#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kly h ALA 2 N 0.00 1.07 -0.19 3.04 0.00 -1.97 -2.74 119.26 118.46 2kly h ALA 2 Ca 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2kly h ALA 2 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2kly h ALA 2 CO 0.00 0.26 -0.37 0.78 0.00 0.00 0.00 179.25 179.92 2kly h GLY 3 N 1.82 0.46 1.71 0.00 0.00 -1.97 0.34 103.07 105.43 2kly h GLY 3 Ca -0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.81 2kly h GLY 3 CO 0.03 0.39 -0.28 -0.84 0.00 0.00 0.00 176.54 175.84 2kly h THR 4 N 0.35 1.26 -0.01 4.70 2.02 -1.81 0.80 112.91 120.23 2kly h THR 4 Ca 0.04 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 65.97 2kly h THR 4 Cb 0.82 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.66 2kly h THR 4 CO 0.07 0.38 -0.00 0.00 0.37 0.00 0.00 175.52 176.34 2kly h ALA 5 N 1.42 0.01 -0.04 6.16 0.00 -1.13 -1.23 119.26 124.45 2kly h ALA 5 Ca 0.04 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2kly h ALA 5 Cb 0.65 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 2kly h ALA 5 CO 0.05 -0.27 -0.17 1.25 0.00 0.00 0.00 179.25 180.10 2kly h LEU 6 N -0.41 -0.50 -1.30 0.00 7.12 -0.21 0.16 115.31 120.17 2kly h LEU 6 Ca 0.00 0.08 -0.01 0.00 0.13 0.00 0.00 57.88 58.08 2kly h LEU 6 Cb 0.43 0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 40.75 2kly h LEU 6 CO 0.00 -0.23 0.34 0.07 -0.13 0.00 0.00 178.44 178.50 2kly h LYS 7 N -0.26 0.82 -0.21 1.25 2.10 -0.87 0.14 116.57 119.54 2kly h LYS 7 Ca 0.07 -0.08 -0.07 0.00 -2.00 0.00 0.00 60.65 58.57 2kly h LYS 7 Cb 0.35 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2kly h LYS 7 CO -0.19 0.59 -0.15 -0.09 -2.00 0.00 0.00 179.45 177.61 2kly h ARG 8 N 0.83 0.47 0.00 0.07 9.65 -0.56 -1.43 114.38 123.41 2kly h ARG 8 Ca 0.22 -0.23 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 2kly h ARG 8 Cb -0.00 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 2kly h ARG 8 CO -0.04 0.79 -0.19 -0.07 2.80 0.00 0.00 179.97 183.26 2kly h LEU 9 N 0.16 0.00 -0.29 3.80 3.38 -0.30 0.19 115.31 122.24 2kly h LEU 9 Ca 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 2kly h LEU 9 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2kly h LEU 9 CO 0.04 0.19 -0.61 0.24 0.09 0.00 0.00 178.44 178.39 2kly h MET 10 N 0.00 0.81 -0.18 1.13 2.86 -0.50 0.60 114.93 119.65 2kly h MET 10 Ca -0.00 -0.55 -0.02 0.00 -2.06 0.00 0.00 59.70 57.07 2kly h MET 10 Cb 0.44 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2kly h MET 10 CO 0.02 1.18 0.05 0.00 1.06 0.00 0.00 176.91 179.22 2kly h ALA 11 N 0.70 0.23 -0.60 6.32 0.00 -0.36 0.88 119.26 126.43 2kly h ALA 11 Ca -0.00 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.89 2kly h ALA 11 Cb 1.22 -0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 2kly h ALA 11 CO 0.13 -0.13 0.04 0.93 0.00 0.00 0.00 179.25 180.22 2kly h GLU 12 N 0.10 0.15 0.18 0.00 4.39 -0.64 -1.17 114.58 117.60 2kly h GLU 12 Ca 0.06 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 2kly h GLU 12 Cb 0.25 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2kly h GLU 12 CO -0.00 0.10 -0.28 -0.92 -1.16 0.00 0.00 179.01 176.75 2kly h TYR 13 N 0.16 -0.80 -0.50 4.33 3.20 -0.55 -0.80 116.97 122.01 2kly h TYR 13 Ca 0.31 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.29 2kly h TYR 13 Cb 0.50 0.32 -0.10 0.00 1.54 0.00 0.00 36.73 38.99 2kly h TYR 13 CO -0.32 -0.35 -0.36 0.87 -1.64 0.00 0.00 178.16 176.36 2kly h LYS 14 N -0.49 -0.22 -0.26 1.82 1.57 -0.44 0.11 116.57 118.66 2kly h LYS 14 Ca -0.02 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.65 2kly h LYS 14 Cb 0.45 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2kly h LYS 14 CO -0.09 -0.14 -0.34 1.96 -0.57 0.00 0.00 179.45 180.27 2kly h GLN 15 N -0.22 0.56 -0.71 3.15 7.50 -1.20 0.12 115.11 124.30 2kly h GLN 15 Ca 0.19 -0.26 0.01 0.00 0.50 0.00 0.00 58.65 59.10 2kly h GLN 15 Cb 0.55 -0.01 -0.04 0.00 0.05 0.00 0.00 27.48 28.04 2kly h GLN 15 CO -0.62 0.83 0.47 -0.07 -1.50 0.00 0.00 178.83 177.94 2kly h LEU 16 N 0.47 0.80 0.16 1.46 3.38 -0.49 0.72 115.31 121.81 2kly h LEU 16 Ca 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2kly h LEU 16 Cb 0.82 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2kly h LEU 16 CO 0.07 0.57 -0.08 0.74 0.09 0.00 0.00 178.44 179.83 2kly h THR 17 N 0.94 0.93 -0.07 0.22 2.02 0.03 -3.36 112.91 113.61 2kly h THR 17 Ca 0.27 -1.02 -0.23 0.00 0.77 0.00 0.00 66.41 66.20 2kly h THR 17 Cb -0.06 1.49 0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2kly h THR 17 CO -0.06 0.21 -0.84 -0.07 0.37 0.00 0.00 175.52 175.13 2kly h LEU 18 N -0.76 0.86 -7.30 2.58 -0.00 -0.67 -3.41 115.31 106.60 2kly h LEU 18 Ca -0.02 -0.69 -0.63 0.00 -0.00 0.00 0.00 57.88 56.54 2kly h LEU 18 Cb 0.52 -0.26 -0.40 0.00 -0.00 0.00 0.00 40.66 40.52 2kly h LEU 18 CO 0.04 1.42 -0.69 0.20 -0.00 0.00 0.00 178.44 179.41 2kly s ASN 19 N -7.10 4.17 -0.03 -0.43 0.02 0.25 -5.07 114.94 106.75 2kly s ASN 19 Ca -0.11 -2.63 -0.30 0.00 -1.02 0.00 0.00 52.86 48.81 2kly s ASN 19 Cb 0.07 -1.39 -0.03 0.00 0.02 0.00 0.00 41.25 39.92 2kly s ASN 19 CO 0.90 -0.28 0.98 -2.16 0.02 0.00 0.00 177.10 176.55 2kly s PRO 20 N 0.28 4.52 0.00 -0.60 0.04 -1.26 -4.32 135.00 133.66 2kly s PRO 20 Ca 0.15 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2kly s PRO 20 Cb -0.24 -3.48 0.00 0.00 0.04 0.00 0.00 34.50 30.82 2kly s PRO 20 CO -0.03 -0.11 0.00 -0.35 0.04 0.00 0.00 177.00 176.55 2kly n PRO 21 N 4.16 0.00 -3.39 0.56 -0.04 -1.26 -5.04 135.00 129.99 2kly n PRO 21 Ca 0.06 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.54 2kly n PRO 21 Cb 0.50 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.37 -0.69 0.54 -1.05 -1.26 -4.94 118.70 111.67 2kly s GLU 22 Ca 0.00 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 55.68 2kly s GLU 22 Cb 0.00 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 2kly s GLU 22 CO 0.00 -0.19 0.00 0.41 0.95 0.00 0.00 175.26 176.43 2kly n GLY 23 N 5.19 0.68 3.15 -3.83 0.00 -1.26 -4.97 105.19 104.14 2kly n GLY 23 Ca -0.08 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.28 2.05 -0.12 -0.61 -1.09 -1.26 -2.11 121.20 115.78 2kly s ILE 24 Ca 0.00 -0.96 0.02 0.00 -2.23 0.00 0.00 60.65 57.48 2kly s ILE 24 Cb 0.00 -1.83 0.02 0.00 -1.58 0.00 0.00 42.46 39.07 2kly s ILE 24 CO 0.00 0.54 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.41 2kly s VAL 25 N 0.99 1.54 -0.19 2.92 1.01 -0.93 -4.89 120.40 120.85 2kly s VAL 25 Ca -0.03 -0.66 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 2kly s VAL 25 Cb -0.15 -1.41 0.05 0.00 0.00 0.00 0.00 36.38 34.87 2kly s VAL 25 CO -0.06 0.45 0.48 0.00 0.00 0.00 0.00 175.10 175.97 2kly s ALA 26 N 1.06 -1.21 -0.00 5.51 0.00 -1.26 0.34 121.76 126.20 2kly s ALA 26 Ca -0.05 1.48 -0.12 0.00 0.00 0.00 0.00 51.96 53.27 2kly s ALA 26 Cb -0.15 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.12 2kly s ALA 26 CO -0.03 -0.25 0.26 0.20 0.00 0.00 0.00 175.76 175.94 2kly s GLY 27 N 0.61 -0.09 0.33 0.00 0.00 -0.37 -4.98 107.32 102.82 2kly s GLY 27 Ca -0.03 0.16 -0.29 0.00 0.00 0.00 0.00 44.72 44.56 2kly s GLY 27 CO -0.04 -0.03 1.31 -4.14 0.00 0.00 0.00 173.10 170.20 2kly s PRO 28 N -1.43 4.36 -0.87 2.90 0.02 -1.26 -0.64 135.00 138.07 2kly s PRO 28 Ca -0.13 2.21 -0.25 0.00 0.02 0.00 0.00 61.00 62.85 2kly s PRO 28 Cb -0.06 -3.07 0.03 0.00 0.02 0.00 0.00 34.50 31.42 2kly s PRO 28 CO 0.03 -0.19 1.48 1.41 -0.33 0.00 0.00 177.00 179.40 2kly s MET 29 N -1.75 3.24 0.02 5.54 1.75 0.11 -4.43 119.30 123.78 2kly s MET 29 Ca 0.49 -0.55 0.00 0.00 -1.25 0.00 0.00 55.69 54.38 2kly s MET 29 Cb -0.40 -4.81 0.00 0.00 2.84 0.00 0.00 34.83 32.47 2kly s MET 29 CO 0.53 -2.36 0.00 -1.71 -0.65 0.00 0.00 175.02 170.82 2kly n ASN 30 N 9.98 -3.67 0.00 1.11 5.15 -1.26 -4.54 115.26 122.02 2kly n ASN 30 Ca 0.22 0.39 0.03 0.00 -0.60 0.00 0.00 54.58 54.61 2kly n ASN 30 Cb 0.50 -1.94 0.16 0.00 -0.53 0.00 0.00 39.78 37.97 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 0.42 0.18 -0.06 1.20 1.02 -1.26 -1.47 120.64 120.67 2kly n GLU 31 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 2kly n GLU 31 Cb 0.00 -1.45 -0.05 0.00 -0.02 0.00 0.00 31.44 29.92 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 -5.09 3.49 5.08 -1.95 -3.44 114.58 112.67 2kly h GLU 32 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 2kly h GLU 32 Cb 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 2kly h GLU 32 CO 0.00 0.38 -0.05 1.21 -1.00 0.00 0.00 179.01 179.55 2kly s ASN 33 N -5.86 6.25 0.00 1.42 2.47 -0.54 -4.92 114.94 113.75 2kly s ASN 33 Ca -0.09 -0.57 0.22 0.00 0.42 0.00 0.00 52.86 52.84 2kly s ASN 33 Cb -0.00 -2.27 0.63 0.00 -1.45 0.00 0.00 41.25 38.15 2kly s ASN 33 CO 0.28 -0.69 1.49 0.49 -3.72 0.00 0.00 177.10 174.95 2kly n PHE 34 N 5.91 0.27 0.12 0.43 3.01 -1.26 -4.26 117.46 121.69 2kly n PHE 34 Ca -0.05 -0.14 0.04 0.00 1.01 0.00 0.00 57.45 58.32 2kly n PHE 34 Cb 0.47 0.00 0.21 0.00 -0.01 0.00 0.00 39.48 40.16 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 0.75 1.02 -3.65 1.38 3.01 -1.26 -4.74 117.46 113.97 2kly n PHE 35 Ca 0.17 -0.37 -0.07 0.00 1.01 0.00 0.00 57.45 58.19 2kly n PHE 35 Cb 0.43 -0.25 -0.07 0.00 -0.01 0.00 0.00 39.48 39.58 2kly n PHE 35 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 2kly s GLU 36 N -1.86 0.64 0.14 -1.08 -1.05 -1.26 -0.26 118.70 113.98 2kly s GLU 36 Ca 0.30 1.18 0.07 0.00 -0.15 0.00 0.00 54.97 56.37 2kly s GLU 36 Cb 0.21 0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 34.04 2kly s GLU 36 CO 0.11 -0.16 -0.16 -1.58 0.95 0.00 0.00 175.26 174.42 2kly s TRP 37 N 1.73 1.62 -0.06 4.83 0.52 0.11 -0.71 118.94 126.99 2kly s TRP 37 Ca -0.09 -0.51 0.03 0.00 0.02 0.00 0.00 56.10 55.55 2kly s TRP 37 Cb -0.06 -0.83 -0.03 0.00 -1.15 0.00 0.00 33.47 31.40 2kly s TRP 37 CO -0.19 0.23 -0.13 -2.00 0.02 0.00 0.00 176.95 174.89 2kly s GLU 38 N -2.69 2.58 0.02 4.98 -6.30 0.18 -0.32 118.70 117.16 2kly s GLU 38 Ca 0.12 -0.66 0.01 0.00 -2.50 0.00 0.00 54.97 51.93 2kly s GLU 38 Cb -0.06 -2.43 -0.01 0.00 0.00 0.00 0.00 34.13 31.63 2kly s GLU 38 CO 0.05 0.62 -0.04 0.00 0.02 0.00 0.00 175.26 175.91 2kly s ALA 39 N -0.72 0.24 -0.17 6.30 0.00 0.46 -1.24 121.76 126.63 2kly s ALA 39 Ca 0.11 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.56 2kly s ALA 39 Cb -0.11 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2kly s ALA 39 CO 0.01 -0.06 -0.03 -0.51 0.00 0.00 0.00 175.76 175.17 2kly s LEU 40 N -1.03 3.22 -0.39 0.00 1.02 0.15 0.03 118.68 121.69 2kly s LEU 40 Ca -0.09 -0.17 -0.10 0.00 0.02 0.00 0.00 54.13 53.78 2kly s LEU 40 Cb -0.07 -1.79 0.04 0.00 0.02 0.00 0.00 46.19 44.39 2kly s LEU 40 CO -0.00 0.12 0.22 -0.63 0.02 0.00 0.00 176.35 176.07 2kly s ILE 41 N 0.65 4.41 -0.17 -0.59 -1.09 0.80 -2.20 121.20 123.01 2kly s ILE 41 Ca -0.02 -1.05 -0.21 0.00 -2.23 0.00 0.00 60.65 57.15 2kly s ILE 41 Cb -0.14 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 2kly s ILE 41 CO 0.02 -0.32 0.61 -0.04 -1.23 0.00 0.00 174.94 173.99 2kly s MET 42 N 1.50 4.25 -0.31 2.79 -1.94 -0.90 -0.60 119.30 124.09 2kly s MET 42 Ca 0.02 0.61 -0.29 0.00 -1.71 0.00 0.00 55.69 54.32 2kly s MET 42 Cb -0.20 -3.55 -0.12 0.00 2.01 0.00 0.00 34.83 32.97 2kly s MET 42 CO 0.05 -0.16 1.15 0.41 -0.01 0.00 0.00 175.02 176.46 2kly n GLY 43 N 3.67 0.03 3.49 -0.03 0.00 0.57 -4.86 105.19 108.05 2kly n GLY 43 Ca -0.02 0.66 -0.33 0.00 0.00 0.00 0.00 46.02 46.33 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 3.44 -0.29 -2.21 1.61 -0.02 -1.26 -4.34 135.00 131.92 2kly n PRO 44 Ca 0.26 -0.03 -0.31 0.00 -2.02 0.00 0.00 63.50 61.40 2kly n PRO 44 Cb -0.03 -2.00 -0.01 0.00 -0.02 0.00 0.00 33.50 31.44 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 -3.85 3.71 -1.31 -0.52 2.02 -1.26 -3.79 118.70 113.70 2kly s GLU 45 Ca 0.60 0.71 -0.10 0.00 0.02 0.00 0.00 54.97 56.21 2kly s GLU 45 Cb -0.22 -2.16 0.07 0.00 0.10 0.00 0.00 34.13 31.92 2kly s GLU 45 CO 0.64 -0.39 0.51 -3.47 0.02 0.00 0.00 175.26 172.57 2kly n ASP 46 N -2.21 -3.76 -4.42 -0.19 2.03 -1.26 -4.91 116.55 101.83 2kly n ASP 46 Ca 0.05 -0.41 -0.23 0.00 0.52 0.00 0.00 54.79 54.72 2kly n ASP 46 Cb 0.54 -3.11 -0.10 0.00 -0.72 0.00 0.00 41.12 37.73 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 -2.95 1.12 -1.98 5.18 -4.23 -1.25 -4.97 115.64 106.56 2kly s THR 47 Ca 0.41 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.14 2kly s THR 47 Cb -0.22 -2.69 0.64 0.00 1.34 0.00 0.00 72.50 71.56 2kly s THR 47 CO 0.51 0.00 1.53 0.00 -0.54 0.00 0.00 174.62 176.12 2kly n PHE 49 N 1.60 0.27 -1.62 0.00 3.72 -1.26 -3.88 117.46 116.28 2kly n PHE 49 Ca 0.24 -0.20 -0.33 0.00 -0.05 0.00 0.00 57.45 57.12 2kly n PHE 49 Cb 0.61 -0.01 0.06 0.00 -0.94 0.00 0.00 39.48 39.21 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 -1.21 2.64 0.00 -1.08 -1.05 -1.25 -2.60 118.70 114.15 2kly s GLU 50 Ca 0.25 1.34 0.00 0.00 -0.15 0.00 0.00 54.97 56.41 2kly s GLU 50 Cb 0.15 -1.93 0.00 0.00 -0.44 0.00 0.00 34.13 31.91 2kly s GLU 50 CO 0.21 -1.37 0.00 1.19 0.95 0.00 0.00 175.26 176.25 2kly n PHE 51 N -2.71 0.00 -2.54 4.83 3.72 -1.26 -4.88 117.46 114.63 2kly n PHE 51 Ca 0.10 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.16 2kly n PHE 51 Cb 0.52 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 39.02 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 -0.95 2.56 -0.39 1.37 0.00 -1.07 -4.82 107.32 104.03 2kly s GLY 52 Ca 0.00 0.64 0.02 0.00 0.00 0.00 0.00 44.72 45.37 2kly s GLY 52 CO 0.00 0.98 0.15 0.14 0.00 0.00 0.00 173.10 174.37 2kly s VAL 53 N -1.90 1.64 -0.43 1.40 1.01 -1.26 -0.32 120.40 120.53 2kly s VAL 53 Ca 0.65 -2.27 -0.16 0.00 0.00 0.00 0.00 61.98 60.20 2kly s VAL 53 Cb -0.18 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.05 2kly s VAL 53 CO 0.22 -0.74 0.39 -0.36 0.00 0.00 0.00 175.10 174.60 2kly s PHE 54 N 0.77 3.20 0.27 5.22 0.08 0.23 -4.65 117.98 123.10 2kly s PHE 54 Ca 0.14 -0.56 -0.29 0.00 0.12 0.00 0.00 56.93 56.34 2kly s PHE 54 Cb -0.21 -2.86 -0.09 0.00 -0.57 0.00 0.00 43.02 39.29 2kly s PHE 54 CO -0.09 -0.69 0.96 -1.25 -0.10 0.00 0.00 175.22 174.04 2kly s PRO 55 N 1.91 4.75 0.15 0.24 0.04 -1.26 -0.14 135.00 140.68 2kly s PRO 55 Ca 0.08 1.46 -0.08 0.00 0.04 0.00 0.00 61.00 62.51 2kly s PRO 55 Cb -0.19 -3.11 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 2kly s PRO 55 CO 0.11 0.41 0.24 0.00 0.04 0.00 0.00 177.00 177.80 2kly s ALA 56 N -1.32 0.09 -0.03 8.56 0.00 0.10 -1.21 121.76 127.95 2kly s ALA 56 Ca 0.44 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.52 2kly s ALA 56 Cb -0.24 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.68 2kly s ALA 56 CO 0.30 -0.61 -0.16 0.42 0.00 0.00 0.00 175.76 175.72 2kly s ILE 57 N -3.96 1.31 -0.20 0.00 1.01 0.55 -0.40 121.20 119.51 2kly s ILE 57 Ca 0.16 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2kly s ILE 57 Cb 0.04 -1.12 0.02 0.00 0.01 0.00 0.00 42.46 41.41 2kly s ILE 57 CO -0.01 0.38 -0.15 -0.76 0.00 0.00 0.00 174.94 174.39 2kly s LEU 58 N -0.06 2.48 -0.19 2.97 1.02 0.56 -1.86 118.68 123.59 2kly s LEU 58 Ca -0.01 -0.71 -0.07 0.00 0.02 0.00 0.00 54.13 53.36 2kly s LEU 58 Cb -0.10 -1.54 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 2kly s LEU 58 CO 0.01 -0.03 0.06 -0.44 0.02 0.00 0.00 176.35 175.97 2kly s SER 59 N 1.30 5.50 -0.13 2.29 0.01 0.11 -0.71 113.70 122.07 2kly s SER 59 Ca 0.03 0.02 -0.05 0.00 1.31 0.00 0.00 55.95 57.26 2kly s SER 59 Cb -0.14 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 2kly s SER 59 CO -0.10 0.14 0.05 -0.36 0.41 0.00 0.00 173.24 173.38 2kly s PHE 60 N 0.58 3.26 0.00 2.43 0.08 0.65 -0.15 117.98 124.83 2kly s PHE 60 Ca 0.03 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.26 2kly s PHE 60 Cb -0.13 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 2kly s PHE 60 CO 0.01 0.37 0.53 -0.35 -0.10 0.00 0.00 175.22 175.69 2kly n PRO 61 N 2.70 0.00 0.00 0.24 -0.04 -1.26 -4.84 135.00 131.81 2kly n PRO 61 Ca -0.18 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2kly n PRO 61 Cb 0.53 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 2kly n PRO 61 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2kly n LEU 62 N -1.90 0.00 -1.00 1.53 0.00 -1.26 -5.00 117.00 109.37 2kly n LEU 62 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 2kly n LEU 62 Cb 0.00 0.01 0.20 0.00 0.00 0.00 0.00 43.42 43.63 2kly n LEU 62 CO 0.00 -0.01 0.60 0.47 0.00 0.00 0.00 177.39 178.45 2kly n ASP 63 N -1.19 2.26 -4.71 1.96 9.92 -1.26 -3.99 116.55 119.54 2kly n ASP 63 Ca 0.00 -3.80 -0.43 0.00 -0.53 0.00 0.00 54.79 50.02 2kly n ASP 63 Cb 0.00 -0.60 -0.03 0.00 -0.64 0.00 0.00 41.12 39.85 2kly n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kly n TYR 64 N -1.12 2.60 -3.26 1.24 9.36 -1.26 -1.20 117.16 123.51 2kly n TYR 64 Ca 0.29 0.23 -0.46 0.00 3.32 0.00 0.00 57.90 61.28 2kly n TYR 64 Cb 0.93 -2.58 -0.03 0.00 -0.63 0.00 0.00 39.34 37.04 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 0.21 3.50 0.00 2.98 0.04 -1.26 -2.54 135.00 137.92 2kly s PRO 65 Ca 0.70 -2.22 0.00 0.00 0.04 0.00 0.00 61.00 59.53 2kly s PRO 65 Cb -0.56 -4.47 0.00 0.00 0.04 0.00 0.00 34.50 29.51 2kly s PRO 65 CO 0.42 -1.37 0.00 1.47 0.04 0.00 0.00 177.00 177.56 2kly n LEU 66 N 4.60 0.00 -4.63 -3.56 -0.00 -0.34 -4.44 117.00 108.63 2kly n LEU 66 Ca 0.11 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.77 2kly n LEU 66 Cb 0.46 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.78 2kly n LEU 66 CO 0.39 0.00 -0.24 -0.94 -0.00 0.00 0.00 177.39 176.60 2kly s SER 67 N -0.59 5.66 0.07 1.45 1.04 -1.11 -4.93 113.70 115.30 2kly s SER 67 Ca 0.00 0.08 -0.31 0.00 0.48 0.00 0.00 55.95 56.20 2kly s SER 67 Cb 0.00 -1.98 -0.09 0.00 0.10 0.00 0.00 66.02 64.06 2kly s SER 67 CO 0.00 0.16 1.71 -2.84 0.98 0.00 0.00 173.24 173.25 2kly s PRO 68 N 0.45 4.18 0.88 4.02 0.02 -1.26 -4.37 135.00 138.92 2kly s PRO 68 Ca 0.04 2.39 -0.12 0.00 0.02 0.00 0.00 61.00 63.33 2kly s PRO 68 Cb -0.12 -3.66 0.12 0.00 0.02 0.00 0.00 34.50 30.86 2kly s PRO 68 CO 0.00 -0.78 1.13 -1.25 -0.33 0.00 0.00 177.00 175.78 2kly s PRO 69 N 2.87 1.38 0.02 5.54 0.04 -1.26 -4.72 135.00 138.86 2kly s PRO 69 Ca 0.76 0.34 0.02 0.00 0.04 0.00 0.00 61.00 62.17 2kly s PRO 69 Cb -0.41 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 2kly s PRO 69 CO 0.33 -2.05 -0.02 0.21 0.04 0.00 0.00 177.00 175.52 2kly s LYS 70 N -5.27 2.69 -0.13 4.56 2.20 0.78 -4.95 119.74 119.62 2kly s LYS 70 Ca 0.63 -0.68 -0.08 0.00 -0.36 0.00 0.00 55.97 55.48 2kly s LYS 70 Cb -0.14 -2.61 0.05 0.00 -1.51 0.00 0.00 37.83 33.62 2kly s LYS 70 CO 0.53 0.60 0.33 1.41 -0.36 0.00 0.00 175.35 177.86 2kly s MET 71 N -1.66 0.32 -0.01 4.03 1.75 -1.26 0.04 119.30 122.51 2kly s MET 71 Ca 0.20 0.61 -0.11 0.00 -1.25 0.00 0.00 55.69 55.14 2kly s MET 71 Cb -0.11 -0.02 0.01 0.00 2.84 0.00 0.00 34.83 37.55 2kly s MET 71 CO 0.11 -0.13 0.23 -0.98 -0.65 0.00 0.00 175.02 173.59 2kly s ARG 72 N 1.07 0.57 0.15 4.11 1.70 -0.78 -0.84 118.95 124.94 2kly s ARG 72 Ca -0.07 -0.27 -0.18 0.00 -0.47 0.00 0.00 55.73 54.74 2kly s ARG 72 Cb -0.08 0.25 -0.07 0.00 -0.57 0.00 0.00 34.95 34.48 2kly s ARG 72 CO -0.08 -0.15 0.62 -0.06 -1.08 0.00 0.00 175.30 174.55 2kly s PHE 73 N -1.31 3.68 0.00 5.89 0.08 -1.10 -0.33 117.98 124.89 2kly s PHE 73 Ca -0.14 1.24 0.02 0.00 0.12 0.00 0.00 56.93 58.17 2kly s PHE 73 Cb -0.06 -2.50 -0.25 0.00 -0.57 0.00 0.00 43.02 39.64 2kly s PHE 73 CO 0.03 0.44 0.85 1.79 -0.10 0.00 0.00 175.22 178.23 2kly h THR 74 N 2.98 1.13 -3.38 0.64 1.35 -1.51 -3.43 112.91 110.69 2kly h THR 74 Ca -0.49 -2.84 -0.55 0.00 -0.55 0.00 0.00 66.41 61.99 2kly h THR 74 Cb 1.20 2.68 -0.03 0.00 -1.73 0.00 0.00 68.15 70.26 2kly h THR 74 CO 0.65 0.77 -0.12 0.00 -0.25 0.00 0.00 175.52 176.57 2kly s GLU 76 N -2.52 3.13 0.24 0.00 -1.05 -1.26 -4.93 118.70 112.31 2kly s GLU 76 Ca 0.44 -0.01 -0.08 0.00 -0.15 0.00 0.00 54.97 55.17 2kly s GLU 76 Cb -0.12 -2.34 -0.02 0.00 -0.44 0.00 0.00 34.13 31.21 2kly s GLU 76 CO 0.20 -0.49 0.35 0.00 0.95 0.00 0.00 175.26 176.28 2kly s MET 77 N -4.86 1.45 -0.71 -4.83 0.23 -1.26 -4.89 119.30 104.44 2kly s MET 77 Ca 0.51 -1.43 0.01 0.00 -1.03 0.00 0.00 55.69 53.75 2kly s MET 77 Cb -0.10 0.40 0.18 0.00 -1.53 0.00 0.00 34.83 33.77 2kly s MET 77 CO 0.44 -0.56 0.52 0.12 -2.03 0.00 0.00 175.02 173.51 2kly s PHE 78 N -4.00 3.56 -0.03 3.16 5.36 -1.26 -5.03 117.98 119.74 2kly s PHE 78 Ca 0.29 -3.08 -0.01 0.00 -0.96 0.00 0.00 56.93 53.18 2kly s PHE 78 Cb 0.02 -3.00 0.03 0.00 -0.34 0.00 0.00 43.02 39.73 2kly s PHE 78 CO 0.11 -0.70 0.05 -1.58 -1.46 0.00 0.00 175.22 171.63 2kly s HIS 79 N -0.90 -0.01 0.56 10.12 2.46 -1.26 -4.90 115.29 121.37 2kly s HIS 79 Ca 0.22 0.17 0.26 0.00 0.47 0.00 0.00 55.06 56.19 2kly s HIS 79 Cb -0.13 -0.19 1.50 0.00 -0.13 0.00 0.00 32.58 33.64 2kly s HIS 79 CO -0.09 -0.09 2.04 -1.00 -2.47 0.00 0.00 174.74 173.12 2kly h PRO 80 N 7.15 0.00 -0.00 2.88 0.13 -1.79 0.25 132.00 140.61 2kly h PRO 80 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kly h PRO 80 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2kly h PRO 80 CO 0.47 0.00 -0.12 -1.71 -0.23 0.00 0.00 178.00 176.42 2kly n ASN 81 N -4.06 0.30 -4.66 1.44 2.85 -1.26 -1.10 115.26 108.77 2kly n ASN 81 Ca 0.05 -0.25 -0.37 0.00 -0.11 0.00 0.00 54.58 53.90 2kly n ASN 81 Cb 0.46 -0.15 -0.09 0.00 1.24 0.00 0.00 39.78 41.24 2kly n ASN 81 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2kly s ILE 82 N -2.66 5.30 0.71 -1.44 -1.09 0.88 -0.62 121.20 122.28 2kly s ILE 82 Ca 0.24 0.37 -0.15 0.00 -2.23 0.00 0.00 60.65 58.88 2kly s ILE 82 Cb 0.20 -3.58 0.03 0.00 -1.58 0.00 0.00 42.46 37.52 2kly s ILE 82 CO 0.51 0.31 1.18 -0.31 -1.23 0.00 0.00 174.94 175.40 2kly s TYR 83 N 1.17 2.20 0.31 3.97 2.02 0.66 -3.36 117.35 124.32 2kly s TYR 83 Ca 0.12 1.59 0.38 0.00 -0.37 0.00 0.00 57.07 58.78 2kly s TYR 83 Cb -0.14 -3.39 1.85 0.00 -0.40 0.00 0.00 41.96 39.88 2kly s TYR 83 CO 0.06 -2.36 2.13 -1.35 -1.57 0.00 0.00 175.55 172.46 2kly h PRO 84 N -0.23 0.00 -0.00 -1.71 0.11 -1.88 0.21 132.00 128.49 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 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2kly h PRO 84 CO 0.51 0.00 -0.00 -3.47 -0.21 0.00 0.00 178.00 174.83 2kly n ASP 85 N -2.96 0.13 0.00 -2.05 2.03 -1.26 -4.89 116.55 107.55 2kly n ASP 85 Ca -0.01 -0.99 0.00 0.00 0.52 0.00 0.00 54.79 54.31 2kly n ASP 85 Cb 0.16 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 2kly n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kly n GLY 86 N 1.03 2.75 3.73 0.27 0.00 0.73 -4.96 105.19 108.74 2kly n GLY 86 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 2.42 -2.90 1.61 0.63 -1.25 -2.71 116.66 112.46 2kly n ARG 87 Ca 0.00 0.85 -0.42 0.00 -0.92 0.00 0.00 57.85 57.37 2kly n ARG 87 Cb 0.00 -2.53 -0.04 0.00 0.45 0.00 0.00 32.46 30.33 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 -0.79 4.84 0.07 5.15 1.01 -0.02 -0.24 120.40 130.42 2kly s VAL 88 Ca 0.57 1.56 -0.13 0.00 0.00 0.00 0.00 61.98 63.99 2kly s VAL 88 Cb -0.53 -4.11 -0.25 0.00 0.00 0.00 0.00 36.38 31.49 2kly s VAL 88 CO 0.59 -0.07 1.17 0.00 0.00 0.00 0.00 175.10 176.79 2kly n ILE 90 N -3.81 0.00 0.48 0.00 -5.35 -1.26 -4.50 119.36 104.93 2kly n ILE 90 Ca -0.12 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 62.40 2kly n ILE 90 Cb 0.92 0.00 0.19 0.00 -1.74 0.00 0.00 39.64 39.01 2kly n ILE 90 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2kly n SER 91 N 0.49 0.00 0.06 7.28 3.41 -1.26 0.12 113.62 123.72 2kly n SER 91 Ca 0.00 -0.28 0.05 0.00 -0.26 0.00 0.00 58.87 58.38 2kly n SER 91 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2kly n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kly n ILE 92 N -0.91 0.92 1.62 -1.33 3.06 -1.26 -2.82 119.36 118.64 2kly n ILE 92 Ca 0.05 -0.63 0.10 0.00 -2.50 0.00 0.00 62.75 59.77 2kly n ILE 92 Cb 0.02 -0.55 0.46 0.00 0.54 0.00 0.00 39.64 40.12 2kly n ILE 92 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2kly n LEU 93 N -2.78 0.82 0.00 9.51 4.77 0.12 -2.16 117.00 127.28 2kly n LEU 93 Ca -0.06 -0.34 -0.28 0.00 -0.03 0.00 0.00 56.01 55.30 2kly n LEU 93 Cb 0.71 -0.05 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 2kly n LEU 93 CO 0.42 0.17 -0.21 1.41 -1.33 0.00 0.00 177.39 177.85 2kly n HIS 94 N -0.24 0.96 -3.78 -1.77 8.25 -1.13 -4.71 115.22 112.80 2kly n HIS 94 Ca 0.15 -2.21 -0.10 0.00 -0.26 0.00 0.00 57.72 55.31 2kly n HIS 94 Cb 0.19 -0.27 -0.05 0.00 1.12 0.00 0.00 29.99 30.99 2kly n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kly s ALA 95 N -2.78 -0.72 -0.44 -1.41 0.00 -1.26 -2.47 121.76 112.68 2kly s ALA 95 Ca 0.01 -0.36 -0.35 0.00 0.00 0.00 0.00 51.96 51.26 2kly s ALA 95 Cb 0.00 0.84 -0.13 0.00 0.00 0.00 0.00 23.12 23.83 2kly s ALA 95 CO 0.01 -0.75 2.25 -2.30 0.00 0.00 0.00 175.76 174.97 2kly n PRO 96 N -0.30 0.83 0.00 0.00 -0.02 -1.26 -2.04 135.00 132.21 2kly n PRO 96 Ca -0.10 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2kly n PRO 96 Cb 0.63 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2kly n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2kly n GLY 97 N 6.63 3.71 2.42 -1.23 0.00 -1.26 -4.96 105.19 110.50 2kly n GLY 97 Ca 0.45 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 7.26 -4.67 1.61 2.03 -0.86 -4.92 116.55 116.99 2kly n ASP 98 Ca 0.00 -3.58 -0.36 0.00 0.52 0.00 0.00 54.79 51.36 2kly n ASP 98 Cb 0.00 -1.05 -0.09 0.00 -0.72 0.00 0.00 41.12 39.26 2kly n ASP 98 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kly s ASP 99 N -0.95 6.17 -0.08 1.67 1.01 -1.26 -4.81 116.67 118.41 2kly s ASP 99 Ca 0.54 0.17 0.03 0.00 0.71 0.00 0.00 52.55 54.01 2kly s ASP 99 Cb 0.42 -2.12 0.21 0.00 1.01 0.00 0.00 42.92 42.45 2kly s ASP 99 CO -0.14 0.07 0.97 -0.81 0.21 0.00 0.00 175.17 175.47 2kly n PRO 100 N 4.16 1.83 0.00 8.23 -0.04 -1.26 -3.95 135.00 143.96 2kly n PRO 100 Ca -0.15 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.48 2kly n PRO 100 Cb 0.52 -1.58 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2kly n PRO 100 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2kly n MET 101 N 0.13 0.00 -1.73 0.54 2.81 -1.26 -4.61 117.12 113.00 2kly n MET 101 Ca 0.10 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.98 2kly n MET 101 Cb 0.60 -0.17 -0.00 0.00 -0.71 0.00 0.00 33.22 32.94 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 -0.16 0.37 0.00 3.03 0.00 -1.25 -5.06 105.19 102.11 2kly n GLY 102 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -3.69 -0.77 -1.66 1.61 4.11 -1.26 -4.88 117.16 110.61 2kly n TYR 103 Ca -0.01 0.00 -0.50 0.00 -0.00 0.00 0.00 57.90 57.39 2kly n TYR 103 Cb 0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.66 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 -0.19 1.94 0.09 -3.48 -0.58 -1.26 -4.84 120.64 112.32 2kly n GLU 104 Ca 0.00 0.70 0.13 0.00 -0.42 0.00 0.00 57.16 57.56 2kly n GLU 104 Cb 0.00 -2.58 0.31 0.00 -0.57 0.00 0.00 31.44 28.60 2kly n GLU 104 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2kly n SER 105 N 6.95 0.76 -1.70 1.62 2.88 -1.26 -3.22 113.62 119.66 2kly n SER 105 Ca 0.25 0.38 0.08 0.00 -1.33 0.00 0.00 58.87 58.26 2kly n SER 105 Cb 0.27 -0.40 0.37 0.00 -0.75 0.00 0.00 64.21 63.71 2kly n SER 105 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kly n SER 106 N -2.19 5.08 -1.89 -3.46 7.64 -1.26 -4.69 113.62 112.86 2kly n SER 106 Ca 0.05 -2.62 -0.07 0.00 1.01 0.00 0.00 58.87 57.24 2kly n SER 106 Cb 0.43 -0.62 -0.10 0.00 -1.01 0.00 0.00 64.21 62.91 2kly n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kly n ALA 107 N 0.94 5.06 -1.85 -0.43 0.00 -1.20 -4.79 120.51 118.24 2kly n ALA 107 Ca 0.26 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2kly n ALA 107 Cb 1.00 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2kly n ALA 107 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kly n GLU 108 N 2.22 -4.42 -4.66 0.00 -0.58 -1.26 -4.89 120.64 107.05 2kly n GLU 108 Ca 0.25 3.25 -0.30 0.00 -0.42 0.00 0.00 57.16 59.94 2kly n GLU 108 Cb 0.69 -3.56 -0.09 0.00 -0.57 0.00 0.00 31.44 27.91 2kly n GLU 108 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2kly s ARG 109 N -1.05 2.05 -0.18 3.49 3.00 -1.26 -4.20 118.95 120.80 2kly s ARG 109 Ca 0.00 -2.26 -0.33 0.00 0.00 0.00 0.00 55.73 53.14 2kly s ARG 109 Cb 0.00 -1.31 -0.10 0.00 0.00 0.00 0.00 34.95 33.54 2kly s ARG 109 CO 0.00 -0.31 2.05 1.87 0.00 0.00 0.00 175.30 178.91 2kly n TRP 110 N -1.09 2.07 -4.27 -0.53 -0.00 -0.92 -4.90 117.44 107.80 2kly n TRP 110 Ca -0.12 0.01 -0.19 0.00 -0.00 0.00 0.00 57.50 57.19 2kly n TRP 110 Cb 0.67 -2.66 -0.11 0.00 -0.00 0.00 0.00 31.31 29.21 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 6.00 2.20 0.31 5.87 0.01 -1.26 -5.03 113.70 121.81 2kly s SER 111 Ca 0.99 -0.82 0.20 0.00 1.31 0.00 0.00 55.95 57.63 2kly s SER 111 Cb -0.63 -0.10 1.08 0.00 0.21 0.00 0.00 66.02 66.59 2kly s SER 111 CO 0.46 -0.10 1.60 -2.65 0.41 0.00 0.00 173.24 172.96 2kly n PRO 112 N 0.51 0.13 -0.15 12.44 -0.02 -1.26 -1.16 135.00 145.49 2kly n PRO 112 Ca -0.15 0.63 0.06 0.00 -2.02 0.00 0.00 63.50 62.02 2kly n PRO 112 Cb 0.57 -1.96 0.20 0.00 -0.02 0.00 0.00 33.50 32.29 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 -2.21 0.38 -3.00 -1.45 3.14 -1.26 -4.88 118.33 109.05 2kly n VAL 113 Ca -0.01 -0.41 -0.28 0.00 -2.96 0.00 0.00 64.34 60.68 2kly n VAL 113 Cb 0.06 0.24 -0.02 0.00 -1.06 0.00 0.00 33.84 33.07 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 -1.62 3.60 0.27 1.45 -1.52 -0.31 -5.07 119.66 116.47 2kly s GLN 114 Ca 0.24 0.11 -0.01 0.00 -1.95 0.00 0.00 55.36 53.75 2kly s GLN 114 Cb 0.13 -2.50 -0.02 0.00 -0.22 0.00 0.00 33.01 30.39 2kly s GLN 114 CO 0.17 0.00 0.29 -1.12 -0.25 0.00 0.00 175.29 174.39 2kly s SER 115 N -3.65 0.65 0.26 5.90 0.01 -1.26 -5.01 113.70 110.60 2kly s SER 115 Ca 0.46 -1.43 -0.03 0.00 1.31 0.00 0.00 55.95 56.26 2kly s SER 115 Cb -0.10 0.51 0.32 0.00 0.21 0.00 0.00 66.02 66.96 2kly s SER 115 CO 0.37 -1.04 1.77 -0.37 0.41 0.00 0.00 173.24 174.38 2kly h VAL 116 N 2.34 1.24 -0.27 3.43 -1.51 -1.98 -0.62 116.25 118.88 2kly h VAL 116 Ca -0.30 -0.94 -0.12 0.00 -1.23 0.00 0.00 66.70 64.11 2kly h VAL 116 Cb 1.24 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.15 2kly h VAL 116 CO 0.43 0.34 -0.34 -0.08 -1.23 0.00 0.00 177.57 176.69 2kly h GLU 117 N 0.81 0.59 -0.30 5.19 4.81 -1.97 -0.78 114.58 122.94 2kly h GLU 117 Ca 0.17 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2kly h GLU 117 Cb 0.39 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2kly h GLU 117 CO 0.01 0.85 0.18 -0.22 -0.73 0.00 0.00 179.01 179.10 2kly h LYS 118 N 0.50 0.40 -0.13 1.92 1.63 -1.75 0.14 116.57 119.28 2kly h LYS 118 Ca 0.05 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2kly h LYS 118 Cb 0.83 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.37 2kly h LYS 118 CO 0.07 0.32 0.08 0.82 -3.45 0.00 0.00 179.45 177.29 2kly h ILE 119 N 0.38 1.07 0.00 2.00 2.04 -0.86 -1.13 117.51 121.00 2kly h ILE 119 Ca 0.11 -0.17 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 2kly h ILE 119 Cb 0.02 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2kly h ILE 119 CO -0.02 0.06 -0.46 -0.07 0.00 0.00 0.00 178.15 177.66 2kly h LEU 120 N 0.14 0.00 -0.84 1.44 4.07 -1.01 -0.58 115.31 118.53 2kly h LEU 120 Ca 0.05 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.90 2kly h LEU 120 Cb 0.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 2kly h LEU 120 CO -0.01 0.46 -0.33 -0.07 -1.08 0.00 0.00 178.44 177.41 2kly h LEU 121 N 0.00 0.49 -1.21 1.67 -0.00 -0.51 -0.68 115.31 115.07 2kly h LEU 121 Ca -0.00 -0.19 -0.08 0.00 -0.00 0.00 0.00 57.88 57.61 2kly h LEU 121 Cb 0.94 -0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 2kly h LEU 121 CO 0.06 0.79 -0.33 -1.28 -0.00 0.00 0.00 178.44 177.68 2kly h SER 122 N 0.41 0.11 -0.20 -0.43 0.87 -0.29 -0.71 113.55 113.30 2kly h SER 122 Ca 0.05 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 2kly h SER 122 Cb 0.78 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 2kly h SER 122 CO 0.06 0.44 -0.01 0.58 -0.53 0.00 0.00 176.83 177.37 2kly h VAL 123 N 0.10 1.27 -0.36 2.23 2.07 -0.49 -1.42 116.25 119.65 2kly h VAL 123 Ca 0.01 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 2kly h VAL 123 Cb 0.64 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2kly h VAL 123 CO 0.05 0.28 0.17 0.58 0.02 0.00 0.00 177.57 178.67 2kly h VAL 124 N 0.11 1.17 -0.47 2.57 2.07 -0.84 -2.41 116.25 118.44 2kly h VAL 124 Ca 0.05 -0.47 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 2kly h VAL 124 Cb 0.43 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2kly h VAL 124 CO 0.01 0.17 -0.14 0.77 0.02 0.00 0.00 177.57 178.41 2kly h SER 125 N 0.44 0.88 0.11 0.57 4.64 -1.15 -2.34 113.55 116.71 2kly h SER 125 Ca 0.12 -0.29 -0.05 0.00 -0.47 0.00 0.00 61.79 61.10 2kly h SER 125 Cb 0.12 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2kly h SER 125 CO -0.02 1.02 -0.18 0.00 -0.87 0.00 0.00 176.83 176.79 2kly h MET 126 N 0.78 0.15 0.00 4.77 -0.00 -1.14 0.26 114.93 119.75 2kly h MET 126 Ca 0.12 -0.04 -0.05 0.00 -0.00 0.00 0.00 59.70 59.73 2kly h MET 126 Cb 0.67 -0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 32.24 2kly h MET 126 CO 0.05 0.33 -0.24 -0.07 -0.00 0.00 0.00 176.91 176.98 2kly h LEU 127 N 0.14 0.00 0.09 -0.10 3.38 -1.01 -2.85 115.31 114.95 2kly h LEU 127 Ca 0.03 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.64 2kly h LEU 127 Cb 0.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2kly h LEU 127 CO 0.03 0.24 -1.99 0.00 0.09 0.00 0.00 178.44 176.81 2kly n ALA 128 N -2.19 1.05 -3.68 1.53 0.00 -0.60 -4.55 120.51 112.08 2kly n ALA 128 Ca 0.01 -0.67 -0.27 0.00 0.00 0.00 0.00 53.44 52.51 2kly n ALA 128 Cb 0.52 -0.66 -0.10 0.00 0.00 0.00 0.00 19.45 19.20 2kly n ALA 128 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kly n GLU 129 N -3.37 2.08 -1.62 0.00 1.02 0.81 -4.90 120.64 114.65 2kly n GLU 129 Ca -0.30 -4.52 -0.49 0.00 -0.02 0.00 0.00 57.16 51.83 2kly n GLU 129 Cb 1.05 -2.25 -0.05 0.00 -0.02 0.00 0.00 31.44 30.18 2kly n GLU 129 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2kly n PRO 130 N 1.49 1.60 -1.65 3.49 -0.02 -1.08 -4.55 135.00 134.28 2kly n PRO 130 Ca 0.24 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2kly n PRO 130 Cb 0.38 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2kly n PRO 130 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2kly n ASN 131 N 2.69 -6.93 0.00 2.55 4.05 -1.26 -5.07 115.26 111.28 2kly n ASN 131 Ca 0.16 1.02 0.00 0.00 0.45 0.00 0.00 54.58 56.21 2kly n ASN 131 Cb 0.25 -3.86 0.00 0.00 1.23 0.00 0.00 39.78 37.39 2kly n ASN 131 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2kly n ASP 132 N 1.33 0.00 -0.06 1.20 2.03 -1.26 -5.02 116.55 114.77 2kly n ASP 132 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 2kly n ASP 132 Cb 0.00 0.10 -0.01 0.00 -0.72 0.00 0.00 41.12 40.49 2kly n ASP 132 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2kly h GLU 133 N 0.00 0.00 0.00 -0.67 -0.00 -1.97 -3.49 114.58 108.45 2kly h GLU 133 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 2kly h GLU 133 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 28.77 2kly h GLU 133 CO 0.00 0.00 0.01 0.45 -0.00 0.00 0.00 179.01 179.47 2kly n SER 134 N -4.49 -0.95 -1.15 3.06 2.88 -1.26 -4.85 113.62 106.85 2kly n SER 134 Ca -0.04 -0.61 -0.01 0.00 -1.33 0.00 0.00 58.87 56.88 2kly n SER 134 Cb 0.15 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 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 2.23 -0.51 0.51 0.46 0.00 -1.26 -4.92 105.19 101.70 2kly n GLY 135 Ca 0.01 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.07 -1.32 -2.21 4.61 0.00 -1.37 -3.35 119.26 115.69 2kly h ALA 136 Ca -0.06 -0.28 -0.73 0.00 0.00 0.00 0.00 54.91 53.84 2kly h ALA 136 Cb 0.84 0.50 -0.21 0.00 0.00 0.00 0.00 17.79 18.93 2kly h ALA 136 CO -0.03 -1.23 0.36 1.21 0.00 0.00 0.00 179.25 179.56 2kly s ASN 137 N -3.98 6.52 0.46 0.00 3.84 -0.40 -4.85 114.94 116.53 2kly s ASN 137 Ca -0.19 -2.05 0.11 0.00 0.21 0.00 0.00 52.86 50.95 2kly s ASN 137 Cb 0.02 -2.31 1.04 0.00 -0.55 0.00 0.00 41.25 39.46 2kly s ASN 137 CO 0.57 -0.93 2.10 0.58 -2.79 0.00 0.00 177.10 176.63 2kly h VAL 138 N 5.52 1.06 -0.05 -5.21 2.07 -1.85 -1.49 116.25 116.30 2kly h VAL 138 Ca -0.01 -0.13 -0.19 0.00 0.82 0.00 0.00 66.70 67.19 2kly h VAL 138 Cb 1.05 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 2kly h VAL 138 CO 0.99 0.06 -0.77 -0.78 0.02 0.00 0.00 177.57 177.09 2kly h ASP 139 N 0.29 0.43 0.16 0.57 3.58 -1.94 -0.45 116.42 119.05 2kly h ASP 139 Ca 0.08 -0.30 -0.18 0.00 0.42 0.00 0.00 57.03 57.05 2kly h ASP 139 Cb -0.02 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 2kly h ASP 139 CO -0.02 1.05 -0.67 0.00 -2.88 0.00 0.00 179.24 176.72 2kly h ALA 140 N 0.94 0.62 -0.06 -0.78 0.00 -1.71 0.18 119.26 118.46 2kly h ALA 140 Ca -0.04 -0.57 -0.15 0.00 0.00 0.00 0.00 54.91 54.15 2kly h ALA 140 Cb 1.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2kly h ALA 140 CO 0.13 0.73 -0.64 0.66 0.00 0.00 0.00 179.25 180.13 2kly h SER 141 N 0.34 0.26 0.07 0.00 4.64 -1.21 -0.35 113.55 117.29 2kly h SER 141 Ca -0.02 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2kly h SER 141 Cb 1.24 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2kly h SER 141 CO 0.12 0.83 -0.03 0.50 -0.87 0.00 0.00 176.83 177.38 2kly h LYS 142 N 0.16 -0.09 -0.28 4.77 3.11 -0.85 -1.01 116.57 122.38 2kly h LYS 142 Ca -0.01 0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.84 2kly h LYS 142 Cb 1.16 0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.40 2kly h LYS 142 CO 0.10 0.29 0.18 1.98 -2.81 0.00 0.00 179.45 179.20 2kly h MET 143 N -0.48 0.34 -0.07 1.90 4.05 -0.63 0.87 114.93 120.91 2kly h MET 143 Ca -0.01 -0.02 -0.08 0.00 -0.28 0.00 0.00 59.70 59.31 2kly h MET 143 Cb 0.42 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 2kly h MET 143 CO 0.01 0.23 -0.26 2.35 0.23 0.00 0.00 176.91 179.47 2kly h TRP 144 N 0.35 0.40 0.03 1.39 2.91 -0.86 -3.04 115.95 117.13 2kly h TRP 144 Ca 0.10 -0.17 -0.28 0.00 1.13 0.00 0.00 58.89 59.68 2kly h TRP 144 Cb -0.01 -0.07 -0.04 0.00 -0.51 0.00 0.00 29.16 28.54 2kly h TRP 144 CO -0.00 0.88 -1.53 0.00 -1.03 0.00 0.00 178.44 176.75 2kly h ARG 145 N -0.19 0.06 0.00 2.65 3.08 -1.02 -3.33 114.38 115.63 2kly h ARG 145 Ca -0.01 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2kly h ARG 145 Cb 0.89 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2kly h ARG 145 CO 0.05 0.77 -0.02 0.22 -1.07 0.00 0.00 179.97 179.93 2kly h ASP 146 N 0.02 0.00 -3.08 7.04 3.58 -0.96 -3.42 116.42 119.59 2kly h ASP 146 Ca -0.22 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.53 2kly h ASP 146 Cb 1.96 0.00 -0.36 0.00 1.72 0.00 0.00 39.33 42.65 2kly h ASP 146 CO 0.11 0.07 -0.12 -0.67 -2.88 0.00 0.00 179.24 175.75 2kly n ASP 147 N -2.39 4.27 -0.15 2.28 -0.08 -1.15 -4.91 116.55 114.42 2kly n ASP 147 Ca -0.00 -3.22 0.10 0.00 -1.51 0.00 0.00 54.79 50.16 2kly n ASP 147 Cb 0.01 -0.99 0.43 0.00 2.34 0.00 0.00 41.12 42.91 2kly n ASP 147 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2kly h ARG 148 N 5.60 0.56 -0.44 -0.67 3.08 -1.67 -0.47 114.38 120.37 2kly h ARG 148 Ca 0.17 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 2kly h ARG 148 Cb 0.76 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 2kly h ARG 148 CO 0.89 0.37 0.02 0.93 -1.07 0.00 0.00 179.97 181.12 2kly h GLU 149 N 0.58 0.70 -0.03 0.04 4.39 -1.91 0.80 114.58 119.15 2kly h GLU 149 Ca 0.32 -0.17 -0.14 0.00 0.34 0.00 0.00 59.36 59.72 2kly h GLU 149 Cb 0.49 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2kly h GLU 149 CO -0.11 0.70 -0.62 0.37 -1.16 0.00 0.00 179.01 178.20 2kly h GLN 150 N 0.66 0.10 -0.11 2.33 -0.00 -1.41 -2.43 115.11 114.27 2kly h GLN 150 Ca 0.14 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.70 2kly h GLN 150 Cb 0.38 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.87 2kly h GLN 150 CO 0.01 0.69 0.01 0.35 0.00 0.00 0.00 178.83 179.88 2kly h PHE 151 N 0.08 0.20 -0.78 3.99 3.57 -0.77 -2.85 116.94 120.37 2kly h PHE 151 Ca -0.01 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.53 2kly h PHE 151 Cb 1.11 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 2kly h PHE 151 CO 0.01 0.42 0.46 1.88 -2.23 0.00 0.00 178.31 178.85 2kly h TYR 152 N -0.08 0.84 -0.45 0.41 0.05 -0.72 0.18 116.97 117.21 2kly h TYR 152 Ca 0.03 0.03 -0.12 0.00 0.05 0.00 0.00 58.73 58.72 2kly h TYR 152 Cb 0.33 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2kly h TYR 152 CO 0.03 0.40 -0.21 1.57 -1.05 0.00 0.00 178.16 178.90 2kly h LYS 153 N 0.82 0.90 -0.31 4.88 2.10 -1.45 -0.96 116.57 122.56 2kly h LYS 153 Ca 0.36 -0.37 -0.10 0.00 -2.00 0.00 0.00 60.65 58.53 2kly h LYS 153 Cb 0.23 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 2kly h LYS 153 CO -0.20 1.02 -0.25 0.82 -2.00 0.00 0.00 179.45 178.84 2kly h ILE 154 N 0.79 1.27 -0.45 0.07 2.04 -1.17 -0.91 117.51 119.14 2kly h ILE 154 Ca 0.11 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.66 2kly h ILE 154 Cb 0.75 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 2kly h ILE 154 CO 0.06 0.43 0.30 0.00 0.00 0.00 0.00 178.15 178.93 2kly h ALA 155 N 1.21 0.57 -0.24 1.87 0.00 -0.19 0.93 119.26 123.40 2kly h ALA 155 Ca 0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2kly h ALA 155 Cb 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2kly h ALA 155 CO 0.05 0.02 -0.16 0.87 0.00 0.00 0.00 179.25 180.03 2kly h LYS 156 N 0.61 0.41 -0.19 0.00 1.57 -1.00 -1.13 116.57 116.85 2kly h LYS 156 Ca 0.16 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2kly h LYS 156 Cb -0.07 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2kly h LYS 156 CO -0.04 0.57 0.12 1.96 -0.57 0.00 0.00 179.45 181.50 2kly h GLN 157 N 0.38 0.24 -0.67 3.15 4.20 -0.34 -1.63 115.11 120.44 2kly h GLN 157 Ca 0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 2kly h GLN 157 Cb 0.51 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 2kly h GLN 157 CO 0.03 0.16 0.38 0.82 -0.67 0.00 0.00 178.83 179.55 2kly h ILE 158 N 0.25 1.20 -0.13 2.54 1.08 -0.38 0.10 117.51 122.17 2kly h ILE 158 Ca 0.07 -0.48 0.03 0.00 -0.39 0.00 0.00 64.86 64.09 2kly h ILE 158 Cb -0.02 0.28 -0.03 0.00 -3.07 0.00 0.00 36.82 33.98 2kly h ILE 158 CO -0.02 0.22 -0.08 0.58 -0.69 0.00 0.00 178.15 178.16 2kly h VAL 159 N 0.93 0.77 -0.25 1.67 2.07 -0.71 0.23 116.25 120.95 2kly h VAL 159 Ca 0.24 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.75 2kly h VAL 159 Cb 0.01 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2kly h VAL 159 CO -0.04 0.00 0.11 1.56 0.02 0.00 0.00 177.57 179.22 2kly h GLN 160 N -0.07 0.37 -0.44 1.57 4.20 -0.77 -2.40 115.11 117.57 2kly h GLN 160 Ca 0.08 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 2kly h GLN 160 Cb 0.18 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2kly h GLN 160 CO -0.17 0.38 -0.00 0.87 -0.67 0.00 0.00 178.83 179.24 2kly h LYS 161 N 0.26 0.72 0.00 1.46 1.57 -0.69 0.35 116.57 120.25 2kly h LYS 161 Ca 0.08 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 2kly h LYS 161 Cb 0.15 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2kly h LYS 161 CO -0.01 0.74 -0.28 0.77 -0.57 0.00 0.00 179.45 180.09 2kly h SER 162 N 0.68 0.00 1.39 0.86 0.02 -0.43 -0.79 113.55 115.29 2kly h SER 162 Ca 0.14 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 2kly h SER 162 Cb 0.42 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2kly h SER 162 CO 0.02 0.28 -0.39 -0.07 -1.14 0.00 0.00 176.83 175.53 2kly h LEU 163 N 0.00 0.00 0.00 5.07 3.38 -0.62 -3.45 115.31 119.70 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 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2kly h LEU 163 CO 0.04 0.39 0.00 0.61 0.09 0.00 0.00 178.44 179.57 2kly n GLY 164 N 0.94 1.98 0.74 0.83 0.00 0.20 -5.10 105.19 104.78 2kly n GLY 164 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 2kly n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36