#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 2.02 -0.05 3.17 0.00 -1.26 -4.80 120.51 119.59 2kly n ALA 2 Ca 0.00 -1.59 -0.10 0.00 0.00 0.00 0.00 53.44 51.74 2kly n ALA 2 Cb 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 19.45 19.11 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 0.00 0.78 1.70 0.00 0.00 -1.97 0.32 103.07 103.90 2kly h GLY 3 Ca 0.00 -0.83 -0.10 0.00 0.00 0.00 0.00 47.33 46.40 2kly h GLY 3 CO 0.00 0.75 -0.34 -0.84 0.00 0.00 0.00 176.54 176.11 2kly h THR 4 N 0.57 1.28 0.12 4.70 2.02 -1.89 0.14 112.91 119.86 2kly h THR 4 Ca 0.04 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 2kly h THR 4 Cb 1.00 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 2kly h THR 4 CO 0.09 0.43 -0.06 0.00 0.37 0.00 0.00 175.52 176.35 2kly h ALA 5 N 1.35 -0.16 -0.17 6.16 0.00 -1.43 -2.59 119.26 122.41 2kly h ALA 5 Ca 0.04 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.81 2kly h ALA 5 Cb 0.74 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 2kly h ALA 5 CO 0.06 -0.43 -0.02 -0.07 0.00 0.00 0.00 179.25 178.79 2kly h LEU 6 N -0.50 -0.11 -1.43 0.00 3.38 -0.21 -1.49 115.31 114.95 2kly h LEU 6 Ca -0.02 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2kly h LEU 6 Cb 0.40 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2kly h LEU 6 CO 0.03 -0.03 0.39 0.07 0.09 0.00 0.00 178.44 178.99 2kly h LYS 7 N 0.03 0.75 -0.17 1.13 2.10 -0.75 0.35 116.57 120.00 2kly h LYS 7 Ca 0.08 -0.04 -0.06 0.00 -2.00 0.00 0.00 60.65 58.62 2kly h LYS 7 Cb 0.11 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 31.27 2kly h LYS 7 CO -0.16 0.49 -0.14 -0.09 -2.00 0.00 0.00 179.45 177.55 2kly h ARG 8 N 0.77 0.40 0.00 0.07 9.65 -1.07 -2.59 114.38 121.61 2kly h ARG 8 Ca 0.23 -0.20 -0.06 0.00 -1.10 0.00 0.00 59.98 58.85 2kly h ARG 8 Cb -0.03 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 2kly h ARG 8 CO -0.05 0.75 -0.27 -0.07 2.80 0.00 0.00 179.97 183.13 2kly h LEU 9 N 0.06 0.00 -0.41 3.80 3.38 -0.77 -1.88 115.31 119.48 2kly h LEU 9 Ca 0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 2kly h LEU 9 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 2kly h LEU 9 CO 0.04 0.27 -0.46 0.24 0.09 0.00 0.00 178.44 178.62 2kly h MET 10 N 0.00 0.83 -0.40 1.13 2.86 -0.28 0.26 114.93 119.34 2kly h MET 10 Ca -0.00 -0.47 -0.03 0.00 -2.06 0.00 0.00 59.70 57.14 2kly h MET 10 Cb 0.86 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.54 2kly h MET 10 CO 0.04 1.11 0.15 0.00 1.06 0.00 0.00 176.91 179.27 2kly h ALA 11 N 0.81 0.52 -0.38 6.32 0.00 -1.22 0.36 119.26 125.68 2kly h ALA 11 Ca 0.04 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.83 2kly h ALA 11 Cb 1.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 2kly h ALA 11 CO 0.10 0.13 0.20 0.93 0.00 0.00 0.00 179.25 180.62 2kly h GLU 12 N 0.50 0.39 0.03 0.00 4.39 -1.22 -1.60 114.58 117.07 2kly h GLU 12 Ca 0.13 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.81 2kly h GLU 12 Cb 0.21 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2kly h GLU 12 CO -0.01 0.26 -0.22 -0.92 -1.16 0.00 0.00 179.01 176.96 2kly h TYR 13 N 0.41 -0.66 -0.75 4.33 3.20 -0.19 0.82 116.97 124.13 2kly h TYR 13 Ca 0.16 0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.21 2kly h TYR 13 Cb 0.05 0.28 -0.11 0.00 1.54 0.00 0.00 36.73 38.49 2kly h TYR 13 CO -0.09 -0.25 0.17 0.87 -1.64 0.00 0.00 178.16 177.22 2kly h LYS 14 N -0.30 0.25 -0.41 1.82 1.57 -0.83 0.34 116.57 119.01 2kly h LYS 14 Ca 0.00 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 2kly h LYS 14 Cb 0.31 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2kly h LYS 14 CO -0.14 0.17 -0.33 1.96 -0.57 0.00 0.00 179.45 180.54 2kly h GLN 15 N 0.26 0.93 -0.63 3.15 7.50 -1.05 0.28 115.11 125.55 2kly h GLN 15 Ca 0.43 -0.46 -0.05 0.00 0.50 0.00 0.00 58.65 59.06 2kly h GLN 15 Cb 0.74 -0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.24 2kly h GLN 15 CO -0.53 1.12 0.17 -0.07 -1.50 0.00 0.00 178.83 178.02 2kly h LEU 16 N 0.78 0.91 -0.03 1.46 3.38 0.34 0.36 115.31 122.52 2kly h LEU 16 Ca 0.08 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2kly h LEU 16 Cb 0.91 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2kly h LEU 16 CO 0.08 0.87 -0.13 0.74 0.09 0.00 0.00 178.44 180.09 2kly h THR 17 N 0.93 1.49 -0.33 0.22 2.02 -0.13 -2.86 112.91 114.25 2kly h THR 17 Ca 0.20 -1.64 -0.17 0.00 0.77 0.00 0.00 66.41 65.57 2kly h THR 17 Cb 0.30 2.50 -0.00 0.00 -1.74 0.00 0.00 68.15 69.21 2kly h THR 17 CO -0.00 0.45 -0.45 -0.07 0.37 0.00 0.00 175.52 175.81 2kly h LEU 18 N -0.46 0.96 -6.58 2.58 -0.00 -0.40 -3.39 115.31 108.02 2kly h LEU 18 Ca -0.01 -0.50 -0.60 0.00 -0.00 0.00 0.00 57.88 56.77 2kly h LEU 18 Cb 0.80 -0.27 -0.39 0.00 -0.00 0.00 0.00 40.66 40.79 2kly h LEU 18 CO 0.03 1.28 -0.87 0.20 -0.00 0.00 0.00 178.44 179.08 2kly s ASN 19 N -6.86 2.43 -0.19 -0.43 0.01 0.13 -5.07 114.94 104.96 2kly s ASN 19 Ca -0.11 -3.02 -0.29 0.00 -0.71 0.00 0.00 52.86 48.72 2kly s ASN 19 Cb 0.10 -0.69 -0.02 0.00 0.41 0.00 0.00 41.25 41.06 2kly s ASN 19 CO 0.88 -0.19 1.39 -2.84 -1.51 0.00 0.00 177.10 174.84 2kly s PRO 20 N -0.01 4.07 0.67 -0.60 0.02 -1.08 -4.43 135.00 133.63 2kly s PRO 20 Ca 0.28 1.64 -0.17 0.00 0.02 0.00 0.00 61.00 62.76 2kly s PRO 20 Cb -0.04 -3.87 -0.00 0.00 0.02 0.00 0.00 34.50 30.60 2kly s PRO 20 CO -0.14 -0.94 1.27 -0.35 -0.33 0.00 0.00 177.00 176.51 2kly n PRO 21 N 7.05 0.99 -2.73 5.54 -0.04 -1.26 -4.99 135.00 139.57 2kly n PRO 21 Ca 0.15 0.40 -0.36 0.00 -0.04 0.00 0.00 63.50 63.66 2kly n PRO 21 Cb 0.45 -2.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 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 -3.43 4.35 0.00 0.54 -1.05 -1.26 -3.30 118.70 114.55 2kly s GLU 22 Ca 0.81 1.31 0.00 0.00 -0.15 0.00 0.00 54.97 56.95 2kly s GLU 22 Cb -0.37 -2.53 0.00 0.00 -0.44 0.00 0.00 34.13 30.79 2kly s GLU 22 CO 0.42 0.06 0.00 0.41 0.95 0.00 0.00 175.26 177.10 2kly n GLY 23 N 0.12 2.44 3.15 -3.83 0.00 -1.26 -4.94 105.19 100.87 2kly n GLY 23 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.57 2.05 -0.17 -0.61 1.09 -1.21 -0.79 121.20 121.00 2kly s ILE 24 Ca 0.00 -0.96 0.01 0.00 -1.10 0.00 0.00 60.65 58.59 2kly s ILE 24 Cb 0.00 -1.82 0.03 0.00 -1.06 0.00 0.00 42.46 39.60 2kly s ILE 24 CO 0.00 0.55 -0.14 -0.69 -0.10 0.00 0.00 174.94 174.56 2kly s VAL 25 N 0.96 1.65 -0.17 2.92 1.01 -0.93 -4.18 120.40 121.66 2kly s VAL 25 Ca -0.03 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 2kly s VAL 25 Cb -0.15 -1.59 0.05 0.00 0.00 0.00 0.00 36.38 34.69 2kly s VAL 25 CO -0.05 0.39 0.44 0.00 0.00 0.00 0.00 175.10 175.87 2kly s ALA 26 N 1.44 -1.09 0.24 5.51 0.00 -1.26 0.56 121.76 127.15 2kly s ALA 26 Ca 0.03 1.32 -0.22 0.00 0.00 0.00 0.00 51.96 53.09 2kly s ALA 26 Cb -0.14 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.25 2kly s ALA 26 CO -0.10 -0.22 0.83 0.20 0.00 0.00 0.00 175.76 176.46 2kly s GLY 27 N 0.50 -0.10 0.01 0.00 0.00 -0.43 -4.92 107.32 102.37 2kly s GLY 27 Ca -0.02 -0.18 -0.31 0.00 0.00 0.00 0.00 44.72 44.21 2kly s GLY 27 CO -0.03 0.02 1.96 -1.05 0.00 0.00 0.00 173.10 174.00 2kly n PRO 28 N -0.48 2.71 0.33 2.90 -0.02 -1.26 -0.09 135.00 139.08 2kly n PRO 28 Ca -0.05 0.99 0.21 0.00 -2.02 0.00 0.00 63.50 62.63 2kly n PRO 28 Cb 0.60 -2.93 1.13 0.00 -0.02 0.00 0.00 33.50 32.27 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 10.31 0.00 -1.60 -0.52 4.05 -1.32 -3.42 114.93 122.43 2kly h MET 29 Ca -0.50 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.01 2kly h MET 29 Cb 1.25 0.00 -0.26 0.00 -0.80 0.00 0.00 31.60 31.79 2kly h MET 29 CO 0.94 0.00 0.39 0.54 0.23 0.00 0.00 176.91 179.02 2kly s ASN 30 N -5.18 -0.51 0.45 1.39 4.22 -1.26 -4.95 114.94 109.10 2kly s ASN 30 Ca -0.05 0.89 0.10 0.00 -2.14 0.00 0.00 52.86 51.66 2kly s ASN 30 Cb 0.13 1.06 1.01 0.00 1.28 0.00 0.00 41.25 44.73 2kly s ASN 30 CO 0.41 -0.15 2.09 -0.33 -2.04 0.00 0.00 177.10 177.09 2kly h GLU 31 N 5.23 0.35 0.00 3.55 4.39 -1.96 -1.94 114.58 124.19 2kly h GLU 31 Ca -0.28 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.38 2kly h GLU 31 Cb 1.19 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2kly h GLU 31 CO 0.15 0.23 -0.09 1.05 -1.16 0.00 0.00 179.01 179.19 2kly h GLU 32 N 0.36 0.00 -3.73 2.33 -0.00 -1.98 -3.39 114.58 108.17 2kly h GLU 32 Ca 0.10 0.00 -0.55 0.00 -0.00 0.00 0.00 59.36 58.90 2kly h GLU 32 Cb -0.04 0.00 -0.40 0.00 -0.00 0.00 0.00 28.75 28.32 2kly h GLU 32 CO -0.02 0.09 -0.77 1.21 -0.00 0.00 0.00 179.01 179.53 2kly s ASN 33 N -6.02 3.41 -0.19 3.06 2.47 -0.73 -4.98 114.94 111.97 2kly s ASN 33 Ca -0.03 -1.11 0.04 0.00 0.42 0.00 0.00 52.86 52.18 2kly s ASN 33 Cb 0.13 -0.80 0.38 0.00 -1.45 0.00 0.00 41.25 39.51 2kly s ASN 33 CO 0.56 -0.32 1.35 0.33 -3.72 0.00 0.00 177.10 175.31 2kly n PHE 34 N 4.91 1.40 -0.81 0.43 7.35 -1.26 -3.56 117.46 125.92 2kly n PHE 34 Ca -0.08 -0.89 0.02 0.00 -0.76 0.00 0.00 57.45 55.74 2kly n PHE 34 Cb 0.45 -0.50 0.03 0.00 0.35 0.00 0.00 39.48 39.81 2kly n PHE 34 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2kly n PHE 35 N -0.10 0.00 -3.61 -5.13 3.01 -1.26 -4.94 117.46 105.43 2kly n PHE 35 Ca 0.25 -0.39 -0.20 0.00 1.01 0.00 0.00 57.45 58.12 2kly n PHE 35 Cb 0.97 -0.06 -0.16 0.00 -0.01 0.00 0.00 39.48 40.23 2kly n PHE 35 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 2kly s GLU 36 N -0.96 0.06 0.10 -1.08 2.12 -1.23 -0.43 118.70 117.27 2kly s GLU 36 Ca 0.07 0.28 0.09 0.00 0.36 0.00 0.00 54.97 55.77 2kly s GLU 36 Cb 0.06 -0.95 -0.04 0.00 0.26 0.00 0.00 34.13 33.46 2kly s GLU 36 CO 0.01 -0.49 -0.24 -1.58 -0.54 0.00 0.00 175.26 172.41 2kly s TRP 37 N 2.24 2.09 0.04 5.30 0.52 -0.61 -0.97 118.94 127.55 2kly s TRP 37 Ca 0.04 -0.40 0.05 0.00 0.02 0.00 0.00 56.10 55.82 2kly s TRP 37 Cb -0.14 -1.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.98 2kly s TRP 37 CO -0.08 0.24 -0.11 -2.00 0.02 0.00 0.00 176.95 175.03 2kly s GLU 38 N -1.79 2.30 0.02 4.98 2.12 0.86 -0.17 118.70 127.02 2kly s GLU 38 Ca 0.11 -0.88 0.01 0.00 0.36 0.00 0.00 54.97 54.56 2kly s GLU 38 Cb -0.10 -2.36 -0.01 0.00 0.26 0.00 0.00 34.13 31.92 2kly s GLU 38 CO 0.04 0.56 -0.04 0.00 -0.54 0.00 0.00 175.26 175.28 2kly s ALA 39 N -1.05 0.25 -0.28 6.30 0.00 0.75 -1.31 121.76 126.43 2kly s ALA 39 Ca 0.18 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 2kly s ALA 39 Cb -0.11 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.06 2kly s ALA 39 CO 0.09 -0.04 0.04 -0.51 0.00 0.00 0.00 175.76 175.34 2kly s LEU 40 N -0.90 3.62 -0.59 0.00 1.02 0.19 -0.25 118.68 121.77 2kly s LEU 40 Ca -0.08 -0.67 -0.16 0.00 0.02 0.00 0.00 54.13 53.24 2kly s LEU 40 Cb -0.06 -1.83 0.14 0.00 0.02 0.00 0.00 46.19 44.46 2kly s LEU 40 CO -0.00 -0.15 0.56 -0.63 0.02 0.00 0.00 176.35 176.15 2kly s ILE 41 N 1.48 5.24 -0.43 -0.59 -1.09 0.47 -2.19 121.20 124.09 2kly s ILE 41 Ca 0.03 -1.61 -0.29 0.00 -2.23 0.00 0.00 60.65 56.55 2kly s ILE 41 Cb -0.17 -4.37 0.03 0.00 -1.58 0.00 0.00 42.46 36.36 2kly s ILE 41 CO 0.01 -0.92 1.14 -0.04 -1.23 0.00 0.00 174.94 173.90 2kly s MET 42 N 1.47 3.80 0.39 2.79 -1.94 0.03 -1.03 119.30 124.82 2kly s MET 42 Ca 0.06 0.71 -0.23 0.00 -1.71 0.00 0.00 55.69 54.53 2kly s MET 42 Cb -0.26 -3.87 -0.14 0.00 2.01 0.00 0.00 34.83 32.57 2kly s MET 42 CO 0.01 -1.28 0.48 0.41 -0.01 0.00 0.00 175.02 174.63 2kly n GLY 43 N 4.62 -1.70 3.62 -0.03 0.00 0.33 -4.79 105.19 107.25 2kly n GLY 43 Ca 0.12 0.07 -0.48 0.00 0.00 0.00 0.00 46.02 45.74 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 0.78 1.54 -2.33 1.61 -0.02 -1.26 -4.18 135.00 131.14 2kly n PRO 44 Ca 0.12 0.55 -0.38 0.00 -2.02 0.00 0.00 63.50 61.77 2kly n PRO 44 Cb 0.38 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.69 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 -0.09 4.09 -0.23 -0.52 0.41 -1.26 -2.77 118.70 118.33 2kly s GLU 45 Ca 0.74 1.80 -0.00 0.00 -0.41 0.00 0.00 54.97 57.10 2kly s GLU 45 Cb -0.79 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 28.88 2kly s GLU 45 CO 0.49 -0.28 0.03 -3.47 -0.49 0.00 0.00 175.26 171.54 2kly n ASP 46 N 0.10 -1.82 0.00 -0.19 2.03 -1.26 -4.99 116.55 110.41 2kly n ASP 46 Ca 0.04 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2kly n ASP 46 Cb 0.47 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 2kly n ASP 46 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2kly n THR 47 N -3.80 0.00 0.65 5.18 -2.24 -1.23 -5.05 114.28 107.80 2kly n THR 47 Ca -0.03 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.84 2kly n THR 47 Cb 0.52 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 2kly n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kly n PHE 49 N -1.55 0.00 0.00 0.00 3.72 -1.26 -4.58 117.46 113.79 2kly n PHE 49 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2kly n PHE 49 Cb 0.31 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 2kly n PHE 49 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2kly n GLU 50 N 0.45 0.00 0.08 -1.08 0.28 -1.11 -0.76 120.64 118.50 2kly n GLU 50 Ca 0.15 0.20 0.02 0.00 -0.16 0.00 0.00 57.16 57.36 2kly n GLU 50 Cb 0.45 -0.70 0.09 0.00 1.43 0.00 0.00 31.44 32.72 2kly n GLU 50 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2kly n PHE 51 N -0.39 0.12 -2.39 -1.84 3.01 -1.26 -1.72 117.46 112.98 2kly n PHE 51 Ca 0.00 0.06 -0.39 0.00 1.01 0.00 0.00 57.45 58.13 2kly n PHE 51 Cb 0.00 -0.25 -0.03 0.00 -0.01 0.00 0.00 39.48 39.18 2kly n PHE 51 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2kly s GLY 52 N -2.57 2.95 -0.34 1.37 0.00 0.06 -4.85 107.32 103.95 2kly s GLY 52 Ca -0.00 0.93 0.02 0.00 0.00 0.00 0.00 44.72 45.67 2kly s GLY 52 CO 0.03 1.49 0.08 0.14 0.00 0.00 0.00 173.10 174.85 2kly s VAL 53 N -1.31 1.78 -0.43 1.40 1.01 -1.26 -0.51 120.40 121.08 2kly s VAL 53 Ca 0.51 -2.07 -0.14 0.00 0.00 0.00 0.00 61.98 60.27 2kly s VAL 53 Cb -0.31 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 33.80 2kly s VAL 53 CO 0.40 -0.65 0.32 -0.36 0.00 0.00 0.00 175.10 174.81 2kly s PHE 54 N 1.07 3.25 0.29 5.22 0.08 -0.20 -4.83 117.98 122.87 2kly s PHE 54 Ca 0.11 -0.81 -0.29 0.00 0.12 0.00 0.00 56.93 56.06 2kly s PHE 54 Cb -0.19 -2.81 -0.09 0.00 -0.57 0.00 0.00 43.02 39.36 2kly s PHE 54 CO -0.13 -0.69 1.03 -1.25 -0.10 0.00 0.00 175.22 174.08 2kly s PRO 55 N 1.64 4.64 0.16 0.24 0.04 -1.26 -0.39 135.00 140.07 2kly s PRO 55 Ca 0.04 1.63 -0.09 0.00 0.04 0.00 0.00 61.00 62.62 2kly s PRO 55 Cb -0.21 -3.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 2kly s PRO 55 CO 0.08 0.27 0.29 0.00 0.04 0.00 0.00 177.00 177.68 2kly s ALA 56 N -1.27 -0.04 -0.06 8.56 0.00 0.65 -1.41 121.76 128.19 2kly s ALA 56 Ca 0.46 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.60 2kly s ALA 56 Cb -0.28 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.69 2kly s ALA 56 CO 0.35 -0.65 -0.17 0.42 0.00 0.00 0.00 175.76 175.72 2kly s ILE 57 N -3.96 1.44 -0.25 0.00 1.01 0.11 -0.17 121.20 119.38 2kly s ILE 57 Ca 0.16 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 60.06 2kly s ILE 57 Cb 0.03 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 2kly s ILE 57 CO -0.01 0.42 0.05 -0.76 0.00 0.00 0.00 174.94 174.64 2kly s LEU 58 N 0.27 3.34 -0.27 2.97 1.02 0.76 -1.08 118.68 125.69 2kly s LEU 58 Ca -0.09 -0.28 -0.12 0.00 0.02 0.00 0.00 54.13 53.65 2kly s LEU 58 Cb -0.14 -1.88 -0.05 0.00 0.02 0.00 0.00 46.19 44.15 2kly s LEU 58 CO 0.04 -0.04 0.23 -0.55 0.02 0.00 0.00 176.35 176.05 2kly s SER 59 N 1.58 6.10 -0.22 2.29 0.15 0.48 -1.58 113.70 122.51 2kly s SER 59 Ca 0.06 0.10 -0.12 0.00 0.70 0.00 0.00 55.95 56.69 2kly s SER 59 Cb -0.15 -2.14 -0.05 0.00 -1.71 0.00 0.00 66.02 61.97 2kly s SER 59 CO 0.02 -0.06 0.20 -0.36 1.20 0.00 0.00 173.24 174.24 2kly s PHE 60 N 1.71 3.36 -0.00 3.44 0.08 0.43 -1.26 117.98 125.72 2kly s PHE 60 Ca 0.09 0.34 -0.04 0.00 0.12 0.00 0.00 56.93 57.44 2kly s PHE 60 Cb -0.16 -2.30 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 2kly s PHE 60 CO 0.10 0.11 0.57 -1.00 -0.10 0.00 0.00 175.22 174.90 2kly h PRO 61 N 7.25 -0.14 0.00 0.24 0.13 -1.87 -3.46 132.00 134.16 2kly h PRO 61 Ca -0.39 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2kly h PRO 61 Cb 1.16 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kly h PRO 61 CO 0.70 -0.09 0.00 -0.11 -0.23 0.00 0.00 178.00 178.26 2kly n LEU 62 N -2.66 0.00 -1.37 1.56 0.00 -1.26 -4.98 117.00 108.29 2kly n LEU 62 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 56.01 56.06 2kly n LEU 62 Cb 0.06 0.00 0.28 0.00 0.00 0.00 0.00 43.42 43.76 2kly n LEU 62 CO 0.04 0.00 0.72 0.47 0.00 0.00 0.00 177.39 178.62 2kly n ASP 63 N 0.00 4.01 -4.77 1.96 8.00 -1.26 -4.69 116.55 119.80 2kly n ASP 63 Ca 0.00 -2.45 -0.40 0.00 0.71 0.00 0.00 54.79 52.65 2kly n ASP 63 Cb 0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 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 -1.95 2.66 -0.42 1.24 5.04 -1.25 0.19 117.35 122.86 2kly s TYR 64 Ca 0.40 1.35 0.09 0.00 -2.44 0.00 0.00 57.07 56.46 2kly s TYR 64 Cb 0.27 -3.78 0.59 0.00 0.35 0.00 0.00 41.96 39.39 2kly s TYR 64 CO 0.17 -2.45 1.47 -0.35 -1.34 0.00 0.00 175.55 173.04 2kly n PRO 65 N -0.01 3.54 0.08 4.97 -0.04 -1.26 -3.14 135.00 139.14 2kly n PRO 65 Ca 0.04 -2.31 -0.14 0.00 -0.04 0.00 0.00 63.50 61.06 2kly n PRO 65 Cb 0.43 -2.03 -0.08 0.00 -0.04 0.00 0.00 33.50 31.78 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 2.60 0.45 -9.00 1.53 3.38 -0.66 -3.42 115.31 110.19 2kly h LEU 66 Ca 0.08 -0.40 -0.69 0.00 0.09 0.00 0.00 57.88 56.97 2kly h LEU 66 Cb 1.74 -0.14 -0.21 0.00 0.09 0.00 0.00 40.66 42.13 2kly h LEU 66 CO 0.45 1.24 -0.76 -0.44 0.09 0.00 0.00 178.44 179.02 2kly s SER 67 N -7.08 4.12 0.25 -0.43 0.01 0.51 -4.98 113.70 106.10 2kly s SER 67 Ca -0.05 -0.24 -0.30 0.00 1.31 0.00 0.00 55.95 56.68 2kly s SER 67 Cb 0.08 -0.85 -0.09 0.00 0.21 0.00 0.00 66.02 65.38 2kly s SER 67 CO 0.87 0.31 1.11 -2.16 0.41 0.00 0.00 173.24 173.77 2kly s PRO 68 N -1.08 4.62 0.80 12.44 0.04 -1.26 -3.83 135.00 146.73 2kly s PRO 68 Ca 0.14 1.79 -0.12 0.00 0.04 0.00 0.00 61.00 62.85 2kly s PRO 68 Cb -0.11 -3.21 0.07 0.00 0.04 0.00 0.00 34.50 31.29 2kly s PRO 68 CO 0.03 0.16 1.15 -1.25 0.04 0.00 0.00 177.00 177.14 2kly s PRO 69 N -1.11 2.06 0.42 0.56 0.04 -1.26 -4.80 135.00 130.91 2kly s PRO 69 Ca 0.46 0.23 0.07 0.00 0.04 0.00 0.00 61.00 61.80 2kly s PRO 69 Cb -0.31 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 2kly s PRO 69 CO 0.39 -1.55 0.17 0.21 0.04 0.00 0.00 177.00 176.26 2kly s LYS 70 N -5.48 2.21 -0.10 4.56 2.20 -0.39 -4.68 119.74 118.06 2kly s LYS 70 Ca 0.61 -1.89 -0.11 0.00 -0.36 0.00 0.00 55.97 54.22 2kly s LYS 70 Cb -0.12 -1.95 0.03 0.00 -1.51 0.00 0.00 37.83 34.29 2kly s LYS 70 CO 0.50 -0.14 0.31 1.41 -0.36 0.00 0.00 175.35 177.07 2kly s MET 71 N -3.91 0.41 -0.05 4.03 -2.45 -1.26 -0.38 119.30 115.70 2kly s MET 71 Ca 0.39 0.33 -0.04 0.00 -1.25 0.00 0.00 55.69 55.12 2kly s MET 71 Cb 0.04 0.20 0.01 0.00 1.25 0.00 0.00 34.83 36.33 2kly s MET 71 CO 0.21 -0.06 0.12 -0.98 1.05 0.00 0.00 175.02 175.36 2kly s ARG 72 N -0.08 0.14 -0.08 4.11 1.70 -0.24 -0.12 118.95 124.38 2kly s ARG 72 Ca -0.02 0.17 -0.18 0.00 -0.47 0.00 0.00 55.73 55.23 2kly s ARG 72 Cb -0.03 0.06 -0.05 0.00 -0.57 0.00 0.00 34.95 34.37 2kly s ARG 72 CO 0.01 -0.02 0.50 -0.06 -1.08 0.00 0.00 175.30 174.64 2kly s PHE 73 N 0.10 3.57 -2.37 5.89 0.08 -1.07 0.09 117.98 124.26 2kly s PHE 73 Ca -0.00 0.97 0.25 0.00 0.12 0.00 0.00 56.93 58.27 2kly s PHE 73 Cb -0.01 -2.54 0.53 0.00 -0.57 0.00 0.00 43.02 40.43 2kly s PHE 73 CO -0.00 0.25 1.44 0.25 -0.10 0.00 0.00 175.22 177.06 2kly n THR 74 N 3.29 0.00 -2.71 0.64 -2.24 -0.50 -4.81 114.28 107.95 2kly n THR 74 Ca -0.08 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2kly n THR 74 Cb 0.52 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 2kly n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kly s GLU 76 N -0.83 1.94 0.00 0.00 -1.05 -1.26 -5.02 118.70 112.48 2kly s GLU 76 Ca 0.00 -1.08 0.00 0.00 -0.15 0.00 0.00 54.97 53.74 2kly s GLU 76 Cb 0.00 -2.17 0.00 0.00 -0.44 0.00 0.00 34.13 31.52 2kly s GLU 76 CO 0.00 0.51 0.00 0.00 0.95 0.00 0.00 175.26 176.72 2kly n MET 77 N 1.05 0.00 -3.24 -4.83 0.00 -1.26 -4.90 117.12 103.94 2kly n MET 77 Ca -0.15 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.51 2kly n MET 77 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.71 2kly n MET 77 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 2kly s PHE 78 N -5.40 -1.34 -0.09 3.17 5.36 -1.26 -5.09 117.98 113.32 2kly s PHE 78 Ca 0.00 0.50 -0.04 0.00 -0.96 0.00 0.00 56.93 56.43 2kly s PHE 78 Cb 0.00 0.05 0.04 0.00 -0.34 0.00 0.00 43.02 42.77 2kly s PHE 78 CO 0.00 -1.04 0.20 -1.58 -1.46 0.00 0.00 175.22 171.34 2kly s HIS 79 N 2.49 -0.25 0.47 10.12 2.46 -1.26 -4.95 115.29 124.37 2kly s HIS 79 Ca 0.11 0.65 0.17 0.00 0.47 0.00 0.00 55.06 56.46 2kly s HIS 79 Cb -0.11 -0.01 1.16 0.00 -0.13 0.00 0.00 32.58 33.50 2kly s HIS 79 CO -0.24 -0.20 2.05 -1.00 -2.47 0.00 0.00 174.74 172.88 2kly h PRO 80 N 7.19 0.00 0.00 2.88 0.13 -1.80 -1.52 132.00 138.88 2kly h PRO 80 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kly h PRO 80 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kly h PRO 80 CO 0.40 0.13 -0.00 -1.71 -0.23 0.00 0.00 178.00 176.58 2kly n ASN 81 N -4.26 0.14 -4.87 1.44 5.15 -1.25 -0.70 115.26 110.91 2kly n ASN 81 Ca -0.03 0.51 -0.33 0.00 -0.60 0.00 0.00 54.58 54.13 2kly n ASN 81 Cb 0.20 -0.55 -0.06 0.00 -0.53 0.00 0.00 39.78 38.85 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 -3.02 5.23 0.45 -1.44 1.01 -0.57 -4.09 121.20 118.77 2kly s ILE 82 Ca 0.13 -0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.35 2kly s ILE 82 Cb 0.18 -3.42 -0.08 0.00 0.01 0.00 0.00 42.46 39.15 2kly s ILE 82 CO 0.54 0.35 1.14 -0.31 0.00 0.00 0.00 174.94 176.67 2kly s TYR 83 N -1.27 2.93 0.44 3.97 2.02 -0.23 -2.99 117.35 122.23 2kly s TYR 83 Ca 0.25 1.55 0.39 0.00 -0.37 0.00 0.00 57.07 58.90 2kly s TYR 83 Cb -0.12 -3.33 1.97 0.00 -0.40 0.00 0.00 41.96 40.07 2kly s TYR 83 CO 0.16 -1.36 2.21 -1.35 -1.57 0.00 0.00 175.55 173.65 2kly h PRO 84 N 2.08 0.00 -0.09 -1.71 0.11 -1.85 0.27 132.00 130.81 2kly h PRO 84 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kly h PRO 84 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2kly h PRO 84 CO 0.60 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 2kly n ASP 85 N -3.13 0.55 0.00 -2.05 5.68 -1.26 -4.90 116.55 111.43 2kly n ASP 85 Ca -0.02 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 2kly n ASP 85 Cb 0.17 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 2kly n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kly n GLY 86 N 0.75 2.83 3.73 6.12 0.00 0.08 -5.01 105.19 113.70 2kly n GLY 86 Ca 0.08 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 2.43 -3.67 1.61 0.63 -1.26 -2.60 116.66 113.80 2kly n ARG 87 Ca 0.00 0.86 -0.37 0.00 -0.92 0.00 0.00 57.85 57.42 2kly n ARG 87 Cb 0.00 -2.55 -0.07 0.00 0.45 0.00 0.00 32.46 30.30 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 -0.71 5.33 0.00 5.15 1.01 0.83 -1.07 120.40 130.94 2kly s VAL 88 Ca 0.58 0.44 0.00 0.00 0.00 0.00 0.00 61.98 63.01 2kly s VAL 88 Cb -0.53 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2kly s VAL 88 CO 0.58 0.52 0.00 0.00 0.00 0.00 0.00 175.10 176.20 2kly n ILE 90 N 0.00 -6.84 0.28 0.00 5.41 -1.26 -4.40 119.36 112.54 2kly n ILE 90 Ca 0.00 2.42 0.12 0.00 1.00 0.00 0.00 62.75 66.29 2kly n ILE 90 Cb 0.00 -3.60 0.79 0.00 -0.71 0.00 0.00 39.64 36.12 2kly n ILE 90 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2kly h SER 91 N 2.86 0.00 -0.54 4.38 4.64 -1.92 -1.89 113.55 121.07 2kly h SER 91 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 2kly h SER 91 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2kly h SER 91 CO 0.00 0.03 0.32 -0.29 -0.87 0.00 0.00 176.83 176.02 2kly h ILE 92 N 0.00 1.04 -0.22 0.95 2.10 -1.85 -1.56 117.51 117.96 2kly h ILE 92 Ca -0.00 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.72 2kly h ILE 92 Cb 0.08 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 36.16 2kly h ILE 92 CO 0.00 0.11 0.00 0.18 -1.08 0.00 0.00 178.15 177.37 2kly n LEU 93 N -4.79 2.14 -0.03 2.19 4.77 -0.76 -3.47 117.00 117.05 2kly n LEU 93 Ca 0.04 -0.90 -0.03 0.00 -0.03 0.00 0.00 56.01 55.09 2kly n LEU 93 Cb 0.09 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.03 2kly n LEU 93 CO 0.32 0.45 -0.23 1.57 -1.33 0.00 0.00 177.39 178.17 2kly n HIS 94 N 0.64 0.00 -3.64 -1.77 -0.00 -0.65 -4.46 115.22 105.35 2kly n HIS 94 Ca 0.17 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.24 2kly n HIS 94 Cb 0.40 -0.17 -0.07 0.00 -0.12 0.00 0.00 29.99 30.04 2kly n HIS 94 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kly s ALA 95 N -2.96 -1.91 0.23 1.57 0.00 -0.84 -4.82 121.76 113.04 2kly s ALA 95 Ca -0.10 2.03 0.02 0.00 0.00 0.00 0.00 51.96 53.91 2kly s ALA 95 Cb 0.01 -1.35 0.23 0.00 0.00 0.00 0.00 23.12 22.01 2kly s ALA 95 CO 0.14 -0.30 1.56 -1.35 0.00 0.00 0.00 175.76 175.81 2kly h PRO 96 N 4.99 0.34 -2.22 0.00 0.11 -1.82 -3.33 132.00 130.08 2kly h PRO 96 Ca -0.29 -0.22 -0.59 0.00 0.11 0.00 0.00 66.00 65.01 2kly h PRO 96 Cb 1.18 0.03 -0.42 0.00 0.11 0.00 0.00 31.00 31.90 2kly h PRO 96 CO 0.10 0.81 -0.65 0.41 -0.21 0.00 0.00 178.00 178.46 2kly n GLY 97 N 0.21 5.03 3.87 -0.55 0.00 -1.26 -4.75 105.19 107.74 2kly n GLY 97 Ca -0.03 -2.70 -0.30 0.00 0.00 0.00 0.00 46.02 42.99 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 -2.83 6.53 -0.03 1.61 2.15 -1.25 -5.03 116.67 117.82 2kly s ASP 98 Ca 0.43 1.15 -0.30 0.00 0.43 0.00 0.00 52.55 54.27 2kly s ASP 98 Cb 0.21 -2.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.46 2kly s ASP 98 CO -0.07 -0.41 1.21 -0.62 -0.17 0.00 0.00 175.17 175.12 2kly s ASP 99 N -3.14 7.05 -0.65 -0.34 -1.08 -1.26 -4.93 116.67 112.31 2kly s ASP 99 Ca 0.52 1.88 -0.26 0.00 -0.52 0.00 0.00 52.55 54.16 2kly s ASP 99 Cb -0.10 -2.56 -0.09 0.00 -1.46 0.00 0.00 42.92 38.71 2kly s ASP 99 CO 0.31 -0.56 2.30 -2.84 0.52 0.00 0.00 175.17 174.90 2kly s PRO 100 N 1.97 2.02 -0.03 4.34 0.02 -1.26 -4.79 135.00 137.26 2kly s PRO 100 Ca 0.57 0.82 -0.21 0.00 0.02 0.00 0.00 61.00 62.20 2kly s PRO 100 Cb -0.26 -4.68 -0.31 0.00 0.02 0.00 0.00 34.50 29.27 2kly s PRO 100 CO 0.24 -3.65 0.94 0.52 -0.33 0.00 0.00 177.00 174.72 2kly h MET 101 N 15.83 0.34 0.00 5.54 2.86 -1.92 -3.45 114.93 134.13 2kly h MET 101 Ca -0.12 -0.55 0.00 0.00 -2.06 0.00 0.00 59.70 56.97 2kly h MET 101 Cb 1.14 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.99 2kly h MET 101 CO 1.12 1.25 0.00 0.41 1.06 0.00 0.00 176.91 180.74 2kly n GLY 102 N 1.59 -0.03 0.10 8.32 0.00 -1.26 -4.90 105.19 109.01 2kly n GLY 102 Ca -0.14 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2kly n GLY 102 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2kly n TYR 103 N -1.83 0.00 -4.07 1.61 4.11 -1.26 -4.99 117.16 110.72 2kly n TYR 103 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 57.92 2kly n TYR 103 Cb 0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 39.34 39.32 2kly n TYR 103 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 2kly n GLU 104 N -0.38 -0.24 -0.06 -3.48 4.71 -1.26 -3.56 120.64 116.36 2kly n GLU 104 Ca 0.00 0.16 0.06 0.00 -0.01 0.00 0.00 57.16 57.37 2kly n GLU 104 Cb 0.05 -0.30 0.26 0.00 -1.01 0.00 0.00 31.44 30.44 2kly n GLU 104 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2kly n SER 105 N -1.58 0.84 -4.09 1.62 2.88 -1.26 -4.62 113.62 107.41 2kly n SER 105 Ca 0.00 -1.78 -0.29 0.00 -1.33 0.00 0.00 58.87 55.46 2kly n SER 105 Cb 0.05 -0.08 0.23 0.00 -0.75 0.00 0.00 64.21 63.67 2kly n SER 105 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kly s SER 106 N -1.28 1.03 0.12 -3.46 0.01 -1.23 -4.90 113.70 103.98 2kly s SER 106 Ca 0.20 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.40 2kly s SER 106 Cb 0.10 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.93 2kly s SER 106 CO 0.15 -4.09 0.00 0.00 0.41 0.00 0.00 173.24 169.71 2kly n ALA 107 N -4.78 -0.83 -1.80 1.44 0.00 -1.26 -4.93 120.51 108.34 2kly n ALA 107 Ca 0.09 0.17 -0.34 0.00 0.00 0.00 0.00 53.44 53.37 2kly n ALA 107 Cb 0.58 -0.33 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 2kly n ALA 107 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2kly s GLU 108 N -2.60 3.93 0.12 0.00 2.02 -1.26 -5.05 118.70 115.86 2kly s GLU 108 Ca 0.00 1.27 0.10 0.00 0.02 0.00 0.00 54.97 56.36 2kly s GLU 108 Cb 0.00 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 2kly s GLU 108 CO 0.00 -0.31 -0.26 1.03 0.02 0.00 0.00 175.26 175.74 2kly s ARG 109 N -3.26 1.34 -0.13 1.61 1.81 -1.26 -3.47 118.95 115.58 2kly s ARG 109 Ca 0.65 -1.31 -0.35 0.00 -1.72 0.00 0.00 55.73 53.00 2kly s ARG 109 Cb -0.14 -1.79 -0.12 0.00 -0.45 0.00 0.00 34.95 32.45 2kly s ARG 109 CO 0.18 0.42 1.88 1.87 -0.68 0.00 0.00 175.30 178.97 2kly n TRP 110 N 0.94 2.26 -4.06 -0.53 -0.00 -1.23 -4.93 117.44 109.89 2kly n TRP 110 Ca -0.18 0.09 -0.08 0.00 -0.00 0.00 0.00 57.50 57.32 2kly n TRP 110 Cb 0.53 -2.63 -0.10 0.00 -0.00 0.00 0.00 31.31 29.11 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 4.16 0.49 0.32 5.87 0.01 -1.26 -4.47 113.70 118.81 2kly s SER 111 Ca 0.94 -0.83 0.16 0.00 1.31 0.00 0.00 55.95 57.54 2kly s SER 111 Cb -0.76 0.15 0.86 0.00 0.21 0.00 0.00 66.02 66.49 2kly s SER 111 CO 0.54 -0.48 1.42 -2.65 0.41 0.00 0.00 173.24 172.48 2kly n PRO 112 N 0.62 0.11 -0.34 12.44 -0.02 -1.26 -0.82 135.00 145.71 2kly n PRO 112 Ca -0.17 0.59 0.04 0.00 -2.02 0.00 0.00 63.50 61.94 2kly n PRO 112 Cb 0.59 -2.04 0.19 0.00 -0.02 0.00 0.00 33.50 32.21 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 -2.11 1.02 -1.99 -1.45 3.14 -1.26 -4.90 118.33 110.77 2kly n VAL 113 Ca -0.01 -0.62 -0.28 0.00 -2.96 0.00 0.00 64.34 60.47 2kly n VAL 113 Cb 0.22 -0.14 0.08 0.00 -1.06 0.00 0.00 33.84 32.94 2kly n VAL 113 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 2kly s GLN 114 N -1.73 2.20 -0.29 1.45 -1.52 -0.00 -5.09 119.66 114.68 2kly s GLN 114 Ca 0.26 0.07 -0.20 0.00 -1.95 0.00 0.00 55.36 53.54 2kly s GLN 114 Cb 0.18 -2.03 0.15 0.00 -0.22 0.00 0.00 33.01 31.08 2kly s GLN 114 CO 0.11 -1.38 1.06 -1.12 -0.25 0.00 0.00 175.29 173.71 2kly s SER 115 N -4.52 -0.41 0.56 5.90 0.01 -1.26 -5.05 113.70 108.93 2kly s SER 115 Ca 0.61 0.71 0.25 0.00 1.31 0.00 0.00 55.95 58.83 2kly s SER 115 Cb -0.11 0.98 1.52 0.00 0.21 0.00 0.00 66.02 68.61 2kly s SER 115 CO 0.48 -0.12 2.08 -0.37 0.41 0.00 0.00 173.24 175.73 2kly h VAL 116 N 4.33 0.64 0.21 3.43 -1.51 -1.98 0.05 116.25 121.42 2kly h VAL 116 Ca -0.28 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.18 2kly h VAL 116 Cb 1.19 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.19 2kly h VAL 116 CO 0.17 0.00 -0.10 -0.08 -1.23 0.00 0.00 177.57 176.33 2kly h GLU 117 N 0.00 -0.27 -0.78 5.19 4.81 -1.97 -1.85 114.58 119.71 2kly h GLU 117 Ca 0.11 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2kly h GLU 117 Cb 0.53 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 2kly h GLU 117 CO -0.00 0.04 0.50 -0.22 -0.73 0.00 0.00 179.01 178.61 2kly h LYS 118 N -0.60 1.03 -0.23 1.92 3.64 -1.63 -0.82 116.57 119.89 2kly h LYS 118 Ca -0.03 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2kly h LYS 118 Cb 0.44 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2kly h LYS 118 CO 0.05 0.69 0.01 0.82 -2.27 0.00 0.00 179.45 178.75 2kly h ILE 119 N 1.05 0.85 0.00 2.00 2.04 -1.03 0.12 117.51 122.55 2kly h ILE 119 Ca 0.28 -0.03 -0.07 0.00 1.00 0.00 0.00 64.86 66.04 2kly h ILE 119 Cb -0.10 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2kly h ILE 119 CO -0.06 0.02 -0.35 -0.07 0.00 0.00 0.00 178.15 177.68 2kly h LEU 120 N 0.09 0.00 -0.63 1.44 4.07 -1.02 -0.40 115.31 118.86 2kly h LEU 120 Ca 0.11 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.92 2kly h LEU 120 Cb 0.13 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2kly h LEU 120 CO -0.17 0.35 -0.49 -0.07 -1.08 0.00 0.00 178.44 176.98 2kly h LEU 121 N 0.00 0.53 -0.82 1.67 -0.00 -0.40 -0.58 115.31 115.71 2kly h LEU 121 Ca -0.00 -0.26 -0.12 0.00 -0.00 0.00 0.00 57.88 57.49 2kly h LEU 121 Cb 0.89 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.38 2kly h LEU 121 CO 0.05 0.94 -0.58 0.77 -0.00 0.00 0.00 178.44 179.61 2kly h SER 122 N 0.39 0.00 -0.64 -0.43 4.64 -0.27 0.25 113.55 117.48 2kly h SER 122 Ca 0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2kly h SER 122 Cb 1.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 2kly h SER 122 CO 0.09 0.58 0.37 0.58 -0.87 0.00 0.00 176.83 177.57 2kly h VAL 123 N 0.00 1.20 -0.71 0.95 2.07 -0.74 -0.57 116.25 118.44 2kly h VAL 123 Ca -0.01 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 2kly h VAL 123 Cb 1.04 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2kly h VAL 123 CO 0.08 0.21 0.24 0.58 0.02 0.00 0.00 177.57 178.70 2kly h VAL 124 N 0.87 1.25 -0.45 2.57 2.07 -0.61 -1.86 116.25 120.11 2kly h VAL 124 Ca 0.23 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2kly h VAL 124 Cb 0.01 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2kly h VAL 124 CO -0.04 0.34 0.29 -1.28 0.02 0.00 0.00 177.57 176.89 2kly h SER 125 N 1.05 0.52 0.50 0.57 0.87 -0.43 -1.61 113.55 115.03 2kly h SER 125 Ca 0.23 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.68 2kly h SER 125 Cb 0.27 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2kly h SER 125 CO -0.01 0.39 -0.41 0.00 -0.53 0.00 0.00 176.83 176.26 2kly h MET 126 N 0.60 0.00 0.00 2.24 -0.00 -0.91 0.12 114.93 116.98 2kly h MET 126 Ca 0.16 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.75 2kly h MET 126 Cb -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.53 2kly h MET 126 CO -0.03 0.41 -0.53 -0.07 -0.00 0.00 0.00 176.91 176.69 2kly h LEU 127 N 0.00 0.00 0.00 -0.10 3.38 -0.74 -2.59 115.31 115.26 2kly h LEU 127 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2kly h LEU 127 Cb 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2kly h LEU 127 CO 0.05 0.53 -1.24 0.00 0.09 0.00 0.00 178.44 177.88 2kly h ALA 128 N 1.47 0.62 -3.15 1.53 0.00 -0.89 -3.41 119.26 115.43 2kly h ALA 128 Ca -0.01 -0.60 -0.62 0.00 0.00 0.00 0.00 54.91 53.68 2kly h ALA 128 Cb 1.05 0.19 -0.40 0.00 0.00 0.00 0.00 17.79 18.63 2kly h ALA 128 CO 0.07 0.66 -0.71 -2.00 0.00 0.00 0.00 179.25 177.27 2kly s GLU 129 N -3.04 1.43 0.55 0.00 2.12 0.39 -5.02 118.70 115.13 2kly s GLU 129 Ca -0.02 -2.08 0.44 0.00 0.36 0.00 0.00 54.97 53.67 2kly s GLU 129 Cb 0.09 -2.62 1.66 0.00 0.26 0.00 0.00 34.13 33.52 2kly s GLU 129 CO 0.80 -1.12 1.67 -1.35 -0.54 0.00 0.00 175.26 174.73 2kly h PRO 130 N 6.83 0.00 -3.36 4.30 0.11 -1.70 -3.11 132.00 135.08 2kly h PRO 130 Ca -0.04 -0.00 -0.76 0.00 0.11 0.00 0.00 66.00 65.31 2kly h PRO 130 Cb 0.93 -0.00 -0.31 0.00 0.11 0.00 0.00 31.00 31.73 2kly h PRO 130 CO 0.54 0.00 0.24 -1.71 -0.21 0.00 0.00 178.00 176.85 2kly n ASN 131 N -4.05 5.02 -0.01 -2.05 5.15 -1.26 -3.91 115.26 114.15 2kly n ASN 131 Ca 0.36 -3.13 -0.12 0.00 -0.60 0.00 0.00 54.58 51.10 2kly n ASN 131 Cb 1.68 -1.21 -0.08 0.00 -0.53 0.00 0.00 39.78 39.64 2kly n ASN 131 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2kly h ASP 132 N 6.18 0.09 0.00 1.20 3.58 -1.82 -3.47 116.42 122.18 2kly h ASP 132 Ca 0.18 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2kly h ASP 132 Cb 0.81 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2kly h ASP 132 CO 0.98 0.35 0.00 -1.84 -2.88 0.00 0.00 179.24 175.85 2kly n GLU 133 N -4.89 0.00 -2.31 0.28 0.28 -1.26 -5.03 120.64 107.72 2kly n GLU 133 Ca -0.07 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.61 2kly n GLU 133 Cb 0.17 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.01 2kly n GLU 133 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2kly s SER 134 N -1.66 6.53 -0.75 -1.84 1.04 -1.26 -4.40 113.70 111.37 2kly s SER 134 Ca 0.00 1.51 0.01 0.00 0.48 0.00 0.00 55.95 57.95 2kly s SER 134 Cb 0.00 -2.49 0.36 0.00 0.10 0.00 0.00 66.02 63.99 2kly s SER 134 CO 0.00 -0.64 1.67 0.61 0.98 0.00 0.00 173.24 175.86 2kly n GLY 135 N -1.83 5.76 0.39 7.32 0.00 -1.26 -4.35 105.19 111.23 2kly n GLY 135 Ca 0.06 -2.60 -0.17 0.00 0.00 0.00 0.00 46.02 43.32 2kly n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kly h ALA 136 N 3.09 -0.87 -2.15 4.61 0.00 -1.71 -3.34 119.26 118.89 2kly h ALA 136 Ca 0.46 -0.16 -0.72 0.00 0.00 0.00 0.00 54.91 54.48 2kly h ALA 136 Cb 0.34 0.47 -0.21 0.00 0.00 0.00 0.00 17.79 18.40 2kly h ALA 136 CO 1.19 -1.01 0.26 1.21 0.00 0.00 0.00 179.25 180.90 2kly s ASN 137 N -4.48 6.43 0.29 0.00 3.84 0.12 -4.74 114.94 116.40 2kly s ASN 137 Ca -0.17 -1.91 -0.01 0.00 0.21 0.00 0.00 52.86 50.98 2kly s ASN 137 Cb 0.05 -2.30 0.42 0.00 -0.55 0.00 0.00 41.25 38.87 2kly s ASN 137 CO 0.62 -0.96 1.87 0.58 -2.79 0.00 0.00 177.10 176.43 2kly h VAL 138 N 5.61 1.22 -0.15 -5.21 2.07 -1.86 -1.11 116.25 116.83 2kly h VAL 138 Ca -0.09 -0.67 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 2kly h VAL 138 Cb 1.06 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2kly h VAL 138 CO 1.01 0.27 -0.31 -0.78 0.02 0.00 0.00 177.57 177.78 2kly h ASP 139 N 0.89 0.29 -0.03 0.57 3.58 -1.94 0.16 116.42 119.94 2kly h ASP 139 Ca 0.21 -0.10 -0.20 0.00 0.42 0.00 0.00 57.03 57.36 2kly h ASP 139 Cb 0.16 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.13 2kly h ASP 139 CO -0.02 0.60 -0.70 0.00 -2.88 0.00 0.00 179.24 176.23 2kly h ALA 140 N 1.42 0.46 -0.07 -0.78 0.00 -1.70 -1.03 119.26 117.56 2kly h ALA 140 Ca 0.03 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 2kly h ALA 140 Cb 0.68 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2kly h ALA 140 CO 0.05 0.71 -0.60 0.77 0.00 0.00 0.00 179.25 180.17 2kly h SER 141 N 0.47 0.28 0.56 0.00 0.02 -0.84 -1.48 113.55 112.56 2kly h SER 141 Ca -0.03 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 2kly h SER 141 Cb 1.30 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.77 2kly h SER 141 CO 0.14 0.82 -0.27 0.50 -1.14 0.00 0.00 176.83 176.88 2kly h LYS 142 N 0.18 -0.73 0.00 3.45 3.11 -0.58 -2.06 116.57 119.95 2kly h LYS 142 Ca -0.01 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 2kly h LYS 142 Cb 1.11 0.17 0.00 0.00 -1.00 0.00 0.00 32.23 32.50 2kly h LYS 142 CO 0.09 -0.43 0.00 1.98 -2.81 0.00 0.00 179.45 178.28 2kly h MET 143 N -1.11 0.00 0.05 1.90 4.05 -1.25 -2.16 114.93 116.41 2kly h MET 143 Ca -0.08 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.11 2kly h MET 143 Cb 0.63 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.42 2kly h MET 143 CO 0.13 0.00 -1.04 2.35 0.23 0.00 0.00 176.91 178.57 2kly h TRP 144 N 0.00 0.38 0.00 1.39 -0.00 -1.15 -3.29 115.95 113.28 2kly h TRP 144 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 58.89 58.65 2kly h TRP 144 Cb 0.24 -0.03 0.00 0.00 -0.00 0.00 0.00 29.16 29.37 2kly h TRP 144 CO 0.00 1.12 0.00 -2.13 -0.00 0.00 0.00 178.44 177.43 2kly n ARG 145 N -3.58 0.00 -0.03 2.65 0.63 -0.79 -3.57 116.66 111.97 2kly n ARG 145 Ca -0.05 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.92 2kly n ARG 145 Cb 0.91 -0.09 -0.14 0.00 0.45 0.00 0.00 32.46 33.59 2kly n ARG 145 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2kly n ASP 146 N 0.00 0.85 -1.81 6.15 2.03 -1.26 -4.68 116.55 117.83 2kly n ASP 146 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 2kly n ASP 146 Cb 0.00 1.57 -0.06 0.00 -0.72 0.00 0.00 41.12 41.91 2kly n ASP 146 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kly n ASP 147 N -2.27 4.32 -0.22 1.67 8.00 -1.24 -4.48 116.55 122.33 2kly n ASP 147 Ca -0.10 -2.21 0.19 0.00 0.71 0.00 0.00 54.79 53.37 2kly n ASP 147 Cb 0.63 -1.02 0.52 0.00 -0.02 0.00 0.00 41.12 41.23 2kly n ASP 147 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2kly h ARG 148 N 2.43 0.37 -0.54 -1.24 3.08 -1.68 -0.22 114.38 116.59 2kly h ARG 148 Ca 0.07 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 2kly h ARG 148 Cb 1.00 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 2kly h ARG 148 CO 0.12 0.25 0.20 1.05 -1.07 0.00 0.00 179.97 180.52 2kly h GLU 149 N 0.38 0.78 -0.13 0.04 4.11 -1.89 0.15 114.58 118.02 2kly h GLU 149 Ca 0.44 -0.12 -0.11 0.00 0.07 0.00 0.00 59.36 59.64 2kly h GLU 149 Cb 1.13 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2kly h GLU 149 CO -0.15 0.66 -0.39 1.96 0.07 0.00 0.00 179.01 181.15 2kly h GLN 150 N 0.77 0.29 -0.17 1.06 1.08 -1.34 -1.61 115.11 115.19 2kly h GLN 150 Ca 0.18 -0.14 -0.05 0.00 -1.45 0.00 0.00 58.65 57.19 2kly h GLN 150 Cb 0.18 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2kly h GLN 150 CO -0.01 0.64 -0.10 0.35 -0.95 0.00 0.00 178.83 178.76 2kly h PHE 151 N 0.25 0.44 -0.33 2.96 3.57 -0.98 -2.81 116.94 120.03 2kly h PHE 151 Ca 0.02 -0.11 0.03 0.00 3.53 0.00 0.00 57.97 61.44 2kly h PHE 151 Cb 0.80 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 2kly h PHE 151 CO 0.02 0.70 0.14 1.88 -2.23 0.00 0.00 178.31 178.82 2kly h TYR 152 N 0.05 0.26 -0.64 0.41 0.05 -0.52 0.20 116.97 116.79 2kly h TYR 152 Ca 0.04 0.01 -0.09 0.00 0.05 0.00 0.00 58.73 58.74 2kly h TYR 152 Cb 0.60 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 2kly h TYR 152 CO 0.07 0.13 0.06 1.57 -1.05 0.00 0.00 178.16 178.94 2kly h LYS 153 N 0.31 1.09 -0.28 4.88 2.10 -1.34 -0.50 116.57 122.82 2kly h LYS 153 Ca 0.14 -0.32 -0.12 0.00 -2.00 0.00 0.00 60.65 58.36 2kly h LYS 153 Cb 0.08 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.28 2kly h LYS 153 CO -0.12 1.03 -0.33 0.82 -2.00 0.00 0.00 179.45 178.85 2kly h ILE 154 N 1.01 1.28 -0.40 0.07 2.04 -1.31 -2.50 117.51 117.71 2kly h ILE 154 Ca 0.19 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 2kly h ILE 154 Cb 0.50 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2kly h ILE 154 CO 0.02 0.46 0.21 0.00 0.00 0.00 0.00 178.15 178.84 2kly h ALA 155 N 1.14 0.52 -0.68 1.87 0.00 0.06 -1.24 119.26 120.93 2kly h ALA 155 Ca 0.06 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2kly h ALA 155 Cb 0.81 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2kly h ALA 155 CO 0.07 0.06 0.23 0.87 0.00 0.00 0.00 179.25 180.48 2kly h LYS 156 N 0.51 1.02 -0.60 0.00 1.57 -1.05 -0.55 116.57 117.47 2kly h LYS 156 Ca 0.14 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 2kly h LYS 156 Cb 0.09 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 2kly h LYS 156 CO -0.02 0.86 0.16 -0.56 -0.57 0.00 0.00 179.45 179.33 2kly h GLN 157 N 0.99 0.96 -0.63 3.15 3.07 -1.09 -2.34 115.11 119.22 2kly h GLN 157 Ca 0.22 -0.22 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 2kly h GLN 157 Cb 0.25 -0.13 -0.03 0.00 0.08 0.00 0.00 27.48 27.65 2kly h GLN 157 CO -0.01 0.87 0.35 0.82 0.09 0.00 0.00 178.83 180.94 2kly h ILE 158 N 0.87 1.20 0.25 1.86 1.08 -0.78 -2.20 117.51 119.79 2kly h ILE 158 Ca 0.19 -0.49 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 2kly h ILE 158 Cb 0.33 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 2kly h ILE 158 CO -0.00 0.22 -0.46 0.58 -0.69 0.00 0.00 178.15 177.79 2kly h VAL 159 N 0.86 0.00 0.00 1.67 2.07 -0.60 0.17 116.25 120.42 2kly h VAL 159 Ca 0.22 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.66 2kly h VAL 159 Cb 0.03 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 2kly h VAL 159 CO -0.04 0.00 -0.39 0.06 0.02 0.00 0.00 177.57 177.22 2kly h GLN 160 N -0.76 0.00 -0.40 1.57 3.07 -1.47 -0.02 115.11 117.10 2kly h GLN 160 Ca -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.57 2kly h GLN 160 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.27 2kly h GLN 160 CO -0.17 0.39 -0.29 0.87 0.09 0.00 0.00 178.83 179.72 2kly h LYS 161 N 0.00 0.90 0.00 0.06 1.57 -1.10 -0.35 116.57 117.65 2kly h LYS 161 Ca -0.00 -0.44 -0.05 0.00 -1.87 0.00 0.00 60.65 58.29 2kly h LYS 161 Cb 0.75 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 2kly h LYS 161 CO 0.05 1.09 -0.26 0.77 -0.57 0.00 0.00 179.45 180.53 2kly h SER 162 N 0.72 0.00 1.27 0.86 0.02 -0.21 -3.15 113.55 113.06 2kly h SER 162 Ca 0.08 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 2kly h SER 162 Cb 0.87 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 2kly h SER 162 CO 0.08 0.26 -0.76 -0.07 -1.14 0.00 0.00 176.83 175.20 2kly h LEU 163 N 0.00 0.00 -2.37 5.07 3.38 -0.57 -3.45 115.31 117.37 2kly h LEU 163 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kly h LEU 163 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2kly h LEU 163 CO 0.03 0.31 -0.64 0.61 0.09 0.00 0.00 178.44 178.84 2kly n GLY 164 N 1.23 -3.00 0.00 0.83 0.00 -0.18 -5.06 105.19 99.01 2kly n GLY 164 Ca -0.01 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.56 2kly n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36