#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kua h PRO -4 N 0.00 0.79 0.00 1.61 0.13 -2.08 -3.40 132.00 129.05 2kua h PRO -4 Ca 0.00 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kua h PRO -4 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2kua h PRO -4 CO 0.00 1.04 -0.55 1.28 -0.23 0.00 0.00 178.00 179.54 2kua n LEU -3 N -4.04 1.08 0.00 1.56 4.77 -1.26 -4.90 117.00 114.21 2kua n LEU -3 Ca -0.02 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2kua n LEU -3 Cb 0.54 -0.63 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 2kua n LEU -3 CO 0.47 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2kua n GLY -2 N 1.52 0.40 2.70 -0.72 0.00 -1.26 -3.35 105.19 104.48 2kua n GLY -2 Ca -0.08 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 2kua n GLY -2 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kua s SER 0 N -2.91 1.91 0.38 1.61 1.04 -1.26 -5.01 113.70 109.47 2kua s SER 0 Ca 0.00 -0.58 0.09 0.00 0.48 0.00 0.00 55.95 55.93 2kua s SER 0 Cb 0.00 0.23 0.84 0.00 0.10 0.00 0.00 66.02 67.19 2kua s SER 0 CO 0.00 -0.36 1.95 -0.03 0.98 0.00 0.00 173.24 175.78 2kua h MET 1 N 8.33 0.63 -3.65 4.02 -1.53 -1.92 -3.45 114.93 117.35 2kua h MET 1 Ca -0.16 -0.04 -0.08 0.00 -3.44 0.00 0.00 59.70 55.98 2kua h MET 1 Cb 1.11 -0.14 -0.08 0.00 -0.55 0.00 0.00 31.60 31.93 2kua h MET 1 CO 0.32 0.41 -0.09 0.00 0.14 0.00 0.00 176.91 177.70 2kua s ALA 2 N -5.59 -0.18 -2.00 0.39 0.00 -1.26 -5.01 121.76 108.11 2kua s ALA 2 Ca -0.09 -0.93 0.14 0.00 0.00 0.00 0.00 51.96 51.08 2kua s ALA 2 Cb 0.20 1.05 0.85 0.00 0.00 0.00 0.00 23.12 25.22 2kua s ALA 2 CO 0.77 -0.86 1.35 -0.25 0.00 0.00 0.00 175.76 176.76 2kua n ASP 3 N -0.59 0.00 -0.14 0.00 9.92 -1.26 -2.32 116.55 122.16 2kua n ASP 3 Ca -0.02 -0.97 0.11 0.00 -0.53 0.00 0.00 54.79 53.39 2kua n ASP 3 Cb 0.62 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 41.20 2kua n ASP 3 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2kua n SER 4 N -0.81 1.05 -0.53 -2.24 2.88 -1.26 -4.38 113.62 108.32 2kua n SER 4 Ca 0.11 -0.85 0.41 0.00 -1.33 0.00 0.00 58.87 57.21 2kua n SER 4 Cb 0.05 0.52 0.65 0.00 -0.75 0.00 0.00 64.21 64.67 2kua n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kua n GLN 5 N -1.07 -0.01 -3.50 -1.46 1.13 -0.98 -2.62 117.38 108.88 2kua n GLN 5 Ca 0.07 0.94 -0.42 0.00 -1.94 0.00 0.00 57.00 55.65 2kua n GLN 5 Cb 0.36 -2.07 -0.06 0.00 0.11 0.00 0.00 30.24 28.59 2kua n GLN 5 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2kua s ASP 6 N -4.01 6.07 0.00 1.08 1.01 -1.26 -4.89 116.67 114.66 2kua s ASP 6 Ca -0.05 -2.69 0.15 0.00 0.71 0.00 0.00 52.55 50.67 2kua s ASP 6 Cb 0.23 -2.05 0.86 0.00 1.01 0.00 0.00 42.92 42.97 2kua s ASP 6 CO 0.72 -0.50 1.37 -0.81 0.21 0.00 0.00 175.17 176.16 2kua n PRO 7 N 3.86 0.38 -0.00 8.23 -0.04 -1.08 -2.08 135.00 144.27 2kua n PRO 7 Ca 0.09 0.05 0.04 0.00 -0.04 0.00 0.00 63.50 63.65 2kua n PRO 7 Cb 0.43 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 2kua n PRO 7 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2kua n LEU 8 N -1.11 0.13 0.00 1.53 7.94 -1.26 -4.45 117.00 119.78 2kua n LEU 8 Ca 0.10 -0.18 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 2kua n LEU 8 Cb 0.08 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.03 2kua n LEU 8 CO 0.10 0.03 0.27 1.57 -1.11 0.00 0.00 177.39 178.25 2kua n HIS 9 N -1.56 0.00 0.09 1.96 -0.00 -0.89 -2.22 115.22 112.60 2kua n HIS 9 Ca -0.00 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.23 2kua n HIS 9 Cb 0.17 -0.16 0.29 0.00 -0.12 0.00 0.00 29.99 30.17 2kua n HIS 9 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 2kua n GLU 10 N -0.99 0.07 0.04 1.57 0.00 -1.25 -0.82 120.64 119.26 2kua n GLU 10 Ca 0.00 0.53 -0.14 0.00 0.00 0.00 0.00 57.16 57.55 2kua n GLU 10 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 31.44 29.59 2kua n GLU 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kua h ARG 11 N 0.00 0.52 0.03 5.31 3.08 -1.76 -2.74 114.38 118.82 2kua h ARG 11 Ca 0.00 -0.50 -0.00 0.00 0.07 0.00 0.00 59.98 59.55 2kua h ARG 11 Cb 0.18 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2kua h ARG 11 CO 0.00 1.13 -0.01 1.15 -1.07 0.00 0.00 179.97 181.17 2kua h THR 12 N 0.32 1.30 -0.48 2.04 2.02 -0.50 -2.57 112.91 115.04 2kua h THR 12 Ca -0.07 -1.81 0.09 0.00 0.77 0.00 0.00 66.41 65.40 2kua h THR 12 Cb 1.50 2.39 -0.08 0.00 -1.74 0.00 0.00 68.15 70.21 2kua h THR 12 CO 0.16 0.41 -0.01 -0.09 0.37 0.00 0.00 175.52 176.37 2kua h ARG 13 N -0.93 0.10 -0.21 6.66 9.65 -1.65 0.22 114.38 128.23 2kua h ARG 13 Ca -0.00 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.86 2kua h ARG 13 Cb 0.70 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.25 2kua h ARG 13 CO 0.01 0.07 0.09 0.07 2.80 0.00 0.00 179.97 183.00 2kua h ARG 14 N 0.11 0.32 0.10 0.20 -0.00 -1.61 -0.51 114.38 112.98 2kua h ARG 14 Ca 0.24 -0.06 0.01 0.00 -0.00 0.00 0.00 59.98 60.17 2kua h ARG 14 Cb 0.36 -0.05 -0.02 0.00 -0.00 0.00 0.00 29.97 30.26 2kua h ARG 14 CO -0.41 0.37 -0.15 1.25 -0.00 0.00 0.00 179.97 181.04 2kua h LEU 15 N 0.19 -0.40 0.04 0.08 5.85 -0.93 0.45 115.31 120.59 2kua h LEU 15 Ca 0.07 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2kua h LEU 15 Cb 0.17 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2kua h LEU 15 CO -0.01 -0.22 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.72 2kua h LEU 16 N -0.30 -0.26 -1.19 2.25 4.07 -0.53 -2.34 115.31 117.01 2kua h LEU 16 Ca 0.02 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 2kua h LEU 16 Cb 0.30 0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.11 2kua h LEU 16 CO -0.07 -0.14 0.41 0.77 -1.08 0.00 0.00 178.44 178.33 2kua h SER 17 N -0.18 0.85 -0.52 -0.43 4.64 -0.91 -2.52 113.55 114.48 2kua h SER 17 Ca 0.02 -0.05 0.06 0.00 -0.47 0.00 0.00 61.79 61.35 2kua h SER 17 Cb 0.20 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.03 2kua h SER 17 CO -0.07 0.67 0.22 0.44 -0.87 0.00 0.00 176.83 177.23 2kua h ASP 18 N 0.98 0.28 -0.73 4.97 3.32 0.41 -2.06 116.42 123.60 2kua h ASP 18 Ca 0.25 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2kua h ASP 18 Cb -0.01 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 2kua h ASP 18 CO -0.05 0.19 0.46 0.22 -1.72 0.00 0.00 179.24 178.35 2kua h TYR 19 N 0.43 0.93 -0.79 4.55 3.20 -1.00 -2.50 116.97 121.80 2kua h TYR 19 Ca 0.24 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.28 2kua h TYR 19 Cb 0.21 -0.31 -0.10 0.00 1.54 0.00 0.00 36.73 38.07 2kua h TYR 19 CO -0.13 0.61 0.32 0.82 -1.64 0.00 0.00 178.16 178.14 2kua h ILE 20 N 0.99 0.63 -0.13 1.81 1.08 -1.17 -1.09 117.51 119.62 2kua h ILE 20 Ca 0.26 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.57 2kua h ILE 20 Cb -0.07 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 33.81 2kua h ILE 20 CO -0.05 0.08 0.06 -0.26 -0.69 0.00 0.00 178.15 177.29 2kua h PHE 21 N 0.45 0.20 -0.57 1.37 -1.00 -1.23 -1.60 116.94 114.56 2kua h PHE 21 Ca 0.44 -0.01 0.11 0.00 2.81 0.00 0.00 57.97 61.32 2kua h PHE 21 Cb 0.70 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 40.17 2kua h PHE 21 CO -0.16 0.26 0.39 0.35 -1.61 0.00 0.00 178.31 177.54 2kua h PHE 22 N 0.08 0.32 -0.00 -0.55 3.04 -1.01 0.35 116.94 119.17 2kua h PHE 22 Ca 0.05 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2kua h PHE 22 Cb 0.15 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.55 2kua h PHE 22 CO -0.02 0.15 -0.22 0.00 -2.02 0.00 0.00 178.31 176.20 2kua n ALA 24 N -1.35 2.69 -3.44 0.00 0.00 0.12 -4.72 120.51 113.81 2kua n ALA 24 Ca 0.08 -0.34 -0.36 0.00 0.00 0.00 0.00 53.44 52.82 2kua n ALA 24 Cb 0.32 -1.01 -0.13 0.00 0.00 0.00 0.00 19.45 18.63 2kua n ALA 24 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kua s ARG 25 N -1.48 2.76 0.69 0.00 1.81 -1.24 -5.04 118.95 116.46 2kua s ARG 25 Ca 0.10 -1.06 -0.15 0.00 -1.72 0.00 0.00 55.73 52.90 2kua s ARG 25 Cb 0.07 -3.25 -0.13 0.00 -0.45 0.00 0.00 34.95 31.19 2kua s ARG 25 CO 0.04 -0.52 -0.45 0.39 -0.68 0.00 0.00 175.30 174.08 2kua n GLU 26 N 4.74 0.00 0.02 3.54 1.02 -1.26 -4.77 120.64 123.93 2kua n GLU 26 Ca -0.14 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.07 2kua n GLU 26 Cb 0.46 -0.88 0.33 0.00 -0.02 0.00 0.00 31.44 31.33 2kua n GLU 26 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2kua n PRO 27 N 1.82 0.03 -0.11 3.49 -0.04 -1.26 -2.05 135.00 136.88 2kua n PRO 27 Ca 0.02 0.28 0.10 0.00 -0.04 0.00 0.00 63.50 63.86 2kua n PRO 27 Cb 0.46 -1.56 0.32 0.00 -0.04 0.00 0.00 33.50 32.68 2kua n PRO 27 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kua n ASP 28 N -1.62 1.85 -3.84 3.54 8.00 -1.26 -4.85 116.55 118.38 2kua n ASP 28 Ca 0.03 -1.79 -0.12 0.00 0.71 0.00 0.00 54.79 53.62 2kua n ASP 28 Cb 0.18 -0.15 -0.12 0.00 -0.02 0.00 0.00 41.12 41.01 2kua n ASP 28 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2kua s THR 29 N -1.71 0.01 0.25 -3.53 -1.32 -0.87 -5.14 115.64 103.33 2kua s THR 29 Ca 0.31 -0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.41 2kua s THR 29 Cb 0.17 -0.21 -0.09 0.00 -1.51 0.00 0.00 72.50 70.86 2kua s THR 29 CO 0.25 -0.05 1.27 -2.16 -2.21 0.00 0.00 174.62 171.72 2kua s PRO 30 N -0.11 4.43 0.58 7.08 0.04 -1.26 -4.63 135.00 141.12 2kua s PRO 30 Ca -0.02 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 2kua s PRO 30 Cb -0.02 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.31 2kua s PRO 30 CO 0.00 -0.15 1.01 -1.21 0.04 0.00 0.00 177.00 176.70 2kua s GLU 31 N -0.86 3.74 1.00 4.56 8.01 -1.26 -5.05 118.70 128.84 2kua s GLU 31 Ca 0.52 0.84 -0.12 0.00 0.01 0.00 0.00 54.97 56.22 2kua s GLU 31 Cb -0.37 -2.10 0.19 0.00 -4.31 0.00 0.00 34.13 27.54 2kua s GLU 31 CO 0.43 -0.45 1.09 -1.25 0.01 0.00 0.00 175.26 175.09 2kua s PRO 32 N -4.70 0.44 1.02 0.39 0.04 -1.26 -5.04 135.00 125.88 2kua s PRO 32 Ca 0.57 0.53 -0.13 0.00 0.04 0.00 0.00 61.00 62.01 2kua s PRO 32 Cb -0.11 -1.74 0.20 0.00 0.04 0.00 0.00 34.50 32.89 2kua s PRO 32 CO 0.44 -2.73 1.09 -1.25 0.04 0.00 0.00 177.00 174.60 2kua s PRO 33 N -4.96 0.29 0.85 0.56 0.04 -1.26 -4.96 135.00 125.56 2kua s PRO 33 Ca 0.65 0.48 -0.11 0.00 0.04 0.00 0.00 61.00 62.06 2kua s PRO 33 Cb -0.19 -1.72 0.10 0.00 0.04 0.00 0.00 34.50 32.73 2kua s PRO 33 CO 0.58 -2.82 1.09 -1.25 0.04 0.00 0.00 177.00 174.64 2kua s PRO 34 N -4.97 1.65 -0.25 0.56 0.04 -1.26 -5.01 135.00 125.77 2kua s PRO 34 Ca 0.66 0.95 -0.07 0.00 0.04 0.00 0.00 61.00 62.58 2kua s PRO 34 Cb -0.19 -1.84 -0.17 0.00 0.04 0.00 0.00 34.50 32.34 2kua s PRO 34 CO 0.58 -2.00 -0.16 2.41 0.04 0.00 0.00 177.00 177.86 2kua n THR 35 N -3.74 1.54 -4.27 1.26 -1.04 -1.26 -4.97 114.28 101.80 2kua n THR 35 Ca 0.08 -0.46 -0.17 0.00 -2.04 0.00 0.00 64.05 61.46 2kua n THR 35 Cb 0.54 -1.68 -0.06 0.00 -1.82 0.00 0.00 70.33 67.31 2kua n THR 35 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2kua n SER 36 N -3.76 -0.18 0.01 8.00 7.64 -1.26 -5.01 113.62 119.05 2kua n SER 36 Ca -0.46 -2.76 -0.11 0.00 1.01 0.00 0.00 58.87 56.54 2kua n SER 36 Cb 0.93 1.23 -0.06 0.00 -1.01 0.00 0.00 64.21 65.30 2kua n SER 36 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2kua h VAL 37 N 1.79 1.05 -0.10 0.44 2.07 -1.96 -0.41 116.25 119.13 2kua h VAL 37 Ca -0.20 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 2kua h VAL 37 Cb 0.97 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2kua h VAL 37 CO 0.30 0.05 -0.17 1.05 0.02 0.00 0.00 177.57 178.82 2kua h GLU 38 N 0.05 0.17 -0.17 1.57 4.11 -1.93 -2.46 114.58 115.92 2kua h GLU 38 Ca 0.03 -0.04 -0.16 0.00 0.07 0.00 0.00 59.36 59.25 2kua h GLU 38 Cb 0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2kua h GLU 38 CO -0.00 0.34 -0.57 0.00 0.07 0.00 0.00 179.01 178.84 2kua h ALA 39 N 1.67 0.68 -0.34 1.06 0.00 -1.80 -3.10 119.26 117.43 2kua h ALA 39 Ca 0.03 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 2kua h ALA 39 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2kua h ALA 39 CO 0.03 0.70 -0.23 0.00 0.00 0.00 0.00 179.25 179.74 2kua h ALA 40 N 0.96 0.96 0.25 0.00 0.00 -0.64 -2.99 119.26 117.79 2kua h ALA 40 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2kua h ALA 40 Cb 1.12 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2kua h ALA 40 CO 0.11 0.61 -0.12 1.25 0.00 0.00 0.00 179.25 181.09 2kua h LEU 41 N 0.58 -0.29 -0.25 0.00 7.12 -1.41 -2.50 115.31 118.58 2kua h LEU 41 Ca 0.08 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.15 2kua h LEU 41 Cb 0.71 0.07 -0.07 0.00 -0.53 0.00 0.00 40.66 40.84 2kua h LEU 41 CO 0.05 -0.19 -0.21 -0.07 -0.13 0.00 0.00 178.44 177.89 2kua h LEU 42 N -0.35 -0.69 -2.07 2.25 3.38 -1.52 0.55 115.31 116.87 2kua h LEU 42 Ca -0.03 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.16 2kua h LEU 42 Cb 0.27 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2kua h LEU 42 CO 0.06 -0.25 0.35 -0.09 0.09 0.00 0.00 178.44 178.60 2kua h ARG 43 N -0.21 0.00 0.05 1.13 1.12 -1.41 3.71 114.38 118.76 2kua h ARG 43 Ca 0.14 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.79 2kua h ARG 43 Cb 0.42 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.37 2kua h ARG 43 CO -0.37 0.00 -1.19 1.03 -3.11 0.00 0.00 179.97 176.33 2kua h SER 44 N 0.00 0.16 0.00 -3.80 0.87 -0.22 -3.32 113.55 107.24 2kua h SER 44 Ca 0.16 -0.73 -0.18 0.00 -1.23 0.00 0.00 61.79 59.82 2kua h SER 44 Cb 0.86 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.74 2kua h SER 44 CO -0.00 1.49 -1.18 1.33 -0.53 0.00 0.00 176.83 177.94 2kua n VAL 45 N -4.22 1.50 -0.28 2.23 0.24 0.16 -4.25 118.33 113.72 2kua n VAL 45 Ca -0.27 0.01 0.28 0.00 -2.04 0.00 0.00 64.34 62.33 2kua n VAL 45 Cb 0.75 -2.15 0.65 0.00 -1.47 0.00 0.00 33.84 31.63 2kua n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kua h THR 46 N -1.00 0.50 -0.13 3.34 1.03 0.69 0.54 112.91 117.88 2kua h THR 46 Ca -0.27 -0.05 -0.02 0.00 -0.01 0.00 0.00 66.41 66.06 2kua h THR 46 Cb 1.09 0.34 -0.01 0.00 -1.07 0.00 0.00 68.15 68.50 2kua h THR 46 CO -0.16 0.03 0.00 0.08 -0.01 0.00 0.00 175.52 175.46 2kua h ARG 47 N 0.15 0.18 0.08 0.00 -0.00 -1.51 -2.10 114.38 111.18 2kua h ARG 47 Ca 0.53 -0.02 -0.25 0.00 -0.00 0.00 0.00 59.98 60.23 2kua h ARG 47 Cb 1.80 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 31.73 2kua h ARG 47 CO -0.10 0.20 -1.18 -0.56 -0.00 0.00 0.00 179.97 178.33 2kua h GLN 48 N 0.18 0.16 -0.23 0.08 -0.00 -0.10 -2.79 115.11 112.41 2kua h GLN 48 Ca 0.04 -0.27 -0.04 0.00 -0.00 0.00 0.00 58.65 58.38 2kua h GLN 48 Cb 0.13 0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 27.69 2kua h GLN 48 CO 0.00 1.11 -0.05 0.82 -0.00 0.00 0.00 178.83 180.72 2kua h ILE 49 N 0.04 1.17 0.00 1.86 1.08 -1.03 -2.20 117.51 118.44 2kua h ILE 49 Ca -0.10 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 2kua h ILE 49 Cb 1.90 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 2kua h ILE 49 CO 0.17 0.23 -0.04 1.56 -0.69 0.00 0.00 178.15 179.38 2kua h GLN 50 N 0.34 0.00 0.00 2.37 4.20 -1.51 -1.04 115.11 119.46 2kua h GLN 50 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2kua h GLN 50 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2kua h GLN 50 CO 0.01 0.00 0.57 -0.56 -0.67 0.00 0.00 178.83 178.18 2kua h GLN 51 N -0.87 0.00 0.04 1.46 3.07 -1.54 5.39 115.11 122.65 2kua h GLN 51 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 58.65 58.36 2kua h GLN 51 Cb 0.04 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.55 2kua h GLN 51 CO 0.00 0.00 -2.31 -0.85 0.09 0.00 0.00 178.83 175.76 2kua n GLU 52 N -2.72 0.67 -0.11 0.06 0.28 -0.83 -4.60 120.64 113.40 2kua n GLU 52 Ca -0.01 0.21 -0.19 0.00 -0.16 0.00 0.00 57.16 57.00 2kua n GLU 52 Cb 0.60 -1.58 -0.09 0.00 1.43 0.00 0.00 31.44 31.80 2kua n GLU 52 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2kua n HIS 53 N -3.45 0.00 -0.09 -1.84 8.25 0.71 -4.43 115.22 114.37 2kua n HIS 53 Ca -0.42 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.24 2kua n HIS 53 Cb 0.99 -0.82 0.31 0.00 1.12 0.00 0.00 29.99 31.59 2kua n HIS 53 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2kua n GLN 54 N -3.55 0.02 -0.36 -0.41 -0.00 1.72 0.21 117.38 115.00 2kua n GLN 54 Ca -0.41 0.93 0.33 0.00 -0.00 0.00 0.00 57.00 57.85 2kua n GLN 54 Cb 0.86 -2.36 0.68 0.00 -0.00 0.00 0.00 30.24 29.42 2kua n GLN 54 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2kua h GLU 55 N 0.00 0.11 0.00 2.61 5.08 -1.76 0.54 114.58 121.16 2kua h GLU 55 Ca 0.36 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.39 2kua h GLU 55 Cb 2.53 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 31.70 2kua h GLU 55 CO -0.00 0.08 -2.23 1.19 -1.00 0.00 0.00 179.01 177.04 2kua n PHE 56 N -4.34 0.00 -0.02 4.33 3.01 0.13 -4.42 117.46 116.16 2kua n PHE 56 Ca 0.28 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.65 2kua n PHE 56 Cb 1.22 -0.84 -0.02 0.00 -0.01 0.00 0.00 39.48 39.83 2kua n PHE 56 CO 0.00 0.00 0.00 0.74 1.01 0.00 0.00 176.76 178.51 2kua h PHE 57 N 0.00 -0.50 -0.74 1.38 0.04 -1.32 -1.83 116.94 113.96 2kua h PHE 57 Ca -0.48 0.03 0.16 0.00 2.80 0.00 0.00 57.97 60.48 2kua h PHE 57 Cb 1.78 0.25 -0.11 0.00 2.20 0.00 0.00 35.95 40.07 2kua h PHE 57 CO 0.02 -0.27 0.20 1.03 -0.60 0.00 0.00 178.31 178.70 2kua h SER 58 N -0.23 0.06 -0.95 2.17 0.87 -1.17 0.16 113.55 114.47 2kua h SER 58 Ca 0.11 0.14 0.16 0.00 -1.23 0.00 0.00 61.79 60.97 2kua h SER 58 Cb 0.39 0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 62.43 2kua h SER 58 CO -0.30 -0.02 0.56 0.28 -0.53 0.00 0.00 176.83 176.82 2kua h SER 59 N 0.30 0.74 0.01 6.23 0.02 -1.55 -1.54 113.55 117.76 2kua h SER 59 Ca 0.42 0.08 -0.22 0.00 -0.84 0.00 0.00 61.79 61.24 2kua h SER 59 Cb 0.71 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 63.22 2kua h SER 59 CO -0.50 0.31 -0.86 -0.26 -1.14 0.00 0.00 176.83 174.39 2kua h PHE 60 N 0.78 0.84 -0.72 3.45 0.04 -0.60 -2.92 116.94 117.81 2kua h PHE 60 Ca 0.52 -0.47 0.21 0.00 2.80 0.00 0.00 57.97 61.03 2kua h PHE 60 Cb 0.71 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.74 2kua h PHE 60 CO -0.03 1.30 0.69 0.00 -0.60 0.00 0.00 178.31 179.67 2kua n GLU 62 N -3.73 1.89 0.01 0.00 0.28 -0.99 -4.44 120.64 113.65 2kua n GLU 62 Ca 0.15 -3.38 -0.00 0.00 -0.16 0.00 0.00 57.16 53.76 2kua n GLU 62 Cb 0.95 -1.62 -0.00 0.00 1.43 0.00 0.00 31.44 32.20 2kua n GLU 62 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2kua n SER 63 N -0.87 0.17 -0.05 -1.84 2.88 0.13 -4.91 113.62 109.13 2kua n SER 63 Ca 0.23 0.02 -0.13 0.00 -1.33 0.00 0.00 58.87 57.66 2kua n SER 63 Cb 0.80 -0.09 -0.14 0.00 -0.75 0.00 0.00 64.21 64.03 2kua n SER 63 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kua n ARG 64 N -2.65 0.68 -0.31 -1.46 3.00 -1.17 -4.99 116.66 109.76 2kua n ARG 64 Ca -0.00 0.20 0.00 0.00 -0.01 0.00 0.00 57.85 58.03 2kua n ARG 64 Cb 0.01 -1.67 0.00 0.00 0.00 0.00 0.00 32.46 30.79 2kua n ARG 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kua n GLY 65 N 1.79 0.78 1.27 -0.13 0.00 -1.25 -4.94 105.19 102.70 2kua n GLY 65 Ca -0.28 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 2kua n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kua n ASN 66 N 0.00 3.51 -0.32 1.61 3.02 -1.26 -4.57 115.26 117.24 2kua n ASN 66 Ca 0.00 -2.32 0.27 0.00 -0.03 0.00 0.00 54.58 52.50 2kua n ASN 66 Cb 0.00 -0.64 0.44 0.00 -0.61 0.00 0.00 39.78 38.98 2kua n ASN 66 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2kua n ARG 67 N 0.36 -0.02 -0.06 3.52 1.85 -1.26 0.18 116.66 121.23 2kua n ARG 67 Ca 0.10 0.77 -0.12 0.00 -1.00 0.00 0.00 57.85 57.61 2kua n ARG 67 Cb 0.67 -1.56 -0.11 0.00 -1.05 0.00 0.00 32.46 30.41 2kua n ARG 67 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2kua h LEU 68 N 0.00 -0.01 -1.79 2.89 5.85 -1.95 -2.85 115.31 117.45 2kua h LEU 68 Ca 0.56 -0.79 0.23 0.00 0.84 0.00 0.00 57.88 58.72 2kua h LEU 68 Cb 1.89 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.88 2kua h LEU 68 CO -0.25 0.87 0.60 -0.33 -0.34 0.00 0.00 178.44 179.00 2kua h GLU 69 N -0.97 0.17 0.06 1.25 4.39 0.15 0.10 114.58 119.74 2kua h GLU 69 Ca -0.00 -0.01 -0.27 0.00 0.34 0.00 0.00 59.36 59.41 2kua h GLU 69 Cb 0.80 -0.04 0.02 0.00 -0.10 0.00 0.00 28.75 29.43 2kua h GLU 69 CO 0.00 0.11 -1.13 -0.07 -1.16 0.00 0.00 179.01 176.76 2kua h LEU 70 N 0.17 0.78 -0.40 1.33 3.38 -1.15 -1.89 115.31 117.54 2kua h LEU 70 Ca 0.43 -0.68 0.01 0.00 0.09 0.00 0.00 57.88 57.73 2kua h LEU 70 Cb 1.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2kua h LEU 70 CO -0.08 1.49 0.24 1.62 0.09 0.00 0.00 178.44 181.80 2kua h VAL 71 N 0.28 1.06 -0.13 1.22 3.04 -0.57 -0.51 116.25 120.63 2kua h VAL 71 Ca -0.15 -0.17 -0.14 0.00 -1.01 0.00 0.00 66.70 65.23 2kua h VAL 71 Cb 1.79 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 2kua h VAL 71 CO 0.21 0.09 -0.47 0.07 -1.01 0.00 0.00 177.57 176.46 2kua h LYS 72 N 0.49 0.55 -0.41 4.17 2.10 -1.43 -2.99 116.57 119.05 2kua h LYS 72 Ca 0.16 -0.42 0.06 0.00 -2.00 0.00 0.00 60.65 58.45 2kua h LYS 72 Cb -0.01 0.08 -0.06 0.00 -0.90 0.00 0.00 32.23 31.34 2kua h LYS 72 CO -0.06 1.04 0.07 1.96 -2.00 0.00 0.00 179.45 180.46 2kua h GLN 73 N 0.17 0.20 0.48 0.07 7.50 -1.16 -2.05 115.11 120.31 2kua h GLN 73 Ca -0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 2kua h GLN 73 Cb 1.10 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.57 2kua h GLN 73 CO 0.10 0.13 -0.36 0.52 -1.50 0.00 0.00 178.83 177.72 2kua h MET 74 N 0.20 -0.79 0.00 1.46 2.86 -1.14 -1.07 114.93 116.46 2kua h MET 74 Ca 0.20 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 2kua h MET 74 Cb 0.24 0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.08 2kua h MET 74 CO -0.26 -0.53 0.35 0.00 1.06 0.00 0.00 176.91 177.54 2kua h ALA 75 N -0.42 1.34 0.14 6.32 0.00 -1.34 0.28 119.26 125.58 2kua h ALA 75 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 2kua h ALA 75 Cb 0.69 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.51 2kua h ALA 75 CO 0.01 -0.34 -1.26 0.22 0.00 0.00 0.00 179.25 177.88 2kua h ASP 76 N 0.00 0.72 -0.00 0.00 3.58 -0.48 0.22 116.42 120.46 2kua h ASP 76 Ca 0.00 -0.70 -0.05 0.00 0.42 0.00 0.00 57.03 56.70 2kua h ASP 76 Cb 0.71 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2kua h ASP 76 CO 0.00 1.52 -0.18 0.07 -2.88 0.00 0.00 179.24 177.77 2kua h LYS 77 N 0.19 0.13 0.00 0.28 2.10 -0.15 -3.40 116.57 115.72 2kua h LYS 77 Ca -0.18 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2kua h LYS 77 Cb 1.95 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 33.31 2kua h LYS 77 CO 0.23 0.87 -0.02 1.37 -2.00 0.00 0.00 179.45 179.91 2kua h LEU 78 N -0.56 0.00-10.31 7.07 -0.00 -1.43 -3.47 115.31 106.61 2kua h LEU 78 Ca -0.02 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 57.36 2kua h LEU 78 Cb 0.93 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.64 2kua h LEU 78 CO 0.04 0.34 0.23 -0.76 -0.00 0.00 0.00 178.44 178.28 2kua s LEU 79 N -6.99 3.49 0.00 0.17 2.01 0.07 -4.80 118.68 112.63 2kua s LEU 79 Ca -0.00 1.14 0.00 0.00 0.01 0.00 0.00 54.13 55.27 2kua s LEU 79 Cb 0.00 -4.12 0.00 0.00 0.01 0.00 0.00 46.19 42.08 2kua s LEU 79 CO 0.01 -0.67 0.00 -0.24 1.01 0.00 0.00 176.35 176.45 2kua n SER 80 N -2.36 0.00 -0.13 2.29 2.88 -1.25 -3.83 113.62 111.21 2kua n SER 80 Ca 0.03 -0.55 -0.27 0.00 -1.33 0.00 0.00 58.87 56.75 2kua n SER 80 Cb 0.55 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.91 2kua n SER 80 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2kua n LYS 81 N 0.00 0.58 0.00 -1.46 2.85 -1.26 -4.53 118.16 114.34 2kua n LYS 81 Ca 0.00 0.23 0.12 0.00 -1.05 0.00 0.00 58.31 57.61 2kua n LYS 81 Cb 0.00 -1.46 0.18 0.00 -0.65 0.00 0.00 35.03 33.10 2kua n LYS 81 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kua n ASP 82 N -4.03 1.23 -4.70 -5.58 9.92 -1.26 -4.86 116.55 107.27 2kua n ASP 82 Ca -0.51 -0.98 -0.40 0.00 -0.53 0.00 0.00 54.79 52.36 2kua n ASP 82 Cb 0.89 0.36 -0.05 0.00 -0.64 0.00 0.00 41.12 41.69 2kua n ASP 82 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2kua s GLN 83 N -2.64 4.38 -0.65 -1.24 1.11 -1.26 -4.95 119.66 114.42 2kua s GLN 83 Ca 0.18 0.88 -0.24 0.00 0.01 0.00 0.00 55.36 56.19 2kua s GLN 83 Cb 0.18 -3.49 -0.20 0.00 -1.01 0.00 0.00 33.01 28.49 2kua s GLN 83 CO 0.61 -0.06 1.86 -0.40 0.01 0.00 0.00 175.29 177.30 2kua n ASP 84 N 4.26 2.21 -4.45 5.90 5.75 -1.26 -4.52 116.55 124.44 2kua n ASP 84 Ca 0.00 -2.64 -0.51 0.00 -0.01 0.00 0.00 54.79 51.63 2kua n ASP 84 Cb 0.51 -1.05 -0.07 0.00 -1.03 0.00 0.00 41.12 39.48 2kua n ASP 84 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 2kua n PHE 85 N 8.69 1.62 -2.13 2.11 -1.74 -1.26 -4.92 117.46 119.83 2kua n PHE 85 Ca 0.48 0.30 -0.32 0.00 -0.56 0.00 0.00 57.45 57.36 2kua n PHE 85 Cb 0.41 -2.52 -0.01 0.00 1.52 0.00 0.00 39.48 38.88 2kua n PHE 85 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2kua s SER 86 N 7.03 6.37 0.55 5.98 0.15 -1.26 -4.89 113.70 127.62 2kua s SER 86 Ca 1.09 1.53 0.34 0.00 0.70 0.00 0.00 55.95 59.61 2kua s SER 86 Cb -0.89 -2.49 1.51 0.00 -1.71 0.00 0.00 66.02 62.44 2kua s SER 86 CO 0.50 -0.77 1.83 -0.50 1.20 0.00 0.00 173.24 175.51 2kua h TRP 87 N 0.34 0.00 -0.08 3.44 -0.00 -2.01 0.70 115.95 118.34 2kua h TRP 87 Ca -0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.36 2kua h TRP 87 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.34 2kua h TRP 87 CO 0.64 0.00 -0.29 0.77 -0.00 0.00 0.00 178.44 179.56 2kua h SER 88 N 0.00 0.14 -0.07 -3.49 0.02 -2.00 -2.88 113.55 105.28 2kua h SER 88 Ca 0.49 -0.04 -0.25 0.00 -0.84 0.00 0.00 61.79 61.15 2kua h SER 88 Cb 2.02 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 64.54 2kua h SER 88 CO -0.01 0.43 -0.91 1.56 -1.14 0.00 0.00 176.83 176.77 2kua h GLN 89 N 0.13 0.75 0.21 3.45 1.08 0.06 -2.60 115.11 118.19 2kua h GLN 89 Ca 0.02 -0.70 0.01 0.00 -1.45 0.00 0.00 58.65 56.53 2kua h GLN 89 Cb 0.58 0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 28.16 2kua h GLN 89 CO 0.04 1.29 -0.31 -0.07 -0.95 0.00 0.00 178.83 178.83 2kua h LEU 90 N 0.47 -0.87 -1.49 1.46 -0.00 -1.29 -1.16 115.31 112.43 2kua h LEU 90 Ca -0.09 0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.84 2kua h LEU 90 Cb 1.55 0.31 -0.01 0.00 -0.00 0.00 0.00 40.66 42.52 2kua h LEU 90 CO 0.18 -0.42 -0.09 -0.37 -0.00 0.00 0.00 178.44 177.75 2kua h VAL 91 N -0.59 1.15 -0.54 1.22 -1.51 -1.62 -2.65 116.25 111.72 2kua h VAL 91 Ca 0.01 -0.64 -0.01 0.00 -1.23 0.00 0.00 66.70 64.83 2kua h VAL 91 Cb 0.58 1.14 -0.03 0.00 -2.13 0.00 0.00 31.29 30.85 2kua h VAL 91 CO -0.13 0.20 0.30 -0.03 -1.23 0.00 0.00 177.57 176.68 2kua h MET 92 N 0.22 0.76 -0.81 5.19 -1.53 -0.95 -1.65 114.93 116.15 2kua h MET 92 Ca 0.05 -0.09 -0.02 0.00 -3.44 0.00 0.00 59.70 56.20 2kua h MET 92 Cb 0.30 -0.15 -0.04 0.00 -0.55 0.00 0.00 31.60 31.16 2kua h MET 92 CO 0.01 0.59 0.43 1.25 0.14 0.00 0.00 176.91 179.33 2kua h LEU 93 N 0.73 1.02 -0.30 3.39 5.85 -0.88 -2.34 115.31 122.78 2kua h LEU 93 Ca 0.19 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2kua h LEU 93 Cb 0.05 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 2kua h LEU 93 CO -0.03 0.84 0.06 -0.07 -0.34 0.00 0.00 178.44 178.90 2kua h LEU 94 N 1.14 0.46 0.42 2.25 3.38 -1.33 -2.46 115.31 119.18 2kua h LEU 94 Ca 0.28 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2kua h LEU 94 Cb 0.05 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2kua h LEU 94 CO -0.04 0.59 -0.41 0.00 0.09 0.00 0.00 178.44 178.67 2kua h ALA 95 N 0.89 -0.90 -0.05 1.53 0.00 -1.03 -2.71 119.26 116.99 2kua h ALA 95 Ca 0.09 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.88 2kua h ALA 95 Cb 0.32 0.58 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 2kua h ALA 95 CO 0.00 -1.05 -0.51 0.35 0.00 0.00 0.00 179.25 178.05 2kua h PHE 96 N -0.85 -1.49 -0.93 0.00 3.57 -1.44 -1.53 116.94 114.27 2kua h PHE 96 Ca -0.04 0.05 0.18 0.00 3.53 0.00 0.00 57.97 61.69 2kua h PHE 96 Cb 0.75 0.66 -0.17 0.00 2.79 0.00 0.00 35.95 39.97 2kua h PHE 96 CO -0.22 -0.55 -0.25 0.00 -2.23 0.00 0.00 178.31 175.07 2kua n ALA 97 N -2.96 0.18 0.21 2.41 0.00 -0.93 0.22 120.51 119.64 2kua n ALA 97 Ca -0.06 1.01 0.05 0.00 0.00 0.00 0.00 53.44 54.44 2kua n ALA 97 Cb 0.39 -0.59 0.47 0.00 0.00 0.00 0.00 19.45 19.72 2kua n ALA 97 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kua h GLY 98 N 0.00 0.00 2.00 0.00 0.00 -1.00 -2.29 103.07 101.78 2kua h GLY 98 Ca 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.69 2kua h GLY 98 CO -0.95 0.00 -0.35 0.00 0.00 0.00 0.00 176.54 175.24 2kua h THR 99 N 0.00 0.81 0.18 4.70 1.03 0.36 -3.14 112.91 116.85 2kua h THR 99 Ca -0.00 -1.48 -0.31 0.00 -0.01 0.00 0.00 66.41 64.61 2kua h THR 99 Cb 0.51 1.93 0.02 0.00 -1.07 0.00 0.00 68.15 69.54 2kua h THR 99 CO 0.03 0.34 -1.43 -0.07 -0.01 0.00 0.00 175.52 174.39 2kua h LEU 100 N 0.00 0.59 -4.90 0.00 3.38 -0.61 -3.43 115.31 110.33 2kua h LEU 100 Ca -0.00 -0.68 -0.42 0.00 0.09 0.00 0.00 57.88 56.87 2kua h LEU 100 Cb 0.90 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2kua h LEU 100 CO 0.05 1.54 0.90 0.80 0.09 0.00 0.00 178.44 181.81 2kua n MET 101 N -3.59 0.00 -2.66 1.13 1.56 -0.98 -4.86 117.12 107.72 2kua n MET 101 Ca -0.14 0.00 -0.27 0.00 -0.27 0.00 0.00 57.70 57.02 2kua n MET 101 Cb 1.06 -0.92 0.01 0.00 2.15 0.00 0.00 33.22 35.52 2kua n MET 101 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2kua s ASN 102 N 4.28 6.12 -0.02 6.12 4.22 -1.26 -4.87 114.94 129.53 2kua s ASN 102 Ca 0.77 0.82 -0.05 0.00 -2.14 0.00 0.00 52.86 52.26 2kua s ASN 102 Cb -0.87 -2.09 0.00 0.00 1.28 0.00 0.00 41.25 39.57 2kua s ASN 102 CO 0.37 -0.66 0.10 -1.10 -2.04 0.00 0.00 177.10 173.78 2kua s GLN 103 N -4.75 0.29 -0.35 3.55 -1.52 -1.26 -4.48 119.66 111.13 2kua s GLN 103 Ca 0.48 -0.15 0.05 0.00 -1.95 0.00 0.00 55.36 53.78 2kua s GLN 103 Cb -0.10 0.12 0.31 0.00 -0.22 0.00 0.00 33.01 33.12 2kua s GLN 103 CO 0.44 -0.06 1.32 0.41 -0.25 0.00 0.00 175.29 177.15 2kua n GLY 104 N 2.25 -0.92 0.00 3.09 0.00 -1.26 -5.15 105.19 103.20 2kua n GLY 104 Ca -0.18 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2kua n GLY 104 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kua n PRO 105 N 0.35 0.33 0.00 1.61 -0.04 -1.26 -5.03 135.00 130.95 2kua n PRO 105 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2kua n PRO 105 Cb 0.74 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.20 2kua n PRO 105 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2kua n TYR 106 N -1.18 0.00 -3.34 0.54 4.11 -1.26 -4.97 117.16 111.06 2kua n TYR 106 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.57 2kua n TYR 106 Cb 0.00 0.05 -0.05 0.00 -0.00 0.00 0.00 39.34 39.34 2kua n TYR 106 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 2kua n MET 107 N -1.58 3.12 -2.52 -3.48 2.81 -1.26 -5.01 117.12 109.21 2kua n MET 107 Ca 0.00 -4.61 -0.40 0.00 -1.81 0.00 0.00 57.70 50.88 2kua n MET 107 Cb 0.00 -2.36 -0.03 0.00 -0.71 0.00 0.00 33.22 30.12 2kua n MET 107 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kua s ALA 108 N -2.39 2.65 0.05 3.04 0.00 -1.26 -4.39 121.76 119.46 2kua s ALA 108 Ca 0.35 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.36 2kua s ALA 108 Cb 0.08 -4.46 0.00 0.00 0.00 0.00 0.00 23.12 18.74 2kua s ALA 108 CO 0.00 -3.61 0.00 1.55 0.00 0.00 0.00 175.76 173.70 2kua n VAL 109 N 6.82 0.00 -3.07 0.00 3.14 -1.26 -4.99 118.33 118.97 2kua n VAL 109 Ca 0.25 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 61.19 2kua n VAL 109 Cb 0.50 -0.33 0.00 0.00 -1.06 0.00 0.00 33.84 32.95 2kua n VAL 109 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2kua n LYS 110 N -2.64 3.62 -3.28 1.45 5.02 -1.26 -4.83 118.16 116.24 2kua n LYS 110 Ca 0.00 -4.18 -0.25 0.00 -2.02 0.00 0.00 58.31 51.86 2kua n LYS 110 Cb 0.00 -2.75 -0.08 0.00 -0.02 0.00 0.00 35.03 32.19 2kua n LYS 110 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2kua n GLN 111 N 3.61 0.97 -3.36 1.97 3.00 -1.26 -4.86 117.38 117.45 2kua n GLN 111 Ca 0.30 -3.49 -0.46 0.00 -0.01 0.00 0.00 57.00 53.35 2kua n GLN 111 Cb 0.39 -1.47 -0.04 0.00 0.00 0.00 0.00 30.24 29.12 2kua n GLN 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2kua s LYS 112 N -1.24 3.29 -1.01 -1.09 2.20 -1.26 -4.67 119.74 115.96 2kua s LYS 112 Ca 0.35 -2.20 -0.13 0.00 -0.36 0.00 0.00 55.97 53.64 2kua s LYS 112 Cb 0.14 -4.32 0.13 0.00 -1.51 0.00 0.00 37.83 32.27 2kua s LYS 112 CO -0.11 -1.29 0.32 0.54 -0.36 0.00 0.00 175.35 174.45 2kua n ARG 113 N 4.38 -1.26 0.00 4.03 3.00 -1.26 -4.69 116.66 120.86 2kua n ARG 113 Ca 0.04 0.07 -0.01 0.00 -0.01 0.00 0.00 57.85 57.94 2kua n ARG 113 Cb 0.44 -3.46 -0.00 0.00 0.00 0.00 0.00 32.46 29.44 2kua n ARG 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kua n ASP 114 N -1.48 0.38 -0.10 0.55 -0.08 -1.26 -4.92 116.55 109.64 2kua n ASP 114 Ca 0.06 0.06 -0.13 0.00 -1.51 0.00 0.00 54.79 53.27 2kua n ASP 114 Cb 0.34 -0.26 -0.12 0.00 2.34 0.00 0.00 41.12 43.43 2kua n ASP 114 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kua n LEU 115 N -2.86 1.84 -2.71 -2.67 -0.00 -1.26 -5.09 117.00 104.25 2kua n LEU 115 Ca -0.01 -0.08 -0.03 0.00 -0.00 0.00 0.00 56.01 55.89 2kua n LEU 115 Cb 0.05 -0.33 -0.02 0.00 -0.00 0.00 0.00 43.42 43.12 2kua n LEU 115 CO 0.02 0.72 -0.35 0.61 -0.00 0.00 0.00 177.39 178.39 2kua n GLY 116 N 2.21 -2.89 2.26 1.47 0.00 -1.26 -4.52 105.19 102.46 2kua n GLY 116 Ca -0.36 0.82 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 2kua n GLY 116 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2kua n ASN 117 N 2.08 0.58 -1.33 1.61 6.94 -1.26 -4.77 115.26 119.10 2kua n ASN 117 Ca -0.19 0.54 0.02 0.00 -0.02 0.00 0.00 54.58 54.93 2kua n ASN 117 Cb 0.29 -0.60 0.01 0.00 -2.36 0.00 0.00 39.78 37.12 2kua n ASN 117 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2kua n ARG 118 N 4.46 0.00 0.00 -3.83 1.85 -1.26 -4.82 116.66 113.06 2kua n ARG 118 Ca 0.33 -1.75 -0.00 0.00 -1.00 0.00 0.00 57.85 55.43 2kua n ARG 118 Cb -0.03 0.02 -0.00 0.00 -1.05 0.00 0.00 32.46 31.40 2kua n ARG 118 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2kua h VAL 119 N 6.70 0.00 0.17 8.89 2.07 -1.96 -3.33 116.25 128.79 2kua h VAL 119 Ca -0.25 -0.05 -0.36 0.00 0.82 0.00 0.00 66.70 66.86 2kua h VAL 119 Cb 1.78 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2kua h VAL 119 CO 0.04 0.00 -1.85 0.16 0.02 0.00 0.00 177.57 175.94 2kua h ILE 120 N -0.06 0.82 -0.96 4.57 -2.65 -1.92 -3.25 117.51 114.05 2kua h ILE 120 Ca -0.00 -2.45 0.22 0.00 1.03 0.00 0.00 64.86 63.66 2kua h ILE 120 Cb 0.01 2.67 -0.08 0.00 -2.05 0.00 0.00 36.82 37.37 2kua h ILE 120 CO 0.00 0.88 0.63 1.62 0.03 0.00 0.00 178.15 181.31 2kua h VAL 121 N 0.09 0.64 0.04 0.16 3.04 -1.81 0.17 116.25 118.57 2kua h VAL 121 Ca -0.38 -0.15 -0.19 0.00 -1.01 0.00 0.00 66.70 64.97 2kua h VAL 121 Cb 2.08 0.15 0.02 0.00 -2.01 0.00 0.00 31.29 31.52 2kua h VAL 121 CO 0.15 0.08 -0.77 0.00 -1.01 0.00 0.00 177.57 176.02 2kua h THR 122 N 0.45 1.41 -0.08 3.17 1.03 -1.70 -0.57 112.91 116.62 2kua h THR 122 Ca 0.52 -2.22 -0.00 0.00 -0.01 0.00 0.00 66.41 64.70 2kua h THR 122 Cb 1.25 2.69 -0.00 0.00 -1.07 0.00 0.00 68.15 71.01 2kua h THR 122 CO -0.23 0.65 0.04 0.08 -0.01 0.00 0.00 175.52 176.05 2kua h ARG 123 N -0.05 0.10 0.00 0.00 0.11 -1.18 0.31 114.38 113.68 2kua h ARG 123 Ca -0.11 -0.01 -0.10 0.00 0.10 0.00 0.00 59.98 59.86 2kua h ARG 123 Cb 1.49 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.53 2kua h ARG 123 CO 0.15 0.13 -0.49 0.38 0.10 0.00 0.00 179.97 180.24 2kua h ASP 124 N 0.05 0.00 0.05 0.08 3.04 -0.85 -2.91 116.42 115.87 2kua h ASP 124 Ca 0.03 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.81 2kua h ASP 124 Cb 0.06 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.35 2kua h ASP 124 CO -0.00 0.49 -0.02 0.00 -2.04 0.00 0.00 179.24 177.67 2kua h LEU 127 N 1.10 -0.12 -0.34 0.00 4.07 -1.51 0.02 115.31 118.53 2kua h LEU 127 Ca 0.29 -0.42 0.02 0.00 0.08 0.00 0.00 57.88 57.85 2kua h LEU 127 Cb -0.07 0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.67 2kua h LEU 127 CO -0.06 0.52 0.17 -0.29 -1.08 0.00 0.00 178.44 177.70 2kua h ILE 128 N -0.92 0.98 -0.11 1.22 2.10 -0.25 -2.35 117.51 118.19 2kua h ILE 128 Ca -0.01 -0.12 -0.13 0.00 1.08 0.00 0.00 64.86 65.67 2kua h ILE 128 Cb 0.53 0.60 -0.01 0.00 -1.09 0.00 0.00 36.82 36.85 2kua h ILE 128 CO 0.02 0.06 -0.52 0.58 -1.08 0.00 0.00 178.15 177.22 2kua h VAL 129 N 0.35 1.35 -0.93 2.19 2.07 -0.26 -2.96 116.25 118.05 2kua h VAL 129 Ca 0.14 -1.78 0.11 0.00 0.82 0.00 0.00 66.70 66.00 2kua h VAL 129 Cb 0.05 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.59 2kua h VAL 129 CO -0.10 0.53 0.60 -1.13 0.02 0.00 0.00 177.57 177.49 2kua h ASN 130 N 0.23 0.82 0.18 0.57 -0.73 -0.45 0.67 115.58 116.87 2kua h ASN 130 Ca 0.01 0.03 -0.01 0.00 1.87 0.00 0.00 56.30 58.20 2kua h ASN 130 Cb 0.99 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.45 2kua h ASN 130 CO 0.08 0.46 -0.09 0.15 -0.37 0.00 0.00 177.43 177.67 2kua h PHE 131 N 0.90 -0.22 0.41 0.67 3.57 -1.38 -2.91 116.94 117.98 2kua h PHE 131 Ca 0.45 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.93 2kua h PHE 131 Cb 0.48 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2kua h PHE 131 CO -0.00 0.16 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.89 2kua h LEU 132 N -0.94 -0.70 -0.53 0.59 3.38 -1.34 0.22 115.31 115.99 2kua h LEU 132 Ca -0.02 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.08 2kua h LEU 132 Cb 0.48 0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 2kua h LEU 132 CO 0.04 -0.43 -0.36 0.22 0.09 0.00 0.00 178.44 178.00 2kua h TYR 133 N -0.67 -1.02 0.00 1.13 3.20 0.21 0.36 116.97 120.18 2kua h TYR 133 Ca -0.04 0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 2kua h TYR 133 Cb 0.56 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 2kua h TYR 133 CO -0.11 -0.40 -0.25 -0.91 -1.64 0.00 0.00 178.16 174.85 2kua h ASN 134 N -0.21 0.00 -0.82 -2.11 2.35 -1.37 -0.76 115.58 112.66 2kua h ASN 134 Ca 0.20 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 56.01 2kua h ASN 134 Cb 0.55 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.87 2kua h ASN 134 CO -0.64 0.25 0.51 0.25 -1.65 0.00 0.00 177.43 176.14 2kua h LEU 135 N 0.00 0.80 -0.96 1.61 7.12 0.31 -1.87 115.31 122.31 2kua h LEU 135 Ca -0.00 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2kua h LEU 135 Cb 0.51 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 2kua h LEU 135 CO 0.03 0.52 -0.41 0.00 -0.13 0.00 0.00 178.44 178.45 2kua n LEU 136 N -4.64 1.91 -1.88 2.25 -0.00 -0.85 -4.13 117.00 109.66 2kua n LEU 136 Ca 0.11 -0.68 -0.05 0.00 -0.00 0.00 0.00 56.01 55.39 2kua n LEU 136 Cb 0.16 -0.02 0.28 0.00 -0.00 0.00 0.00 43.42 43.83 2kua n LEU 136 CO 0.31 0.35 0.97 0.80 -0.00 0.00 0.00 177.39 179.82 2kua n MET 137 N -0.05 3.49 -2.78 1.47 1.56 -0.31 -1.84 117.12 118.64 2kua n MET 137 Ca 0.10 -2.73 -0.25 0.00 -0.27 0.00 0.00 57.70 54.55 2kua n MET 137 Cb 0.45 -2.12 0.01 0.00 2.15 0.00 0.00 33.22 33.72 2kua n MET 137 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 2kua s GLY 138 N -0.82 1.56 0.14 -5.12 0.00 -1.13 -4.75 107.32 97.20 2kua s GLY 138 Ca 0.49 -0.88 -0.24 0.00 0.00 0.00 0.00 44.72 44.10 2kua s GLY 138 CO 0.12 -0.68 1.62 3.21 0.00 0.00 0.00 173.10 177.38 2kua h ARG 139 N 0.22 -0.29 0.12 2.90 2.47 -1.93 0.61 114.38 118.49 2kua h ARG 139 Ca -0.46 0.02 -0.19 0.00 -1.26 0.00 0.00 59.98 58.09 2kua h ARG 139 Cb 1.25 0.07 0.02 0.00 -1.65 0.00 0.00 29.97 29.65 2kua h ARG 139 CO 0.59 -0.19 -0.82 0.07 0.56 0.00 0.00 179.97 180.18 2kua h ARG 140 N -0.30 0.34 0.52 0.04 0.11 -1.94 -2.17 114.38 110.97 2kua h ARG 140 Ca 0.12 -0.53 -0.02 0.00 0.10 0.00 0.00 59.98 59.66 2kua h ARG 140 Cb 0.49 0.19 -0.02 0.00 1.11 0.00 0.00 29.97 31.74 2kua h ARG 140 CO -0.37 1.23 -0.45 0.45 0.10 0.00 0.00 179.97 180.94 2kua h HIS 141 N -0.29 -1.23 -0.12 4.08 3.86 -1.81 0.73 115.15 120.36 2kua h HIS 141 Ca -0.14 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.07 2kua h HIS 141 Cb 1.62 0.47 -0.01 0.00 1.06 0.00 0.00 27.41 30.55 2kua h HIS 141 CO 0.18 -0.61 0.07 -0.09 0.86 0.00 0.00 177.93 178.34 2kua h ARG 142 N -0.94 0.17 -0.80 2.45 1.12 0.10 0.28 114.38 116.76 2kua h ARG 142 Ca -0.07 -0.02 0.17 0.00 -1.11 0.00 0.00 59.98 58.95 2kua h ARG 142 Cb 0.80 -0.03 -0.11 0.00 -0.01 0.00 0.00 29.97 30.62 2kua h ARG 142 CO -0.02 0.20 0.32 0.00 -3.11 0.00 0.00 179.97 177.37 2kua h ALA 143 N 0.96 1.17 0.00 2.80 0.00 -1.31 -1.57 119.26 121.32 2kua h ALA 143 Ca 0.04 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2kua h ALA 143 Cb 0.08 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kua h ALA 143 CO -0.01 -0.25 -0.15 -0.09 0.00 0.00 0.00 179.25 178.75 2kua h ARG 144 N 0.43 0.10 -0.92 0.00 9.65 -0.58 -1.98 114.38 121.07 2kua h ARG 144 Ca 0.46 -0.11 0.25 0.00 -1.10 0.00 0.00 59.98 59.48 2kua h ARG 144 Cb 0.76 0.03 -0.16 0.00 -1.39 0.00 0.00 29.97 29.21 2kua h ARG 144 CO -0.45 0.89 0.11 1.25 2.80 0.00 0.00 179.97 184.57 2kua h LEU 145 N -0.66 -0.28 0.02 3.80 7.12 0.16 0.54 115.31 126.03 2kua h LEU 145 Ca -0.02 0.24 -0.23 0.00 0.13 0.00 0.00 57.88 58.00 2kua h LEU 145 Cb 0.95 0.39 -0.03 0.00 -0.53 0.00 0.00 40.66 41.44 2kua h LEU 145 CO 0.03 -0.27 -1.10 1.05 -0.13 0.00 0.00 178.44 178.02 2kua h GLU 146 N 0.08 0.05 0.00 1.25 4.11 -1.39 -1.08 114.58 117.60 2kua h GLU 146 Ca 0.56 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 59.92 2kua h GLU 146 Cb 1.15 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2kua h GLU 146 CO -0.79 1.00 0.00 0.00 0.07 0.00 0.00 179.01 179.29 2kua n ALA 147 N -2.40 1.05 -1.10 1.06 0.00 0.18 -0.53 120.51 118.77 2kua n ALA 147 Ca -0.03 0.20 0.04 0.00 0.00 0.00 0.00 53.44 53.66 2kua n ALA 147 Cb 0.96 -1.32 0.25 0.00 0.00 0.00 0.00 19.45 19.35 2kua n ALA 147 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2kua n LEU 148 N -2.26 4.17 0.00 0.00 -0.00 -0.67 -4.89 117.00 113.36 2kua n LEU 148 Ca -0.01 -3.20 0.00 0.00 -0.00 0.00 0.00 56.01 52.80 2kua n LEU 148 Cb 0.04 -0.59 0.00 0.00 -0.00 0.00 0.00 43.42 42.87 2kua n LEU 148 CO 0.10 0.81 0.00 0.61 -0.00 0.00 0.00 177.39 178.91 2kua n GLY 149 N -0.61 0.29 3.23 1.47 0.00 0.30 -4.62 105.19 105.26 2kua n GLY 149 Ca 0.26 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.39 2kua n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kua n GLY 150 N -1.67 -1.27 0.60 -0.02 0.00 -0.41 -1.33 105.19 101.09 2kua n GLY 150 Ca 0.00 -0.89 0.42 0.00 0.00 0.00 0.00 46.02 45.55 2kua n GLY 150 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2kua n TRP 151 N -2.91 0.00 -0.07 1.61 7.02 -1.26 0.18 117.44 122.02 2kua n TRP 151 Ca 0.01 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.38 2kua n TRP 151 Cb 0.35 -0.39 -0.04 0.00 -2.42 0.00 0.00 31.31 28.81 2kua n TRP 151 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 2kua h ASP 152 N 0.00 0.32 0.05 -0.99 5.19 -1.91 -2.13 116.42 116.95 2kua h ASP 152 Ca 0.74 -0.22 -0.06 0.00 -0.62 0.00 0.00 57.03 56.88 2kua h ASP 152 Cb 3.22 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 42.63 2kua h ASP 152 CO -0.01 0.46 -0.17 1.23 -3.12 0.00 0.00 179.24 177.63 2kua h GLY 153 N 0.18 0.27 0.65 2.75 0.00 0.32 -2.63 103.07 104.61 2kua h GLY 153 Ca 0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 2kua h GLY 153 CO -0.00 0.17 -0.24 -2.75 0.00 0.00 0.00 176.54 173.72 2kua h PHE 154 N 0.23 -0.62 -0.90 5.60 3.57 -1.30 0.59 116.94 124.11 2kua h PHE 154 Ca 0.04 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.70 2kua h PHE 154 Cb 0.45 0.21 -0.10 0.00 2.79 0.00 0.00 35.95 39.29 2kua h PHE 154 CO 0.01 -0.30 0.48 0.00 -2.23 0.00 0.00 178.31 176.27 2kua h ARG 156 N 0.63 0.00 -0.22 0.00 1.12 -1.45 -1.76 114.38 112.70 2kua h ARG 156 Ca 0.51 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 59.29 2kua h ARG 156 Cb 0.79 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.75 2kua h ARG 156 CO -0.39 0.69 -0.22 0.35 -3.11 0.00 0.00 179.97 177.29 2kua h PHE 157 N 0.00 0.65 -0.01 2.20 3.57 0.29 -3.05 116.94 120.59 2kua h PHE 157 Ca -0.01 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.30 2kua h PHE 157 Cb 1.51 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.11 2kua h PHE 157 CO 0.00 0.88 -0.16 1.19 -2.23 0.00 0.00 178.31 177.98 2kua n PHE 158 N -4.40 0.00 -3.20 0.41 3.01 0.44 -5.00 117.46 108.72 2kua n PHE 158 Ca -0.05 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.21 2kua n PHE 158 Cb 0.42 -0.09 0.02 0.00 -0.01 0.00 0.00 39.48 39.82 2kua n PHE 158 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2kua n LYS 159 N -0.43 -1.91 -1.31 -1.08 4.01 -0.69 -4.85 118.16 111.91 2kua n LYS 159 Ca 0.15 1.63 -0.37 0.00 -0.51 0.00 0.00 58.31 59.21 2kua n LYS 159 Cb 0.34 -3.12 0.06 0.00 -0.51 0.00 0.00 35.03 31.80 2kua n LYS 159 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2kua n ASN 160 N 0.15 -1.14 -0.02 4.39 2.85 -1.05 -4.93 115.26 115.51 2kua n ASN 160 Ca -0.01 0.63 -0.13 0.00 -0.11 0.00 0.00 54.58 54.96 2kua n ASN 160 Cb 0.52 -1.21 -0.10 0.00 1.24 0.00 0.00 39.78 40.24 2kua n ASN 160 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2kua h PRO 161 N -0.22 0.02 -7.17 1.20 0.13 -1.90 -3.45 132.00 120.61 2kua h PRO 161 Ca -0.46 -0.01 -0.52 0.00 -0.87 0.00 0.00 66.00 64.15 2kua h PRO 161 Cb 1.36 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.70 2kua h PRO 161 CO 0.44 0.50 0.05 1.28 -0.23 0.00 0.00 178.00 180.03 2kua n LEU 162 N -4.84 2.30 0.00 1.56 7.99 -1.26 -5.01 117.00 117.73 2kua n LEU 162 Ca -0.08 0.35 0.00 0.00 -0.01 0.00 0.00 56.01 56.27 2kua n LEU 162 Cb 0.26 -1.41 0.00 0.00 -0.11 0.00 0.00 43.42 42.16 2kua n LEU 162 CO 0.34 -2.51 0.00 -0.81 -1.51 0.00 0.00 177.39 172.90 2kua n PRO 163 N -3.84 0.00 -2.98 3.23 -0.04 -1.26 -4.98 135.00 125.13 2kua n PRO 163 Ca 0.10 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 2kua n PRO 163 Cb 0.53 -0.25 0.06 0.00 -0.04 0.00 0.00 33.50 33.80 2kua n PRO 163 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kua s LEU 164 N 0.00 3.16 0.00 1.53 1.02 -1.26 -5.05 118.68 118.09 2kua s LEU 164 Ca 0.00 -0.73 0.00 0.00 0.02 0.00 0.00 54.13 53.42 2kua s LEU 164 Cb 0.00 -1.82 0.00 0.00 0.02 0.00 0.00 46.19 44.39 2kua s LEU 164 CO 0.00 -1.32 0.00 0.61 0.02 0.00 0.00 176.35 175.66