#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ke6 h GLU 2 N 0.00 0.00 -0.09 2.12 5.08 -2.05 -3.30 114.58 116.34 1ke6 h GLU 2 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ke6 h GLU 2 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ke6 h GLU 2 CO 0.00 0.17 0.00 0.09 -1.00 0.00 0.00 179.01 178.27 1ke6 n ASN 3 N -2.94 1.02 -4.21 1.42 5.03 -1.26 -4.85 115.26 109.46 1ke6 n ASN 3 Ca -0.01 -1.56 -0.24 0.00 0.87 0.00 0.00 54.58 53.65 1ke6 n ASN 3 Cb 0.65 -0.06 -0.14 0.00 -1.02 0.00 0.00 39.78 39.22 1ke6 n ASN 3 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1ke6 s PHE 4 N -1.89 1.61 -0.39 3.10 0.40 -1.24 0.14 117.98 119.69 1ke6 s PHE 4 Ca 0.32 -0.36 -0.06 0.00 -0.60 0.00 0.00 56.93 56.23 1ke6 s PHE 4 Cb 0.16 -0.96 0.08 0.00 0.51 0.00 0.00 43.02 42.82 1ke6 s PHE 4 CO 0.26 0.07 0.20 -1.14 0.70 0.00 0.00 175.22 175.30 1ke6 s GLN 5 N -1.14 2.36 -0.07 0.44 0.74 -0.45 -4.91 119.66 116.63 1ke6 s GLN 5 Ca 0.05 -1.56 -0.29 0.00 0.05 0.00 0.00 55.36 53.61 1ke6 s GLN 5 Cb -0.08 -3.61 -0.06 0.00 1.10 0.00 0.00 33.01 30.36 1ke6 s GLN 5 CO 0.02 -0.94 1.82 0.15 -0.55 0.00 0.00 175.29 175.79 1ke6 s LYS 6 N 1.29 3.98 -0.14 1.67 1.02 -1.26 -1.92 119.74 124.38 1ke6 s LYS 6 Ca 0.03 2.23 -0.10 0.00 0.02 0.00 0.00 55.97 58.16 1ke6 s LYS 6 Cb -0.22 -4.10 -0.06 0.00 -0.52 0.00 0.00 37.83 32.92 1ke6 s LYS 6 CO -0.01 -1.11 0.02 0.28 -0.92 0.00 0.00 175.35 173.61 1ke6 h VAL 7 N 5.87 0.28 -3.58 3.17 2.07 -0.82 -3.49 116.25 119.76 1ke6 h VAL 7 Ca -0.42 -1.27 -0.09 0.00 0.82 0.00 0.00 66.70 65.74 1ke6 h VAL 7 Cb 1.20 0.59 -0.15 0.00 -1.52 0.00 0.00 31.29 31.41 1ke6 h VAL 7 CO 0.96 0.09 -0.30 -1.61 0.02 0.00 0.00 177.57 176.73 1ke6 s GLU 8 N -2.03 0.84 -0.23 1.57 2.02 -1.17 -4.98 118.70 114.72 1ke6 s GLU 8 Ca -0.12 -0.75 -0.23 0.00 0.02 0.00 0.00 54.97 53.88 1ke6 s GLU 8 Cb 0.01 0.35 -0.01 0.00 0.10 0.00 0.00 34.13 34.59 1ke6 s GLU 8 CO 0.24 -0.28 0.76 0.21 0.02 0.00 0.00 175.26 176.21 1ke6 s LYS 9 N -3.31 4.19 0.34 1.61 2.36 -1.26 -0.60 119.74 123.07 1ke6 s LYS 9 Ca 0.01 0.82 0.23 0.00 -2.55 0.00 0.00 55.97 54.48 1ke6 s LYS 9 Cb 0.02 -3.63 0.23 0.00 -1.05 0.00 0.00 37.83 33.40 1ke6 s LYS 9 CO -0.08 -0.43 1.40 0.82 1.55 0.00 0.00 175.35 178.62 1ke6 h ILE 10 N 5.35 0.00 0.00 5.43 2.04 -0.62 -3.47 117.51 126.24 1ke6 h ILE 10 Ca -0.26 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1ke6 h ILE 10 Cb 1.11 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 1ke6 h ILE 10 CO 0.83 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.59 1ke6 n GLY 11 N 1.14 4.72 3.74 5.37 0.00 -1.14 -4.97 105.19 114.05 1ke6 n GLY 11 Ca 0.03 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1ke6 n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ke6 s GLU 12 N -4.30 4.74 0.14 1.61 8.01 -1.26 -1.85 118.70 125.79 1ke6 s GLU 12 Ca 0.00 1.52 0.01 0.00 0.01 0.00 0.00 54.97 56.50 1ke6 s GLU 12 Cb 0.00 -3.32 0.01 0.00 -4.31 0.00 0.00 34.13 26.50 1ke6 s GLU 12 CO 0.00 0.30 0.05 0.41 0.01 0.00 0.00 175.26 176.03 1ke6 n GLY 13 N 1.92 3.58 0.28 -1.39 0.00 0.32 -4.96 105.19 104.93 1ke6 n GLY 13 Ca 0.01 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 43.70 1ke6 n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ke6 h THR 14 N 0.85 1.27 -0.25 2.61 2.02 -2.02 -3.24 112.91 114.15 1ke6 h THR 14 Ca -0.11 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.74 1ke6 h THR 14 Cb 0.35 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1ke6 h THR 14 CO 0.17 0.46 0.00 -1.22 0.37 0.00 0.00 175.52 175.30 1ke6 n TYR 15 N -4.12 0.33 0.00 3.16 4.02 -1.26 -4.99 117.16 114.30 1ke6 n TYR 15 Ca 0.00 -0.28 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 1ke6 n TYR 15 Cb 0.43 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 1ke6 n TYR 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ke6 n GLY 16 N 0.79 -0.61 3.84 2.72 0.00 -1.22 0.44 105.19 111.15 1ke6 n GLY 16 Ca 0.12 -1.35 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 1ke6 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ke6 s VAL 17 N -1.94 5.01 -0.11 1.61 1.01 -1.11 0.12 120.40 124.98 1ke6 s VAL 17 Ca 0.00 0.75 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1ke6 s VAL 17 Cb 0.00 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1ke6 s VAL 17 CO 0.00 0.46 -0.14 -0.69 0.00 0.00 0.00 175.10 174.73 1ke6 s VAL 18 N -1.21 2.99 0.09 2.92 1.01 -0.77 -1.32 120.40 124.11 1ke6 s VAL 18 Ca 0.28 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1ke6 s VAL 18 Cb -0.16 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1ke6 s VAL 18 CO 0.16 0.54 -0.22 -0.31 0.00 0.00 0.00 175.10 175.27 1ke6 s TYR 19 N 0.11 1.85 -0.06 5.22 1.51 0.90 0.16 117.35 127.03 1ke6 s TYR 19 Ca -0.06 -0.40 -0.24 0.00 -1.01 0.00 0.00 57.07 55.35 1ke6 s TYR 19 Cb -0.15 -1.03 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1ke6 s TYR 19 CO 0.05 0.19 0.73 0.21 -1.11 0.00 0.00 175.55 175.62 1ke6 s LYS 20 N -1.75 4.44 0.06 -0.62 2.20 0.24 0.44 119.74 124.75 1ke6 s LYS 20 Ca 0.07 0.93 -0.01 0.00 -0.36 0.00 0.00 55.97 56.60 1ke6 s LYS 20 Cb -0.10 -3.45 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1ke6 s LYS 20 CO 0.04 0.04 -0.01 0.00 -0.36 0.00 0.00 175.35 175.05 1ke6 s ALA 21 N 0.87 0.56 -0.13 3.13 0.00 0.24 -0.04 121.76 126.39 1ke6 s ALA 21 Ca 0.39 -1.25 0.01 0.00 0.00 0.00 0.00 51.96 51.11 1ke6 s ALA 21 Cb -0.18 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 1ke6 s ALA 21 CO 0.19 -0.39 -0.16 0.50 0.00 0.00 0.00 175.76 175.90 1ke6 s ARG 22 N -3.94 3.26 -0.45 0.00 3.52 -0.81 -0.29 118.95 120.25 1ke6 s ARG 22 Ca 0.10 -0.74 -0.28 0.00 -0.13 0.00 0.00 55.73 54.68 1ke6 s ARG 22 Cb 0.08 -2.57 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 1ke6 s ARG 22 CO -0.08 0.14 1.72 1.21 -0.81 0.00 0.00 175.30 177.48 1ke6 s ASN 23 N 0.51 5.80 0.22 -2.12 3.84 -0.10 -1.34 114.94 121.73 1ke6 s ASN 23 Ca -0.11 0.85 0.08 0.00 0.21 0.00 0.00 52.86 53.89 1ke6 s ASN 23 Cb -0.16 -2.53 0.43 0.00 -0.55 0.00 0.00 41.25 38.44 1ke6 s ASN 23 CO 0.04 -1.87 1.08 0.29 -2.79 0.00 0.00 177.10 173.86 1ke6 n LYS 24 N 8.62 0.06 0.00 0.43 5.02 0.12 0.09 118.16 132.50 1ke6 n LYS 24 Ca 0.20 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1ke6 n LYS 24 Cb 0.49 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1ke6 n LYS 24 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1ke6 n LEU 25 N -1.77 0.00 0.30 -0.35 7.94 -1.26 -4.68 117.00 117.18 1ke6 n LEU 25 Ca -0.01 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.05 1ke6 n LEU 25 Cb 0.32 -0.17 0.93 0.00 0.53 0.00 0.00 43.42 45.02 1ke6 n LEU 25 CO 0.03 -0.18 1.13 0.71 -1.11 0.00 0.00 177.39 177.97 1ke6 h THR 26 N 0.00 0.51 0.00 1.96 1.35 -1.94 -3.45 112.91 111.33 1ke6 h THR 26 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1ke6 h THR 26 Cb 0.00 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1ke6 h THR 26 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1ke6 n GLY 27 N -1.30 1.12 3.78 5.82 0.00 0.11 -5.01 105.19 109.72 1ke6 n GLY 27 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1ke6 n GLY 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ke6 s GLU 28 N -0.09 3.68 -0.16 1.61 -1.05 -1.26 -4.63 118.70 116.80 1ke6 s GLU 28 Ca 0.00 1.58 -0.16 0.00 -0.15 0.00 0.00 54.97 56.24 1ke6 s GLU 28 Cb 0.00 -2.20 -0.04 0.00 -0.44 0.00 0.00 34.13 31.44 1ke6 s GLU 28 CO 0.00 -0.57 0.39 0.08 0.95 0.00 0.00 175.26 176.11 1ke6 s VAL 29 N -1.75 5.23 0.32 1.83 1.01 -1.26 -0.92 120.40 124.86 1ke6 s VAL 29 Ca 0.67 0.74 0.05 0.00 0.00 0.00 0.00 61.98 63.43 1ke6 s VAL 29 Cb -0.23 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1ke6 s VAL 29 CO 0.27 0.32 0.20 0.68 0.00 0.00 0.00 175.10 176.57 1ke6 s VAL 30 N 0.84 0.20 -0.31 2.92 -7.23 0.60 -4.32 120.40 113.09 1ke6 s VAL 30 Ca 0.20 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.31 1ke6 s VAL 30 Cb -0.14 -2.48 0.02 0.00 0.56 0.00 0.00 36.38 34.34 1ke6 s VAL 30 CO 0.07 0.00 0.09 0.00 -0.31 0.00 0.00 175.10 174.96 1ke6 s ALA 31 N -3.53 3.07 -0.29 1.32 0.00 -0.23 -0.59 121.76 121.50 1ke6 s ALA 31 Ca 0.36 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 1ke6 s ALA 31 Cb 0.04 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 1ke6 s ALA 31 CO 0.21 -1.08 0.24 -1.17 0.00 0.00 0.00 175.76 173.95 1ke6 s LEU 32 N 1.47 4.11 -0.26 0.00 2.96 0.17 -0.65 118.68 126.48 1ke6 s LEU 32 Ca 0.01 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.84 1ke6 s LEU 32 Cb -0.18 -2.18 0.00 0.00 0.50 0.00 0.00 46.19 44.33 1ke6 s LEU 32 CO 0.03 -0.11 0.02 -0.75 -1.32 0.00 0.00 176.35 174.22 1ke6 s LYS 33 N 1.82 3.16 -0.40 1.98 2.20 0.48 -0.07 119.74 128.91 1ke6 s LYS 33 Ca 0.08 -0.79 -0.21 0.00 -0.36 0.00 0.00 55.97 54.70 1ke6 s LYS 33 Cb -0.16 -3.21 0.01 0.00 -1.51 0.00 0.00 37.83 32.96 1ke6 s LYS 33 CO 0.11 -0.35 0.64 0.21 -0.36 0.00 0.00 175.35 175.60 1ke6 s LYS 34 N 1.47 3.48 -0.08 4.03 2.20 -0.44 -0.30 119.74 130.11 1ke6 s LYS 34 Ca 0.03 -0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 55.18 1ke6 s LYS 34 Cb -0.16 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.24 1ke6 s LYS 34 CO -0.00 -0.88 1.40 0.42 -0.36 0.00 0.00 175.35 175.93 1ke6 s ILE 35 N 2.78 3.93 -0.83 5.43 -1.09 -0.60 -2.76 121.20 128.05 1ke6 s ILE 35 Ca 0.24 1.20 -0.06 0.00 -2.23 0.00 0.00 60.65 59.79 1ke6 s ILE 35 Cb -0.14 -3.77 -0.09 0.00 -1.58 0.00 0.00 42.46 36.88 1ke6 s ILE 35 CO 0.17 -0.07 2.40 -2.11 -1.23 0.00 0.00 174.94 174.11 1ke6 n ARG 36 N 6.27 2.23 -3.59 2.79 1.85 0.17 -4.67 116.66 121.70 1ke6 n ARG 36 Ca 0.14 -1.41 -0.13 0.00 -1.00 0.00 0.00 57.85 55.45 1ke6 n ARG 36 Cb 0.44 -2.37 -0.12 0.00 -1.05 0.00 0.00 32.46 29.36 1ke6 n ARG 36 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1ke6 s VAL 44 N 2.73 -0.46 0.23 8.89 1.01 -1.26 -5.07 120.40 126.47 1ke6 s VAL 44 Ca 0.47 0.15 -0.32 0.00 0.00 0.00 0.00 61.98 62.28 1ke6 s VAL 44 Cb 0.14 -0.56 -0.13 0.00 0.00 0.00 0.00 36.38 35.83 1ke6 s VAL 44 CO -0.03 0.03 1.49 -2.65 0.00 0.00 0.00 175.10 173.94 1ke6 n PRO 45 N 5.35 2.19 -0.04 2.72 -0.02 -1.26 -4.89 135.00 139.06 1ke6 n PRO 45 Ca -0.06 0.78 0.04 0.00 -2.02 0.00 0.00 63.50 62.24 1ke6 n PRO 45 Cb 0.50 -2.50 0.40 0.00 -0.02 0.00 0.00 33.50 31.88 1ke6 n PRO 45 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1ke6 h SER 46 N 4.85 0.53 -0.46 2.55 0.02 -2.00 -1.83 113.55 117.21 1ke6 h SER 46 Ca -0.45 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 1ke6 h SER 46 Cb 1.26 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 1ke6 h SER 46 CO 0.80 0.38 0.15 0.71 -1.14 0.00 0.00 176.83 177.73 1ke6 h THR 47 N 0.62 1.21 -0.30 -2.27 1.35 -1.93 -2.10 112.91 109.49 1ke6 h THR 47 Ca 0.18 -0.73 -0.05 0.00 -0.55 0.00 0.00 66.41 65.26 1ke6 h THR 47 Cb -0.03 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 67.04 1ke6 h THR 47 CO -0.04 0.28 -0.00 0.00 -0.25 0.00 0.00 175.52 175.50 1ke6 h ALA 48 N 1.41 0.40 -0.57 6.62 0.00 -1.46 -1.37 119.26 124.29 1ke6 h ALA 48 Ca 0.17 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ke6 h ALA 48 Cb 0.24 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1ke6 h ALA 48 CO -0.01 0.15 0.30 0.82 0.00 0.00 0.00 179.25 180.51 1ke6 h ILE 49 N 0.32 0.95 -0.11 0.00 1.08 -1.19 0.69 117.51 119.25 1ke6 h ILE 49 Ca 0.08 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 64.34 1ke6 h ILE 49 Cb 0.44 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1ke6 h ILE 49 CO 0.02 0.10 0.01 0.03 -0.69 0.00 0.00 178.15 177.62 1ke6 h ARG 50 N 0.56 0.19 -0.91 2.37 3.08 -1.27 -1.34 114.38 117.07 1ke6 h ARG 50 Ca 0.26 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.27 1ke6 h ARG 50 Cb 0.16 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 1ke6 h ARG 50 CO -0.17 0.42 0.60 0.93 -1.07 0.00 0.00 179.97 180.67 1ke6 h GLU 51 N -0.07 1.17 -0.45 0.04 4.39 -0.94 -2.22 114.58 116.50 1ke6 h GLU 51 Ca 0.03 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 1ke6 h GLU 51 Cb 0.33 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1ke6 h GLU 51 CO 0.00 0.77 0.03 0.82 -1.16 0.00 0.00 179.01 179.47 1ke6 h ILE 52 N 1.20 1.26 -0.95 3.13 1.08 -0.81 -3.00 117.51 119.42 1ke6 h ILE 52 Ca 0.34 -0.99 0.13 0.00 -0.39 0.00 0.00 64.86 63.96 1ke6 h ILE 52 Cb -0.10 1.02 -0.08 0.00 -3.07 0.00 0.00 36.82 34.59 1ke6 h ILE 52 CO -0.09 0.34 0.60 0.28 -0.69 0.00 0.00 178.15 178.60 1ke6 h SER 53 N 0.62 0.79 0.62 1.72 0.02 -0.65 0.74 113.55 117.42 1ke6 h SER 53 Ca 0.13 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1ke6 h SER 53 Cb 0.45 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1ke6 h SER 53 CO 0.02 0.41 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.91 1ke6 h LEU 54 N 0.84 0.00 -0.64 5.07 3.38 -1.31 -3.03 115.31 119.63 1ke6 h LEU 54 Ca 0.48 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.32 1ke6 h LEU 54 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1ke6 h LEU 54 CO -0.24 0.13 -0.59 -0.07 0.09 0.00 0.00 178.44 177.76 1ke6 h LEU 55 N 0.00 0.00 0.00 1.67 3.38 -0.84 -3.11 115.31 116.41 1ke6 h LEU 55 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ke6 h LEU 55 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1ke6 h LEU 55 CO 0.02 0.59 0.00 2.29 0.09 0.00 0.00 178.44 181.43 1ke6 n LYS 56 N -3.60 0.52 0.00 1.13 2.85 -1.14 -1.62 118.16 116.30 1ke6 n LYS 56 Ca -0.00 0.04 0.10 0.00 -1.05 0.00 0.00 58.31 57.39 1ke6 n LYS 56 Cb 0.64 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.43 1ke6 n LYS 56 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ke6 n GLU 57 N -1.14 0.48 -2.67 -1.58 -0.58 -1.17 -4.78 120.64 109.19 1ke6 n GLU 57 Ca 0.14 -0.24 -0.42 0.00 -0.42 0.00 0.00 57.16 56.23 1ke6 n GLU 57 Cb 0.13 -1.46 -0.03 0.00 -0.57 0.00 0.00 31.44 29.50 1ke6 n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1ke6 s LEU 58 N -2.84 3.83 -0.13 -4.62 2.96 -0.64 -4.99 118.68 112.26 1ke6 s LEU 58 Ca 0.10 -1.27 -0.00 0.00 -0.22 0.00 0.00 54.13 52.74 1ke6 s LEU 58 Cb 0.16 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.32 1ke6 s LEU 58 CO 0.77 -1.49 -0.13 0.20 -1.32 0.00 0.00 176.35 174.38 1ke6 s ASN 59 N 4.26 4.03 -0.15 3.68 0.01 -1.26 -4.83 114.94 120.68 1ke6 s ASN 59 Ca 0.38 -0.32 -0.27 0.00 -0.71 0.00 0.00 52.86 51.93 1ke6 s ASN 59 Cb -0.05 -1.62 0.07 0.00 0.41 0.00 0.00 41.25 40.06 1ke6 s ASN 59 CO -0.01 0.16 0.68 -2.28 -1.51 0.00 0.00 177.10 174.14 1ke6 s HIS 60 N 0.35 -0.70 0.52 2.20 2.46 -1.26 -5.05 115.29 113.82 1ke6 s HIS 60 Ca -0.11 1.47 0.40 0.00 0.47 0.00 0.00 55.06 57.29 1ke6 s HIS 60 Cb -0.16 0.33 2.18 0.00 -0.13 0.00 0.00 32.58 34.81 1ke6 s HIS 60 CO 0.06 -0.49 2.23 -1.00 -2.47 0.00 0.00 174.74 173.06 1ke6 h PRO 61 N 3.98 0.00 -0.34 2.88 0.13 -1.99 -2.33 132.00 134.32 1ke6 h PRO 61 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1ke6 h PRO 61 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1ke6 h PRO 61 CO 0.23 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.09 1ke6 n ASN 62 N -2.93 3.97 -4.22 1.44 4.13 -1.26 -4.87 115.26 111.52 1ke6 n ASN 62 Ca -0.03 -2.76 -0.30 0.00 1.68 0.00 0.00 54.58 53.18 1ke6 n ASN 62 Cb 0.08 -0.50 -0.16 0.00 -1.54 0.00 0.00 39.78 37.66 1ke6 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ke6 s ILE 63 N -2.37 1.86 -0.07 2.41 -1.09 -0.88 -1.15 121.20 119.91 1ke6 s ILE 63 Ca 0.40 -0.95 -0.30 0.00 -2.23 0.00 0.00 60.65 57.58 1ke6 s ILE 63 Cb 0.30 -1.59 -0.05 0.00 -1.58 0.00 0.00 42.46 39.54 1ke6 s ILE 63 CO 0.12 0.52 1.64 -0.69 -1.23 0.00 0.00 174.94 175.30 1ke6 s VAL 64 N 0.01 3.61 0.09 2.92 1.01 -0.01 -4.65 120.40 123.38 1ke6 s VAL 64 Ca -0.07 0.74 -0.31 0.00 0.00 0.00 0.00 61.98 62.34 1ke6 s VAL 64 Cb -0.14 -3.49 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 1ke6 s VAL 64 CO 0.04 -0.08 1.51 -0.75 0.00 0.00 0.00 175.10 175.83 1ke6 s LYS 65 N 4.07 4.25 -0.56 2.72 2.47 -1.26 -4.87 119.74 126.56 1ke6 s LYS 65 Ca 0.73 2.20 -0.23 0.00 -1.56 0.00 0.00 55.97 57.11 1ke6 s LYS 65 Cb -0.32 -3.39 0.05 0.00 -1.46 0.00 0.00 37.83 32.71 1ke6 s LYS 65 CO 0.29 -0.59 0.88 -1.17 0.16 0.00 0.00 175.35 174.92 1ke6 s LEU 66 N 1.80 4.35 0.01 5.43 2.96 -1.26 -1.25 118.68 130.72 1ke6 s LEU 66 Ca 0.69 -0.61 -0.21 0.00 -0.22 0.00 0.00 54.13 53.78 1ke6 s LEU 66 Cb -0.38 -2.66 -0.18 0.00 0.50 0.00 0.00 46.19 43.46 1ke6 s LEU 66 CO 0.30 -1.20 1.21 -0.07 -1.32 0.00 0.00 176.35 175.27 1ke6 h LEU 67 N 10.78 0.39 -7.59 -0.68 3.38 -0.61 -3.43 115.31 117.56 1ke6 h LEU 67 Ca -0.27 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.04 1ke6 h LEU 67 Cb 1.08 -0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.59 1ke6 h LEU 67 CO 1.08 0.94 -0.08 -1.81 0.09 0.00 0.00 178.44 178.67 1ke6 s ASP 68 N -6.33 -0.20 -0.16 -0.43 -0.00 -1.04 -5.01 116.67 103.51 1ke6 s ASP 68 Ca -0.14 -0.45 -0.00 0.00 -0.00 0.00 0.00 52.55 51.96 1ke6 s ASP 68 Cb 0.04 0.50 0.04 0.00 -0.00 0.00 0.00 42.92 43.49 1ke6 s ASP 68 CO 0.77 -0.92 -0.08 -0.69 -0.00 0.00 0.00 175.17 174.25 1ke6 s VAL 69 N -3.85 1.27 -0.33 -1.27 1.01 -1.26 -1.40 120.40 114.56 1ke6 s VAL 69 Ca 0.07 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.33 1ke6 s VAL 69 Cb 0.01 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1ke6 s VAL 69 CO -0.07 0.23 0.14 -0.63 0.00 0.00 0.00 175.10 174.77 1ke6 s ILE 70 N 1.58 4.20 -0.46 2.22 1.01 -0.12 -4.99 121.20 124.65 1ke6 s ILE 70 Ca 0.02 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1ke6 s ILE 70 Cb -0.15 -3.28 0.12 0.00 0.01 0.00 0.00 42.46 39.17 1ke6 s ILE 70 CO -0.08 -0.09 0.20 -2.28 0.00 0.00 0.00 174.94 172.69 1ke6 s HIS 71 N 1.51 3.47 0.02 3.97 2.46 -1.26 -0.66 115.29 124.81 1ke6 s HIS 71 Ca 0.02 -2.97 0.01 0.00 0.47 0.00 0.00 55.06 52.58 1ke6 s HIS 71 Cb -0.18 -2.96 -0.02 0.00 -0.13 0.00 0.00 32.58 29.29 1ke6 s HIS 71 CO 0.04 -0.86 -0.04 0.95 -2.47 0.00 0.00 174.74 172.37 1ke6 s THR 72 N 0.33 0.21 -1.51 0.89 -4.23 -0.87 -4.83 115.64 105.63 1ke6 s THR 72 Ca 0.14 -0.93 -0.13 0.00 -1.18 0.00 0.00 61.69 59.59 1ke6 s THR 72 Cb -0.22 -0.34 0.09 0.00 1.34 0.00 0.00 72.50 73.37 1ke6 s THR 72 CO -0.04 -0.46 0.82 -0.62 -0.54 0.00 0.00 174.62 173.79 1ke6 n GLU 73 N 1.60 -4.63 -1.94 3.99 1.02 -1.26 -0.50 120.64 118.92 1ke6 n GLU 73 Ca -0.23 0.55 -0.19 0.00 -0.02 0.00 0.00 57.16 57.26 1ke6 n GLU 73 Cb 0.55 -5.38 -0.05 0.00 -0.02 0.00 0.00 31.44 26.54 1ke6 n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ke6 n ASN 74 N -2.66 -5.27 -4.52 1.62 3.02 -1.26 -4.97 115.26 101.22 1ke6 n ASN 74 Ca 0.03 0.27 -0.25 0.00 -0.03 0.00 0.00 54.58 54.60 1ke6 n ASN 74 Cb 0.53 -4.55 -0.10 0.00 -0.61 0.00 0.00 39.78 35.04 1ke6 n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ke6 s LYS 75 N -4.26 1.86 -0.11 3.52 1.02 0.34 -4.46 119.74 117.64 1ke6 s LYS 75 Ca 0.00 -1.49 0.01 0.00 0.02 0.00 0.00 55.97 54.50 1ke6 s LYS 75 Cb 0.00 -1.97 0.02 0.00 -0.52 0.00 0.00 37.83 35.36 1ke6 s LYS 75 CO 0.00 0.39 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.53 1ke6 s LEU 76 N -3.11 1.50 -0.04 3.17 2.96 -1.26 -2.05 118.68 119.85 1ke6 s LEU 76 Ca 0.26 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 53.86 1ke6 s LEU 76 Cb -0.07 -0.98 -0.01 0.00 0.50 0.00 0.00 46.19 45.63 1ke6 s LEU 76 CO 0.15 -0.05 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.60 1ke6 s TYR 77 N 1.31 2.08 -0.14 5.38 2.02 0.17 -1.56 117.35 126.61 1ke6 s TYR 77 Ca -0.01 -0.51 -0.01 0.00 -0.37 0.00 0.00 57.07 56.17 1ke6 s TYR 77 Cb -0.14 -1.36 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 1ke6 s TYR 77 CO -0.05 -0.12 -0.11 -0.51 -1.57 0.00 0.00 175.55 173.18 1ke6 s LEU 78 N -0.29 2.79 -0.30 -1.29 1.43 0.59 -0.95 118.68 120.66 1ke6 s LEU 78 Ca 0.02 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1ke6 s LEU 78 Cb -0.11 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.47 1ke6 s LEU 78 CO 0.01 0.15 0.12 -0.69 0.23 0.00 0.00 176.35 176.17 1ke6 s VAL 79 N 0.45 4.37 0.30 -1.59 1.01 -0.49 -0.39 120.40 124.07 1ke6 s VAL 79 Ca -0.09 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.51 1ke6 s VAL 79 Cb -0.16 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1ke6 s VAL 79 CO 0.04 0.10 0.05 -0.36 0.00 0.00 0.00 175.10 174.94 1ke6 s PHE 80 N 1.58 2.68 0.61 5.22 0.40 0.18 0.16 117.98 128.80 1ke6 s PHE 80 Ca 0.04 -0.31 -0.17 0.00 -0.60 0.00 0.00 56.93 55.89 1ke6 s PHE 80 Cb -0.17 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 41.94 1ke6 s PHE 80 CO 0.05 0.50 1.12 -1.83 0.70 0.00 0.00 175.22 175.76 1ke6 s GLU 81 N -3.74 3.01 -0.12 0.44 -1.05 -0.38 -1.06 118.70 115.80 1ke6 s GLU 81 Ca 0.34 1.50 -0.04 0.00 -0.15 0.00 0.00 54.97 56.62 1ke6 s GLU 81 Cb -0.04 -1.97 -0.04 0.00 -0.44 0.00 0.00 34.13 31.64 1ke6 s GLU 81 CO 0.21 -1.10 0.03 0.12 0.95 0.00 0.00 175.26 175.47 1ke6 s PHE 82 N -2.08 3.23 0.02 4.83 5.36 -1.26 -4.39 117.98 123.69 1ke6 s PHE 82 Ca 0.70 0.16 0.05 0.00 -0.96 0.00 0.00 56.93 56.88 1ke6 s PHE 82 Cb -0.22 -1.90 -0.02 0.00 -0.34 0.00 0.00 43.02 40.54 1ke6 s PHE 82 CO 0.35 0.38 -0.16 -0.51 -1.46 0.00 0.00 175.22 173.82 1ke6 s LEU 83 N -0.46 2.12 0.50 6.12 1.02 -1.26 -5.01 118.68 121.71 1ke6 s LEU 83 Ca 0.09 -0.41 0.31 0.00 0.02 0.00 0.00 54.13 54.14 1ke6 s LEU 83 Cb -0.12 -0.76 1.11 0.00 0.02 0.00 0.00 46.19 46.43 1ke6 s LEU 83 CO 0.02 0.12 1.88 0.45 0.02 0.00 0.00 176.35 178.84 1ke6 h HIS 84 N 5.21 0.00 -3.16 0.29 3.86 -2.00 -3.47 115.15 115.88 1ke6 h HIS 84 Ca -0.38 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.71 1ke6 h HIS 84 Cb 1.17 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.44 1ke6 h HIS 84 CO 0.48 0.00 -0.29 -1.14 0.86 0.00 0.00 177.93 177.83 1ke6 s GLN 85 N -3.54 0.69 0.30 2.45 0.74 -1.24 -5.07 119.66 114.00 1ke6 s GLN 85 Ca 0.03 -0.31 0.07 0.00 0.05 0.00 0.00 55.36 55.20 1ke6 s GLN 85 Cb 0.08 0.30 -0.03 0.00 1.10 0.00 0.00 33.01 34.47 1ke6 s GLN 85 CO 0.56 -0.20 0.32 0.16 -0.55 0.00 0.00 175.29 175.58 1ke6 s ASP 86 N -1.55 5.65 0.32 6.67 1.47 -1.26 -1.08 116.67 126.89 1ke6 s ASP 86 Ca -0.11 -0.28 0.00 0.00 1.18 0.00 0.00 52.55 53.34 1ke6 s ASP 86 Cb -0.04 -1.28 0.53 0.00 -0.34 0.00 0.00 42.92 41.79 1ke6 s ASP 86 CO 0.02 -0.24 1.95 0.25 0.68 0.00 0.00 175.17 177.82 1ke6 h LEU 87 N 1.22 0.78 -0.24 2.11 5.85 -0.21 -2.31 115.31 122.52 1ke6 h LEU 87 Ca -0.47 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.24 1ke6 h LEU 87 Cb 1.25 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 1ke6 h LEU 87 CO 0.58 0.62 -0.00 0.50 -0.34 0.00 0.00 178.44 179.80 1ke6 h LYS 88 N 0.89 0.07 -0.67 1.25 1.63 -1.81 0.22 116.57 118.14 1ke6 h LYS 88 Ca 0.23 -0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 1ke6 h LYS 88 Cb 0.01 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1ke6 h LYS 88 CO -0.04 0.04 0.25 -0.22 -3.45 0.00 0.00 179.45 176.04 1ke6 h LYS 89 N 0.07 1.00 -0.62 1.90 1.63 -1.84 -1.75 116.57 116.95 1ke6 h LYS 89 Ca 0.11 -0.17 -0.09 0.00 -0.85 0.00 0.00 60.65 59.65 1ke6 h LYS 89 Cb 0.15 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 1ke6 h LYS 89 CO -0.19 0.82 0.05 0.35 -3.45 0.00 0.00 179.45 177.03 1ke6 h PHE 90 N 0.98 1.15 -0.64 1.91 -0.00 -0.80 -1.80 116.94 117.74 1ke6 h PHE 90 Ca 0.23 -0.18 -0.06 0.00 -0.00 0.00 0.00 57.97 57.96 1ke6 h PHE 90 Cb 0.21 -0.31 -0.03 0.00 -0.00 0.00 0.00 35.95 35.83 1ke6 h PHE 90 CO 0.02 0.99 0.18 0.52 -0.00 0.00 0.00 178.31 180.02 1ke6 h MET 91 N 0.97 1.00 -0.15 1.11 2.86 -0.16 -1.53 114.93 119.02 1ke6 h MET 91 Ca 0.18 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1ke6 h MET 91 Cb 0.50 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1ke6 h MET 91 CO 0.02 0.89 0.10 -0.44 1.06 0.00 0.00 176.91 178.55 1ke6 h ASP 92 N 0.93 0.18 0.27 1.22 3.45 -1.16 0.08 116.42 121.39 1ke6 h ASP 92 Ca 0.20 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.65 1ke6 h ASP 92 Cb 0.32 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 39.05 1ke6 h ASP 92 CO -0.00 0.14 -0.01 0.00 -1.57 0.00 0.00 179.24 177.79 1ke6 h ALA 93 N 1.05 1.07 -0.35 3.45 0.00 -1.06 -1.98 119.26 121.44 1ke6 h ALA 93 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ke6 h ALA 93 Cb -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ke6 h ALA 93 CO -0.01 0.02 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1ke6 n SER 94 N -3.20 2.97 -0.31 0.00 7.64 -0.60 -4.70 113.62 115.43 1ke6 n SER 94 Ca -0.02 -1.90 0.12 0.00 1.01 0.00 0.00 58.87 58.08 1ke6 n SER 94 Cb 0.14 -0.23 0.30 0.00 -1.01 0.00 0.00 64.21 63.41 1ke6 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ke6 h ALA 95 N 2.74 1.44 -0.46 -0.43 0.00 -0.21 1.62 119.26 123.96 1ke6 h ALA 95 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1ke6 h ALA 95 Cb 0.76 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1ke6 h ALA 95 CO 0.00 -0.28 -0.24 -0.07 0.00 0.00 0.00 179.25 178.66 1ke6 h LEU 96 N 0.46 1.00 0.00 0.00 3.38 -1.84 -3.34 115.31 114.98 1ke6 h LEU 96 Ca 0.55 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1ke6 h LEU 96 Cb 0.99 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1ke6 h LEU 96 CO -0.49 1.19 -1.61 1.07 0.09 0.00 0.00 178.44 178.68 1ke6 n THR 97 N -4.12 0.00 -0.02 0.22 5.66 -0.97 -5.12 114.28 109.93 1ke6 n THR 97 Ca -0.00 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.67 1ke6 n THR 97 Cb 0.47 0.22 -0.00 0.00 -1.55 0.00 0.00 70.33 69.47 1ke6 n THR 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ke6 n GLY 98 N 1.62 -2.65 3.73 1.09 0.00 0.55 -4.86 105.19 104.66 1ke6 n GLY 98 Ca -0.02 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1ke6 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ke6 s ILE 99 N -3.12 4.65 0.28 -0.61 1.01 -1.26 -4.93 121.20 117.22 1ke6 s ILE 99 Ca 0.00 1.97 -0.30 0.00 0.00 0.00 0.00 60.65 62.33 1ke6 s ILE 99 Cb 0.00 -4.28 -0.13 0.00 0.01 0.00 0.00 42.46 38.06 1ke6 s ILE 99 CO 0.00 0.28 1.38 -2.65 0.00 0.00 0.00 174.94 173.95 1ke6 n PRO 100 N 3.10 2.12 -0.27 2.79 -0.02 -1.26 -4.77 135.00 136.70 1ke6 n PRO 100 Ca 0.02 0.75 0.07 0.00 -2.02 0.00 0.00 63.50 62.32 1ke6 n PRO 100 Cb 0.50 -2.39 0.21 0.00 -0.02 0.00 0.00 33.50 31.80 1ke6 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ke6 h LEU 101 N 3.64 0.21 -1.43 2.45 5.85 -1.99 0.03 115.31 124.07 1ke6 h LEU 101 Ca -0.45 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.46 1ke6 h LEU 101 Cb 1.27 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.39 1ke6 h LEU 101 CO 0.71 0.04 0.45 -0.65 -0.34 0.00 0.00 178.44 178.65 1ke6 h PRO 102 N 0.38 0.67 -0.14 5.25 0.11 -1.99 0.39 132.00 136.67 1ke6 h PRO 102 Ca 0.45 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.30 1ke6 h PRO 102 Cb 0.74 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.71 1ke6 h PRO 102 CO -0.46 0.44 -0.76 1.25 -0.21 0.00 0.00 178.00 178.26 1ke6 h LEU 103 N 0.69 0.81 -0.41 2.35 5.85 -1.38 -1.47 115.31 121.74 1ke6 h LEU 103 Ca 0.29 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 1ke6 h LEU 103 Cb 0.26 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1ke6 h LEU 103 CO -0.09 1.31 0.24 0.40 -0.34 0.00 0.00 178.44 179.96 1ke6 h ILE 104 N 0.47 1.15 -0.65 4.05 2.04 -0.41 -0.04 117.51 124.11 1ke6 h ILE 104 Ca -0.04 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1ke6 h ILE 104 Cb 1.37 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1ke6 h ILE 104 CO 0.15 0.15 0.29 0.50 0.00 0.00 0.00 178.15 179.24 1ke6 h LYS 105 N 0.54 0.95 -0.02 2.37 3.64 -0.89 -0.73 116.57 122.42 1ke6 h LYS 105 Ca 0.15 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ke6 h LYS 105 Cb 0.04 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1ke6 h LYS 105 CO -0.03 0.77 0.01 1.03 -2.27 0.00 0.00 179.45 178.97 1ke6 h SER 106 N 0.90 0.03 -0.55 4.20 0.87 -0.96 -0.64 113.55 117.40 1ke6 h SER 106 Ca 0.22 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1ke6 h SER 106 Cb 0.15 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 1ke6 h SER 106 CO -0.02 0.09 0.32 1.88 -0.53 0.00 0.00 176.83 178.57 1ke6 h TYR 107 N -0.03 0.73 -0.72 2.24 0.05 -0.79 -1.34 116.97 117.10 1ke6 h TYR 107 Ca 0.01 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1ke6 h TYR 107 Cb 0.07 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 1ke6 h TYR 107 CO -0.05 0.51 0.28 1.25 -1.05 0.00 0.00 178.16 179.10 1ke6 h LEU 108 N 0.74 1.00 -0.49 3.88 5.85 -1.04 -0.82 115.31 124.43 1ke6 h LEU 108 Ca 0.20 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ke6 h LEU 108 Cb 0.00 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1ke6 h LEU 108 CO -0.04 0.91 0.28 0.15 -0.34 0.00 0.00 178.44 179.41 1ke6 h PHE 109 N 1.04 0.67 -0.41 1.25 3.04 -0.73 -1.17 116.94 120.61 1ke6 h PHE 109 Ca 0.24 -0.01 -0.14 0.00 3.98 0.00 0.00 57.97 62.04 1ke6 h PHE 109 Cb 0.23 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.51 1ke6 h PHE 109 CO 0.02 0.48 -0.28 1.96 -2.02 0.00 0.00 178.31 178.46 1ke6 h GLN 110 N 0.66 0.89 -0.77 1.11 4.20 -1.04 -2.24 115.11 117.91 1ke6 h GLN 110 Ca 0.18 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 1ke6 h GLN 110 Cb 0.02 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1ke6 h GLN 110 CO -0.03 1.06 0.29 -0.07 -0.67 0.00 0.00 178.83 179.41 1ke6 h LEU 111 N 0.76 1.08 -1.11 1.46 3.38 -0.93 -1.23 115.31 118.72 1ke6 h LEU 111 Ca 0.09 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1ke6 h LEU 111 Cb 0.85 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1ke6 h LEU 111 CO 0.07 0.97 -0.17 -0.07 0.09 0.00 0.00 178.44 179.34 1ke6 h LEU 112 N 1.13 0.41 -0.41 1.67 3.38 -1.10 -0.05 115.31 120.33 1ke6 h LEU 112 Ca 0.26 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1ke6 h LEU 112 Cb 0.24 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1ke6 h LEU 112 CO -0.02 0.60 0.02 1.56 0.09 0.00 0.00 178.44 180.70 1ke6 h GLN 113 N 0.39 0.72 -0.51 1.13 4.20 -0.79 -0.17 115.11 120.07 1ke6 h GLN 113 Ca 0.07 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1ke6 h GLN 113 Cb 0.52 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 1ke6 h GLN 113 CO 0.03 0.79 0.27 0.78 -0.67 0.00 0.00 178.83 180.03 1ke6 h GLY 114 N 0.56 0.77 0.95 3.46 0.00 -0.77 -1.99 103.07 106.05 1ke6 h GLY 114 Ca 0.12 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1ke6 h GLY 114 CO 0.02 0.34 -0.00 1.41 0.00 0.00 0.00 176.54 178.31 1ke6 h LEU 115 N 0.68 0.70 -1.19 3.11 3.38 -0.88 -1.81 115.31 119.30 1ke6 h LEU 115 Ca 0.18 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.90 1ke6 h LEU 115 Cb 0.07 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1ke6 h LEU 115 CO -0.03 0.84 0.57 0.00 0.09 0.00 0.00 178.44 179.92 1ke6 h ALA 116 N 0.89 1.55 0.06 1.53 0.00 -0.88 0.48 119.26 122.88 1ke6 h ALA 116 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ke6 h ALA 116 Cb 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ke6 h ALA 116 CO 0.02 0.32 -0.03 0.35 0.00 0.00 0.00 179.25 179.92 1ke6 h PHE 117 N 0.98 -0.07 -0.45 0.00 3.04 -1.13 -1.68 116.94 117.63 1ke6 h PHE 117 Ca 0.38 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.31 1ke6 h PHE 117 Cb 0.21 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.72 1ke6 h PHE 117 CO -0.00 0.28 0.24 0.00 -2.02 0.00 0.00 178.31 176.82 1ke6 h HIS 119 N 0.59 0.47 -0.17 0.00 3.86 -0.06 -0.77 115.15 119.07 1ke6 h HIS 119 Ca 0.16 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 59.31 1ke6 h HIS 119 Cb 0.06 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1ke6 h HIS 119 CO -0.02 0.37 -0.09 0.77 0.86 0.00 0.00 177.93 179.83 1ke6 h SER 120 N 0.48 0.24 -0.45 2.45 0.02 -0.94 -1.34 113.55 114.01 1ke6 h SER 120 Ca 0.12 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1ke6 h SER 120 Cb 0.10 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1ke6 h SER 120 CO -0.01 0.37 0.00 1.41 -1.14 0.00 0.00 176.83 177.45 1ke6 n HIS 121 N -4.31 0.75 -3.13 3.45 8.25 -0.55 -4.92 115.22 114.76 1ke6 n HIS 121 Ca -0.00 -0.34 -0.22 0.00 -0.26 0.00 0.00 57.72 56.90 1ke6 n HIS 121 Cb 0.24 -0.06 0.05 0.00 1.12 0.00 0.00 29.99 31.33 1ke6 n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ke6 n ARG 122 N 0.79 -5.52 -4.06 -0.41 1.74 -0.50 -5.00 116.66 103.70 1ke6 n ARG 122 Ca 0.16 0.87 -0.35 0.00 -0.77 0.00 0.00 57.85 57.77 1ke6 n ARG 122 Cb 0.47 -5.73 -0.14 0.00 -1.02 0.00 0.00 32.46 26.05 1ke6 n ARG 122 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ke6 s VAL 123 N -3.20 3.26 0.23 1.55 1.01 -0.41 -5.01 120.40 117.83 1ke6 s VAL 123 Ca 0.36 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1ke6 s VAL 123 Cb -0.16 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1ke6 s VAL 123 CO 0.45 0.45 0.26 -0.76 0.00 0.00 0.00 175.10 175.50 1ke6 s LEU 124 N 1.26 4.05 -0.05 3.92 1.43 -1.26 -3.72 118.68 124.31 1ke6 s LEU 124 Ca 0.03 -0.08 -0.04 0.00 -1.03 0.00 0.00 54.13 53.01 1ke6 s LEU 124 Cb -0.14 -2.60 -0.01 0.00 0.03 0.00 0.00 46.19 43.47 1ke6 s LEU 124 CO -0.03 -0.04 -0.07 1.57 0.23 0.00 0.00 176.35 178.02 1ke6 n HIS 125 N -1.16 0.31 0.00 0.29 -0.00 -1.26 -2.93 115.22 110.47 1ke6 n HIS 125 Ca -0.08 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1ke6 n HIS 125 Cb 0.57 -0.42 0.00 0.00 -0.00 0.00 0.00 29.99 30.14 1ke6 n HIS 125 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1ke6 n ARG 126 N -3.14 0.00 -2.74 1.57 1.74 -1.26 -4.59 116.66 108.24 1ke6 n ARG 126 Ca -0.03 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.03 1ke6 n ARG 126 Cb 0.11 -0.45 0.08 0.00 -1.02 0.00 0.00 32.46 31.18 1ke6 n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ke6 n ASP 127 N 0.00 0.10 -4.77 0.55 2.03 -1.26 -5.03 116.55 108.16 1ke6 n ASP 127 Ca 0.00 -2.23 -0.41 0.00 0.52 0.00 0.00 54.79 52.68 1ke6 n ASP 127 Cb 0.00 0.09 -0.01 0.00 -0.72 0.00 0.00 41.12 40.48 1ke6 n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ke6 s LEU 128 N -3.77 4.38 0.06 -2.67 1.43 -1.26 -4.95 118.68 111.90 1ke6 s LEU 128 Ca 0.20 2.82 -0.26 0.00 -1.03 0.00 0.00 54.13 55.86 1ke6 s LEU 128 Cb 0.39 -3.65 0.09 0.00 0.03 0.00 0.00 46.19 43.05 1ke6 s LEU 128 CO -0.07 -0.69 0.76 -1.59 0.23 0.00 0.00 176.35 174.99 1ke6 s LYS 129 N -1.67 1.02 0.38 1.70 -2.85 -1.26 -4.81 119.74 112.25 1ke6 s LYS 129 Ca 0.52 -0.34 0.15 0.00 -1.00 0.00 0.00 55.97 55.31 1ke6 s LYS 129 Cb -0.43 0.47 1.02 0.00 -2.06 0.00 0.00 37.83 36.84 1ke6 s LYS 129 CO 0.55 -0.44 1.78 -1.35 0.10 0.00 0.00 175.35 176.00 1ke6 h PRO 130 N 2.06 0.46 0.00 1.78 0.11 -1.95 0.05 132.00 134.51 1ke6 h PRO 130 Ca -0.27 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 1ke6 h PRO 130 Cb 1.26 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ke6 h PRO 130 CO 0.34 0.30 -0.02 1.96 -0.21 0.00 0.00 178.00 180.37 1ke6 h GLN 131 N 0.47 0.00 -0.04 1.05 7.50 -1.96 -2.44 115.11 119.69 1ke6 h GLN 131 Ca 0.57 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.72 1ke6 h GLN 131 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.85 1ke6 h GLN 131 CO -0.30 0.02 0.00 0.09 -1.50 0.00 0.00 178.83 177.14 1ke6 n ASN 132 N -3.20 2.05 -4.41 1.46 3.02 0.00 -4.83 115.26 109.36 1ke6 n ASN 132 Ca -0.01 -1.69 -0.37 0.00 -0.03 0.00 0.00 54.58 52.48 1ke6 n ASN 132 Cb 0.19 -0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.22 1ke6 n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ke6 s LEU 133 N -1.95 3.53 -0.09 3.41 1.43 -0.93 -1.19 118.68 122.89 1ke6 s LEU 133 Ca 0.34 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1ke6 s LEU 133 Cb 0.20 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 1ke6 s LEU 133 CO 0.32 -0.08 -0.00 -0.76 0.23 0.00 0.00 176.35 176.05 1ke6 s LEU 134 N 1.57 3.56 0.20 1.79 1.43 -0.21 0.20 118.68 127.23 1ke6 s LEU 134 Ca 0.05 0.12 0.10 0.00 -1.03 0.00 0.00 54.13 53.37 1ke6 s LEU 134 Cb -0.16 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1ke6 s LEU 134 CO 0.03 0.35 -0.20 0.27 0.23 0.00 0.00 176.35 177.04 1ke6 s ILE 135 N -0.74 2.10 0.43 -0.59 -4.36 -0.24 0.42 121.20 118.22 1ke6 s ILE 135 Ca 0.12 -2.10 0.03 0.00 -0.26 0.00 0.00 60.65 58.44 1ke6 s ILE 135 Cb -0.12 -2.05 -0.02 0.00 1.25 0.00 0.00 42.46 41.53 1ke6 s ILE 135 CO 0.02 -0.32 0.11 0.54 0.24 0.00 0.00 174.94 175.54 1ke6 s ASN 136 N -2.94 3.02 0.52 4.36 2.20 -1.11 -3.61 114.94 117.39 1ke6 s ASN 136 Ca 0.21 -1.68 0.30 0.00 -0.94 0.00 0.00 52.86 50.75 1ke6 s ASN 136 Cb -0.05 0.53 1.37 0.00 -2.00 0.00 0.00 41.25 41.09 1ke6 s ASN 136 CO 0.09 -0.93 2.00 0.71 -2.94 0.00 0.00 177.10 176.03 1ke6 h THR 137 N 1.71 0.30 0.00 0.54 1.35 -1.93 -3.06 112.91 111.83 1ke6 h THR 137 Ca -0.36 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 1ke6 h THR 137 Cb 1.28 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 1ke6 h THR 137 CO 0.59 0.09 0.00 -0.62 -0.25 0.00 0.00 175.52 175.33 1ke6 n GLU 138 N -3.31 0.09 -0.07 4.72 4.71 -1.26 -4.61 120.64 120.91 1ke6 n GLU 138 Ca -0.01 0.22 0.00 0.00 -0.01 0.00 0.00 57.16 57.37 1ke6 n GLU 138 Cb 0.30 -1.64 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 1ke6 n GLU 138 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1ke6 n GLY 139 N 0.62 0.90 3.93 0.62 0.00 -1.15 -4.81 105.19 105.30 1ke6 n GLY 139 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1ke6 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ke6 s ALA 140 N -2.02 3.62 -0.00 4.61 0.00 -1.26 -4.91 121.76 121.80 1ke6 s ALA 140 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1ke6 s ALA 140 Cb 0.00 -2.23 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 1ke6 s ALA 140 CO 0.00 -0.10 -0.03 -1.50 0.00 0.00 0.00 175.76 174.13 1ke6 s ILE 141 N -2.42 0.25 0.06 0.00 2.07 -1.26 -2.77 121.20 117.12 1ke6 s ILE 141 Ca 0.42 -0.16 0.04 0.00 -1.41 0.00 0.00 60.65 59.53 1ke6 s ILE 141 Cb -0.10 -0.22 -0.03 0.00 0.13 0.00 0.00 42.46 42.25 1ke6 s ILE 141 CO 0.38 0.05 -0.11 -0.54 -1.91 0.00 0.00 174.94 172.81 1ke6 s LYS 142 N -0.12 0.68 -0.09 3.50 1.02 0.17 -4.66 119.74 120.24 1ke6 s LYS 142 Ca 0.01 -0.84 -0.20 0.00 0.02 0.00 0.00 55.97 54.95 1ke6 s LYS 142 Cb -0.01 -0.58 -0.04 0.00 -0.52 0.00 0.00 37.83 36.67 1ke6 s LYS 142 CO -0.00 0.12 0.57 -0.51 -0.92 0.00 0.00 175.35 174.62 1ke6 s LEU 143 N -1.61 4.30 0.12 3.17 1.43 -0.30 -1.04 118.68 124.75 1ke6 s LEU 143 Ca -0.05 0.99 0.08 0.00 -1.03 0.00 0.00 54.13 54.11 1ke6 s LEU 143 Cb -0.10 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 1ke6 s LEU 143 CO 0.01 -0.04 -0.13 0.00 0.23 0.00 0.00 176.35 176.43 1ke6 s ALA 144 N 0.64 2.85 0.00 4.21 0.00 -0.33 -0.83 121.76 128.29 1ke6 s ALA 144 Ca 0.31 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1ke6 s ALA 144 Cb -0.16 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1ke6 s ALA 144 CO 0.14 0.59 0.00 -0.25 0.00 0.00 0.00 175.76 176.24 1ke6 n ASP 145 N 0.61 -2.62 -4.72 0.00 8.00 -1.26 -4.88 116.55 111.68 1ke6 n ASP 145 Ca -0.14 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 54.94 1ke6 n ASP 145 Cb 0.53 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1ke6 n ASP 145 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1ke6 n PHE 146 N -2.87 2.67 0.00 1.24 1.16 -1.26 -2.85 117.46 115.55 1ke6 n PHE 146 Ca 0.00 0.16 0.00 0.00 -1.87 0.00 0.00 57.45 55.74 1ke6 n PHE 146 Cb 0.00 -2.62 0.00 0.00 -1.61 0.00 0.00 39.48 35.25 1ke6 n PHE 146 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1ke6 n GLY 147 N 3.22 2.69 0.27 4.97 0.00 -1.15 -4.86 105.19 110.33 1ke6 n GLY 147 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1ke6 n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ke6 h LEU 148 N 0.00 0.00 -0.43 0.99 3.38 -1.83 -2.71 115.31 114.72 1ke6 h LEU 148 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1ke6 h LEU 148 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ke6 h LEU 148 CO 0.00 0.06 0.17 0.00 0.09 0.00 0.00 178.44 178.75 1ke6 h ALA 149 N 1.94 0.56 0.30 1.53 0.00 -1.81 -1.62 119.26 120.17 1ke6 h ALA 149 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1ke6 h ALA 149 Cb 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ke6 h ALA 149 CO 0.01 0.17 -0.14 0.07 0.00 0.00 0.00 179.25 179.35 1ke6 h ARG 150 N 0.55 -0.39 -0.52 0.00 -0.00 -1.82 -3.28 114.38 108.92 1ke6 h ARG 150 Ca 0.14 0.03 0.09 0.00 -0.00 0.00 0.00 59.98 60.24 1ke6 h ARG 150 Cb 0.20 0.09 -0.07 0.00 -0.00 0.00 0.00 29.97 30.18 1ke6 h ARG 150 CO -0.01 -0.06 0.09 0.00 -0.00 0.00 0.00 179.97 179.99 1ke6 h ALA 151 N -0.28 0.58 -3.00 0.08 0.00 -1.56 -3.49 119.26 111.58 1ke6 h ALA 151 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ke6 h ALA 151 Cb 0.51 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ke6 h ALA 151 CO 0.07 -0.32 0.00 1.19 0.00 0.00 0.00 179.25 180.19 1ke6 n PHE 152 N -5.13 0.00 0.00 0.00 3.72 -0.61 -3.94 117.46 111.50 1ke6 n PHE 152 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 1ke6 n PHE 152 Cb 0.26 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1ke6 n PHE 152 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1ke6 n VAL 164 N 0.00 0.00 -2.64 -4.37 0.31 -1.26 -4.80 118.33 105.58 1ke6 n VAL 164 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1ke6 n VAL 164 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 1ke6 n VAL 164 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ke6 s THR 165 N 0.00 4.67 -1.77 2.52 2.01 -1.26 -4.92 115.64 116.89 1ke6 s THR 165 Ca 0.00 1.94 0.14 0.00 0.31 0.00 0.00 61.69 64.08 1ke6 s THR 165 Cb 0.00 -4.24 0.12 0.00 0.01 0.00 0.00 72.50 68.39 1ke6 s THR 165 CO 0.00 0.03 0.96 0.18 -0.69 0.00 0.00 174.62 175.11 1ke6 n LEU 166 N 4.81 2.22 -0.13 4.42 4.77 -1.26 -4.68 117.00 127.15 1ke6 n LEU 166 Ca 0.09 -1.03 0.26 0.00 -0.03 0.00 0.00 56.01 55.30 1ke6 n LEU 166 Cb 0.49 -0.01 0.72 0.00 -2.33 0.00 0.00 43.42 42.28 1ke6 n LEU 166 CO 0.53 0.41 1.24 -0.50 -1.33 0.00 0.00 177.39 177.74 1ke6 h TRP 167 N 2.80 0.00 -0.39 -1.77 4.06 -1.83 -2.08 115.95 116.73 1ke6 h TRP 167 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ke6 h TRP 167 Cb 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.76 1ke6 h TRP 167 CO 0.01 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 175.55 1ke6 n TYR 168 N -4.26 0.56 -2.55 0.49 4.01 -1.26 -4.53 117.16 109.62 1ke6 n TYR 168 Ca 0.16 -0.52 -0.42 0.00 -0.16 0.00 0.00 57.90 56.96 1ke6 n TYR 168 Cb 0.87 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.83 1ke6 n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1ke6 s ARG 169 N -1.10 4.51 0.56 -0.72 3.52 -0.78 -3.96 118.95 120.98 1ke6 s ARG 169 Ca 0.27 1.62 -0.20 0.00 -0.13 0.00 0.00 55.73 57.30 1ke6 s ARG 169 Cb 0.15 -3.38 -0.05 0.00 -1.56 0.00 0.00 34.95 30.11 1ke6 s ARG 169 CO 0.18 -0.11 1.18 0.00 -0.81 0.00 0.00 175.30 175.73 1ke6 s ALA 170 N 0.81 2.65 0.23 6.12 0.00 -1.26 -4.91 121.76 125.40 1ke6 s ALA 170 Ca 0.54 0.95 -0.06 0.00 0.00 0.00 0.00 51.96 53.39 1ke6 s ALA 170 Cb -0.26 -3.42 0.34 0.00 0.00 0.00 0.00 23.12 19.79 1ke6 s ALA 170 CO 0.30 -0.97 1.79 -1.35 0.00 0.00 0.00 175.76 175.52 1ke6 h PRO 171 N 1.14 0.64 -0.48 0.00 0.11 -1.95 -2.39 132.00 129.07 1ke6 h PRO 171 Ca -0.50 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.60 1ke6 h PRO 171 Cb 1.28 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1ke6 h PRO 171 CO 0.56 0.43 0.32 1.05 -0.21 0.00 0.00 178.00 180.15 1ke6 h GLU 172 N 0.66 0.51 -0.27 1.05 9.09 -1.92 0.20 114.58 123.90 1ke6 h GLU 172 Ca 0.36 -0.03 -0.14 0.00 0.05 0.00 0.00 59.36 59.60 1ke6 h GLU 172 Cb 0.35 -0.12 -0.00 0.00 -1.65 0.00 0.00 28.75 27.33 1ke6 h GLU 172 CO -0.25 0.34 -0.37 0.82 0.05 0.00 0.00 179.01 179.59 1ke6 h ILE 173 N 0.53 1.30 0.00 -1.06 2.04 -1.70 -0.49 117.51 118.13 1ke6 h ILE 173 Ca 0.19 -1.56 -0.05 0.00 1.00 0.00 0.00 64.86 64.44 1ke6 h ILE 173 Cb 0.12 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1ke6 h ILE 173 CO -0.05 0.50 -0.24 -0.07 0.00 0.00 0.00 178.15 178.29 1ke6 h LEU 174 N 0.47 0.00 -1.28 1.44 3.38 -0.97 -2.51 115.31 115.84 1ke6 h LEU 174 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ke6 h LEU 174 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ke6 h LEU 174 CO 0.09 0.24 0.00 0.18 0.09 0.00 0.00 178.44 179.04 1ke6 n LEU 175 N -3.80 1.89 0.00 1.67 4.77 -0.06 -4.89 117.00 116.58 1ke6 n LEU 175 Ca -0.01 -0.87 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 1ke6 n LEU 175 Cb 0.34 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1ke6 n LEU 175 CO 0.34 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 1ke6 n GLY 176 N 1.13 0.79 3.70 -0.72 0.00 -0.95 -0.95 105.19 108.20 1ke6 n GLY 176 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1ke6 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ke6 h LYS 178 N 7.32 0.10 -2.85 0.00 1.57 -1.95 -3.41 116.57 117.36 1ke6 h LYS 178 Ca -0.41 -0.18 -0.75 0.00 -1.87 0.00 0.00 60.65 57.43 1ke6 h LYS 178 Cb 1.20 0.07 -0.32 0.00 0.08 0.00 0.00 32.23 33.26 1ke6 h LYS 178 CO 0.89 0.86 0.39 0.66 -0.57 0.00 0.00 179.45 181.68 1ke6 n TYR 179 N -3.28 2.99 -1.66 -1.35 4.02 -1.26 -5.05 117.16 111.57 1ke6 n TYR 179 Ca -0.15 -3.17 -0.31 0.00 -0.01 0.00 0.00 57.90 54.26 1ke6 n TYR 179 Cb 1.03 -1.14 0.04 0.00 -0.02 0.00 0.00 39.34 39.25 1ke6 n TYR 179 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 1ke6 s TYR 180 N -2.48 3.13 0.11 -0.72 1.13 -1.26 -5.07 117.35 112.18 1ke6 s TYR 180 Ca 0.33 1.43 0.01 0.00 -1.41 0.00 0.00 57.07 57.42 1ke6 s TYR 180 Cb 0.05 -2.89 0.01 0.00 -1.10 0.00 0.00 41.96 38.03 1ke6 s TYR 180 CO 0.05 -1.18 0.06 -1.13 -2.51 0.00 0.00 175.55 170.84 1ke6 n SER 181 N -2.93 1.59 0.27 -0.18 3.41 -1.26 -4.99 113.62 109.53 1ke6 n SER 181 Ca 0.08 -1.41 0.18 0.00 -0.26 0.00 0.00 58.87 57.45 1ke6 n SER 181 Cb 0.53 0.01 0.94 0.00 -0.26 0.00 0.00 64.21 65.43 1ke6 n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ke6 h THR 182 N 0.66 0.27 -0.07 6.66 1.35 -1.97 -2.07 112.91 117.74 1ke6 h THR 182 Ca -0.08 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.80 1ke6 h THR 182 Cb 0.27 0.86 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1ke6 h THR 182 CO 0.12 0.00 0.07 0.00 -0.25 0.00 0.00 175.52 175.46 1ke6 h ALA 183 N 1.76 1.68 -0.01 6.62 0.00 -1.94 -2.21 119.26 125.17 1ke6 h ALA 183 Ca 0.04 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1ke6 h ALA 183 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ke6 h ALA 183 CO -0.00 -0.11 -0.29 -0.39 0.00 0.00 0.00 179.25 178.46 1ke6 h VAL 184 N 0.00 1.22 -0.09 0.00 -1.51 -1.77 -2.44 116.25 111.67 1ke6 h VAL 184 Ca 0.03 -1.03 -0.17 0.00 -1.23 0.00 0.00 66.70 64.31 1ke6 h VAL 184 Cb 0.17 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 1ke6 h VAL 184 CO -0.00 0.30 -0.66 0.44 -1.23 0.00 0.00 177.57 176.41 1ke6 h ASP 185 N 0.02 0.41 -0.65 4.19 3.32 -1.62 -2.54 116.42 119.55 1ke6 h ASP 185 Ca 0.00 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 56.71 1ke6 h ASP 185 Cb 0.53 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1ke6 h ASP 185 CO 0.04 0.95 0.07 0.40 -1.72 0.00 0.00 179.24 178.98 1ke6 h ILE 186 N 0.25 1.27 -0.05 0.35 1.08 -1.53 -1.08 117.51 117.79 1ke6 h ILE 186 Ca -0.02 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.36 1ke6 h ILE 186 Cb 1.21 0.69 -0.00 0.00 -3.07 0.00 0.00 36.82 35.64 1ke6 h ILE 186 CO 0.11 0.41 0.03 -0.25 -0.69 0.00 0.00 178.15 177.75 1ke6 h TRP 187 N 1.03 0.07 -0.82 1.37 2.91 -1.34 -0.72 115.95 118.46 1ke6 h TRP 187 Ca 0.19 -0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.25 1ke6 h TRP 187 Cb 0.49 -0.02 -0.05 0.00 -0.51 0.00 0.00 29.16 29.07 1ke6 h TRP 187 CO 0.04 0.14 0.52 0.77 -1.03 0.00 0.00 178.44 178.87 1ke6 h SER 188 N -0.01 0.85 -0.36 2.65 0.02 -1.28 -1.53 113.55 113.89 1ke6 h SER 188 Ca 0.02 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1ke6 h SER 188 Cb 0.09 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1ke6 h SER 188 CO -0.00 0.58 0.01 0.25 -1.14 0.00 0.00 176.83 176.52 1ke6 h LEU 189 N 1.00 0.68 -1.05 5.07 5.85 -0.96 -1.69 115.31 124.21 1ke6 h LEU 189 Ca 0.33 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1ke6 h LEU 189 Cb 0.04 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1ke6 h LEU 189 CO -0.13 0.75 0.12 1.23 -0.34 0.00 0.00 178.44 180.07 1ke6 h GLY 190 N 0.94 0.86 1.38 3.75 0.00 -0.20 0.28 103.07 110.08 1ke6 h GLY 190 Ca 0.14 -0.50 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 1ke6 h GLY 190 CO 0.02 0.47 -0.24 0.00 0.00 0.00 0.00 176.54 176.79 1ke6 h ILE 192 N 0.63 1.32 0.09 0.00 2.04 -0.87 -2.26 117.51 118.44 1ke6 h ILE 192 Ca 0.09 -1.83 0.01 0.00 1.00 0.00 0.00 64.86 64.12 1ke6 h ILE 192 Cb 0.73 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 1ke6 h ILE 192 CO 0.06 0.57 -0.15 0.15 0.00 0.00 0.00 178.15 178.78 1ke6 h PHE 193 N 0.46 -0.38 -0.79 1.37 -0.00 -0.78 -1.03 116.94 115.79 1ke6 h PHE 193 Ca 0.00 0.01 0.02 0.00 -0.00 0.00 0.00 57.97 58.00 1ke6 h PHE 193 Cb 1.14 0.16 -0.04 0.00 -0.00 0.00 0.00 35.95 37.21 1ke6 h PHE 193 CO 0.05 -0.22 0.51 0.00 -0.00 0.00 0.00 178.31 178.65 1ke6 h ALA 194 N 0.58 1.02 -0.67 2.41 0.00 -1.34 -2.59 119.26 118.67 1ke6 h ALA 194 Ca 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ke6 h ALA 194 Cb 0.31 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1ke6 h ALA 194 CO -0.08 0.36 0.25 1.49 0.00 0.00 0.00 179.25 181.26 1ke6 h GLU 195 N 1.02 1.00 -0.54 0.00 4.81 -1.00 -0.85 114.58 119.02 1ke6 h GLU 195 Ca 0.31 -0.18 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1ke6 h GLU 195 Cb -0.04 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1ke6 h GLU 195 CO -0.09 0.83 0.00 0.52 -0.73 0.00 0.00 179.01 179.54 1ke6 h MET 196 N 0.97 0.92 -0.06 1.92 2.86 -0.83 0.12 114.93 120.83 1ke6 h MET 196 Ca 0.22 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1ke6 h MET 196 Cb 0.22 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1ke6 h MET 196 CO -0.02 0.91 -0.17 0.28 1.06 0.00 0.00 176.91 178.97 1ke6 h VAL 197 N 0.85 1.43 0.00 -2.22 2.07 -1.12 -3.35 116.25 113.90 1ke6 h VAL 197 Ca 0.16 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.15 1ke6 h VAL 197 Cb 0.50 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1ke6 h VAL 197 CO 0.02 0.43 -0.96 0.35 0.02 0.00 0.00 177.57 177.43 1ke6 n THR 198 N -4.58 0.27 -2.42 2.57 -2.24 -0.36 -4.94 114.28 102.59 1ke6 n THR 198 Ca -0.08 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 1ke6 n THR 198 Cb 0.40 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1ke6 n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ke6 n ARG 199 N -2.10 -1.74 -3.72 -0.78 1.74 0.43 -5.02 116.66 105.47 1ke6 n ARG 199 Ca 0.02 0.60 -0.12 0.00 -0.77 0.00 0.00 57.85 57.57 1ke6 n ARG 199 Cb 0.46 -4.78 -0.10 0.00 -1.02 0.00 0.00 32.46 27.02 1ke6 n ARG 199 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1ke6 s ARG 200 N -4.86 0.47 0.36 5.56 1.81 -1.22 -5.06 118.95 116.01 1ke6 s ARG 200 Ca 0.07 0.66 -0.28 0.00 -1.72 0.00 0.00 55.73 54.46 1ke6 s ARG 200 Cb -0.03 0.16 -0.11 0.00 -0.45 0.00 0.00 34.95 34.52 1ke6 s ARG 200 CO 0.08 -0.09 1.45 0.00 -0.68 0.00 0.00 175.30 176.06 1ke6 n ALA 201 N 3.29 2.13 -0.03 2.13 0.00 -1.26 -4.23 120.51 122.54 1ke6 n ALA 201 Ca -0.16 0.35 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 1ke6 n ALA 201 Cb 0.57 -2.38 -0.09 0.00 0.00 0.00 0.00 19.45 17.54 1ke6 n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ke6 h LEU 202 N 2.94 0.18 -6.56 0.00 5.85 -1.92 -3.39 115.31 112.41 1ke6 h LEU 202 Ca -0.49 -0.57 -0.60 0.00 0.84 0.00 0.00 57.88 57.06 1ke6 h LEU 202 Cb 1.25 -0.05 -0.40 0.00 0.37 0.00 0.00 40.66 41.83 1ke6 h LEU 202 CO 0.64 0.72 -0.77 0.49 -0.34 0.00 0.00 178.44 179.18 1ke6 n PHE 203 N -4.66 1.55 -1.87 1.25 0.99 -1.26 -5.02 117.46 108.43 1ke6 n PHE 203 Ca -0.08 -3.88 -0.42 0.00 -0.00 0.00 0.00 57.45 53.07 1ke6 n PHE 203 Cb 0.35 -0.30 -0.00 0.00 -1.00 0.00 0.00 39.48 38.53 1ke6 n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1ke6 n PRO 204 N 1.96 3.16 -1.83 -1.08 -0.04 -1.26 -4.34 135.00 131.57 1ke6 n PRO 204 Ca 0.25 -2.85 -0.32 0.00 -0.04 0.00 0.00 63.50 60.54 1ke6 n PRO 204 Cb 0.42 -3.14 0.03 0.00 -0.04 0.00 0.00 33.50 30.77 1ke6 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ke6 s GLY 205 N 2.43 1.98 0.00 0.55 0.00 -1.26 -4.98 107.32 106.03 1ke6 s GLY 205 Ca 0.47 0.32 0.05 0.00 0.00 0.00 0.00 44.72 45.55 1ke6 s GLY 205 CO -0.06 0.64 0.80 2.09 0.00 0.00 0.00 173.10 176.57 1ke6 n ASP 206 N -2.47 1.73 -3.67 1.64 3.85 -1.26 -4.67 116.55 111.69 1ke6 n ASP 206 Ca 0.09 -1.46 -0.10 0.00 -0.71 0.00 0.00 54.79 52.61 1ke6 n ASP 206 Cb 0.53 -0.03 -0.03 0.00 -1.35 0.00 0.00 41.12 40.24 1ke6 n ASP 206 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1ke6 s SER 207 N -0.60 -0.36 0.23 -1.12 1.04 -1.26 -5.02 113.70 106.61 1ke6 s SER 207 Ca 0.07 -0.36 -0.08 0.00 0.48 0.00 0.00 55.95 56.06 1ke6 s SER 207 Cb 0.04 0.63 0.21 0.00 0.10 0.00 0.00 66.02 67.00 1ke6 s SER 207 CO 0.06 -1.12 1.89 -0.33 0.98 0.00 0.00 173.24 174.73 1ke6 h GLU 208 N 2.07 1.18 -0.02 4.02 5.08 -1.99 0.18 114.58 125.10 1ke6 h GLU 208 Ca -0.27 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 57.81 1ke6 h GLU 208 Cb 1.27 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1ke6 h GLU 208 CO 0.33 0.80 -0.82 0.97 -1.00 0.00 0.00 179.01 179.30 1ke6 h ILE 209 N 1.20 1.45 -0.45 3.13 6.09 -1.97 -1.53 117.51 125.44 1ke6 h ILE 209 Ca 0.32 -2.42 -0.13 0.00 -1.37 0.00 0.00 64.86 61.26 1ke6 h ILE 209 Cb -0.10 2.33 -0.01 0.00 0.47 0.00 0.00 36.82 39.51 1ke6 h ILE 209 CO -0.07 0.71 -0.23 -0.78 -3.07 0.00 0.00 178.15 174.71 1ke6 h ASP 210 N 0.16 0.95 -0.01 2.19 3.58 -1.87 -0.36 116.42 121.06 1ke6 h ASP 210 Ca -0.04 -0.36 -0.00 0.00 0.42 0.00 0.00 57.03 57.05 1ke6 h ASP 210 Cb 1.42 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 42.21 1ke6 h ASP 210 CO 0.13 1.13 0.00 -0.61 -2.88 0.00 0.00 179.24 177.02 1ke6 h GLN 211 N 0.79 0.01 -0.41 0.28 5.75 -0.54 -0.59 115.11 120.41 1ke6 h GLN 211 Ca 0.10 -0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1ke6 h GLN 211 Cb 0.80 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.32 1ke6 h GLN 211 CO 0.07 0.10 0.26 1.25 -2.65 0.00 0.00 178.83 177.85 1ke6 h LEU 212 N -0.07 0.43 -1.12 -2.39 5.85 -1.16 -2.45 115.31 114.40 1ke6 h LEU 212 Ca 0.00 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1ke6 h LEU 212 Cb 0.09 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1ke6 h LEU 212 CO -0.00 0.31 -0.15 -0.26 -0.34 0.00 0.00 178.44 178.00 1ke6 h PHE 213 N 0.53 0.47 -0.42 1.25 0.05 -0.89 -1.27 116.94 116.65 1ke6 h PHE 213 Ca 0.16 -0.07 -0.08 0.00 3.82 0.00 0.00 57.97 61.79 1ke6 h PHE 213 Cb -0.03 -0.13 -0.02 0.00 2.00 0.00 0.00 35.95 37.77 1ke6 h PHE 213 CO -0.06 0.58 -0.08 0.00 -0.18 0.00 0.00 178.31 178.57 1ke6 h ARG 214 N 0.40 0.73 0.00 1.51 3.08 -0.83 -0.43 114.38 118.86 1ke6 h ARG 214 Ca 0.07 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 1ke6 h ARG 214 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1ke6 h ARG 214 CO 0.03 0.80 -0.00 0.82 -1.07 0.00 0.00 179.97 180.55 1ke6 h ILE 215 N 0.67 1.25 -0.95 2.04 2.04 -1.01 -3.02 117.51 118.54 1ke6 h ILE 215 Ca 0.12 -0.76 0.06 0.00 1.00 0.00 0.00 64.86 65.28 1ke6 h ILE 215 Cb 0.54 1.77 -0.06 0.00 -0.74 0.00 0.00 36.82 38.32 1ke6 h ILE 215 CO 0.03 0.20 0.61 -0.26 0.00 0.00 0.00 178.15 178.73 1ke6 h PHE 216 N -0.33 1.13 0.00 1.37 0.05 -1.05 0.11 116.94 118.22 1ke6 h PHE 216 Ca -0.00 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.80 1ke6 h PHE 216 Cb 0.33 -0.37 -0.00 0.00 2.00 0.00 0.00 35.95 37.90 1ke6 h PHE 216 CO 0.04 0.59 -0.08 0.00 -0.18 0.00 0.00 178.31 178.68 1ke6 h ARG 217 N 1.12 0.00 0.00 1.51 3.08 -1.05 0.34 114.38 119.38 1ke6 h ARG 217 Ca 0.41 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 60.08 1ke6 h ARG 217 Cb 0.14 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 1ke6 h ARG 217 CO -0.16 0.08 -2.16 2.41 -1.07 0.00 0.00 179.97 179.07 1ke6 n THR 218 N -3.35 1.53 1.24 2.04 -1.04 -0.73 -4.56 114.28 109.41 1ke6 n THR 218 Ca -0.01 -0.27 0.13 0.00 -2.04 0.00 0.00 64.05 61.86 1ke6 n THR 218 Cb 0.26 -1.96 0.32 0.00 -1.82 0.00 0.00 70.33 67.13 1ke6 n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ke6 n LEU 219 N -4.31 1.52 0.00 -4.42 4.77 0.30 -0.78 117.00 114.08 1ke6 n LEU 219 Ca -0.47 -0.48 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 1ke6 n LEU 219 Cb 0.81 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1ke6 n LEU 219 CO 0.07 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 1ke6 n GLY 220 N 1.31 0.11 3.70 -0.72 0.00 0.12 -4.46 105.19 105.25 1ke6 n GLY 220 Ca 0.14 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1ke6 n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ke6 s THR 221 N -2.45 3.53 0.47 2.61 2.01 -0.54 -4.54 115.64 116.73 1ke6 s THR 221 Ca 0.00 1.02 -0.22 0.00 0.31 0.00 0.00 61.69 62.80 1ke6 s THR 221 Cb 0.00 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 1ke6 s THR 221 CO 0.00 0.03 1.07 -2.16 -0.69 0.00 0.00 174.62 172.87 1ke6 s PRO 222 N 1.82 3.84 0.28 4.92 0.04 -1.26 -4.85 135.00 139.78 1ke6 s PRO 222 Ca 0.64 1.49 0.05 0.00 0.04 0.00 0.00 61.00 63.22 1ke6 s PRO 222 Cb -0.34 -2.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 1ke6 s PRO 222 CO 0.28 -0.42 0.17 -0.40 0.04 0.00 0.00 177.00 176.68 1ke6 n ASP 223 N -0.70 0.15 0.31 6.66 5.68 -1.26 -4.98 116.55 122.42 1ke6 n ASP 223 Ca 0.08 -2.66 0.19 0.00 -0.50 0.00 0.00 54.79 51.91 1ke6 n ASP 223 Cb 0.51 1.07 1.01 0.00 -1.14 0.00 0.00 41.12 42.57 1ke6 n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1ke6 h GLU 224 N 0.00 0.00 0.00 0.11 4.39 -1.98 -0.08 114.58 117.03 1ke6 h GLU 224 Ca -0.20 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 1ke6 h GLU 224 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1ke6 h GLU 224 CO 0.31 0.02 -0.00 0.28 -1.16 0.00 0.00 179.01 178.46 1ke6 h VAL 225 N 0.00 1.44 0.00 3.13 2.07 -1.99 -3.11 116.25 117.78 1ke6 h VAL 225 Ca -0.00 -1.31 -0.15 0.00 0.82 0.00 0.00 66.70 66.05 1ke6 h VAL 225 Cb 0.14 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1ke6 h VAL 225 CO 0.00 0.34 -0.98 -0.37 0.02 0.00 0.00 177.57 176.58 1ke6 h VAL 226 N -0.56 0.82 -2.44 2.57 -1.51 -1.94 -3.42 116.25 109.77 1ke6 h VAL 226 Ca -0.00 -2.30 -0.59 0.00 -1.23 0.00 0.00 66.70 62.58 1ke6 h VAL 226 Cb 0.56 2.32 -0.38 0.00 -2.13 0.00 0.00 31.29 31.66 1ke6 h VAL 226 CO 0.00 0.47 -0.93 0.86 -1.23 0.00 0.00 177.57 176.74 1ke6 s TRP 227 N -2.90 0.95 0.07 5.19 -0.11 -0.05 -4.36 118.94 117.73 1ke6 s TRP 227 Ca 0.00 -2.07 -0.34 0.00 1.22 0.00 0.00 56.10 54.91 1ke6 s TRP 227 Cb 0.08 -0.91 -0.13 0.00 -1.50 0.00 0.00 33.47 31.00 1ke6 s TRP 227 CO 0.78 -0.83 1.66 -2.30 -4.62 0.00 0.00 176.95 171.65 1ke6 n PRO 228 N 3.28 2.07 -0.11 5.86 -0.02 -1.18 -1.37 135.00 143.54 1ke6 n PRO 228 Ca 0.23 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1ke6 n PRO 228 Cb 0.44 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1ke6 n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ke6 n GLY 229 N 3.68 0.89 0.35 -1.23 0.00 -1.26 -4.96 105.19 102.67 1ke6 n GLY 229 Ca 0.19 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 1ke6 n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ke6 h VAL 230 N 0.00 1.15 0.00 1.61 3.04 -1.54 -1.83 116.25 118.68 1ke6 h VAL 230 Ca 0.00 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1ke6 h VAL 230 Cb 0.00 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.34 1ke6 h VAL 230 CO 0.00 0.18 0.00 0.35 -1.01 0.00 0.00 177.57 177.09 1ke6 n THR 231 N -4.44 0.25 0.32 3.17 -2.24 -1.26 -2.08 114.28 107.99 1ke6 n THR 231 Ca 0.10 0.06 0.08 0.00 -2.27 0.00 0.00 64.05 62.02 1ke6 n THR 231 Cb 0.09 -0.78 0.13 0.00 -2.10 0.00 0.00 70.33 67.67 1ke6 n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ke6 n SER 232 N -1.14 2.75 -4.77 3.42 7.64 -0.69 -4.91 113.62 115.92 1ke6 n SER 232 Ca 0.11 -1.81 -0.38 0.00 1.01 0.00 0.00 58.87 57.80 1ke6 n SER 232 Cb 0.10 -0.13 -0.01 0.00 -1.01 0.00 0.00 64.21 63.16 1ke6 n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1ke6 s MET 233 N -1.22 3.84 0.31 1.43 -1.94 -0.89 -4.93 119.30 115.91 1ke6 s MET 233 Ca 0.25 1.97 0.08 0.00 -1.71 0.00 0.00 55.69 56.28 1ke6 s MET 233 Cb 0.15 -2.58 0.84 0.00 2.01 0.00 0.00 34.83 35.25 1ke6 s MET 233 CO 0.22 -0.54 1.72 -1.35 -0.01 0.00 0.00 175.02 175.06 1ke6 h PRO 234 N 2.36 0.51 -0.60 2.03 0.11 -1.82 -2.25 132.00 132.34 1ke6 h PRO 234 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ke6 h PRO 234 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ke6 h PRO 234 CO 0.61 0.34 0.00 -0.25 -0.21 0.00 0.00 178.00 178.49 1ke6 n ASP 235 N -4.94 3.65 -4.75 -2.05 10.43 -0.12 -4.97 116.55 113.80 1ke6 n ASP 235 Ca 0.25 -2.03 -0.40 0.00 2.57 0.00 0.00 54.79 55.18 1ke6 n ASP 235 Cb 0.72 -0.41 -0.04 0.00 1.84 0.00 0.00 41.12 43.23 1ke6 n ASP 235 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1ke6 s TYR 236 N -1.06 3.55 -0.07 1.24 5.04 -0.85 -4.95 117.35 120.24 1ke6 s TYR 236 Ca 0.40 1.65 0.03 0.00 -2.44 0.00 0.00 57.07 56.71 1ke6 s TYR 236 Cb 0.21 -3.31 0.01 0.00 0.35 0.00 0.00 41.96 39.22 1ke6 s TYR 236 CO 0.27 -0.66 -0.15 0.15 -1.34 0.00 0.00 175.55 173.81 1ke6 s LYS 237 N -1.20 2.01 0.54 4.97 -0.14 -1.26 -4.94 119.74 119.72 1ke6 s LYS 237 Ca 0.46 -0.52 0.36 0.00 -1.36 0.00 0.00 55.97 54.91 1ke6 s LYS 237 Cb -0.32 -1.61 1.91 0.00 -1.68 0.00 0.00 37.83 36.13 1ke6 s LYS 237 CO 0.40 0.06 2.10 -1.35 -0.76 0.00 0.00 175.35 175.81 1ke6 h PRO 238 N 6.91 0.00 -0.04 -1.68 0.11 -1.96 -1.42 132.00 133.93 1ke6 h PRO 238 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ke6 h PRO 238 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1ke6 h PRO 238 CO 0.47 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 1ke6 n SER 239 N -2.81 0.47 -4.77 -2.05 3.41 -1.26 -4.89 113.62 101.72 1ke6 n SER 239 Ca -0.02 -1.43 -0.41 0.00 -0.26 0.00 0.00 58.87 56.75 1ke6 n SER 239 Cb 0.09 -0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 1ke6 n SER 239 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ke6 s PHE 240 N -1.95 2.68 0.55 7.33 0.08 -0.54 -4.94 117.98 121.19 1ke6 s PHE 240 Ca 0.32 1.11 -0.20 0.00 0.12 0.00 0.00 56.93 58.28 1ke6 s PHE 240 Cb 0.16 -3.99 -0.05 0.00 -0.57 0.00 0.00 43.02 38.56 1ke6 s PHE 240 CO 0.25 -3.00 1.20 -2.14 -0.10 0.00 0.00 175.22 171.44 1ke6 s PRO 241 N -1.69 3.21 -0.44 0.24 0.02 -1.26 -4.97 135.00 130.11 1ke6 s PRO 241 Ca 0.55 1.82 -0.14 0.00 0.02 0.00 0.00 61.00 63.24 1ke6 s PRO 241 Cb -0.46 -2.06 0.05 0.00 0.02 0.00 0.00 34.50 32.05 1ke6 s PRO 241 CO 0.59 -1.01 0.33 0.15 -0.33 0.00 0.00 177.00 176.73 1ke6 s LYS 242 N -3.16 2.93 0.09 5.54 1.02 -1.26 -4.81 119.74 120.09 1ke6 s LYS 242 Ca 0.73 -1.22 0.04 0.00 0.02 0.00 0.00 55.97 55.55 1ke6 s LYS 242 Cb -0.30 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 32.96 1ke6 s LYS 242 CO 0.34 -0.89 0.04 -1.58 -0.92 0.00 0.00 175.35 172.33 1ke6 s TRP 243 N 1.63 3.09 0.40 3.18 0.51 -1.26 -4.96 118.94 121.53 1ke6 s TRP 243 Ca 0.04 0.02 -0.08 0.00 -2.12 0.00 0.00 56.10 53.96 1ke6 s TRP 243 Cb -0.22 -1.57 -0.05 0.00 -0.81 0.00 0.00 33.47 30.81 1ke6 s TRP 243 CO 0.07 0.50 0.73 0.00 -0.51 0.00 0.00 176.95 177.74 1ke6 s ALA 244 N -1.37 3.42 0.32 0.98 0.00 -1.26 -1.47 121.76 122.38 1ke6 s ALA 244 Ca 0.28 -0.35 -0.27 0.00 0.00 0.00 0.00 51.96 51.61 1ke6 s ALA 244 Cb -0.12 -2.59 -0.09 0.00 0.00 0.00 0.00 23.12 20.32 1ke6 s ALA 244 CO 0.20 -0.04 1.05 0.50 0.00 0.00 0.00 175.76 177.48 1ke6 s ARG 245 N -3.99 4.48 0.24 0.00 3.52 -1.26 -4.01 118.95 117.93 1ke6 s ARG 245 Ca 0.49 1.62 0.03 0.00 -0.13 0.00 0.00 55.73 57.74 1ke6 s ARG 245 Cb -0.10 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 1ke6 s ARG 245 CO 0.34 0.12 0.39 -0.65 -0.81 0.00 0.00 175.30 174.69 1ke6 s GLN 246 N -1.85 3.46 0.17 5.12 -0.21 0.04 -4.90 119.66 121.48 1ke6 s GLN 246 Ca 0.49 -0.62 -0.30 0.00 0.02 0.00 0.00 55.36 54.95 1ke6 s GLN 246 Cb -0.27 -2.85 -0.07 0.00 1.00 0.00 0.00 33.01 30.82 1ke6 s GLN 246 CO 0.34 0.39 1.07 -0.51 -2.12 0.00 0.00 175.29 174.46 1ke6 s ASP 247 N -3.82 7.32 0.56 5.90 1.01 -1.26 -4.89 116.67 121.49 1ke6 s ASP 247 Ca 0.36 2.04 0.28 0.00 0.71 0.00 0.00 52.55 55.93 1ke6 s ASP 247 Cb -0.10 -2.60 1.66 0.00 1.01 0.00 0.00 42.92 42.89 1ke6 s ASP 247 CO 0.30 -0.18 2.19 -0.26 0.21 0.00 0.00 175.17 177.43 1ke6 h PHE 248 N 5.14 0.00 0.00 4.23 0.04 -1.97 -0.80 116.94 123.57 1ke6 h PHE 248 Ca -0.44 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.32 1ke6 h PHE 248 Cb 1.21 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.36 1ke6 h PHE 248 CO 0.63 0.04 -0.02 0.66 -0.60 0.00 0.00 178.31 179.02 1ke6 h SER 249 N 0.00 0.00 0.51 2.17 4.64 -1.91 -0.91 113.55 118.04 1ke6 h SER 249 Ca -0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 1ke6 h SER 249 Cb 0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 1ke6 h SER 249 CO 0.01 0.02 -1.57 0.50 -0.87 0.00 0.00 176.83 174.92 1ke6 h LYS 250 N 0.00 0.13 -0.06 4.77 3.64 -1.53 -3.20 116.57 120.32 1ke6 h LYS 250 Ca -0.00 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.11 1ke6 h LYS 250 Cb 0.05 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ke6 h LYS 250 CO 0.00 0.90 -0.14 0.28 -2.27 0.00 0.00 179.45 178.23 1ke6 h VAL 251 N 0.04 1.43 -2.18 2.00 2.07 -1.04 -3.37 116.25 115.19 1ke6 h VAL 251 Ca -0.24 -1.48 -0.55 0.00 0.82 0.00 0.00 66.70 65.25 1ke6 h VAL 251 Cb 1.98 2.25 -0.41 0.00 -1.52 0.00 0.00 31.29 33.59 1ke6 h VAL 251 CO 0.12 0.41 -0.84 1.33 0.02 0.00 0.00 177.57 178.61 1ke6 n VAL 252 N -4.62 1.92 -0.05 2.57 0.24 -0.46 -5.00 118.33 112.93 1ke6 n VAL 252 Ca -0.08 -5.22 -0.01 0.00 -2.04 0.00 0.00 64.34 56.99 1ke6 n VAL 252 Cb 0.38 -0.99 -0.01 0.00 -1.47 0.00 0.00 33.84 31.75 1ke6 n VAL 252 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1ke6 n PRO 253 N -0.06 -0.05 0.28 7.34 -0.02 -1.21 -1.84 135.00 139.44 1ke6 n PRO 253 Ca 0.29 0.30 0.16 0.00 -2.02 0.00 0.00 63.50 62.24 1ke6 n PRO 253 Cb 0.49 -0.45 0.80 0.00 -0.02 0.00 0.00 33.50 34.32 1ke6 n PRO 253 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ke6 h PRO 254 N 0.00 0.00 -6.69 0.52 0.13 -1.92 -3.45 132.00 120.59 1ke6 h PRO 254 Ca 0.02 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.63 1ke6 h PRO 254 Cb 0.05 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.24 1ke6 h PRO 254 CO -0.11 0.06 0.98 -1.17 -0.23 0.00 0.00 178.00 177.53 1ke6 s LEU 255 N -6.58 4.36 1.04 1.56 2.96 -0.77 -4.99 118.68 116.26 1ke6 s LEU 255 Ca -0.02 2.87 -0.14 0.00 -0.22 0.00 0.00 54.13 56.62 1ke6 s LEU 255 Cb 0.11 -3.61 0.21 0.00 0.50 0.00 0.00 46.19 43.40 1ke6 s LEU 255 CO 0.54 -0.95 1.12 1.51 -1.32 0.00 0.00 176.35 177.24 1ke6 s ASP 256 N 1.02 2.33 0.29 3.68 3.84 -1.26 -4.69 116.67 121.89 1ke6 s ASP 256 Ca 0.72 0.92 0.01 0.00 -0.00 0.00 0.00 52.55 54.20 1ke6 s ASP 256 Cb -0.49 -1.42 0.53 0.00 -1.38 0.00 0.00 42.92 40.16 1ke6 s ASP 256 CO 0.36 -3.28 1.88 -0.08 -0.00 0.00 0.00 175.17 174.05 1ke6 h GLU 257 N -2.00 1.00 -0.45 2.11 4.57 -1.99 -0.51 114.58 117.32 1ke6 h GLU 257 Ca -0.51 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 57.59 1ke6 h GLU 257 Cb 1.32 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 1ke6 h GLU 257 CO 0.51 0.66 0.19 -0.44 -1.18 0.00 0.00 179.01 178.75 1ke6 h ASP 258 N 1.03 0.61 -0.53 1.04 3.32 -1.98 -0.69 116.42 119.21 1ke6 h ASP 258 Ca 0.43 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.27 1ke6 h ASP 258 Cb 0.31 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1ke6 h ASP 258 CO -0.19 0.60 0.11 1.23 -1.72 0.00 0.00 179.24 179.27 1ke6 h GLY 259 N 0.58 0.93 1.33 2.75 0.00 -1.71 -1.66 103.07 105.29 1ke6 h GLY 259 Ca 0.15 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 1ke6 h GLY 259 CO -0.01 0.56 -0.06 3.21 0.00 0.00 0.00 176.54 180.24 1ke6 h ARG 260 N 0.75 0.81 -0.09 4.80 3.08 -1.00 0.32 114.38 123.05 1ke6 h ARG 260 Ca 0.16 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1ke6 h ARG 260 Cb 0.37 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1ke6 h ARG 260 CO 0.01 0.85 0.04 1.03 -1.07 0.00 0.00 179.97 180.83 1ke6 h SER 261 N 0.74 0.13 -0.21 7.04 0.87 -0.94 -0.49 113.55 120.69 1ke6 h SER 261 Ca 0.13 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1ke6 h SER 261 Cb 0.53 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1ke6 h SER 261 CO 0.03 0.23 0.10 0.25 -0.53 0.00 0.00 176.83 176.92 1ke6 h LEU 262 N 0.01 0.28 -0.55 2.23 5.85 -1.09 -2.68 115.31 119.37 1ke6 h LEU 262 Ca 0.03 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1ke6 h LEU 262 Cb 0.14 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1ke6 h LEU 262 CO -0.00 0.33 0.25 0.25 -0.34 0.00 0.00 178.44 178.92 1ke6 h LEU 263 N 0.22 0.32 -1.40 2.25 5.85 -0.83 -1.92 115.31 119.80 1ke6 h LEU 263 Ca 0.07 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1ke6 h LEU 263 Cb 0.12 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1ke6 h LEU 263 CO -0.01 0.21 0.41 0.77 -0.34 0.00 0.00 178.44 179.49 1ke6 h SER 264 N 0.47 0.69 1.29 1.25 4.64 -0.90 -1.11 113.55 119.89 1ke6 h SER 264 Ca 0.26 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 1ke6 h SER 264 Cb 0.23 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ke6 h SER 264 CO -0.22 0.50 -0.13 1.56 -0.87 0.00 0.00 176.83 177.67 1ke6 h GLN 265 N 0.82 0.00 0.00 4.77 4.20 -1.03 -2.81 115.11 121.05 1ke6 h GLN 265 Ca 0.23 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.88 1ke6 h GLN 265 Cb -0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1ke6 h GLN 265 CO -0.06 0.13 -0.63 0.52 -0.67 0.00 0.00 178.83 178.13 1ke6 h MET 266 N 0.00 0.00 -0.51 1.46 2.86 -0.60 -1.16 114.93 116.98 1ke6 h MET 266 Ca -0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 1ke6 h MET 266 Cb 0.81 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.39 1ke6 h MET 266 CO 0.02 0.22 0.12 1.28 1.06 0.00 0.00 176.91 179.60 1ke6 n LEU 267 N -3.02 4.97 -4.76 1.22 4.77 -0.61 -3.95 117.00 115.61 1ke6 n LEU 267 Ca 0.00 -3.29 -0.41 0.00 -0.03 0.00 0.00 56.01 52.28 1ke6 n LEU 267 Cb 0.66 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1ke6 n LEU 267 CO 0.39 0.87 1.01 -1.00 -1.33 0.00 0.00 177.39 177.33 1ke6 s HIS 268 N -3.01 3.06 0.07 -1.77 3.76 -1.10 -4.93 115.29 111.36 1ke6 s HIS 268 Ca 0.49 1.31 -0.26 0.00 -0.15 0.00 0.00 55.06 56.44 1ke6 s HIS 268 Cb 0.40 -3.71 -0.17 0.00 1.11 0.00 0.00 32.58 30.22 1ke6 s HIS 268 CO 0.09 -2.05 1.62 1.88 -0.85 0.00 0.00 174.74 175.42 1ke6 h TYR 269 N 3.95 -0.25 -2.56 1.40 0.99 -1.92 -3.42 116.97 115.17 1ke6 h TYR 269 Ca -0.48 -0.01 -0.56 0.00 2.00 0.00 0.00 58.73 59.69 1ke6 h TYR 269 Cb 1.22 0.08 -0.01 0.00 1.00 0.00 0.00 36.73 39.02 1ke6 h TYR 269 CO 0.57 -0.09 1.18 0.34 -0.00 0.00 0.00 178.16 180.17 1ke6 s ASP 270 N -5.03 6.34 0.49 3.88 -1.08 -1.26 -4.86 116.67 115.15 1ke6 s ASP 270 Ca -0.15 1.97 0.21 0.00 -0.52 0.00 0.00 52.55 54.07 1ke6 s ASP 270 Cb 0.05 -2.53 1.25 0.00 -1.46 0.00 0.00 42.92 40.23 1ke6 s ASP 270 CO 0.64 -1.24 1.97 -0.65 0.52 0.00 0.00 175.17 176.41 1ke6 h PRO 271 N 11.00 0.16 0.00 4.34 0.11 -1.96 -0.02 132.00 145.64 1ke6 h PRO 271 Ca -0.38 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1ke6 h PRO 271 Cb 1.18 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ke6 h PRO 271 CO 0.97 0.11 -0.03 -0.91 -0.21 0.00 0.00 178.00 177.94 1ke6 h ASN 272 N 0.17 0.00 0.33 -2.05 4.21 -1.95 -3.15 115.58 113.14 1ke6 h ASN 272 Ca 0.28 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.79 1ke6 h ASN 272 Cb 0.89 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.09 1ke6 h ASN 272 CO -0.04 0.03 -1.53 0.29 -1.29 0.00 0.00 177.43 174.88 1ke6 n LYS 273 N -3.11 0.55 -1.76 0.81 5.02 -0.09 -4.94 118.16 114.63 1ke6 n LYS 273 Ca 0.02 -0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.82 1ke6 n LYS 273 Cb 0.43 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.81 1ke6 n LYS 273 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ke6 s ARG 274 N -3.40 4.11 0.45 1.97 3.52 -0.78 -4.93 118.95 119.89 1ke6 s ARG 274 Ca -0.03 2.60 -0.25 0.00 -0.13 0.00 0.00 55.73 57.91 1ke6 s ARG 274 Cb 0.13 -3.02 -0.08 0.00 -1.56 0.00 0.00 34.95 30.42 1ke6 s ARG 274 CO 0.86 -0.65 1.37 -1.50 -0.81 0.00 0.00 175.30 174.57 1ke6 s ILE 275 N 0.02 2.28 0.53 4.11 2.07 -0.44 -5.01 121.20 124.77 1ke6 s ILE 275 Ca 0.64 0.24 -0.05 0.00 -1.41 0.00 0.00 60.65 60.07 1ke6 s ILE 275 Cb -0.48 -3.14 -0.02 0.00 0.13 0.00 0.00 42.46 38.95 1ke6 s ILE 275 CO 0.48 0.03 0.84 -0.94 -1.91 0.00 0.00 174.94 173.43 1ke6 s SER 276 N -0.69 5.94 0.17 4.50 1.04 -1.26 -4.90 113.70 118.51 1ke6 s SER 276 Ca 0.62 0.81 -0.14 0.00 0.48 0.00 0.00 55.95 57.72 1ke6 s SER 276 Cb -0.41 -1.98 0.08 0.00 0.10 0.00 0.00 66.02 63.82 1ke6 s SER 276 CO 0.52 -0.81 1.82 0.00 0.98 0.00 0.00 173.24 175.75 1ke6 h ALA 277 N 0.04 0.65 -0.41 5.32 0.00 -1.94 -1.26 119.26 121.66 1ke6 h ALA 277 Ca -0.46 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1ke6 h ALA 277 Cb 1.23 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1ke6 h ALA 277 CO 0.61 0.04 0.23 0.87 0.00 0.00 0.00 179.25 181.00 1ke6 h LYS 278 N 0.64 0.45 -0.11 0.00 1.79 -1.93 -2.18 116.57 115.24 1ke6 h LYS 278 Ca 0.20 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.53 1ke6 h LYS 278 Cb -0.01 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 1ke6 h LYS 278 CO -0.08 0.30 -0.43 0.00 -1.08 0.00 0.00 179.45 178.16 1ke6 h ALA 279 N 1.19 1.07 -0.14 3.86 0.00 -1.92 -2.85 119.26 120.47 1ke6 h ALA 279 Ca 0.17 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1ke6 h ALA 279 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ke6 h ALA 279 CO -0.09 0.61 -0.17 0.00 0.00 0.00 0.00 179.25 179.61 1ke6 h ALA 280 N 1.34 1.46 0.00 0.00 0.00 -0.80 -2.33 119.26 118.94 1ke6 h ALA 280 Ca 0.02 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1ke6 h ALA 280 Cb 0.85 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ke6 h ALA 280 CO 0.07 0.38 -0.12 -0.07 0.00 0.00 0.00 179.25 179.51 1ke6 h LEU 281 N 0.21 0.00 -1.49 0.00 3.38 -1.16 -1.68 115.31 114.58 1ke6 h LEU 281 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ke6 h LEU 281 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ke6 h LEU 281 CO 0.03 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1ke6 n ALA 282 N -2.30 2.50 -1.77 1.53 0.00 -0.88 -4.87 120.51 114.73 1ke6 n ALA 282 Ca -0.02 -0.62 -0.39 0.00 0.00 0.00 0.00 53.44 52.40 1ke6 n ALA 282 Cb 0.23 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.67 1ke6 n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ke6 s HIS 283 N -1.87 2.91 0.57 0.00 5.04 -0.63 -4.89 115.29 116.42 1ke6 s HIS 283 Ca 0.34 1.45 0.31 0.00 -1.54 0.00 0.00 55.06 55.62 1ke6 s HIS 283 Cb 0.20 -3.61 1.42 0.00 0.04 0.00 0.00 32.58 30.64 1ke6 s HIS 283 CO 0.31 -1.88 1.78 -1.35 -2.34 0.00 0.00 174.74 171.25 1ke6 h PRO 284 N 2.76 0.00 -0.11 2.88 0.11 -1.93 -1.17 132.00 134.55 1ke6 h PRO 284 Ca -0.49 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.65 1ke6 h PRO 284 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ke6 h PRO 284 CO 0.63 0.00 0.11 0.35 -0.21 0.00 0.00 178.00 178.88 1ke6 h PHE 285 N 0.00 0.00 -0.69 0.65 3.04 -1.90 -2.30 116.94 115.74 1ke6 h PHE 285 Ca 0.38 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.33 1ke6 h PHE 285 Cb 1.82 0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.33 1ke6 h PHE 285 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 178.31 177.48 1ke6 n PHE 286 N -3.95 1.28 -0.20 0.41 3.72 -0.44 -4.51 117.46 113.77 1ke6 n PHE 286 Ca -0.00 -0.55 -0.03 0.00 -0.05 0.00 0.00 57.45 56.82 1ke6 n PHE 286 Cb 0.22 -0.14 0.17 0.00 -0.94 0.00 0.00 39.48 38.79 1ke6 n PHE 286 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1ke6 h GLN 287 N 4.21 0.99 -0.69 -1.08 4.20 -1.57 -2.95 115.11 118.22 1ke6 h GLN 287 Ca 0.00 -0.15 -0.37 0.00 0.06 0.00 0.00 58.65 58.20 1ke6 h GLN 287 Cb 1.26 -0.18 -0.22 0.00 0.30 0.00 0.00 27.48 28.64 1ke6 h GLN 287 CO 0.13 0.78 0.29 -0.40 -0.67 0.00 0.00 178.83 178.96 1ke6 n ASP 288 N -4.32 3.27 -4.77 1.46 5.75 -1.26 -5.02 116.55 111.67 1ke6 n ASP 288 Ca 0.06 -3.71 -0.39 0.00 -0.01 0.00 0.00 54.79 50.74 1ke6 n ASP 288 Cb 0.15 -0.74 -0.03 0.00 -1.03 0.00 0.00 41.12 39.48 1ke6 n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ke6 s VAL 289 N -3.35 3.21 0.32 2.12 0.11 -1.12 -5.04 120.40 116.65 1ke6 s VAL 289 Ca 0.51 1.06 0.06 0.00 -2.93 0.00 0.00 61.98 60.68 1ke6 s VAL 289 Cb 0.45 -3.61 -0.02 0.00 -1.53 0.00 0.00 36.38 31.66 1ke6 s VAL 289 CO 0.05 0.14 0.20 0.35 -3.33 0.00 0.00 175.10 172.51 1ke6 n THR 290 N 0.33 0.00 -3.77 5.04 -2.24 -1.26 -5.09 114.28 107.29 1ke6 n THR 290 Ca 0.03 -2.16 -0.28 0.00 -2.27 0.00 0.00 64.05 59.37 1ke6 n THR 290 Cb 0.46 0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 69.52 1ke6 n THR 290 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1ke6 s LYS 291 N -3.28 1.94 0.78 -0.78 2.20 -1.26 -4.41 119.74 114.93 1ke6 s LYS 291 Ca 0.29 -2.87 -0.11 0.00 -0.36 0.00 0.00 55.97 52.91 1ke6 s LYS 291 Cb 0.01 -2.84 0.06 0.00 -1.51 0.00 0.00 37.83 33.55 1ke6 s LYS 291 CO 0.20 -1.28 1.09 -1.25 -0.36 0.00 0.00 175.35 173.75 1ke6 s PRO 292 N -0.83 2.27 -0.20 4.03 0.04 -1.26 -5.02 135.00 134.02 1ke6 s PRO 292 Ca 0.25 0.65 -0.05 0.00 0.04 0.00 0.00 61.00 61.90 1ke6 s PRO 292 Cb -0.06 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 1ke6 s PRO 292 CO -0.14 -1.50 0.00 0.14 0.04 0.00 0.00 177.00 175.55 1ke6 s VAL 293 N -3.17 4.04 0.59 -0.36 -7.23 -1.26 -4.59 120.40 108.42 1ke6 s VAL 293 Ca 0.60 -0.29 -0.14 0.00 -1.81 0.00 0.00 61.98 60.34 1ke6 s VAL 293 Cb -0.14 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 1ke6 s VAL 293 CO 0.54 0.43 1.03 -2.16 -0.31 0.00 0.00 175.10 174.63 1ke6 s PRO 294 N 0.90 3.54 -0.64 4.82 0.04 -1.26 -5.01 135.00 137.40 1ke6 s PRO 294 Ca 0.01 0.96 -0.18 0.00 0.04 0.00 0.00 61.00 61.83 1ke6 s PRO 294 Cb -0.14 -2.07 0.12 0.00 0.04 0.00 0.00 34.50 32.44 1ke6 s PRO 294 CO 0.02 -0.61 0.73 -1.58 0.04 0.00 0.00 177.00 175.60 1ke6 s HIS 295 N -2.80 3.08 -0.04 0.56 2.46 -1.26 -4.96 115.29 112.33 1ke6 s HIS 295 Ca 0.59 -1.10 -0.10 0.00 0.47 0.00 0.00 55.06 54.92 1ke6 s HIS 295 Cb -0.12 -4.01 -0.05 0.00 -0.13 0.00 0.00 32.58 28.27 1ke6 s HIS 295 CO 0.42 -1.27 0.27 -0.51 -2.47 0.00 0.00 174.74 171.18 1ke6 s LEU 296 N 2.42 4.41 -0.40 8.88 1.43 -1.26 -5.06 118.68 129.10 1ke6 s LEU 296 Ca 0.13 0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 53.87 1ke6 s LEU 296 Cb -0.22 -2.41 0.10 0.00 0.03 0.00 0.00 46.19 43.69 1ke6 s LEU 296 CO 0.03 0.34 0.19 -0.13 0.23 0.00 0.00 176.35 177.01 1ke6 s ARG 297 N -1.25 2.03 0.00 1.70 0.52 -1.26 -5.13 118.95 115.56 1ke6 s ARG 297 Ca 0.21 -1.77 0.28 0.00 -0.52 0.00 0.00 55.73 53.93 1ke6 s ARG 297 Cb -0.14 -3.55 0.98 0.00 0.52 0.00 0.00 34.95 32.77 1ke6 s ARG 297 CO 0.10 -1.03 1.71 1.28 0.02 0.00 0.00 175.30 177.38