 0.35 -0.28 0.87 0.45 0.95 0.00 0.00 175.26 177.60 2kly n SER 105 N 5.31 -2.21 -1.25 0.83 2.88 -1.26 -4.84 113.62 113.07 2kly n SER 105 Ca -0.07 -3.27 -0.12 0.00 -1.33 0.00 0.00 58.87 54.08 2kly n SER 105 Cb 0.52 1.40 -0.02 0.00 -0.75 0.00 0.00 64.21 65.36 2kly n SER 105 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2kly n SER 106 N 1.34 -3.93 -4.57 -3.46 2.88 -1.26 -4.81 113.62 99.81 2kly n SER 106 Ca 0.11 0.06 -0.41 0.00 -1.33 0.00 0.00 58.87 57.29 2kly n SER 106 Cb 0.63 -2.99 -0.03 0.00 -0.75 0.00 0.00 64.21 61.07 2kly n SER 106 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kly s ALA 107 N -2.55 2.81 0.82 -1.46 0.00 -1.26 -5.00 121.76 115.11 2kly s ALA 107 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 51.96 50.97 2kly s ALA 107 Cb 0.00 -4.13 0.08 0.00 0.00 0.00 0.00 23.12 19.07 2kly s ALA 107 CO 0.00 -3.00 1.12 -1.21 0.00 0.00 0.00 175.76 172.67 2kly s GLU 108 N 5.50 1.93 0.18 0.00 2.02 -1.26 -4.98 118.70 122.09 2kly s GLU 108 Ca 0.47 0.45 0.11 0.00 0.02 0.00 0.00 54.97 56.01 2kly s GLU 108 Cb -0.09 -1.92 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 2kly s GLU 108 CO 0.23 -1.68 -0.21 1.03 0.02 0.00 0.00 175.26 174.64 2kly s ARG 109 N -5.28 1.64 -0.24 1.61 3.00 -1.26 -3.27 118.95 115.15 2kly s ARG 109 Ca 0.61 -1.43 -0.31 0.00 0.00 0.00 0.00 55.73 54.60 2kly s ARG 109 Cb -0.14 -1.94 -0.08 0.00 0.00 0.00 0.00 34.95 32.80 2kly s ARG 109 CO 0.53 0.42 2.17 1.87 0.00 0.00 0.00 175.30 180.29 2kly n TRP 110 N 0.32 1.90 -4.33 -0.53 -0.00 -1.26 -4.86 117.44 108.68 2kly n TRP 110 Ca -0.13 0.01 -0.21 0.00 -0.00 0.00 0.00 57.50 57.18 2kly n TRP 110 Cb 0.55 -2.66 -0.11 0.00 -0.00 0.00 0.00 31.31 29.10 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 7.40 2.63 0.65 5.87 0.01 -1.26 -5.01 113.70 123.99 2kly s SER 111 Ca 1.03 -0.91 0.28 0.00 1.31 0.00 0.00 55.95 57.66 2kly s SER 111 Cb -0.55 -0.15 1.53 0.00 0.21 0.00 0.00 66.02 67.05 2kly s SER 111 CO 0.42 -0.08 1.87 -0.65 0.41 0.00 0.00 173.24 175.21 2kly h PRO 112 N 3.04 0.00 -2.45 12.44 0.11 -1.77 -2.88 132.00 140.49 2kly h PRO 112 Ca -0.41 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 65.02 2kly h PRO 112 Cb 1.21 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.96 2kly h PRO 112 CO 0.54 0.00 0.01 0.28 -0.21 0.00 0.00 178.00 178.62 2kly n VAL 113 N -3.02 3.77 0.54 3.15 0.31 -1.26 -4.60 118.33 117.22 2kly n VAL 113 Ca -0.00 -5.57 0.07 0.00 -0.01 0.00 0.00 64.34 58.83 2kly n VAL 113 Cb 0.46 -1.98 -0.10 0.00 -0.91 0.00 0.00 33.84 31.32 2kly n VAL 113 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kly n GLN 114 N 0.82 1.60 -1.50 5.55 1.13 -1.09 -5.12 117.38 118.77 2kly n GLN 114 Ca 0.30 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 2kly n GLN 114 Cb 0.37 -1.26 0.00 0.00 0.11 0.00 0.00 30.24 29.46 2kly n GLN 114 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2kly n SER 115 N -1.53 -6.97 0.05 1.08 7.64 -1.26 -3.68 113.62 108.95 2kly n SER 115 Ca 0.01 1.48 -0.18 0.00 1.01 0.00 0.00 58.87 61.19 2kly n SER 115 Cb 0.28 -4.49 -0.09 0.00 -1.01 0.00 0.00 64.21 58.90 2kly n SER 115 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 2kly h VAL 116 N 0.33 1.31 -0.53 0.44 -1.51 -1.99 -2.72 116.25 111.57 2kly h VAL 116 Ca 0.00 -2.30 -0.05 0.00 -1.23 0.00 0.00 66.70 63.12 2kly h VAL 116 Cb 0.69 2.39 -0.02 0.00 -2.13 0.00 0.00 31.29 32.21 2kly h VAL 116 CO 0.00 0.70 0.13 -0.08 -1.23 0.00 0.00 177.57 177.09 2kly h GLU 117 N 0.35 0.85 -0.43 5.19 4.81 -1.94 -0.18 114.58 123.24 2kly h GLU 117 Ca -0.12 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2kly h GLU 117 Cb 1.66 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.91 2kly h GLU 117 CO 0.19 0.81 0.27 -0.22 -0.73 0.00 0.00 179.01 179.33 2kly h LYS 118 N 0.75 0.58 -0.70 1.92 3.64 -1.73 -0.97 116.57 120.05 2kly h LYS 118 Ca 0.17 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2kly h LYS 118 Cb 0.34 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 2kly h LYS 118 CO 0.00 0.41 0.26 0.82 -2.27 0.00 0.00 179.45 178.67 2kly h ILE 119 N 0.57 1.25 -0.42 2.00 2.04 -1.29 -0.59 117.51 121.07 2kly h ILE 119 Ca 0.16 -0.81 0.02 0.00 1.00 0.00 0.00 64.86 65.23 2kly h ILE 119 Cb -0.03 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 2kly h ILE 119 CO -0.03 0.32 0.24 -0.07 0.00 0.00 0.00 178.15 178.61 2kly h LEU 120 N 1.01 0.39 -1.35 1.44 4.07 -0.54 0.11 115.31 120.43 2kly h LEU 120 Ca 0.23 0.01 -0.07 0.00 0.08 0.00 0.00 57.88 58.13 2kly h LEU 120 Cb 0.24 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 2kly h LEU 120 CO -0.02 0.28 -0.32 -0.07 -1.08 0.00 0.00 178.44 177.23 2kly h LEU 121 N 0.49 0.00 -0.77 1.67 -0.00 -0.98 -1.91 115.31 113.81 2kly h LEU 121 Ca 0.17 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.94 2kly h LEU 121 Cb 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 2kly h LEU 121 CO -0.08 0.32 -0.28 -1.28 -0.00 0.00 0.00 178.44 177.12 2kly h SER 122 N 0.00 0.63 -0.46 -0.43 0.87 0.18 -0.98 113.55 113.36 2kly h SER 122 Ca -0.00 -0.24 -0.13 0.00 -1.23 0.00 0.00 61.79 60.19 2kly h SER 122 Cb 0.59 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2kly h SER 122 CO 0.04 0.89 -0.20 0.58 -0.53 0.00 0.00 176.83 177.60 2kly h VAL 123 N 0.53 1.27 -0.76 2.23 2.07 -0.27 -1.42 116.25 119.90 2kly h VAL 123 Ca 0.07 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.20 2kly h VAL 123 Cb 0.76 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 2kly h VAL 123 CO 0.06 0.47 0.38 0.58 0.02 0.00 0.00 177.57 179.08 2kly h VAL 124 N 0.84 1.24 -0.64 2.57 2.07 -1.09 0.67 116.25 121.90 2kly h VAL 124 Ca 0.11 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2kly h VAL 124 Cb 0.77 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2kly h VAL 124 CO 0.06 0.28 0.30 -1.28 0.02 0.00 0.00 177.57 176.96 2kly h SER 125 N 1.07 0.82 -0.34 0.57 0.87 -0.97 0.35 113.55 115.92 2kly h SER 125 Ca 0.26 -0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.59 2kly h SER 125 Cb 0.11 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2kly h SER 125 CO -0.03 0.70 -0.33 -0.03 -0.53 0.00 0.00 176.83 176.61 2kly h MET 126 N 0.91 0.87 0.01 2.24 1.85 -0.36 -2.72 114.93 117.73 2kly h MET 126 Ca 0.22 -0.42 -0.19 0.00 -0.61 0.00 0.00 59.70 58.70 2kly h MET 126 Cb 0.10 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.10 2kly h MET 126 CO -0.03 1.07 -0.91 -0.07 -0.40 0.00 0.00 176.91 176.56 2kly h LEU 127 N 0.73 0.06 -1.18 3.39 3.38 -0.54 -3.12 115.31 118.02 2kly h LEU 127 Ca 0.07 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2kly h LEU 127 Cb 0.90 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2kly h LEU 127 CO 0.08 0.94 -0.32 0.00 0.09 0.00 0.00 178.44 179.24 2kly h ALA 128 N 1.05 1.32 -1.86 1.53 0.00 -0.84 -3.32 119.26 117.15 2kly h ALA 128 Ca -0.02 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.63 2kly h ALA 128 Cb 1.60 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 19.09 2kly h ALA 128 CO 0.12 0.48 0.03 -1.83 0.00 0.00 0.00 179.25 178.05 2kly s GLU 129 N -4.33 0.59 -0.42 0.00 -1.05 -1.03 -4.30 118.70 108.15 2kly s GLU 129 Ca -0.04 1.20 -0.32 0.00 -0.15 0.00 0.00 54.97 55.66 2kly s GLU 129 Cb 0.14 0.43 -0.11 0.00 -0.44 0.00 0.00 34.13 34.15 2kly s GLU 129 CO 0.74 -0.16 2.29 -2.30 0.95 0.00 0.00 175.26 176.79 2kly n PRO 130 N 4.72 1.10 -4.29 -4.83 -0.02 -1.18 -4.34 135.00 126.16 2kly n PRO 130 Ca -0.16 0.24 -0.15 0.00 -2.02 0.00 0.00 63.50 61.41 2kly n PRO 130 Cb 0.55 -2.67 -0.10 0.00 -0.02 0.00 0.00 33.50 31.26 2kly n PRO 130 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2kly s ASN 131 N 8.57 0.96 -1.05 2.55 0.02 -1.26 -4.92 114.94 119.81 2kly s ASN 131 Ca 1.09 -1.37 -0.11 0.00 -1.02 0.00 0.00 52.86 51.45 2kly s ASN 131 Cb -0.69 0.21 -0.04 0.00 0.02 0.00 0.00 41.25 40.75 2kly s ASN 131 CO 0.43 -0.75 0.85 -0.67 0.02 0.00 0.00 177.10 176.98 2kly n ASP 132 N -0.41 -6.26 -3.58 -1.22 2.03 -1.26 -4.82 116.55 101.03 2kly n ASP 132 Ca 0.00 -0.77 -0.40 0.00 0.52 0.00 0.00 54.79 54.14 2kly n ASP 132 Cb 0.66 -4.49 -0.03 0.00 -0.72 0.00 0.00 41.12 36.54 2kly n ASP 132 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kly n GLU 133 N -3.42 2.16 0.00 -0.67 1.02 -1.26 -4.62 120.64 113.85 2kly n GLU 133 Ca -0.08 -2.07 0.03 0.00 -0.02 0.00 0.00 57.16 55.02 2kly n GLU 133 Cb 0.60 -2.98 0.12 0.00 -0.02 0.00 0.00 31.44 29.17 2kly n GLU 133 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2kly n SER 134 N 6.38 0.00 -0.04 1.62 3.41 -1.24 -4.76 113.62 118.99 2kly n SER 134 Ca 0.52 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 2kly n SER 134 Cb 0.36 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 2kly n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kly n GLY 135 N -0.89 0.56 0.02 5.00 0.00 -1.26 -4.91 105.19 103.71 2kly n GLY 135 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.05 2.06 -3.31 4.61 0.00 -1.26 -4.91 120.51 117.65 2kly n ALA 136 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.01 2kly n ALA 136 Cb 0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 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 -3.37 0.39 0.31 0.00 3.84 -1.26 -4.50 114.94 110.34 2kly s ASN 137 Ca -0.03 -0.98 0.00 0.00 0.21 0.00 0.00 52.86 52.06 2kly s ASN 137 Cb 0.04 1.02 0.49 0.00 -0.55 0.00 0.00 41.25 42.24 2kly s ASN 137 CO 0.31 -0.28 1.88 0.58 -2.79 0.00 0.00 177.10 176.80 2kly h VAL 138 N 5.48 1.21 -0.29 -5.21 2.07 -1.95 -2.29 116.25 115.26 2kly h VAL 138 Ca -0.00 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 2kly h VAL 138 Cb 1.10 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 2kly h VAL 138 CO 0.21 0.26 -0.15 -0.78 0.02 0.00 0.00 177.57 177.13 2kly h ASP 139 N 0.77 0.48 -0.09 0.57 3.58 -1.98 0.22 116.42 119.97 2kly h ASP 139 Ca 0.18 -0.13 -0.16 0.00 0.42 0.00 0.00 57.03 57.34 2kly h ASP 139 Cb 0.19 -0.13 0.01 0.00 1.72 0.00 0.00 39.33 41.12 2kly h ASP 139 CO -0.01 0.66 -0.56 0.00 -2.88 0.00 0.00 179.24 176.44 2kly h ALA 140 N 1.39 0.19 -0.12 -0.78 0.00 -1.85 -2.56 119.26 115.53 2kly h ALA 140 Ca 0.08 -0.53 -0.18 0.00 0.00 0.00 0.00 54.91 54.28 2kly h ALA 140 Cb 0.53 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2kly h ALA 140 CO 0.03 0.42 -0.64 0.66 0.00 0.00 0.00 179.25 179.73 2kly h SER 141 N 0.15 0.77 0.29 0.00 4.64 -1.12 -0.86 113.55 117.42 2kly h SER 141 Ca -0.04 -0.64 -0.01 0.00 -0.47 0.00 0.00 61.79 60.62 2kly h SER 141 Cb 1.21 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2kly h SER 141 CO 0.12 1.29 -0.14 0.50 -0.87 0.00 0.00 176.83 177.73 2kly h LYS 142 N 0.30 -0.37 -0.32 4.77 3.64 -0.68 -0.92 116.57 122.99 2kly h LYS 142 Ca -0.05 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 2kly h LYS 142 Cb 1.28 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 2kly h LYS 142 CO 0.13 -0.15 -0.06 1.98 -2.27 0.00 0.00 179.45 179.09 2kly h MET 143 N -0.54 0.52 -0.40 1.90 4.05 -1.54 -1.15 114.93 117.77 2kly h MET 143 Ca -0.04 -0.13 0.02 0.00 -0.28 0.00 0.00 59.70 59.27 2kly h MET 143 Cb 0.40 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 2kly h MET 143 CO 0.06 0.58 0.22 2.35 0.23 0.00 0.00 176.91 180.36 2kly h TRP 144 N 0.49 0.41 -0.00 1.39 -0.00 -0.89 0.33 115.95 117.68 2kly h TRP 144 Ca 0.10 0.01 -0.15 0.00 -0.00 0.00 0.00 58.89 58.85 2kly h TRP 144 Cb 0.40 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.41 2kly h TRP 144 CO 0.01 0.23 -0.74 0.00 -0.00 0.00 0.00 178.44 177.95 2kly h ARG 145 N 0.45 0.00 0.00 2.65 3.08 -0.89 -3.09 114.38 116.58 2kly h ARG 145 Ca 0.16 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.18 2kly h ARG 145 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 2kly h ARG 145 CO -0.09 0.74 -0.18 0.22 -1.07 0.00 0.00 179.97 179.59 2kly h ASP 146 N 0.00 0.00 -2.98 7.04 1.82 -0.94 -3.43 116.42 117.93 2kly h ASP 146 Ca -0.01 -0.67 -0.59 0.00 -0.39 0.00 0.00 57.03 55.37 2kly h ASP 146 Cb 1.30 0.00 -0.40 0.00 0.68 0.00 0.00 39.33 40.92 2kly h ASP 146 CO 0.10 0.94 -0.80 -0.62 -1.61 0.00 0.00 179.24 177.25 2kly s ASP 147 N -6.13 3.32 0.31 2.28 -1.08 0.11 -4.99 116.67 110.50 2kly s ASP 147 Ca -0.16 -2.27 0.08 0.00 -0.52 0.00 0.00 52.55 49.68 2kly s ASP 147 Cb -0.01 -0.66 0.84 0.00 -1.46 0.00 0.00 42.92 41.63 2kly s ASP 147 CO 0.50 -0.31 1.72 0.08 0.52 0.00 0.00 175.17 177.68 2kly h ARG 148 N 7.05 0.51 -0.64 4.34 0.11 -1.68 -1.09 114.38 122.98 2kly h ARG 148 Ca 0.01 -0.03 -0.05 0.00 0.10 0.00 0.00 59.98 60.01 2kly h ARG 148 Cb 0.96 -0.11 -0.03 0.00 1.11 0.00 0.00 29.97 31.90 2kly h ARG 148 CO 0.37 0.34 0.20 0.93 0.10 0.00 0.00 179.97 181.90 2kly h GLU 149 N 0.52 0.98 -0.69 0.08 3.07 -1.91 0.23 114.58 116.86 2kly h GLU 149 Ca 0.62 -0.19 -0.06 0.00 -0.50 0.00 0.00 59.36 59.23 2kly h GLU 149 Cb 1.18 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.91 2kly h GLU 149 CO -0.49 0.84 0.20 1.96 -1.40 0.00 0.00 179.01 180.12 2kly h GLN 150 N 0.94 1.07 -0.08 2.33 1.08 -1.53 -1.00 115.11 117.92 2kly h GLN 150 Ca 0.21 -0.23 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 2kly h GLN 150 Cb 0.28 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2kly h GLN 150 CO -0.01 0.92 -0.06 0.35 -0.95 0.00 0.00 178.83 179.08 2kly h PHE 151 N 1.03 0.21 -0.24 2.96 3.57 -1.06 -2.84 116.94 120.57 2kly h PHE 151 Ca 0.22 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.72 2kly h PHE 151 Cb 0.31 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 2kly h PHE 151 CO 0.02 0.59 -0.30 1.88 -2.23 0.00 0.00 178.31 178.28 2kly h TYR 152 N -0.23 -0.81 -0.56 0.41 0.05 -0.34 0.23 116.97 115.71 2kly h TYR 152 Ca 0.01 0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.81 2kly h TYR 152 Cb 0.55 0.39 -0.03 0.00 1.01 0.00 0.00 36.73 38.66 2kly h TYR 152 CO 0.08 -0.37 0.25 1.57 -1.05 0.00 0.00 178.16 178.64 2kly h LYS 153 N -0.31 0.83 -0.06 4.88 2.10 -1.24 0.13 116.57 122.89 2kly h LYS 153 Ca 0.13 -0.14 -0.12 0.00 -2.00 0.00 0.00 60.65 58.52 2kly h LYS 153 Cb 0.52 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 2kly h LYS 153 CO -0.42 0.70 -0.52 0.82 -2.00 0.00 0.00 179.45 178.03 2kly h ILE 154 N 0.77 1.36 -0.23 0.07 2.04 -1.22 0.05 117.51 120.34 2kly h ILE 154 Ca 0.19 -1.78 -0.10 0.00 1.00 0.00 0.00 64.86 64.17 2kly h ILE 154 Cb 0.16 1.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2kly h ILE 154 CO -0.02 0.52 -0.23 0.00 0.00 0.00 0.00 178.15 178.42 2kly h ALA 155 N 1.33 0.34 0.00 1.87 0.00 -0.01 -2.42 119.26 120.37 2kly h ALA 155 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 2kly h ALA 155 Cb 0.96 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2kly h ALA 155 CO 0.08 0.30 -0.31 0.87 0.00 0.00 0.00 179.25 180.19 2kly h LYS 156 N 0.25 0.00 -0.55 0.00 1.57 -0.63 -1.74 116.57 115.47 2kly h LYS 156 Ca 0.04 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2kly h LYS 156 Cb 0.78 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 2kly h LYS 156 CO 0.06 0.31 0.36 0.37 -0.57 0.00 0.00 179.45 179.98 2kly h GLN 157 N 0.00 0.71 -0.87 3.15 5.75 -0.82 -2.01 115.11 121.02 2kly h GLN 157 Ca -0.00 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2kly h GLN 157 Cb 0.71 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 29.06 2kly h GLN 157 CO 0.04 0.47 0.58 0.82 -2.65 0.00 0.00 178.83 178.09 2kly h ILE 158 N 0.73 1.20 0.22 2.39 1.08 -0.83 -1.97 117.51 120.33 2kly h ILE 158 Ca 0.21 -0.39 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2kly h ILE 158 Cb -0.07 -0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 33.60 2kly h ILE 158 CO -0.05 0.21 -0.37 0.58 -0.69 0.00 0.00 178.15 177.82 2kly h VAL 159 N 1.15 0.23 0.00 1.67 2.07 -0.74 0.16 116.25 120.78 2kly h VAL 159 Ca 0.33 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.76 2kly h VAL 159 Cb -0.08 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 2kly h VAL 159 CO -0.08 0.00 -0.44 0.06 0.02 0.00 0.00 177.57 177.13 2kly h GLN 160 N -0.67 0.00 -0.21 1.57 3.07 -1.36 -2.23 115.11 115.28 2kly h GLN 160 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.63 2kly h GLN 160 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.21 2kly h GLN 160 CO -0.16 0.44 -0.34 0.87 0.09 0.00 0.00 178.83 179.72 2kly h LYS 161 N 0.00 0.45 -0.14 0.06 1.57 -0.93 0.49 116.57 118.06 2kly h LYS 161 Ca -0.00 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 2kly h LYS 161 Cb 0.86 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2kly h LYS 161 CO 0.06 0.74 -0.18 0.77 -0.57 0.00 0.00 179.45 180.26 2kly h SER 162 N 0.38 0.23 0.80 0.86 0.02 -0.12 -1.50 113.55 114.22 2kly h SER 162 Ca 0.04 -0.05 -0.20 0.00 -0.84 0.00 0.00 61.79 60.74 2kly h SER 162 Cb 0.79 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 2kly h SER 162 CO 0.06 0.43 -0.91 -0.07 -1.14 0.00 0.00 176.83 175.20 2kly h LEU 163 N 0.22 0.09 0.00 5.07 3.38 -1.04 -3.46 115.31 119.57 2kly h LEU 163 Ca 0.04 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2kly h LEU 163 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2kly h LEU 163 CO 0.03 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.12 2kly n GLY 164 N 1.03 1.23 0.87 0.83 0.00 0.90 -5.10 105.19 104.94 2kly n GLY 164 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 2kly n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36