#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ke8 n GLU 2 N 0.00 0.76 -0.13 2.12 4.71 -1.26 -2.10 120.64 124.74 1ke8 n GLU 2 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.26 1ke8 n GLU 2 Cb 0.00 -1.46 0.30 0.00 -1.01 0.00 0.00 31.44 29.27 1ke8 n GLU 2 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1ke8 n ASN 3 N -0.96 2.33 -4.10 1.62 5.03 -1.26 -4.86 115.26 113.06 1ke8 n ASN 3 Ca 0.17 -1.83 -0.22 0.00 0.87 0.00 0.00 54.58 53.56 1ke8 n ASN 3 Cb 0.08 -0.17 -0.15 0.00 -1.02 0.00 0.00 39.78 38.52 1ke8 n ASN 3 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1ke8 s PHE 4 N -1.66 1.22 -0.26 3.10 0.08 -0.89 -0.68 117.98 118.88 1ke8 s PHE 4 Ca 0.34 -0.24 -0.06 0.00 0.12 0.00 0.00 56.93 57.09 1ke8 s PHE 4 Cb 0.19 -0.79 -0.00 0.00 -0.57 0.00 0.00 43.02 41.85 1ke8 s PHE 4 CO 0.27 -0.03 0.03 -1.14 -0.10 0.00 0.00 175.22 174.26 1ke8 s GLN 5 N -0.28 3.25 0.22 0.44 0.74 -0.47 -4.92 119.66 118.63 1ke8 s GLN 5 Ca 0.05 -0.73 -0.30 0.00 0.05 0.00 0.00 55.36 54.42 1ke8 s GLN 5 Cb -0.06 -3.23 -0.09 0.00 1.10 0.00 0.00 33.01 30.73 1ke8 s GLN 5 CO -0.00 -0.32 1.37 0.15 -0.55 0.00 0.00 175.29 175.93 1ke8 s LYS 6 N 1.50 4.34 -0.15 1.67 3.01 -1.26 -1.55 119.74 127.29 1ke8 s LYS 6 Ca 0.04 2.16 -0.00 0.00 -1.01 0.00 0.00 55.97 57.15 1ke8 s LYS 6 Cb -0.16 -3.16 -0.09 0.00 -1.01 0.00 0.00 37.83 33.41 1ke8 s LYS 6 CO 0.01 -0.33 -0.14 0.28 0.51 0.00 0.00 175.35 175.67 1ke8 n VAL 7 N 2.56 0.86 -3.69 3.17 0.31 0.14 -4.95 118.33 116.73 1ke8 n VAL 7 Ca 0.07 -0.31 -0.10 0.00 -0.01 0.00 0.00 64.34 63.98 1ke8 n VAL 7 Cb 0.42 -1.15 -0.05 0.00 -0.91 0.00 0.00 33.84 32.15 1ke8 n VAL 7 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1ke8 s GLU 8 N -2.30 0.99 -0.22 5.55 2.12 -1.23 -5.04 118.70 118.57 1ke8 s GLU 8 Ca -0.20 -0.72 -0.12 0.00 0.36 0.00 0.00 54.97 54.28 1ke8 s GLU 8 Cb 0.06 0.43 -0.05 0.00 0.26 0.00 0.00 34.13 34.83 1ke8 s GLU 8 CO 0.33 -0.37 0.22 0.21 -0.54 0.00 0.00 175.26 175.12 1ke8 s LYS 9 N -3.63 4.12 0.00 4.30 2.20 -1.26 -1.70 119.74 123.76 1ke8 s LYS 9 Ca 0.02 -0.13 0.25 0.00 -0.36 0.00 0.00 55.97 55.75 1ke8 s LYS 9 Cb 0.02 -3.52 0.53 0.00 -1.51 0.00 0.00 37.83 33.35 1ke8 s LYS 9 CO -0.11 0.06 1.42 -0.89 -0.36 0.00 0.00 175.35 175.48 1ke8 n ILE 10 N 4.20 0.00 0.00 5.43 2.08 0.65 -4.93 119.36 126.79 1ke8 n ILE 10 Ca -0.13 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.12 1ke8 n ILE 10 Cb 0.52 0.39 0.00 0.00 -0.75 0.00 0.00 39.64 39.80 1ke8 n ILE 10 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ke8 n GLY 11 N 1.44 4.03 3.37 7.39 0.00 -1.18 -4.95 105.19 115.29 1ke8 n GLY 11 Ca 0.08 -1.61 -0.45 0.00 0.00 0.00 0.00 46.02 44.04 1ke8 n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ke8 s GLU 12 N -3.31 3.03 0.07 1.61 2.02 -1.26 -0.65 118.70 120.22 1ke8 s GLU 12 Ca 0.00 -1.37 -0.01 0.00 0.02 0.00 0.00 54.97 53.61 1ke8 s GLU 12 Cb 0.00 -4.25 0.02 0.00 0.10 0.00 0.00 34.13 30.00 1ke8 s GLU 12 CO 0.00 -1.41 0.06 0.41 0.02 0.00 0.00 175.26 174.34 1ke8 n GLY 13 N 5.26 -2.55 0.20 -1.39 0.00 0.20 -4.91 105.19 102.00 1ke8 n GLY 13 Ca -0.11 -1.44 -0.14 0.00 0.00 0.00 0.00 46.02 44.34 1ke8 n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1ke8 h THR 14 N -1.61 1.33 -0.50 2.61 2.02 -2.02 -3.26 112.91 111.48 1ke8 h THR 14 Ca -0.02 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.07 1ke8 h THR 14 Cb 0.07 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1ke8 h THR 14 CO 0.01 0.65 0.00 -1.22 0.37 0.00 0.00 175.52 175.33 1ke8 n TYR 15 N -3.88 1.71 0.00 3.16 4.02 -1.26 -5.00 117.16 115.91 1ke8 n TYR 15 Ca -0.06 -0.75 0.00 0.00 -0.01 0.00 0.00 57.90 57.08 1ke8 n TYR 15 Cb 0.75 -0.43 0.00 0.00 -0.02 0.00 0.00 39.34 39.64 1ke8 n TYR 15 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ke8 n GLY 16 N 0.39 1.89 3.80 2.72 0.00 -1.23 -2.22 105.19 110.54 1ke8 n GLY 16 Ca 0.26 -1.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 1ke8 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ke8 s VAL 17 N -1.47 4.57 -0.13 1.61 1.01 -1.10 0.63 120.40 125.52 1ke8 s VAL 17 Ca 0.00 1.38 -0.01 0.00 0.00 0.00 0.00 61.98 63.35 1ke8 s VAL 17 Cb 0.00 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1ke8 s VAL 17 CO 0.00 0.44 -0.08 -0.69 0.00 0.00 0.00 175.10 174.77 1ke8 s VAL 18 N -1.25 3.53 0.08 2.92 1.01 0.18 -1.43 120.40 125.44 1ke8 s VAL 18 Ca 0.35 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.90 1ke8 s VAL 18 Cb -0.20 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 1ke8 s VAL 18 CO 0.22 0.53 -0.19 -0.31 0.00 0.00 0.00 175.10 175.35 1ke8 s TYR 19 N 0.09 1.63 -0.08 5.22 1.51 0.11 -0.26 117.35 125.58 1ke8 s TYR 19 Ca -0.03 -0.41 -0.22 0.00 -1.01 0.00 0.00 57.07 55.40 1ke8 s TYR 19 Cb -0.14 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1ke8 s TYR 19 CO 0.04 0.14 0.66 0.21 -1.11 0.00 0.00 175.55 175.49 1ke8 s LYS 20 N -1.67 4.41 0.10 -0.62 2.20 -0.69 0.34 119.74 123.81 1ke8 s LYS 20 Ca 0.05 0.80 -0.02 0.00 -0.36 0.00 0.00 55.97 56.44 1ke8 s LYS 20 Cb -0.10 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1ke8 s LYS 20 CO 0.03 0.05 0.04 0.00 -0.36 0.00 0.00 175.35 175.12 1ke8 s ALA 21 N 0.86 0.62 -0.09 3.13 0.00 -0.06 -0.68 121.76 125.54 1ke8 s ALA 21 Ca 0.35 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 51.05 1ke8 s ALA 21 Cb -0.17 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 1ke8 s ALA 21 CO 0.16 -0.45 -0.18 0.50 0.00 0.00 0.00 175.76 175.79 1ke8 s ARG 22 N -3.98 2.92 -0.45 0.00 3.52 -0.60 -0.76 118.95 119.60 1ke8 s ARG 22 Ca 0.16 -0.78 -0.29 0.00 -0.13 0.00 0.00 55.73 54.69 1ke8 s ARG 22 Cb 0.07 -2.40 0.02 0.00 -1.56 0.00 0.00 34.95 31.09 1ke8 s ARG 22 CO -0.04 0.34 1.20 1.21 -0.81 0.00 0.00 175.30 177.20 1ke8 s ASN 23 N -0.02 6.59 0.23 -2.12 3.84 -0.48 -1.37 114.94 121.60 1ke8 s ASN 23 Ca -0.06 0.59 -0.12 0.00 0.21 0.00 0.00 52.86 53.48 1ke8 s ASN 23 Cb -0.15 -2.55 0.30 0.00 -0.55 0.00 0.00 41.25 38.31 1ke8 s ASN 23 CO 0.05 -1.27 1.60 0.11 -2.79 0.00 0.00 177.10 174.80 1ke8 h LYS 24 N 9.49 -0.01 0.00 0.43 6.56 -1.25 0.61 116.57 132.39 1ke8 h LYS 24 Ca -0.24 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.35 1ke8 h LYS 24 Cb 1.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 1ke8 h LYS 24 CO 1.11 -0.01 0.00 1.28 -2.06 0.00 0.00 179.45 179.78 1ke8 n LEU 25 N -5.49 0.00 -0.11 2.94 4.32 -1.26 -4.18 117.00 113.22 1ke8 n LEU 25 Ca 0.10 0.20 -0.06 0.00 -0.02 0.00 0.00 56.01 56.24 1ke8 n LEU 25 Cb 0.38 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.19 1ke8 n LEU 25 CO -0.01 0.00 0.73 0.74 -1.22 0.00 0.00 177.39 177.63 1ke8 h THR 26 N 0.00 0.45 0.00 -5.08 2.02 -1.95 -3.46 112.91 104.89 1ke8 h THR 26 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ke8 h THR 26 Cb 0.00 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 1ke8 h THR 26 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1ke8 n GLY 27 N -1.37 0.44 3.77 2.16 0.00 0.21 -5.02 105.19 105.39 1ke8 n GLY 27 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1ke8 n GLY 27 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ke8 s GLU 28 N -0.86 3.69 -0.11 1.61 -1.05 -1.26 -4.63 118.70 116.08 1ke8 s GLU 28 Ca 0.00 1.72 -0.17 0.00 -0.15 0.00 0.00 54.97 56.38 1ke8 s GLU 28 Cb 0.00 -2.32 -0.05 0.00 -0.44 0.00 0.00 34.13 31.32 1ke8 s GLU 28 CO 0.00 -0.60 0.43 0.08 0.95 0.00 0.00 175.26 176.12 1ke8 s VAL 29 N -1.60 5.19 0.23 1.83 1.01 -1.26 -1.38 120.40 124.41 1ke8 s VAL 29 Ca 0.65 0.86 0.01 0.00 0.00 0.00 0.00 61.98 63.50 1ke8 s VAL 29 Cb -0.27 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1ke8 s VAL 29 CO 0.33 0.37 0.16 0.68 0.00 0.00 0.00 175.10 176.64 1ke8 s VAL 30 N 0.35 0.04 -0.30 2.92 -7.23 0.06 -4.31 120.40 111.93 1ke8 s VAL 30 Ca 0.24 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.30 1ke8 s VAL 30 Cb -0.15 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 1ke8 s VAL 30 CO 0.09 0.00 0.18 0.00 -0.31 0.00 0.00 175.10 175.06 1ke8 s ALA 31 N -3.98 3.41 -0.27 1.32 0.00 -0.14 -0.88 121.76 121.22 1ke8 s ALA 31 Ca 0.39 -1.25 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 1ke8 s ALA 31 Cb 0.06 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 1ke8 s ALA 31 CO 0.15 -0.75 0.15 -1.17 0.00 0.00 0.00 175.76 174.15 1ke8 s LEU 32 N 1.69 3.85 -0.28 0.00 2.96 0.15 -0.83 118.68 126.23 1ke8 s LEU 32 Ca 0.06 -0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 1ke8 s LEU 32 Cb -0.17 -2.06 0.02 0.00 0.50 0.00 0.00 46.19 44.49 1ke8 s LEU 32 CO 0.09 -0.03 0.01 -0.75 -1.32 0.00 0.00 176.35 174.34 1ke8 s LYS 33 N 1.64 2.84 -0.25 1.98 2.20 0.19 0.07 119.74 128.42 1ke8 s LYS 33 Ca 0.07 -1.00 -0.22 0.00 -0.36 0.00 0.00 55.97 54.47 1ke8 s LYS 33 Cb -0.16 -3.18 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 1ke8 s LYS 33 CO 0.08 -0.47 0.69 0.15 -0.36 0.00 0.00 175.35 175.44 1ke8 s LYS 34 N 1.38 4.14 0.09 4.03 1.02 -0.51 -0.86 119.74 129.02 1ke8 s LYS 34 Ca -0.00 0.67 -0.25 0.00 0.02 0.00 0.00 55.97 56.41 1ke8 s LYS 34 Cb -0.17 -3.64 -0.06 0.00 -0.52 0.00 0.00 37.83 33.43 1ke8 s LYS 34 CO -0.01 -0.43 0.79 0.42 -0.92 0.00 0.00 175.35 175.19 1ke8 s ILE 35 N 2.56 4.60 0.00 2.17 -1.09 -0.57 -2.70 121.20 126.17 1ke8 s ILE 35 Ca 0.29 1.69 0.00 0.00 -2.23 0.00 0.00 60.65 60.40 1ke8 s ILE 35 Cb -0.15 -4.14 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1ke8 s ILE 35 CO 0.08 0.41 0.00 0.54 -1.23 0.00 0.00 174.94 174.74 1ke8 n ARG 36 N 2.44 0.00 -3.63 2.79 3.00 -0.94 -4.65 116.66 115.67 1ke8 n ARG 36 Ca -0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.85 57.76 1ke8 n ARG 36 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.89 1ke8 n ARG 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1ke8 s VAL 44 N 0.00 -0.23 0.54 1.55 1.01 -1.26 -4.87 120.40 117.13 1ke8 s VAL 44 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 61.77 1ke8 s VAL 44 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 1ke8 s VAL 44 CO 0.00 0.00 1.24 -2.16 0.00 0.00 0.00 175.10 174.18 1ke8 s PRO 45 N 1.90 3.25 0.45 2.72 0.04 -1.26 -4.91 135.00 137.20 1ke8 s PRO 45 Ca -0.09 1.93 0.14 0.00 0.04 0.00 0.00 61.00 63.03 1ke8 s PRO 45 Cb -0.06 -2.17 1.03 0.00 0.04 0.00 0.00 34.50 33.34 1ke8 s PRO 45 CO -0.19 -1.01 2.02 0.66 0.04 0.00 0.00 177.00 178.52 1ke8 h SER 46 N 1.40 0.05 -0.69 6.66 4.64 -2.01 -2.74 113.55 120.85 1ke8 h SER 46 Ca -0.50 -0.01 0.06 0.00 -0.47 0.00 0.00 61.79 60.87 1ke8 h SER 46 Cb 1.28 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 1ke8 h SER 46 CO 0.57 0.18 0.38 0.71 -0.87 0.00 0.00 176.83 177.80 1ke8 h THR 47 N 0.06 0.96 -0.35 2.95 1.35 -1.95 -1.50 112.91 114.43 1ke8 h THR 47 Ca 0.01 -0.24 -0.08 0.00 -0.55 0.00 0.00 66.41 65.55 1ke8 h THR 47 Cb 0.24 0.20 -0.01 0.00 -1.73 0.00 0.00 68.15 66.85 1ke8 h THR 47 CO 0.02 0.13 -0.08 0.00 -0.25 0.00 0.00 175.52 175.33 1ke8 h ALA 48 N 1.36 0.48 -0.39 6.62 0.00 -1.66 -1.74 119.26 123.93 1ke8 h ALA 48 Ca 0.31 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1ke8 h ALA 48 Cb 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1ke8 h ALA 48 CO -0.19 0.32 0.07 0.82 0.00 0.00 0.00 179.25 180.27 1ke8 h ILE 49 N 0.46 0.78 -0.50 0.00 1.08 -1.33 0.20 117.51 118.20 1ke8 h ILE 49 Ca 0.09 -0.06 -0.09 0.00 -0.39 0.00 0.00 64.86 64.40 1ke8 h ILE 49 Cb 0.59 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.90 1ke8 h ILE 49 CO 0.03 0.03 -0.05 0.03 -0.69 0.00 0.00 178.15 177.51 1ke8 h ARG 50 N 0.19 0.92 -0.27 2.37 3.08 -1.26 -1.36 114.38 118.05 1ke8 h ARG 50 Ca 0.19 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 59.93 1ke8 h ARG 50 Cb 0.23 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1ke8 h ARG 50 CO -0.26 0.97 0.15 0.93 -1.07 0.00 0.00 179.97 180.69 1ke8 h GLU 51 N 0.78 0.30 -0.72 0.04 4.39 -0.64 -2.32 114.58 116.40 1ke8 h GLU 51 Ca 0.14 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1ke8 h GLU 51 Cb 0.59 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1ke8 h GLU 51 CO 0.04 0.20 0.36 0.82 -1.16 0.00 0.00 179.01 179.26 1ke8 h ILE 52 N 0.30 1.23 -0.85 3.13 1.08 -0.55 -2.60 117.51 119.26 1ke8 h ILE 52 Ca 0.11 -0.63 0.15 0.00 -0.39 0.00 0.00 64.86 64.10 1ke8 h ILE 52 Cb 0.01 0.33 -0.06 0.00 -3.07 0.00 0.00 36.82 34.02 1ke8 h ILE 52 CO -0.06 0.27 0.56 0.28 -0.69 0.00 0.00 178.15 178.50 1ke8 h SER 53 N 1.00 0.55 -0.47 1.72 0.02 -0.72 -0.91 113.55 114.74 1ke8 h SER 53 Ca 0.25 0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 61.11 1ke8 h SER 53 Cb 0.09 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1ke8 h SER 53 CO -0.03 0.27 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.67 1ke8 h LEU 54 N 0.58 1.00 -1.94 5.07 3.38 -1.05 -2.97 115.31 119.37 1ke8 h LEU 54 Ca 0.43 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ke8 h LEU 54 Cb 0.81 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ke8 h LEU 54 CO -0.18 1.15 -0.03 -0.07 0.09 0.00 0.00 178.44 179.40 1ke8 h LEU 55 N 0.85 0.00 -2.43 1.67 3.38 -1.10 -1.29 115.31 116.39 1ke8 h LEU 55 Ca 0.12 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ke8 h LEU 55 Cb 0.76 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ke8 h LEU 55 CO 0.06 0.03 0.02 0.50 0.09 0.00 0.00 178.44 179.14 1ke8 h LYS 56 N 0.00 0.00 0.00 1.13 3.64 -1.34 -0.40 116.57 119.60 1ke8 h LYS 56 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ke8 h LYS 56 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1ke8 h LYS 56 CO 0.00 0.00 -0.48 0.39 -2.27 0.00 0.00 179.45 177.10 1ke8 n GLU 57 N -3.87 0.21 -2.39 1.90 -0.58 -0.49 -4.72 120.64 110.70 1ke8 n GLU 57 Ca -0.03 0.08 -0.37 0.00 -0.42 0.00 0.00 57.16 56.43 1ke8 n GLU 57 Cb 0.11 -1.65 -0.04 0.00 -0.57 0.00 0.00 31.44 29.29 1ke8 n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1ke8 s LEU 58 N -3.91 3.36 -0.19 -4.62 2.96 -0.16 -4.96 118.68 111.16 1ke8 s LEU 58 Ca 0.08 -1.06 -0.04 0.00 -0.22 0.00 0.00 54.13 52.89 1ke8 s LEU 58 Cb 0.15 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 1ke8 s LEU 58 CO 0.69 -1.94 -0.03 0.20 -1.32 0.00 0.00 176.35 173.95 1ke8 s ASN 59 N 5.92 4.64 -0.21 3.68 0.01 -1.26 -4.80 114.94 122.92 1ke8 s ASN 59 Ca 0.53 -0.24 -0.26 0.00 -0.71 0.00 0.00 52.86 52.18 1ke8 s ASN 59 Cb -0.03 -1.78 0.07 0.00 0.41 0.00 0.00 41.25 39.92 1ke8 s ASN 59 CO -0.04 0.07 0.70 -2.28 -1.51 0.00 0.00 177.10 174.04 1ke8 s HIS 60 N 0.94 -0.75 0.65 2.20 2.46 -1.26 -5.05 115.29 114.48 1ke8 s HIS 60 Ca 0.00 1.69 0.36 0.00 0.47 0.00 0.00 55.06 57.59 1ke8 s HIS 60 Cb -0.14 0.30 2.01 0.00 -0.13 0.00 0.00 32.58 34.62 1ke8 s HIS 60 CO 0.01 -0.44 2.17 -1.00 -2.47 0.00 0.00 174.74 173.01 1ke8 h PRO 61 N 4.48 0.00 -0.30 2.88 0.13 -2.00 -1.93 132.00 135.26 1ke8 h PRO 61 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 1ke8 h PRO 61 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1ke8 h PRO 61 CO 0.14 0.00 0.01 0.09 -0.23 0.00 0.00 178.00 178.01 1ke8 n ASN 62 N -3.17 3.98 -4.06 1.44 4.13 -1.26 -4.86 115.26 111.46 1ke8 n ASN 62 Ca -0.02 -3.06 -0.27 0.00 1.68 0.00 0.00 54.58 52.91 1ke8 n ASN 62 Cb 0.22 -0.57 -0.17 0.00 -1.54 0.00 0.00 39.78 37.73 1ke8 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1ke8 s ILE 63 N -2.86 1.36 -0.09 2.41 -1.09 -0.73 -1.11 121.20 119.08 1ke8 s ILE 63 Ca 0.44 -0.59 -0.29 0.00 -2.23 0.00 0.00 60.65 57.97 1ke8 s ILE 63 Cb 0.36 -1.23 -0.06 0.00 -1.58 0.00 0.00 42.46 39.95 1ke8 s ILE 63 CO 0.09 0.41 1.79 -0.69 -1.23 0.00 0.00 174.94 175.31 1ke8 s VAL 64 N 0.74 3.40 0.23 2.92 1.01 -0.22 -4.61 120.40 123.87 1ke8 s VAL 64 Ca -0.12 0.47 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 1ke8 s VAL 64 Cb -0.16 -3.35 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 1ke8 s VAL 64 CO 0.03 -0.10 1.55 -0.75 0.00 0.00 0.00 175.10 175.83 1ke8 s LYS 65 N 4.58 4.20 -0.53 2.72 2.20 -1.26 -4.85 119.74 126.79 1ke8 s LYS 65 Ca 0.80 2.43 -0.21 0.00 -0.36 0.00 0.00 55.97 58.63 1ke8 s LYS 65 Cb -0.34 -3.09 0.06 0.00 -1.51 0.00 0.00 37.83 32.95 1ke8 s LYS 65 CO 0.33 -0.57 0.74 -1.17 -0.36 0.00 0.00 175.35 174.33 1ke8 s LEU 66 N 0.17 4.71 -0.07 5.43 2.96 -1.26 -1.71 118.68 128.91 1ke8 s LEU 66 Ca 0.65 -0.79 -0.27 0.00 -0.22 0.00 0.00 54.13 53.50 1ke8 s LEU 66 Cb -0.45 -2.55 -0.23 0.00 0.50 0.00 0.00 46.19 43.47 1ke8 s LEU 66 CO 0.40 -1.04 1.07 -0.07 -1.32 0.00 0.00 176.35 175.39 1ke8 h LEU 67 N 10.19 0.00 -7.53 -0.68 3.38 -0.81 -3.44 115.31 116.43 1ke8 h LEU 67 Ca -0.27 -0.69 -0.10 0.00 0.09 0.00 0.00 57.88 56.90 1ke8 h LEU 67 Cb 1.09 -0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.66 1ke8 h LEU 67 CO 1.02 0.70 -0.25 -1.81 0.09 0.00 0.00 178.44 178.19 1ke8 s ASP 68 N -5.91 -0.16 -0.17 -0.43 -0.00 -0.98 -5.00 116.67 104.02 1ke8 s ASP 68 Ca -0.17 -0.07 0.01 0.00 -0.00 0.00 0.00 52.55 52.32 1ke8 s ASP 68 Cb -0.00 0.35 0.02 0.00 -0.00 0.00 0.00 42.92 43.28 1ke8 s ASP 68 CO 0.68 -0.56 -0.20 -0.69 -0.00 0.00 0.00 175.17 174.40 1ke8 s VAL 69 N -2.10 2.04 -0.31 -1.27 1.01 -1.26 -0.78 120.40 117.72 1ke8 s VAL 69 Ca -0.08 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1ke8 s VAL 69 Cb -0.02 -1.83 0.05 0.00 0.00 0.00 0.00 36.38 34.57 1ke8 s VAL 69 CO -0.00 0.54 0.02 -0.63 0.00 0.00 0.00 175.10 175.03 1ke8 s ILE 70 N 1.15 3.14 -0.61 2.22 1.01 0.22 -5.00 121.20 123.33 1ke8 s ILE 70 Ca 0.01 -1.34 -0.04 0.00 0.00 0.00 0.00 60.65 59.28 1ke8 s ILE 70 Cb -0.14 -2.80 0.16 0.00 0.01 0.00 0.00 42.46 39.69 1ke8 s ILE 70 CO -0.09 -0.12 0.44 -2.28 0.00 0.00 0.00 174.94 172.88 1ke8 s HIS 71 N 1.28 3.46 0.06 3.97 2.46 -1.26 -0.79 115.29 124.47 1ke8 s HIS 71 Ca -0.04 -2.57 0.06 0.00 0.47 0.00 0.00 55.06 52.97 1ke8 s HIS 71 Cb -0.20 -3.28 -0.03 0.00 -0.13 0.00 0.00 32.58 28.95 1ke8 s HIS 71 CO -0.00 -0.88 -0.17 0.99 -2.47 0.00 0.00 174.74 172.21 1ke8 s THR 72 N 0.16 1.38 -1.61 0.89 2.01 -0.55 -4.78 115.64 113.14 1ke8 s THR 72 Ca 0.15 -1.20 -0.11 0.00 0.31 0.00 0.00 61.69 60.84 1ke8 s THR 72 Cb -0.20 -1.25 0.10 0.00 0.01 0.00 0.00 72.50 71.16 1ke8 s THR 72 CO -0.04 0.02 0.57 -0.62 -0.69 0.00 0.00 174.62 173.86 1ke8 n GLU 73 N 1.65 -2.78 -1.98 4.92 1.02 -1.26 0.64 120.64 122.85 1ke8 n GLU 73 Ca -0.18 0.33 -0.18 0.00 -0.02 0.00 0.00 57.16 57.11 1ke8 n GLU 73 Cb 0.54 -4.72 -0.04 0.00 -0.02 0.00 0.00 31.44 27.19 1ke8 n GLU 73 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ke8 n ASN 74 N -2.77 -4.96 -4.42 1.62 3.02 -1.26 -4.97 115.26 101.52 1ke8 n ASN 74 Ca -0.09 0.25 -0.29 0.00 -0.03 0.00 0.00 54.58 54.42 1ke8 n ASN 74 Cb 0.57 -4.29 -0.12 0.00 -0.61 0.00 0.00 39.78 35.33 1ke8 n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ke8 s LYS 75 N -4.30 1.55 -0.15 3.52 1.02 0.21 -4.50 119.74 117.09 1ke8 s LYS 75 Ca 0.00 -1.28 0.01 0.00 0.02 0.00 0.00 55.97 54.72 1ke8 s LYS 75 Cb 0.00 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 1ke8 s LYS 75 CO 0.00 0.46 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.56 1ke8 s LEU 76 N -2.05 2.38 -0.08 3.17 2.96 -1.26 -1.49 118.68 122.31 1ke8 s LEU 76 Ca 0.15 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1ke8 s LEU 76 Cb -0.10 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.06 1ke8 s LEU 76 CO 0.07 0.08 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.72 1ke8 s TYR 77 N 0.86 1.74 -0.16 5.38 2.02 0.03 -1.51 117.35 125.71 1ke8 s TYR 77 Ca -0.05 -0.69 -0.03 0.00 -0.37 0.00 0.00 57.07 55.92 1ke8 s TYR 77 Cb -0.15 -1.25 -0.03 0.00 -0.40 0.00 0.00 41.96 40.14 1ke8 s TYR 77 CO -0.01 -0.34 -0.04 -0.51 -1.57 0.00 0.00 175.55 173.08 1ke8 s LEU 78 N 0.67 3.21 -0.27 -1.29 1.43 -0.04 -0.61 118.68 121.77 1ke8 s LEU 78 Ca -0.14 -0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 1ke8 s LEU 78 Cb -0.16 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 1ke8 s LEU 78 CO 0.04 0.16 0.08 -0.69 0.23 0.00 0.00 176.35 176.17 1ke8 s VAL 79 N 0.41 4.16 0.30 -1.59 1.01 0.04 -0.63 120.40 124.09 1ke8 s VAL 79 Ca -0.04 -0.42 0.10 0.00 0.00 0.00 0.00 61.98 61.61 1ke8 s VAL 79 Cb -0.14 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 1ke8 s VAL 79 CO 0.03 0.21 -0.01 -0.36 0.00 0.00 0.00 175.10 174.98 1ke8 s PHE 80 N 1.56 2.60 0.69 5.22 0.40 -0.01 -0.07 117.98 128.37 1ke8 s PHE 80 Ca 0.05 -0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 55.91 1ke8 s PHE 80 Cb -0.16 -1.31 0.01 0.00 0.51 0.00 0.00 43.02 42.07 1ke8 s PHE 80 CO 0.03 0.56 1.12 -1.83 0.70 0.00 0.00 175.22 175.79 1ke8 s GLU 81 N -3.69 2.62 -0.12 0.44 -1.05 -0.69 -0.97 118.70 115.24 1ke8 s GLU 81 Ca 0.33 1.40 -0.03 0.00 -0.15 0.00 0.00 54.97 56.52 1ke8 s GLU 81 Cb -0.04 -1.93 -0.03 0.00 -0.44 0.00 0.00 34.13 31.69 1ke8 s GLU 81 CO 0.19 -1.39 -0.02 0.12 0.95 0.00 0.00 175.26 175.11 1ke8 s PHE 82 N -2.40 3.07 0.02 4.83 5.36 -1.26 -4.32 117.98 123.29 1ke8 s PHE 82 Ca 0.67 -0.06 0.07 0.00 -0.96 0.00 0.00 56.93 56.65 1ke8 s PHE 82 Cb -0.21 -1.87 -0.02 0.00 -0.34 0.00 0.00 43.02 40.58 1ke8 s PHE 82 CO 0.44 0.21 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.70 1ke8 s LEU 83 N -0.25 2.12 0.06 6.12 1.02 -1.26 -5.01 118.68 121.48 1ke8 s LEU 83 Ca 0.05 -0.46 0.22 0.00 0.02 0.00 0.00 54.13 53.96 1ke8 s LEU 83 Cb -0.13 -0.97 0.91 0.00 0.02 0.00 0.00 46.19 46.03 1ke8 s LEU 83 CO 0.02 0.18 1.70 1.41 0.02 0.00 0.00 176.35 179.69 1ke8 n HIS 84 N 2.13 0.22 -3.62 0.29 8.25 -1.26 -4.89 115.22 116.33 1ke8 n HIS 84 Ca -0.16 0.07 -0.15 0.00 -0.26 0.00 0.00 57.72 57.22 1ke8 n HIS 84 Cb 0.53 -0.62 -0.07 0.00 1.12 0.00 0.00 29.99 30.95 1ke8 n HIS 84 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1ke8 s GLN 85 N -3.05 0.85 0.32 -0.41 0.74 -1.24 -5.05 119.66 111.83 1ke8 s GLN 85 Ca 0.10 0.44 0.06 0.00 0.05 0.00 0.00 55.36 56.01 1ke8 s GLN 85 Cb 0.13 0.40 -0.01 0.00 1.10 0.00 0.00 33.01 34.63 1ke8 s GLN 85 CO 0.42 -0.20 0.44 0.16 -0.55 0.00 0.00 175.29 175.55 1ke8 s ASP 86 N -0.57 5.95 0.41 6.67 3.84 -1.26 -0.46 116.67 131.25 1ke8 s ASP 86 Ca -0.07 -0.19 0.11 0.00 -0.00 0.00 0.00 52.55 52.41 1ke8 s ASP 86 Cb -0.03 -1.29 0.87 0.00 -1.38 0.00 0.00 42.92 41.10 1ke8 s ASP 86 CO 0.05 -0.38 1.96 0.25 -0.00 0.00 0.00 175.17 177.05 1ke8 h LEU 87 N 0.97 0.17 -0.47 2.11 5.85 -0.24 -2.57 115.31 121.13 1ke8 h LEU 87 Ca -0.46 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1ke8 h LEU 87 Cb 1.25 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1ke8 h LEU 87 CO 0.54 0.31 0.31 0.50 -0.34 0.00 0.00 178.44 179.76 1ke8 h LYS 88 N 0.18 0.63 -0.12 1.25 1.63 -1.82 -0.29 116.57 118.02 1ke8 h LYS 88 Ca 0.04 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.66 1ke8 h LYS 88 Cb 0.31 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1ke8 h LYS 88 CO 0.02 0.43 -0.50 -0.22 -3.45 0.00 0.00 179.45 175.73 1ke8 h LYS 89 N 0.64 0.32 -0.39 1.90 3.64 -1.86 -2.27 116.57 118.56 1ke8 h LYS 89 Ca 0.17 -0.18 -0.13 0.00 -1.27 0.00 0.00 60.65 59.24 1ke8 h LYS 89 Cb -0.05 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1ke8 h LYS 89 CO -0.04 0.75 -0.29 0.35 -2.27 0.00 0.00 179.45 177.96 1ke8 h PHE 90 N 0.26 0.97 -0.52 1.91 -0.00 -1.08 -1.96 116.94 116.52 1ke8 h PHE 90 Ca 0.01 -0.25 -0.12 0.00 -0.00 0.00 0.00 57.97 57.62 1ke8 h PHE 90 Cb 0.97 -0.22 -0.02 0.00 -0.00 0.00 0.00 35.95 36.68 1ke8 h PHE 90 CO 0.02 1.02 -0.13 0.52 -0.00 0.00 0.00 178.31 179.75 1ke8 h MET 91 N 0.71 1.01 -0.59 1.11 2.86 -0.93 -2.12 114.93 116.98 1ke8 h MET 91 Ca 0.08 -0.39 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1ke8 h MET 91 Cb 0.83 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 1ke8 h MET 91 CO 0.07 1.07 0.36 -0.44 1.06 0.00 0.00 176.91 179.03 1ke8 h ASP 92 N 0.88 0.70 0.70 1.22 3.45 -1.32 -0.64 116.42 121.41 1ke8 h ASP 92 Ca 0.13 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.54 1ke8 h ASP 92 Cb 0.70 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 1ke8 h ASP 92 CO 0.05 0.54 0.00 0.00 -1.57 0.00 0.00 179.24 178.27 1ke8 h ALA 93 N 1.18 1.00 -0.33 3.45 0.00 -1.15 -2.70 119.26 120.72 1ke8 h ALA 93 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ke8 h ALA 93 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ke8 h ALA 93 CO -0.04 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.64 1ke8 n SER 94 N -2.60 2.88 -0.16 0.00 7.64 -0.62 -4.73 113.62 116.03 1ke8 n SER 94 Ca 0.01 -2.00 0.23 0.00 1.01 0.00 0.00 58.87 58.11 1ke8 n SER 94 Cb 0.22 -0.22 0.64 0.00 -1.01 0.00 0.00 64.21 63.84 1ke8 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ke8 h ALA 95 N 1.91 2.53 -0.09 -0.43 0.00 -0.81 0.97 119.26 123.34 1ke8 h ALA 95 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 1ke8 h ALA 95 Cb 0.72 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1ke8 h ALA 95 CO 0.00 -0.76 -0.84 -0.07 0.00 0.00 0.00 179.25 177.57 1ke8 h LEU 96 N 0.15 0.79 0.00 0.00 3.38 -1.84 -3.36 115.31 114.42 1ke8 h LEU 96 Ca 0.40 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1ke8 h LEU 96 Cb 1.33 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1ke8 h LEU 96 CO -0.06 1.34 -0.77 0.35 0.09 0.00 0.00 178.44 179.39 1ke8 n THR 97 N -3.87 0.00 -0.07 0.22 -2.24 -1.00 -5.12 114.28 102.19 1ke8 n THR 97 Ca -0.07 -0.26 0.01 0.00 -2.27 0.00 0.00 64.05 61.45 1ke8 n THR 97 Cb 0.78 0.72 -0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1ke8 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ke8 n GLY 98 N 1.56 -2.41 3.72 3.38 0.00 0.33 -4.86 105.19 106.91 1ke8 n GLY 98 Ca 0.00 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 1ke8 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ke8 s ILE 99 N -2.70 4.85 0.32 -0.61 1.01 -1.26 -4.93 121.20 117.88 1ke8 s ILE 99 Ca 0.00 1.88 -0.29 0.00 0.00 0.00 0.00 60.65 62.25 1ke8 s ILE 99 Cb 0.00 -4.24 -0.12 0.00 0.01 0.00 0.00 42.46 38.11 1ke8 s ILE 99 CO 0.00 0.22 1.33 -2.65 0.00 0.00 0.00 174.94 173.84 1ke8 n PRO 100 N 3.62 2.14 -0.33 2.79 -0.02 -1.26 -4.76 135.00 137.18 1ke8 n PRO 100 Ca 0.03 0.75 0.10 0.00 -2.02 0.00 0.00 63.50 62.36 1ke8 n PRO 100 Cb 0.51 -2.36 0.30 0.00 -0.02 0.00 0.00 33.50 31.93 1ke8 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1ke8 h LEU 101 N 3.03 0.81 -1.36 2.45 5.85 -1.99 -0.60 115.31 123.51 1ke8 h LEU 101 Ca -0.46 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 1ke8 h LEU 101 Cb 1.28 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1ke8 h LEU 101 CO 0.66 0.39 0.14 -0.65 -0.34 0.00 0.00 178.44 178.65 1ke8 h PRO 102 N 0.85 0.58 -0.01 5.25 0.11 -1.99 0.41 132.00 137.19 1ke8 h PRO 102 Ca 0.51 -0.08 -0.23 0.00 0.11 0.00 0.00 66.00 66.31 1ke8 h PRO 102 Cb 0.67 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1ke8 h PRO 102 CO -0.28 0.49 -0.93 1.25 -0.21 0.00 0.00 178.00 178.33 1ke8 h LEU 103 N 0.57 0.60 -0.47 2.35 5.85 -1.52 -1.58 115.31 121.10 1ke8 h LEU 103 Ca 0.14 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1ke8 h LEU 103 Cb 0.14 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1ke8 h LEU 103 CO -0.01 1.26 0.14 0.40 -0.34 0.00 0.00 178.44 179.89 1ke8 h ILE 104 N 0.27 1.23 -0.69 4.05 2.04 -0.72 -0.81 117.51 122.88 1ke8 h ILE 104 Ca -0.08 -0.77 -0.07 0.00 1.00 0.00 0.00 64.86 64.94 1ke8 h ILE 104 Cb 1.56 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 1ke8 h ILE 104 CO 0.17 0.28 0.15 0.50 0.00 0.00 0.00 178.15 179.25 1ke8 h LYS 105 N 0.63 1.11 -0.30 2.37 3.64 -0.91 -1.04 116.57 122.07 1ke8 h LYS 105 Ca 0.15 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1ke8 h LYS 105 Cb 0.28 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 1ke8 h LYS 105 CO -0.00 0.98 0.03 1.03 -2.27 0.00 0.00 179.45 179.22 1ke8 h SER 106 N 1.05 0.49 -0.37 4.20 0.87 -1.04 -1.64 113.55 117.11 1ke8 h SER 106 Ca 0.22 -0.28 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1ke8 h SER 106 Cb 0.38 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1ke8 h SER 106 CO 0.00 0.65 0.14 1.88 -0.53 0.00 0.00 176.83 178.98 1ke8 h TYR 107 N 0.32 0.57 -0.73 2.24 0.05 -0.98 -1.72 116.97 116.71 1ke8 h TYR 107 Ca 0.09 -0.05 -0.04 0.00 0.05 0.00 0.00 58.73 58.78 1ke8 h TYR 107 Cb 0.38 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 1ke8 h TYR 107 CO 0.03 0.52 0.30 1.25 -1.05 0.00 0.00 178.16 179.21 1ke8 h LEU 108 N 0.45 1.00 -0.46 3.88 5.85 -1.15 -0.36 115.31 124.51 1ke8 h LEU 108 Ca 0.12 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1ke8 h LEU 108 Cb 0.20 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1ke8 h LEU 108 CO -0.01 0.89 0.27 0.15 -0.34 0.00 0.00 178.44 179.41 1ke8 h PHE 109 N 1.05 0.61 -0.47 1.25 3.04 -1.13 -1.06 116.94 120.23 1ke8 h PHE 109 Ca 0.25 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 62.09 1ke8 h PHE 109 Cb 0.20 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1ke8 h PHE 109 CO 0.02 0.44 -0.12 1.96 -2.02 0.00 0.00 178.31 178.58 1ke8 h GLN 110 N 0.61 0.90 -0.93 1.11 4.20 -1.04 -2.18 115.11 117.78 1ke8 h GLN 110 Ca 0.16 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1ke8 h GLN 110 Cb 0.01 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1ke8 h GLN 110 CO -0.03 1.00 0.54 -0.07 -0.67 0.00 0.00 178.83 179.60 1ke8 h LEU 111 N 0.75 1.14 -1.07 1.46 3.38 -0.81 -1.20 115.31 118.96 1ke8 h LEU 111 Ca 0.12 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1ke8 h LEU 111 Cb 0.67 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1ke8 h LEU 111 CO 0.05 0.89 -0.27 -0.07 0.09 0.00 0.00 178.44 179.12 1ke8 h LEU 112 N 1.29 0.32 -0.42 1.67 3.38 -1.05 -0.67 115.31 119.83 1ke8 h LEU 112 Ca 0.33 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1ke8 h LEU 112 Cb -0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1ke8 h LEU 112 CO -0.06 0.60 0.02 1.56 0.09 0.00 0.00 178.44 180.65 1ke8 h GLN 113 N 0.29 0.73 -0.41 1.13 4.20 -0.71 0.19 115.11 120.53 1ke8 h GLN 113 Ca 0.04 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 1ke8 h GLN 113 Cb 0.64 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 1ke8 h GLN 113 CO 0.05 0.79 0.22 0.78 -0.67 0.00 0.00 178.83 180.00 1ke8 h GLY 114 N 0.57 0.61 1.04 3.46 0.00 -0.83 -1.93 103.07 105.99 1ke8 h GLY 114 Ca 0.12 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 1ke8 h GLY 114 CO 0.02 0.27 -0.06 1.41 0.00 0.00 0.00 176.54 178.17 1ke8 h LEU 115 N 0.52 0.91 -1.14 3.11 3.38 -1.00 -1.23 115.31 119.88 1ke8 h LEU 115 Ca 0.14 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1ke8 h LEU 115 Cb 0.06 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 1ke8 h LEU 115 CO -0.02 1.03 0.59 0.00 0.09 0.00 0.00 178.44 180.13 1ke8 h ALA 116 N 0.91 1.45 -0.20 1.53 0.00 -0.82 0.45 119.26 122.59 1ke8 h ALA 116 Ca 0.13 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1ke8 h ALA 116 Cb 0.60 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ke8 h ALA 116 CO 0.04 0.46 -0.09 0.35 0.00 0.00 0.00 179.25 180.00 1ke8 h PHE 117 N 1.11 0.48 -0.16 0.00 3.04 -1.06 -2.22 116.94 118.12 1ke8 h PHE 117 Ca 0.36 -0.12 -0.02 0.00 3.98 0.00 0.00 57.97 62.18 1ke8 h PHE 117 Cb 0.05 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.44 1ke8 h PHE 117 CO -0.00 0.70 0.02 0.00 -2.02 0.00 0.00 178.31 177.01 1ke8 h HIS 119 N 0.04 0.26 0.00 0.00 3.86 -0.15 -0.49 115.15 118.67 1ke8 h HIS 119 Ca 0.05 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1ke8 h HIS 119 Cb 0.32 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 1ke8 h HIS 119 CO 0.02 0.25 -0.06 0.66 0.86 0.00 0.00 177.93 179.66 1ke8 h SER 120 N 0.26 0.00 -0.58 2.45 4.64 -1.30 -1.42 113.55 117.61 1ke8 h SER 120 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1ke8 h SER 120 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1ke8 h SER 120 CO -0.00 0.06 0.00 1.41 -0.87 0.00 0.00 176.83 177.43 1ke8 n HIS 121 N -3.19 0.77 -1.58 4.77 -0.00 -0.29 -4.93 115.22 110.76 1ke8 n HIS 121 Ca 0.00 -0.39 -0.13 0.00 -0.00 0.00 0.00 57.72 57.20 1ke8 n HIS 121 Cb 0.32 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.27 1ke8 n HIS 121 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1ke8 n ARG 122 N 1.38 -0.96 -4.03 -0.41 1.74 -0.54 -5.00 116.66 108.84 1ke8 n ARG 122 Ca 0.21 0.90 -0.35 0.00 -0.77 0.00 0.00 57.85 57.85 1ke8 n ARG 122 Cb 0.55 -5.01 -0.11 0.00 -1.02 0.00 0.00 32.46 26.88 1ke8 n ARG 122 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ke8 s VAL 123 N -2.54 4.55 0.18 1.55 1.01 -0.61 -4.99 120.40 119.56 1ke8 s VAL 123 Ca 0.00 -0.11 0.08 0.00 0.00 0.00 0.00 61.98 61.95 1ke8 s VAL 123 Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1ke8 s VAL 123 CO 0.00 0.44 -0.04 -0.76 0.00 0.00 0.00 175.10 174.75 1ke8 s LEU 124 N 0.59 3.18 -0.16 3.92 1.43 -1.26 -3.48 118.68 122.90 1ke8 s LEU 124 Ca 0.02 -0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.43 1ke8 s LEU 124 Cb -0.13 -1.84 -0.18 0.00 0.03 0.00 0.00 46.19 44.07 1ke8 s LEU 124 CO 0.02 0.09 0.39 -0.74 0.23 0.00 0.00 176.35 176.33 1ke8 h HIS 125 N 2.73 0.00 0.00 0.29 -0.00 -1.94 -2.68 115.15 113.55 1ke8 h HIS 125 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1ke8 h HIS 125 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 1ke8 h HIS 125 CO 0.64 0.99 0.00 0.54 -0.00 0.00 0.00 177.93 180.10 1ke8 n ARG 126 N -4.56 0.00 -2.61 5.26 1.74 -1.26 -4.33 116.66 110.89 1ke8 n ARG 126 Ca -0.17 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.79 1ke8 n ARG 126 Cb 0.49 -0.83 0.03 0.00 -1.02 0.00 0.00 32.46 31.12 1ke8 n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ke8 n ASP 127 N 0.30 2.39 -4.76 0.55 2.03 -1.26 -5.01 116.55 110.80 1ke8 n ASP 127 Ca 0.00 -2.84 -0.41 0.00 0.52 0.00 0.00 54.79 52.06 1ke8 n ASP 127 Cb 0.00 -0.49 -0.02 0.00 -0.72 0.00 0.00 41.12 39.89 1ke8 n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ke8 s LEU 128 N -3.40 4.41 -0.03 -2.67 1.43 -1.26 -4.93 118.68 112.24 1ke8 s LEU 128 Ca 0.33 2.65 -0.29 0.00 -1.03 0.00 0.00 54.13 55.79 1ke8 s LEU 128 Cb 0.41 -3.64 0.11 0.00 0.03 0.00 0.00 46.19 43.10 1ke8 s LEU 128 CO -0.02 -0.60 0.91 -1.59 0.23 0.00 0.00 176.35 175.28 1ke8 s LYS 129 N -1.08 0.78 0.38 1.70 -2.85 -1.26 -4.79 119.74 112.62 1ke8 s LYS 129 Ca 0.54 -0.24 0.18 0.00 -1.00 0.00 0.00 55.97 55.45 1ke8 s LYS 129 Cb -0.40 0.36 1.12 0.00 -2.06 0.00 0.00 37.83 36.85 1ke8 s LYS 129 CO 0.48 -0.33 1.71 -1.35 0.10 0.00 0.00 175.35 175.96 1ke8 h PRO 130 N 2.07 0.35 0.00 1.78 0.11 -1.95 0.43 132.00 134.80 1ke8 h PRO 130 Ca -0.21 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 1ke8 h PRO 130 Cb 1.23 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ke8 h PRO 130 CO 0.31 0.23 -0.04 1.96 -0.21 0.00 0.00 178.00 180.25 1ke8 h GLN 131 N 0.36 0.00 -0.20 1.05 7.50 -1.95 -2.27 115.11 119.59 1ke8 h GLN 131 Ca 0.68 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.83 1ke8 h GLN 131 Cb 1.69 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.22 1ke8 h GLN 131 CO -0.43 0.04 0.00 0.09 -1.50 0.00 0.00 178.83 177.03 1ke8 n ASN 132 N -3.35 2.59 -4.35 1.46 5.03 0.14 -4.82 115.26 111.97 1ke8 n ASN 132 Ca -0.02 -1.85 -0.37 0.00 0.87 0.00 0.00 54.58 53.21 1ke8 n ASN 132 Cb 0.17 -0.12 -0.13 0.00 -1.02 0.00 0.00 39.78 38.68 1ke8 n ASN 132 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ke8 s LEU 133 N -1.68 3.61 0.01 3.41 1.43 -0.86 -0.97 118.68 123.62 1ke8 s LEU 133 Ca 0.35 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1ke8 s LEU 133 Cb 0.20 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 1ke8 s LEU 133 CO 0.30 -0.14 0.04 -0.76 0.23 0.00 0.00 176.35 176.02 1ke8 s LEU 134 N 1.51 3.68 0.18 1.79 1.43 -0.29 0.09 118.68 127.07 1ke8 s LEU 134 Ca 0.04 0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 1ke8 s LEU 134 Cb -0.16 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1ke8 s LEU 134 CO 0.02 0.27 -0.14 0.27 0.23 0.00 0.00 176.35 176.99 1ke8 s ILE 135 N -1.16 1.60 0.44 -0.59 -4.36 0.39 0.27 121.20 117.79 1ke8 s ILE 135 Ca 0.22 -2.08 0.04 0.00 -0.26 0.00 0.00 60.65 58.56 1ke8 s ILE 135 Cb -0.12 -1.91 -0.02 0.00 1.25 0.00 0.00 42.46 41.66 1ke8 s ILE 135 CO 0.13 -0.56 0.13 0.54 0.24 0.00 0.00 174.94 175.42 1ke8 s ASN 136 N -3.08 3.07 0.54 4.36 2.20 -1.09 -3.61 114.94 117.31 1ke8 s ASN 136 Ca 0.19 -1.73 0.32 0.00 -0.94 0.00 0.00 52.86 50.70 1ke8 s ASN 136 Cb -0.01 0.61 1.36 0.00 -2.00 0.00 0.00 41.25 41.20 1ke8 s ASN 136 CO 0.05 -0.98 1.99 0.71 -2.94 0.00 0.00 177.10 175.93 1ke8 h THR 137 N 1.67 0.15 0.00 0.54 1.35 -1.93 -3.12 112.91 111.57 1ke8 h THR 137 Ca -0.35 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1ke8 h THR 137 Cb 1.28 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1ke8 h THR 137 CO 0.57 0.05 0.00 -0.62 -0.25 0.00 0.00 175.52 175.27 1ke8 n GLU 138 N -3.19 0.68 -0.43 4.72 -0.58 -1.26 -4.60 120.64 115.98 1ke8 n GLU 138 Ca 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1ke8 n GLU 138 Cb 0.31 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 1ke8 n GLU 138 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ke8 n GLY 139 N 0.92 0.79 3.95 0.62 0.00 -1.18 -4.84 105.19 105.45 1ke8 n GLY 139 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1ke8 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ke8 s ALA 140 N -2.00 3.75 -0.00 4.61 0.00 -1.26 -4.90 121.76 121.96 1ke8 s ALA 140 Ca 0.00 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.00 1ke8 s ALA 140 Cb 0.00 -2.03 -0.00 0.00 0.00 0.00 0.00 23.12 21.09 1ke8 s ALA 140 CO 0.00 0.06 -0.02 -1.50 0.00 0.00 0.00 175.76 174.30 1ke8 s ILE 141 N -2.22 0.16 0.05 0.00 2.07 -1.26 -2.69 121.20 117.31 1ke8 s ILE 141 Ca 0.39 -0.08 0.04 0.00 -1.41 0.00 0.00 60.65 59.59 1ke8 s ILE 141 Cb -0.10 -0.15 -0.02 0.00 0.13 0.00 0.00 42.46 42.33 1ke8 s ILE 141 CO 0.34 0.05 -0.11 -0.54 -1.91 0.00 0.00 174.94 172.77 1ke8 s LYS 142 N -0.00 0.71 -0.05 3.50 1.02 0.14 -4.67 119.74 120.40 1ke8 s LYS 142 Ca 0.00 -0.77 -0.27 0.00 0.02 0.00 0.00 55.97 54.95 1ke8 s LYS 142 Cb -0.01 -0.64 -0.03 0.00 -0.52 0.00 0.00 37.83 36.63 1ke8 s LYS 142 CO -0.00 0.14 0.87 -0.51 -0.92 0.00 0.00 175.35 174.93 1ke8 s LEU 143 N -1.39 4.32 0.16 3.17 1.43 -0.27 -1.14 118.68 124.96 1ke8 s LEU 143 Ca -0.03 1.43 0.09 0.00 -1.03 0.00 0.00 54.13 54.58 1ke8 s LEU 143 Cb -0.09 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 1ke8 s LEU 143 CO 0.01 -0.24 -0.15 0.00 0.23 0.00 0.00 176.35 176.20 1ke8 s ALA 144 N 1.15 2.78 -1.23 4.21 0.00 -0.14 -1.06 121.76 127.46 1ke8 s ALA 144 Ca 0.45 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1ke8 s ALA 144 Cb -0.19 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1ke8 s ALA 144 CO 0.22 0.51 0.00 -0.25 0.00 0.00 0.00 175.76 176.24 1ke8 n ASP 145 N 0.37 -4.30 -4.74 0.00 8.00 -1.26 -4.87 116.55 109.75 1ke8 n ASP 145 Ca -0.13 0.18 -0.41 0.00 0.71 0.00 0.00 54.79 55.14 1ke8 n ASP 145 Cb 0.54 -3.14 -0.02 0.00 -0.02 0.00 0.00 41.12 38.48 1ke8 n ASP 145 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1ke8 s PHE 146 N -2.53 3.03 0.00 1.24 -0.12 -1.26 -3.16 117.98 115.18 1ke8 s PHE 146 Ca 0.00 1.03 0.00 0.00 -0.05 0.00 0.00 56.93 57.91 1ke8 s PHE 146 Cb 0.00 -3.81 0.00 0.00 -0.63 0.00 0.00 43.02 38.58 1ke8 s PHE 146 CO 0.00 -2.64 0.00 0.41 -0.05 0.00 0.00 175.22 172.94 1ke8 n GLY 147 N 2.22 0.59 0.13 1.99 0.00 -1.01 -4.86 105.19 104.24 1ke8 n GLY 147 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1ke8 n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ke8 h LEU 148 N 0.00 0.00 -0.57 0.99 3.38 -1.82 -3.01 115.31 114.28 1ke8 h LEU 148 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1ke8 h LEU 148 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1ke8 h LEU 148 CO 0.00 0.66 0.29 0.00 0.09 0.00 0.00 178.44 179.48 1ke8 h ALA 149 N 1.34 0.74 0.01 1.53 0.00 -1.81 -2.38 119.26 118.70 1ke8 h ALA 149 Ca -0.01 0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.68 1ke8 h ALA 149 Cb 1.23 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.95 1ke8 h ALA 149 CO 0.09 -0.05 -1.01 -0.09 0.00 0.00 0.00 179.25 178.19 1ke8 h ARG 150 N 0.56 0.56 -0.34 0.00 2.43 -1.87 -1.61 114.38 114.10 1ke8 h ARG 150 Ca 0.26 -0.61 0.08 0.00 -0.81 0.00 0.00 59.98 58.89 1ke8 h ARG 150 Cb 0.17 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1ke8 h ARG 150 CO -0.18 1.23 0.24 0.00 -1.51 0.00 0.00 179.97 179.75 1ke8 h ALA 151 N 0.55 2.20 -3.00 2.80 0.00 -1.36 -3.40 119.26 117.05 1ke8 h ALA 151 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ke8 h ALA 151 Cb 1.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1ke8 h ALA 151 CO 0.19 -0.29 0.00 1.19 0.00 0.00 0.00 179.25 180.34 1ke8 n PHE 152 N -4.46 0.00 0.01 0.00 3.72 -0.92 -4.22 117.46 111.60 1ke8 n PHE 152 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1ke8 n PHE 152 Cb 0.35 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 1ke8 n PHE 152 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ke8 n GLY 153 N 4.72 -1.76 3.61 1.37 0.00 -0.61 -5.05 105.19 107.48 1ke8 n GLY 153 Ca 0.00 0.66 -0.50 0.00 0.00 0.00 0.00 46.02 46.18 1ke8 n GLY 153 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ke8 n VAL 163 N -2.38 0.41 -2.87 1.61 0.31 -1.26 -4.81 118.33 109.34 1ke8 n VAL 163 Ca 0.00 -0.18 -0.40 0.00 -0.01 0.00 0.00 64.34 63.76 1ke8 n VAL 163 Cb 0.00 -1.78 -0.06 0.00 -0.91 0.00 0.00 33.84 31.09 1ke8 n VAL 163 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1ke8 s VAL 164 N 5.34 4.23 -0.11 2.52 0.11 -1.26 -5.04 120.40 126.19 1ke8 s VAL 164 Ca 0.99 1.89 -0.26 0.00 -2.93 0.00 0.00 61.98 61.66 1ke8 s VAL 164 Cb -0.76 -4.23 -0.02 0.00 -1.53 0.00 0.00 36.38 29.84 1ke8 s VAL 164 CO 0.52 0.51 0.87 -0.89 -3.33 0.00 0.00 175.10 172.77 1ke8 s THR 165 N -1.15 4.89 -1.88 5.04 2.01 -1.26 -4.91 115.64 118.38 1ke8 s THR 165 Ca 0.38 1.75 0.17 0.00 0.31 0.00 0.00 61.69 64.30 1ke8 s THR 165 Cb -0.24 -4.18 0.06 0.00 0.01 0.00 0.00 72.50 68.15 1ke8 s THR 165 CO 0.29 0.08 0.97 0.18 -0.69 0.00 0.00 174.62 175.45 1ke8 n LEU 166 N 4.74 2.06 -0.31 4.42 4.77 -1.26 -4.66 117.00 126.76 1ke8 n LEU 166 Ca 0.05 -0.87 0.34 0.00 -0.03 0.00 0.00 56.01 55.49 1ke8 n LEU 166 Cb 0.50 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 42.32 1ke8 n LEU 166 CO 0.49 0.38 1.31 -0.50 -1.33 0.00 0.00 177.39 177.74 1ke8 h TRP 167 N 2.65 0.05 -0.34 -1.77 4.06 -1.83 -1.80 115.95 116.97 1ke8 h TRP 167 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ke8 h TRP 167 Cb 0.66 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.80 1ke8 h TRP 167 CO 0.00 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 175.54 1ke8 n TYR 168 N -4.22 0.46 -2.38 0.49 4.01 -1.26 -4.54 117.16 109.72 1ke8 n TYR 168 Ca 0.25 -0.46 -0.42 0.00 -0.16 0.00 0.00 57.90 57.11 1ke8 n TYR 168 Cb 1.21 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 40.18 1ke8 n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1ke8 s ARG 169 N -1.00 4.43 0.53 -0.72 3.52 -0.68 -3.96 118.95 121.07 1ke8 s ARG 169 Ca 0.24 1.83 -0.20 0.00 -0.13 0.00 0.00 55.73 57.47 1ke8 s ARG 169 Cb 0.13 -3.31 -0.06 0.00 -1.56 0.00 0.00 34.95 30.15 1ke8 s ARG 169 CO 0.17 -0.24 1.16 0.00 -0.81 0.00 0.00 175.30 175.58 1ke8 s ALA 170 N 0.80 2.75 0.27 6.12 0.00 -1.26 -4.91 121.76 125.53 1ke8 s ALA 170 Ca 0.58 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 53.44 1ke8 s ALA 170 Cb -0.31 -3.39 0.51 0.00 0.00 0.00 0.00 23.12 19.93 1ke8 s ALA 170 CO 0.31 -0.83 1.81 -1.35 0.00 0.00 0.00 175.76 175.71 1ke8 h PRO 171 N 1.39 0.84 -0.00 0.00 0.11 -1.95 -2.12 132.00 130.26 1ke8 h PRO 171 Ca -0.50 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 1ke8 h PRO 171 Cb 1.27 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1ke8 h PRO 171 CO 0.57 0.55 -0.18 1.05 -0.21 0.00 0.00 178.00 179.79 1ke8 h GLU 172 N 0.86 0.00 -0.12 1.05 9.09 -1.92 -0.44 114.58 123.10 1ke8 h GLU 172 Ca 0.47 -0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.71 1ke8 h GLU 172 Cb 0.50 -0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.61 1ke8 h GLU 172 CO -0.28 0.18 -0.58 0.82 0.05 0.00 0.00 179.01 179.20 1ke8 h ILE 173 N 0.00 1.34 0.00 -1.06 2.04 -1.64 -0.79 117.51 117.41 1ke8 h ILE 173 Ca -0.00 -1.87 -0.04 0.00 1.00 0.00 0.00 64.86 63.95 1ke8 h ILE 173 Cb 0.31 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1ke8 h ILE 173 CO 0.02 0.57 -0.19 -0.07 0.00 0.00 0.00 178.15 178.48 1ke8 h LEU 174 N 0.23 0.00 -1.14 1.44 3.38 -1.13 -2.46 115.31 115.63 1ke8 h LEU 174 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ke8 h LEU 174 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ke8 h LEU 174 CO 0.12 0.19 0.00 0.18 0.09 0.00 0.00 178.44 179.02 1ke8 n LEU 175 N -3.64 1.70 0.00 1.67 4.77 -0.23 -4.87 117.00 116.39 1ke8 n LEU 175 Ca -0.01 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1ke8 n LEU 175 Cb 0.32 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1ke8 n LEU 175 CO 0.32 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1ke8 n GLY 176 N 1.11 0.79 3.67 -0.72 0.00 -0.93 -0.68 105.19 108.43 1ke8 n GLY 176 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1ke8 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ke8 n LYS 178 N 6.38 0.16 -2.81 0.00 2.85 -1.26 -4.40 118.16 119.08 1ke8 n LYS 178 Ca 0.15 -0.11 -0.32 0.00 -1.05 0.00 0.00 58.31 56.97 1ke8 n LYS 178 Cb 0.44 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.30 1ke8 n LYS 178 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ke8 n TYR 179 N -1.32 3.55 -1.04 5.58 4.02 -1.26 -5.06 117.16 121.63 1ke8 n TYR 179 Ca 0.06 -3.42 -0.30 0.00 -0.01 0.00 0.00 57.90 54.23 1ke8 n TYR 179 Cb 0.34 -0.76 0.14 0.00 -0.02 0.00 0.00 39.34 39.04 1ke8 n TYR 179 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 1ke8 s TYR 180 N -3.82 2.14 0.00 -0.72 1.13 -1.26 -5.06 117.35 109.76 1ke8 s TYR 180 Ca 0.45 1.46 0.00 0.00 -1.41 0.00 0.00 57.07 57.57 1ke8 s TYR 180 Cb 0.25 -3.16 0.00 0.00 -1.10 0.00 0.00 41.96 37.95 1ke8 s TYR 180 CO -0.14 -2.47 0.00 -1.13 -2.51 0.00 0.00 175.55 169.31 1ke8 n SER 181 N -3.96 1.64 0.18 -0.18 3.41 -1.26 -5.00 113.62 108.44 1ke8 n SER 181 Ca 0.08 -0.99 0.18 0.00 -0.26 0.00 0.00 58.87 57.88 1ke8 n SER 181 Cb 0.54 0.00 0.81 0.00 -0.26 0.00 0.00 64.21 65.29 1ke8 n SER 181 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ke8 h THR 182 N 0.99 0.45 -0.03 6.66 1.35 -1.97 -1.92 112.91 118.45 1ke8 h THR 182 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.87 1ke8 h THR 182 Cb 0.00 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 67.21 1ke8 h THR 182 CO 0.00 0.00 0.04 0.00 -0.25 0.00 0.00 175.52 175.31 1ke8 h ALA 183 N 1.71 1.61 0.00 6.62 0.00 -1.94 -2.08 119.26 125.17 1ke8 h ALA 183 Ca 0.11 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ke8 h ALA 183 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1ke8 h ALA 183 CO -0.00 -0.05 -0.33 -0.39 0.00 0.00 0.00 179.25 178.48 1ke8 h VAL 184 N 0.00 1.19 -0.05 0.00 -1.51 -1.75 -2.33 116.25 111.80 1ke8 h VAL 184 Ca 0.02 -1.14 -0.17 0.00 -1.23 0.00 0.00 66.70 64.18 1ke8 h VAL 184 Cb 0.09 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 1ke8 h VAL 184 CO -0.00 0.32 -0.70 0.44 -1.23 0.00 0.00 177.57 176.40 1ke8 h ASP 185 N 0.00 0.31 -0.35 4.19 3.32 -1.58 -2.58 116.42 119.74 1ke8 h ASP 185 Ca -0.00 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.72 1ke8 h ASP 185 Cb 0.60 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1ke8 h ASP 185 CO 0.04 0.91 -0.22 0.40 -1.72 0.00 0.00 179.24 178.66 1ke8 h ILE 186 N 0.18 1.27 -0.08 0.35 1.08 -1.49 -1.71 117.51 117.11 1ke8 h ILE 186 Ca -0.02 -1.35 -0.00 0.00 -0.39 0.00 0.00 64.86 63.10 1ke8 h ILE 186 Cb 1.25 1.18 -0.00 0.00 -3.07 0.00 0.00 36.82 36.18 1ke8 h ILE 186 CO 0.11 0.46 0.04 -0.25 -0.69 0.00 0.00 178.15 177.81 1ke8 h TRP 187 N 0.73 0.12 -0.72 1.37 2.91 -1.32 -1.06 115.95 117.98 1ke8 h TRP 187 Ca 0.10 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.15 1ke8 h TRP 187 Cb 0.75 -0.04 -0.05 0.00 -0.51 0.00 0.00 29.16 29.31 1ke8 h TRP 187 CO 0.04 0.20 0.44 0.77 -1.03 0.00 0.00 178.44 178.86 1ke8 h SER 188 N 0.00 0.70 -0.80 2.65 0.02 -1.38 -1.53 113.55 113.21 1ke8 h SER 188 Ca 0.03 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1ke8 h SER 188 Cb 0.13 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1ke8 h SER 188 CO -0.00 0.47 0.35 0.25 -1.14 0.00 0.00 176.83 176.76 1ke8 h LEU 189 N 0.84 1.08 -0.95 5.07 5.85 -1.09 -1.43 115.31 124.69 1ke8 h LEU 189 Ca 0.30 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1ke8 h LEU 189 Cb 0.08 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 1ke8 h LEU 189 CO -0.14 0.94 0.62 1.23 -0.34 0.00 0.00 178.44 180.76 1ke8 h GLY 190 N 1.15 1.35 1.11 3.75 0.00 -0.37 0.22 103.07 110.28 1ke8 h GLY 190 Ca 0.27 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1ke8 h GLY 190 CO -0.03 0.46 0.11 0.00 0.00 0.00 0.00 176.54 177.08 1ke8 h ILE 192 N 1.02 1.27 -0.10 0.00 2.04 -0.48 -2.12 117.51 119.14 1ke8 h ILE 192 Ca 0.20 -1.39 0.03 0.00 1.00 0.00 0.00 64.86 64.70 1ke8 h ILE 192 Cb 0.43 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1ke8 h ILE 192 CO 0.01 0.47 -0.12 0.15 0.00 0.00 0.00 178.15 178.66 1ke8 h PHE 193 N 0.74 -0.31 -0.93 1.37 -0.00 -0.30 -1.30 116.94 116.21 1ke8 h PHE 193 Ca 0.09 0.02 0.03 0.00 -0.00 0.00 0.00 57.97 58.11 1ke8 h PHE 193 Cb 0.79 0.15 -0.05 0.00 -0.00 0.00 0.00 35.95 36.84 1ke8 h PHE 193 CO 0.05 -0.18 0.60 0.00 -0.00 0.00 0.00 178.31 178.78 1ke8 h ALA 194 N 0.90 1.21 -0.63 2.41 0.00 -1.22 -2.61 119.26 119.33 1ke8 h ALA 194 Ca 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1ke8 h ALA 194 Cb 0.27 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1ke8 h ALA 194 CO -0.20 0.49 0.16 1.49 0.00 0.00 0.00 179.25 181.20 1ke8 h GLU 195 N 1.18 1.00 -0.71 0.00 4.81 -0.74 -1.11 114.58 119.01 1ke8 h GLU 195 Ca 0.36 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1ke8 h GLU 195 Cb -0.03 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1ke8 h GLU 195 CO -0.11 0.90 0.23 0.52 -0.73 0.00 0.00 179.01 179.81 1ke8 h MET 196 N 0.92 1.11 -0.09 1.92 2.86 -1.00 0.50 114.93 121.15 1ke8 h MET 196 Ca 0.20 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1ke8 h MET 196 Cb 0.34 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1ke8 h MET 196 CO 0.00 0.95 0.01 0.28 1.06 0.00 0.00 176.91 179.21 1ke8 h VAL 197 N 1.05 1.23 0.00 -2.22 2.07 -1.24 -3.33 116.25 113.82 1ke8 h VAL 197 Ca 0.23 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1ke8 h VAL 197 Cb 0.30 1.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1ke8 h VAL 197 CO -0.01 0.21 -1.12 0.35 0.02 0.00 0.00 177.57 177.02 1ke8 n THR 198 N -4.85 0.19 -2.05 2.57 -2.24 -0.44 -4.94 114.28 102.52 1ke8 n THR 198 Ca -0.06 -0.29 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 1ke8 n THR 198 Cb 0.18 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.55 1ke8 n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1ke8 n ARG 199 N -2.05 -0.87 -3.72 -0.78 1.74 0.18 -5.01 116.66 106.15 1ke8 n ARG 199 Ca 0.01 0.60 -0.12 0.00 -0.77 0.00 0.00 57.85 57.57 1ke8 n ARG 199 Cb 0.46 -4.69 -0.11 0.00 -1.02 0.00 0.00 32.46 27.10 1ke8 n ARG 199 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1ke8 s ARG 200 N -4.26 0.40 0.28 5.56 3.52 -1.21 -5.05 118.95 118.18 1ke8 s ARG 200 Ca 0.00 0.62 -0.29 0.00 -0.13 0.00 0.00 55.73 55.93 1ke8 s ARG 200 Cb 0.00 0.09 -0.14 0.00 -1.56 0.00 0.00 34.95 33.34 1ke8 s ARG 200 CO 0.00 -0.10 1.16 0.00 -0.81 0.00 0.00 175.30 175.55 1ke8 n ALA 201 N 3.54 0.28 -0.03 6.12 0.00 -1.26 -4.33 120.51 124.82 1ke8 n ALA 201 Ca -0.18 0.40 -0.14 0.00 0.00 0.00 0.00 53.44 53.52 1ke8 n ALA 201 Cb 0.56 -2.12 -0.11 0.00 0.00 0.00 0.00 19.45 17.79 1ke8 n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ke8 h LEU 202 N 2.66 0.06 -6.72 0.00 5.85 -1.92 -3.40 115.31 111.84 1ke8 h LEU 202 Ca -0.42 -0.64 -0.60 0.00 0.84 0.00 0.00 57.88 57.05 1ke8 h LEU 202 Cb 1.32 -0.02 -0.40 0.00 0.37 0.00 0.00 40.66 41.93 1ke8 h LEU 202 CO 0.65 0.69 -0.78 -0.36 -0.34 0.00 0.00 178.44 178.30 1ke8 s PHE 203 N -3.64 2.32 -1.41 1.25 0.40 -1.26 -5.02 117.98 110.62 1ke8 s PHE 203 Ca -0.16 -2.84 -0.12 0.00 -0.60 0.00 0.00 56.93 53.21 1ke8 s PHE 203 Cb 0.01 -1.80 0.08 0.00 0.51 0.00 0.00 43.02 41.81 1ke8 s PHE 203 CO 0.69 -0.69 2.15 -0.35 0.70 0.00 0.00 175.22 177.73 1ke8 n PRO 204 N 2.39 3.15 -2.25 0.24 -0.04 -1.26 -4.34 135.00 132.88 1ke8 n PRO 204 Ca 0.25 -2.89 -0.34 0.00 -0.04 0.00 0.00 63.50 60.49 1ke8 n PRO 204 Cb 0.42 -3.15 -0.01 0.00 -0.04 0.00 0.00 33.50 30.72 1ke8 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ke8 s GLY 205 N 2.39 2.38 -0.01 0.55 0.00 -1.26 -4.96 107.32 106.41 1ke8 s GLY 205 Ca 0.46 0.58 0.07 0.00 0.00 0.00 0.00 44.72 45.82 1ke8 s GLY 205 CO -0.06 0.91 1.16 2.09 0.00 0.00 0.00 173.10 177.20 1ke8 n ASP 206 N -1.51 2.59 -3.54 1.64 5.75 -1.26 -4.65 116.55 115.58 1ke8 n ASP 206 Ca 0.10 -2.03 -0.07 0.00 -0.01 0.00 0.00 54.79 52.77 1ke8 n ASP 206 Cb 0.52 -0.15 -0.02 0.00 -1.03 0.00 0.00 41.12 40.44 1ke8 n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1ke8 s SER 207 N -1.04 -0.32 0.21 -1.12 1.04 -1.26 -5.01 113.70 106.20 1ke8 s SER 207 Ca 0.15 -0.04 -0.10 0.00 0.48 0.00 0.00 55.95 56.45 1ke8 s SER 207 Cb 0.08 0.36 0.26 0.00 0.10 0.00 0.00 66.02 66.82 1ke8 s SER 207 CO 0.10 -0.60 1.77 -0.33 0.98 0.00 0.00 173.24 175.16 1ke8 h GLU 208 N 2.00 0.52 -0.15 4.02 5.08 -1.99 0.15 114.58 124.21 1ke8 h GLU 208 Ca -0.21 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 57.94 1ke8 h GLU 208 Cb 1.23 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1ke8 h GLU 208 CO 0.29 0.34 -0.63 0.97 -1.00 0.00 0.00 179.01 178.98 1ke8 h ILE 209 N 0.53 1.33 -0.45 3.13 6.09 -1.97 -2.10 117.51 124.08 1ke8 h ILE 209 Ca 0.30 -1.93 -0.10 0.00 -1.37 0.00 0.00 64.86 61.77 1ke8 h ILE 209 Cb 0.29 1.90 -0.02 0.00 0.47 0.00 0.00 36.82 39.46 1ke8 h ILE 209 CO -0.24 0.59 -0.10 -0.78 -3.07 0.00 0.00 178.15 174.55 1ke8 h ASP 210 N 0.39 0.80 0.18 2.19 3.58 -1.83 -1.44 116.42 120.29 1ke8 h ASP 210 Ca -0.01 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 1ke8 h ASP 210 Cb 1.20 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1ke8 h ASP 210 CO 0.12 0.93 -0.09 -0.61 -2.88 0.00 0.00 179.24 176.71 1ke8 h GLN 211 N 0.74 -0.23 -0.39 0.28 5.75 -0.57 -0.73 115.11 119.95 1ke8 h GLN 211 Ca 0.12 0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.69 1ke8 h GLN 211 Cb 0.60 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.15 1ke8 h GLN 211 CO 0.04 -0.10 0.13 1.25 -2.65 0.00 0.00 178.83 177.50 1ke8 h LEU 212 N -0.30 0.13 -1.13 -2.39 5.85 -1.23 -2.12 115.31 114.13 1ke8 h LEU 212 Ca -0.02 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 1ke8 h LEU 212 Cb 0.23 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1ke8 h LEU 212 CO 0.04 0.11 -0.13 -0.26 -0.34 0.00 0.00 178.44 177.86 1ke8 h PHE 213 N 0.29 0.49 -0.32 1.25 0.04 -1.13 -0.15 116.94 117.40 1ke8 h PHE 213 Ca 0.18 -0.07 -0.10 0.00 2.80 0.00 0.00 57.97 60.78 1ke8 h PHE 213 Cb 0.16 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1ke8 h PHE 213 CO -0.15 0.58 -0.20 0.00 -0.60 0.00 0.00 178.31 177.93 1ke8 h ARG 214 N 0.42 0.60 -0.03 1.51 3.08 -0.69 0.92 114.38 120.19 1ke8 h ARG 214 Ca 0.08 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1ke8 h ARG 214 Cb 0.49 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1ke8 h ARG 214 CO 0.03 0.77 -0.00 0.82 -1.07 0.00 0.00 179.97 180.52 1ke8 h ILE 215 N 0.54 1.25 -0.57 2.04 2.04 -0.86 -2.97 117.51 118.99 1ke8 h ILE 215 Ca 0.08 -0.76 0.04 0.00 1.00 0.00 0.00 64.86 65.21 1ke8 h ILE 215 Cb 0.65 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 1ke8 h ILE 215 CO 0.05 0.21 0.33 -0.26 0.00 0.00 0.00 178.15 178.47 1ke8 h PHE 216 N -0.24 0.61 0.00 1.37 0.05 -0.75 0.22 116.94 118.20 1ke8 h PHE 216 Ca 0.01 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.81 1ke8 h PHE 216 Cb 0.33 -0.19 -0.00 0.00 2.00 0.00 0.00 35.95 38.09 1ke8 h PHE 216 CO 0.03 0.33 -0.04 0.00 -0.18 0.00 0.00 178.31 178.45 1ke8 h ARG 217 N 0.64 0.00 0.00 1.51 3.08 -0.82 0.65 114.38 119.45 1ke8 h ARG 217 Ca 0.24 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.88 1ke8 h ARG 217 Cb 0.07 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.06 1ke8 h ARG 217 CO -0.13 0.04 -2.28 2.41 -1.07 0.00 0.00 179.97 178.95 1ke8 n THR 218 N -3.38 1.53 1.35 2.04 -1.04 -0.76 -4.54 114.28 109.48 1ke8 n THR 218 Ca -0.02 -0.31 0.13 0.00 -2.04 0.00 0.00 64.05 61.82 1ke8 n THR 218 Cb 0.17 -1.93 0.41 0.00 -1.82 0.00 0.00 70.33 67.16 1ke8 n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ke8 n LEU 219 N -4.29 1.53 0.00 -4.42 4.77 0.71 -0.60 117.00 114.70 1ke8 n LEU 219 Ca -0.49 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 1ke8 n LEU 219 Cb 0.84 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1ke8 n LEU 219 CO 0.06 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1ke8 n GLY 220 N 1.25 -1.24 3.71 -0.72 0.00 0.23 -4.50 105.19 103.92 1ke8 n GLY 220 Ca 0.16 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1ke8 n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ke8 s THR 221 N -2.32 2.92 0.44 2.61 2.01 -0.78 -4.63 115.64 115.89 1ke8 s THR 221 Ca 0.00 0.56 -0.22 0.00 0.31 0.00 0.00 61.69 62.33 1ke8 s THR 221 Cb 0.00 -3.36 -0.08 0.00 0.01 0.00 0.00 72.50 69.07 1ke8 s THR 221 CO 0.00 0.02 1.06 -2.16 -0.69 0.00 0.00 174.62 172.86 1ke8 s PRO 222 N 1.75 3.96 0.22 4.92 0.04 -1.26 -4.88 135.00 139.75 1ke8 s PRO 222 Ca 0.70 1.50 0.03 0.00 0.04 0.00 0.00 61.00 63.27 1ke8 s PRO 222 Cb -0.41 -2.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.76 1ke8 s PRO 222 CO 0.31 -0.31 0.10 -0.40 0.04 0.00 0.00 177.00 176.74 1ke8 n ASP 223 N -0.46 0.75 0.29 6.66 5.68 -1.26 -4.99 116.55 123.23 1ke8 n ASP 223 Ca 0.07 -2.21 0.17 0.00 -0.50 0.00 0.00 54.79 52.32 1ke8 n ASP 223 Cb 0.50 0.66 0.85 0.00 -1.14 0.00 0.00 41.12 41.99 1ke8 n ASP 223 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1ke8 h GLU 224 N 0.00 0.00 0.11 0.11 4.39 -1.98 -0.23 114.58 116.97 1ke8 h GLU 224 Ca -0.17 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1ke8 h GLU 224 Cb 0.67 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1ke8 h GLU 224 CO 0.26 0.04 -0.05 0.28 -1.16 0.00 0.00 179.01 178.38 1ke8 h VAL 225 N 0.00 1.10 0.00 3.13 2.07 -1.99 -3.12 116.25 117.44 1ke8 h VAL 225 Ca -0.00 -1.05 -0.11 0.00 0.82 0.00 0.00 66.70 66.36 1ke8 h VAL 225 Cb 0.31 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1ke8 h VAL 225 CO 0.01 0.24 -0.81 -0.37 0.02 0.00 0.00 177.57 176.66 1ke8 h VAL 226 N -0.65 0.64 -2.37 2.57 -1.51 -1.96 -3.41 116.25 109.56 1ke8 h VAL 226 Ca -0.01 -2.00 -0.57 0.00 -1.23 0.00 0.00 66.70 62.89 1ke8 h VAL 226 Cb 0.51 2.21 -0.38 0.00 -2.13 0.00 0.00 31.29 31.50 1ke8 h VAL 226 CO 0.02 0.36 -0.93 0.86 -1.23 0.00 0.00 177.57 176.66 1ke8 s TRP 227 N -2.99 0.90 0.08 5.19 -0.11 -0.11 -4.39 118.94 117.51 1ke8 s TRP 227 Ca 0.02 -2.10 -0.35 0.00 1.22 0.00 0.00 56.10 54.89 1ke8 s TRP 227 Cb 0.08 -0.87 -0.14 0.00 -1.50 0.00 0.00 33.47 31.04 1ke8 s TRP 227 CO 0.77 -0.84 1.61 -2.30 -4.62 0.00 0.00 176.95 171.56 1ke8 n PRO 228 N 3.14 1.94 -0.06 5.86 -0.02 -1.18 -1.17 135.00 143.52 1ke8 n PRO 228 Ca 0.25 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1ke8 n PRO 228 Cb 0.46 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1ke8 n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ke8 n GLY 229 N 3.51 1.02 0.34 -1.23 0.00 -1.26 -4.94 105.19 102.63 1ke8 n GLY 229 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1ke8 n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1ke8 h VAL 230 N 0.00 0.95 0.00 1.61 3.04 -1.46 -1.00 116.25 119.38 1ke8 h VAL 230 Ca 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1ke8 h VAL 230 Cb 0.00 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 29.71 1ke8 h VAL 230 CO 0.00 0.09 0.00 0.35 -1.01 0.00 0.00 177.57 177.00 1ke8 n THR 231 N -4.47 0.12 0.26 3.17 -2.24 -1.26 -2.63 114.28 107.23 1ke8 n THR 231 Ca 0.09 0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 1ke8 n THR 231 Cb 0.30 -0.62 0.14 0.00 -2.10 0.00 0.00 70.33 68.05 1ke8 n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1ke8 n SER 232 N -1.16 2.87 -4.76 3.42 7.64 -0.38 -4.92 113.62 116.32 1ke8 n SER 232 Ca 0.15 -1.84 -0.38 0.00 1.01 0.00 0.00 58.87 57.81 1ke8 n SER 232 Cb 0.15 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1ke8 n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1ke8 s MET 233 N -1.23 3.66 0.36 1.43 -1.94 -1.08 -4.93 119.30 115.57 1ke8 s MET 233 Ca 0.27 1.99 0.10 0.00 -1.71 0.00 0.00 55.69 56.34 1ke8 s MET 233 Cb 0.16 -2.46 0.87 0.00 2.01 0.00 0.00 34.83 35.41 1ke8 s MET 233 CO 0.23 -0.70 1.83 -1.35 -0.01 0.00 0.00 175.02 175.02 1ke8 h PRO 234 N 2.06 0.62 -0.49 2.03 0.11 -1.81 -2.51 132.00 132.02 1ke8 h PRO 234 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1ke8 h PRO 234 Cb 1.26 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ke8 h PRO 234 CO 0.60 0.41 0.00 -0.25 -0.21 0.00 0.00 178.00 178.55 1ke8 n ASP 235 N -4.61 3.73 -4.75 -2.05 10.43 0.14 -4.97 116.55 114.47 1ke8 n ASP 235 Ca 0.20 -2.26 -0.40 0.00 2.57 0.00 0.00 54.79 54.89 1ke8 n ASP 235 Cb 0.58 -0.41 -0.05 0.00 1.84 0.00 0.00 41.12 43.07 1ke8 n ASP 235 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1ke8 s TYR 236 N -1.48 3.77 -0.07 1.24 5.04 -0.95 -4.96 117.35 119.94 1ke8 s TYR 236 Ca 0.38 1.78 0.02 0.00 -2.44 0.00 0.00 57.07 56.81 1ke8 s TYR 236 Cb 0.23 -3.14 0.01 0.00 0.35 0.00 0.00 41.96 39.42 1ke8 s TYR 236 CO 0.20 -0.07 -0.13 0.15 -1.34 0.00 0.00 175.55 174.37 1ke8 s LYS 237 N -0.95 1.78 0.64 4.97 -0.14 -1.26 -4.94 119.74 119.84 1ke8 s LYS 237 Ca 0.44 -0.43 0.37 0.00 -1.36 0.00 0.00 55.97 55.00 1ke8 s LYS 237 Cb -0.28 -1.50 2.09 0.00 -1.68 0.00 0.00 37.83 36.46 1ke8 s LYS 237 CO 0.35 -0.00 2.25 -1.35 -0.76 0.00 0.00 175.35 175.83 1ke8 h PRO 238 N 7.11 0.00 0.00 -1.68 0.11 -1.96 -1.05 132.00 134.54 1ke8 h PRO 238 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1ke8 h PRO 238 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1ke8 h PRO 238 CO 0.47 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 1ke8 n SER 239 N -3.31 0.00 -4.75 -2.05 3.41 -1.26 -4.86 113.62 100.80 1ke8 n SER 239 Ca -0.02 -0.97 -0.41 0.00 -0.26 0.00 0.00 58.87 57.21 1ke8 n SER 239 Cb 0.16 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.09 1ke8 n SER 239 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ke8 s PHE 240 N -2.00 2.74 0.63 7.33 0.08 -0.40 -4.95 117.98 121.42 1ke8 s PHE 240 Ca 0.34 0.82 -0.17 0.00 0.12 0.00 0.00 56.93 58.04 1ke8 s PHE 240 Cb 0.15 -4.06 -0.01 0.00 -0.57 0.00 0.00 43.02 38.53 1ke8 s PHE 240 CO 0.26 -3.52 1.17 -2.14 -0.10 0.00 0.00 175.22 170.89 1ke8 s PRO 241 N -0.65 2.81 -0.34 0.24 0.02 -1.26 -4.99 135.00 130.82 1ke8 s PRO 241 Ca 0.62 1.67 -0.09 0.00 0.02 0.00 0.00 61.00 63.22 1ke8 s PRO 241 Cb -0.48 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.14 1ke8 s PRO 241 CO 0.49 -1.30 0.16 0.15 -0.33 0.00 0.00 177.00 176.17 1ke8 s LYS 242 N -3.63 2.89 0.11 5.54 1.02 -1.26 -4.81 119.74 119.59 1ke8 s LYS 242 Ca 0.73 -1.02 0.06 0.00 0.02 0.00 0.00 55.97 55.76 1ke8 s LYS 242 Cb -0.27 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.42 1ke8 s LYS 242 CO 0.37 -0.61 -0.01 -1.58 -0.92 0.00 0.00 175.35 172.59 1ke8 s TRP 243 N 1.52 2.93 0.41 3.18 0.51 -1.26 -4.96 118.94 121.27 1ke8 s TRP 243 Ca 0.02 -0.06 -0.13 0.00 -2.12 0.00 0.00 56.10 53.81 1ke8 s TRP 243 Cb -0.19 -1.50 -0.07 0.00 -0.81 0.00 0.00 33.47 30.91 1ke8 s TRP 243 CO 0.05 0.48 0.81 0.00 -0.51 0.00 0.00 176.95 177.77 1ke8 s ALA 244 N -1.36 3.29 0.21 0.98 0.00 -1.26 -1.86 121.76 121.75 1ke8 s ALA 244 Ca 0.25 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 1ke8 s ALA 244 Cb -0.11 -2.80 -0.09 0.00 0.00 0.00 0.00 23.12 20.12 1ke8 s ALA 244 CO 0.18 0.02 1.26 0.50 0.00 0.00 0.00 175.76 177.72 1ke8 s ARG 245 N -3.72 4.43 0.20 0.00 3.52 -1.26 -4.08 118.95 118.05 1ke8 s ARG 245 Ca 0.53 2.00 -0.06 0.00 -0.13 0.00 0.00 55.73 58.07 1ke8 s ARG 245 Cb -0.10 -3.20 -0.06 0.00 -1.56 0.00 0.00 34.95 30.03 1ke8 s ARG 245 CO 0.28 -0.17 0.47 -0.65 -0.81 0.00 0.00 175.30 174.42 1ke8 s GLN 246 N -0.36 3.67 0.15 5.12 -0.21 0.23 -4.90 119.66 123.36 1ke8 s GLN 246 Ca 0.54 0.02 -0.30 0.00 0.02 0.00 0.00 55.36 55.64 1ke8 s GLN 246 Cb -0.35 -2.74 -0.07 0.00 1.00 0.00 0.00 33.01 30.84 1ke8 s GLN 246 CO 0.39 0.36 1.14 0.34 -2.12 0.00 0.00 175.29 175.41 1ke8 s ASP 247 N -2.62 7.18 0.47 5.90 2.15 -1.26 -4.85 116.67 123.64 1ke8 s ASP 247 Ca 0.43 2.10 0.15 0.00 0.43 0.00 0.00 52.55 55.67 1ke8 s ASP 247 Cb -0.11 -2.60 1.13 0.00 -0.30 0.00 0.00 42.92 41.03 1ke8 s ASP 247 CO 0.25 -0.31 2.05 -0.26 -0.17 0.00 0.00 175.17 176.72 1ke8 h PHE 248 N 5.53 0.25 0.00 -5.34 0.05 -1.97 -1.45 116.94 114.01 1ke8 h PHE 248 Ca -0.44 0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.36 1ke8 h PHE 248 Cb 1.21 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 39.08 1ke8 h PHE 248 CO 0.63 0.14 0.00 0.66 -0.18 0.00 0.00 178.31 179.56 1ke8 h SER 249 N 0.25 0.00 0.46 2.17 4.64 -1.92 -0.97 113.55 118.18 1ke8 h SER 249 Ca 0.17 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.19 1ke8 h SER 249 Cb 0.35 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.39 1ke8 h SER 249 CO -0.03 0.00 -1.75 1.17 -0.87 0.00 0.00 176.83 175.35 1ke8 n LYS 250 N -3.07 0.64 -0.02 4.77 4.81 -0.56 -3.46 118.16 121.28 1ke8 n LYS 250 Ca -0.02 0.29 -0.16 0.00 -0.87 0.00 0.00 58.31 57.55 1ke8 n LYS 250 Cb 0.11 -1.78 -0.11 0.00 0.02 0.00 0.00 35.03 33.27 1ke8 n LYS 250 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ke8 h VAL 251 N 0.00 1.47 -1.91 3.15 2.07 -1.09 -3.38 116.25 116.57 1ke8 h VAL 251 Ca -0.30 -1.90 -0.53 0.00 0.82 0.00 0.00 66.70 64.80 1ke8 h VAL 251 Cb 2.02 2.57 -0.41 0.00 -1.52 0.00 0.00 31.29 33.95 1ke8 h VAL 251 CO 0.08 0.54 -0.90 1.33 0.02 0.00 0.00 177.57 178.63 1ke8 n VAL 252 N -4.41 1.67 -0.01 2.57 0.24 -0.80 -5.00 118.33 112.60 1ke8 n VAL 252 Ca -0.09 -4.84 -0.00 0.00 -2.04 0.00 0.00 64.34 57.37 1ke8 n VAL 252 Cb 0.54 -0.75 -0.00 0.00 -1.47 0.00 0.00 33.84 32.16 1ke8 n VAL 252 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1ke8 n PRO 253 N -0.10 -0.01 0.27 7.34 -0.02 -1.22 -1.70 135.00 139.56 1ke8 n PRO 253 Ca 0.28 0.05 0.12 0.00 -2.02 0.00 0.00 63.50 61.92 1ke8 n PRO 253 Cb 0.57 -0.07 0.75 0.00 -0.02 0.00 0.00 33.50 34.73 1ke8 n PRO 253 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1ke8 h PRO 254 N 0.00 0.00 -6.51 0.52 0.13 -1.92 -3.45 132.00 120.77 1ke8 h PRO 254 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 1ke8 h PRO 254 Cb 0.01 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.19 1ke8 h PRO 254 CO -0.01 0.09 0.88 -0.11 -0.23 0.00 0.00 178.00 178.62 1ke8 n LEU 255 N -3.88 3.35 -4.66 1.56 7.94 -0.69 -4.99 117.00 115.64 1ke8 n LEU 255 Ca -0.02 1.06 -0.29 0.00 -1.11 0.00 0.00 56.01 55.65 1ke8 n LEU 255 Cb 0.18 -1.46 0.20 0.00 0.53 0.00 0.00 43.42 42.87 1ke8 n LEU 255 CO 0.30 -0.15 0.65 1.51 -1.11 0.00 0.00 177.39 178.59 1ke8 s ASP 256 N 1.35 2.00 0.37 1.96 3.84 -1.26 -4.68 116.67 120.25 1ke8 s ASP 256 Ca 0.79 0.90 0.05 0.00 -0.00 0.00 0.00 52.55 54.30 1ke8 s ASP 256 Cb -0.64 -1.38 0.75 0.00 -1.38 0.00 0.00 42.92 40.28 1ke8 s ASP 256 CO 0.38 -3.49 1.99 -0.08 -0.00 0.00 0.00 175.17 173.98 1ke8 h GLU 257 N -2.14 0.71 -0.23 2.11 4.57 -1.98 -0.85 114.58 116.76 1ke8 h GLU 257 Ca -0.50 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 1ke8 h GLU 257 Cb 1.32 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1ke8 h GLU 257 CO 0.48 0.47 0.10 -0.44 -1.18 0.00 0.00 179.01 178.44 1ke8 h ASP 258 N 0.73 0.31 -0.43 1.04 3.32 -1.98 -0.08 116.42 119.33 1ke8 h ASP 258 Ca 0.26 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1ke8 h ASP 258 Cb 0.11 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1ke8 h ASP 258 CO -0.07 0.38 0.14 1.23 -1.72 0.00 0.00 179.24 179.20 1ke8 h GLY 259 N 0.22 0.72 1.74 2.75 0.00 -1.73 -1.53 103.07 105.24 1ke8 h GLY 259 Ca 0.08 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 1ke8 h GLY 259 CO -0.01 0.40 -0.30 3.21 0.00 0.00 0.00 176.54 179.84 1ke8 h ARG 260 N 0.56 0.31 -0.19 4.80 3.08 -1.11 -0.08 114.38 121.74 1ke8 h ARG 260 Ca 0.14 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1ke8 h ARG 260 Cb 0.26 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1ke8 h ARG 260 CO -0.01 0.58 0.04 1.03 -1.07 0.00 0.00 179.97 180.55 1ke8 h SER 261 N 0.27 0.30 -0.23 7.04 0.87 -0.76 -1.24 113.55 119.79 1ke8 h SER 261 Ca 0.04 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 1ke8 h SER 261 Cb 0.68 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 1ke8 h SER 261 CO 0.05 0.47 0.10 0.25 -0.53 0.00 0.00 176.83 177.16 1ke8 h LEU 262 N 0.11 0.31 -0.88 2.23 5.85 -1.00 -2.84 115.31 119.10 1ke8 h LEU 262 Ca 0.06 -0.15 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1ke8 h LEU 262 Cb 0.29 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1ke8 h LEU 262 CO 0.00 0.38 0.55 0.25 -0.34 0.00 0.00 178.44 179.28 1ke8 h LEU 263 N 0.22 0.86 -1.34 2.25 5.85 -0.93 -1.98 115.31 120.25 1ke8 h LEU 263 Ca 0.08 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1ke8 h LEU 263 Cb 0.16 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1ke8 h LEU 263 CO -0.01 0.55 0.03 0.77 -0.34 0.00 0.00 178.44 179.44 1ke8 h SER 264 N 1.00 0.44 1.60 1.25 4.64 -1.02 -1.36 113.55 120.09 1ke8 h SER 264 Ca 0.38 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1ke8 h SER 264 Cb 0.17 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ke8 h SER 264 CO -0.17 0.48 -0.02 1.56 -0.87 0.00 0.00 176.83 177.81 1ke8 h GLN 265 N 0.46 0.00 0.00 4.77 4.20 -1.15 -2.90 115.11 120.50 1ke8 h GLN 265 Ca 0.10 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 1ke8 h GLN 265 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1ke8 h GLN 265 CO 0.00 0.02 -0.73 0.52 -0.67 0.00 0.00 178.83 177.98 1ke8 h MET 266 N 0.00 0.00 -0.47 1.46 2.86 -0.74 -1.22 114.93 116.82 1ke8 h MET 266 Ca -0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1ke8 h MET 266 Cb 0.83 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.44 1ke8 h MET 266 CO 0.00 0.28 0.06 1.28 1.06 0.00 0.00 176.91 179.59 1ke8 n LEU 267 N -3.03 4.94 -4.76 1.22 4.77 -0.61 -4.01 117.00 115.52 1ke8 n LEU 267 Ca -0.01 -3.12 -0.41 0.00 -0.03 0.00 0.00 56.01 52.44 1ke8 n LEU 267 Cb 0.70 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1ke8 n LEU 267 CO 0.40 0.75 1.01 -1.00 -1.33 0.00 0.00 177.39 177.22 1ke8 s HIS 268 N -2.90 3.04 0.09 -1.77 3.76 -1.12 -4.93 115.29 111.46 1ke8 s HIS 268 Ca 0.49 1.31 -0.24 0.00 -0.15 0.00 0.00 55.06 56.47 1ke8 s HIS 268 Cb 0.39 -3.71 -0.15 0.00 1.11 0.00 0.00 32.58 30.21 1ke8 s HIS 268 CO 0.11 -2.06 1.72 1.88 -0.85 0.00 0.00 174.74 175.54 1ke8 h TYR 269 N 3.88 -0.07 -2.66 1.40 0.99 -1.92 -3.41 116.97 115.18 1ke8 h TYR 269 Ca -0.48 -0.00 -0.57 0.00 2.00 0.00 0.00 58.73 59.68 1ke8 h TYR 269 Cb 1.22 0.02 -0.02 0.00 1.00 0.00 0.00 36.73 38.95 1ke8 h TYR 269 CO 0.57 -0.04 1.22 0.34 -0.00 0.00 0.00 178.16 180.25 1ke8 s ASP 270 N -5.13 6.13 0.43 3.88 -1.08 -1.26 -4.85 116.67 114.79 1ke8 s ASP 270 Ca -0.13 1.58 0.20 0.00 -0.52 0.00 0.00 52.55 53.67 1ke8 s ASP 270 Cb 0.06 -2.53 1.14 0.00 -1.46 0.00 0.00 42.92 40.13 1ke8 s ASP 270 CO 0.66 -1.47 1.83 -0.65 0.52 0.00 0.00 175.17 176.06 1ke8 h PRO 271 N 11.83 0.35 0.00 4.34 0.11 -1.96 0.23 132.00 146.89 1ke8 h PRO 271 Ca -0.35 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 1ke8 h PRO 271 Cb 1.17 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ke8 h PRO 271 CO 1.01 0.23 -0.14 -0.91 -0.21 0.00 0.00 178.00 177.98 1ke8 h ASN 272 N 0.36 0.00 0.34 -2.05 4.21 -1.95 -3.09 115.58 113.40 1ke8 h ASN 272 Ca 0.51 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.02 1ke8 h ASN 272 Cb 1.36 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.56 1ke8 h ASN 272 CO -0.19 0.14 -1.38 0.29 -1.29 0.00 0.00 177.43 175.00 1ke8 n LYS 273 N -3.25 0.46 -1.85 0.81 5.02 0.01 -4.93 118.16 114.43 1ke8 n LYS 273 Ca 0.01 -0.05 -0.41 0.00 -2.02 0.00 0.00 58.31 55.83 1ke8 n LYS 273 Cb 0.41 -1.60 -0.01 0.00 -0.02 0.00 0.00 35.03 33.81 1ke8 n LYS 273 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1ke8 s ARG 274 N -3.33 4.16 0.49 1.97 3.52 -0.82 -4.94 118.95 120.00 1ke8 s ARG 274 Ca -0.01 2.50 -0.23 0.00 -0.13 0.00 0.00 55.73 57.86 1ke8 s ARG 274 Cb 0.13 -3.03 -0.06 0.00 -1.56 0.00 0.00 34.95 30.43 1ke8 s ARG 274 CO 0.85 -0.54 1.28 -1.50 -0.81 0.00 0.00 175.30 174.57 1ke8 s ILE 275 N -0.34 2.56 0.57 4.11 2.07 -0.46 -5.03 121.20 124.68 1ke8 s ILE 275 Ca 0.59 0.43 -0.06 0.00 -1.41 0.00 0.00 60.65 60.20 1ke8 s ILE 275 Cb -0.46 -3.23 -0.01 0.00 0.13 0.00 0.00 42.46 38.90 1ke8 s ILE 275 CO 0.51 0.01 0.88 -0.94 -1.91 0.00 0.00 174.94 173.49 1ke8 s SER 276 N -1.07 5.80 0.31 4.50 1.04 -1.26 -4.90 113.70 118.12 1ke8 s SER 276 Ca 0.66 0.82 0.01 0.00 0.48 0.00 0.00 55.95 57.92 1ke8 s SER 276 Cb -0.36 -1.90 0.50 0.00 0.10 0.00 0.00 66.02 64.37 1ke8 s SER 276 CO 0.43 -0.93 1.86 0.00 0.98 0.00 0.00 173.24 175.58 1ke8 h ALA 277 N -0.09 1.30 0.07 5.32 0.00 -1.94 -1.39 119.26 122.54 1ke8 h ALA 277 Ca -0.46 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 1ke8 h ALA 277 Cb 1.24 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ke8 h ALA 277 CO 0.61 0.49 -0.03 -0.22 0.00 0.00 0.00 179.25 180.10 1ke8 h LYS 278 N 0.68 -0.09 -0.08 0.00 1.63 -1.93 -2.50 116.57 114.28 1ke8 h LYS 278 Ca 0.15 0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 59.85 1ke8 h LYS 278 Cb 0.28 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1ke8 h LYS 278 CO -0.00 0.03 -0.46 0.00 -3.45 0.00 0.00 179.45 175.57 1ke8 h ALA 279 N 0.73 1.09 -0.00 5.00 0.00 -1.92 -2.97 119.26 121.18 1ke8 h ALA 279 Ca -0.01 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1ke8 h ALA 279 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ke8 h ALA 279 CO 0.02 0.61 -0.29 0.00 0.00 0.00 0.00 179.25 179.59 1ke8 h ALA 280 N 1.38 1.51 0.00 0.00 0.00 -1.09 -2.52 119.26 118.54 1ke8 h ALA 280 Ca 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1ke8 h ALA 280 Cb 0.87 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1ke8 h ALA 280 CO 0.07 0.37 -0.07 -0.07 0.00 0.00 0.00 179.25 179.55 1ke8 h LEU 281 N 0.01 0.00 -1.79 0.00 3.38 -1.28 -1.99 115.31 113.64 1ke8 h LEU 281 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ke8 h LEU 281 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ke8 h LEU 281 CO 0.04 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.64 1ke8 n ALA 282 N -2.19 2.48 -1.76 1.53 0.00 -0.95 -4.88 120.51 114.73 1ke8 n ALA 282 Ca -0.01 -0.69 -0.39 0.00 0.00 0.00 0.00 53.44 52.35 1ke8 n ALA 282 Cb 0.23 -0.90 0.02 0.00 0.00 0.00 0.00 19.45 18.79 1ke8 n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ke8 s HIS 283 N -1.89 2.56 0.61 0.00 5.04 -0.75 -4.88 115.29 115.97 1ke8 s HIS 283 Ca 0.32 1.40 0.29 0.00 -1.54 0.00 0.00 55.06 55.53 1ke8 s HIS 283 Cb 0.21 -3.70 1.55 0.00 0.04 0.00 0.00 32.58 30.67 1ke8 s HIS 283 CO 0.31 -2.43 1.94 -1.35 -2.34 0.00 0.00 174.74 170.87 1ke8 h PRO 284 N 2.02 0.00 -0.21 2.88 0.11 -1.93 -1.97 132.00 132.90 1ke8 h PRO 284 Ca -0.50 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.67 1ke8 h PRO 284 Cb 1.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1ke8 h PRO 284 CO 0.60 0.00 0.16 0.35 -0.21 0.00 0.00 178.00 178.90 1ke8 h PHE 285 N 0.00 0.00 -0.65 0.65 3.04 -1.90 -1.89 116.94 116.20 1ke8 h PHE 285 Ca 0.14 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1ke8 h PHE 285 Cb 0.92 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.43 1ke8 h PHE 285 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 178.31 177.48 1ke8 n PHE 286 N -4.39 0.98 -0.06 0.41 3.72 -0.74 -4.44 117.46 112.94 1ke8 n PHE 286 Ca 0.02 -0.46 0.04 0.00 -0.05 0.00 0.00 57.45 57.00 1ke8 n PHE 286 Cb 0.30 -0.04 0.39 0.00 -0.94 0.00 0.00 39.48 39.19 1ke8 n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1ke8 h GLN 287 N 3.84 0.62 -0.45 -1.08 4.15 -1.48 -2.76 115.11 117.96 1ke8 h GLN 287 Ca 0.00 -0.04 -0.22 0.00 0.77 0.00 0.00 58.65 59.17 1ke8 h GLN 287 Cb 0.97 -0.14 -0.13 0.00 0.21 0.00 0.00 27.48 28.39 1ke8 h GLN 287 CO 0.04 0.41 0.04 -0.40 -1.93 0.00 0.00 178.83 176.99 1ke8 n ASP 288 N -4.47 2.82 -4.77 -0.69 5.75 -1.26 -5.04 116.55 108.89 1ke8 n ASP 288 Ca 0.05 -3.68 -0.40 0.00 -0.01 0.00 0.00 54.79 50.75 1ke8 n ASP 288 Cb 0.09 -0.66 -0.02 0.00 -1.03 0.00 0.00 41.12 39.50 1ke8 n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ke8 s VAL 289 N -3.22 2.86 0.38 2.12 0.11 -1.04 -5.04 120.40 116.58 1ke8 s VAL 289 Ca 0.46 0.83 0.06 0.00 -2.93 0.00 0.00 61.98 60.40 1ke8 s VAL 289 Cb 0.41 -3.51 -0.02 0.00 -1.53 0.00 0.00 36.38 31.73 1ke8 s VAL 289 CO 0.02 0.17 0.20 0.42 -3.33 0.00 0.00 175.10 172.58 1ke8 s THR 290 N -1.21 0.29 -0.63 5.04 -4.23 -1.26 -5.09 115.64 108.55 1ke8 s THR 290 Ca 0.51 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.07 1ke8 s THR 290 Cb -0.37 -2.38 0.16 0.00 1.34 0.00 0.00 72.50 71.25 1ke8 s THR 290 CO 0.48 0.00 0.42 -0.75 -0.54 0.00 0.00 174.62 174.24 1ke8 s LYS 291 N -3.56 2.13 0.63 3.99 2.20 -1.26 -4.41 119.74 119.45 1ke8 s LYS 291 Ca 0.30 -3.01 -0.15 0.00 -0.36 0.00 0.00 55.97 52.76 1ke8 s LYS 291 Cb 0.02 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1ke8 s LYS 291 CO 0.21 -1.26 1.07 -2.14 -0.36 0.00 0.00 175.35 172.86 1ke8 s PRO 292 N -0.99 3.11 -0.25 4.03 0.02 -1.26 -5.02 135.00 134.65 1ke8 s PRO 292 Ca 0.24 1.23 -0.10 0.00 0.02 0.00 0.00 61.00 62.39 1ke8 s PRO 292 Cb -0.08 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 1ke8 s PRO 292 CO -0.13 -0.98 0.15 0.14 -0.33 0.00 0.00 177.00 175.84 1ke8 s VAL 293 N -2.49 5.08 0.53 3.83 -7.23 -1.26 -4.58 120.40 114.28 1ke8 s VAL 293 Ca 0.64 0.09 -0.17 0.00 -1.81 0.00 0.00 61.98 60.73 1ke8 s VAL 293 Cb -0.17 -3.39 -0.07 0.00 0.56 0.00 0.00 36.38 33.31 1ke8 s VAL 293 CO 0.40 0.32 1.01 -2.16 -0.31 0.00 0.00 175.10 174.36 1ke8 s PRO 294 N 1.39 3.77 -0.44 4.82 0.04 -1.26 -5.01 135.00 138.31 1ke8 s PRO 294 Ca 0.07 1.05 -0.22 0.00 0.04 0.00 0.00 61.00 61.94 1ke8 s PRO 294 Cb -0.15 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.31 1ke8 s PRO 294 CO 0.07 -0.43 0.69 -1.58 0.04 0.00 0.00 177.00 175.80 1ke8 s HIS 295 N -2.53 3.04 -0.11 0.56 2.46 -1.26 -4.94 115.29 112.52 1ke8 s HIS 295 Ca 0.61 0.04 -0.01 0.00 0.47 0.00 0.00 55.06 56.16 1ke8 s HIS 295 Cb -0.12 -3.46 -0.03 0.00 -0.13 0.00 0.00 32.58 28.85 1ke8 s HIS 295 CO 0.32 -0.90 -0.06 -0.51 -2.47 0.00 0.00 174.74 171.11 1ke8 s LEU 296 N 2.99 3.16 -0.45 8.88 1.43 -1.26 -5.07 118.68 128.35 1ke8 s LEU 296 Ca 0.25 -0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.19 1ke8 s LEU 296 Cb -0.13 -1.72 0.12 0.00 0.03 0.00 0.00 46.19 44.48 1ke8 s LEU 296 CO 0.20 0.26 0.30 -0.60 0.23 0.00 0.00 176.35 176.74 1ke8 s ARG 297 N -0.20 2.30 0.00 1.70 3.52 -1.26 -5.12 118.95 119.89 1ke8 s ARG 297 Ca 0.03 -1.80 0.27 0.00 -0.13 0.00 0.00 55.73 54.10 1ke8 s ARG 297 Cb -0.13 -3.80 0.87 0.00 -1.56 0.00 0.00 34.95 30.34 1ke8 s ARG 297 CO 0.03 -1.15 1.64 1.28 -0.81 0.00 0.00 175.30 176.29