#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h8k s GLY 3 N 0.00 1.54 0.21 0.00 0.00 -1.26 -4.77 107.32 103.03 3h8k s GLY 3 Ca 0.00 -0.62 -0.10 0.00 0.00 0.00 0.00 44.72 44.00 3h8k s GLY 3 CO 0.00 0.19 1.86 -0.84 0.00 0.00 0.00 173.10 174.31 3h8k h THR 4 N -2.58 1.12 0.01 0.90 2.02 -1.91 -2.36 112.91 110.10 3h8k h THR 4 Ca -0.51 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.37 3h8k h THR 4 Cb 1.32 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3h8k h THR 4 CO 0.43 0.16 -0.07 0.00 0.37 0.00 0.00 175.52 176.42 3h8k h ALA 5 N 1.29 -0.08 -0.38 6.16 0.00 -1.78 -1.18 119.26 123.29 3h8k h ALA 5 Ca 0.28 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3h8k h ALA 5 Cb -0.02 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3h8k h ALA 5 CO -0.09 -0.56 0.22 1.25 0.00 0.00 0.00 179.25 180.06 3h8k h LEU 6 N -0.12 0.34 0.07 0.00 5.85 -1.84 -1.17 115.31 118.44 3h8k h LEU 6 Ca 0.03 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3h8k h LEU 6 Cb 0.15 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3h8k h LEU 6 CO -0.07 0.25 -0.24 0.11 -0.34 0.00 0.00 178.44 178.16 3h8k h LYS 7 N 0.44 -0.39 -0.76 1.25 1.57 -1.16 -0.73 116.57 116.78 3h8k h LYS 7 Ca 0.15 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 3h8k h LYS 7 Cb 0.02 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3h8k h LYS 7 CO -0.08 -0.26 0.50 -0.09 -0.57 0.00 0.00 179.45 178.95 3h8k h ARG 8 N -0.41 0.97 -0.33 3.15 9.65 -0.99 -1.52 114.38 124.90 3h8k h ARG 8 Ca 0.04 -0.06 -0.15 0.00 -1.10 0.00 0.00 59.98 58.71 3h8k h ARG 8 Cb 0.46 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 3h8k h ARG 8 CO -0.16 0.64 -0.39 -0.07 2.80 0.00 0.00 179.97 182.79 3h8k h LEU 9 N 1.00 0.84 -0.64 3.80 3.38 -0.92 0.20 115.31 122.98 3h8k h LEU 9 Ca 0.29 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3h8k h LEU 9 Cb -0.07 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3h8k h LEU 9 CO -0.08 1.13 0.17 0.24 0.09 0.00 0.00 178.44 180.00 3h8k h MET 10 N 0.65 1.01 -0.11 1.13 2.86 -1.01 -1.49 114.93 117.96 3h8k h MET 10 Ca 0.05 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3h8k h MET 10 Cb 0.95 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 3h8k h MET 10 CO 0.09 0.90 0.07 0.00 1.06 0.00 0.00 176.91 179.03 3h8k h ALA 11 N 1.06 0.14 -0.38 6.32 0.00 -0.93 -0.93 119.26 124.54 3h8k h ALA 11 Ca 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h8k h ALA 11 Cb 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3h8k h ALA 11 CO -0.00 -0.36 0.25 0.93 0.00 0.00 0.00 179.25 180.07 3h8k h GLU 12 N 0.13 0.50 -0.69 0.00 5.08 -0.88 -2.56 114.58 116.17 3h8k h GLU 12 Ca 0.04 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3h8k h GLU 12 Cb 0.01 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 3h8k h GLU 12 CO -0.01 0.34 0.37 -0.92 -1.00 0.00 0.00 179.01 177.80 3h8k h TYR 13 N 0.51 0.96 -0.40 4.33 3.20 -1.10 -1.67 116.97 122.80 3h8k h TYR 13 Ca 0.14 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.04 3h8k h TYR 13 Cb -0.04 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 37.87 3h8k h TYR 13 CO -0.05 0.69 0.08 -0.22 -1.64 0.00 0.00 178.16 177.03 3h8k h LYS 14 N 0.96 0.21 -0.46 1.82 3.64 -0.96 0.12 116.57 121.89 3h8k h LYS 14 Ca 0.24 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3h8k h LYS 14 Cb 0.06 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3h8k h LYS 14 CO -0.04 0.14 0.22 0.37 -2.27 0.00 0.00 179.45 177.87 3h8k h GLN 15 N 0.21 0.63 -0.27 1.90 5.75 -1.03 0.43 115.11 122.73 3h8k h GLN 15 Ca 0.19 -0.07 -0.16 0.00 -0.15 0.00 0.00 58.65 58.46 3h8k h GLN 15 Cb 0.23 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 3h8k h GLN 15 CO -0.25 0.49 -0.47 -0.07 -2.65 0.00 0.00 178.83 175.89 3h8k h LEU 16 N 0.64 0.78 -0.27 -2.39 3.38 -0.36 -1.15 115.31 115.95 3h8k h LEU 16 Ca 0.16 -0.38 -0.21 0.00 0.09 0.00 0.00 57.88 57.54 3h8k h LEU 16 Cb 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3h8k h LEU 16 CO -0.02 1.13 -0.83 0.71 0.09 0.00 0.00 178.44 179.51 3h8k h THR 17 N 0.57 1.37 -0.23 0.22 1.35 -0.55 -2.76 112.91 112.88 3h8k h THR 17 Ca 0.03 -2.25 -0.04 0.00 -0.55 0.00 0.00 66.41 63.60 3h8k h THR 17 Cb 1.03 2.23 -0.01 0.00 -1.73 0.00 0.00 68.15 69.67 3h8k h THR 17 CO 0.10 0.68 -0.03 0.25 -0.25 0.00 0.00 175.52 176.27 3h8k h LEU 18 N 0.29 0.43 -6.36 3.87 5.85 -0.87 -3.37 115.31 115.15 3h8k h LEU 18 Ca -0.06 -0.34 -0.59 0.00 0.84 0.00 0.00 57.88 57.74 3h8k h LEU 18 Cb 1.44 -0.12 -0.40 0.00 0.37 0.00 0.00 40.66 41.95 3h8k h LEU 18 CO 0.15 0.67 -0.83 -3.20 -0.34 0.00 0.00 178.44 174.88 3h8k n ASN 19 N -4.61 1.56 -4.67 1.25 5.15 -0.44 -5.09 115.26 108.41 3h8k n ASN 19 Ca -0.04 -2.93 -0.47 0.00 -0.60 0.00 0.00 54.58 50.55 3h8k n ASN 19 Cb 0.27 -0.65 -0.04 0.00 -0.53 0.00 0.00 39.78 38.82 3h8k n ASN 19 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 3h8k n PRO 20 N 1.70 2.14 -2.43 1.20 -0.02 -1.04 -4.73 135.00 131.81 3h8k n PRO 20 Ca 0.25 0.77 -0.40 0.00 -2.02 0.00 0.00 63.50 62.10 3h8k n PRO 20 Cb 0.45 -2.57 -0.04 0.00 -0.02 0.00 0.00 33.50 31.32 3h8k n PRO 20 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h8k s PRO 21 N 1.94 4.59 0.11 0.52 0.04 -1.26 -4.98 135.00 135.96 3h8k s PRO 21 Ca 0.83 1.85 -0.31 0.00 0.04 0.00 0.00 61.00 63.41 3h8k s PRO 21 Cb -0.69 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 30.60 3h8k s PRO 21 CO 0.43 0.15 1.63 -2.00 0.04 0.00 0.00 177.00 177.25 3h8k s GLU 22 N -1.51 4.20 0.00 4.56 2.56 -1.26 -2.72 118.70 124.52 3h8k s GLU 22 Ca 0.45 2.36 0.00 0.00 0.00 0.00 0.00 54.97 57.78 3h8k s GLU 22 Cb -0.33 -3.43 0.00 0.00 2.00 0.00 0.00 34.13 32.37 3h8k s GLU 22 CO 0.42 -0.69 0.00 0.41 -0.56 0.00 0.00 175.26 174.84 3h8k n GLY 23 N 3.92 0.69 2.85 -1.50 0.00 -1.26 -5.00 105.19 104.89 3h8k n GLY 23 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 3h8k n GLY 23 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h8k s ILE 24 N -2.81 0.52 -0.11 -0.61 1.01 -1.10 -1.25 121.20 116.84 3h8k s ILE 24 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.61 3h8k s ILE 24 Cb 0.00 -0.59 0.02 0.00 0.01 0.00 0.00 42.46 41.90 3h8k s ILE 24 CO 0.00 0.25 -0.13 -0.69 0.00 0.00 0.00 174.94 174.37 3h8k s VAL 25 N 1.35 1.35 -0.13 2.92 1.01 -0.12 -4.29 120.40 122.49 3h8k s VAL 25 Ca -0.04 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 3h8k s VAL 25 Cb -0.13 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.02 3h8k s VAL 25 CO -0.02 0.41 0.37 0.00 0.00 0.00 0.00 175.10 175.86 3h8k s ALA 26 N 1.19 -0.91 0.00 5.51 0.00 -1.26 0.06 121.76 126.35 3h8k s ALA 26 Ca -0.03 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3h8k s ALA 26 Cb -0.14 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.42 3h8k s ALA 26 CO -0.04 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3h8k n GLY 27 N 2.76 0.37 3.77 0.00 0.00 -0.93 -4.94 105.19 106.22 3h8k n GLY 27 Ca -0.14 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 3h8k n GLY 27 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h8k s PRO 28 N -2.00 4.13 0.26 1.61 0.02 -1.26 -1.54 135.00 136.21 3h8k s PRO 28 Ca 0.00 2.55 -0.05 0.00 0.02 0.00 0.00 61.00 63.52 3h8k s PRO 28 Cb 0.00 -2.99 0.29 0.00 0.02 0.00 0.00 34.50 31.82 3h8k s PRO 28 CO 0.00 -0.54 1.91 0.52 -0.33 0.00 0.00 177.00 178.56 3h8k h MET 29 N 3.50 1.24 -3.18 5.54 2.86 -1.76 -3.43 114.93 119.70 3h8k h MET 29 Ca -0.50 -0.11 -0.23 0.00 -2.06 0.00 0.00 59.70 56.81 3h8k h MET 29 Cb 1.23 -0.26 -0.31 0.00 0.06 0.00 0.00 31.60 32.32 3h8k h MET 29 CO 0.68 0.86 -0.57 1.21 1.06 0.00 0.00 176.91 180.15 3h8k s ASN 30 N -6.22 -0.12 0.00 1.22 3.84 -1.26 -5.04 114.94 107.36 3h8k s ASN 30 Ca -0.12 0.37 0.13 0.00 0.21 0.00 0.00 52.86 53.44 3h8k s ASN 30 Cb 0.17 0.26 0.66 0.00 -0.55 0.00 0.00 41.25 41.79 3h8k s ASN 30 CO 0.82 -0.16 1.31 -0.62 -2.79 0.00 0.00 177.10 175.66 3h8k n GLU 31 N 4.26 0.21 0.03 0.43 1.02 -1.26 -1.17 120.64 124.16 3h8k n GLU 31 Ca -0.25 0.15 0.12 0.00 -0.02 0.00 0.00 57.16 57.15 3h8k n GLU 31 Cb 0.52 -1.50 0.50 0.00 -0.02 0.00 0.00 31.44 30.94 3h8k n GLU 31 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 3h8k n GLU 32 N -1.25 0.06 -3.44 3.49 0.28 -1.26 -4.31 120.64 114.21 3h8k n GLU 32 Ca 0.07 0.13 -0.28 0.00 -0.16 0.00 0.00 57.16 56.92 3h8k n GLU 32 Cb 0.10 -1.59 -0.11 0.00 1.43 0.00 0.00 31.44 31.27 3h8k n GLU 32 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 3h8k s ASN 33 N -3.39 2.51 0.00 -1.84 3.84 -0.32 -4.98 114.94 110.76 3h8k s ASN 33 Ca 0.11 -2.34 0.14 0.00 0.21 0.00 0.00 52.86 50.98 3h8k s ASN 33 Cb 0.15 -0.34 0.82 0.00 -0.55 0.00 0.00 41.25 41.33 3h8k s ASN 33 CO 0.47 -0.28 1.29 0.49 -2.79 0.00 0.00 177.10 176.29 3h8k n PHE 34 N 3.79 0.00 1.33 0.43 3.01 -1.26 -3.01 117.46 121.74 3h8k n PHE 34 Ca 0.16 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.75 3h8k n PHE 34 Cb 0.40 -0.06 0.46 0.00 -0.01 0.00 0.00 39.48 40.26 3h8k n PHE 34 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3h8k n PHE 35 N -1.06 0.00 -3.88 1.38 3.01 -1.26 -4.70 117.46 110.94 3h8k n PHE 35 Ca 0.10 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.26 3h8k n PHE 35 Cb 0.06 -0.11 -0.16 0.00 -0.01 0.00 0.00 39.48 39.26 3h8k n PHE 35 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3h8k s GLU 36 N -2.41 1.36 0.18 -1.08 0.41 -1.17 -0.90 118.70 115.09 3h8k s GLU 36 Ca 0.28 -0.84 0.08 0.00 -0.41 0.00 0.00 54.97 54.08 3h8k s GLU 36 Cb 0.20 -2.46 -0.04 0.00 -1.78 0.00 0.00 34.13 30.05 3h8k s GLU 36 CO 0.48 -0.61 -0.02 -1.58 -0.49 0.00 0.00 175.26 173.04 3h8k s TRP 37 N 1.52 2.80 -0.09 1.61 0.52 0.51 -2.38 118.94 123.43 3h8k s TRP 37 Ca -0.05 -0.16 -0.01 0.00 0.02 0.00 0.00 56.10 55.91 3h8k s TRP 37 Cb -0.18 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 30.75 3h8k s TRP 37 CO -0.07 0.52 -0.04 -1.21 0.02 0.00 0.00 176.95 176.18 3h8k s GLU 38 N -2.95 2.95 0.07 4.98 2.02 -0.59 -0.42 118.70 124.77 3h8k s GLU 38 Ca 0.27 -0.49 0.06 0.00 0.02 0.00 0.00 54.97 54.83 3h8k s GLU 38 Cb -0.09 -2.71 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 3h8k s GLU 38 CO 0.18 0.63 -0.16 0.00 0.02 0.00 0.00 175.26 175.93 3h8k s ALA 39 N -0.70 1.36 -0.08 5.21 0.00 0.20 -2.18 121.76 125.56 3h8k s ALA 39 Ca 0.11 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.06 3h8k s ALA 39 Cb -0.11 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 22.86 3h8k s ALA 39 CO 0.02 0.24 -0.12 -0.51 0.00 0.00 0.00 175.76 175.39 3h8k s LEU 40 N -1.62 1.56 0.02 0.00 1.43 0.11 -0.58 118.68 119.60 3h8k s LEU 40 Ca 0.01 -0.31 0.05 0.00 -1.03 0.00 0.00 54.13 52.85 3h8k s LEU 40 Cb -0.09 -0.86 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 3h8k s LEU 40 CO 0.02 0.00 -0.14 0.27 0.23 0.00 0.00 176.35 176.73 3h8k s ILE 41 N 0.90 1.15 -0.17 -0.59 -4.36 -0.99 -0.95 121.20 116.20 3h8k s ILE 41 Ca -0.10 -0.83 -0.09 0.00 -0.26 0.00 0.00 60.65 59.38 3h8k s ILE 41 Cb -0.15 -1.00 -0.05 0.00 1.25 0.00 0.00 42.46 42.52 3h8k s ILE 41 CO 0.01 0.16 0.12 -0.32 0.24 0.00 0.00 174.94 175.15 3h8k s MET 42 N -0.77 3.89 0.21 0.37 -2.45 -0.38 -0.92 119.30 119.25 3h8k s MET 42 Ca 0.04 -0.21 -0.32 0.00 -1.25 0.00 0.00 55.69 53.95 3h8k s MET 42 Cb -0.07 -3.31 -0.13 0.00 1.25 0.00 0.00 34.83 32.58 3h8k s MET 42 CO 0.00 0.47 1.64 0.41 1.05 0.00 0.00 175.02 178.59 3h8k n GLY 43 N 2.98 1.33 3.77 2.11 0.00 -0.37 -4.88 105.19 110.12 3h8k n GLY 43 Ca -0.17 0.59 -0.40 0.00 0.00 0.00 0.00 46.02 46.03 3h8k n GLY 43 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h8k s PRO 44 N 0.66 4.18 0.50 1.61 0.02 -1.26 -1.32 135.00 139.38 3h8k s PRO 44 Ca 0.73 2.31 -0.22 0.00 0.02 0.00 0.00 61.00 63.85 3h8k s PRO 44 Cb -0.56 -2.96 -0.08 0.00 0.02 0.00 0.00 34.50 30.92 3h8k s PRO 44 CO 0.38 -0.37 0.97 -1.91 -0.33 0.00 0.00 177.00 175.74 3h8k n GLU 45 N 0.52 1.16 -1.55 5.54 2.13 -1.26 -2.87 120.64 124.30 3h8k n GLU 45 Ca 0.01 0.43 -0.12 0.00 0.66 0.00 0.00 57.16 58.14 3h8k n GLU 45 Cb 0.41 -2.08 -0.04 0.00 0.27 0.00 0.00 31.44 30.00 3h8k n GLU 45 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3h8k n ASP 46 N 0.03 -4.32 -4.48 4.31 8.00 -1.26 -4.97 116.55 113.87 3h8k n ASP 46 Ca 0.11 0.23 -0.25 0.00 0.71 0.00 0.00 54.79 55.58 3h8k n ASP 46 Cb 0.43 -3.03 -0.10 0.00 -0.02 0.00 0.00 41.12 38.40 3h8k n ASP 46 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3h8k s THR 47 N -2.49 1.28 -0.07 -3.53 -4.23 -1.14 -5.03 115.64 100.44 3h8k s THR 47 Ca 0.00 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.82 3h8k s THR 47 Cb 0.00 -2.68 0.35 0.00 1.34 0.00 0.00 72.50 71.51 3h8k s THR 47 CO 0.00 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 175.99 3h8k n PHE 49 N -2.84 1.78 -1.66 0.00 3.72 -1.26 -3.99 117.46 113.20 3h8k n PHE 49 Ca 0.01 -0.71 -0.49 0.00 -0.05 0.00 0.00 57.45 56.21 3h8k n PHE 49 Cb 0.29 -0.41 -0.05 0.00 -0.94 0.00 0.00 39.48 38.36 3h8k n PHE 49 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 3h8k n GLU 50 N 0.62 1.87 -0.94 -1.08 0.28 -0.81 -2.00 120.64 118.58 3h8k n GLU 50 Ca 0.26 0.68 0.00 0.00 -0.16 0.00 0.00 57.16 57.94 3h8k n GLU 50 Cb 1.08 -2.44 0.00 0.00 1.43 0.00 0.00 31.44 31.51 3h8k n GLU 50 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 3h8k n PHE 51 N 4.19 0.00 -1.72 -1.84 3.72 -0.43 -4.91 117.46 116.46 3h8k n PHE 51 Ca 0.19 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.25 3h8k n PHE 51 Cb 0.26 -0.32 0.06 0.00 -0.94 0.00 0.00 39.48 38.53 3h8k n PHE 51 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3h8k s GLY 52 N -2.00 2.34 -0.20 1.37 0.00 -0.85 -4.78 107.32 103.21 3h8k s GLY 52 Ca 0.00 0.75 -0.00 0.00 0.00 0.00 0.00 44.72 45.47 3h8k s GLY 52 CO 0.00 1.13 -0.04 0.14 0.00 0.00 0.00 173.10 174.33 3h8k s VAL 53 N -2.06 1.22 -0.25 1.40 1.01 -1.26 -1.24 120.40 119.21 3h8k s VAL 53 Ca 0.71 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3h8k s VAL 53 Cb -0.25 -1.48 0.06 0.00 0.00 0.00 0.00 36.38 34.70 3h8k s VAL 53 CO 0.40 -0.02 -0.10 -0.36 0.00 0.00 0.00 175.10 175.03 3h8k s PHE 54 N 1.56 2.99 0.26 5.22 0.08 -0.10 -4.78 117.98 123.22 3h8k s PHE 54 Ca -0.02 -2.14 -0.23 0.00 0.12 0.00 0.00 56.93 54.66 3h8k s PHE 54 Cb -0.17 -1.82 -0.09 0.00 -0.57 0.00 0.00 43.02 40.37 3h8k s PHE 54 CO -0.07 -0.85 0.82 -1.25 -0.10 0.00 0.00 175.22 173.77 3h8k s PRO 55 N 1.19 4.41 0.03 0.24 0.05 -1.26 -2.33 135.00 137.33 3h8k s PRO 55 Ca -0.08 1.08 -0.09 0.00 0.05 0.00 0.00 61.00 61.96 3h8k s PRO 55 Cb -0.19 -2.87 0.00 0.00 0.05 0.00 0.00 34.50 31.49 3h8k s PRO 55 CO -0.06 0.36 0.18 0.00 0.05 0.00 0.00 177.00 177.53 3h8k s ALA 56 N -1.54 -0.35 -0.14 8.56 0.00 0.26 -1.32 121.76 127.24 3h8k s ALA 56 Ca 0.45 -0.25 -0.05 0.00 0.00 0.00 0.00 51.96 52.12 3h8k s ALA 56 Cb -0.18 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 3h8k s ALA 56 CO 0.22 -0.32 0.04 0.42 0.00 0.00 0.00 175.76 176.13 3h8k s ILE 57 N -2.27 4.66 -0.20 0.00 -1.09 0.36 -0.63 121.20 122.02 3h8k s ILE 57 Ca -0.07 -0.10 -0.03 0.00 -2.23 0.00 0.00 60.65 58.22 3h8k s ILE 57 Cb -0.03 -3.04 -0.01 0.00 -1.58 0.00 0.00 42.46 37.81 3h8k s ILE 57 CO -0.02 0.54 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.40 3h8k s LEU 58 N -0.29 2.82 -0.21 2.97 1.43 0.44 -1.21 118.68 124.62 3h8k s LEU 58 Ca 0.08 -0.40 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3h8k s LEU 58 Cb -0.12 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 3h8k s LEU 58 CO 0.02 0.01 -0.06 -0.44 0.23 0.00 0.00 176.35 176.10 3h8k s SER 59 N 1.30 4.16 -0.05 2.29 0.01 -0.14 -0.36 113.70 120.91 3h8k s SER 59 Ca 0.04 -0.42 -0.07 0.00 1.31 0.00 0.00 55.95 56.80 3h8k s SER 59 Cb -0.14 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.33 3h8k s SER 59 CO -0.03 -0.01 0.23 -0.36 0.41 0.00 0.00 173.24 173.47 3h8k s PHE 60 N 1.44 3.61 0.65 2.43 0.40 -0.08 -0.58 117.98 125.85 3h8k s PHE 60 Ca 0.05 0.59 -0.12 0.00 -0.60 0.00 0.00 56.93 56.86 3h8k s PHE 60 Cb -0.14 -1.99 -0.01 0.00 0.51 0.00 0.00 43.02 41.38 3h8k s PHE 60 CO -0.04 0.67 1.05 -1.25 0.70 0.00 0.00 175.22 176.35 3h8k s PRO 61 N -1.39 3.20 0.54 0.24 0.04 -1.26 -4.91 135.00 131.47 3h8k s PRO 61 Ca 0.22 0.94 0.23 0.00 0.04 0.00 0.00 61.00 62.43 3h8k s PRO 61 Cb -0.13 -2.03 1.52 0.00 0.04 0.00 0.00 34.50 33.90 3h8k s PRO 61 CO 0.11 -0.89 2.17 1.25 0.04 0.00 0.00 177.00 179.69 3h8k h LEU 62 N -0.37 0.00 -2.33 -3.56 5.85 -1.98 -2.63 115.31 110.29 3h8k h LEU 62 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3h8k h LEU 62 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3h8k h LEU 62 CO 0.58 0.03 0.00 -0.90 -0.34 0.00 0.00 178.44 177.82 3h8k n ASP 63 N -4.09 3.40 -4.60 1.25 5.75 -1.26 -4.52 116.55 112.47 3h8k n ASP 63 Ca -0.03 -2.02 -0.46 0.00 -0.01 0.00 0.00 54.79 52.27 3h8k n ASP 63 Cb 0.12 -0.43 -0.02 0.00 -1.03 0.00 0.00 41.12 39.76 3h8k n ASP 63 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h8k n TYR 64 N 1.32 1.45 -0.51 2.11 9.36 -0.99 -1.06 117.16 128.84 3h8k n TYR 64 Ca 0.21 0.65 0.03 0.00 3.32 0.00 0.00 57.90 62.11 3h8k n TYR 64 Cb 0.54 -2.30 0.30 0.00 -0.63 0.00 0.00 39.34 37.26 3h8k n TYR 64 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3h8k n PRO 65 N 1.23 3.84 0.12 2.98 -0.05 -1.26 -3.24 135.00 138.62 3h8k n PRO 65 Ca 0.11 -2.45 -0.01 0.00 -0.05 0.00 0.00 63.50 61.10 3h8k n PRO 65 Cb 0.30 -2.09 0.23 0.00 -0.05 0.00 0.00 33.50 31.89 3h8k n PRO 65 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 175.50 175.38 3h8k h LEU 66 N 2.90 0.17 -9.01 1.53 3.38 -1.50 -3.30 115.31 109.48 3h8k h LEU 66 Ca 0.05 -0.07 -0.57 0.00 0.09 0.00 0.00 57.88 57.38 3h8k h LEU 66 Cb 1.75 -0.05 -0.16 0.00 0.09 0.00 0.00 40.66 42.29 3h8k h LEU 66 CO 0.44 0.61 -0.78 -0.44 0.09 0.00 0.00 178.44 178.36 3h8k s SER 67 N -6.89 3.13 0.55 -0.43 0.01 -1.26 -4.82 113.70 104.01 3h8k s SER 67 Ca -0.04 -0.95 -0.08 0.00 1.31 0.00 0.00 55.95 56.20 3h8k s SER 67 Cb 0.13 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 66.10 3h8k s SER 67 CO 0.76 0.00 0.91 -2.16 0.41 0.00 0.00 173.24 173.16 3h8k s PRO 68 N -3.15 3.56 0.88 12.44 0.05 -1.26 -4.45 135.00 143.07 3h8k s PRO 68 Ca 0.23 0.46 -0.12 0.00 0.05 0.00 0.00 61.00 61.62 3h8k s PRO 68 Cb -0.05 -2.23 0.12 0.00 0.05 0.00 0.00 34.50 32.39 3h8k s PRO 68 CO 0.10 -0.39 1.12 -1.25 0.05 0.00 0.00 177.00 176.63 3h8k s PRO 69 N -4.96 1.38 -0.03 0.56 0.05 -1.26 -4.49 135.00 126.25 3h8k s PRO 69 Ca 0.51 0.45 -0.10 0.00 0.05 0.00 0.00 61.00 61.91 3h8k s PRO 69 Cb -0.11 -1.85 -0.05 0.00 0.05 0.00 0.00 34.50 32.54 3h8k s PRO 69 CO 0.49 -2.07 0.29 0.15 0.05 0.00 0.00 177.00 175.92 3h8k s LYS 70 N -5.19 3.68 -0.06 4.56 1.02 0.26 -4.93 119.74 119.08 3h8k s LYS 70 Ca 0.63 0.12 0.02 0.00 0.02 0.00 0.00 55.97 56.76 3h8k s LYS 70 Cb -0.15 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 34.01 3h8k s LYS 70 CO 0.54 0.70 -0.11 1.41 -0.92 0.00 0.00 175.35 176.97 3h8k s MET 71 N -1.28 1.52 -0.06 1.68 1.75 -1.26 -0.97 119.30 120.68 3h8k s MET 71 Ca 0.22 -0.36 -0.00 0.00 -1.25 0.00 0.00 55.69 54.30 3h8k s MET 71 Cb -0.14 -1.28 0.03 0.00 2.84 0.00 0.00 34.83 36.27 3h8k s MET 71 CO 0.11 0.02 -0.02 0.50 -0.65 0.00 0.00 175.02 174.98 3h8k s ARG 72 N 0.67 0.69 0.30 4.11 3.52 -0.35 -1.29 118.95 126.60 3h8k s ARG 72 Ca -0.13 0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.20 3h8k s ARG 72 Cb -0.15 -0.91 -0.10 0.00 -1.56 0.00 0.00 34.95 32.23 3h8k s ARG 72 CO 0.03 -0.21 1.26 -0.06 -0.81 0.00 0.00 175.30 175.50 3h8k s PHE 73 N 1.52 3.20 -0.88 5.12 0.08 0.02 -0.49 117.98 126.57 3h8k s PHE 73 Ca -0.02 1.46 0.21 0.00 0.12 0.00 0.00 56.93 58.70 3h8k s PHE 73 Cb -0.13 -3.57 -0.24 0.00 -0.57 0.00 0.00 43.02 38.51 3h8k s PHE 73 CO -0.03 -1.54 0.84 0.25 -0.10 0.00 0.00 175.22 174.63 3h8k n THR 74 N 1.12 0.00 -2.73 0.64 -2.24 -0.43 -4.44 114.28 106.19 3h8k n THR 74 Ca 0.00 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.52 3h8k n THR 74 Cb 0.43 0.89 0.03 0.00 -2.10 0.00 0.00 70.33 69.57 3h8k n THR 74 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h8k s GLU 76 N -4.67 4.45 0.09 0.00 2.12 -1.26 -4.93 118.70 114.49 3h8k s GLU 76 Ca 0.56 2.03 0.00 0.00 0.36 0.00 0.00 54.97 57.93 3h8k s GLU 76 Cb -0.10 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 3h8k s GLU 76 CO 0.37 -0.10 -0.02 -1.64 -0.54 0.00 0.00 175.26 173.34 3h8k s MET 77 N -1.07 0.79 -0.33 4.30 -1.94 -1.26 -4.95 119.30 114.83 3h8k s MET 77 Ca 0.50 -1.33 0.02 0.00 -1.71 0.00 0.00 55.69 53.17 3h8k s MET 77 Cb -0.36 0.04 0.15 0.00 2.01 0.00 0.00 34.83 36.66 3h8k s MET 77 CO 0.44 -0.11 0.36 0.12 -0.01 0.00 0.00 175.02 175.82 3h8k s PHE 78 N -3.82 -0.48 -0.16 -0.03 5.36 -1.26 -5.02 117.98 112.56 3h8k s PHE 78 Ca 0.13 -0.42 -0.20 0.00 -0.96 0.00 0.00 56.93 55.49 3h8k s PHE 78 Cb 0.07 -0.38 0.05 0.00 -0.34 0.00 0.00 43.02 42.42 3h8k s PHE 78 CO -0.05 -0.96 0.53 -1.58 -1.46 0.00 0.00 175.22 171.71 3h8k s HIS 79 N 1.93 -0.56 0.53 10.12 2.46 -1.26 -4.91 115.29 123.60 3h8k s HIS 79 Ca 0.13 1.28 0.20 0.00 0.47 0.00 0.00 55.06 57.14 3h8k s HIS 79 Cb -0.14 0.22 1.38 0.00 -0.13 0.00 0.00 32.58 33.90 3h8k s HIS 79 CO -0.18 -0.34 2.14 -1.35 -2.47 0.00 0.00 174.74 172.55 3h8k h PRO 80 N 4.84 0.00 -0.72 2.88 0.11 -1.81 -2.53 132.00 134.77 3h8k h PRO 80 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3h8k h PRO 80 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3h8k h PRO 80 CO 0.22 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.10 3h8k n ASN 81 N -4.40 4.16 -4.16 -2.05 3.02 -1.26 -0.57 115.26 110.01 3h8k n ASN 81 Ca -0.01 -2.12 -0.33 0.00 -0.03 0.00 0.00 54.58 52.09 3h8k n ASN 81 Cb 0.16 -0.52 -0.16 0.00 -0.61 0.00 0.00 39.78 38.65 3h8k n ASN 81 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3h8k s ILE 82 N -1.24 2.12 0.79 2.41 1.01 -0.95 -1.22 121.20 124.12 3h8k s ILE 82 Ca 0.50 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 3h8k s ILE 82 Cb 0.28 -1.87 0.07 0.00 0.01 0.00 0.00 42.46 40.95 3h8k s ILE 82 CO 0.31 0.54 1.15 -0.31 0.00 0.00 0.00 174.94 176.64 3h8k s TYR 83 N 1.04 2.10 0.63 3.97 2.02 -0.50 -3.71 117.35 122.90 3h8k s TYR 83 Ca -0.01 1.65 0.30 0.00 -0.37 0.00 0.00 57.07 58.64 3h8k s TYR 83 Cb -0.14 -3.31 1.63 0.00 -0.40 0.00 0.00 41.96 39.74 3h8k s TYR 83 CO -0.07 -2.39 1.97 -1.35 -1.57 0.00 0.00 175.55 172.15 3h8k h PRO 84 N -0.92 0.00 -0.01 -1.71 0.11 -1.90 0.15 132.00 127.72 3h8k h PRO 84 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h8k h PRO 84 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3h8k h PRO 84 CO 0.48 0.00 -0.15 -0.40 -0.21 0.00 0.00 178.00 177.72 3h8k n ASP 85 N -3.34 0.98 0.00 -2.05 5.68 -1.26 -4.93 116.55 111.62 3h8k n ASP 85 Ca 0.02 -0.98 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 3h8k n ASP 85 Cb 0.44 0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 3h8k n ASP 85 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h8k n GLY 86 N 1.27 1.66 3.75 6.12 0.00 0.51 -4.80 105.19 113.70 3h8k n GLY 86 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3h8k n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h8k s ARG 87 N -0.93 4.13 -0.21 1.61 0.52 -1.26 -0.80 118.95 122.01 3h8k s ARG 87 Ca 0.00 2.57 -0.17 0.00 -0.52 0.00 0.00 55.73 57.60 3h8k s ARG 87 Cb 0.00 -3.04 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 3h8k s ARG 87 CO 0.00 -0.64 0.47 0.08 0.02 0.00 0.00 175.30 175.23 3h8k s VAL 88 N 0.17 5.13 -0.58 3.52 1.01 -0.41 -1.42 120.40 127.83 3h8k s VAL 88 Ca 0.65 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.47 3h8k s VAL 88 Cb -0.48 -3.80 0.15 0.00 0.00 0.00 0.00 36.38 32.26 3h8k s VAL 88 CO 0.45 0.18 0.36 0.00 0.00 0.00 0.00 175.10 176.10 3h8k s ILE 90 N -0.14 0.97 0.37 0.00 -4.36 -1.26 -4.64 121.20 112.14 3h8k s ILE 90 Ca 0.17 -1.40 0.12 0.00 -0.26 0.00 0.00 60.65 59.27 3h8k s ILE 90 Cb -0.22 -1.11 0.34 0.00 1.25 0.00 0.00 42.46 42.71 3h8k s ILE 90 CO -0.02 -0.37 1.86 0.28 0.24 0.00 0.00 174.94 176.93 3h8k h SER 91 N 4.04 0.57 0.49 4.36 0.02 -1.95 -0.12 113.55 120.96 3h8k h SER 91 Ca -0.39 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3h8k h SER 91 Cb 1.19 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3h8k h SER 91 CO 0.45 0.27 0.00 2.30 -1.14 0.00 0.00 176.83 178.71 3h8k n ILE 92 N -4.56 0.98 0.29 3.27 -5.35 -1.21 -1.42 119.36 111.36 3h8k n ILE 92 Ca 0.18 0.24 0.09 0.00 -0.27 0.00 0.00 62.75 62.99 3h8k n ILE 92 Cb 0.55 -0.99 0.14 0.00 -1.74 0.00 0.00 39.64 37.60 3h8k n ILE 92 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3h8k n LEU 93 N -1.49 2.87 -4.63 7.28 4.77 -0.06 -3.84 117.00 121.89 3h8k n LEU 93 Ca 0.04 -1.44 -0.36 0.00 -0.03 0.00 0.00 56.01 54.22 3h8k n LEU 93 Cb 0.17 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3h8k n LEU 93 CO 0.14 0.62 -0.21 -2.28 -1.33 0.00 0.00 177.39 174.32 3h8k s HIS 94 N -1.24 3.27 0.34 -1.77 2.46 -0.51 -4.80 115.29 113.04 3h8k s HIS 94 Ca 0.27 0.11 -0.29 0.00 0.47 0.00 0.00 55.06 55.62 3h8k s HIS 94 Cb 0.16 -2.20 -0.11 0.00 -0.13 0.00 0.00 32.58 30.31 3h8k s HIS 94 CO 0.23 0.06 1.39 0.00 -2.47 0.00 0.00 174.74 173.94 3h8k s ALA 95 N 0.86 3.54 0.01 1.58 0.00 -1.26 -1.29 121.76 125.20 3h8k s ALA 95 Ca 0.06 1.38 -0.34 0.00 0.00 0.00 0.00 51.96 53.06 3h8k s ALA 95 Cb -0.13 -3.53 -0.12 0.00 0.00 0.00 0.00 23.12 19.33 3h8k s ALA 95 CO 0.03 -0.80 1.78 -2.30 0.00 0.00 0.00 175.76 174.48 3h8k n PRO 96 N 0.88 2.23 -3.59 0.00 -0.02 -1.26 -4.87 135.00 128.37 3h8k n PRO 96 Ca 0.01 0.81 -0.07 0.00 -2.02 0.00 0.00 63.50 62.23 3h8k n PRO 96 Cb 0.41 -2.64 -0.04 0.00 -0.02 0.00 0.00 33.50 31.20 3h8k n PRO 96 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3h8k s GLY 97 N 2.98 -0.18 -1.09 -1.23 0.00 -1.26 -5.06 107.32 101.48 3h8k s GLY 97 Ca 0.87 2.14 -0.20 0.00 0.00 0.00 0.00 44.72 47.53 3h8k s GLY 97 CO 0.46 0.94 1.98 1.22 0.00 0.00 0.00 173.10 177.70 3h8k n ASP 98 N 0.50 3.28 -2.89 1.64 8.00 -1.26 -4.47 116.55 121.35 3h8k n ASP 98 Ca -0.06 -2.76 0.03 0.00 0.71 0.00 0.00 54.79 52.72 3h8k n ASP 98 Cb 0.58 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 3h8k n ASP 98 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3h8k s ASP 99 N 4.73 -0.36 0.58 -2.24 -1.08 -1.26 -5.05 116.67 111.99 3h8k s ASP 99 Ca 0.56 -0.11 0.28 0.00 -0.52 0.00 0.00 52.55 52.76 3h8k s ASP 99 Cb 0.10 0.68 1.50 0.00 -1.46 0.00 0.00 42.92 43.74 3h8k s ASP 99 CO 0.07 -0.05 1.95 -0.65 0.52 0.00 0.00 175.17 177.01 3h8k h PRO 100 N 5.97 0.00 -3.96 4.34 0.11 -1.98 -3.44 132.00 133.04 3h8k h PRO 100 Ca -0.05 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.90 3h8k h PRO 100 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3h8k h PRO 100 CO -0.08 0.00 -0.20 -1.33 -0.21 0.00 0.00 178.00 176.18 3h8k n MET 101 N -3.88 -2.36 -3.40 1.05 2.81 -1.26 -2.16 117.12 107.92 3h8k n MET 101 Ca 0.08 0.40 -0.13 0.00 -1.81 0.00 0.00 57.70 56.24 3h8k n MET 101 Cb 0.61 -4.92 0.01 0.00 -0.71 0.00 0.00 33.22 28.21 3h8k n MET 101 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h8k n GLY 102 N -0.64 -1.23 0.51 3.03 0.00 -1.26 -4.99 105.19 100.59 3h8k n GLY 102 Ca -0.09 0.52 -0.04 0.00 0.00 0.00 0.00 46.02 46.40 3h8k n GLY 102 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h8k n TYR 103 N -2.43 0.00 -4.02 1.61 4.01 -0.92 -4.49 117.16 110.92 3h8k n TYR 103 Ca -0.13 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.65 3h8k n TYR 103 Cb 0.58 -0.25 0.01 0.00 -0.31 0.00 0.00 39.34 39.37 3h8k n TYR 103 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 3h8k n GLU 104 N -3.87 0.09 -1.86 -0.72 2.13 -1.26 -4.65 120.64 110.49 3h8k n GLU 104 Ca -0.07 -0.61 -0.33 0.00 0.66 0.00 0.00 57.16 56.81 3h8k n GLU 104 Cb 0.26 1.09 -0.04 0.00 0.27 0.00 0.00 31.44 33.02 3h8k n GLU 104 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3h8k s SER 105 N -3.78 4.87 -1.48 4.31 0.15 -1.26 -2.93 113.70 113.57 3h8k s SER 105 Ca 0.30 0.29 -0.03 0.00 0.70 0.00 0.00 55.95 57.20 3h8k s SER 105 Cb -0.00 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.80 3h8k s SER 105 CO -0.02 -2.76 0.42 -1.20 1.20 0.00 0.00 173.24 170.88 3h8k n SER 106 N 14.51 -0.63 -4.43 5.45 7.64 -1.26 -4.83 113.62 130.06 3h8k n SER 106 Ca 0.32 -1.05 -0.38 0.00 1.01 0.00 0.00 58.87 58.77 3h8k n SER 106 Cb 0.51 -2.78 0.04 0.00 -1.01 0.00 0.00 64.21 60.97 3h8k n SER 106 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h8k n ALA 107 N -4.43 -1.57 -1.93 -0.43 0.00 -1.15 -4.82 120.51 106.19 3h8k n ALA 107 Ca -0.25 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.69 3h8k n ALA 107 Cb 0.65 -1.76 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 3h8k n ALA 107 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3h8k s GLU 108 N -2.03 3.47 0.77 0.00 -6.30 -1.26 -4.99 118.70 108.37 3h8k s GLU 108 Ca 0.66 1.69 -0.03 0.00 -2.50 0.00 0.00 54.97 54.79 3h8k s GLU 108 Cb -0.43 -4.19 0.15 0.00 0.00 0.00 0.00 34.13 29.66 3h8k s GLU 108 CO 0.57 -1.70 1.06 1.03 0.02 0.00 0.00 175.26 176.25 3h8k s ARG 109 N 5.46 1.42 0.52 4.30 1.81 -1.26 -3.28 118.95 127.91 3h8k s ARG 109 Ca 0.82 -1.08 -0.22 0.00 -1.72 0.00 0.00 55.73 53.54 3h8k s ARG 109 Cb -0.26 -2.25 -0.06 0.00 -0.45 0.00 0.00 34.95 31.93 3h8k s ARG 109 CO 0.33 -1.67 1.27 -0.46 -0.68 0.00 0.00 175.30 174.09 3h8k s TRP 110 N -3.29 2.51 0.06 -0.53 -0.11 -0.41 -4.69 118.94 112.48 3h8k s TRP 110 Ca 0.69 1.45 -0.11 0.00 1.22 0.00 0.00 56.10 59.35 3h8k s TRP 110 Cb -0.04 -3.61 0.01 0.00 -1.50 0.00 0.00 33.47 28.32 3h8k s TRP 110 CO 0.46 -2.32 0.24 -1.54 -4.62 0.00 0.00 176.95 169.17 3h8k s SER 111 N -1.18 -0.01 0.02 5.86 1.04 -1.26 -4.51 113.70 113.66 3h8k s SER 111 Ca 0.69 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.75 3h8k s SER 111 Cb -0.35 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.16 3h8k s SER 111 CO 0.41 -0.64 1.00 -2.65 0.98 0.00 0.00 173.24 172.35 3h8k n PRO 112 N 0.41 0.01 0.13 4.02 -0.02 -1.25 -1.01 135.00 137.29 3h8k n PRO 112 Ca -0.18 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3h8k n PRO 112 Cb 0.60 -1.55 0.29 0.00 -0.02 0.00 0.00 33.50 32.82 3h8k n PRO 112 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3h8k h VAL 113 N 0.00 1.29 -3.55 -1.45 2.07 -1.95 -3.44 116.25 109.21 3h8k h VAL 113 Ca 0.00 -1.38 -0.43 0.00 0.82 0.00 0.00 66.70 65.71 3h8k h VAL 113 Cb 0.06 1.65 0.18 0.00 -1.52 0.00 0.00 31.29 31.67 3h8k h VAL 113 CO 0.00 0.41 0.10 -1.10 0.02 0.00 0.00 177.57 177.00 3h8k s GLN 114 N -4.20 -0.62 0.25 1.57 -1.52 -0.18 -5.08 119.66 109.88 3h8k s GLN 114 Ca -0.04 0.42 -0.16 0.00 -1.95 0.00 0.00 55.36 53.63 3h8k s GLN 114 Cb 0.14 -1.62 0.01 0.00 -0.22 0.00 0.00 33.01 31.31 3h8k s GLN 114 CO 0.75 -3.41 0.57 -1.54 -0.25 0.00 0.00 175.29 171.40 3h8k s SER 115 N -3.27 -0.17 0.15 5.90 1.04 -1.26 -5.00 113.70 111.09 3h8k s SER 115 Ca 0.68 -0.77 -0.16 0.00 0.48 0.00 0.00 55.95 56.17 3h8k s SER 115 Cb -0.18 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.59 3h8k s SER 115 CO 0.59 -1.20 1.80 0.58 0.98 0.00 0.00 173.24 175.99 3h8k h VAL 116 N 2.16 1.05 -0.74 5.02 2.07 -1.98 0.10 116.25 123.93 3h8k h VAL 116 Ca -0.24 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.24 3h8k h VAL 116 Cb 1.25 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 3h8k h VAL 116 CO 0.31 0.08 0.35 -0.08 0.02 0.00 0.00 177.57 178.26 3h8k h GLU 117 N 0.46 0.55 -0.39 1.57 4.81 -1.96 -0.45 114.58 119.17 3h8k h GLU 117 Ca 0.14 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.21 3h8k h GLU 117 Cb -0.01 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 3h8k h GLU 117 CO -0.06 0.36 -0.28 0.87 -0.73 0.00 0.00 179.01 179.17 3h8k h LYS 118 N 0.56 0.88 -0.28 1.92 1.57 -1.74 -0.31 116.57 119.17 3h8k h LYS 118 Ca 0.38 -0.42 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 3h8k h LYS 118 Cb 0.48 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 3h8k h LYS 118 CO -0.32 1.07 0.09 0.82 -0.57 0.00 0.00 179.45 180.54 3h8k h ILE 119 N 0.69 0.91 -0.43 1.86 2.04 -0.33 -0.79 117.51 121.45 3h8k h ILE 119 Ca 0.07 -0.07 -0.11 0.00 1.00 0.00 0.00 64.86 65.76 3h8k h ILE 119 Cb 0.86 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3h8k h ILE 119 CO 0.08 0.04 -0.17 -0.07 0.00 0.00 0.00 178.15 178.02 3h8k h LEU 120 N 0.21 0.82 -0.66 1.44 3.38 -0.93 -0.01 115.31 119.56 3h8k h LEU 120 Ca 0.13 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3h8k h LEU 120 Cb 0.11 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3h8k h LEU 120 CO -0.14 0.99 0.06 -0.07 0.09 0.00 0.00 178.44 179.37 3h8k h LEU 121 N 0.73 1.07 -0.89 1.67 3.38 -0.95 -0.36 115.31 119.96 3h8k h LEU 121 Ca 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3h8k h LEU 121 Cb 0.68 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3h8k h LEU 121 CO 0.05 1.08 0.39 -1.28 0.09 0.00 0.00 178.44 178.77 3h8k h SER 122 N 1.02 1.09 -0.51 -0.43 0.87 -0.69 -0.16 113.55 114.73 3h8k h SER 122 Ca 0.19 -0.13 -0.08 0.00 -1.23 0.00 0.00 61.79 60.54 3h8k h SER 122 Cb 0.49 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3h8k h SER 122 CO 0.02 0.92 -0.01 0.58 -0.53 0.00 0.00 176.83 177.81 3h8k h VAL 123 N 1.18 1.26 -0.62 2.23 2.07 -0.68 0.61 116.25 122.31 3h8k h VAL 123 Ca 0.28 -1.11 0.05 0.00 0.82 0.00 0.00 66.70 66.75 3h8k h VAL 123 Cb 0.12 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 3h8k h VAL 123 CO -0.04 0.39 0.34 0.58 0.02 0.00 0.00 177.57 178.87 3h8k h VAL 124 N 0.77 0.99 -0.77 2.57 2.07 -0.69 -1.19 116.25 120.00 3h8k h VAL 124 Ca 0.14 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3h8k h VAL 124 Cb 0.54 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 3h8k h VAL 124 CO 0.03 0.12 0.43 0.28 0.02 0.00 0.00 177.57 178.45 3h8k h SER 125 N 0.65 0.95 -0.96 0.57 0.02 -0.63 -2.37 113.55 111.78 3h8k h SER 125 Ca 0.27 -0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.20 3h8k h SER 125 Cb 0.14 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 62.37 3h8k h SER 125 CO -0.16 0.77 0.62 -0.03 -1.14 0.00 0.00 176.83 176.89 3h8k h MET 126 N 1.06 1.07 -0.20 3.45 -1.53 -0.04 0.34 114.93 119.08 3h8k h MET 126 Ca 0.27 -0.06 -0.03 0.00 -3.44 0.00 0.00 59.70 56.43 3h8k h MET 126 Cb 0.02 -0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 30.82 3h8k h MET 126 CO -0.04 0.71 -0.01 -0.07 0.14 0.00 0.00 176.91 177.63 3h8k h LEU 127 N 1.11 0.36 -1.05 3.39 3.38 -0.88 -2.57 115.31 119.05 3h8k h LEU 127 Ca 0.42 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3h8k h LEU 127 Cb 0.20 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3h8k h LEU 127 CO -0.17 0.60 -0.06 0.00 0.09 0.00 0.00 178.44 178.90 3h8k h ALA 128 N 0.77 1.21 -2.15 1.53 0.00 -0.85 -3.32 119.26 116.46 3h8k h ALA 128 Ca 0.06 -0.26 -0.59 0.00 0.00 0.00 0.00 54.91 54.12 3h8k h ALA 128 Cb 0.42 -0.16 -0.41 0.00 0.00 0.00 0.00 17.79 17.64 3h8k h ALA 128 CO 0.01 0.51 -0.72 0.39 0.00 0.00 0.00 179.25 179.45 3h8k n GLU 129 N -4.22 2.11 -1.51 0.00 1.02 0.11 -4.82 120.64 113.33 3h8k n GLU 129 Ca 0.01 -4.33 -0.22 0.00 -0.02 0.00 0.00 57.16 52.61 3h8k n GLU 129 Cb 0.30 -2.00 -0.19 0.00 -0.02 0.00 0.00 31.44 29.52 3h8k n GLU 129 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3h8k n PRO 130 N 0.94 0.11 -3.43 3.49 -0.02 -0.98 -4.69 135.00 130.43 3h8k n PRO 130 Ca 0.28 -0.15 -0.44 0.00 -2.02 0.00 0.00 63.50 61.18 3h8k n PRO 130 Cb 0.44 -1.54 -0.07 0.00 -0.02 0.00 0.00 33.50 32.31 3h8k n PRO 130 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3h8k s ASN 131 N 2.71 5.98 -0.90 2.55 2.47 -1.26 -5.00 114.94 121.49 3h8k s ASN 131 Ca 1.25 -1.73 -0.25 0.00 0.42 0.00 0.00 52.86 52.55 3h8k s ASN 131 Cb -0.75 -2.12 -0.07 0.00 -1.45 0.00 0.00 41.25 36.86 3h8k s ASN 131 CO 0.48 -0.74 2.04 -1.81 -3.72 0.00 0.00 177.10 173.34 3h8k s ASP 132 N 3.01 4.86 -0.01 -4.21 1.01 -1.26 -4.61 116.67 115.46 3h8k s ASP 132 Ca 0.04 -0.59 0.11 0.00 0.71 0.00 0.00 52.55 52.82 3h8k s ASP 132 Cb -0.27 -2.56 -0.15 0.00 1.01 0.00 0.00 42.92 40.95 3h8k s ASP 132 CO 0.02 -3.02 0.31 -1.84 0.21 0.00 0.00 175.17 170.86 3h8k n GLU 133 N 8.81 1.50 0.00 8.23 0.28 -1.26 -4.78 120.64 133.42 3h8k n GLU 133 Ca 0.42 -0.06 0.00 0.00 -0.16 0.00 0.00 57.16 57.35 3h8k n GLU 133 Cb 0.46 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 32.17 3h8k n GLU 133 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3h8k n SER 134 N -1.65 1.76 -2.82 -1.84 3.41 -1.26 -4.29 113.62 106.93 3h8k n SER 134 Ca -0.01 -0.11 -0.18 0.00 -0.26 0.00 0.00 58.87 58.32 3h8k n SER 134 Cb 0.24 0.57 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 3h8k n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h8k n GLY 135 N 1.10 -0.50 0.24 5.00 0.00 -1.25 -4.86 105.19 104.91 3h8k n GLY 135 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 3h8k n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h8k h ALA 136 N 0.99 0.75 -2.89 4.61 0.00 -1.15 -3.28 119.26 118.29 3h8k h ALA 136 Ca -0.38 -0.03 -0.72 0.00 0.00 0.00 0.00 54.91 53.79 3h8k h ALA 136 Cb 1.27 -0.21 -0.32 0.00 0.00 0.00 0.00 17.79 18.52 3h8k h ALA 136 CO 0.45 0.14 -0.41 1.21 0.00 0.00 0.00 179.25 180.64 3h8k s ASN 137 N -5.70 5.55 0.24 0.00 3.84 -0.81 -4.47 114.94 113.59 3h8k s ASN 137 Ca -0.13 -2.15 -0.05 0.00 0.21 0.00 0.00 52.86 50.74 3h8k s ASN 137 Cb 0.13 -1.94 0.35 0.00 -0.55 0.00 0.00 41.25 39.25 3h8k s ASN 137 CO 0.75 -0.59 1.83 -0.37 -2.79 0.00 0.00 177.10 175.94 3h8k h VAL 138 N 5.98 0.98 -0.45 -5.21 -1.51 -1.87 0.11 116.25 114.28 3h8k h VAL 138 Ca -0.14 -0.30 -0.00 0.00 -1.23 0.00 0.00 66.70 65.03 3h8k h VAL 138 Cb 1.04 0.03 -0.02 0.00 -2.13 0.00 0.00 31.29 30.21 3h8k h VAL 138 CO 0.78 0.16 0.27 0.44 -1.23 0.00 0.00 177.57 177.99 3h8k h ASP 139 N 0.88 0.55 -0.18 4.19 5.19 -1.93 0.40 116.42 125.53 3h8k h ASP 139 Ca 0.38 -0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 56.64 3h8k h ASP 139 Cb 0.25 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 3h8k h ASP 139 CO -0.20 0.45 -0.19 0.00 -3.12 0.00 0.00 179.24 176.18 3h8k h ALA 140 N 1.12 1.07 0.05 3.45 0.00 -1.72 -1.33 119.26 121.90 3h8k h ALA 140 Ca 0.16 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3h8k h ALA 140 Cb 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3h8k h ALA 140 CO -0.03 0.57 -0.02 0.77 0.00 0.00 0.00 179.25 180.53 3h8k h SER 141 N 0.54 -0.06 -0.72 0.00 0.02 -0.30 -1.34 113.55 111.69 3h8k h SER 141 Ca 0.09 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3h8k h SER 141 Cb 0.62 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 3h8k h SER 141 CO 0.04 0.05 0.38 0.11 -1.14 0.00 0.00 176.83 176.28 3h8k h LYS 142 N -0.16 1.01 -0.30 3.45 1.57 -0.81 -2.54 116.57 118.79 3h8k h LYS 142 Ca -0.01 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.51 3h8k h LYS 142 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 3h8k h LYS 142 CO 0.01 0.77 -0.38 1.98 -0.57 0.00 0.00 179.45 181.26 3h8k h MET 143 N 1.00 0.71 -0.14 3.15 4.05 -1.16 0.12 114.93 122.66 3h8k h MET 143 Ca 0.25 -0.36 -0.01 0.00 -0.28 0.00 0.00 59.70 59.31 3h8k h MET 143 Cb 0.06 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 3h8k h MET 143 CO -0.04 0.97 0.05 2.35 0.23 0.00 0.00 176.91 180.47 3h8k h TRP 144 N 0.58 0.19 0.14 1.39 2.91 -1.07 0.20 115.95 120.29 3h8k h TRP 144 Ca 0.05 -0.00 -0.31 0.00 1.13 0.00 0.00 58.89 59.76 3h8k h TRP 144 Cb 0.92 -0.06 -0.00 0.00 -0.51 0.00 0.00 29.16 29.50 3h8k h TRP 144 CO 0.05 0.16 -1.59 -0.09 -1.03 0.00 0.00 178.44 175.93 3h8k h ARG 145 N 0.20 0.29 0.00 2.65 2.43 -1.01 -3.38 114.38 115.56 3h8k h ARG 145 Ca 0.05 -0.50 -0.12 0.00 -0.81 0.00 0.00 59.98 58.61 3h8k h ARG 145 Cb 0.06 0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3h8k h ARG 145 CO -0.00 1.24 -2.06 -0.25 -1.51 0.00 0.00 179.97 177.39 3h8k n ASP 146 N -3.77 0.33 -3.03 -3.80 8.00 0.38 -4.72 116.55 109.95 3h8k n ASP 146 Ca -0.26 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.09 3h8k n ASP 146 Cb 0.97 1.61 0.01 0.00 -0.02 0.00 0.00 41.12 43.69 3h8k n ASP 146 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3h8k n ASP 147 N -2.38 -0.31 -0.23 -2.24 -0.08 0.66 -4.99 116.55 106.99 3h8k n ASP 147 Ca -0.13 -3.25 0.04 0.00 -1.51 0.00 0.00 54.79 49.94 3h8k n ASP 147 Cb 0.73 0.28 0.14 0.00 2.34 0.00 0.00 41.12 44.61 3h8k n ASP 147 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3h8k h ARG 148 N 3.02 0.15 -0.28 -0.67 9.65 -1.66 -1.05 114.38 123.54 3h8k h ARG 148 Ca 0.03 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.89 3h8k h ARG 148 Cb 1.01 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.55 3h8k h ARG 148 CO 0.37 0.10 0.11 0.93 2.80 0.00 0.00 179.97 184.28 3h8k h GLU 149 N 0.15 0.39 -0.16 0.20 4.39 -1.94 -0.26 114.58 117.36 3h8k h GLU 149 Ca 0.38 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.85 3h8k h GLU 149 Cb 0.65 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3h8k h GLU 149 CO -0.57 0.33 -0.66 0.37 -1.16 0.00 0.00 179.01 177.32 3h8k h GLN 150 N 0.40 0.60 -0.94 2.33 4.15 -1.58 -2.88 115.11 117.20 3h8k h GLN 150 Ca 0.10 -0.44 0.07 0.00 0.77 0.00 0.00 58.65 59.15 3h8k h GLN 150 Cb 0.08 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 27.78 3h8k h GLN 150 CO -0.01 1.06 0.59 0.35 -1.93 0.00 0.00 178.83 178.89 3h8k h PHE 151 N 0.44 1.09 -0.59 3.99 3.04 -0.27 -0.37 116.94 124.27 3h8k h PHE 151 Ca -0.02 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.90 3h8k h PHE 151 Cb 1.24 -0.35 -0.03 0.00 2.56 0.00 0.00 35.95 39.37 3h8k h PHE 151 CO 0.06 0.54 0.14 1.88 -2.02 0.00 0.00 178.31 178.90 3h8k h TYR 152 N 1.06 0.96 0.11 0.41 0.05 -1.16 -0.58 116.97 117.82 3h8k h TYR 152 Ca 0.42 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 59.09 3h8k h TYR 152 Cb 0.21 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 37.68 3h8k h TYR 152 CO -0.02 0.80 -0.05 0.87 -1.05 0.00 0.00 178.16 178.71 3h8k h LYS 153 N 0.89 -0.15 -0.82 4.88 1.79 -0.91 -2.29 116.57 119.96 3h8k h LYS 153 Ca 0.19 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.71 3h8k h LYS 153 Cb 0.33 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 30.97 3h8k h LYS 153 CO 0.00 -0.04 0.54 0.82 -1.08 0.00 0.00 179.45 179.69 3h8k h ILE 154 N -0.21 1.11 -0.56 1.86 1.08 -0.92 -2.72 117.51 117.14 3h8k h ILE 154 Ca -0.02 -0.34 -0.06 0.00 -0.39 0.00 0.00 64.86 64.06 3h8k h ILE 154 Cb 0.17 0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 33.93 3h8k h ILE 154 CO 0.03 0.18 0.13 0.00 -0.69 0.00 0.00 178.15 177.79 3h8k h ALA 155 N 1.53 0.74 -0.54 1.87 0.00 -0.81 -0.30 119.26 121.76 3h8k h ALA 155 Ca 0.34 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3h8k h ALA 155 Cb 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3h8k h ALA 155 CO -0.11 0.45 0.14 -0.22 0.00 0.00 0.00 179.25 179.52 3h8k h LYS 156 N 0.81 0.81 -0.75 0.00 3.64 -1.16 -0.07 116.57 119.86 3h8k h LYS 156 Ca 0.18 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3h8k h LYS 156 Cb 0.36 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 3h8k h LYS 156 CO 0.00 0.72 0.46 1.96 -2.27 0.00 0.00 179.45 180.32 3h8k h GLN 157 N 0.79 1.02 -0.67 1.90 4.20 -1.12 0.43 115.11 121.65 3h8k h GLN 157 Ca 0.18 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 3h8k h GLN 157 Cb 0.27 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3h8k h GLN 157 CO -0.00 0.71 0.34 0.82 -0.67 0.00 0.00 178.83 180.03 3h8k h ILE 158 N 1.03 1.22 0.25 2.54 1.08 -0.17 -0.36 117.51 123.10 3h8k h ILE 158 Ca 0.27 -0.60 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 3h8k h ILE 158 Cb -0.05 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.07 3h8k h ILE 158 CO -0.05 0.25 -0.23 0.58 -0.69 0.00 0.00 178.15 178.01 3h8k h VAL 159 N 0.92 0.51 -0.69 1.67 2.07 -0.72 -2.09 116.25 117.92 3h8k h VAL 159 Ca 0.23 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.83 3h8k h VAL 159 Cb 0.09 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 3h8k h VAL 159 CO -0.03 0.00 0.37 1.56 0.02 0.00 0.00 177.57 179.49 3h8k h GLN 160 N -0.50 0.64 -0.66 1.57 4.20 -0.57 -1.65 115.11 118.14 3h8k h GLN 160 Ca -0.01 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.68 3h8k h GLN 160 Cb 0.46 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 3h8k h GLN 160 CO -0.03 0.42 0.43 0.87 -0.67 0.00 0.00 178.83 179.85 3h8k h LYS 161 N 0.66 0.84 0.00 1.46 1.57 -0.98 -1.52 116.57 118.59 3h8k h LYS 161 Ca 0.32 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3h8k h LYS 161 Cb 0.26 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3h8k h LYS 161 CO -0.22 0.56 -0.10 0.66 -0.57 0.00 0.00 179.45 179.78 3h8k h SER 162 N 0.87 0.00 0.25 0.86 4.64 -0.60 -1.01 113.55 118.54 3h8k h SER 162 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3h8k h SER 162 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3h8k h SER 162 CO -0.07 0.10 -0.39 0.18 -0.87 0.00 0.00 176.83 175.78 3h8k n LEU 163 N -3.48 1.04 -0.04 5.97 4.77 -0.85 -4.62 117.00 119.79 3h8k n LEU 163 Ca -0.01 -0.29 -0.01 0.00 -0.03 0.00 0.00 56.01 55.67 3h8k n LEU 163 Cb 0.25 -0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3h8k n LEU 163 CO 0.29 0.21 -0.01 0.61 -1.33 0.00 0.00 177.39 177.16 3h8k n GLY 164 N 1.40 0.43 0.38 -0.72 0.00 -0.39 -5.09 105.19 101.20 3h8k n GLY 164 Ca 0.10 -0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.17 3h8k n GLY 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36