#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9m n ARG 2 N 0.00 1.42 -2.08 0.00 1.74 -1.26 -4.95 116.66 111.53 1k9m n ARG 2 Ca 0.00 0.51 -0.32 0.00 -0.77 0.00 0.00 57.85 57.27 1k9m n ARG 2 Cb 0.00 -2.04 -0.00 0.00 -1.02 0.00 0.00 32.46 29.40 1k9m n ARG 2 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1k9m s SER 3 N 0.03 6.18 0.14 0.55 1.04 -1.26 -4.94 113.70 115.44 1k9m s SER 3 Ca 0.70 1.59 -0.17 0.00 0.48 0.00 0.00 55.95 58.55 1k9m s SER 3 Cb -0.78 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 62.85 1k9m s SER 3 CO 0.52 -0.90 1.77 0.00 0.98 0.00 0.00 173.24 175.61 1k9m h ALA 4 N 0.29 0.38 -0.84 5.32 0.00 -2.03 -2.40 119.26 119.98 1k9m h ALA 4 Ca -0.46 0.02 0.15 0.00 0.00 0.00 0.00 54.91 54.62 1k9m h ALA 4 Cb 1.20 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 1k9m h ALA 4 CO 0.60 -0.24 -0.32 1.88 0.00 0.00 0.00 179.25 181.16 1k9m h TYR 5 N 0.30 -0.86 -0.50 0.00 0.99 -2.01 0.33 116.97 115.22 1k9m h TYR 5 Ca 0.13 0.09 0.15 0.00 2.00 0.00 0.00 58.73 61.10 1k9m h TYR 5 Cb 0.07 0.50 -0.02 0.00 1.00 0.00 0.00 36.73 38.28 1k9m h TYR 5 CO -0.11 -0.39 0.86 0.66 -0.00 0.00 0.00 178.16 179.18 1k9m h SER 6 N -0.05 0.00 0.22 3.88 4.64 -1.80 0.50 113.55 120.94 1k9m h SER 6 Ca 0.34 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.35 1k9m h SER 6 Cb 0.60 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.71 1k9m h SER 6 CO -0.87 0.00 -1.28 1.88 -0.87 0.00 0.00 176.83 175.69 1k9m h TYR 7 N 0.00 0.93 -0.00 4.77 -1.99 -0.43 -1.76 116.97 118.49 1k9m h TYR 7 Ca 0.24 -0.61 0.00 0.00 2.00 0.00 0.00 58.73 60.36 1k9m h TYR 7 Cb 1.95 -0.07 -0.00 0.00 2.00 0.00 0.00 36.73 40.61 1k9m h TYR 7 CO 0.00 1.46 -0.00 0.82 -0.00 0.00 0.00 178.16 180.44 1k9m h ILE 8 N 0.23 1.00 -0.02 -2.88 2.04 -0.09 -1.30 117.51 116.48 1k9m h ILE 8 Ca -0.19 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.70 1k9m h ILE 8 Cb 1.96 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 38.98 1k9m h ILE 8 CO 0.24 0.00 -0.38 -0.09 0.00 0.00 0.00 178.15 177.92 1k9m h ARG 9 N 0.00 -0.50 -0.98 2.37 2.43 -1.46 -1.41 114.38 114.82 1k9m h ARG 9 Ca 0.00 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.41 1k9m h ARG 9 Cb 0.00 0.11 -0.11 0.00 -0.42 0.00 0.00 29.97 29.56 1k9m h ARG 9 CO -0.00 -0.34 0.57 1.49 -1.51 0.00 0.00 179.97 180.18 1k9m h GLU 10 N -0.52 0.66 -0.50 0.20 4.57 -0.99 -0.94 114.58 117.05 1k9m h GLU 10 Ca 0.06 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.07 1k9m h GLU 10 Cb 0.62 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1k9m h GLU 10 CO -0.31 0.44 -0.18 0.00 -1.18 0.00 0.00 179.01 177.77 1k9m h ALA 11 N 1.66 0.72 0.00 2.92 0.00 -0.41 -3.02 119.26 121.14 1k9m h ALA 11 Ca 0.58 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1k9m h ALA 11 Cb 0.96 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1k9m h ALA 11 CO -0.41 0.67 0.00 0.91 0.00 0.00 0.00 179.25 180.42 1k9m n TRP 12 N -4.12 0.00 0.08 0.00 7.02 -0.39 -3.13 117.44 116.90 1k9m n TRP 12 Ca 0.01 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.47 1k9m n TRP 12 Cb 0.44 -0.39 0.25 0.00 -2.42 0.00 0.00 31.31 29.19 1k9m n TRP 12 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1k9m h LYS 13 N 0.00 0.30 -2.09 -0.99 1.57 -1.32 -3.30 116.57 110.73 1k9m h LYS 13 Ca 0.00 -0.12 -0.57 0.00 -1.87 0.00 0.00 60.65 58.09 1k9m h LYS 13 Cb 0.30 -0.01 -0.40 0.00 0.08 0.00 0.00 32.23 32.19 1k9m h LYS 13 CO 0.00 0.59 -0.89 0.54 -0.57 0.00 0.00 179.45 179.12 1k9m n ARG 14 N -4.09 1.61 0.00 3.15 1.74 -1.18 -4.97 116.66 112.92 1k9m n ARG 14 Ca -0.01 -3.91 0.00 0.00 -0.77 0.00 0.00 57.85 53.16 1k9m n ARG 14 Cb 0.42 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1k9m n ARG 14 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1k9m n PRO 15 N 0.97 0.00 -0.30 5.56 -0.04 -1.24 -0.71 135.00 139.23 1k9m n PRO 15 Ca 0.25 0.26 0.08 0.00 -0.04 0.00 0.00 63.50 64.06 1k9m n PRO 15 Cb 0.49 -1.61 0.24 0.00 -0.04 0.00 0.00 33.50 32.58 1k9m n PRO 15 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1k9m n LYS 16 N -1.22 2.92 -4.43 0.54 5.02 -1.26 -3.66 118.16 116.07 1k9m n LYS 16 Ca 0.00 -2.40 -0.24 0.00 -2.02 0.00 0.00 58.31 53.65 1k9m n LYS 16 Cb 0.11 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.55 1k9m n LYS 16 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1k9m s GLU 17 N -1.19 1.90 1.14 1.97 0.41 0.11 -4.80 118.70 118.23 1k9m s GLU 17 Ca 0.36 -1.73 0.00 0.00 -0.41 0.00 0.00 54.97 53.19 1k9m s GLU 17 Cb 0.20 -1.86 0.00 0.00 -1.78 0.00 0.00 34.13 30.69 1k9m s GLU 17 CO 0.22 0.26 0.00 0.41 -0.49 0.00 0.00 175.26 175.67 1k9m n GLY 18 N -0.77 0.88 0.18 -1.39 0.00 -1.26 -2.43 105.19 100.40 1k9m n GLY 18 Ca -0.05 -0.62 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 1k9m n GLY 18 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1k9m h GLN 19 N 0.00 0.33 -0.33 1.61 4.20 -1.98 -2.09 115.11 116.85 1k9m h GLN 19 Ca 0.00 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.74 1k9m h GLN 19 Cb 0.00 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1k9m h GLN 19 CO 0.00 0.22 0.22 0.97 -0.67 0.00 0.00 178.83 179.57 1k9m h ILE 20 N 0.34 0.96 -0.66 2.54 2.10 -1.90 -0.60 117.51 120.29 1k9m h ILE 20 Ca 0.20 -0.08 0.04 0.00 1.08 0.00 0.00 64.86 66.09 1k9m h ILE 20 Cb 0.18 0.70 -0.04 0.00 -1.09 0.00 0.00 36.82 36.56 1k9m h ILE 20 CO -0.19 0.04 0.40 0.00 -1.08 0.00 0.00 178.15 177.32 1k9m h ALA 21 N 1.82 0.87 -0.00 0.18 0.00 -1.03 -0.60 119.26 120.50 1k9m h ALA 21 Ca 0.14 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1k9m h ALA 21 Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1k9m h ALA 21 CO -0.03 0.14 -0.79 1.49 0.00 0.00 0.00 179.25 180.06 1k9m h GLU 22 N 0.78 0.03 -0.19 0.00 4.81 -1.16 -2.64 114.58 116.21 1k9m h GLU 22 Ca 0.27 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1k9m h GLU 22 Cb 0.06 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1k9m h GLU 22 CO -0.12 0.81 0.08 -0.07 -0.73 0.00 0.00 179.01 178.97 1k9m h LEU 23 N 0.02 0.27 0.13 1.64 3.38 -0.50 -1.71 115.31 118.54 1k9m h LEU 23 Ca -0.01 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1k9m h LEU 23 Cb 1.40 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 1k9m h LEU 23 CO 0.11 0.36 -0.28 0.24 0.09 0.00 0.00 178.44 178.95 1k9m h MET 24 N 0.16 -0.49 -0.97 1.13 2.86 -1.12 0.56 114.93 117.07 1k9m h MET 24 Ca 0.06 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.93 1k9m h MET 24 Cb 0.17 0.11 -0.11 0.00 0.06 0.00 0.00 31.60 31.84 1k9m h MET 24 CO -0.01 -0.32 0.56 2.35 1.06 0.00 0.00 176.91 180.55 1k9m h TRP 25 N -0.51 0.98 0.27 -0.22 7.01 -1.42 -0.54 115.95 121.52 1k9m h TRP 25 Ca 0.03 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 1k9m h TRP 25 Cb 0.53 -0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.30 1k9m h TRP 25 CO -0.25 0.19 -0.13 0.45 -2.79 0.00 0.00 178.44 175.91 1k9m h HIS 26 N 0.69 -0.33 -0.39 2.65 3.86 -0.09 -3.34 115.15 118.20 1k9m h HIS 26 Ca 0.56 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.81 1k9m h HIS 26 Cb 0.90 0.11 -0.06 0.00 1.06 0.00 0.00 27.41 29.41 1k9m h HIS 26 CO -0.03 -0.21 -0.38 0.00 0.86 0.00 0.00 177.93 178.17 1k9m h ARG 27 N -0.48 -0.18 -1.06 2.45 3.08 0.36 -2.57 114.38 115.98 1k9m h ARG 27 Ca -0.04 0.01 0.41 0.00 0.07 0.00 0.00 59.98 60.44 1k9m h ARG 27 Cb 0.28 0.04 -0.16 0.00 0.08 0.00 0.00 29.97 30.21 1k9m h ARG 27 CO 0.06 -0.12 0.61 -1.33 -1.07 0.00 0.00 179.97 178.12 1k9m n MET 28 N -4.50 -0.05 -0.25 0.04 2.81 -0.24 0.15 117.12 115.08 1k9m n MET 28 Ca -0.01 1.26 -0.04 0.00 -1.81 0.00 0.00 57.70 57.10 1k9m n MET 28 Cb 0.21 -2.33 0.07 0.00 -0.71 0.00 0.00 33.22 30.46 1k9m n MET 28 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1k9m h GLN 29 N 0.00 0.88 -0.07 0.03 4.20 -1.58 0.35 115.11 118.93 1k9m h GLN 29 Ca 0.81 -0.05 -0.20 0.00 0.06 0.00 0.00 58.65 59.27 1k9m h GLN 29 Cb 2.29 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 29.88 1k9m h GLN 29 CO -0.63 0.58 -0.80 0.93 -0.67 0.00 0.00 178.83 178.24 1k9m h GLU 30 N 0.90 0.46 -0.11 1.46 5.08 0.14 -3.24 114.58 119.26 1k9m h GLU 30 Ca 0.28 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1k9m h GLU 30 Cb -0.03 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1k9m h GLU 30 CO -0.09 1.05 0.06 -1.49 -1.00 0.00 0.00 179.01 177.54 1k9m h TRP 31 N 0.30 0.16 -0.01 4.33 6.55 -0.45 -1.91 115.95 124.92 1k9m h TRP 31 Ca -0.05 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.79 1k9m h TRP 31 Cb 1.40 -0.05 -0.00 0.00 -0.86 0.00 0.00 29.16 29.64 1k9m h TRP 31 CO 0.05 0.19 0.18 0.00 -1.05 0.00 0.00 178.44 177.81 1k9m h ARG 32 N 0.08 0.00 -0.02 0.49 3.08 -0.34 0.45 114.38 118.12 1k9m h ARG 32 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1k9m h ARG 32 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1k9m h ARG 32 CO -0.01 0.00 -0.30 0.09 -1.07 0.00 0.00 179.97 178.68 1k9m n ASN 33 N -3.00 1.89 -4.95 7.04 3.02 -0.76 -4.95 115.26 113.56 1k9m n ASN 33 Ca -0.02 -1.44 -0.23 0.00 -0.03 0.00 0.00 54.58 52.85 1k9m n ASN 33 Cb 0.24 0.27 0.02 0.00 -0.61 0.00 0.00 39.78 39.70 1k9m n ASN 33 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1k9m s GLU 34 N -2.36 2.93 0.03 3.52 2.02 0.16 -5.10 118.70 119.90 1k9m s GLU 34 Ca 0.23 -0.42 -0.01 0.00 0.02 0.00 0.00 54.97 54.79 1k9m s GLU 34 Cb 0.19 -2.48 0.01 0.00 0.10 0.00 0.00 34.13 31.95 1k9m s GLU 34 CO 0.49 -0.45 0.03 -0.35 0.02 0.00 0.00 175.26 175.00 1k9m n PRO 35 N -2.25 -1.09 -0.05 0.39 -0.04 -1.26 -4.97 135.00 125.73 1k9m n PRO 35 Ca 0.03 -0.04 -0.16 0.00 -0.04 0.00 0.00 63.50 63.29 1k9m n PRO 35 Cb 0.58 -0.04 -0.07 0.00 -0.04 0.00 0.00 33.50 33.93 1k9m n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k9m h ALA 36 N -2.02 0.32 -3.41 0.55 0.00 -1.93 -3.43 119.26 109.35 1k9m h ALA 36 Ca -0.01 -0.50 -0.58 0.00 0.00 0.00 0.00 54.91 53.82 1k9m h ALA 36 Cb 0.03 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 17.39 1k9m h ALA 36 CO 0.01 0.51 -0.77 0.08 0.00 0.00 0.00 179.25 179.08 1k9m s VAL 37 N -3.93 1.11 -0.20 0.00 1.01 -1.26 -1.64 120.40 115.50 1k9m s VAL 37 Ca -0.12 -1.15 -0.01 0.00 0.00 0.00 0.00 61.98 60.70 1k9m s VAL 37 Cb 0.08 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1k9m s VAL 37 CO 0.86 -0.32 -0.13 -0.69 0.00 0.00 0.00 175.10 174.82 1k9m s VAL 38 N 1.56 2.66 0.05 2.92 1.01 -0.79 -4.98 120.40 122.82 1k9m s VAL 38 Ca 0.01 -0.74 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 1k9m s VAL 38 Cb -0.18 -2.17 -0.06 0.00 0.00 0.00 0.00 36.38 33.98 1k9m s VAL 38 CO -0.12 0.49 1.22 -0.60 0.00 0.00 0.00 175.10 176.09 1k9m s ARG 39 N 1.37 4.41 -0.05 2.72 3.52 -1.26 -1.16 118.95 128.50 1k9m s ARG 39 Ca 0.05 1.79 0.06 0.00 -0.13 0.00 0.00 55.73 57.50 1k9m s ARG 39 Cb -0.14 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1k9m s ARG 39 CO -0.08 -0.30 -0.21 0.96 -0.81 0.00 0.00 175.30 174.85 1k9m s ILE 40 N 1.23 2.41 0.24 4.11 -4.36 -1.04 -4.95 121.20 118.84 1k9m s ILE 40 Ca 0.59 -0.96 -0.06 0.00 -0.26 0.00 0.00 60.65 59.96 1k9m s ILE 40 Cb -0.30 -1.89 0.23 0.00 1.25 0.00 0.00 42.46 41.75 1k9m s ILE 40 CO 0.28 0.58 1.90 -0.33 0.24 0.00 0.00 174.94 177.61 1k9m h GLU 41 N 5.68 1.17 -5.38 0.37 5.08 -1.95 -3.40 114.58 116.14 1k9m h GLU 41 Ca -0.40 -0.07 -0.46 0.00 -1.00 0.00 0.00 59.36 57.43 1k9m h GLU 41 Cb 1.15 -0.26 -0.25 0.00 0.50 0.00 0.00 28.75 29.89 1k9m h GLU 41 CO 0.49 0.77 -0.80 1.03 -1.00 0.00 0.00 179.01 179.50 1k9m s ARG 42 N -6.10 0.99 0.25 2.33 1.81 -1.26 -4.93 118.95 112.04 1k9m s ARG 42 Ca -0.13 -0.75 -0.30 0.00 -1.72 0.00 0.00 55.73 52.83 1k9m s ARG 42 Cb 0.18 -1.00 -0.10 0.00 -0.45 0.00 0.00 34.95 33.57 1k9m s ARG 42 CO 0.81 0.25 1.42 -2.14 -0.68 0.00 0.00 175.30 174.96 1k9m s PRO 43 N -1.08 4.28 0.28 3.54 0.02 -1.26 -4.93 135.00 135.86 1k9m s PRO 43 Ca 0.02 2.28 0.06 0.00 0.02 0.00 0.00 61.00 63.38 1k9m s PRO 43 Cb -0.08 -3.11 0.41 0.00 0.02 0.00 0.00 34.50 31.74 1k9m s PRO 43 CO 0.01 -0.39 1.67 1.15 -0.33 0.00 0.00 177.00 179.11 1k9m h THR 44 N 3.52 1.32 -3.12 0.99 2.02 -2.00 -3.32 112.91 112.31 1k9m h THR 44 Ca -0.46 -1.59 -0.67 0.00 0.77 0.00 0.00 66.41 64.46 1k9m h THR 44 Cb 1.22 1.72 -0.38 0.00 -1.74 0.00 0.00 68.15 68.97 1k9m h THR 44 CO 0.77 0.48 -0.28 0.54 0.37 0.00 0.00 175.52 177.40 1k9m n ARG 45 N -4.00 2.41 -0.29 6.66 1.74 -1.26 -4.95 116.66 116.96 1k9m n ARG 45 Ca -0.02 -4.51 0.09 0.00 -0.77 0.00 0.00 57.85 52.65 1k9m n ARG 45 Cb 0.50 -2.36 0.25 0.00 -1.02 0.00 0.00 32.46 29.83 1k9m n ARG 45 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1k9m h LEU 46 N 5.58 0.38 -0.13 0.55 6.46 -1.99 -0.86 115.31 125.30 1k9m h LEU 46 Ca 0.16 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1k9m h LEU 46 Cb 0.77 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1k9m h LEU 46 CO 0.82 0.10 0.08 -2.24 -0.62 0.00 0.00 178.44 176.59 1k9m h ASP 47 N 0.49 0.16 -0.03 1.25 2.03 -1.92 -1.97 116.42 116.42 1k9m h ASP 47 Ca 0.49 -0.03 0.03 0.00 -0.73 0.00 0.00 57.03 56.79 1k9m h ASP 47 Cb 0.81 -0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 39.23 1k9m h ASP 47 CO -0.44 0.14 -0.16 0.03 -1.03 0.00 0.00 179.24 177.78 1k9m h ARG 48 N 0.16 -0.24 0.64 4.15 2.47 -1.71 -0.22 114.38 119.63 1k9m h ARG 48 Ca 0.05 0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 1k9m h ARG 48 Cb 0.01 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.38 1k9m h ARG 48 CO -0.01 -0.16 -0.40 0.00 0.56 0.00 0.00 179.97 179.96 1k9m h ALA 49 N 0.70 -1.01 -0.85 0.04 0.00 -1.08 -0.62 119.26 116.44 1k9m h ALA 49 Ca 0.06 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.89 1k9m h ALA 49 Cb 0.33 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 1k9m h ALA 49 CO -0.17 -1.09 0.48 0.00 0.00 0.00 0.00 179.25 178.47 1k9m h ARG 50 N -0.98 0.73 0.00 0.00 3.08 -1.28 0.37 114.38 116.29 1k9m h ARG 50 Ca -0.08 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 1k9m h ARG 50 Cb 0.80 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1k9m h ARG 50 CO 0.07 0.48 -0.06 1.03 -1.07 0.00 0.00 179.97 180.42 1k9m h SER 51 N 0.75 0.00 0.71 7.04 0.87 -0.67 -1.75 113.55 120.49 1k9m h SER 51 Ca 0.43 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1k9m h SER 51 Cb 0.49 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.45 1k9m h SER 51 CO -0.29 0.06 -1.04 0.18 -0.53 0.00 0.00 176.83 175.21 1k9m n LEU 52 N -3.69 0.67 0.00 2.23 4.77 0.11 -4.95 117.00 116.14 1k9m n LEU 52 Ca -0.02 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1k9m n LEU 52 Cb 0.16 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1k9m n LEU 52 CO 0.28 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1k9m n GLY 53 N 1.27 0.32 3.76 -0.72 0.00 -0.17 -4.84 105.19 104.81 1k9m n GLY 53 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 1k9m n GLY 53 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k9m s TYR 54 N -0.37 2.46 -0.08 1.61 5.04 -0.25 -4.92 117.35 120.83 1k9m s TYR 54 Ca 0.00 1.32 -0.08 0.00 -2.44 0.00 0.00 57.07 55.87 1k9m s TYR 54 Cb 0.00 -3.84 0.02 0.00 0.35 0.00 0.00 41.96 38.50 1k9m s TYR 54 CO 0.00 -2.78 0.23 0.15 -1.34 0.00 0.00 175.55 171.81 1k9m s LYS 55 N -2.58 0.30 -1.08 4.97 1.02 -1.26 -4.20 119.74 116.91 1k9m s LYS 55 Ca 0.64 0.27 -0.22 0.00 0.02 0.00 0.00 55.97 56.68 1k9m s LYS 55 Cb -0.41 0.15 0.01 0.00 -0.52 0.00 0.00 37.83 37.05 1k9m s LYS 55 CO 0.52 -0.04 1.70 0.00 -0.92 0.00 0.00 175.35 176.61 1k9m s ALA 56 N -0.01 2.49 0.21 5.17 0.00 -1.26 -4.85 121.76 123.50 1k9m s ALA 56 Ca -0.01 -2.23 -0.06 0.00 0.00 0.00 0.00 51.96 49.66 1k9m s ALA 56 Cb -0.02 -4.59 -0.02 0.00 0.00 0.00 0.00 23.12 18.49 1k9m s ALA 56 CO 0.01 -4.05 0.26 0.21 0.00 0.00 0.00 175.76 172.19 1k9m s LYS 57 N 5.48 1.29 0.10 0.00 2.20 -1.26 -5.12 119.74 122.42 1k9m s LYS 57 Ca 0.57 -1.44 -0.30 0.00 -0.36 0.00 0.00 55.97 54.43 1k9m s LYS 57 Cb -0.01 0.35 -0.06 0.00 -1.51 0.00 0.00 37.83 36.60 1k9m s LYS 57 CO -0.00 -0.47 1.05 -0.65 -0.36 0.00 0.00 175.35 174.92 1k9m s GLN 58 N -4.08 4.59 0.00 4.03 -0.21 -1.26 -3.11 119.66 119.62 1k9m s GLN 58 Ca 0.30 1.59 0.00 0.00 0.02 0.00 0.00 55.36 57.27 1k9m s GLN 58 Cb 0.04 -3.36 0.00 0.00 1.00 0.00 0.00 33.01 30.69 1k9m s GLN 58 CO 0.09 0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.70 1k9m n GLY 59 N 2.50 0.68 3.47 3.09 0.00 -1.26 -4.55 105.19 109.12 1k9m n GLY 59 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1k9m n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k9m s ILE 60 N -2.52 3.98 0.09 -0.61 1.01 -1.18 -0.10 121.20 121.87 1k9m s ILE 60 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 60.65 60.42 1k9m s ILE 60 Cb 0.00 -2.79 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 1k9m s ILE 60 CO 0.00 0.44 -0.22 -0.63 0.00 0.00 0.00 174.94 174.54 1k9m s ILE 61 N 0.84 1.78 0.09 2.92 1.09 -0.13 -4.87 121.20 122.91 1k9m s ILE 61 Ca 0.00 -1.49 0.07 0.00 -1.10 0.00 0.00 60.65 58.13 1k9m s ILE 61 Cb -0.14 -1.59 -0.03 0.00 -1.06 0.00 0.00 42.46 39.63 1k9m s ILE 61 CO 0.02 0.02 -0.18 -0.69 -0.10 0.00 0.00 174.94 174.01 1k9m s VAL 62 N -1.07 1.45 -0.12 2.92 1.01 -1.26 0.73 120.40 124.06 1k9m s VAL 62 Ca 0.08 -1.45 -0.20 0.00 0.00 0.00 0.00 61.98 60.40 1k9m s VAL 62 Cb -0.10 -1.35 0.05 0.00 0.00 0.00 0.00 36.38 34.98 1k9m s VAL 62 CO 0.04 -0.15 0.50 -0.69 0.00 0.00 0.00 175.10 174.80 1k9m s VAL 63 N -1.26 0.01 -0.12 2.92 1.01 -0.10 -2.51 120.40 120.36 1k9m s VAL 63 Ca 0.03 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 1k9m s VAL 63 Cb -0.10 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1k9m s VAL 63 CO 0.03 -0.07 0.13 -0.60 0.00 0.00 0.00 175.10 174.60 1k9m s ARG 64 N -0.47 3.42 -0.04 2.72 3.52 -0.31 0.15 118.95 127.94 1k9m s ARG 64 Ca -0.06 -0.15 0.04 0.00 -0.13 0.00 0.00 55.73 55.43 1k9m s ARG 64 Cb -0.03 -3.17 -0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1k9m s ARG 64 CO 0.04 0.77 -0.15 0.08 -0.81 0.00 0.00 175.30 175.23 1k9m s VAL 65 N -1.01 1.25 -0.12 7.11 1.01 0.58 -1.89 120.40 127.33 1k9m s VAL 65 Ca 0.15 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.49 1k9m s VAL 65 Cb -0.12 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 1k9m s VAL 65 CO 0.04 0.37 -0.01 0.00 0.00 0.00 0.00 175.10 175.50 1k9m s ALA 66 N 0.10 3.20 0.05 5.51 0.00 -0.65 -2.18 121.76 127.79 1k9m s ALA 66 Ca -0.04 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1k9m s ALA 66 Cb -0.11 -1.54 -0.02 0.00 0.00 0.00 0.00 23.12 21.45 1k9m s ALA 66 CO 0.02 0.44 -0.10 0.42 0.00 0.00 0.00 175.76 176.54 1k9m s ILE 67 N -0.39 0.71 0.41 0.00 -1.09 -0.67 -4.89 121.20 115.27 1k9m s ILE 67 Ca 0.07 -1.07 -0.25 0.00 -2.23 0.00 0.00 60.65 57.17 1k9m s ILE 67 Cb -0.12 -0.73 -0.08 0.00 -1.58 0.00 0.00 42.46 39.95 1k9m s ILE 67 CO 0.02 -0.28 1.15 0.00 -1.23 0.00 0.00 174.94 174.59 1k9m s ARG 68 N -1.49 4.04 0.82 2.79 3.03 -1.26 -1.37 118.95 125.51 1k9m s ARG 68 Ca -0.07 1.77 -0.12 0.00 2.03 0.00 0.00 55.73 59.34 1k9m s ARG 68 Cb -0.09 -2.62 0.09 0.00 -1.03 0.00 0.00 34.95 31.29 1k9m s ARG 68 CO 0.01 -0.31 1.18 0.15 -1.13 0.00 0.00 175.30 175.20 1k9m s LYS 69 N -2.37 1.85 0.46 3.89 1.02 0.20 -4.84 119.74 119.94 1k9m s LYS 69 Ca 0.58 0.11 0.00 0.00 0.02 0.00 0.00 55.97 56.68 1k9m s LYS 69 Cb -0.29 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 1k9m s LYS 69 CO 0.36 -1.68 0.00 0.41 -0.92 0.00 0.00 175.35 173.52 1k9m n GLY 70 N -3.24 -1.80 2.72 -3.33 0.00 -1.26 -5.02 105.19 93.26 1k9m n GLY 70 Ca 0.08 -1.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.06 1k9m n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k9m n SER 71 N 0.14 -0.30 -4.72 1.61 3.41 -1.26 -4.97 113.62 107.53 1k9m n SER 71 Ca 0.00 -1.27 -0.42 0.00 -0.26 0.00 0.00 58.87 56.92 1k9m n SER 71 Cb 0.00 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.19 1k9m n SER 71 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1k9m s SER 72 N -4.32 6.47 -0.95 4.04 0.15 -1.07 -4.91 113.70 113.11 1k9m s SER 72 Ca 0.54 2.75 -0.22 0.00 0.70 0.00 0.00 55.95 59.72 1k9m s SER 72 Cb -0.02 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.78 1k9m s SER 72 CO 0.38 -0.92 1.29 -0.13 1.20 0.00 0.00 173.24 175.06 1k9m s ARG 73 N 1.37 3.54 -0.12 5.44 3.00 -1.26 -4.93 118.95 125.99 1k9m s ARG 73 Ca 0.74 -1.28 0.02 0.00 0.00 0.00 0.00 55.73 55.21 1k9m s ARG 73 Cb -0.47 -5.06 -0.00 0.00 0.00 0.00 0.00 34.95 29.42 1k9m s ARG 73 CO 0.32 -2.02 -0.20 0.50 0.00 0.00 0.00 175.30 173.89 1k9m s ARG 74 N 4.13 3.14 0.33 3.54 3.52 -1.26 -5.13 118.95 127.22 1k9m s ARG 74 Ca 0.39 -0.82 -0.28 0.00 -0.13 0.00 0.00 55.73 54.89 1k9m s ARG 74 Cb -0.03 -2.43 -0.09 0.00 -1.56 0.00 0.00 34.95 30.83 1k9m s ARG 74 CO -0.07 0.14 1.18 0.99 -0.81 0.00 0.00 175.30 176.72 1k9m s THR 75 N 0.48 3.17 0.37 4.11 2.01 -1.26 -4.90 115.64 119.61 1k9m s THR 75 Ca -0.14 1.11 -0.25 0.00 0.31 0.00 0.00 61.69 62.73 1k9m s THR 75 Cb -0.17 -3.68 -0.09 0.00 0.01 0.00 0.00 72.50 68.57 1k9m s THR 75 CO 0.05 0.22 1.03 -0.60 -0.69 0.00 0.00 174.62 174.63 1k9m s ARG 76 N -1.83 4.33 0.14 4.92 3.52 -1.26 -4.97 118.95 123.79 1k9m s ARG 76 Ca 0.50 1.51 -0.35 0.00 -0.13 0.00 0.00 55.73 57.26 1k9m s ARG 76 Cb -0.34 -2.69 -0.15 0.00 -1.56 0.00 0.00 34.95 30.22 1k9m s ARG 76 CO 0.43 0.00 1.46 1.97 -0.81 0.00 0.00 175.30 178.36 1k9m n PHE 77 N 0.24 1.94 0.86 5.12 1.16 -1.26 -4.94 117.46 120.57 1k9m n PHE 77 Ca 0.03 0.44 0.11 0.00 -1.87 0.00 0.00 57.45 56.17 1k9m n PHE 77 Cb 0.49 -2.45 0.29 0.00 -1.61 0.00 0.00 39.48 36.20 1k9m n PHE 77 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1k9m n ASN 78 N 2.95 2.54 -1.18 5.98 4.13 -1.26 -4.98 115.26 123.44 1k9m n ASN 78 Ca 0.17 -1.85 -0.02 0.00 1.68 0.00 0.00 54.58 54.57 1k9m n ASN 78 Cb 0.25 -0.14 -0.01 0.00 -1.54 0.00 0.00 39.78 38.34 1k9m n ASN 78 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1k9m n LYS 79 N 0.91 0.04 -1.77 3.52 4.76 -1.26 -5.13 118.16 119.23 1k9m n LYS 79 Ca 0.17 -0.26 -0.42 0.00 -2.87 0.00 0.00 58.31 54.93 1k9m n LYS 79 Cb 0.48 0.23 -0.02 0.00 -1.84 0.00 0.00 35.03 33.87 1k9m n LYS 79 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1k9m s GLY 80 N -1.19 1.62 -0.05 0.72 0.00 -1.26 -5.00 107.32 102.16 1k9m s GLY 80 Ca 0.03 1.56 -0.05 0.00 0.00 0.00 0.00 44.72 46.27 1k9m s GLY 80 CO 0.02 2.72 0.13 0.50 0.00 0.00 0.00 173.10 176.47 1k9m s ARG 81 N 0.46 0.15 0.43 2.90 3.00 -1.26 -5.14 118.95 119.50 1k9m s ARG 81 Ca 0.69 0.19 -0.20 0.00 0.00 0.00 0.00 55.73 56.42 1k9m s ARG 81 Cb -0.48 0.07 -0.10 0.00 0.00 0.00 0.00 34.95 34.43 1k9m s ARG 81 CO 0.39 -0.02 0.93 -0.98 0.00 0.00 0.00 175.30 175.62 1k9m s ARG 82 N 0.09 4.16 0.25 3.54 1.70 -1.26 -4.83 118.95 122.60 1k9m s ARG 82 Ca -0.00 1.04 -0.01 0.00 -0.47 0.00 0.00 55.73 56.28 1k9m s ARG 82 Cb -0.01 -2.20 0.55 0.00 -0.57 0.00 0.00 34.95 32.72 1k9m s ARG 82 CO 0.00 -0.05 1.32 -1.13 -1.08 0.00 0.00 175.30 174.36 1k9m n SER 83 N -0.76 -0.18 -0.30 -2.89 3.41 -1.26 0.80 113.62 112.44 1k9m n SER 83 Ca 0.07 1.44 0.11 0.00 -0.26 0.00 0.00 58.87 60.22 1k9m n SER 83 Cb 0.54 -0.49 0.27 0.00 -0.26 0.00 0.00 64.21 64.27 1k9m n SER 83 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1k9m h LYS 84 N 0.00 0.50 -0.53 4.33 3.11 -2.04 -2.03 116.57 119.92 1k9m h LYS 84 Ca 0.47 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.28 1k9m h LYS 84 Cb 0.89 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 1k9m h LYS 84 CO -0.82 0.33 0.00 0.54 -2.81 0.00 0.00 179.45 176.69 1k9m n ARG 85 N -4.96 2.37 0.00 1.90 5.12 0.24 -4.25 116.66 117.08 1k9m n ARG 85 Ca 0.20 -2.11 0.14 0.00 -1.93 0.00 0.00 57.85 54.15 1k9m n ARG 85 Cb 0.56 -1.47 0.60 0.00 -1.16 0.00 0.00 32.46 30.98 1k9m n ARG 85 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1k9m n MET 86 N 1.24 0.25 -1.59 5.56 2.81 -0.76 -4.89 117.12 119.74 1k9m n MET 86 Ca 0.20 -0.05 -0.46 0.00 -1.81 0.00 0.00 57.70 55.58 1k9m n MET 86 Cb 0.52 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.51 1k9m n MET 86 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1k9m n MET 87 N -1.33 1.32 0.00 0.03 2.81 -1.26 -4.80 117.12 113.89 1k9m n MET 87 Ca 0.10 0.46 0.00 0.00 -1.81 0.00 0.00 57.70 56.46 1k9m n MET 87 Cb 0.30 -1.87 0.00 0.00 -0.71 0.00 0.00 33.22 30.94 1k9m n MET 87 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1k9m n VAL 88 N 0.59 0.00 -0.03 2.03 0.31 -1.26 -4.88 118.33 115.08 1k9m n VAL 88 Ca 0.11 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.29 1k9m n VAL 88 Cb 0.30 -0.24 -0.11 0.00 -0.91 0.00 0.00 33.84 32.88 1k9m n VAL 88 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1k9m h ASN 89 N 0.00 0.19 0.42 4.52 2.35 -1.91 -3.38 115.58 117.77 1k9m h ASN 89 Ca 0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 55.00 1k9m h ASN 89 Cb 0.10 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1k9m h ASN 89 CO 0.00 0.91 -0.16 0.54 -1.65 0.00 0.00 177.43 177.07 1k9m n ARG 90 N -4.55 0.57 -2.41 0.81 1.74 -1.26 -4.79 116.66 106.77 1k9m n ARG 90 Ca -0.09 -0.22 -0.41 0.00 -0.77 0.00 0.00 57.85 56.36 1k9m n ARG 90 Cb 0.47 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.38 1k9m n ARG 90 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1k9m s ILE 91 N -2.58 3.59 0.04 0.55 1.01 -1.26 -4.99 121.20 117.56 1k9m s ILE 91 Ca 0.25 1.38 0.05 0.00 0.00 0.00 0.00 60.65 62.33 1k9m s ILE 91 Cb 0.20 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 1k9m s ILE 91 CO 0.51 0.24 -0.13 0.42 0.00 0.00 0.00 174.94 175.98 1k9m s THR 92 N -0.26 1.03 1.02 2.92 -4.23 -1.26 -2.60 115.64 112.26 1k9m s THR 92 Ca 0.51 -1.04 -0.12 0.00 -1.18 0.00 0.00 61.69 59.86 1k9m s THR 92 Cb -0.32 -0.96 0.20 0.00 1.34 0.00 0.00 72.50 72.76 1k9m s THR 92 CO 0.37 -0.07 1.08 -0.13 -0.54 0.00 0.00 174.62 175.32 1k9m s ARG 93 N -1.27 0.21 0.00 3.99 1.81 -1.26 -4.85 118.95 117.58 1k9m s ARG 93 Ca -0.00 0.91 0.24 0.00 -1.72 0.00 0.00 55.73 55.17 1k9m s ARG 93 Cb -0.08 -1.68 0.33 0.00 -0.45 0.00 0.00 34.95 33.06 1k9m s ARG 93 CO 0.01 -2.98 1.32 1.63 -0.68 0.00 0.00 175.30 174.60 1k9m n LYS 94 N -4.41 1.67 -4.12 3.54 5.02 -1.26 -4.82 118.16 113.78 1k9m n LYS 94 Ca 0.06 -1.29 -0.35 0.00 -2.02 0.00 0.00 58.31 54.71 1k9m n LYS 94 Cb 0.55 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 33.95 1k9m n LYS 94 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1k9m s LYS 95 N -2.22 3.57 0.84 1.97 2.20 -1.26 -4.99 119.74 119.85 1k9m s LYS 95 Ca 0.26 -0.55 -0.11 0.00 -0.36 0.00 0.00 55.97 55.21 1k9m s LYS 95 Cb 0.19 -3.02 0.10 0.00 -1.51 0.00 0.00 37.83 33.59 1k9m s LYS 95 CO 0.42 0.01 1.09 0.54 -0.36 0.00 0.00 175.35 177.06 1k9m s ASN 96 N 0.98 3.89 0.32 1.43 4.22 -1.26 -4.87 114.94 119.65 1k9m s ASN 96 Ca 0.01 1.70 0.01 0.00 -2.14 0.00 0.00 52.86 52.44 1k9m s ASN 96 Cb -0.14 -2.37 0.55 0.00 1.28 0.00 0.00 41.25 40.56 1k9m s ASN 96 CO 0.01 -2.41 1.96 0.40 -2.04 0.00 0.00 177.10 175.03 1k9m h ILE 97 N -1.39 1.19 -0.76 0.54 2.04 -1.98 -1.62 117.51 115.53 1k9m h ILE 97 Ca -0.46 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.00 1k9m h ILE 97 Cb 1.26 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 1k9m h ILE 97 CO 0.52 0.20 0.48 -0.61 0.00 0.00 0.00 178.15 178.74 1k9m h GLN 98 N 0.90 0.90 -0.27 2.37 4.15 -1.99 -0.24 115.11 120.92 1k9m h GLN 98 Ca 0.23 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.52 1k9m h GLN 98 Cb -0.02 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 1k9m h GLN 98 CO -0.04 0.59 -0.16 -0.09 -1.93 0.00 0.00 178.83 177.20 1k9m h ARG 99 N 0.92 0.47 -0.17 1.69 2.43 -1.67 -0.62 114.38 117.44 1k9m h ARG 99 Ca 0.31 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1k9m h ARG 99 Cb 0.04 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1k9m h ARG 99 CO -0.12 0.63 0.06 0.82 -1.51 0.00 0.00 179.97 179.85 1k9m h ILE 100 N 0.43 1.17 -0.30 1.20 2.04 -0.91 -2.16 117.51 118.98 1k9m h ILE 100 Ca 0.08 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.49 1k9m h ILE 100 Cb 0.54 1.19 -0.08 0.00 -0.74 0.00 0.00 36.82 37.73 1k9m h ILE 100 CO 0.03 0.16 -0.32 0.00 0.00 0.00 0.00 178.15 178.03 1k9m h ALA 101 N 0.90 -0.24 -0.90 1.87 0.00 -0.29 0.11 119.26 120.70 1k9m h ALA 101 Ca 0.06 0.07 0.17 0.00 0.00 0.00 0.00 54.91 55.21 1k9m h ALA 101 Cb 0.19 0.66 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 1k9m h ALA 101 CO -0.00 -0.75 0.48 0.93 0.00 0.00 0.00 179.25 179.91 1k9m h GLU 102 N -0.30 0.60 -0.16 0.00 5.08 -0.90 -0.41 114.58 118.49 1k9m h GLU 102 Ca 0.14 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1k9m h GLU 102 Cb 0.53 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1k9m h GLU 102 CO -0.47 0.40 -0.11 0.93 -1.00 0.00 0.00 179.01 178.76 1k9m h GLU 103 N 0.62 0.35 -0.71 2.33 5.08 -0.39 -1.50 114.58 120.37 1k9m h GLU 103 Ca 0.52 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1k9m h GLU 103 Cb 0.81 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1k9m h GLU 103 CO -0.40 0.70 0.38 0.00 -1.00 0.00 0.00 179.01 178.69 1k9m h ARG 104 N 0.00 0.99 -0.27 2.33 3.08 -0.46 0.24 114.38 120.29 1k9m h ARG 104 Ca 0.03 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1k9m h ARG 104 Cb 0.62 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1k9m h ARG 104 CO 0.03 0.74 0.12 0.00 -1.07 0.00 0.00 179.97 179.79 1k9m h ALA 105 N 1.42 0.36 -0.56 0.04 0.00 -1.02 -2.33 119.26 117.17 1k9m h ALA 105 Ca 0.25 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1k9m h ALA 105 Cb 0.05 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1k9m h ALA 105 CO -0.04 -0.07 0.36 -0.97 0.00 0.00 0.00 179.25 178.53 1k9m h ASN 106 N 0.30 0.62 -0.53 0.00 -0.73 -0.49 -1.37 115.58 113.38 1k9m h ASN 106 Ca 0.09 -0.01 0.03 0.00 1.87 0.00 0.00 56.30 58.28 1k9m h ASN 106 Cb 0.14 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.55 1k9m h ASN 106 CO -0.01 0.45 0.35 0.03 -0.37 0.00 0.00 177.43 177.88 1k9m h ARG 107 N 0.74 0.62 -0.10 6.67 3.08 -0.80 -1.17 114.38 123.42 1k9m h ARG 107 Ca 0.21 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 1k9m h ARG 107 Cb -0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1k9m h ARG 107 CO -0.06 0.41 -0.17 0.87 -1.07 0.00 0.00 179.97 179.95 1k9m h LYS 108 N 0.64 0.16 -2.28 0.04 1.79 -0.70 -3.18 116.57 113.03 1k9m h LYS 108 Ca 0.21 -0.04 -0.62 0.00 -2.18 0.00 0.00 60.65 58.02 1k9m h LYS 108 Cb 0.06 -0.02 -0.40 0.00 -1.58 0.00 0.00 32.23 30.28 1k9m h LYS 108 CO -0.05 0.33 -0.42 1.19 -1.08 0.00 0.00 179.45 179.42 1k9m n PHE 109 N -4.27 3.76 -0.41 -1.35 3.01 -0.45 -4.94 117.46 112.81 1k9m n PHE 109 Ca -0.01 -3.86 0.34 0.00 1.01 0.00 0.00 57.45 54.92 1k9m n PHE 109 Cb 0.28 -0.60 0.56 0.00 -0.01 0.00 0.00 39.48 39.71 1k9m n PHE 109 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1k9m n PRO 110 N 0.15 -0.02 0.10 -1.08 -0.04 -1.14 -0.13 135.00 132.84 1k9m n PRO 110 Ca 0.32 0.97 -0.02 0.00 -0.04 0.00 0.00 63.50 64.74 1k9m n PRO 110 Cb 0.38 -1.97 -0.04 0.00 -0.04 0.00 0.00 33.50 31.83 1k9m n PRO 110 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 1k9m h ASN 111 N 0.00 0.00 -4.11 3.54 -1.07 -1.92 -3.46 115.58 108.56 1k9m h ASN 111 Ca 0.71 0.00 -0.47 0.00 0.07 0.00 0.00 56.30 56.61 1k9m h ASN 111 Cb 2.40 0.00 0.08 0.00 -2.07 0.00 0.00 38.32 38.73 1k9m h ASN 111 CO -0.31 0.71 0.30 -0.76 0.07 0.00 0.00 177.43 177.44 1k9m s LEU 112 N -6.51 2.79 -0.03 6.14 1.43 0.82 -4.61 118.68 118.72 1k9m s LEU 112 Ca 0.02 0.69 0.05 0.00 -1.03 0.00 0.00 54.13 53.86 1k9m s LEU 112 Cb 0.09 -3.34 -0.01 0.00 0.03 0.00 0.00 46.19 42.96 1k9m s LEU 112 CO 0.78 -1.58 -0.16 -0.13 0.23 0.00 0.00 176.35 175.49 1k9m s ARG 113 N -5.33 1.50 0.07 1.70 0.52 -0.90 -4.93 118.95 111.59 1k9m s ARG 113 Ca 0.59 -0.57 -0.31 0.00 -0.52 0.00 0.00 55.73 54.92 1k9m s ARG 113 Cb -0.11 -1.38 -0.08 0.00 0.52 0.00 0.00 34.95 33.91 1k9m s ARG 113 CO 0.47 0.29 1.57 0.08 0.02 0.00 0.00 175.30 177.73 1k9m s VAL 114 N -0.15 3.13 -0.18 3.52 1.01 -1.26 -1.30 120.40 125.16 1k9m s VAL 114 Ca 0.01 0.63 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 1k9m s VAL 114 Cb -0.09 -3.40 -0.22 0.00 0.00 0.00 0.00 36.38 32.67 1k9m s VAL 114 CO 0.01 0.01 0.11 -0.11 0.00 0.00 0.00 175.10 175.11 1k9m n LEU 115 N 5.23 2.71 0.00 3.92 -0.00 0.48 -4.83 117.00 124.52 1k9m n LEU 115 Ca 0.15 0.09 0.00 0.00 -0.00 0.00 0.00 56.01 56.25 1k9m n LEU 115 Cb 0.41 -1.02 0.00 0.00 -0.00 0.00 0.00 43.42 42.81 1k9m n LEU 115 CO 0.61 0.85 0.00 -3.20 -0.00 0.00 0.00 177.39 175.66 1k9m n ASN 116 N -3.47 0.00 -3.47 1.96 2.85 -1.20 -4.71 115.26 107.22 1k9m n ASN 116 Ca -0.38 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 53.94 1k9m n ASN 116 Cb 1.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.98 1k9m n ASN 116 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1k9m s SER 117 N 0.00 -0.60 0.06 1.20 1.04 -1.26 -0.68 113.70 113.45 1k9m s SER 117 Ca 0.00 0.33 -0.04 0.00 0.48 0.00 0.00 55.95 56.72 1k9m s SER 117 Cb 0.00 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.67 1k9m s SER 117 CO 0.00 -0.80 0.06 -0.72 0.98 0.00 0.00 173.24 172.76 1k9m s TYR 118 N -2.54 0.33 0.54 5.02 -0.85 -0.55 -4.96 117.35 114.34 1k9m s TYR 118 Ca -0.05 -0.76 -0.17 0.00 -0.52 0.00 0.00 57.07 55.56 1k9m s TYR 118 Cb -0.01 -0.23 -0.06 0.00 0.38 0.00 0.00 41.96 42.05 1k9m s TYR 118 CO -0.02 -0.41 1.04 0.45 -1.52 0.00 0.00 175.55 175.09 1k9m s SER 119 N -2.62 6.10 -0.06 -0.18 0.15 -1.26 -0.15 113.70 115.68 1k9m s SER 119 Ca 0.02 1.82 0.23 0.00 0.70 0.00 0.00 55.95 58.73 1k9m s SER 119 Cb 0.04 -2.54 0.44 0.00 -1.71 0.00 0.00 66.02 62.25 1k9m s SER 119 CO -0.08 -0.95 1.17 1.33 1.20 0.00 0.00 173.24 175.90 1k9m n VAL 120 N -1.59 0.47 0.00 4.45 0.24 -0.51 -4.78 118.33 116.62 1k9m n VAL 120 Ca 0.09 -1.58 0.00 0.00 -2.04 0.00 0.00 64.34 60.81 1k9m n VAL 120 Cb 0.53 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 1k9m n VAL 120 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k9m n GLY 121 N 0.14 -0.04 3.47 7.63 0.00 -1.25 -4.80 105.19 110.35 1k9m n GLY 121 Ca 0.08 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 44.02 1k9m n GLY 121 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k9m s GLU 122 N -1.14 1.10 0.00 1.61 -1.05 -1.26 -0.89 118.70 117.06 1k9m s GLU 122 Ca 0.00 -0.00 0.00 0.00 -0.15 0.00 0.00 54.97 54.82 1k9m s GLU 122 Cb 0.00 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1k9m s GLU 122 CO 0.00 -0.39 0.00 -0.40 0.95 0.00 0.00 175.26 175.42 1k9m n ASP 123 N 0.53 0.53 0.19 0.83 5.68 -1.12 -4.99 116.55 118.21 1k9m n ASP 123 Ca -0.18 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.17 1k9m n ASP 123 Cb 0.59 0.00 0.58 0.00 -1.14 0.00 0.00 41.12 41.16 1k9m n ASP 123 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1k9m h GLY 124 N 0.00 0.15 0.00 6.12 0.00 -2.04 -3.35 103.07 103.95 1k9m h GLY 124 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1k9m h GLY 124 CO 0.00 0.05 0.00 -0.96 0.00 0.00 0.00 176.54 175.63 1k9m n ARG 125 N -4.52 2.24 -3.76 4.80 1.85 -1.26 -4.89 116.66 111.13 1k9m n ARG 125 Ca -0.01 -0.04 -0.23 0.00 -1.00 0.00 0.00 57.85 56.56 1k9m n ARG 125 Cb 0.09 -0.30 -0.03 0.00 -1.05 0.00 0.00 32.46 31.17 1k9m n ARG 125 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1k9m s HIS 126 N -0.33 2.29 -0.15 2.89 3.76 -1.26 0.62 115.29 123.11 1k9m s HIS 126 Ca 0.00 -0.63 -0.10 0.00 -0.15 0.00 0.00 55.06 54.18 1k9m s HIS 126 Cb 0.00 -2.05 0.05 0.00 1.11 0.00 0.00 32.58 31.69 1k9m s HIS 126 CO 0.00 -0.22 0.37 0.15 -0.85 0.00 0.00 174.74 174.19 1k9m s LYS 127 N -4.16 0.37 0.04 1.40 1.02 -0.47 -2.80 119.74 115.14 1k9m s LYS 127 Ca 0.43 0.67 0.09 0.00 0.02 0.00 0.00 55.97 57.17 1k9m s LYS 127 Cb -0.02 0.02 -0.03 0.00 -0.52 0.00 0.00 37.83 37.29 1k9m s LYS 127 CO 0.25 -0.13 -0.24 -1.58 -0.92 0.00 0.00 175.35 172.73 1k9m s TRP 128 N 1.05 2.40 -0.04 3.18 0.51 -0.07 -1.68 118.94 124.29 1k9m s TRP 128 Ca -0.07 -0.36 -0.04 0.00 -2.12 0.00 0.00 56.10 53.51 1k9m s TRP 128 Cb -0.07 -1.42 0.01 0.00 -0.81 0.00 0.00 33.47 31.18 1k9m s TRP 128 CO -0.08 0.17 0.12 -1.01 -0.51 0.00 0.00 176.95 175.63 1k9m s HIS 129 N -0.84 -0.10 -0.14 -1.98 3.76 -0.93 -1.42 115.29 113.64 1k9m s HIS 129 Ca 0.13 0.25 -0.09 0.00 -0.15 0.00 0.00 55.06 55.20 1k9m s HIS 129 Cb -0.10 0.03 -0.05 0.00 1.11 0.00 0.00 32.58 33.57 1k9m s HIS 129 CO 0.03 -0.09 0.17 -1.21 -0.85 0.00 0.00 174.74 172.80 1k9m s GLU 130 N -0.11 3.79 -0.07 1.40 2.02 0.79 -0.30 118.70 126.22 1k9m s GLU 130 Ca -0.02 -0.09 0.02 0.00 0.02 0.00 0.00 54.97 54.90 1k9m s GLU 130 Cb -0.02 -3.29 -0.03 0.00 0.10 0.00 0.00 34.13 30.90 1k9m s GLU 130 CO 0.00 0.57 -0.10 0.08 0.02 0.00 0.00 175.26 175.83 1k9m s VAL 131 N -0.45 3.39 -0.21 2.63 1.01 0.39 -1.49 120.40 125.67 1k9m s VAL 131 Ca 0.14 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 1k9m s VAL 131 Cb -0.12 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1k9m s VAL 131 CO 0.03 0.59 0.14 -0.63 0.00 0.00 0.00 175.10 175.22 1k9m s ILE 132 N -0.66 5.33 0.31 2.22 1.01 0.14 -0.93 121.20 128.63 1k9m s ILE 132 Ca 0.10 0.17 0.08 0.00 0.00 0.00 0.00 60.65 61.00 1k9m s ILE 132 Cb -0.11 -3.45 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 1k9m s ILE 132 CO 0.01 0.40 -0.09 -0.76 0.00 0.00 0.00 174.94 174.51 1k9m s LEU 133 N 0.65 2.61 -0.01 2.97 1.02 0.22 -0.39 118.68 125.75 1k9m s LEU 133 Ca 0.07 -1.18 0.01 0.00 0.02 0.00 0.00 54.13 53.06 1k9m s LEU 133 Cb -0.12 -0.84 0.00 0.00 0.02 0.00 0.00 46.19 45.25 1k9m s LEU 133 CO 0.01 -0.24 -0.03 -0.63 0.02 0.00 0.00 176.35 175.47 1k9m s ILE 134 N -2.78 0.31 -0.63 -0.59 -1.09 -0.42 -0.96 121.20 115.04 1k9m s ILE 134 Ca 0.31 -0.12 -0.20 0.00 -2.23 0.00 0.00 60.65 58.40 1k9m s ILE 134 Cb 0.02 -0.29 0.09 0.00 -1.58 0.00 0.00 42.46 40.70 1k9m s ILE 134 CO 0.14 0.11 0.82 -0.62 -1.23 0.00 0.00 174.94 174.16 1k9m s ASP 135 N 0.16 6.19 0.00 3.58 -1.08 0.85 -2.12 116.67 124.25 1k9m s ASP 135 Ca -0.01 -1.26 0.10 0.00 -0.52 0.00 0.00 52.55 50.85 1k9m s ASP 135 Cb -0.05 -2.35 0.61 0.00 -1.46 0.00 0.00 42.92 39.67 1k9m s ASP 135 CO -0.00 -1.25 1.04 -0.81 0.52 0.00 0.00 175.17 174.67 1k9m n PRO 136 N 6.91 0.34 -0.00 4.34 -0.04 -1.26 -2.49 135.00 142.79 1k9m n PRO 136 Ca -0.07 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.44 1k9m n PRO 136 Cb 0.44 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 1k9m n PRO 136 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1k9m n ASP 137 N -0.97 1.55 -4.68 3.54 8.00 -1.26 -4.74 116.55 117.99 1k9m n ASP 137 Ca 0.08 -0.36 -0.43 0.00 0.71 0.00 0.00 54.79 54.79 1k9m n ASP 137 Cb 0.04 1.25 -0.02 0.00 -0.02 0.00 0.00 41.12 42.36 1k9m n ASP 137 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1k9m s HIS 138 N -2.36 3.45 1.10 1.24 2.46 -1.04 -4.94 115.29 115.21 1k9m s HIS 138 Ca -0.00 1.54 -0.12 0.00 0.47 0.00 0.00 55.06 56.95 1k9m s HIS 138 Cb 0.07 -3.21 0.25 0.00 -0.13 0.00 0.00 32.58 29.56 1k9m s HIS 138 CO 0.43 -0.31 1.05 -1.25 -2.47 0.00 0.00 174.74 172.20 1k9m s PRO 139 N 2.41 -0.44 0.00 2.88 0.04 -1.26 -1.68 135.00 136.95 1k9m s PRO 139 Ca 0.47 0.88 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1k9m s PRO 139 Cb -0.17 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1k9m s PRO 139 CO 0.14 -3.41 0.00 0.00 0.04 0.00 0.00 177.00 173.77 1k9m n ALA 140 N -4.70 0.00 -0.10 8.56 0.00 -1.26 -4.44 120.51 118.57 1k9m n ALA 140 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 1k9m n ALA 140 Cb 0.54 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.91 1k9m n ALA 140 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1k9m n ILE 141 N 0.00 1.08 0.28 0.00 5.41 -0.68 -3.49 119.36 121.96 1k9m n ILE 141 Ca 0.00 -0.37 0.14 0.00 1.00 0.00 0.00 62.75 63.52 1k9m n ILE 141 Cb 0.00 -1.34 0.84 0.00 -0.71 0.00 0.00 39.64 38.43 1k9m n ILE 141 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1k9m h LYS 142 N -0.21 0.00 -0.37 0.38 1.57 -1.56 -1.03 116.57 115.35 1k9m h LYS 142 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1k9m h LYS 142 Cb 1.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.90 1k9m h LYS 142 CO -0.14 0.05 0.00 0.43 -0.57 0.00 0.00 179.45 179.22 1k9m n SER 143 N -3.79 3.32 -4.60 0.86 7.64 -1.26 -4.79 113.62 110.99 1k9m n SER 143 Ca -0.03 -1.95 -0.41 0.00 1.01 0.00 0.00 58.87 57.50 1k9m n SER 143 Cb 0.14 -0.24 -0.07 0.00 -1.01 0.00 0.00 64.21 63.03 1k9m n SER 143 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1k9m s ASP 144 N -1.35 6.47 0.00 6.43 -1.08 -0.39 -4.90 116.67 121.84 1k9m s ASP 144 Ca 0.35 0.45 0.07 0.00 -0.52 0.00 0.00 52.55 52.90 1k9m s ASP 144 Cb 0.21 -2.31 0.35 0.00 -1.46 0.00 0.00 42.92 39.71 1k9m s ASP 144 CO 0.29 -0.40 1.06 0.47 0.52 0.00 0.00 175.17 177.11 1k9m n ASP 145 N 5.73 0.00 -0.00 -0.34 8.00 -1.26 -0.06 116.55 128.62 1k9m n ASP 145 Ca -0.02 0.16 0.05 0.00 0.71 0.00 0.00 54.79 55.69 1k9m n ASP 145 Cb 0.49 -0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.25 1k9m n ASP 145 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9m n GLN 146 N -1.27 1.82 0.00 -1.24 6.02 -1.26 -4.65 117.38 116.80 1k9m n GLN 146 Ca 0.03 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1k9m n GLN 146 Cb 0.05 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1k9m n GLN 146 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1k9m n LEU 147 N -1.58 0.00 -0.29 1.08 4.77 -1.06 -4.73 117.00 115.18 1k9m n LEU 147 Ca -0.00 -0.06 0.34 0.00 -0.03 0.00 0.00 56.01 56.26 1k9m n LEU 147 Cb 0.23 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.04 1k9m n LEU 147 CO 0.23 0.00 1.32 0.77 -1.33 0.00 0.00 177.39 178.37 1k9m h SER 148 N 0.00 0.00 -0.29 -1.43 4.64 -0.50 -0.22 113.55 115.75 1k9m h SER 148 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 1k9m h SER 148 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1k9m h SER 148 CO 0.00 0.00 0.28 4.11 -0.87 0.00 0.00 176.83 180.35 1k9m h TRP 149 N 0.00 0.00 0.00 4.77 5.08 -1.85 0.11 115.95 124.06 1k9m h TRP 149 Ca 0.54 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.51 1k9m h TRP 149 Cb 2.35 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 28.51 1k9m h TRP 149 CO 0.00 0.00 0.00 1.51 -1.28 0.00 0.00 178.44 178.67 1k9m n ILE 150 N -3.92 0.10 0.19 0.12 3.06 -0.09 -3.00 119.36 115.81 1k9m n ILE 150 Ca 0.04 0.02 0.11 0.00 -2.50 0.00 0.00 62.75 60.42 1k9m n ILE 150 Cb 0.43 -0.56 0.12 0.00 0.54 0.00 0.00 39.64 40.17 1k9m n ILE 150 CO 0.00 0.00 0.00 0.28 -2.50 0.00 0.00 176.55 174.33 1k9m h SER 151 N 0.00 0.00 -3.07 9.51 0.02 -0.94 -3.46 113.55 115.61 1k9m h SER 151 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 1k9m h SER 151 Cb 0.27 0.00 0.14 0.00 0.14 0.00 0.00 62.40 62.96 1k9m h SER 151 CO 0.00 0.07 0.06 0.54 -1.14 0.00 0.00 176.83 176.36 1k9m n ARG 152 N -3.03 1.13 -0.03 3.45 5.12 -1.16 -4.87 116.66 117.26 1k9m n ARG 152 Ca 0.03 0.41 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 1k9m n ARG 152 Cb 0.56 -1.99 0.31 0.00 -1.16 0.00 0.00 32.46 30.19 1k9m n ARG 152 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1k9m h THR 153 N 1.18 1.18 0.00 0.55 2.02 -1.92 -1.91 112.91 114.01 1k9m h THR 153 Ca -0.45 -0.63 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1k9m h THR 153 Cb 1.35 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1k9m h THR 153 CO 0.54 0.23 0.00 0.54 0.37 0.00 0.00 175.52 177.21 1k9m n ARG 154 N -4.33 0.04 -0.16 6.66 1.74 -1.26 -1.47 116.66 117.89 1k9m n ARG 154 Ca 0.02 0.21 0.07 0.00 -0.77 0.00 0.00 57.85 57.39 1k9m n ARG 154 Cb 0.19 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.29 1k9m n ARG 154 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1k9m n HIS 155 N -1.23 0.42 -1.68 -1.55 8.25 -0.72 -4.97 115.22 113.74 1k9m n HIS 155 Ca 0.01 -0.34 -0.45 0.00 -0.26 0.00 0.00 57.72 56.68 1k9m n HIS 155 Cb 0.02 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 1k9m n HIS 155 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1k9m n ARG 156 N 0.83 2.39 -3.56 -0.41 1.74 -0.54 -2.58 116.66 114.54 1k9m n ARG 156 Ca 0.13 0.87 -0.19 0.00 -0.77 0.00 0.00 57.85 57.89 1k9m n ARG 156 Cb 0.45 -2.69 0.06 0.00 -1.02 0.00 0.00 32.46 29.25 1k9m n ARG 156 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1k9m n LEU 157 N 4.81 -3.61 -0.08 0.55 4.77 -1.26 -4.94 117.00 117.23 1k9m n LEU 157 Ca 0.18 -0.72 -0.06 0.00 -0.03 0.00 0.00 56.01 55.38 1k9m n LEU 157 Cb 0.32 -2.90 -0.00 0.00 -2.33 0.00 0.00 43.42 38.51 1k9m n LEU 157 CO 0.66 0.39 0.76 0.03 -1.33 0.00 0.00 177.39 177.90 1k9m h ARG 158 N -1.86 -0.09 -0.15 3.23 3.08 -1.86 -2.71 114.38 114.02 1k9m h ARG 158 Ca -0.60 0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.49 1k9m h ARG 158 Cb 1.35 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.38 1k9m h ARG 158 CO 0.53 -0.06 -0.10 1.79 -1.07 0.00 0.00 179.97 181.06 1k9m h THR 159 N -0.09 0.70 0.00 2.04 1.35 -1.90 -1.18 112.91 113.82 1k9m h THR 159 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.02 1k9m h THR 159 Cb 0.34 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1k9m h THR 159 CO -0.38 0.00 0.03 0.49 -0.25 0.00 0.00 175.52 175.42 1k9m n PHE 160 N -5.25 0.54 0.14 4.73 3.01 -1.03 0.15 117.46 119.75 1k9m n PHE 160 Ca -0.03 0.28 0.06 0.00 1.01 0.00 0.00 57.45 58.77 1k9m n PHE 160 Cb 0.17 -0.93 0.11 0.00 -0.01 0.00 0.00 39.48 38.82 1k9m n PHE 160 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1k9m n ARG 161 N -2.06 1.78 -1.16 -1.08 1.74 -0.64 -4.98 116.66 110.26 1k9m n ARG 161 Ca -0.01 -1.64 -0.05 0.00 -0.77 0.00 0.00 57.85 55.37 1k9m n ARG 161 Cb 0.06 -1.25 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 1k9m n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9m n GLY 162 N 0.60 0.78 0.00 -0.13 0.00 0.12 -4.88 105.19 101.68 1k9m n GLY 162 Ca 0.09 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.73 1k9m n GLY 162 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k9m n LEU 163 N -0.61 0.00 -4.85 0.99 4.77 -0.54 -2.95 117.00 113.80 1k9m n LEU 163 Ca -0.05 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.64 1k9m n LEU 163 Cb 0.23 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.42 1k9m n LEU 163 CO 0.08 0.00 0.75 -0.89 -1.33 0.00 0.00 177.39 176.01 1k9m s THR 164 N -2.00 2.25 0.00 -5.08 2.01 -1.26 -4.79 115.64 106.77 1k9m s THR 164 Ca 0.37 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.45 1k9m s THR 164 Cb 0.17 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.71 1k9m s THR 164 CO 0.29 -0.11 0.75 -1.54 -0.69 0.00 0.00 174.62 173.32 1k9m n SER 165 N -3.45 0.00 0.31 3.53 3.41 -1.26 -0.49 113.62 115.67 1k9m n SER 165 Ca 0.07 0.75 0.19 0.00 -0.26 0.00 0.00 58.87 59.62 1k9m n SER 165 Cb 0.60 -0.25 1.03 0.00 -0.26 0.00 0.00 64.21 65.33 1k9m n SER 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k9m h ALA 166 N -1.69 1.23 0.63 7.33 0.00 -1.94 -2.67 119.26 122.15 1k9m h ALA 166 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1k9m h ALA 166 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1k9m h ALA 166 CO 0.00 0.02 -0.37 0.78 0.00 0.00 0.00 179.25 179.68 1k9m h GLY 167 N 0.19 -1.00 1.02 0.00 0.00 -1.46 -0.30 103.07 101.53 1k9m h GLY 167 Ca -0.00 0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.68 1k9m h GLY 167 CO 0.00 -0.36 0.22 3.21 0.00 0.00 0.00 176.54 179.61 1k9m h ARG 168 N -0.93 1.01 0.32 4.80 3.08 -0.44 -1.92 114.38 120.30 1k9m h ARG 168 Ca -0.08 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 1k9m h ARG 168 Cb 0.75 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1k9m h ARG 168 CO 0.09 0.88 -0.16 0.00 -1.07 0.00 0.00 179.97 179.71 1k9m h ARG 169 N 0.94 -0.42 -0.10 0.04 3.08 -1.47 -1.80 114.38 114.66 1k9m h ARG 169 Ca 0.21 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.32 1k9m h ARG 169 Cb 0.28 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1k9m h ARG 169 CO -0.01 -0.23 0.17 0.00 -1.07 0.00 0.00 179.97 178.83 1k9m n ARG 171 N -3.45 0.89 -0.99 0.00 1.74 -0.71 -4.92 116.66 109.22 1k9m n ARG 171 Ca -0.00 -0.31 0.00 0.00 -0.77 0.00 0.00 57.85 56.76 1k9m n ARG 171 Cb 0.26 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1k9m n ARG 171 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9m n GLY 172 N 1.22 0.50 0.69 -0.13 0.00 0.29 -4.86 105.19 102.90 1k9m n GLY 172 Ca 0.17 -0.90 0.10 0.00 0.00 0.00 0.00 46.02 45.38 1k9m n GLY 172 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k9m n LEU 173 N 0.00 2.05 0.23 0.99 4.77 -1.01 -4.45 117.00 119.59 1k9m n LEU 173 Ca 0.00 -0.90 -0.17 0.00 -0.03 0.00 0.00 56.01 54.91 1k9m n LEU 173 Cb 0.07 -0.16 -0.09 0.00 -2.33 0.00 0.00 43.42 40.91 1k9m n LEU 173 CO 0.00 0.45 0.57 0.03 -1.33 0.00 0.00 177.39 177.11 1k9m h ARG 174 N 2.61 -0.82 -6.82 3.23 3.08 -1.82 -3.43 114.38 110.41 1k9m h ARG 174 Ca 0.00 0.06 -0.51 0.00 0.07 0.00 0.00 59.98 59.60 1k9m h ARG 174 Cb 0.58 0.19 0.03 0.00 0.08 0.00 0.00 29.97 30.84 1k9m h ARG 174 CO 0.00 -0.55 0.52 0.20 -1.07 0.00 0.00 179.97 179.07 1k9m s GLY 175 N -2.22 3.04 0.06 0.04 0.00 -1.26 -4.94 107.32 102.04 1k9m s GLY 175 Ca -0.17 0.99 0.23 0.00 0.00 0.00 0.00 44.72 45.76 1k9m s GLY 175 CO 0.62 1.61 0.96 -1.06 0.00 0.00 0.00 173.10 175.23 1k9m n GLN 176 N 1.14 0.37 0.00 2.90 6.02 -1.26 -4.70 117.38 121.86 1k9m n GLN 176 Ca -0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1k9m n GLN 176 Cb 0.44 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 30.08 1k9m n GLN 176 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k9m n GLY 177 N 1.33 1.24 3.64 1.08 0.00 -1.26 -4.94 105.19 106.27 1k9m n GLY 177 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 1k9m n GLY 177 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1k9m n LYS 178 N 0.00 1.70 0.00 1.61 4.81 -1.26 -2.16 118.16 122.85 1k9m n LYS 178 Ca 0.00 0.60 0.00 0.00 -0.87 0.00 0.00 58.31 58.04 1k9m n LYS 178 Cb 0.00 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 32.92 1k9m n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k9m n GLY 179 N 1.55 3.02 1.97 3.14 0.00 -1.26 -4.90 105.19 108.70 1k9m n GLY 179 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 1k9m n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k9m n SER 180 N 0.00 5.36 -0.06 1.61 3.41 -0.92 -4.58 113.62 118.44 1k9m n SER 180 Ca 0.00 -3.07 -0.07 0.00 -0.26 0.00 0.00 58.87 55.47 1k9m n SER 180 Cb 0.00 -0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 63.21 1k9m n SER 180 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1k9m h GLU 181 N 3.40 0.00 -0.21 4.33 3.07 -1.89 -1.63 114.58 121.64 1k9m h GLU 181 Ca 0.13 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1k9m h GLU 181 Cb 2.17 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.08 1k9m h GLU 181 CO 0.62 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.86 1k9m n LYS 182 N -5.22 1.95 -0.10 2.33 4.76 -1.26 -4.45 118.16 116.16 1k9m n LYS 182 Ca -0.01 -1.43 -0.16 0.00 -2.87 0.00 0.00 58.31 53.84 1k9m n LYS 182 Cb 0.15 -1.43 -0.06 0.00 -1.84 0.00 0.00 35.03 31.85 1k9m n LYS 182 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1k9m n VAL 183 N 0.66 1.50 -3.29 -0.18 0.31 -0.66 -4.38 118.33 112.28 1k9m n VAL 183 Ca 0.17 -0.01 -0.31 0.00 -0.01 0.00 0.00 64.34 64.17 1k9m n VAL 183 Cb 0.41 -2.19 -0.05 0.00 -0.91 0.00 0.00 33.84 31.11 1k9m n VAL 183 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1k9m s ARG 184 N -2.60 3.81 0.11 5.55 3.52 -0.92 -2.54 118.95 125.89 1k9m s ARG 184 Ca -0.29 0.32 0.27 0.00 -0.13 0.00 0.00 55.73 55.91 1k9m s ARG 184 Cb 0.07 -2.58 0.95 0.00 -1.56 0.00 0.00 34.95 31.83 1k9m s ARG 184 CO 0.43 0.23 1.80 -0.35 -0.81 0.00 0.00 175.30 176.61 1k9m n PRO 185 N -0.42 0.15 -3.55 5.12 -0.04 -1.26 -4.86 135.00 130.13 1k9m n PRO 185 Ca 0.01 0.12 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 1k9m n PRO 185 Cb 0.53 -1.67 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 1k9m n PRO 185 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1k9m s SER 186 N -3.85 -0.59 0.04 3.54 1.04 -1.05 -5.04 113.70 107.79 1k9m s SER 186 Ca 0.12 0.61 -0.27 0.00 0.48 0.00 0.00 55.95 56.89 1k9m s SER 186 Cb 0.15 0.51 -0.17 0.00 0.10 0.00 0.00 66.02 66.61 1k9m s SER 186 CO 0.58 -0.60 1.47 -0.07 0.98 0.00 0.00 173.24 175.60 1k9m h LEU 187 N 3.08 -0.39 -0.66 2.42 3.38 -1.81 -2.68 115.31 118.66 1k9m h LEU 187 Ca -0.28 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 57.73 1k9m h LEU 187 Cb 1.15 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.91 1k9m h LEU 187 CO 0.39 -0.14 0.20 -0.09 0.09 0.00 0.00 178.44 178.89 1k9m h ARG 188 N -0.63 0.33 0.00 1.13 2.43 -1.93 0.77 114.38 116.49 1k9m h ARG 188 Ca -0.05 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1k9m h ARG 188 Cb 0.45 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1k9m h ARG 188 CO 0.08 0.22 -0.06 -0.24 -1.51 0.00 0.00 179.97 178.45 1k9m h VAL 189 N 0.34 0.54 -0.63 0.20 3.04 -1.93 -1.91 116.25 115.90 1k9m h VAL 189 Ca 0.35 -0.28 -0.20 0.00 -1.01 0.00 0.00 66.70 65.56 1k9m h VAL 189 Cb 0.52 1.18 -0.12 0.00 -2.01 0.00 0.00 31.29 30.86 1k9m h VAL 189 CO -0.40 0.06 0.26 0.59 -1.01 0.00 0.00 177.57 177.07 1k9m n ASN 190 N -3.73 4.26 0.00 3.17 3.02 0.10 -4.87 115.26 117.20 1k9m n ASN 190 Ca -0.02 -3.02 0.00 0.00 -0.03 0.00 0.00 54.58 51.51 1k9m n ASN 190 Cb 0.16 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 1k9m n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k9m n GLY 191 N -0.14 0.59 2.49 7.41 0.00 -0.72 -3.69 105.19 111.14 1k9m n GLY 191 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.28 1k9m n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9m n ALA 192 N 1.00 -1.49 -0.68 4.61 0.00 -0.23 -4.98 120.51 118.75 1k9m n ALA 192 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.54 1k9m n ALA 192 Cb 0.04 -2.88 0.12 0.00 0.00 0.00 0.00 19.45 16.74 1k9m n ALA 192 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1k9m n LYS 193 N -2.64 2.16 0.00 0.00 5.02 -1.24 -5.05 118.16 116.41 1k9m n LYS 193 Ca -0.09 -2.27 0.00 0.00 -2.02 0.00 0.00 58.31 53.93 1k9m n LYS 193 Cb 0.58 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 1k9m n LYS 193 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88