#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s64 n ASP 19 N 0.00 2.00 -4.51 -1.43 3.85 -1.26 -4.98 116.55 110.22 1s64 n ASP 19 Ca 0.00 -1.77 -0.42 0.00 -0.71 0.00 0.00 54.79 51.88 1s64 n ASP 19 Cb 0.00 0.04 -0.03 0.00 -1.35 0.00 0.00 41.12 39.78 1s64 n ASP 19 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 1s64 s PHE 20 N -1.29 2.54 -1.07 2.11 5.36 -1.26 -4.94 117.98 119.43 1s64 s PHE 20 Ca 0.07 -0.19 -0.07 0.00 -0.96 0.00 0.00 56.93 55.78 1s64 s PHE 20 Cb -0.01 -4.40 -0.06 0.00 -0.34 0.00 0.00 43.02 38.21 1s64 s PHE 20 CO 0.05 -1.75 2.28 1.28 -1.46 0.00 0.00 175.22 175.61 1s64 n LEU 21 N 8.35 5.74 -0.29 6.12 4.32 -1.26 -4.78 117.00 135.20 1s64 n LEU 21 Ca 0.01 -3.23 -0.00 0.00 -0.02 0.00 0.00 56.01 52.77 1s64 n LEU 21 Cb 0.47 -1.20 0.06 0.00 -1.62 0.00 0.00 43.42 41.13 1s64 n LEU 21 CO 0.67 0.89 0.65 -0.09 -1.22 0.00 0.00 177.39 178.29 1s64 h ARG 22 N 6.11 -0.04 0.04 3.23 2.43 -1.97 -2.29 114.38 121.88 1s64 h ARG 22 Ca 0.57 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.76 1s64 h ARG 22 Cb 0.22 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 1s64 h ARG 22 CO 1.55 -0.03 -0.10 -0.44 -1.51 0.00 0.00 179.97 179.44 1s64 h ASP 23 N -0.04 -0.28 -0.89 -3.80 3.32 -2.00 -1.98 116.42 110.75 1s64 h ASP 23 Ca 0.35 0.04 0.17 0.00 0.02 0.00 0.00 57.03 57.60 1s64 h ASP 23 Cb 0.60 0.11 -0.07 0.00 0.22 0.00 0.00 39.33 40.19 1s64 h ASP 23 CO -0.85 -0.15 0.58 0.03 -1.72 0.00 0.00 179.24 177.13 1s64 h ARG 24 N -0.19 0.56 -0.03 3.56 3.08 -1.83 0.51 114.38 120.03 1s64 h ARG 24 Ca 0.02 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 1s64 h ARG 24 Cb 0.22 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1s64 h ARG 24 CO -0.07 0.37 -0.65 0.45 -1.07 0.00 0.00 179.97 179.00 1s64 h HIS 25 N 0.58 0.19 -0.42 3.04 3.86 -1.07 -0.68 115.15 120.65 1s64 h HIS 25 Ca 0.46 -0.08 -0.08 0.00 -1.16 0.00 0.00 60.37 59.51 1s64 h HIS 25 Cb 0.89 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1s64 h HIS 25 CO -0.00 0.75 -0.04 0.28 0.86 0.00 0.00 177.93 179.78 1s64 h VAL 26 N 0.10 1.27 -0.42 2.45 2.07 -0.20 -1.42 116.25 120.10 1s64 h VAL 26 Ca -0.01 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 1s64 h VAL 26 Cb 1.16 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1s64 h VAL 26 CO 0.09 0.37 0.07 0.03 0.02 0.00 0.00 177.57 178.16 1s64 h ARG 27 N 0.60 0.69 -0.49 1.57 3.08 -1.18 -1.74 114.38 116.91 1s64 h ARG 27 Ca 0.11 -0.18 0.09 0.00 0.07 0.00 0.00 59.98 60.07 1s64 h ARG 27 Cb 0.54 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.43 1s64 h ARG 27 CO 0.03 0.73 0.03 0.35 -1.07 0.00 0.00 179.97 180.03 1s64 h PHE 28 N 0.55 0.02 -0.24 3.04 3.57 -0.89 -0.21 116.94 122.78 1s64 h PHE 28 Ca 0.13 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 1s64 h PHE 28 Cb 0.37 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1s64 h PHE 28 CO 0.02 -0.08 -0.21 0.74 -2.23 0.00 0.00 178.31 176.55 1s64 h PHE 29 N 0.14 0.47 -0.43 0.41 0.05 -1.07 -2.45 116.94 114.05 1s64 h PHE 29 Ca 0.24 -0.09 -0.03 0.00 3.82 0.00 0.00 57.97 61.92 1s64 h PHE 29 Cb 0.36 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 38.17 1s64 h PHE 29 CO -0.28 0.61 0.17 1.96 -0.18 0.00 0.00 178.31 180.59 1s64 h GLN 30 N 0.38 0.65 -0.77 1.51 4.20 -0.25 -2.46 115.11 118.37 1s64 h GLN 30 Ca 0.06 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.68 1s64 h GLN 30 Cb 0.59 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.22 1s64 h GLN 30 CO 0.04 0.60 0.51 0.00 -0.67 0.00 0.00 178.83 179.31 1s64 h ARG 31 N 0.55 0.96 -0.33 1.46 3.08 -0.86 -1.81 114.38 117.43 1s64 h ARG 31 Ca 0.14 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1s64 h ARG 31 Cb 0.20 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1s64 h ARG 31 CO -0.01 0.63 0.17 0.00 -1.07 0.00 0.00 179.97 179.69 1s64 n LEU 33 N -4.43 0.14 0.00 0.00 7.99 -0.70 -4.77 117.00 115.24 1s64 n LEU 33 Ca 0.02 0.31 0.00 0.00 -0.01 0.00 0.00 56.01 56.33 1s64 n LEU 33 Cb 0.11 -0.37 0.00 0.00 -0.11 0.00 0.00 43.42 43.05 1s64 n LEU 33 CO 0.36 0.03 0.00 0.00 -1.51 0.00 0.00 177.39 176.27 1s64 n GLN 34 N -1.38 0.00 -4.94 3.23 6.02 -0.67 -5.07 117.38 114.57 1s64 n GLN 34 Ca 0.09 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.81 1s64 n GLN 34 Cb 0.31 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.41 1s64 n GLN 34 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1s64 s VAL 35 N 1.20 1.59 0.07 5.09 1.01 -1.25 -5.12 120.40 122.99 1s64 s VAL 35 Ca 0.00 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.25 1s64 s VAL 35 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1s64 s VAL 35 CO 0.00 0.45 -0.15 -0.76 0.00 0.00 0.00 175.10 174.65 1s64 s LEU 36 N 0.04 2.81 0.78 3.92 1.43 -1.26 -4.98 118.68 121.42 1s64 s LEU 36 Ca -0.05 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 1s64 s LEU 36 Cb -0.13 -1.64 0.06 0.00 0.03 0.00 0.00 46.19 44.52 1s64 s LEU 36 CO 0.03 0.22 1.14 -2.84 0.23 0.00 0.00 176.35 175.13 1s64 s PRO 37 N -1.80 2.01 0.19 1.29 0.02 -1.26 -4.87 135.00 130.58 1s64 s PRO 37 Ca 0.17 1.47 0.13 0.00 0.02 0.00 0.00 61.00 62.79 1s64 s PRO 37 Cb -0.11 -1.85 0.69 0.00 0.02 0.00 0.00 34.50 33.26 1s64 s PRO 37 CO 0.09 -1.87 1.39 -1.91 -0.33 0.00 0.00 177.00 174.36 1s64 n GLU 38 N -3.28 0.08 0.00 5.54 2.13 -1.26 -1.50 120.64 122.36 1s64 n GLU 38 Ca 0.11 0.58 0.03 0.00 0.66 0.00 0.00 57.16 58.55 1s64 n GLU 38 Cb 0.52 -1.77 0.16 0.00 0.27 0.00 0.00 31.44 30.61 1s64 n GLU 38 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1s64 n ARG 39 N -1.95 0.01 -0.67 5.31 5.12 -1.26 -1.83 116.66 121.39 1s64 n ARG 39 Ca -0.01 0.36 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 1s64 n ARG 39 Cb 0.02 -1.50 0.22 0.00 -1.16 0.00 0.00 32.46 30.04 1s64 n ARG 39 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1s64 n TYR 40 N -1.48 1.09 0.02 -1.55 4.02 -0.56 -4.71 117.16 113.98 1s64 n TYR 40 Ca 0.02 -1.33 0.09 0.00 -0.01 0.00 0.00 57.90 56.67 1s64 n TYR 40 Cb 0.08 -0.44 0.51 0.00 -0.02 0.00 0.00 39.34 39.48 1s64 n TYR 40 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1s64 h SER 41 N 1.27 0.31 0.13 7.72 4.64 -1.57 -1.98 113.55 124.07 1s64 h SER 41 Ca 0.15 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1s64 h SER 41 Cb 1.62 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 1s64 h SER 41 CO 0.35 0.21 0.00 -1.54 -0.87 0.00 0.00 176.83 174.98 1s64 n SER 42 N -4.48 0.00 -0.47 4.97 3.41 -1.26 -1.55 113.62 114.24 1s64 n SER 42 Ca 0.05 0.03 0.12 0.00 -0.26 0.00 0.00 58.87 58.81 1s64 n SER 42 Cb 0.22 -0.21 0.16 0.00 -0.26 0.00 0.00 64.21 64.12 1s64 n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1s64 n LEU 43 N -1.21 1.81 -0.14 1.04 4.77 -0.74 -4.60 117.00 117.92 1s64 n LEU 43 Ca 0.05 -0.62 -0.08 0.00 -0.03 0.00 0.00 56.01 55.33 1s64 n LEU 43 Cb 0.06 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 1s64 n LEU 43 CO 0.07 0.33 0.61 -0.08 -1.33 0.00 0.00 177.39 176.99 1s64 h GLU 44 N 2.33 -0.25 0.00 3.23 4.57 -1.45 -0.67 114.58 122.34 1s64 h GLU 44 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1s64 h GLU 44 Cb 0.69 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1s64 h GLU 44 CO 0.00 -0.17 0.00 0.25 -1.18 0.00 0.00 179.01 177.91 1s64 n THR 45 N -5.42 0.00 -2.71 0.32 -2.24 -1.26 -3.12 114.28 99.85 1s64 n THR 45 Ca 0.01 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.76 1s64 n THR 45 Cb 0.35 -0.53 0.05 0.00 -2.10 0.00 0.00 70.33 68.09 1s64 n THR 45 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s64 n SER 46 N -0.90 2.01 0.12 3.42 3.41 -0.32 -4.01 113.62 117.35 1s64 n SER 46 Ca 0.14 -2.27 -0.02 0.00 -0.26 0.00 0.00 58.87 56.46 1s64 n SER 46 Cb 0.06 -0.45 0.19 0.00 -0.26 0.00 0.00 64.21 63.75 1s64 n SER 46 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1s64 h ARG 47 N 2.48 0.13 -0.42 4.33 3.08 -1.17 -3.02 114.38 119.79 1s64 h ARG 47 Ca -0.07 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1s64 h ARG 47 Cb 1.33 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.37 1s64 h ARG 47 CO 0.26 0.63 0.16 1.25 -1.07 0.00 0.00 179.97 181.19 1s64 h LEU 48 N 0.10 0.54 -0.44 3.04 5.85 -1.57 -0.38 115.31 122.45 1s64 h LEU 48 Ca -0.00 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 1s64 h LEU 48 Cb 0.97 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1s64 h LEU 48 CO 0.08 0.50 -0.40 0.71 -0.34 0.00 0.00 178.44 178.99 1s64 h THR 49 N 0.59 0.77 -0.13 1.05 1.35 -1.83 -1.41 112.91 113.31 1s64 h THR 49 Ca 0.14 -1.79 -0.19 0.00 -0.55 0.00 0.00 66.41 64.02 1s64 h THR 49 Cb 0.14 2.16 -0.00 0.00 -1.73 0.00 0.00 68.15 68.72 1s64 h THR 49 CO -0.01 0.39 -0.69 0.40 -0.25 0.00 0.00 175.52 175.36 1s64 h ILE 50 N 0.00 1.33 -0.65 6.82 1.08 -1.26 -1.85 117.51 122.99 1s64 h ILE 50 Ca -0.00 -1.99 -0.04 0.00 -0.39 0.00 0.00 64.86 62.43 1s64 h ILE 50 Cb 1.13 1.97 -0.03 0.00 -3.07 0.00 0.00 36.82 36.82 1s64 h ILE 50 CO 0.05 0.61 0.25 0.00 -0.69 0.00 0.00 178.15 178.38 1s64 h ALA 51 N 0.84 0.84 -0.19 1.87 0.00 -0.86 -1.98 119.26 119.78 1s64 h ALA 51 Ca -0.02 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1s64 h ALA 51 Cb 1.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1s64 h ALA 51 CO 0.13 0.47 0.10 0.35 0.00 0.00 0.00 179.25 180.30 1s64 h PHE 52 N 0.92 0.20 -0.89 0.00 3.57 -1.06 0.39 116.94 120.05 1s64 h PHE 52 Ca 0.22 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.74 1s64 h PHE 52 Cb 0.22 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 1s64 h PHE 52 CO 0.01 0.12 0.59 0.74 -2.23 0.00 0.00 178.31 177.54 1s64 h PHE 53 N 0.22 1.11 -0.03 0.41 0.05 -1.12 0.77 116.94 118.35 1s64 h PHE 53 Ca 0.08 0.03 -0.14 0.00 3.82 0.00 0.00 57.97 61.76 1s64 h PHE 53 Cb 0.00 -0.37 0.01 0.00 2.00 0.00 0.00 35.95 37.59 1s64 h PHE 53 CO -0.08 0.68 -0.51 0.00 -0.18 0.00 0.00 178.31 178.21 1s64 h ALA 54 N 1.46 0.10 0.15 2.45 0.00 -0.89 -1.31 119.26 121.22 1s64 h ALA 54 Ca 0.34 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1s64 h ALA 54 Cb -0.09 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1s64 h ALA 54 CO -0.08 0.31 -0.07 -0.07 0.00 0.00 0.00 179.25 179.33 1s64 h LEU 55 N -0.10 -0.17 -1.71 0.00 3.38 -0.14 -0.86 115.31 115.71 1s64 h LEU 55 Ca -0.06 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 1s64 h LEU 55 Cb 1.20 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 1s64 h LEU 55 CO 0.10 0.32 -0.05 -1.28 0.09 0.00 0.00 178.44 177.62 1s64 h SER 56 N -0.72 0.11 -0.11 -0.43 0.87 -0.99 0.17 113.55 112.45 1s64 h SER 56 Ca -0.02 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.37 1s64 h SER 56 Cb 0.51 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1s64 h SER 56 CO 0.03 0.18 -0.50 1.23 -0.53 0.00 0.00 176.83 177.24 1s64 h GLY 57 N 0.40 0.75 1.32 5.77 0.00 -1.18 -0.50 103.07 109.63 1s64 h GLY 57 Ca 0.03 -0.84 -0.19 0.00 0.00 0.00 0.00 47.33 46.34 1s64 h GLY 57 CO 0.01 0.75 -0.63 1.41 0.00 0.00 0.00 176.54 178.08 1s64 h LEU 58 N 0.54 0.79 -0.55 3.11 3.38 -0.06 -2.49 115.31 120.03 1s64 h LEU 58 Ca 0.02 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 1s64 h LEU 58 Cb 1.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1s64 h LEU 58 CO 0.10 1.22 0.31 -0.78 0.09 0.00 0.00 178.44 179.39 1s64 h ASP 59 N 0.51 0.68 0.14 -0.43 -0.00 -0.58 0.17 116.42 116.91 1s64 h ASP 59 Ca -0.01 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.03 56.92 1s64 h ASP 59 Cb 1.21 -0.17 -0.00 0.00 -0.00 0.00 0.00 39.33 40.37 1s64 h ASP 59 CO 0.13 0.56 -0.09 -0.03 -0.00 0.00 0.00 179.24 179.82 1s64 h MET 60 N 0.74 0.00 -0.46 0.28 4.05 -0.98 0.50 114.93 119.06 1s64 h MET 60 Ca 0.20 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1s64 h MET 60 Cb 0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 1s64 h MET 60 CO -0.03 0.09 0.00 1.28 0.23 0.00 0.00 176.91 178.47 1s64 n LEU 61 N -4.09 3.51 -3.54 3.39 4.77 -0.58 -1.60 117.00 118.87 1s64 n LEU 61 Ca -0.03 -1.57 -0.26 0.00 -0.03 0.00 0.00 56.01 54.12 1s64 n LEU 61 Cb 0.17 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1s64 n LEU 61 CO 0.32 0.79 -0.04 -0.67 -1.33 0.00 0.00 177.39 176.46 1s64 n ASP 62 N 1.49 -5.80 -1.41 -1.43 2.03 0.37 -4.94 116.55 106.87 1s64 n ASP 62 Ca 0.20 -0.91 0.03 0.00 0.52 0.00 0.00 54.79 54.63 1s64 n ASP 62 Cb 0.60 -3.98 0.01 0.00 -0.72 0.00 0.00 41.12 37.03 1s64 n ASP 62 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1s64 n SER 63 N -2.84 0.77 0.00 1.67 7.64 0.14 -4.87 113.62 116.13 1s64 n SER 63 Ca -0.08 -2.00 0.06 0.00 1.01 0.00 0.00 58.87 57.86 1s64 n SER 63 Cb 0.60 -0.24 0.27 0.00 -1.01 0.00 0.00 64.21 63.83 1s64 n SER 63 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1s64 n LEU 64 N 0.43 0.00 0.22 -3.43 4.77 -1.26 -2.50 117.00 115.23 1s64 n LEU 64 Ca 0.03 0.42 0.10 0.00 -0.03 0.00 0.00 56.01 56.52 1s64 n LEU 64 Cb 1.09 -0.42 0.45 0.00 -2.33 0.00 0.00 43.42 42.21 1s64 n LEU 64 CO -0.05 -0.25 0.79 -2.24 -1.33 0.00 0.00 177.39 174.31 1s64 h ASP 65 N 0.00 0.00 0.00 -1.43 2.03 -1.95 -3.10 116.42 111.97 1s64 h ASP 65 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1s64 h ASP 65 Cb 0.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1s64 h ASP 65 CO 0.00 0.23 0.00 1.33 -1.03 0.00 0.00 179.24 179.77 1s64 n VAL 66 N -3.38 0.00 -4.06 4.15 0.24 -1.04 -4.76 118.33 109.48 1s64 n VAL 66 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1s64 n VAL 66 Cb 0.44 -0.13 -0.11 0.00 -1.47 0.00 0.00 33.84 32.56 1s64 n VAL 66 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1s64 s VAL 67 N -1.88 0.47 -0.95 3.34 -7.23 -1.17 -5.08 120.40 107.91 1s64 s VAL 67 Ca 0.00 -1.12 -0.22 0.00 -1.81 0.00 0.00 61.98 58.82 1s64 s VAL 67 Cb 0.00 -0.64 0.07 0.00 0.56 0.00 0.00 36.38 36.37 1s64 s VAL 67 CO 0.00 -0.45 1.31 0.21 -0.31 0.00 0.00 175.10 175.86 1s64 s ASN 68 N -1.69 6.49 0.38 4.85 3.84 -1.26 -4.84 114.94 122.70 1s64 s ASN 68 Ca -0.09 -1.51 0.16 0.00 0.21 0.00 0.00 52.86 51.63 1s64 s ASN 68 Cb -0.09 -2.51 1.04 0.00 -0.55 0.00 0.00 41.25 39.15 1s64 s ASN 68 CO -0.00 -1.40 1.77 0.11 -2.79 0.00 0.00 177.10 174.78 1s64 h LYS 69 N 9.52 0.44 -0.36 0.43 1.57 -1.93 -1.85 116.57 124.39 1s64 h LYS 69 Ca 0.11 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1s64 h LYS 69 Cb 1.02 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1s64 h LYS 69 CO 1.31 0.29 -0.05 -0.44 -0.57 0.00 0.00 179.45 179.99 1s64 h ASP 70 N 0.45 0.67 -0.13 0.86 3.32 -1.92 -1.53 116.42 118.13 1s64 h ASP 70 Ca 0.60 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1s64 h ASP 70 Cb 1.41 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1s64 h ASP 70 CO -0.33 0.85 0.04 0.44 -1.72 0.00 0.00 179.24 178.52 1s64 h ASP 71 N 0.47 0.20 -0.66 6.45 3.32 -1.76 -2.79 116.42 121.66 1s64 h ASP 71 Ca 0.10 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1s64 h ASP 71 Cb 0.54 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1s64 h ASP 71 CO 0.03 0.36 0.34 0.40 -1.72 0.00 0.00 179.24 178.64 1s64 h ILE 72 N 0.03 1.21 -0.72 0.35 2.04 -1.46 -1.85 117.51 117.12 1s64 h ILE 72 Ca 0.04 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 1s64 h ILE 72 Cb 0.23 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1s64 h ILE 72 CO -0.00 0.25 0.35 0.40 0.00 0.00 0.00 178.15 179.14 1s64 h ILE 73 N 0.95 1.23 -0.41 -0.67 2.04 -1.16 -0.59 117.51 118.91 1s64 h ILE 73 Ca 0.24 -0.64 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 1s64 h ILE 73 Cb 0.07 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1s64 h ILE 73 CO -0.03 0.27 -0.16 -0.33 0.00 0.00 0.00 178.15 177.90 1s64 h GLU 74 N 1.02 0.83 -0.34 2.37 4.39 -1.15 -1.60 114.58 120.10 1s64 h GLU 74 Ca 0.25 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.61 1s64 h GLU 74 Cb 0.10 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1s64 h GLU 74 CO -0.03 0.97 0.22 2.35 -1.16 0.00 0.00 179.01 181.36 1s64 h TRP 75 N 0.64 0.42 -0.44 4.33 7.01 -0.90 -1.21 115.95 125.80 1s64 h TRP 75 Ca 0.10 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.11 1s64 h TRP 75 Cb 0.70 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.60 1s64 h TRP 75 CO 0.05 0.26 0.28 0.82 -2.79 0.00 0.00 178.44 177.06 1s64 h ILE 76 N 0.45 1.12 0.00 2.65 2.04 -1.01 -1.83 117.51 120.93 1s64 h ILE 76 Ca 0.13 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1s64 h ILE 76 Cb -0.04 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1s64 h ILE 76 CO -0.04 0.12 -0.04 1.88 0.00 0.00 0.00 178.15 180.08 1s64 h TYR 77 N 0.59 0.00 0.00 1.37 0.05 -0.88 0.09 116.97 118.19 1s64 h TYR 77 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1s64 h TYR 77 Cb -0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.70 1s64 h TYR 77 CO -0.04 0.04 0.00 -1.13 -1.05 0.00 0.00 178.16 175.98 1s64 n SER 78 N -3.26 0.32 -0.33 3.88 3.41 -0.49 -2.63 113.62 114.52 1s64 n SER 78 Ca -0.01 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.27 1s64 n SER 78 Cb 0.20 -0.63 0.24 0.00 -0.26 0.00 0.00 64.21 63.76 1s64 n SER 78 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1s64 n LEU 79 N -1.83 1.37 -4.71 1.04 4.77 0.02 -4.64 117.00 113.03 1s64 n LEU 79 Ca 0.05 -0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 55.17 1s64 n LEU 79 Cb 0.28 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1s64 n LEU 79 CO 0.22 0.26 0.76 -1.58 -1.33 0.00 0.00 177.39 175.72 1s64 s GLN 80 N -2.50 4.50 -0.59 3.23 0.74 -1.08 0.11 119.66 124.08 1s64 s GLN 80 Ca 0.22 1.52 -0.23 0.00 0.05 0.00 0.00 55.36 56.92 1s64 s GLN 80 Cb 0.19 -3.45 0.05 0.00 1.10 0.00 0.00 33.01 30.90 1s64 s GLN 80 CO 0.54 -0.16 0.91 0.08 -0.55 0.00 0.00 175.29 176.11 1s64 s VAL 81 N 1.23 4.42 0.34 1.34 1.01 0.67 -4.90 120.40 124.52 1s64 s VAL 81 Ca 0.53 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 1s64 s VAL 81 Cb -0.23 -4.56 -0.05 0.00 0.00 0.00 0.00 36.38 31.53 1s64 s VAL 81 CO 0.27 -1.20 0.63 -0.76 0.00 0.00 0.00 175.10 174.03 1s64 s LEU 82 N 3.84 3.95 0.42 3.92 1.43 -1.26 -3.10 118.68 127.88 1s64 s LEU 82 Ca 0.26 0.82 -0.25 0.00 -1.03 0.00 0.00 54.13 53.93 1s64 s LEU 82 Cb -0.15 -3.67 -0.08 0.00 0.03 0.00 0.00 46.19 42.32 1s64 s LEU 82 CO 0.15 -0.30 1.18 -2.16 0.23 0.00 0.00 176.35 175.45 1s64 s PRO 83 N -3.82 3.96 0.92 1.29 0.04 -1.26 -4.46 135.00 131.66 1s64 s PRO 83 Ca 0.46 1.85 -0.12 0.00 0.04 0.00 0.00 61.00 63.22 1s64 s PRO 83 Cb -0.10 -2.60 0.14 0.00 0.04 0.00 0.00 34.50 31.97 1s64 s PRO 83 CO 0.32 -0.40 1.12 0.95 0.04 0.00 0.00 177.00 179.03 1s64 s THR 84 N -1.44 2.20 0.21 1.26 -4.23 -1.26 -3.19 115.64 109.18 1s64 s THR 84 Ca 0.59 0.06 -0.15 0.00 -1.18 0.00 0.00 61.69 61.01 1s64 s THR 84 Cb -0.31 -2.74 0.21 0.00 1.34 0.00 0.00 72.50 71.01 1s64 s THR 84 CO 0.38 -0.08 1.62 1.05 -0.54 0.00 0.00 174.62 177.04 1s64 h GLU 85 N -1.55 -0.04 0.00 3.99 9.09 -1.96 0.37 114.58 124.49 1s64 h GLU 85 Ca -0.51 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.90 1s64 h GLU 85 Cb 1.32 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 1s64 h GLU 85 CO 0.60 -0.03 0.00 -0.40 0.05 0.00 0.00 179.01 179.23 1s64 n ASP 86 N -5.44 0.00 -4.35 3.06 3.85 -1.26 -4.90 116.55 107.51 1s64 n ASP 86 Ca 0.07 -1.74 -0.37 0.00 -0.71 0.00 0.00 54.79 52.03 1s64 n ASP 86 Cb 0.34 0.00 -0.06 0.00 -1.35 0.00 0.00 41.12 40.05 1s64 n ASP 86 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1s64 n ARG 87 N -0.63 -1.88 -0.34 0.11 1.74 0.13 -4.83 116.66 110.97 1s64 n ARG 87 Ca 0.06 0.24 0.10 0.00 -0.77 0.00 0.00 57.85 57.48 1s64 n ARG 87 Cb 0.03 -4.69 0.28 0.00 -1.02 0.00 0.00 32.46 27.06 1s64 n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1s64 n SER 88 N -2.64 3.44 -0.87 0.55 3.41 -1.26 -4.20 113.62 112.05 1s64 n SER 88 Ca 0.00 -2.03 0.05 0.00 -0.26 0.00 0.00 58.87 56.63 1s64 n SER 88 Cb 0.52 -0.43 0.12 0.00 -0.26 0.00 0.00 64.21 64.16 1s64 n SER 88 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1s64 n ASN 89 N 1.31 1.38 -0.29 4.04 6.94 -1.26 -4.84 115.26 122.54 1s64 n ASN 89 Ca 0.21 -2.99 -0.01 0.00 -0.02 0.00 0.00 54.58 51.77 1s64 n ASN 89 Cb 0.55 -0.41 0.11 0.00 -2.36 0.00 0.00 39.78 37.67 1s64 n ASN 89 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1s64 h LEU 90 N 0.83 0.79 0.00 -4.53 3.38 -1.95 -1.50 115.31 112.34 1s64 h LEU 90 Ca -0.08 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1s64 h LEU 90 Cb 1.36 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1s64 h LEU 90 CO 0.04 0.53 0.00 0.47 0.09 0.00 0.00 178.44 179.57 1s64 n ASP 91 N -4.63 0.00 -0.00 -0.43 9.92 -1.26 -2.00 116.55 118.14 1s64 n ASP 91 Ca 0.10 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.56 1s64 n ASP 91 Cb 0.13 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 1s64 n ASP 91 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1s64 n ARG 92 N -1.22 2.72 -2.15 -1.24 1.74 -0.57 -4.62 116.66 111.32 1s64 n ARG 92 Ca 0.01 -1.47 -0.31 0.00 -0.77 0.00 0.00 57.85 55.32 1s64 n ARG 92 Cb 0.01 -0.98 -0.00 0.00 -1.02 0.00 0.00 32.46 30.47 1s64 n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s64 n GLY 94 N -2.34 0.04 3.22 0.00 0.00 -1.18 -4.42 105.19 100.51 1s64 n GLY 94 Ca 0.05 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.99 1s64 n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s64 s PHE 95 N -3.55 1.49 0.39 1.61 0.40 -1.26 -0.24 117.98 116.82 1s64 s PHE 95 Ca 0.00 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 55.88 1s64 s PHE 95 Cb 0.00 -0.83 -0.03 0.00 0.51 0.00 0.00 43.02 42.67 1s64 s PHE 95 CO 0.00 0.12 0.63 1.03 0.70 0.00 0.00 175.22 177.70 1s64 s ARG 96 N -1.77 3.48 0.31 0.44 0.52 0.12 -0.96 118.95 121.08 1s64 s ARG 96 Ca 0.02 -0.18 0.16 0.00 -0.52 0.00 0.00 55.73 55.22 1s64 s ARG 96 Cb -0.10 -2.57 0.17 0.00 0.52 0.00 0.00 34.95 32.97 1s64 s ARG 96 CO 0.03 0.02 1.49 0.78 0.02 0.00 0.00 175.30 177.64 1s64 h GLY 97 N 0.57 0.00 -0.23 -3.53 0.00 -1.89 -3.46 103.07 94.53 1s64 h GLY 97 Ca -0.49 0.00 0.03 0.00 0.00 0.00 0.00 47.33 46.88 1s64 h GLY 97 CO 0.61 0.00 0.11 -1.14 0.00 0.00 0.00 176.54 176.12 1s64 n SER 98 N -3.23 -0.23 -2.02 0.19 3.41 -1.26 -1.44 113.62 109.03 1s64 n SER 98 Ca 0.02 -1.10 -0.09 0.00 -0.26 0.00 0.00 58.87 57.44 1s64 n SER 98 Cb 0.69 0.37 0.28 0.00 -0.26 0.00 0.00 64.21 65.29 1s64 n SER 98 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1s64 n SER 99 N -0.54 4.61 0.19 4.04 3.41 -1.26 -4.66 113.62 119.40 1s64 n SER 99 Ca 0.00 -3.23 0.10 0.00 -0.26 0.00 0.00 58.87 55.48 1s64 n SER 99 Cb 0.09 -0.76 0.53 0.00 -0.26 0.00 0.00 64.21 63.81 1s64 n SER 99 CO 0.00 0.00 0.00 0.10 -0.16 0.00 0.00 175.04 174.98 1s64 h TYR 100 N 2.34 0.00 0.00 7.33 -0.00 -1.96 -1.33 116.97 123.36 1s64 h TYR 100 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.05 1s64 h TYR 100 Cb 2.38 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 39.11 1s64 h TYR 100 CO 1.31 0.00 -0.10 1.28 -0.00 0.00 0.00 178.16 180.64 1s64 n LEU 101 N -2.25 0.74 0.00 0.10 4.77 -1.26 -4.93 117.00 114.16 1s64 n LEU 101 Ca -0.01 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1s64 n LEU 101 Cb 0.20 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1s64 n LEU 101 CO 0.09 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 1s64 n GLY 102 N 1.33 0.59 3.74 -0.72 0.00 -0.50 -5.03 105.19 104.60 1s64 n GLY 102 Ca 0.05 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1s64 n GLY 102 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s64 s ILE 103 N -2.00 3.58 0.10 -0.61 1.01 -1.26 -4.94 121.20 117.08 1s64 s ILE 103 Ca 0.00 1.31 -0.34 0.00 0.00 0.00 0.00 60.65 61.62 1s64 s ILE 103 Cb 0.00 -3.84 -0.14 0.00 0.01 0.00 0.00 42.46 38.50 1s64 s ILE 103 CO 0.00 0.20 1.61 -0.81 0.00 0.00 0.00 174.94 175.94 1s64 n PRO 104 N 2.63 2.05 -1.65 2.79 -0.04 -1.26 -4.85 135.00 134.67 1s64 n PRO 104 Ca 0.05 0.74 -0.60 0.00 -0.04 0.00 0.00 63.50 63.65 1s64 n PRO 104 Cb 0.45 -2.51 -0.08 0.00 -0.04 0.00 0.00 33.50 31.32 1s64 n PRO 104 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1s64 n PHE 105 N 3.96 1.53 -3.26 0.54 7.35 -1.26 -4.95 117.46 121.36 1s64 n PHE 105 Ca 0.18 0.87 -0.05 0.00 -0.76 0.00 0.00 57.45 57.69 1s64 n PHE 105 Cb 0.28 -2.28 -0.04 0.00 0.35 0.00 0.00 39.48 37.79 1s64 n PHE 105 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1s64 s ASN 106 N 1.98 -0.24 -0.60 -2.13 2.47 -1.26 -5.06 114.94 110.09 1s64 s ASN 106 Ca 0.96 -0.38 -0.04 0.00 0.42 0.00 0.00 52.86 53.82 1s64 s ASN 106 Cb -1.23 1.38 -0.05 0.00 -1.45 0.00 0.00 41.25 39.90 1s64 s ASN 106 CO 0.65 -0.32 1.84 -0.81 -3.72 0.00 0.00 177.10 174.75 1s64 n PRO 107 N 5.19 1.49 -3.91 0.43 -0.04 -1.26 -4.08 135.00 132.82 1s64 n PRO 107 Ca 0.04 -1.12 -0.27 0.00 -0.04 0.00 0.00 63.50 62.10 1s64 n PRO 107 Cb 0.51 -2.26 0.01 0.00 -0.04 0.00 0.00 33.50 31.72 1s64 n PRO 107 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1s64 n SER 108 N 4.17 -2.56 0.00 3.54 7.64 -1.14 -4.74 113.62 120.54 1s64 n SER 108 Ca 0.32 -0.87 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1s64 n SER 108 Cb 0.14 -3.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.75 1s64 n SER 108 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1s64 n LYS 109 N -4.46 0.00 -1.26 1.43 5.02 -1.26 -5.03 118.16 112.59 1s64 n LYS 109 Ca -0.13 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.86 1s64 n LYS 109 Cb 0.60 -0.07 0.23 0.00 -0.02 0.00 0.00 35.03 35.77 1s64 n LYS 109 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1s64 s ASN 110 N -1.32 1.33 0.58 4.39 2.20 -1.26 -5.05 114.94 115.81 1s64 s ASN 110 Ca 0.00 0.53 0.00 0.00 -0.94 0.00 0.00 52.86 52.45 1s64 s ASN 110 Cb 0.00 -0.71 0.00 0.00 -2.00 0.00 0.00 41.25 38.54 1s64 s ASN 110 CO 0.00 -3.86 0.00 0.09 -2.94 0.00 0.00 177.10 170.39 1s64 n PRO 111 N -4.57 -0.50 -3.53 3.55 -0.09 -1.26 -4.97 135.00 123.62 1s64 n PRO 111 Ca 0.14 0.00 -0.36 0.00 -0.09 0.00 0.00 63.50 63.18 1s64 n PRO 111 Cb 0.60 0.00 -0.07 0.00 -0.09 0.00 0.00 33.50 33.93 1s64 n PRO 111 CO 0.00 0.00 0.00 0.20 -0.09 0.00 0.00 175.50 175.61 1s64 s GLY 112 N -1.69 2.18 -0.66 1.68 0.00 -1.19 -4.98 107.32 102.66 1s64 s GLY 112 Ca 0.00 -0.49 -0.28 0.00 0.00 0.00 0.00 44.72 43.95 1s64 s GLY 112 CO 0.00 0.47 1.30 -0.51 0.00 0.00 0.00 173.10 174.35 1s64 s THR 113 N 0.60 3.81 0.19 0.90 -4.23 -1.26 -4.52 115.64 111.12 1s64 s THR 113 Ca 0.16 0.60 -0.32 0.00 -1.18 0.00 0.00 61.69 60.95 1s64 s THR 113 Cb -0.13 -4.75 -0.15 0.00 1.34 0.00 0.00 72.50 68.81 1s64 s THR 113 CO 0.04 -1.55 1.15 0.00 -0.54 0.00 0.00 174.62 173.72 1s64 n ALA 114 N 9.24 -0.68 -3.69 3.99 0.00 -1.26 -5.00 120.51 123.12 1s64 n ALA 114 Ca 0.07 0.45 -0.10 0.00 0.00 0.00 0.00 53.44 53.86 1s64 n ALA 114 Cb 0.49 -2.03 -0.10 0.00 0.00 0.00 0.00 19.45 17.81 1s64 n ALA 114 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1s64 s HIS 115 N -0.28 -0.66 0.49 0.00 5.65 -1.26 -5.06 115.29 114.17 1s64 s HIS 115 Ca 0.71 1.38 0.29 0.00 0.25 0.00 0.00 55.06 57.70 1s64 s HIS 115 Cb -0.83 0.30 1.38 0.00 -1.18 0.00 0.00 32.58 32.25 1s64 s HIS 115 CO 0.53 -0.37 1.81 -1.35 -0.65 0.00 0.00 174.74 174.71 1s64 h PRO 116 N 7.19 0.14 0.00 2.88 0.11 -2.05 -2.94 132.00 137.32 1s64 h PRO 116 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1s64 h PRO 116 Cb 1.18 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1s64 h PRO 116 CO 0.27 0.09 -0.10 0.66 -0.21 0.00 0.00 178.00 178.71 1s64 n TYR 117 N -4.36 0.00 -3.38 0.65 4.01 -1.26 -5.02 117.16 107.80 1s64 n TYR 117 Ca 0.24 -0.65 -0.39 0.00 -0.16 0.00 0.00 57.90 56.95 1s64 n TYR 117 Cb 1.06 -0.10 -0.08 0.00 -0.31 0.00 0.00 39.34 39.90 1s64 n TYR 117 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1s64 s ASP 118 N -1.98 6.36 0.26 7.72 2.15 -1.11 -5.03 116.67 125.03 1s64 s ASP 118 Ca 0.18 0.43 -0.21 0.00 0.43 0.00 0.00 52.55 53.38 1s64 s ASP 118 Cb 0.16 -2.23 0.02 0.00 -0.30 0.00 0.00 42.92 40.58 1s64 s ASP 118 CO 0.02 -0.13 0.68 -0.94 -0.17 0.00 0.00 175.17 174.63 1s64 s SER 119 N 1.30 -0.29 0.81 -0.34 1.04 -1.26 -4.88 113.70 110.07 1s64 s SER 119 Ca 0.17 -0.55 -0.11 0.00 0.48 0.00 0.00 55.95 55.94 1s64 s SER 119 Cb -0.15 0.70 0.09 0.00 0.10 0.00 0.00 66.02 66.76 1s64 s SER 119 CO 0.09 -1.28 1.16 -0.83 0.98 0.00 0.00 173.24 173.36 1s64 s GLY 120 N -2.90 1.63 -0.10 7.32 0.00 -0.34 -4.65 107.32 108.27 1s64 s GLY 120 Ca 0.10 -0.76 -0.00 0.00 0.00 0.00 0.00 44.72 44.07 1s64 s GLY 120 CO 0.04 -0.26 -0.08 -1.58 0.00 0.00 0.00 173.10 171.23 1s64 s HIS 121 N -3.55 1.43 0.31 1.90 5.04 -0.13 -4.57 115.29 115.72 1s64 s HIS 121 Ca 0.63 -0.68 0.08 0.00 -1.54 0.00 0.00 55.06 53.55 1s64 s HIS 121 Cb -0.10 -1.18 0.89 0.00 0.04 0.00 0.00 32.58 32.23 1s64 s HIS 121 CO 0.49 -0.47 1.65 0.97 -2.34 0.00 0.00 174.74 175.04 1s64 h ILE 122 N 6.16 0.30 0.00 0.89 2.10 -1.04 0.52 117.51 126.44 1s64 h ILE 122 Ca -0.30 -0.09 -0.05 0.00 1.08 0.00 0.00 64.86 65.50 1s64 h ILE 122 Cb 1.14 0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 36.88 1s64 h ILE 122 CO 0.41 0.05 -0.24 0.00 -1.08 0.00 0.00 178.15 177.29 1s64 h ALA 123 N 1.82 1.06 0.17 0.18 0.00 -1.95 -1.83 119.26 118.71 1s64 h ALA 123 Ca 0.64 -0.22 -0.32 0.00 0.00 0.00 0.00 54.91 55.02 1s64 h ALA 123 Cb 1.38 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.15 1s64 h ALA 123 CO -0.64 0.30 -1.49 0.52 0.00 0.00 0.00 179.25 177.94 1s64 h MET 124 N 0.00 0.37 -0.83 0.00 2.86 -0.35 -1.81 114.93 115.17 1s64 h MET 124 Ca -0.00 -0.63 -0.02 0.00 -2.06 0.00 0.00 59.70 56.99 1s64 h MET 124 Cb 0.72 0.23 -0.04 0.00 0.06 0.00 0.00 31.60 32.57 1s64 h MET 124 CO 0.03 1.27 0.43 1.15 1.06 0.00 0.00 176.91 180.86 1s64 h THR 125 N 0.10 1.25 0.61 2.22 2.02 -0.78 0.55 112.91 118.88 1s64 h THR 125 Ca -0.24 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.26 1s64 h THR 125 Cb 2.07 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 68.64 1s64 h THR 125 CO 0.21 0.29 -0.29 0.22 0.37 0.00 0.00 175.52 176.31 1s64 h TYR 126 N 1.16 -0.76 0.00 3.16 3.20 -1.37 -1.83 116.97 120.53 1s64 h TYR 126 Ca 0.29 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 1s64 h TYR 126 Cb 0.06 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1s64 h TYR 126 CO 0.01 -0.43 -0.18 1.79 -1.64 0.00 0.00 178.16 177.71 1s64 h THR 127 N -1.10 0.94 0.56 1.81 1.35 -1.24 -0.87 112.91 114.35 1s64 h THR 127 Ca -0.08 -0.65 -0.03 0.00 -0.55 0.00 0.00 66.41 65.10 1s64 h THR 127 Cb 0.68 1.37 0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1s64 h THR 127 CO 0.14 0.17 -0.27 1.23 -0.25 0.00 0.00 175.52 176.54 1s64 h GLY 128 N 0.70 -0.78 0.76 5.82 0.00 0.14 0.13 103.07 109.85 1s64 h GLY 128 Ca -0.00 0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.67 1s64 h GLY 128 CO 0.02 -0.28 0.45 1.41 0.00 0.00 0.00 176.54 178.14 1s64 h LEU 129 N -1.03 0.70 -0.75 3.11 3.38 -1.22 -1.31 115.31 118.19 1s64 h LEU 129 Ca -0.08 0.02 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1s64 h LEU 129 Cb 0.64 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 1s64 h LEU 129 CO 0.13 0.46 0.45 -1.28 0.09 0.00 0.00 178.44 178.29 1s64 h SER 130 N 0.84 0.70 -0.49 -0.43 0.87 -1.08 -2.07 113.55 111.88 1s64 h SER 130 Ca 0.32 0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.82 1s64 h SER 130 Cb 0.12 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1s64 h SER 130 CO -0.15 0.45 0.01 0.00 -0.53 0.00 0.00 176.83 176.61 1s64 h LEU 132 N 0.73 0.41 -0.43 0.00 3.38 -0.82 -0.79 115.31 117.79 1s64 h LEU 132 Ca 0.14 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1s64 h LEU 132 Cb 0.51 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1s64 h LEU 132 CO 0.02 0.28 0.19 0.40 0.09 0.00 0.00 178.44 179.43 1s64 h ILE 133 N 0.54 1.19 -0.70 1.22 2.04 -1.29 -1.44 117.51 119.06 1s64 h ILE 133 Ca 0.23 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.54 1s64 h ILE 133 Cb 0.12 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1s64 h ILE 133 CO -0.15 0.21 0.46 0.40 0.00 0.00 0.00 178.15 179.08 1s64 h ILE 134 N 0.56 1.16 0.00 -0.67 2.04 -0.95 -2.08 117.51 117.57 1s64 h ILE 134 Ca 0.15 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1s64 h ILE 134 Cb 0.15 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1s64 h ILE 134 CO -0.02 0.17 0.00 0.18 0.00 0.00 0.00 178.15 178.48 1s64 n LEU 135 N -4.44 0.00 0.00 1.44 4.77 -0.34 -4.92 117.00 113.51 1s64 n LEU 135 Ca 0.08 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1s64 n LEU 135 Cb 0.06 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1s64 n LEU 135 CO 0.36 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1s64 n GLY 136 N 1.35 0.18 3.69 -0.72 0.00 -0.78 -4.95 105.19 103.97 1s64 n GLY 136 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1s64 n GLY 136 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1s64 n ASP 137 N 0.00 1.08 -1.10 1.61 -0.08 -0.58 -4.94 116.55 112.53 1s64 n ASP 137 Ca 0.00 0.59 0.10 0.00 -1.51 0.00 0.00 54.79 53.97 1s64 n ASP 137 Cb 0.00 -1.51 0.24 0.00 2.34 0.00 0.00 41.12 42.19 1s64 n ASP 137 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1s64 n ASP 138 N -3.27 3.51 -1.42 1.67 5.68 -1.26 -4.46 116.55 116.99 1s64 n ASP 138 Ca 0.14 -1.97 -0.17 0.00 -0.50 0.00 0.00 54.79 52.28 1s64 n ASP 138 Cb 0.50 -0.35 -0.07 0.00 -1.14 0.00 0.00 41.12 40.07 1s64 n ASP 138 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1s64 n LEU 139 N 1.32 -1.34 0.15 -2.12 4.32 -1.26 -4.88 117.00 113.19 1s64 n LEU 139 Ca 0.19 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.56 1s64 n LEU 139 Cb 0.56 -2.48 0.27 0.00 -1.62 0.00 0.00 43.42 40.15 1s64 n LEU 139 CO 0.14 -0.81 0.64 0.77 -1.22 0.00 0.00 177.39 176.91 1s64 h SER 140 N 0.00 0.05 -0.00 -1.43 4.64 -2.02 -2.64 113.55 112.14 1s64 h SER 140 Ca -0.36 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1s64 h SER 140 Cb 1.16 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1s64 h SER 140 CO 0.52 0.50 -0.00 0.54 -0.87 0.00 0.00 176.83 177.52 1s64 n ARG 141 N -4.00 1.37 -2.97 4.77 1.74 -1.26 -4.80 116.66 111.51 1s64 n ARG 141 Ca -0.02 -0.54 -0.41 0.00 -0.77 0.00 0.00 57.85 56.11 1s64 n ARG 141 Cb 0.48 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.39 1s64 n ARG 141 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1s64 s VAL 142 N -2.01 4.92 -1.18 1.55 1.01 -1.00 -4.96 120.40 118.74 1s64 s VAL 142 Ca 0.42 1.47 -0.20 0.00 0.00 0.00 0.00 61.98 63.67 1s64 s VAL 142 Cb 0.21 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.58 1s64 s VAL 142 CO 0.35 0.04 1.64 -0.62 0.00 0.00 0.00 175.10 176.51 1s64 s ASP 143 N 1.20 6.62 0.21 3.32 -1.08 -1.26 -4.82 116.67 120.86 1s64 s ASP 143 Ca 0.34 -2.01 -0.12 0.00 -0.52 0.00 0.00 52.55 50.25 1s64 s ASP 143 Cb -0.16 -2.58 0.27 0.00 -1.46 0.00 0.00 42.92 38.99 1s64 s ASP 143 CO 0.11 -1.39 1.66 0.11 0.52 0.00 0.00 175.17 176.18 1s64 h LYS 144 N 8.55 0.10 -0.43 4.34 1.57 -1.93 -1.26 116.57 127.51 1s64 h LYS 144 Ca 0.34 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1s64 h LYS 144 Cb 0.93 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1s64 h LYS 144 CO 1.44 0.07 0.17 0.93 -0.57 0.00 0.00 179.45 181.49 1s64 h GLU 145 N 0.10 0.62 -0.22 3.15 4.39 -2.00 -1.85 114.58 118.77 1s64 h GLU 145 Ca 0.31 -0.08 -0.07 0.00 0.34 0.00 0.00 59.36 59.86 1s64 h GLU 145 Cb 0.49 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1s64 h GLU 145 CO -0.52 0.51 -0.12 0.00 -1.16 0.00 0.00 179.01 177.72 1s64 h ALA 146 N 1.58 0.31 -0.47 3.43 0.00 -1.64 -1.49 119.26 120.98 1s64 h ALA 146 Ca 0.15 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1s64 h ALA 146 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1s64 h ALA 146 CO -0.02 0.16 0.28 0.00 0.00 0.00 0.00 179.25 179.68 1s64 h LEU 148 N 0.56 0.80 -0.63 0.00 3.38 -1.30 0.13 115.31 118.25 1s64 h LEU 148 Ca 0.19 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1s64 h LEU 148 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1s64 h LEU 148 CO -0.09 0.78 0.07 0.00 0.09 0.00 0.00 178.44 179.30 1s64 h ALA 149 N 1.32 0.84 -0.60 1.53 0.00 -0.67 -0.84 119.26 120.84 1s64 h ALA 149 Ca 0.18 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1s64 h ALA 149 Cb 0.30 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1s64 h ALA 149 CO -0.00 0.63 0.17 0.78 0.00 0.00 0.00 179.25 180.82 1s64 h GLY 150 N 0.97 1.01 0.99 0.00 0.00 -0.28 -2.71 103.07 103.05 1s64 h GLY 150 Ca 0.19 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1s64 h GLY 150 CO 0.02 0.57 -0.13 -2.00 0.00 0.00 0.00 176.54 175.00 1s64 h LEU 151 N 0.86 -0.32 -0.87 3.11 6.46 -0.37 -2.74 115.31 121.44 1s64 h LEU 151 Ca 0.19 0.01 0.18 0.00 -0.12 0.00 0.00 57.88 58.15 1s64 h LEU 151 Cb 0.31 0.09 -0.11 0.00 -0.73 0.00 0.00 40.66 40.22 1s64 h LEU 151 CO -0.00 -0.22 0.42 0.03 -0.62 0.00 0.00 178.44 178.04 1s64 h ARG 152 N -0.37 0.50 0.00 1.25 3.08 -0.90 0.82 114.38 118.76 1s64 h ARG 152 Ca -0.03 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1s64 h ARG 152 Cb 0.29 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1s64 h ARG 152 CO 0.05 0.33 -0.02 0.00 -1.07 0.00 0.00 179.97 179.27 1s64 h ALA 153 N 1.63 1.09 0.00 0.04 0.00 -1.18 -2.61 119.26 118.24 1s64 h ALA 153 Ca 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1s64 h ALA 153 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1s64 h ALA 153 CO -0.44 0.02 -0.36 -0.07 0.00 0.00 0.00 179.25 178.40 1s64 h LEU 154 N 0.00 0.00 -9.62 0.00 3.38 -0.73 -3.47 115.31 104.88 1s64 h LEU 154 Ca -0.00 -0.05 -0.52 0.00 0.09 0.00 0.00 57.88 57.40 1s64 h LEU 154 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1s64 h LEU 154 CO 0.00 0.03 0.44 -1.58 0.09 0.00 0.00 178.44 177.41 1s64 s GLN 155 N -3.20 4.63 0.58 1.13 0.74 -0.99 -1.46 119.66 121.08 1s64 s GLN 155 Ca 0.06 1.62 0.01 0.00 0.05 0.00 0.00 55.36 57.10 1s64 s GLN 155 Cb 0.10 -3.32 0.05 0.00 1.10 0.00 0.00 33.01 30.94 1s64 s GLN 155 CO 0.69 0.12 0.81 -0.51 -0.55 0.00 0.00 175.29 175.84 1s64 s LEU 156 N -0.17 3.23 0.33 3.68 1.43 0.27 -4.97 118.68 122.47 1s64 s LEU 156 Ca 0.49 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.52 1s64 s LEU 156 Cb -0.27 -2.67 0.66 0.00 0.03 0.00 0.00 46.19 43.94 1s64 s LEU 156 CO 0.33 -1.26 1.90 -0.33 0.23 0.00 0.00 176.35 177.21 1s64 h GLU 157 N -0.01 0.85 0.00 1.70 4.39 -1.97 -0.98 114.58 118.56 1s64 h GLU 157 Ca -0.41 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1s64 h GLU 157 Cb 1.29 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1s64 h GLU 157 CO 0.50 0.56 0.00 -0.40 -1.16 0.00 0.00 179.01 178.51 1s64 n ASP 158 N -4.53 0.00 0.00 1.42 3.85 -1.26 -4.88 116.55 111.15 1s64 n ASP 158 Ca 0.15 -0.88 0.00 0.00 -0.71 0.00 0.00 54.79 53.35 1s64 n ASP 158 Cb 0.31 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.08 1s64 n ASP 158 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1s64 n GLY 159 N 0.65 2.49 3.84 6.12 0.00 -0.37 -4.07 105.19 113.85 1s64 n GLY 159 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1s64 n GLY 159 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s64 n SER 160 N 0.00 0.23 -4.28 1.61 3.41 -1.26 -3.98 113.62 109.34 1s64 n SER 160 Ca 0.00 -1.55 -0.20 0.00 -0.26 0.00 0.00 58.87 56.87 1s64 n SER 160 Cb 0.00 -0.97 -0.11 0.00 -0.26 0.00 0.00 64.21 62.86 1s64 n SER 160 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1s64 s PHE 161 N -3.81 1.60 0.39 7.33 0.40 -1.26 -0.56 117.98 122.07 1s64 s PHE 161 Ca 0.74 -0.51 0.07 0.00 -0.60 0.00 0.00 56.93 56.63 1s64 s PHE 161 Cb -0.02 -0.82 0.00 0.00 0.51 0.00 0.00 43.02 42.69 1s64 s PHE 161 CO 0.52 0.23 0.53 0.00 0.70 0.00 0.00 175.22 177.19 1s64 n ALA 163 N -1.77 1.41 -2.88 0.00 0.00 -1.26 -4.77 120.51 111.24 1s64 n ALA 163 Ca 0.05 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.58 1s64 n ALA 163 Cb 0.59 -0.77 -0.11 0.00 0.00 0.00 0.00 19.45 19.15 1s64 n ALA 163 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1s64 s VAL 164 N -2.58 0.44 0.56 0.00 -7.23 -1.26 -0.42 120.40 109.92 1s64 s VAL 164 Ca -0.08 -0.99 0.25 0.00 -1.81 0.00 0.00 61.98 59.35 1s64 s VAL 164 Cb 0.08 -0.52 0.34 0.00 0.56 0.00 0.00 36.38 36.83 1s64 s VAL 164 CO 0.82 -0.38 2.16 1.55 -0.31 0.00 0.00 175.10 178.93 1s64 h PRO 165 N 4.62 0.00 0.00 4.82 0.13 -1.87 -0.56 132.00 139.14 1s64 h PRO 165 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1s64 h PRO 165 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1s64 h PRO 165 CO 0.41 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.57 1s64 n GLU 166 N -4.09 0.13 0.00 0.86 4.71 -1.26 -4.97 120.64 116.02 1s64 n GLU 166 Ca -0.00 0.33 0.00 0.00 -0.01 0.00 0.00 57.16 57.47 1s64 n GLU 166 Cb 0.21 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 28.91 1s64 n GLU 166 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1s64 n GLY 167 N 0.20 2.80 0.65 0.62 0.00 -0.22 -5.17 105.19 104.06 1s64 n GLY 167 Ca 0.03 -1.72 -0.00 0.00 0.00 0.00 0.00 46.02 44.34 1s64 n GLY 167 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1s64 n SER 168 N 0.00 -0.24 -4.80 1.61 3.41 -1.26 -4.71 113.62 107.63 1s64 n SER 168 Ca 0.00 -1.10 -0.32 0.00 -0.26 0.00 0.00 58.87 57.20 1s64 n SER 168 Cb 0.00 0.39 0.05 0.00 -0.26 0.00 0.00 64.21 64.39 1s64 n SER 168 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1s64 s GLU 169 N -2.01 2.79 -0.04 4.33 1.03 -1.26 -4.87 118.70 118.67 1s64 s GLU 169 Ca 0.04 1.12 0.02 0.00 0.03 0.00 0.00 54.97 56.18 1s64 s GLU 169 Cb -0.00 -1.97 0.01 0.00 -0.80 0.00 0.00 34.13 31.37 1s64 s GLU 169 CO 0.00 -1.23 -0.09 0.54 -1.33 0.00 0.00 175.26 173.16 1s64 s ASN 170 N -3.34 1.35 0.11 0.83 4.22 -1.26 -4.16 114.94 112.68 1s64 s ASN 170 Ca 0.61 -0.21 -0.09 0.00 -2.14 0.00 0.00 52.86 51.03 1s64 s ASN 170 Cb -0.16 -0.50 0.03 0.00 1.28 0.00 0.00 41.25 41.91 1s64 s ASN 170 CO 0.50 0.04 0.45 -0.90 -2.04 0.00 0.00 177.10 175.15 1s64 n ASP 171 N 3.58 -0.87 -0.25 3.54 5.68 -1.20 -4.93 116.55 122.10 1s64 n ASP 171 Ca -0.21 -1.50 0.11 0.00 -0.50 0.00 0.00 54.79 52.69 1s64 n ASP 171 Cb 0.53 1.43 0.38 0.00 -1.14 0.00 0.00 41.12 42.31 1s64 n ASP 171 CO 0.00 0.00 0.00 -0.03 -1.33 0.00 0.00 177.20 175.84 1s64 h MET 172 N 0.00 0.67 -0.81 0.11 1.85 -1.75 -2.30 114.93 112.70 1s64 h MET 172 Ca -0.13 -0.04 0.16 0.00 -0.61 0.00 0.00 59.70 59.07 1s64 h MET 172 Cb 0.56 -0.15 -0.10 0.00 0.43 0.00 0.00 31.60 32.34 1s64 h MET 172 CO 0.18 0.44 0.36 0.00 -0.40 0.00 0.00 176.91 177.49 1s64 h ARG 173 N 0.69 0.48 0.00 0.39 3.08 -1.94 -0.59 114.38 116.49 1s64 h ARG 173 Ca 0.42 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.44 1s64 h ARG 173 Cb 0.66 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1s64 h ARG 173 CO -0.18 0.32 -0.08 0.74 -1.07 0.00 0.00 179.97 179.69 1s64 h PHE 174 N 0.49 0.00 -0.35 3.04 0.05 -1.69 -2.69 116.94 115.79 1s64 h PHE 174 Ca 0.45 0.00 -0.15 0.00 3.82 0.00 0.00 57.97 62.10 1s64 h PHE 174 Cb 0.70 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.64 1s64 h PHE 174 CO -0.14 0.00 -0.36 0.28 -0.18 0.00 0.00 178.31 177.91 1s64 h VAL 175 N 0.00 1.28 -0.52 -0.55 2.07 -1.04 -0.72 116.25 116.77 1s64 h VAL 175 Ca 0.00 -1.53 -0.07 0.00 0.82 0.00 0.00 66.70 65.92 1s64 h VAL 175 Cb 0.98 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1s64 h VAL 175 CO 0.00 0.51 0.07 0.22 0.02 0.00 0.00 177.57 178.38 1s64 h TYR 176 N 0.68 0.93 -0.36 1.57 3.20 -1.14 -0.85 116.97 121.00 1s64 h TYR 176 Ca 0.06 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 1s64 h TYR 176 Cb 0.92 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 1s64 h TYR 176 CO 0.05 0.84 0.17 0.00 -1.64 0.00 0.00 178.16 177.59 1s64 h ALA 178 N 1.02 0.73 -0.38 0.00 0.00 -0.96 -0.99 119.26 118.68 1s64 h ALA 178 Ca 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1s64 h ALA 178 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1s64 h ALA 178 CO -0.02 0.10 0.23 0.77 0.00 0.00 0.00 179.25 180.33 1s64 h SER 179 N 0.71 0.45 -0.83 0.00 0.02 -0.80 -1.10 113.55 112.00 1s64 h SER 179 Ca 0.22 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1s64 h SER 179 Cb -0.01 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 1s64 h SER 179 CO -0.08 0.37 0.47 0.00 -1.14 0.00 0.00 176.83 176.44 1s64 h ILE 181 N 1.15 1.00 -0.80 0.00 2.04 -0.86 0.15 117.51 120.19 1s64 h ILE 181 Ca 0.29 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1s64 h ILE 181 Cb 0.01 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.24 1s64 h ILE 181 CO -0.05 0.08 0.52 0.00 0.00 0.00 0.00 178.15 178.70 1s64 h TYR 183 N 0.97 0.48 -0.45 0.00 3.20 -0.88 -0.19 116.97 120.10 1s64 h TYR 183 Ca 0.32 -0.11 -0.11 0.00 3.14 0.00 0.00 58.73 61.97 1s64 h TYR 183 Cb 0.05 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 1s64 h TYR 183 CO -0.00 0.68 -0.16 0.52 -1.64 0.00 0.00 178.16 177.56 1s64 h MET 184 N 0.15 0.86 -0.13 1.82 2.86 -0.53 -1.55 114.93 118.41 1s64 h MET 184 Ca 0.05 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1s64 h MET 184 Cb 0.53 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1s64 h MET 184 CO 0.02 0.95 0.00 1.28 1.06 0.00 0.00 176.91 180.23 1s64 n LEU 185 N -4.13 0.94 -4.31 1.22 4.77 -0.20 -4.90 117.00 110.39 1s64 n LEU 185 Ca 0.01 -0.43 -0.33 0.00 -0.03 0.00 0.00 56.01 55.23 1s64 n LEU 185 Cb 0.41 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 1s64 n LEU 185 CO 0.44 0.21 -0.36 -3.20 -1.33 0.00 0.00 177.39 173.16 1s64 n ASN 186 N -0.09 -0.01 -3.56 -1.43 5.15 -0.51 -4.92 115.26 109.88 1s64 n ASN 186 Ca 0.12 -1.22 -0.04 0.00 -0.60 0.00 0.00 54.58 52.83 1s64 n ASN 186 Cb 0.19 -1.86 -0.06 0.00 -0.53 0.00 0.00 39.78 37.51 1s64 n ASN 186 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1s64 s ASN 187 N -4.10 -0.64 -0.13 1.20 3.84 -0.20 -5.03 114.94 109.88 1s64 s ASN 187 Ca 0.21 1.10 0.12 0.00 0.21 0.00 0.00 52.86 54.50 1s64 s ASN 187 Cb -0.12 1.76 0.57 0.00 -0.55 0.00 0.00 41.25 42.91 1s64 s ASN 187 CO 0.99 -0.24 1.41 0.79 -2.79 0.00 0.00 177.10 177.26 1s64 n TRP 188 N 5.41 1.34 0.85 0.43 7.02 -1.26 -4.05 117.44 127.17 1s64 n TRP 188 Ca -0.08 -0.49 0.10 0.00 -1.02 0.00 0.00 57.50 56.01 1s64 n TRP 188 Cb 0.50 -0.31 0.48 0.00 -2.42 0.00 0.00 31.31 29.55 1s64 n TRP 188 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1s64 n SER 189 N 0.61 0.00 0.00 -0.99 3.41 -1.26 -2.66 113.62 112.73 1s64 n SER 189 Ca 0.20 0.20 0.08 0.00 -0.26 0.00 0.00 58.87 59.09 1s64 n SER 189 Cb 0.83 -0.37 0.35 0.00 -0.26 0.00 0.00 64.21 64.75 1s64 n SER 189 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s64 n GLY 190 N 0.48 -1.03 3.35 5.00 0.00 -1.26 -4.81 105.19 106.92 1s64 n GLY 190 Ca 0.08 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1s64 n GLY 190 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1s64 s MET 191 N -2.96 1.12 -0.95 1.61 0.23 -1.09 -2.60 119.30 114.66 1s64 s MET 191 Ca 0.08 -0.75 -0.16 0.00 -1.03 0.00 0.00 55.69 53.83 1s64 s MET 191 Cb 0.10 0.47 0.18 0.00 -1.53 0.00 0.00 34.83 34.05 1s64 s MET 191 CO 0.29 -0.44 1.06 0.34 -2.03 0.00 0.00 175.02 174.23 1s64 s ASP 192 N -2.82 6.79 0.34 -1.18 3.68 -1.26 -4.90 116.67 117.32 1s64 s ASP 192 Ca 0.05 -2.51 0.11 0.00 2.13 0.00 0.00 52.55 52.33 1s64 s ASP 192 Cb 0.01 -2.33 0.92 0.00 -1.45 0.00 0.00 42.92 40.08 1s64 s ASP 192 CO -0.10 -0.80 1.76 -0.03 0.13 0.00 0.00 175.17 176.12 1s64 h MET 193 N 8.09 0.55 -0.62 4.34 1.85 -1.98 -1.17 114.93 126.00 1s64 h MET 193 Ca 0.17 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.22 1s64 h MET 193 Cb 1.00 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 32.87 1s64 h MET 193 CO 1.01 0.37 0.38 -0.22 -0.40 0.00 0.00 176.91 178.05 1s64 h LYS 194 N 0.57 0.83 -0.25 0.39 3.64 -2.00 -0.91 116.57 118.85 1s64 h LYS 194 Ca 0.61 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.78 1s64 h LYS 194 Cb 1.22 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1s64 h LYS 194 CO -0.39 0.59 -0.41 0.87 -2.27 0.00 0.00 179.45 177.84 1s64 h LYS 195 N 0.84 0.59 -0.37 1.90 1.57 -1.61 -2.09 116.57 117.40 1s64 h LYS 195 Ca 0.22 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1s64 h LYS 195 Cb -0.04 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1s64 h LYS 195 CO -0.04 0.90 0.14 0.00 -0.57 0.00 0.00 179.45 179.87 1s64 h ALA 196 N 1.07 0.48 -0.83 3.86 0.00 -1.06 -1.40 119.26 121.37 1s64 h ALA 196 Ca 0.04 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1s64 h ALA 196 Cb 0.91 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 1s64 h ALA 196 CO 0.08 0.09 0.55 0.82 0.00 0.00 0.00 179.25 180.79 1s64 h ILE 197 N 0.45 1.20 -0.81 0.00 2.04 -1.08 -0.89 117.51 118.42 1s64 h ILE 197 Ca 0.12 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1s64 h ILE 197 Cb 0.20 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.23 1s64 h ILE 197 CO -0.01 0.20 0.53 -1.28 0.00 0.00 0.00 178.15 177.60 1s64 h SER 198 N 1.11 0.91 -0.45 1.72 0.87 -1.00 -0.51 113.55 116.20 1s64 h SER 198 Ca 0.31 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 1s64 h SER 198 Cb -0.11 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.61 1s64 h SER 198 CO -0.07 0.66 0.17 0.22 -0.53 0.00 0.00 176.83 177.27 1s64 h TYR 199 N 1.08 0.69 -0.71 2.24 3.20 -0.38 -1.46 116.97 121.63 1s64 h TYR 199 Ca 0.30 -0.06 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1s64 h TYR 199 Cb -0.10 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 37.94 1s64 h TYR 199 CO -0.02 0.60 0.35 0.82 -1.64 0.00 0.00 178.16 178.27 1s64 h ILE 200 N 0.58 1.23 -0.22 1.81 2.04 -0.64 -2.47 117.51 119.84 1s64 h ILE 200 Ca 0.15 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1s64 h ILE 200 Cb 0.21 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1s64 h ILE 200 CO -0.01 0.27 0.08 0.03 0.00 0.00 0.00 178.15 178.52 1s64 h ARG 201 N 0.99 0.34 0.00 2.37 3.08 -0.88 -2.63 114.38 117.65 1s64 h ARG 201 Ca 0.25 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1s64 h ARG 201 Cb 0.10 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1s64 h ARG 201 CO -0.03 0.41 0.00 0.54 -1.07 0.00 0.00 179.97 179.81 1s64 n ARG 202 N -4.79 0.12 0.00 0.04 1.74 -0.57 -1.67 116.66 111.52 1s64 n ARG 202 Ca -0.03 0.54 0.13 0.00 -0.77 0.00 0.00 57.85 57.72 1s64 n ARG 202 Cb 0.14 -1.83 0.41 0.00 -1.02 0.00 0.00 32.46 30.15 1s64 n ARG 202 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1s64 n SER 203 N -2.07 0.32 -4.71 0.55 3.41 -0.95 -4.04 113.62 106.12 1s64 n SER 203 Ca -0.00 0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 1s64 n SER 203 Cb 0.08 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 1s64 n SER 203 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 1s64 s MET 204 N -2.97 4.26 0.67 4.33 -2.45 -0.67 -1.51 119.30 120.97 1s64 s MET 204 Ca 0.13 2.21 -0.04 0.00 -1.25 0.00 0.00 55.69 56.74 1s64 s MET 204 Cb 0.18 -3.26 0.06 0.00 1.25 0.00 0.00 34.83 33.06 1s64 s MET 204 CO 0.62 -0.54 0.95 0.45 1.05 0.00 0.00 175.02 177.55 1s64 s SER 205 N 1.28 4.87 0.53 1.11 0.15 -0.12 -4.87 113.70 116.66 1s64 s SER 205 Ca 0.68 0.27 0.29 0.00 0.70 0.00 0.00 55.95 57.89 1s64 s SER 205 Cb -0.40 -0.96 1.50 0.00 -1.71 0.00 0.00 66.02 64.46 1s64 s SER 205 CO 0.31 -1.52 2.08 0.10 1.20 0.00 0.00 173.24 175.41 1s64 h TYR 206 N -0.44 0.00 -0.23 3.44 -0.00 -1.94 -0.72 116.97 117.08 1s64 h TYR 206 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.30 1s64 h TYR 206 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.04 1s64 h TYR 206 CO 0.27 0.10 0.00 -0.40 -0.00 0.00 0.00 178.16 178.14 1s64 n ASP 207 N -3.55 1.79 0.00 0.10 3.85 -1.26 -4.94 116.55 112.54 1s64 n ASP 207 Ca -0.02 -1.81 0.00 0.00 -0.71 0.00 0.00 54.79 52.26 1s64 n ASP 207 Cb 0.24 -0.15 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 1s64 n ASP 207 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1s64 n ASN 208 N 0.42 0.00 -4.56 -1.12 3.02 -0.28 -4.79 115.26 107.96 1s64 n ASN 208 Ca 0.15 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.43 1s64 n ASN 208 Cb 0.33 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.62 1s64 n ASN 208 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1s64 s GLY 209 N -1.99 1.73 -0.10 7.41 0.00 -1.26 -4.21 107.32 108.91 1s64 s GLY 209 Ca 0.00 -1.20 -0.03 0.00 0.00 0.00 0.00 44.72 43.49 1s64 s GLY 209 CO 0.00 -0.61 0.02 1.08 0.00 0.00 0.00 173.10 173.59 1s64 s LEU 210 N -5.50 3.67 0.53 0.66 1.02 -1.26 -0.94 118.68 116.85 1s64 s LEU 210 Ca 0.67 0.16 0.07 0.00 0.02 0.00 0.00 54.13 55.06 1s64 s LEU 210 Cb -0.07 -1.85 0.04 0.00 0.02 0.00 0.00 46.19 44.33 1s64 s LEU 210 CO 0.48 0.36 0.52 0.00 0.02 0.00 0.00 176.35 177.73 1s64 s ALA 211 N -0.76 4.45 0.33 4.21 0.00 -0.57 -1.05 121.76 128.38 1s64 s ALA 211 Ca 0.12 -1.64 0.25 0.00 0.00 0.00 0.00 51.96 50.69 1s64 s ALA 211 Cb -0.12 -1.01 1.24 0.00 0.00 0.00 0.00 23.12 23.24 1s64 s ALA 211 CO 0.02 -0.53 1.98 1.96 0.00 0.00 0.00 175.76 179.20 1s64 h GLN 212 N 0.63 0.00 -2.36 0.00 1.08 -1.88 -3.45 115.11 109.13 1s64 h GLN 212 Ca -0.36 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.01 1s64 h GLN 212 Cb 1.29 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.64 1s64 h GLN 212 CO 0.52 0.17 0.47 0.20 -0.95 0.00 0.00 178.83 179.25 1s64 s GLY 213 N -4.23 -0.24 0.20 3.46 0.00 -1.26 -2.16 107.32 103.09 1s64 s GLY 213 Ca -0.02 0.15 -0.32 0.00 0.00 0.00 0.00 44.72 44.53 1s64 s GLY 213 CO 0.61 0.02 1.39 0.00 0.00 0.00 0.00 173.10 175.12 1s64 n ALA 214 N -0.46 0.66 0.00 3.20 0.00 -1.26 -2.22 120.51 120.43 1s64 n ALA 214 Ca -0.06 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1s64 n ALA 214 Cb 0.61 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1s64 n ALA 214 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s64 n GLY 215 N 2.40 3.03 3.85 0.00 0.00 -1.26 -5.02 105.19 108.19 1s64 n GLY 215 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1s64 n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s64 s LEU 216 N 0.00 2.97 0.11 0.99 1.02 -0.94 -4.99 118.68 117.83 1s64 s LEU 216 Ca 0.00 1.32 -0.31 0.00 0.02 0.00 0.00 54.13 55.16 1s64 s LEU 216 Cb 0.00 -4.16 -0.09 0.00 0.02 0.00 0.00 46.19 41.96 1s64 s LEU 216 CO 0.00 -1.35 1.66 -0.70 0.02 0.00 0.00 176.35 175.98 1s64 s GLU 217 N -5.22 4.19 0.58 1.70 2.12 -1.26 -4.67 118.70 116.14 1s64 s GLU 217 Ca 0.58 2.38 -0.20 0.00 0.36 0.00 0.00 54.97 58.09 1s64 s GLU 217 Cb -0.12 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 1s64 s GLU 217 CO 0.53 -0.72 1.33 -1.54 -0.54 0.00 0.00 175.26 174.33 1s64 s SER 218 N 2.09 5.04 0.01 -1.70 1.04 -1.26 -4.45 113.70 114.46 1s64 s SER 218 Ca 0.74 2.71 -0.07 0.00 0.48 0.00 0.00 55.95 59.80 1s64 s SER 218 Cb -0.42 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.07 1s64 s SER 218 CO 0.33 -1.72 0.14 -2.28 0.98 0.00 0.00 173.24 170.68 1s64 s HIS 219 N -1.34 0.05 0.34 5.02 2.46 -0.22 -4.82 115.29 116.77 1s64 s HIS 219 Ca 0.76 -0.16 0.02 0.00 0.47 0.00 0.00 55.06 56.15 1s64 s HIS 219 Cb -0.39 -0.05 0.61 0.00 -0.13 0.00 0.00 32.58 32.62 1s64 s HIS 219 CO 0.44 -0.29 1.97 0.78 -2.47 0.00 0.00 174.74 175.17 1s64 h GLY 220 N 4.22 1.04 0.70 1.59 0.00 -0.21 -0.26 103.07 110.16 1s64 h GLY 220 Ca -0.31 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 46.62 1s64 h GLY 220 CO 0.41 0.31 -0.11 -1.33 0.00 0.00 0.00 176.54 175.82 1s64 h GLY 221 N 0.91 0.30 1.89 4.60 0.00 -1.91 -2.12 103.07 106.73 1s64 h GLY 221 Ca 0.30 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1s64 h GLY 221 CO -0.09 0.27 -0.47 1.48 0.00 0.00 0.00 176.54 177.74 1s64 h SER 222 N -0.11 0.13 -0.49 0.19 4.64 -1.76 -0.92 113.55 115.23 1s64 h SER 222 Ca 0.02 -0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1s64 h SER 222 Cb 0.62 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 1s64 h SER 222 CO 0.03 0.58 0.07 0.74 -0.87 0.00 0.00 176.83 177.37 1s64 h THR 223 N 0.10 1.25 -0.07 2.95 2.02 -1.04 0.61 112.91 118.73 1s64 h THR 223 Ca 0.00 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 1s64 h THR 223 Cb 0.87 0.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1s64 h THR 223 CO 0.07 0.34 0.04 0.15 0.37 0.00 0.00 175.52 176.49 1s64 h PHE 224 N 0.69 0.10 -0.58 3.16 3.57 -1.05 -0.69 116.94 122.14 1s64 h PHE 224 Ca 0.15 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.71 1s64 h PHE 224 Cb 0.42 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 1s64 h PHE 224 CO 0.03 0.13 0.29 0.00 -2.23 0.00 0.00 178.31 176.53 1s64 h GLY 226 N 0.54 -0.15 0.90 0.00 0.00 -0.71 -1.69 103.07 101.97 1s64 h GLY 226 Ca 0.27 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 1s64 h GLY 226 CO -0.20 -0.05 0.08 -2.22 0.00 0.00 0.00 176.54 174.14 1s64 h ILE 227 N -0.40 1.14 -0.98 2.60 1.08 -0.91 -2.21 117.51 117.83 1s64 h ILE 227 Ca -0.01 -0.42 0.01 0.00 -0.39 0.00 0.00 64.86 64.04 1s64 h ILE 227 Cb 0.33 1.10 -0.05 0.00 -3.07 0.00 0.00 36.82 35.14 1s64 h ILE 227 CO 0.02 0.14 0.65 0.00 -0.69 0.00 0.00 178.15 178.27 1s64 h ALA 228 N 0.93 1.25 -0.43 1.87 0.00 -0.67 -0.80 119.26 121.41 1s64 h ALA 228 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s64 h ALA 228 Cb 0.15 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1s64 h ALA 228 CO -0.01 0.62 0.25 0.77 0.00 0.00 0.00 179.25 180.89 1s64 h SER 229 N 1.32 0.52 -0.68 0.00 0.02 -1.10 0.06 113.55 113.69 1s64 h SER 229 Ca 0.36 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1s64 h SER 229 Cb -0.14 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 1s64 h SER 229 CO -0.08 0.44 0.31 -0.07 -1.14 0.00 0.00 176.83 176.28 1s64 h LEU 230 N 0.56 0.90 -0.53 5.07 3.38 -0.82 -1.30 115.31 122.58 1s64 h LEU 230 Ca 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1s64 h LEU 230 Cb 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1s64 h LEU 230 CO -0.03 0.79 0.29 0.00 0.09 0.00 0.00 178.44 179.58 1s64 h LEU 232 N 0.70 0.41 0.00 0.00 4.07 -0.66 0.76 115.31 120.60 1s64 h LEU 232 Ca 0.19 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.13 1s64 h LEU 232 Cb 0.05 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.69 1s64 h LEU 232 CO -0.03 0.33 -0.18 0.23 -1.08 0.00 0.00 178.44 177.71 1s64 n MET 233 N -4.46 0.12 -3.06 1.13 2.81 -0.52 -4.93 117.12 108.22 1s64 n MET 233 Ca 0.02 0.08 -0.14 0.00 -1.81 0.00 0.00 57.70 55.85 1s64 n MET 233 Cb 0.09 -1.62 0.04 0.00 -0.71 0.00 0.00 33.22 31.02 1s64 n MET 233 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1s64 n GLY 234 N 1.42 0.05 0.41 3.03 0.00 0.31 -4.94 105.19 105.47 1s64 n GLY 234 Ca 0.06 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1s64 n GLY 234 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s64 n LYS 235 N -3.08 0.49 0.22 1.61 5.02 -0.28 -4.88 118.16 117.26 1s64 n LYS 235 Ca -0.01 -1.67 -0.16 0.00 -2.02 0.00 0.00 58.31 54.45 1s64 n LYS 235 Cb 0.54 -0.85 -0.08 0.00 -0.02 0.00 0.00 35.03 34.62 1s64 n LYS 235 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1s64 h LEU 236 N 0.09 -1.21 -1.36 -0.35 6.46 -1.90 -1.05 115.31 116.00 1s64 h LEU 236 Ca -0.01 0.11 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1s64 h LEU 236 Cb 1.28 0.42 -0.04 0.00 -0.73 0.00 0.00 40.66 41.59 1s64 h LEU 236 CO 0.01 -0.56 0.45 -0.33 -0.62 0.00 0.00 178.44 177.38 1s64 h GLU 237 N -0.82 0.84 -0.16 1.25 4.39 -1.90 -2.14 114.58 116.04 1s64 h GLU 237 Ca -0.03 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.48 1s64 h GLU 237 Cb 0.75 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1s64 h GLU 237 CO -0.12 0.55 -0.52 1.49 -1.16 0.00 0.00 179.01 179.26 1s64 h GLU 238 N 0.86 0.45 0.19 2.33 4.81 -1.83 -3.34 114.58 118.06 1s64 h GLU 238 Ca 0.26 -0.27 -0.33 0.00 -0.13 0.00 0.00 59.36 58.89 1s64 h GLU 238 Cb -0.00 0.03 0.02 0.00 0.63 0.00 0.00 28.75 29.42 1s64 h GLU 238 CO -0.07 0.86 -1.58 0.28 -0.73 0.00 0.00 179.01 177.77 1s64 h VAL 239 N 0.35 1.07 -3.58 0.32 2.07 -0.88 -3.46 116.25 112.15 1s64 h VAL 239 Ca 0.01 -2.55 -0.67 0.00 0.82 0.00 0.00 66.70 64.32 1s64 h VAL 239 Cb 1.03 2.86 -0.22 0.00 -1.52 0.00 0.00 31.29 33.44 1s64 h VAL 239 CO 0.09 0.82 -0.72 -0.36 0.02 0.00 0.00 177.57 177.42 1s64 s PHE 240 N -2.56 2.89 0.89 1.57 2.99 -0.83 -5.08 117.98 117.85 1s64 s PHE 240 Ca -0.15 -0.22 -0.12 0.00 0.00 0.00 0.00 56.93 56.44 1s64 s PHE 240 Cb 0.05 -1.78 0.13 0.00 0.00 0.00 0.00 43.02 41.41 1s64 s PHE 240 CO 0.87 0.11 1.10 -1.54 -0.00 0.00 0.00 175.22 175.76 1s64 s SER 241 N -0.30 3.60 0.23 1.36 1.04 -1.26 -4.62 113.70 113.76 1s64 s SER 241 Ca 0.04 1.25 -0.07 0.00 0.48 0.00 0.00 55.95 57.64 1s64 s SER 241 Cb -0.13 -1.92 0.22 0.00 0.10 0.00 0.00 66.02 64.30 1s64 s SER 241 CO 0.03 -2.53 1.90 -0.08 0.98 0.00 0.00 173.24 173.54 1s64 h GLU 242 N -1.48 1.22 -0.53 4.02 4.81 -1.99 0.47 114.58 121.12 1s64 h GLU 242 Ca -0.50 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 1s64 h GLU 242 Cb 1.30 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 1s64 h GLU 242 CO 0.58 0.83 0.26 -0.22 -0.73 0.00 0.00 179.01 179.73 1s64 h LYS 243 N 1.25 0.75 -0.18 1.92 1.63 -1.99 -0.92 116.57 119.03 1s64 h LYS 243 Ca 0.33 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 60.02 1s64 h LYS 243 Cb -0.11 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.37 1s64 h LYS 243 CO -0.07 0.62 0.09 0.93 -3.45 0.00 0.00 179.45 177.57 1s64 h GLU 244 N 0.70 0.27 -0.27 1.90 5.08 -1.75 -1.92 114.58 118.58 1s64 h GLU 244 Ca 0.18 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1s64 h GLU 244 Cb 0.11 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1s64 h GLU 244 CO -0.02 0.30 0.14 -0.07 -1.00 0.00 0.00 179.01 178.36 1s64 h LEU 245 N 0.16 0.33 -0.75 1.33 3.38 -0.72 -0.70 115.31 118.35 1s64 h LEU 245 Ca 0.06 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1s64 h LEU 245 Cb 0.13 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1s64 h LEU 245 CO -0.01 0.28 -0.12 0.78 0.09 0.00 0.00 178.44 179.46 1s64 h ASN 246 N 0.38 0.82 -0.36 -0.43 2.35 -0.73 0.01 115.58 117.62 1s64 h ASN 246 Ca 0.10 -0.26 -0.11 0.00 -0.55 0.00 0.00 56.30 55.48 1s64 h ASN 246 Cb 0.03 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1s64 h ASN 246 CO -0.01 0.96 -0.20 0.03 -1.65 0.00 0.00 177.43 176.55 1s64 h ARG 247 N 0.74 0.76 -0.50 0.81 3.08 -0.49 -1.82 114.38 116.97 1s64 h ARG 247 Ca 0.12 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.79 1s64 h ARG 247 Cb 0.62 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1s64 h ARG 247 CO 0.04 0.96 0.17 0.82 -1.07 0.00 0.00 179.97 180.89 1s64 h ILE 248 N 0.55 1.22 -0.75 2.04 2.04 -0.99 -1.10 117.51 120.53 1s64 h ILE 248 Ca 0.08 -0.74 0.03 0.00 1.00 0.00 0.00 64.86 65.23 1s64 h ILE 248 Cb 0.75 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 1s64 h ILE 248 CO 0.06 0.27 0.48 0.11 0.00 0.00 0.00 178.15 179.07 1s64 h LYS 249 N 0.67 0.91 -0.38 2.37 1.57 -0.91 -0.34 116.57 120.45 1s64 h LYS 249 Ca 0.16 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1s64 h LYS 249 Cb 0.25 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1s64 h LYS 249 CO -0.01 0.60 0.22 -0.09 -0.57 0.00 0.00 179.45 179.61 1s64 h ARG 250 N 0.94 0.52 -0.36 3.15 9.65 -0.97 -0.25 114.38 127.07 1s64 h ARG 250 Ca 0.30 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 1s64 h ARG 250 Cb -0.00 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 1s64 h ARG 250 CO -0.10 0.41 0.24 2.35 2.80 0.00 0.00 179.97 185.66 1s64 h TRP 251 N 0.50 0.45 0.21 2.20 7.01 -0.57 -2.37 115.95 123.38 1s64 h TRP 251 Ca 0.14 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 1s64 h TRP 251 Cb 0.02 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 26.93 1s64 h TRP 251 CO -0.03 0.28 -0.10 0.00 -2.79 0.00 0.00 178.44 175.80 1s64 h ILE 253 N -0.47 0.00 0.00 0.00 2.10 -1.03 0.47 117.51 118.59 1s64 h ILE 253 Ca -0.03 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.75 1s64 h ILE 253 Cb 0.36 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 1s64 h ILE 253 CO 0.05 0.00 0.00 0.23 -1.08 0.00 0.00 178.15 177.35 1s64 n MET 254 N -2.64 0.09 0.23 2.19 2.81 -0.90 -3.25 117.12 115.65 1s64 n MET 254 Ca -0.01 0.05 0.15 0.00 -1.81 0.00 0.00 57.70 56.08 1s64 n MET 254 Cb 0.15 -1.50 0.48 0.00 -0.71 0.00 0.00 33.22 31.64 1s64 n MET 254 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1s64 h ARG 255 N 0.00 0.00 -6.31 0.03 2.47 -0.93 -3.44 114.38 106.20 1s64 h ARG 255 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 1s64 h ARG 255 Cb 0.40 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.69 1s64 h ARG 255 CO 0.00 0.00 0.57 -1.14 0.56 0.00 0.00 179.97 179.96 1s64 s GLN 256 N -3.44 4.42 -0.12 0.04 0.74 -1.20 -2.48 119.66 117.62 1s64 s GLN 256 Ca 0.04 1.49 -0.01 0.00 0.05 0.00 0.00 55.36 56.93 1s64 s GLN 256 Cb 0.08 -3.52 -0.07 0.00 1.10 0.00 0.00 33.01 30.59 1s64 s GLN 256 CO 0.57 -0.31 -0.12 1.04 -0.55 0.00 0.00 175.29 175.92 1s64 n GLN 257 N 4.85 0.29 0.13 1.67 1.13 -1.26 -4.97 117.38 119.22 1s64 n GLN 257 Ca 0.09 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 1s64 n GLN 257 Cb 0.48 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.67 1s64 n GLN 257 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1s64 n ASN 258 N -3.03 -2.34 -0.48 1.08 0.23 -1.26 -5.07 115.26 104.39 1s64 n ASN 258 Ca -0.22 0.56 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 1s64 n ASN 258 Cb 0.71 2.36 0.00 0.00 -2.08 0.00 0.00 39.78 40.77 1s64 n ASN 258 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1s64 n GLY 259 N -1.44 1.54 3.31 4.83 0.00 -1.26 -2.38 105.19 109.80 1s64 n GLY 259 Ca 0.00 -1.94 -0.27 0.00 0.00 0.00 0.00 46.02 43.81 1s64 n GLY 259 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1s64 s TYR 260 N 1.87 2.05 0.36 1.61 1.51 -1.26 -4.44 117.35 119.04 1s64 s TYR 260 Ca 0.00 -0.39 0.08 0.00 -1.01 0.00 0.00 57.07 55.74 1s64 s TYR 260 Cb 0.00 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 1s64 s TYR 260 CO 0.00 0.17 0.26 -3.38 -1.11 0.00 0.00 175.55 171.50 1s64 s HIS 261 N -0.92 2.78 -0.37 2.71 -3.43 -1.04 -1.15 115.29 113.87 1s64 s HIS 261 Ca 0.10 -0.39 0.23 0.00 -0.80 0.00 0.00 55.06 54.20 1s64 s HIS 261 Cb -0.10 -1.85 0.20 0.00 -1.43 0.00 0.00 32.58 29.40 1s64 s HIS 261 CO 0.03 0.16 1.32 0.78 -2.00 0.00 0.00 174.74 175.03 1s64 h GLY 262 N 1.29 0.00 -3.52 -1.38 0.00 -1.87 -3.45 103.07 94.14 1s64 h GLY 262 Ca -0.44 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 1s64 h GLY 262 CO 0.60 0.00 0.25 1.09 0.00 0.00 0.00 176.54 178.48 1s64 s ARG 263 N -3.28 1.11 0.23 4.80 1.70 -1.26 0.53 118.95 122.78 1s64 s ARG 263 Ca 0.03 -0.13 -0.29 0.00 -0.47 0.00 0.00 55.73 54.88 1s64 s ARG 263 Cb 0.08 0.52 -0.16 0.00 -0.57 0.00 0.00 34.95 34.82 1s64 s ARG 263 CO 0.73 -0.43 0.76 -2.30 -1.08 0.00 0.00 175.30 172.99 1s64 n PRO 264 N 0.21 0.60 -1.98 3.89 -0.02 -1.26 -2.30 135.00 134.15 1s64 n PRO 264 Ca -0.17 0.21 -0.20 0.00 -2.02 0.00 0.00 63.50 61.32 1s64 n PRO 264 Cb 0.61 -1.40 -0.05 0.00 -0.02 0.00 0.00 33.50 32.64 1s64 n PRO 264 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1s64 n ASN 265 N 1.68 -5.58 -4.49 2.55 3.02 -1.26 -5.01 115.26 106.18 1s64 n ASN 265 Ca 0.15 0.26 -0.30 0.00 -0.03 0.00 0.00 54.58 54.66 1s64 n ASN 265 Cb 0.27 -4.79 -0.11 0.00 -0.61 0.00 0.00 39.78 34.53 1s64 n ASN 265 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1s64 s LYS 266 N -4.35 1.83 0.59 3.52 -0.14 -0.97 -5.12 119.74 115.10 1s64 s LYS 266 Ca 0.00 -1.15 -0.19 0.00 -1.36 0.00 0.00 55.97 53.28 1s64 s LYS 266 Cb 0.00 -2.13 -0.04 0.00 -1.68 0.00 0.00 37.83 33.98 1s64 s LYS 266 CO 0.00 0.49 1.18 -1.25 -0.76 0.00 0.00 175.35 175.01 1s64 s PRO 267 N -2.05 3.04 0.74 -1.68 0.04 -1.26 -4.77 135.00 129.06 1s64 s PRO 267 Ca 0.18 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 62.81 1s64 s PRO 267 Cb -0.11 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.53 1s64 s PRO 267 CO 0.10 -1.12 1.13 0.14 0.04 0.00 0.00 177.00 177.28 1s64 s VAL 268 N -1.72 2.94 -0.09 -0.36 -7.23 -1.26 -4.57 120.40 108.11 1s64 s VAL 268 Ca 0.75 0.38 -0.04 0.00 -1.81 0.00 0.00 61.98 61.26 1s64 s VAL 268 Cb -0.28 -2.84 0.05 0.00 0.56 0.00 0.00 36.38 33.87 1s64 s VAL 268 CO 0.32 -0.32 0.20 -0.62 -0.31 0.00 0.00 175.10 174.37 1s64 s ASP 269 N -2.74 0.01 0.29 4.85 -1.08 -0.30 -4.83 116.67 112.87 1s64 s ASP 269 Ca 0.67 0.44 -0.01 0.00 -0.52 0.00 0.00 52.55 53.13 1s64 s ASP 269 Cb -0.21 0.36 0.66 0.00 -1.46 0.00 0.00 42.92 42.27 1s64 s ASP 269 CO 0.49 -0.18 1.51 0.41 0.52 0.00 0.00 175.17 177.91 1s64 n THR 270 N 4.53 -0.40 0.26 1.71 -1.04 -0.79 -1.06 114.28 117.49 1s64 n THR 270 Ca -0.20 2.14 0.18 0.00 -2.04 0.00 0.00 64.05 64.13 1s64 n THR 270 Cb 0.52 -3.08 0.92 0.00 -1.82 0.00 0.00 70.33 66.86 1s64 n THR 270 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s64 h TYR 272 N 0.00 0.00 0.00 0.00 0.05 -1.33 -1.18 116.97 114.51 1s64 h TYR 272 Ca 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1s64 h TYR 272 Cb 0.33 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 1s64 h TYR 272 CO 0.00 0.00 -0.04 0.77 -1.05 0.00 0.00 178.16 177.84 1s64 h SER 273 N 0.00 0.00 0.00 3.88 0.02 -1.24 0.44 113.55 116.65 1s64 h SER 273 Ca 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 1s64 h SER 273 Cb 0.47 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 1s64 h SER 273 CO 0.00 0.04 -1.95 0.33 -1.14 0.00 0.00 176.83 174.11 1s64 n PHE 274 N -3.67 0.26 -0.07 3.45 7.35 -0.51 -2.91 117.46 121.36 1s64 n PHE 274 Ca -0.03 0.11 -0.10 0.00 -0.76 0.00 0.00 57.45 56.68 1s64 n PHE 274 Cb 0.14 -0.93 -0.04 0.00 0.35 0.00 0.00 39.48 39.00 1s64 n PHE 274 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1s64 h TRP 275 N -1.00 -1.04 0.03 -5.13 4.06 -1.24 0.66 115.95 112.30 1s64 h TRP 275 Ca -0.49 0.05 -0.07 0.00 2.06 0.00 0.00 58.89 60.44 1s64 h TRP 275 Cb 1.40 0.50 0.01 0.00 -1.00 0.00 0.00 29.16 30.06 1s64 h TRP 275 CO -0.11 -0.42 -0.30 0.28 -3.56 0.00 0.00 178.44 174.33 1s64 h VAL 276 N -0.35 1.61 -0.69 1.49 2.07 -1.13 -3.06 116.25 116.18 1s64 h VAL 276 Ca 0.13 -2.19 0.10 0.00 0.82 0.00 0.00 66.70 65.56 1s64 h VAL 276 Cb 0.57 3.04 -0.08 0.00 -1.52 0.00 0.00 31.29 33.31 1s64 h VAL 276 CO -0.48 0.60 0.31 1.23 0.02 0.00 0.00 177.57 179.25 1s64 h GLY 277 N -0.62 1.02 1.74 2.17 0.00 -1.40 0.93 103.07 106.91 1s64 h GLY 277 Ca -0.05 -0.18 -0.07 0.00 0.00 0.00 0.00 47.33 47.03 1s64 h GLY 277 CO 0.06 0.01 -0.22 0.00 0.00 0.00 0.00 176.54 176.39 1s64 h ALA 278 N 1.45 1.31 -0.22 3.60 0.00 0.22 -0.03 119.26 125.58 1s64 h ALA 278 Ca 0.35 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1s64 h ALA 278 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1s64 h ALA 278 CO -0.30 0.47 -0.08 1.15 0.00 0.00 0.00 179.25 180.49 1s64 h THR 279 N 0.28 1.29 -0.89 0.00 2.02 -1.01 -0.67 112.91 113.93 1s64 h THR 279 Ca 0.05 -1.11 0.01 0.00 0.77 0.00 0.00 66.41 66.13 1s64 h THR 279 Cb 0.55 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.47 1s64 h THR 279 CO 0.04 0.34 0.59 -0.07 0.37 0.00 0.00 175.52 176.79 1s64 h LEU 280 N 0.17 1.02 -0.57 2.58 3.38 -0.47 0.09 115.31 121.50 1s64 h LEU 280 Ca 0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1s64 h LEU 280 Cb 0.55 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1s64 h LEU 280 CO 0.03 0.73 0.11 0.50 0.09 0.00 0.00 178.44 179.90 1s64 h LYS 281 N 1.20 0.94 0.00 1.13 1.63 -0.77 -0.52 116.57 120.19 1s64 h LYS 281 Ca 0.33 -0.24 -0.06 0.00 -0.85 0.00 0.00 60.65 59.83 1s64 h LYS 281 Cb -0.12 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 1s64 h LYS 281 CO -0.07 0.89 -0.28 -0.07 -3.45 0.00 0.00 179.45 176.47 1s64 h LEU 282 N 0.84 0.00 -1.41 5.20 3.38 -0.13 -1.47 115.31 121.72 1s64 h LEU 282 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1s64 h LEU 282 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1s64 h LEU 282 CO 0.01 0.28 0.00 0.18 0.09 0.00 0.00 178.44 178.99 1s64 n LEU 283 N -4.03 2.09 -2.25 1.67 4.77 -0.08 -4.94 117.00 114.23 1s64 n LEU 283 Ca -0.02 -0.96 -0.20 0.00 -0.03 0.00 0.00 56.01 54.80 1s64 n LEU 283 Cb 0.34 -0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1s64 n LEU 283 CO 0.36 0.48 -0.25 0.29 -1.33 0.00 0.00 177.39 176.94 1s64 n LYS 284 N 0.61 -1.59 -0.13 3.23 5.02 -0.49 -4.88 118.16 119.94 1s64 n LYS 284 Ca 0.15 0.99 0.02 0.00 -2.02 0.00 0.00 58.31 57.45 1s64 n LYS 284 Cb 0.36 -5.59 0.03 0.00 -0.02 0.00 0.00 35.03 29.81 1s64 n LYS 284 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1s64 n ILE 285 N -3.92 0.66 0.16 -0.18 -5.35 -0.32 -4.72 119.36 105.68 1s64 n ILE 285 Ca -0.24 -0.73 0.04 0.00 -0.27 0.00 0.00 62.75 61.55 1s64 n ILE 285 Cb 0.68 0.49 0.44 0.00 -1.74 0.00 0.00 39.64 39.51 1s64 n ILE 285 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 1s64 h PHE 286 N 0.00 0.16 -0.06 4.28 3.57 -1.80 -1.72 116.94 121.37 1s64 h PHE 286 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.50 1s64 h PHE 286 Cb 0.96 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 1s64 h PHE 286 CO 0.02 0.29 0.17 -0.56 -2.23 0.00 0.00 178.31 176.00 1s64 h GLN 287 N 0.15 0.00 -0.22 1.11 3.07 -1.89 -1.10 115.11 116.23 1s64 h GLN 287 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 1s64 h GLN 287 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.89 1s64 h GLN 287 CO 0.02 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.60 1s64 n TYR 288 N -3.27 0.27 -2.22 0.06 0.53 -0.64 -4.93 117.16 106.96 1s64 n TYR 288 Ca -0.01 -0.14 -0.26 0.00 -1.02 0.00 0.00 57.90 56.47 1s64 n TYR 288 Cb 0.25 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.63 1s64 n TYR 288 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 1s64 s THR 289 N -1.73 2.26 -0.52 -0.72 -4.23 -0.42 -5.02 115.64 105.27 1s64 s THR 289 Ca 0.34 -0.28 -0.23 0.00 -1.18 0.00 0.00 61.69 60.34 1s64 s THR 289 Cb 0.20 -2.98 0.04 0.00 1.34 0.00 0.00 72.50 71.10 1s64 s THR 289 CO 0.29 0.00 0.82 0.21 -0.54 0.00 0.00 174.62 175.40 1s64 s ASN 290 N -4.54 6.32 0.06 3.99 3.84 -1.26 -4.94 114.94 118.42 1s64 s ASN 290 Ca 0.61 -0.45 -0.20 0.00 0.21 0.00 0.00 52.86 53.03 1s64 s ASN 290 Cb -0.10 -2.39 -0.11 0.00 -0.55 0.00 0.00 41.25 38.10 1s64 s ASN 290 CO 0.45 -1.07 1.48 -0.26 -2.79 0.00 0.00 177.10 174.91 1s64 h PHE 291 N 9.15 0.37 -0.14 0.43 0.05 -1.95 -3.21 116.94 121.65 1s64 h PHE 291 Ca -0.26 -0.07 0.03 0.00 3.82 0.00 0.00 57.97 61.48 1s64 h PHE 291 Cb 1.08 -0.09 -0.02 0.00 2.00 0.00 0.00 35.95 38.91 1s64 h PHE 291 CO 0.84 0.56 -0.02 1.49 -0.18 0.00 0.00 178.31 181.00 1s64 h GLU 292 N 0.07 0.01 -0.06 1.51 4.57 -1.97 -0.19 114.58 118.53 1s64 h GLU 292 Ca 0.05 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 1s64 h GLU 292 Cb 0.42 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1s64 h GLU 292 CO 0.01 0.01 -0.23 0.87 -1.18 0.00 0.00 179.01 178.49 1s64 h LYS 293 N 0.02 0.10 -0.01 1.92 1.57 -1.85 0.87 116.57 119.19 1s64 h LYS 293 Ca 0.07 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1s64 h LYS 293 Cb 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1s64 h LYS 293 CO -0.13 0.33 -0.02 -0.97 -0.57 0.00 0.00 179.45 178.08 1s64 h ASN 294 N 0.09 0.04 -0.56 0.86 -1.24 -1.14 -2.06 115.58 111.57 1s64 h ASN 294 Ca 0.02 -0.59 0.03 0.00 0.71 0.00 0.00 56.30 56.47 1s64 h ASN 294 Cb 0.46 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.46 1s64 h ASN 294 CO 0.03 0.62 0.34 -0.09 -1.29 0.00 0.00 177.43 177.03 1s64 h ARG 295 N -0.54 0.64 -0.61 6.67 2.43 -0.82 -0.87 114.38 121.28 1s64 h ARG 295 Ca 0.00 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1s64 h ARG 295 Cb 0.61 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 1s64 h ARG 295 CO 0.00 0.43 0.37 -0.97 -1.51 0.00 0.00 179.97 178.29 1s64 h ASN 296 N 0.66 0.61 0.15 -3.80 -1.24 -0.84 -1.58 115.58 109.53 1s64 h ASN 296 Ca 0.23 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 1s64 h ASN 296 Cb 0.03 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 38.96 1s64 h ASN 296 CO -0.10 0.42 -0.07 0.22 -1.29 0.00 0.00 177.43 176.61 1s64 h TYR 297 N 0.73 -0.18 -0.23 0.67 3.20 -0.82 -1.99 116.97 118.36 1s64 h TYR 297 Ca 0.25 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.17 1s64 h TYR 297 Cb 0.03 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.29 1s64 h TYR 297 CO -0.06 0.05 -0.26 0.82 -1.64 0.00 0.00 178.16 177.08 1s64 h ILE 298 N -0.40 0.36 0.00 1.81 2.04 -1.01 -0.74 117.51 119.57 1s64 h ILE 298 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1s64 h ILE 298 Cb 0.32 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1s64 h ILE 298 CO 0.03 0.00 -0.05 -0.07 0.00 0.00 0.00 178.15 178.07 1s64 h LEU 299 N -0.28 0.00 -0.10 1.44 3.38 -1.28 -1.44 115.31 117.03 1s64 h LEU 299 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1s64 h LEU 299 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1s64 h LEU 299 CO -0.39 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 176.65 1s64 n SER 300 N -4.08 0.12 -1.12 -0.43 3.41 -0.30 -2.00 113.62 109.22 1s64 n SER 300 Ca -0.03 0.53 0.10 0.00 -0.26 0.00 0.00 58.87 59.21 1s64 n SER 300 Cb 0.13 -0.55 0.25 0.00 -0.26 0.00 0.00 64.21 63.78 1s64 n SER 300 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1s64 n THR 301 N -1.63 0.81 -2.43 6.66 -2.24 -0.54 -4.26 114.28 110.65 1s64 n THR 301 Ca 0.04 -0.91 -0.41 0.00 -2.27 0.00 0.00 64.05 60.51 1s64 n THR 301 Cb 0.22 0.68 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 1s64 n THR 301 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1s64 s GLN 302 N -1.14 4.58 -0.56 -0.78 0.74 -0.85 -0.87 119.66 120.79 1s64 s GLN 302 Ca 0.39 1.84 -0.18 0.00 0.05 0.00 0.00 55.36 57.46 1s64 s GLN 302 Cb 0.21 -3.20 0.09 0.00 1.10 0.00 0.00 33.01 31.22 1s64 s GLN 302 CO 0.29 0.11 0.64 0.34 -0.55 0.00 0.00 175.29 176.11 1s64 s ASP 303 N -0.56 6.19 0.39 6.67 -1.08 -0.60 -4.86 116.67 122.81 1s64 s ASP 303 Ca 0.47 -1.36 0.28 0.00 -0.52 0.00 0.00 52.55 51.42 1s64 s ASP 303 Cb -0.32 -2.28 1.35 0.00 -1.46 0.00 0.00 42.92 40.21 1s64 s ASP 303 CO 0.40 -1.00 1.84 0.03 0.52 0.00 0.00 175.17 176.96 1s64 h ARG 304 N 9.08 0.00 0.00 4.34 3.08 -1.88 0.19 114.38 129.19 1s64 h ARG 304 Ca -0.29 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.64 1s64 h ARG 304 Cb 1.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 1s64 h ARG 304 CO 1.05 0.00 -1.07 -0.11 -1.07 0.00 0.00 179.97 178.77 1s64 n LEU 305 N -2.50 1.87 0.02 3.04 -0.00 -1.26 -4.64 117.00 113.51 1s64 n LEU 305 Ca -0.00 0.48 0.11 0.00 -0.00 0.00 0.00 56.01 56.60 1s64 n LEU 305 Cb 0.14 -0.87 -0.02 0.00 -0.00 0.00 0.00 43.42 42.67 1s64 n LEU 305 CO 0.17 -0.10 -0.09 1.33 -0.00 0.00 0.00 177.39 178.70 1s64 n VAL 306 N -4.49 0.10 -0.17 1.96 0.24 -1.24 -5.09 118.33 109.65 1s64 n VAL 306 Ca -0.21 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 1s64 n VAL 306 Cb 0.51 0.35 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 1s64 n VAL 306 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1s64 n GLY 307 N 1.39 -3.30 0.35 7.63 0.00 0.67 -4.48 105.19 107.46 1s64 n GLY 307 Ca 0.02 -1.85 0.05 0.00 0.00 0.00 0.00 46.02 44.23 1s64 n GLY 307 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s64 n GLY 308 N -0.40 -1.72 3.31 -0.02 0.00 -1.26 -4.28 105.19 100.81 1s64 n GLY 308 Ca 0.00 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.36 1s64 n GLY 308 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s64 s PHE 309 N -1.74 1.84 0.56 1.61 0.40 -1.26 -1.56 117.98 117.84 1s64 s PHE 309 Ca 0.00 -0.43 0.06 0.00 -0.60 0.00 0.00 56.93 55.96 1s64 s PHE 309 Cb 0.00 -0.97 0.05 0.00 0.51 0.00 0.00 43.02 42.61 1s64 s PHE 309 CO 0.00 0.26 0.48 0.00 0.70 0.00 0.00 175.22 176.66 1s64 s ALA 310 N -1.48 4.54 0.05 5.36 0.00 -0.05 -2.68 121.76 127.50 1s64 s ALA 310 Ca 0.10 -1.33 0.09 0.00 0.00 0.00 0.00 51.96 50.83 1s64 s ALA 310 Cb -0.08 -0.84 -0.20 0.00 0.00 0.00 0.00 23.12 22.00 1s64 s ALA 310 CO 0.05 -0.55 1.08 1.57 0.00 0.00 0.00 175.76 177.92 1s64 h LYS 311 N 0.61 0.00 -5.14 0.00 2.10 -1.87 -3.41 116.57 108.86 1s64 h LYS 311 Ca -0.35 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 57.96 1s64 h LYS 311 Cb 1.30 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.49 1s64 h LYS 311 CO 0.54 0.80 -0.72 -1.58 -2.00 0.00 0.00 179.45 176.49 1s64 s TRP 312 N -2.69 1.31 0.53 0.07 0.51 -1.26 -1.89 118.94 115.52 1s64 s TRP 312 Ca -0.01 -0.72 -0.21 0.00 -2.12 0.00 0.00 56.10 53.04 1s64 s TRP 312 Cb 0.09 -0.66 -0.05 0.00 -0.81 0.00 0.00 33.47 32.04 1s64 s TRP 312 CO 0.82 0.11 1.24 -1.25 -0.51 0.00 0.00 176.95 177.36 1s64 s PRO 313 N -3.62 3.32 -1.56 4.98 0.04 -1.26 -2.92 135.00 133.98 1s64 s PRO 313 Ca 0.16 1.93 -0.05 0.00 0.04 0.00 0.00 61.00 63.08 1s64 s PRO 313 Cb 0.01 -2.20 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1s64 s PRO 313 CO 0.01 -0.96 0.64 -0.40 0.04 0.00 0.00 177.00 176.34 1s64 n ASP 314 N -1.01 -6.17 -4.46 6.66 3.85 -1.26 -4.99 116.55 109.17 1s64 n ASP 314 Ca 0.10 -0.30 -0.23 0.00 -0.71 0.00 0.00 54.79 53.65 1s64 n ASP 314 Cb 0.48 -4.98 -0.10 0.00 -1.35 0.00 0.00 41.12 35.17 1s64 n ASP 314 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1s64 s SER 315 N -2.74 3.11 0.10 -1.12 0.15 -1.15 -5.11 113.70 106.94 1s64 s SER 315 Ca 0.32 -1.16 -0.30 0.00 0.70 0.00 0.00 55.95 55.51 1s64 s SER 315 Cb -0.14 -0.23 -0.06 0.00 -1.71 0.00 0.00 66.02 63.87 1s64 s SER 315 CO 0.40 -0.24 1.20 -1.00 1.20 0.00 0.00 173.24 174.79 1s64 s HIS 316 N -2.84 3.44 0.59 3.44 3.76 -1.26 -4.68 115.29 117.74 1s64 s HIS 316 Ca 0.30 1.33 -0.13 0.00 -0.15 0.00 0.00 55.06 56.41 1s64 s HIS 316 Cb 0.02 -3.42 -0.05 0.00 1.11 0.00 0.00 32.58 30.24 1s64 s HIS 316 CO 0.13 -1.26 1.02 -1.25 -0.85 0.00 0.00 174.74 172.53 1s64 s PRO 317 N 0.71 3.60 0.17 8.40 0.04 -1.26 -4.58 135.00 142.07 1s64 s PRO 317 Ca 0.57 0.89 -0.09 0.00 0.04 0.00 0.00 61.00 62.41 1s64 s PRO 317 Cb -0.30 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.15 1s64 s PRO 317 CO 0.31 -0.57 0.30 0.16 0.04 0.00 0.00 177.00 177.24 1s64 s ASP 318 N -3.62 0.03 0.20 6.66 1.47 -1.09 -4.95 116.67 115.37 1s64 s ASP 318 Ca 0.58 -0.88 -0.10 0.00 1.18 0.00 0.00 52.55 53.33 1s64 s ASP 318 Cb -0.12 0.45 0.22 0.00 -0.34 0.00 0.00 42.92 43.13 1s64 s ASP 318 CO 0.45 -0.91 1.81 0.00 0.68 0.00 0.00 175.17 177.20 1s64 h ALA 319 N 2.52 0.85 0.14 2.11 0.00 -1.97 -1.39 119.26 121.52 1s64 h ALA 319 Ca -0.31 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1s64 h ALA 319 Cb 1.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1s64 h ALA 319 CO 0.47 0.04 -0.07 1.25 0.00 0.00 0.00 179.25 180.95 1s64 h LEU 320 N 0.67 -0.15 -1.04 0.00 6.46 -1.95 -0.84 115.31 118.46 1s64 h LEU 320 Ca 0.28 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.99 1s64 h LEU 320 Cb 0.16 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 1s64 h LEU 320 CO -0.17 -0.11 -0.27 0.45 -0.62 0.00 0.00 178.44 177.72 1s64 h HIS 321 N -0.18 0.00 -0.13 1.25 3.86 -1.76 -0.61 115.15 117.58 1s64 h HIS 321 Ca -0.02 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 1s64 h HIS 321 Cb 0.14 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1s64 h HIS 321 CO -0.07 0.27 -0.13 0.00 0.86 0.00 0.00 177.93 178.86 1s64 h ALA 322 N 1.73 0.19 -0.11 2.45 0.00 -1.04 0.58 119.26 123.05 1s64 h ALA 322 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1s64 h ALA 322 Cb 0.80 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1s64 h ALA 322 CO 0.04 0.06 0.01 -0.92 0.00 0.00 0.00 179.25 178.43 1s64 h TYR 323 N -0.08 0.20 -0.04 0.00 3.20 -0.96 -2.04 116.97 117.25 1s64 h TYR 323 Ca 0.02 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 1s64 h TYR 323 Cb 0.66 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1s64 h TYR 323 CO 0.09 0.41 -0.46 0.74 -1.64 0.00 0.00 178.16 177.30 1s64 h PHE 324 N -0.07 0.12 -0.61 -3.82 -1.00 -1.16 -0.41 116.94 109.99 1s64 h PHE 324 Ca 0.03 -0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.71 1s64 h PHE 324 Cb 0.33 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 1s64 h PHE 324 CO 0.03 0.55 0.14 0.78 -1.61 0.00 0.00 178.31 178.19 1s64 h GLY 325 N 1.34 1.06 1.01 -1.45 0.00 -0.80 0.18 103.07 104.42 1s64 h GLY 325 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 47.33 46.58 1s64 h GLY 325 CO 0.06 0.62 -0.06 -2.22 0.00 0.00 0.00 176.54 174.95 1s64 h ILE 326 N 0.89 1.27 -0.02 2.60 2.04 -1.00 -1.31 117.51 121.99 1s64 h ILE 326 Ca 0.19 -1.16 -0.07 0.00 1.00 0.00 0.00 64.86 64.83 1s64 h ILE 326 Cb 0.36 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1s64 h ILE 326 CO 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 178.15 178.24 1s64 h GLY 328 N 0.96 0.53 1.01 0.00 0.00 -0.17 -2.21 103.07 103.19 1s64 h GLY 328 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1s64 h GLY 328 CO 0.04 0.36 0.47 1.41 0.00 0.00 0.00 176.54 178.82 1s64 h LEU 329 N 0.27 0.93 -1.47 3.11 4.07 -0.81 -2.71 115.31 118.71 1s64 h LEU 329 Ca 0.08 -0.06 0.05 0.00 0.08 0.00 0.00 57.88 58.02 1s64 h LEU 329 Cb 0.43 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 1s64 h LEU 329 CO 0.01 0.72 0.41 -1.28 -1.08 0.00 0.00 178.44 177.22 1s64 h SER 330 N 1.06 0.59 -0.22 -0.43 0.87 -0.67 -1.99 113.55 112.76 1s64 h SER 330 Ca 0.28 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 1s64 h SER 330 Cb -0.05 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 1s64 h SER 330 CO -0.05 0.39 0.14 -0.07 -0.53 0.00 0.00 176.83 176.72 1s64 h LEU 331 N 0.68 0.26 -0.86 2.23 4.07 -1.06 -0.32 115.31 120.30 1s64 h LEU 331 Ca 0.26 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1s64 h LEU 331 Cb 0.17 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1s64 h LEU 331 CO -0.08 0.19 -0.23 0.23 -1.08 0.00 0.00 178.44 177.48 1s64 n MET 332 N -4.50 1.25 -2.28 1.13 2.81 -0.81 -5.02 117.12 109.71 1s64 n MET 332 Ca 0.00 -0.86 -0.04 0.00 -1.81 0.00 0.00 57.70 54.99 1s64 n MET 332 Cb 0.08 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.07 1s64 n MET 332 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1s64 n GLU 333 N -0.12 -3.22 -4.17 0.03 1.02 -0.13 -5.04 120.64 109.00 1s64 n GLU 333 Ca 0.13 2.57 -0.29 0.00 -0.02 0.00 0.00 57.16 59.56 1s64 n GLU 333 Cb 0.40 -3.90 -0.08 0.00 -0.02 0.00 0.00 31.44 27.84 1s64 n GLU 333 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1s64 s GLU 334 N -0.80 2.41 -0.29 3.49 2.56 -1.22 -4.96 118.70 119.89 1s64 s GLU 334 Ca -0.19 -0.97 -0.37 0.00 0.00 0.00 0.00 54.97 53.44 1s64 s GLU 334 Cb 0.01 -2.43 -0.13 0.00 2.00 0.00 0.00 34.13 33.59 1s64 s GLU 334 CO 0.57 0.50 2.02 0.45 -0.56 0.00 0.00 175.26 178.23 1s64 n SER 335 N 0.35 2.42 -0.42 -1.70 2.88 -1.26 -2.21 113.62 113.68 1s64 n SER 335 Ca -0.11 0.69 -0.03 0.00 -1.33 0.00 0.00 58.87 58.10 1s64 n SER 335 Cb 0.53 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1s64 n SER 335 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s64 n GLY 336 N 5.55 0.32 2.80 0.46 0.00 -1.26 -5.05 105.19 108.01 1s64 n GLY 336 Ca 0.34 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 1s64 n GLY 336 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s64 s ILE 337 N -2.28 0.68 0.72 -0.61 1.01 -0.94 -4.73 121.20 115.06 1s64 s ILE 337 Ca 0.01 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 60.10 1s64 s ILE 337 Cb -0.01 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 1s64 s ILE 337 CO 0.01 0.03 0.56 0.00 0.00 0.00 0.00 174.94 175.54 1s64 s LYS 339 N -2.80 4.18 -0.09 0.00 -0.14 -1.26 -4.84 119.74 114.78 1s64 s LYS 339 Ca 0.66 1.89 -0.02 0.00 -1.36 0.00 0.00 55.97 57.14 1s64 s LYS 339 Cb -0.35 -2.80 -0.03 0.00 -1.68 0.00 0.00 37.83 32.97 1s64 s LYS 339 CO 0.58 -0.23 -0.01 0.54 -0.76 0.00 0.00 175.35 175.47 1s64 s VAL 340 N -1.34 4.22 -0.77 3.17 0.11 -1.26 -1.10 120.40 123.43 1s64 s VAL 340 Ca 0.54 -0.28 -0.26 0.00 -2.93 0.00 0.00 61.98 59.05 1s64 s VAL 340 Cb -0.32 -2.78 0.03 0.00 -1.53 0.00 0.00 36.38 31.78 1s64 s VAL 340 CO 0.41 0.59 1.33 -2.28 -3.33 0.00 0.00 175.10 171.82 1s64 s HIS 341 N -0.70 2.27 0.51 1.54 2.46 -0.09 -4.79 115.29 116.49 1s64 s HIS 341 Ca 0.11 -0.10 0.36 0.00 0.47 0.00 0.00 55.06 55.90 1s64 s HIS 341 Cb -0.12 -4.61 1.51 0.00 -0.13 0.00 0.00 32.58 29.23 1s64 s HIS 341 CO 0.02 -2.07 1.72 -1.00 -2.47 0.00 0.00 174.74 170.94 1s64 h PRO 342 N 10.26 0.07 0.11 2.88 0.13 -1.92 -0.85 132.00 142.67 1s64 h PRO 342 Ca -0.22 -0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.56 1s64 h PRO 342 Cb 1.05 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1s64 h PRO 342 CO 1.29 0.05 -1.86 0.00 -0.23 0.00 0.00 178.00 177.25 1s64 h ALA 343 N 1.38 0.46 0.00 -0.56 0.00 -1.90 -3.37 119.26 115.27 1s64 h ALA 343 Ca 0.69 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1s64 h ALA 343 Cb 2.52 0.59 0.00 0.00 0.00 0.00 0.00 17.79 20.90 1s64 h ALA 343 CO -0.11 1.32 -0.56 1.25 0.00 0.00 0.00 179.25 181.15 1s64 h LEU 344 N 0.06 0.00 0.59 0.00 5.85 -1.87 -3.47 115.31 116.47 1s64 h LEU 344 Ca -0.37 -0.15 -0.29 0.00 0.84 0.00 0.00 57.88 57.91 1s64 h LEU 344 Cb 2.04 0.00 0.04 0.00 0.37 0.00 0.00 40.66 43.11 1s64 h LEU 344 CO 0.10 0.07 -0.44 -3.20 -0.34 0.00 0.00 178.44 174.64 1s64 n ASN 345 N -2.26 -4.86 -4.12 1.25 5.15 -0.35 -5.02 115.26 105.05 1s64 n ASN 345 Ca 0.03 -0.21 -0.08 0.00 -0.60 0.00 0.00 54.58 53.72 1s64 n ASN 345 Cb 0.46 -3.72 -0.10 0.00 -0.53 0.00 0.00 39.78 35.88 1s64 n ASN 345 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1s64 s VAL 346 N -3.00 0.33 0.66 3.44 -7.23 -1.24 -4.98 120.40 108.38 1s64 s VAL 346 Ca 0.22 -1.85 -0.17 0.00 -1.81 0.00 0.00 61.98 58.36 1s64 s VAL 346 Cb -0.10 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 1s64 s VAL 346 CO 0.27 -0.91 1.16 -1.54 -0.31 0.00 0.00 175.10 173.77 1s64 n SER 347 N 0.05 1.43 -0.22 4.85 3.41 -1.26 -0.91 113.62 120.96 1s64 n SER 347 Ca -0.13 0.78 0.06 0.00 -0.26 0.00 0.00 58.87 59.32 1s64 n SER 347 Cb 0.61 -1.49 0.33 0.00 -0.26 0.00 0.00 64.21 63.40 1s64 n SER 347 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1s64 h THR 348 N 0.26 1.02 -0.73 6.66 1.35 -1.42 -0.48 112.91 119.57 1s64 h THR 348 Ca -0.49 -0.28 0.10 0.00 -0.55 0.00 0.00 66.41 65.18 1s64 h THR 348 Cb 1.34 0.13 -0.07 0.00 -1.73 0.00 0.00 68.15 67.81 1s64 h THR 348 CO 0.51 0.15 0.36 -0.09 -0.25 0.00 0.00 175.52 176.20 1s64 h ARG 349 N 0.82 0.58 -0.06 4.72 2.43 -1.90 0.37 114.38 121.35 1s64 h ARG 349 Ca 0.34 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1s64 h ARG 349 Cb 0.28 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1s64 h ARG 349 CO -0.12 0.39 0.02 1.15 -1.51 0.00 0.00 179.97 179.89 1s64 h THR 350 N 0.60 1.17 -0.08 0.20 2.02 -1.45 -2.16 112.91 113.21 1s64 h THR 350 Ca 0.36 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1s64 h THR 350 Cb 0.41 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1s64 h THR 350 CO -0.28 0.14 0.01 0.77 0.37 0.00 0.00 175.52 176.52 1s64 h SER 351 N -0.09 0.10 0.56 4.18 4.64 -0.74 -1.08 113.55 121.12 1s64 h SER 351 Ca 0.02 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1s64 h SER 351 Cb 0.20 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1s64 h SER 351 CO -0.00 0.12 -0.38 -0.33 -0.87 0.00 0.00 176.83 175.36 1s64 h GLU 352 N 0.11 -0.88 -0.64 4.77 4.39 0.29 0.35 114.58 122.97 1s64 h GLU 352 Ca 0.03 0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.85 1s64 h GLU 352 Cb 0.07 0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 1s64 h GLU 352 CO 0.00 -0.58 0.34 -0.09 -1.16 0.00 0.00 179.01 177.52 1s64 h ARG 353 N -0.91 0.61 -0.38 2.33 2.43 -0.83 0.21 114.38 117.85 1s64 h ARG 353 Ca -0.07 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1s64 h ARG 353 Cb 0.75 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1s64 h ARG 353 CO 0.04 0.40 0.25 1.25 -1.51 0.00 0.00 179.97 180.41 1s64 h LEU 354 N 0.63 0.28 0.64 3.80 5.85 -0.89 0.67 115.31 126.29 1s64 h LEU 354 Ca 0.29 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1s64 h LEU 354 Cb 0.21 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.18 1s64 h LEU 354 CO -0.20 0.19 -0.31 0.03 -0.34 0.00 0.00 178.44 177.81 1s64 h ARG 355 N 0.32 -0.83 -0.53 1.25 -0.00 0.16 0.25 114.38 115.00 1s64 h ARG 355 Ca 0.16 0.06 0.11 0.00 -0.50 0.00 0.00 59.98 59.81 1s64 h ARG 355 Cb 0.24 0.19 -0.09 0.00 0.00 0.00 0.00 29.97 30.30 1s64 h ARG 355 CO -0.04 -0.56 -0.05 -0.44 0.00 0.00 0.00 179.97 178.89 1s64 h ASP 356 N -1.06 -0.33 -0.65 7.04 3.32 -0.50 -0.99 116.42 123.26 1s64 h ASP 356 Ca -0.09 0.14 0.10 0.00 0.02 0.00 0.00 57.03 57.20 1s64 h ASP 356 Cb 0.66 0.27 -0.07 0.00 0.22 0.00 0.00 39.33 40.40 1s64 h ASP 356 CO 0.15 -0.12 0.27 0.25 -1.72 0.00 0.00 179.24 178.06 1s64 h LEU 357 N 0.07 0.28 -0.52 1.55 6.46 0.38 -0.80 115.31 122.73 1s64 h LEU 357 Ca 0.27 0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 58.06 1s64 h LEU 357 Cb 0.42 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 1s64 h LEU 357 CO -0.49 0.16 0.17 0.45 -0.62 0.00 0.00 178.44 178.11 1s64 h HIS 358 N 0.46 0.84 -0.88 1.25 3.86 0.34 -2.49 115.15 118.52 1s64 h HIS 358 Ca 0.33 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.47 1s64 h HIS 358 Cb 0.41 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 1s64 h HIS 358 CO -0.15 0.72 0.58 1.96 0.86 0.00 0.00 177.93 181.89 1s64 h GLN 359 N 0.72 1.16 -0.06 2.45 7.50 -0.50 -2.46 115.11 123.91 1s64 h GLN 359 Ca 0.17 -0.07 -0.08 0.00 0.50 0.00 0.00 58.65 59.17 1s64 h GLN 359 Cb 0.27 -0.26 -0.01 0.00 0.05 0.00 0.00 27.48 27.53 1s64 h GLN 359 CO -0.01 0.77 -0.33 0.66 -1.50 0.00 0.00 178.83 178.42 1s64 h SER 360 N 1.19 0.12 0.42 1.46 4.64 -0.96 -2.10 113.55 118.32 1s64 h SER 360 Ca 0.32 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1s64 h SER 360 Cb -0.13 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1s64 h SER 360 CO -0.07 0.45 0.00 -0.50 -0.87 0.00 0.00 176.83 175.84 1s64 h TRP 361 N 0.11 0.00 -2.68 4.77 6.55 -0.99 -3.37 115.95 120.34 1s64 h TRP 361 Ca 0.01 0.00 -0.65 0.00 0.95 0.00 0.00 58.89 59.21 1s64 h TRP 361 Cb 0.64 0.00 -0.16 0.00 -0.86 0.00 0.00 29.16 28.78 1s64 h TRP 361 CO 0.01 0.00 0.49 0.15 -1.05 0.00 0.00 178.44 178.04 1s64 s LYS 362 N -3.81 3.14 0.00 0.49 3.01 -0.79 -5.13 119.74 116.65 1s64 s LYS 362 Ca -0.02 -1.00 0.00 0.00 -1.01 0.00 0.00 55.97 53.94 1s64 s LYS 362 Cb 0.10 -4.30 0.00 0.00 -1.01 0.00 0.00 37.83 32.63 1s64 s LYS 362 CO 0.42 -1.76 0.00 0.25 0.51 0.00 0.00 175.35 174.77