#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 -0.14 -6.54 1.61 0.13 -2.11 -3.46 132.00 121.49 2kua h PRO -4 Ca 0.00 0.01 -0.36 0.00 -0.87 0.00 0.00 66.00 64.78 2kua h PRO -4 Cb 0.00 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.08 2kua h PRO -4 CO 0.00 0.30 -0.57 -0.11 -0.23 0.00 0.00 178.00 177.39 2kua n LEU -3 N -4.93 -0.39 0.00 1.56 7.94 -1.26 -4.78 117.00 115.14 2kua n LEU -3 Ca -0.09 -0.75 0.00 0.00 -1.11 0.00 0.00 56.01 54.06 2kua n LEU -3 Cb 0.26 -0.92 0.00 0.00 0.53 0.00 0.00 43.42 43.28 2kua n LEU -3 CO 0.31 0.35 0.00 0.61 -1.11 0.00 0.00 177.39 177.55 2kua n GLY -2 N -1.82 2.26 3.40 -3.96 0.00 -1.26 -5.16 105.19 98.65 2kua n GLY -2 Ca -0.15 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.10 2kua n GLY -2 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kua s SER 0 N 0.00 -0.45 -0.11 1.61 0.01 -1.26 -5.05 113.70 108.45 2kua s SER 0 Ca 0.00 0.63 -0.07 0.00 1.31 0.00 0.00 55.95 57.82 2kua s SER 0 Cb 0.00 1.46 -0.27 0.00 0.21 0.00 0.00 66.02 67.42 2kua s SER 0 CO 0.00 -0.09 0.41 0.00 0.41 0.00 0.00 173.24 173.97 2kua h MET 1 N 7.12 0.28 -5.65 12.44 -0.00 -2.01 -3.48 114.93 123.63 2kua h MET 1 Ca -0.17 -0.49 -0.53 0.00 -0.00 0.00 0.00 59.70 58.51 2kua h MET 1 Cb 1.13 0.18 -0.14 0.00 -0.00 0.00 0.00 31.60 32.77 2kua h MET 1 CO 0.10 1.23 -0.68 0.00 -0.00 0.00 0.00 176.91 177.56 2kua s ALA 2 N -2.56 2.52 0.07 -3.00 0.00 -1.26 -5.09 121.76 112.44 2kua s ALA 2 Ca -0.21 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 49.79 2kua s ALA 2 Cb 0.06 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.29 2kua s ALA 2 CO 0.78 -0.02 0.00 -3.47 0.00 0.00 0.00 175.76 173.05 2kua n ASP 3 N -0.64 0.30 -3.55 0.00 -0.08 -1.26 -5.04 116.55 106.28 2kua n ASP 3 Ca -0.05 0.11 -0.29 0.00 -1.51 0.00 0.00 54.79 53.04 2kua n ASP 3 Cb 0.63 -0.04 -0.14 0.00 2.34 0.00 0.00 41.12 43.92 2kua n ASP 3 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2kua s SER 4 N -5.10 3.38 0.14 1.67 0.15 -1.26 -4.90 113.70 107.78 2kua s SER 4 Ca 0.00 -1.85 -0.14 0.00 0.70 0.00 0.00 55.95 54.65 2kua s SER 4 Cb 0.00 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2kua s SER 4 CO 0.00 -0.36 1.64 1.56 1.20 0.00 0.00 173.24 177.27 2kua h GLN 5 N 7.61 0.71 -6.86 5.44 1.08 -2.00 -3.44 115.11 117.65 2kua h GLN 5 Ca -0.06 -0.17 -0.50 0.00 -1.45 0.00 0.00 58.65 56.47 2kua h GLN 5 Cb 0.98 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 28.34 2kua h GLN 5 CO 0.38 0.72 0.10 -0.51 -0.95 0.00 0.00 178.83 178.56 2kua s ASP 6 N -6.07 6.43 0.17 1.46 1.11 -1.26 -5.01 116.67 113.51 2kua s ASP 6 Ca -0.13 1.05 -0.07 0.00 0.18 0.00 0.00 52.55 53.58 2kua s ASP 6 Cb 0.11 -2.29 0.06 0.00 1.07 0.00 0.00 42.92 41.86 2kua s ASP 6 CO 0.78 -0.45 1.52 1.55 1.18 0.00 0.00 175.17 179.75 2kua h PRO 7 N 0.95 0.79 -0.40 8.23 0.13 -2.05 -3.14 132.00 136.51 2kua h PRO 7 Ca -0.47 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 2kua h PRO 7 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kua h PRO 7 CO 0.63 1.04 0.00 1.47 -0.23 0.00 0.00 178.00 180.91 2kua n LEU 8 N -4.04 3.21 0.00 1.56 -0.00 -1.26 -4.63 117.00 111.84 2kua n LEU 8 Ca -0.02 -1.68 0.00 0.00 -0.00 0.00 0.00 56.01 54.31 2kua n LEU 8 Cb 0.54 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 2kua n LEU 8 CO 0.47 0.74 0.43 1.57 -0.00 0.00 0.00 177.39 180.61 2kua n HIS 9 N 1.13 0.00 0.17 1.47 -0.00 -1.19 -1.03 115.22 115.77 2kua n HIS 9 Ca 0.16 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.46 2kua n HIS 9 Cb 0.51 -0.36 0.60 0.00 -0.12 0.00 0.00 29.99 30.62 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 -1.82 0.14 0.01 1.57 2.13 -1.26 -1.34 120.64 120.08 2kua n GLU 10 Ca 0.00 0.64 -0.18 0.00 0.66 0.00 0.00 57.16 58.28 2kua n GLU 10 Cb 0.00 -1.98 -0.08 0.00 0.27 0.00 0.00 31.44 29.66 2kua n GLU 10 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kua h ARG 11 N 0.00 0.71 -0.10 5.31 3.08 -1.65 -2.69 114.38 119.04 2kua h ARG 11 Ca 0.00 -0.66 -0.20 0.00 0.07 0.00 0.00 59.98 59.19 2kua h ARG 11 Cb 0.02 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2kua h ARG 11 CO 0.00 1.26 -0.75 1.15 -1.07 0.00 0.00 179.97 180.56 2kua h THR 12 N 0.45 1.34 0.16 2.04 2.02 0.22 -2.07 112.91 117.08 2kua h THR 12 Ca -0.09 -2.08 -0.01 0.00 0.77 0.00 0.00 66.41 65.01 2kua h THR 12 Cb 1.53 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 2kua h THR 12 CO 0.18 0.64 -0.08 -0.09 0.37 0.00 0.00 175.52 176.54 2kua h ARG 13 N 0.37 -0.21 -0.52 6.66 9.65 -1.56 0.74 114.38 129.51 2kua h ARG 13 Ca -0.04 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 2kua h ARG 13 Cb 1.34 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.94 2kua h ARG 13 CO 0.14 0.02 0.22 0.07 2.80 0.00 0.00 179.97 183.21 2kua h ARG 14 N -0.41 0.77 -0.30 0.20 -0.00 -1.55 0.24 114.38 113.33 2kua h ARG 14 Ca -0.02 -0.14 -0.01 0.00 -0.00 0.00 0.00 59.98 59.81 2kua h ARG 14 Cb 0.32 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.97 30.15 2kua h ARG 14 CO 0.04 0.67 0.15 1.25 -0.00 0.00 0.00 179.97 182.08 2kua h LEU 15 N 0.70 0.38 -0.06 0.08 5.85 -1.32 0.46 115.31 121.40 2kua h LEU 15 Ca 0.17 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2kua h LEU 15 Cb 0.18 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.11 2kua h LEU 15 CO -0.02 0.38 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.38 2kua h LEU 16 N 0.35 0.11 -0.82 2.25 4.07 -0.69 -2.76 115.31 117.82 2kua h LEU 16 Ca 0.10 -0.37 -0.04 0.00 0.08 0.00 0.00 57.88 57.66 2kua h LEU 16 Cb 0.10 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.77 2kua h LEU 16 CO -0.01 0.45 0.37 0.28 -1.08 0.00 0.00 178.44 178.45 2kua h SER 17 N -0.23 1.09 -0.58 -0.43 0.02 -0.46 -2.73 113.55 110.22 2kua h SER 17 Ca 0.01 -0.15 0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2kua h SER 17 Cb 0.40 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.61 2kua h SER 17 CO 0.01 0.94 0.27 0.44 -1.14 0.00 0.00 176.83 177.34 2kua h ASP 18 N 1.17 0.35 -0.85 3.07 5.19 -0.04 -1.78 116.42 123.53 2kua h ASP 18 Ca 0.28 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.77 2kua h ASP 18 Cb 0.15 -0.01 -0.05 0.00 0.18 0.00 0.00 39.33 39.60 2kua h ASP 18 CO -0.03 0.23 0.55 0.22 -3.12 0.00 0.00 179.24 177.08 2kua h TYR 19 N 0.50 1.03 -0.71 4.55 3.20 -1.19 -2.17 116.97 122.18 2kua h TYR 19 Ca 0.27 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.29 2kua h TYR 19 Cb 0.25 -0.34 -0.08 0.00 1.54 0.00 0.00 36.73 38.09 2kua h TYR 19 CO -0.12 0.59 0.30 0.82 -1.64 0.00 0.00 178.16 178.11 2kua h ILE 20 N 1.07 0.73 -0.14 1.81 1.08 -1.15 -0.92 117.51 119.99 2kua h ILE 20 Ca 0.34 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.62 2kua h ILE 20 Cb 0.00 0.21 -0.00 0.00 -3.07 0.00 0.00 36.82 33.96 2kua h ILE 20 CO -0.11 0.09 -0.01 -0.26 -0.69 0.00 0.00 178.15 177.17 2kua h PHE 21 N 0.48 0.27 -0.37 1.37 -1.00 -1.23 -1.89 116.94 114.57 2kua h PHE 21 Ca 0.37 -0.05 0.11 0.00 2.81 0.00 0.00 57.97 61.21 2kua h PHE 21 Cb 0.50 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 2kua h PHE 21 CO -0.15 0.49 0.29 0.35 -1.61 0.00 0.00 178.31 177.68 2kua h PHE 22 N -0.02 0.00 0.00 -0.55 3.04 -0.78 0.35 116.94 118.98 2kua h PHE 22 Ca 0.04 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2kua h PHE 22 Cb 0.38 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.89 2kua h PHE 22 CO 0.04 0.00 -0.57 0.00 -2.02 0.00 0.00 178.31 175.76 2kua n ALA 24 N -1.74 2.64 -3.57 0.00 0.00 0.12 -4.71 120.51 113.25 2kua n ALA 24 Ca 0.04 -0.25 -0.35 0.00 0.00 0.00 0.00 53.44 52.88 2kua n ALA 24 Cb 0.41 -1.01 -0.14 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.43 2.70 0.62 0.00 0.52 -1.24 -5.06 118.95 115.05 2kua s ARG 25 Ca 0.08 -1.09 -0.16 0.00 -0.52 0.00 0.00 55.73 54.04 2kua s ARG 25 Cb 0.05 -3.15 -0.13 0.00 0.52 0.00 0.00 34.95 32.24 2kua s ARG 25 CO 0.03 -0.51 -0.34 0.39 0.02 0.00 0.00 175.30 174.89 2kua n GLU 26 N 4.69 0.00 0.00 3.54 1.02 -1.26 -4.77 120.64 123.86 2kua n GLU 26 Ca -0.15 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.06 2kua n GLU 26 Cb 0.45 -0.90 0.31 0.00 -0.02 0.00 0.00 31.44 31.29 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 1.68 0.02 -0.10 3.49 -0.04 -1.26 -2.08 135.00 136.70 2kua n PRO 27 Ca 0.04 0.25 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 2kua n PRO 27 Cb 0.45 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.74 2kua n PRO 27 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kua n ASP 28 N -1.48 1.73 -3.88 3.54 2.03 -1.26 -4.84 116.55 112.38 2kua n ASP 28 Ca 0.04 -1.77 -0.13 0.00 0.52 0.00 0.00 54.79 53.45 2kua n ASP 28 Cb 0.16 -0.13 -0.14 0.00 -0.72 0.00 0.00 41.12 40.28 2kua n ASP 28 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2kua s THR 29 N -1.73 0.10 0.23 5.18 -1.32 -0.88 -5.14 115.64 112.08 2kua s THR 29 Ca 0.31 -0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.45 2kua s THR 29 Cb 0.16 -0.10 -0.09 0.00 -1.51 0.00 0.00 72.50 70.96 2kua s THR 29 CO 0.24 0.04 1.28 -2.16 -2.21 0.00 0.00 174.62 171.81 2kua s PRO 30 N 0.06 4.42 0.49 7.08 0.04 -1.26 -4.72 135.00 141.10 2kua s PRO 30 Ca -0.00 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.97 2kua s PRO 30 Cb -0.02 -3.17 -0.06 0.00 0.04 0.00 0.00 34.50 31.29 2kua s PRO 30 CO -0.00 -0.18 0.88 -1.21 0.04 0.00 0.00 177.00 176.53 2kua s GLU 31 N -0.61 3.77 0.96 4.56 0.41 -1.26 -5.07 118.70 121.46 2kua s GLU 31 Ca 0.54 0.63 -0.12 0.00 -0.41 0.00 0.00 54.97 55.60 2kua s GLU 31 Cb -0.36 -2.26 0.16 0.00 -1.78 0.00 0.00 34.13 29.89 2kua s GLU 31 CO 0.41 -0.22 1.09 -1.25 -0.49 0.00 0.00 175.26 174.80 2kua s PRO 32 N -4.27 0.76 1.02 0.39 0.04 -1.26 -5.04 135.00 126.63 2kua s PRO 32 Ca 0.54 0.64 -0.13 0.00 0.04 0.00 0.00 61.00 62.09 2kua s PRO 32 Cb -0.10 -1.77 0.20 0.00 0.04 0.00 0.00 34.50 32.87 2kua s PRO 32 CO 0.37 -2.54 1.09 -1.25 0.04 0.00 0.00 177.00 174.72 2kua s PRO 33 N -4.95 0.28 1.23 0.56 0.04 -1.26 -5.04 135.00 125.86 2kua s PRO 33 Ca 0.65 0.47 -0.20 0.00 0.04 0.00 0.00 61.00 61.95 2kua s PRO 33 Cb -0.18 -1.72 0.30 0.00 0.04 0.00 0.00 34.50 32.93 2kua s PRO 33 CO 0.57 -2.82 1.11 -1.25 0.04 0.00 0.00 177.00 174.65 2kua s PRO 34 N -4.97 -1.46 -0.04 0.56 0.04 -1.26 -5.04 135.00 122.82 2kua s PRO 34 Ca 0.66 -0.14 -0.00 0.00 0.04 0.00 0.00 61.00 61.55 2kua s PRO 34 Cb -0.19 -1.57 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 2kua s PRO 34 CO 0.58 -3.86 -0.04 -2.37 0.04 0.00 0.00 177.00 171.35 2kua n THR 35 N -4.85 0.24 -4.19 1.26 5.66 -1.26 -5.01 114.28 106.13 2kua n THR 35 Ca 0.14 -0.08 -0.11 0.00 -3.05 0.00 0.00 64.05 60.95 2kua n THR 35 Cb 0.60 -0.92 -0.04 0.00 -1.55 0.00 0.00 70.33 68.42 2kua n THR 35 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2kua n SER 36 N -2.79 0.19 -0.07 1.09 3.41 -1.26 -5.01 113.62 109.17 2kua n SER 36 Ca -0.08 -2.12 -0.10 0.00 -0.26 0.00 0.00 58.87 56.31 2kua n SER 36 Cb 0.57 0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 65.22 2kua n SER 36 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2kua h VAL 37 N 1.47 1.15 -0.07 -3.33 2.07 -1.99 -0.96 116.25 114.59 2kua h VAL 37 Ca -0.14 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 2kua h VAL 37 Cb 0.62 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2kua h VAL 37 CO 0.21 0.15 -0.14 1.05 0.02 0.00 0.00 177.57 178.86 2kua h GLU 38 N 0.24 0.10 -0.06 1.57 4.11 -1.97 -2.30 114.58 116.28 2kua h GLU 38 Ca 0.08 -0.02 -0.19 0.00 0.07 0.00 0.00 59.36 59.30 2kua h GLU 38 Cb 0.14 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2kua h GLU 38 CO -0.01 0.25 -0.77 0.00 0.07 0.00 0.00 179.01 178.55 2kua h ALA 39 N 1.76 0.56 0.26 1.06 0.00 -1.84 -2.04 119.26 119.02 2kua h ALA 39 Ca 0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 2kua h ALA 39 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2kua h ALA 39 CO 0.02 0.78 -0.12 0.00 0.00 0.00 0.00 179.25 179.93 2kua h ALA 40 N 0.92 -0.35 0.08 0.00 0.00 -0.64 -1.98 119.26 117.28 2kua h ALA 40 Ca -0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2kua h ALA 40 Cb 1.36 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2kua h ALA 40 CO 0.13 -0.55 -0.04 1.25 0.00 0.00 0.00 179.25 180.04 2kua h LEU 41 N -0.63 -0.09 -0.68 0.00 6.46 -1.54 -2.48 115.31 116.35 2kua h LEU 41 Ca -0.04 -0.12 0.14 0.00 -0.12 0.00 0.00 57.88 57.74 2kua h LEU 41 Cb 0.45 0.02 -0.10 0.00 -0.73 0.00 0.00 40.66 40.30 2kua h LEU 41 CO 0.06 0.07 0.15 0.25 -0.62 0.00 0.00 178.44 178.34 2kua h LEU 42 N -0.24 -0.01 -1.97 2.25 5.85 -1.42 0.60 115.31 120.37 2kua h LEU 42 Ca -0.01 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 2kua h LEU 42 Cb 0.21 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 2kua h LEU 42 CO 0.02 -0.03 -0.11 -0.09 -0.34 0.00 0.00 178.44 177.89 2kua h ARG 43 N 0.26 0.00 0.18 1.25 1.12 -1.20 1.96 114.38 117.95 2kua h ARG 43 Ca 0.38 0.00 -0.34 0.00 -1.11 0.00 0.00 59.98 58.90 2kua h ARG 43 Cb 0.61 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.58 2kua h ARG 43 CO -0.48 0.11 -1.71 1.03 -3.11 0.00 0.00 179.97 175.82 2kua h SER 44 N 0.00 0.58 0.00 -3.80 0.87 0.36 -3.23 113.55 108.32 2kua h SER 44 Ca -0.00 -0.85 -0.10 0.00 -1.23 0.00 0.00 61.79 59.61 2kua h SER 44 Cb 0.27 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2kua h SER 44 CO 0.01 1.72 -0.84 1.33 -0.53 0.00 0.00 176.83 178.52 2kua n VAL 45 N -3.56 1.47 -0.30 2.23 0.24 0.16 -4.12 118.33 114.43 2kua n VAL 45 Ca -0.23 0.11 0.18 0.00 -2.04 0.00 0.00 64.34 62.37 2kua n VAL 45 Cb 1.07 -2.25 0.45 0.00 -1.47 0.00 0.00 33.84 31.65 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 0.64 -0.32 3.34 1.03 0.29 0.36 112.91 117.25 2kua h THR 46 Ca -0.15 -0.18 0.03 0.00 -0.01 0.00 0.00 66.41 66.10 2kua h THR 46 Cb 0.85 0.08 -0.02 0.00 -1.07 0.00 0.00 68.15 67.99 2kua h THR 46 CO -0.09 0.09 0.21 0.08 -0.01 0.00 0.00 175.52 175.81 2kua h ARG 47 N 0.51 0.30 0.03 0.00 -0.00 -1.57 -1.39 114.38 112.27 2kua h ARG 47 Ca 0.54 -0.02 -0.23 0.00 -0.00 0.00 0.00 59.98 60.28 2kua h ARG 47 Cb 1.20 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 31.08 2kua h ARG 47 CO -0.28 0.20 -1.09 -0.56 -0.00 0.00 0.00 179.97 178.24 2kua h GLN 48 N 0.31 0.07 -0.14 0.08 -0.00 -0.46 -2.93 115.11 112.03 2kua h GLN 48 Ca 0.13 -0.12 -0.04 0.00 -0.00 0.00 0.00 58.65 58.62 2kua h GLN 48 Cb 0.14 0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.66 2kua h GLN 48 CO -0.03 1.04 -0.10 0.82 -0.00 0.00 0.00 178.83 180.56 2kua h ILE 49 N 0.02 1.16 0.00 1.86 1.08 -0.64 -2.28 117.51 118.71 2kua h ILE 49 Ca -0.05 -0.67 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 2kua h ILE 49 Cb 1.83 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 36.74 2kua h ILE 49 CO 0.15 0.21 -0.05 1.56 -0.69 0.00 0.00 178.15 179.33 2kua h GLN 50 N 0.21 0.00 -0.00 2.37 4.20 -1.51 -1.16 115.11 119.22 2kua h GLN 50 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 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 0.02 0.00 0.58 -0.56 -0.67 0.00 0.00 178.83 178.20 2kua h GLN 51 N -0.91 0.00 0.04 1.46 3.07 -1.55 5.40 115.11 122.61 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 0.05 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.56 2kua h GLN 51 CO 0.00 0.00 -2.29 -0.85 0.09 0.00 0.00 178.83 175.78 2kua n GLU 52 N -2.74 0.67 -0.11 0.06 0.28 -0.86 -4.60 120.64 113.34 2kua n GLU 52 Ca -0.01 0.21 -0.19 0.00 -0.16 0.00 0.00 57.16 57.01 2kua n GLU 52 Cb 0.61 -1.58 -0.09 0.00 1.43 0.00 0.00 31.44 31.81 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 -3.47 0.00 -0.07 -1.84 8.25 0.69 -4.42 115.22 114.35 2kua n HIS 53 Ca -0.42 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.23 2kua n HIS 53 Cb 0.98 -0.82 0.30 0.00 1.12 0.00 0.00 29.99 31.57 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 -3.54 0.02 -0.34 -0.41 -0.00 1.73 0.27 117.38 115.09 2kua n GLN 54 Ca -0.41 0.94 0.32 0.00 -0.00 0.00 0.00 57.00 57.84 2kua n GLN 54 Cb 0.87 -2.39 0.66 0.00 -0.00 0.00 0.00 30.24 29.38 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 0.14 0.00 2.61 5.08 -1.76 0.19 114.58 120.84 2kua h GLU 55 Ca 0.34 -0.01 -0.33 0.00 -1.00 0.00 0.00 59.36 58.36 2kua h GLU 55 Cb 2.53 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 31.69 2kua h GLU 55 CO -0.00 0.09 -2.26 1.19 -1.00 0.00 0.00 179.01 177.03 2kua n PHE 56 N -4.37 0.00 0.07 4.33 3.01 0.14 -4.37 117.46 116.27 2kua n PHE 56 Ca 0.27 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.61 2kua n PHE 56 Cb 1.16 -0.85 -0.05 0.00 -0.01 0.00 0.00 39.48 39.73 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 -0.89 -0.77 1.38 0.04 -1.35 -1.90 116.94 113.45 2kua h PHE 57 Ca -0.49 0.03 0.17 0.00 2.80 0.00 0.00 57.97 60.47 2kua h PHE 57 Cb 1.79 0.39 -0.11 0.00 2.20 0.00 0.00 35.95 40.22 2kua h PHE 57 CO 0.02 -0.42 0.26 1.03 -0.60 0.00 0.00 178.31 178.60 2kua h SER 58 N -0.48 0.16 -0.96 2.17 0.87 -1.24 0.22 113.55 114.28 2kua h SER 58 Ca 0.06 0.14 0.19 0.00 -1.23 0.00 0.00 61.79 60.94 2kua h SER 58 Cb 0.56 0.15 -0.09 0.00 -0.44 0.00 0.00 62.40 62.59 2kua h SER 58 CO -0.26 0.01 0.61 -1.28 -0.53 0.00 0.00 176.83 175.38 2kua h SER 59 N 0.35 0.65 0.19 6.23 0.87 -1.55 -1.08 113.55 119.22 2kua h SER 59 Ca 0.44 0.07 -0.30 0.00 -1.23 0.00 0.00 61.79 60.77 2kua h SER 59 Cb 0.75 -0.05 0.03 0.00 -0.44 0.00 0.00 62.40 62.69 2kua h SER 59 CO -0.48 0.26 -1.29 -0.26 -0.53 0.00 0.00 176.83 174.53 2kua h PHE 60 N 0.65 0.93 -1.02 2.24 0.04 -0.43 -3.12 116.94 116.23 2kua h PHE 60 Ca 0.52 -0.64 0.24 0.00 2.80 0.00 0.00 57.97 60.90 2kua h PHE 60 Cb 0.96 -0.05 -0.11 0.00 2.20 0.00 0.00 35.95 38.95 2kua h PHE 60 CO -0.00 1.49 0.62 0.00 -0.60 0.00 0.00 178.31 179.82 2kua n GLU 62 N -4.77 2.39 0.01 0.00 0.28 -0.91 -3.81 120.64 113.83 2kua n GLU 62 Ca 0.26 -3.08 -0.00 0.00 -0.16 0.00 0.00 57.16 54.18 2kua n GLU 62 Cb 0.77 -2.03 -0.00 0.00 1.43 0.00 0.00 31.44 31.61 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 -0.93 0.17 0.11 -1.84 2.88 0.15 -4.85 113.62 109.32 2kua n SER 63 Ca 0.44 0.02 0.08 0.00 -1.33 0.00 0.00 58.87 58.08 2kua n SER 63 Cb 1.33 -0.08 0.01 0.00 -0.75 0.00 0.00 64.21 64.72 2kua n SER 63 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2kua h ARG 64 N -0.01 0.00 0.00 -1.46 2.47 -1.71 -3.48 114.38 110.20 2kua h ARG 64 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2kua h ARG 64 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2kua h ARG 64 CO 0.00 0.14 0.00 0.41 0.56 0.00 0.00 179.97 181.08 2kua n GLY 65 N 1.23 1.81 1.34 0.04 0.00 -1.25 -4.86 105.19 103.50 2kua n GLY 65 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 4.02 -0.33 1.61 4.13 -1.26 -4.59 115.26 118.84 2kua n ASN 66 Ca 0.00 -2.38 0.27 0.00 1.68 0.00 0.00 54.58 54.15 2kua n ASN 66 Cb 0.00 -0.75 0.44 0.00 -1.54 0.00 0.00 39.78 37.93 2kua n ASN 66 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kua n ARG 67 N 0.55 -0.02 -0.03 3.52 1.74 -1.26 0.23 116.66 121.40 2kua n ARG 67 Ca 0.09 0.73 -0.12 0.00 -0.77 0.00 0.00 57.85 57.78 2kua n ARG 67 Cb 0.63 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.46 2kua n ARG 67 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2kua h LEU 68 N 0.00 -0.04 -1.39 0.55 5.85 -1.91 -2.76 115.31 115.61 2kua h LEU 68 Ca 0.54 -0.66 0.28 0.00 0.84 0.00 0.00 57.88 58.88 2kua h LEU 68 Cb 1.90 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.84 2kua h LEU 68 CO -0.20 0.70 0.69 -0.33 -0.34 0.00 0.00 178.44 178.96 2kua h GLU 69 N -0.83 0.34 -0.02 1.25 3.07 0.24 0.38 114.58 119.03 2kua h GLU 69 Ca -0.00 -0.02 -0.22 0.00 -0.50 0.00 0.00 59.36 58.61 2kua h GLU 69 Cb 0.70 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 2kua h GLU 69 CO 0.01 0.23 -0.91 -0.07 -1.40 0.00 0.00 179.01 176.87 2kua h LEU 70 N 0.35 0.55 -0.41 1.33 -0.00 -1.43 -2.01 115.31 113.70 2kua h LEU 70 Ca 0.61 -0.43 0.01 0.00 -0.00 0.00 0.00 57.88 58.07 2kua h LEU 70 Cb 1.61 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 42.08 2kua h LEU 70 CO -0.29 1.22 0.26 1.62 -0.00 0.00 0.00 178.44 181.24 2kua h VAL 71 N 0.25 1.09 -0.10 1.22 3.04 0.04 -0.01 116.25 121.78 2kua h VAL 71 Ca -0.07 -0.18 -0.12 0.00 -1.01 0.00 0.00 66.70 65.32 2kua h VAL 71 Cb 1.54 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 2kua h VAL 71 CO 0.16 0.10 -0.40 0.07 -1.01 0.00 0.00 177.57 176.48 2kua h LYS 72 N 0.53 0.45 -0.17 4.17 2.10 -1.40 -2.70 116.57 119.55 2kua h LYS 72 Ca 0.15 -0.35 0.04 0.00 -2.00 0.00 0.00 60.65 58.49 2kua h LYS 72 Cb -0.04 0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 31.31 2kua h LYS 72 CO -0.05 0.98 -0.09 1.96 -2.00 0.00 0.00 179.45 180.25 2kua h GLN 73 N 0.02 -0.08 0.44 0.07 7.50 -1.22 -1.67 115.11 120.17 2kua h GLN 73 Ca -0.02 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.12 2kua h GLN 73 Cb 1.04 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.58 2kua h GLN 73 CO 0.08 -0.05 -0.29 0.52 -1.50 0.00 0.00 178.83 177.60 2kua h MET 74 N -0.08 -0.68 -0.13 1.46 2.86 -1.07 -1.34 114.93 115.95 2kua h MET 74 Ca 0.10 0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.82 2kua h MET 74 Cb 0.22 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 2kua h MET 74 CO -0.22 -0.45 0.42 0.00 1.06 0.00 0.00 176.91 177.72 2kua h ALA 75 N -0.21 1.62 0.05 6.32 0.00 -1.26 0.50 119.26 126.29 2kua h ALA 75 Ca -0.05 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.61 2kua h ALA 75 Cb 0.58 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2kua h ALA 75 CO 0.04 -0.49 -1.25 0.22 0.00 0.00 0.00 179.25 177.77 2kua h ASP 76 N 0.00 0.16 0.01 0.00 3.58 -0.30 -0.28 116.42 119.59 2kua h ASP 76 Ca 0.06 -0.19 -0.05 0.00 0.42 0.00 0.00 57.03 57.27 2kua h ASP 76 Cb 0.91 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.91 2kua h ASP 76 CO -0.00 1.16 -0.22 0.07 -2.88 0.00 0.00 179.24 177.37 2kua h LYS 77 N 0.03 0.12 0.00 0.28 2.10 0.52 -3.40 116.57 116.23 2kua h LYS 77 Ca -0.12 -0.15 -0.01 0.00 -2.00 0.00 0.00 60.65 58.37 2kua h LYS 77 Cb 1.89 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 33.27 2kua h LYS 77 CO 0.14 0.95 -0.14 1.37 -2.00 0.00 0.00 179.45 179.78 2kua h LEU 78 N -0.63 0.00-10.08 7.07 -0.00 -1.36 -3.47 115.31 106.83 2kua h LEU 78 Ca -0.03 -0.32 -0.52 0.00 -0.00 0.00 0.00 57.88 57.00 2kua h LEU 78 Cb 1.04 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 2kua h LEU 78 CO 0.04 0.74 -0.19 -0.76 -0.00 0.00 0.00 178.44 178.27 2kua s LEU 79 N -8.37 4.11 0.00 0.17 2.01 -0.12 -4.81 118.68 111.67 2kua s LEU 79 Ca -0.09 0.65 -0.14 0.00 0.01 0.00 0.00 54.13 54.56 2kua s LEU 79 Cb -0.00 -3.45 0.05 0.00 0.01 0.00 0.00 46.19 42.80 2kua s LEU 79 CO 0.26 -0.15 0.71 -0.24 1.01 0.00 0.00 176.35 177.95 2kua n SER 80 N -0.80 -1.78 -0.11 2.29 2.88 -1.26 -3.70 113.62 111.14 2kua n SER 80 Ca -0.02 -2.16 -0.13 0.00 -1.33 0.00 0.00 58.87 55.23 2kua n SER 80 Cb 0.54 2.95 -0.14 0.00 -0.75 0.00 0.00 64.21 66.81 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 -0.49 0.73 -0.00 -1.46 2.85 -1.26 -4.46 118.16 114.07 2kua n LYS 81 Ca -0.06 0.05 0.09 0.00 -1.05 0.00 0.00 58.31 57.34 2kua n LYS 81 Cb 0.49 -1.51 -0.11 0.00 -0.65 0.00 0.00 35.03 33.26 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 -2.92 0.85 -4.70 -5.58 9.92 -1.26 -4.85 116.55 108.02 2kua n ASP 82 Ca -0.37 -0.87 -0.39 0.00 -0.53 0.00 0.00 54.79 52.64 2kua n ASP 82 Cb 1.08 1.05 -0.06 0.00 -0.64 0.00 0.00 41.12 42.56 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 -2.75 4.30 -0.74 -1.24 1.11 -1.26 -4.96 119.66 114.11 2kua s GLN 83 Ca 0.06 0.52 -0.25 0.00 0.01 0.00 0.00 55.36 55.69 2kua s GLN 83 Cb 0.14 -3.49 -0.21 0.00 -1.01 0.00 0.00 33.01 28.43 2kua s GLN 83 CO 0.75 0.01 1.88 -0.40 0.01 0.00 0.00 175.29 177.54 2kua n ASP 84 N 4.16 2.04 -4.03 5.90 5.68 -1.26 -4.50 116.55 124.54 2kua n ASP 84 Ca -0.05 -2.60 -0.28 0.00 -0.50 0.00 0.00 54.79 51.35 2kua n ASP 84 Cb 0.51 -1.23 0.17 0.00 -1.14 0.00 0.00 41.12 39.43 2kua n ASP 84 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 2kua n PHE 85 N 12.07 -1.79 -4.30 2.11 -1.74 -1.26 -5.05 117.46 117.52 2kua n PHE 85 Ca 0.46 0.06 -0.18 0.00 -0.56 0.00 0.00 57.45 57.23 2kua n PHE 85 Cb 0.44 -1.49 -0.09 0.00 1.52 0.00 0.00 39.48 39.85 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 -1.92 1.30 0.21 5.98 0.15 -1.26 -5.05 113.70 113.11 2kua s SER 86 Ca 0.51 -1.58 -0.06 0.00 0.70 0.00 0.00 55.95 55.52 2kua s SER 86 Cb -0.10 0.43 0.17 0.00 -1.71 0.00 0.00 66.02 64.82 2kua s SER 86 CO 0.57 -0.93 1.67 -0.50 1.20 0.00 0.00 173.24 175.25 2kua h TRP 87 N 2.27 1.00 -0.42 3.44 -0.00 -2.00 -2.60 115.95 117.64 2kua h TRP 87 Ca -0.32 -0.18 0.01 0.00 -0.00 0.00 0.00 58.89 58.40 2kua h TRP 87 Cb 1.25 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 30.13 2kua h TRP 87 CO 1.08 0.94 0.28 1.03 -0.00 0.00 0.00 178.44 181.76 2kua h SER 88 N 0.83 0.45 0.21 -3.49 0.87 -2.00 -1.88 113.55 108.54 2kua h SER 88 Ca 0.14 -0.01 -0.21 0.00 -1.23 0.00 0.00 61.79 60.48 2kua h SER 88 Cb 0.59 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2kua h SER 88 CO 0.04 0.32 -0.83 1.56 -0.53 0.00 0.00 176.83 177.39 2kua h GLN 89 N 0.53 0.49 0.42 2.24 1.08 -1.88 -2.65 115.11 115.33 2kua h GLN 89 Ca 0.16 -0.45 -0.01 0.00 -1.45 0.00 0.00 58.65 56.90 2kua h GLN 89 Cb -0.00 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 2kua h GLN 89 CO -0.04 1.09 -0.37 -0.07 -0.95 0.00 0.00 178.83 178.49 2kua h LEU 90 N 0.31 -0.99 -1.51 1.46 4.07 -0.98 -0.57 115.31 117.10 2kua h LEU 90 Ca -0.06 0.08 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 2kua h LEU 90 Cb 1.44 0.32 -0.01 0.00 1.08 0.00 0.00 40.66 43.50 2kua h LEU 90 CO 0.15 -0.53 -0.08 -0.37 -1.08 0.00 0.00 178.44 176.53 2kua h VAL 91 N -0.79 1.15 -0.61 1.22 -1.51 -1.59 -2.57 116.25 111.55 2kua h VAL 91 Ca -0.04 -0.62 -0.04 0.00 -1.23 0.00 0.00 66.70 64.77 2kua h VAL 91 Cb 0.70 1.14 -0.03 0.00 -2.13 0.00 0.00 31.29 30.97 2kua h VAL 91 CO -0.03 0.20 0.23 -0.03 -1.23 0.00 0.00 177.57 176.70 2kua h MET 92 N 0.20 0.91 -0.47 5.19 -1.53 -1.04 -1.67 114.93 116.53 2kua h MET 92 Ca 0.05 -0.17 -0.04 0.00 -3.44 0.00 0.00 59.70 56.09 2kua h MET 92 Cb 0.29 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.17 2kua h MET 92 CO 0.01 0.79 0.13 1.37 0.14 0.00 0.00 176.91 179.35 2kua h LEU 93 N 0.85 0.64 -0.14 3.39 8.10 -0.71 -2.26 115.31 125.18 2kua h LEU 93 Ca 0.20 -0.10 -0.05 0.00 0.11 0.00 0.00 57.88 58.05 2kua h LEU 93 Cb 0.22 -0.16 -0.00 0.00 -0.44 0.00 0.00 40.66 40.27 2kua h LEU 93 CO -0.01 0.62 -0.09 -0.07 -4.11 0.00 0.00 178.44 174.78 2kua h LEU 94 N 0.68 0.32 0.44 0.17 3.38 -1.31 -2.60 115.31 116.38 2kua h LEU 94 Ca 0.16 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 2kua h LEU 94 Cb 0.23 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2kua h LEU 94 CO -0.01 0.69 -0.42 0.00 0.09 0.00 0.00 178.44 178.79 2kua h ALA 95 N 0.64 -0.94 0.01 1.53 0.00 -1.10 -2.57 119.26 116.83 2kua h ALA 95 Ca 0.03 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2kua h ALA 95 Cb 0.58 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2kua h ALA 95 CO 0.02 -1.07 -0.53 0.35 0.00 0.00 0.00 179.25 178.02 2kua h PHE 96 N -0.87 -1.56 -0.96 0.00 3.57 -1.49 -1.34 116.94 114.28 2kua h PHE 96 Ca -0.04 0.05 0.21 0.00 3.53 0.00 0.00 57.97 61.71 2kua h PHE 96 Cb 0.77 0.68 -0.18 0.00 2.79 0.00 0.00 35.95 40.01 2kua h PHE 96 CO -0.22 -0.58 -0.19 0.00 -2.23 0.00 0.00 178.31 175.09 2kua n ALA 97 N -2.96 0.29 0.21 2.41 0.00 -0.98 0.22 120.51 119.70 2kua n ALA 97 Ca -0.07 1.05 0.07 0.00 0.00 0.00 0.00 53.44 54.49 2kua n ALA 97 Cb 0.40 -0.66 0.49 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.90 -2.42 103.07 101.75 2kua h GLY 98 Ca 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.74 2kua h GLY 98 CO -0.97 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 175.18 2kua h THR 99 N 0.00 0.82 0.00 4.70 1.03 0.38 -3.12 112.91 116.72 2kua h THR 99 Ca -0.00 -1.66 -0.24 0.00 -0.01 0.00 0.00 66.41 64.50 2kua h THR 99 Cb 0.56 2.05 -0.04 0.00 -1.07 0.00 0.00 68.15 69.65 2kua h THR 99 CO 0.04 0.38 -1.22 -0.07 -0.01 0.00 0.00 175.52 174.63 2kua h LEU 100 N 0.00 0.01 -2.84 0.00 3.38 -0.67 -3.44 115.31 111.75 2kua h LEU 100 Ca -0.00 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2kua h LEU 100 Cb 1.02 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 2kua h LEU 100 CO 0.05 1.01 0.63 0.80 0.09 0.00 0.00 178.44 181.02 2kua n MET 101 N -3.26 0.00 -2.27 1.13 1.56 -0.98 -4.78 117.12 108.51 2kua n MET 101 Ca -0.05 0.00 -0.37 0.00 -0.27 0.00 0.00 57.70 57.00 2kua n MET 101 Cb 0.98 -0.52 -0.01 0.00 2.15 0.00 0.00 33.22 35.82 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 2.89 6.28 -0.16 6.12 4.22 -1.26 -4.92 114.94 128.11 2kua s ASN 102 Ca 0.48 2.31 -0.04 0.00 -2.14 0.00 0.00 52.86 53.47 2kua s ASN 102 Cb -0.43 -2.61 0.06 0.00 1.28 0.00 0.00 41.25 39.55 2kua s ASN 102 CO 0.18 -0.84 0.07 -1.10 -2.04 0.00 0.00 177.10 173.37 2kua s GLN 103 N -2.59 0.21 -0.34 3.55 -1.52 -1.26 -4.27 119.66 113.45 2kua s GLN 103 Ca 0.62 -0.10 0.04 0.00 -1.95 0.00 0.00 55.36 53.96 2kua s GLN 103 Cb -0.29 -1.71 0.20 0.00 -0.22 0.00 0.00 33.01 30.99 2kua s GLN 103 CO 0.36 -0.61 1.21 0.41 -0.25 0.00 0.00 175.29 176.40 2kua n GLY 104 N 5.22 -0.64 0.00 3.09 0.00 -1.26 -5.14 105.19 106.47 2kua n GLY 104 Ca -0.07 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.14 0.39 0.00 1.61 -0.04 -1.26 -5.01 135.00 130.55 2kua n PRO 105 Ca -0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2kua n PRO 105 Cb 0.71 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.17 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 -1.12 0.00 -3.46 0.54 4.11 -1.26 -5.11 117.16 110.87 2kua n TYR 106 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.78 2kua n TYR 106 Cb 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 39.34 39.35 2kua n TYR 106 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.86 178.27 2kua s MET 107 N -0.29 1.10 0.21 -3.48 -2.45 -1.26 -5.19 119.30 107.94 2kua s MET 107 Ca 0.00 -0.32 0.01 0.00 -1.25 0.00 0.00 55.69 54.13 2kua s MET 107 Cb 0.00 0.51 -0.00 0.00 1.25 0.00 0.00 34.83 36.59 2kua s MET 107 CO 0.00 -0.47 0.03 0.00 1.05 0.00 0.00 175.02 175.63 2kua n ALA 108 N -0.16 0.22 0.07 4.11 0.00 -1.26 -5.08 120.51 118.40 2kua n ALA 108 Ca -0.15 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.32 2kua n ALA 108 Cb 0.63 0.58 0.00 0.00 0.00 0.00 0.00 19.45 20.66 2kua n ALA 108 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2kua n VAL 109 N -0.50 0.00 -3.01 0.00 3.14 -1.26 -5.01 118.33 111.69 2kua n VAL 109 Ca -0.07 0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 60.87 2kua n VAL 109 Cb 0.28 -0.11 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 -2.79 3.47 -3.99 1.45 5.02 -1.26 -4.96 118.16 115.10 2kua n LYS 110 Ca 0.00 -4.01 -0.09 0.00 -2.02 0.00 0.00 58.31 52.19 2kua n LYS 110 Cb 0.00 -2.88 -0.10 0.00 -0.02 0.00 0.00 35.03 32.03 2kua n LYS 110 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2kua s GLN 111 N 0.57 0.53 0.00 1.97 -1.52 -1.26 -5.04 119.66 114.91 2kua s GLN 111 Ca 0.39 -0.86 -0.02 0.00 -1.95 0.00 0.00 55.36 52.93 2kua s GLN 111 Cb -0.04 0.20 -0.01 0.00 -0.22 0.00 0.00 33.01 32.94 2kua s GLN 111 CO -0.02 -0.11 0.75 -0.22 -0.25 0.00 0.00 175.29 175.44 2kua h LYS 112 N 3.75 -0.06 0.00 2.91 3.64 -1.96 -3.48 116.57 121.36 2kua h LYS 112 Ca -0.33 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2kua h LYS 112 Cb 1.18 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2kua h LYS 112 CO 0.53 -0.04 0.00 -2.13 -2.27 0.00 0.00 179.45 175.54 2kua n ARG 113 N -2.21 0.00 -0.00 1.90 3.00 -1.26 -5.01 116.66 113.08 2kua n ARG 113 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2kua n ARG 113 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.48 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 -0.10 2.17 0.06 6.15 -0.08 -1.26 -4.61 116.55 118.89 2kua n ASP 114 Ca 0.00 -0.29 0.04 0.00 -1.51 0.00 0.00 54.79 53.03 2kua n ASP 114 Cb 0.00 1.02 0.20 0.00 2.34 0.00 0.00 41.12 44.68 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 -1.25 0.19 -3.47 -2.67 -0.00 -1.26 -3.77 117.00 104.77 2kua n LEU 115 Ca 0.00 0.55 -0.39 0.00 -0.00 0.00 0.00 56.01 56.18 2kua n LEU 115 Cb 0.02 -0.57 -0.02 0.00 -0.00 0.00 0.00 43.42 42.85 2kua n LEU 115 CO 0.02 -0.61 2.93 0.61 -0.00 0.00 0.00 177.39 180.33 2kua n GLY 116 N -1.39 4.04 0.00 1.47 0.00 -1.26 -3.99 105.19 104.06 2kua n GLY 116 Ca -0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2kua n GLY 116 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kua n ASN 117 N 4.89 0.66 -1.27 1.61 5.15 -1.25 -4.81 115.26 120.25 2kua n ASN 117 Ca 0.63 -1.20 0.00 0.00 -0.60 0.00 0.00 54.58 53.41 2kua n ASN 117 Cb 0.29 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 2kua n ASN 117 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 2kua n ARG 118 N -0.10 0.83 -0.00 1.20 -4.01 -1.26 -4.19 116.66 109.13 2kua n ARG 118 Ca 0.00 0.00 -0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2kua n ARG 118 Cb 0.24 -1.08 -0.00 0.00 -3.04 0.00 0.00 32.46 28.58 2kua n ARG 118 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2kua h VAL 119 N 0.63 0.00 0.05 8.89 2.07 -1.94 -3.28 116.25 122.67 2kua h VAL 119 Ca 0.00 -0.07 -0.30 0.00 0.82 0.00 0.00 66.70 67.16 2kua h VAL 119 Cb 0.83 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2kua h VAL 119 CO 0.00 0.00 -1.61 0.16 0.02 0.00 0.00 177.57 176.14 2kua h ILE 120 N -0.07 1.01 -0.72 4.57 -2.65 -1.92 -3.31 117.51 114.43 2kua h ILE 120 Ca -0.00 -2.77 -0.03 0.00 1.03 0.00 0.00 64.86 63.09 2kua h ILE 120 Cb 0.00 2.58 -0.03 0.00 -2.05 0.00 0.00 36.82 37.32 2kua h ILE 120 CO 0.00 0.70 0.33 1.62 0.03 0.00 0.00 178.15 180.84 2kua h VAL 121 N 0.03 1.24 0.05 0.16 3.04 -1.74 -1.91 116.25 117.11 2kua h VAL 121 Ca -0.26 -0.68 -0.00 0.00 -1.01 0.00 0.00 66.70 64.75 2kua h VAL 121 Cb 1.99 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 2kua h VAL 121 CO 0.11 0.28 -0.02 0.00 -1.01 0.00 0.00 177.57 176.93 2kua h THR 122 N 1.01 1.02 -0.97 3.17 1.03 -1.70 0.50 112.91 116.97 2kua h THR 122 Ca 0.24 -0.23 0.06 0.00 -0.01 0.00 0.00 66.41 66.47 2kua h THR 122 Cb 0.14 1.18 -0.06 0.00 -1.07 0.00 0.00 68.15 68.33 2kua h THR 122 CO -0.03 0.06 0.62 0.08 -0.01 0.00 0.00 175.52 176.24 2kua h ARG 123 N -0.17 1.11 -0.05 0.00 0.11 -1.62 -0.73 114.38 113.04 2kua h ARG 123 Ca -0.01 -0.07 -0.21 0.00 0.10 0.00 0.00 59.98 59.79 2kua h ARG 123 Cb 0.15 -0.25 0.00 0.00 1.11 0.00 0.00 29.97 30.98 2kua h ARG 123 CO 0.01 0.73 -0.85 0.22 0.10 0.00 0.00 179.97 180.19 2kua h ASP 124 N 1.14 0.59 -0.61 0.08 3.58 -1.11 -3.02 116.42 117.07 2kua h ASP 124 Ca 0.41 -0.43 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 2kua h ASP 124 Cb 0.14 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 2kua h ASP 124 CO -0.17 1.21 0.31 0.00 -2.88 0.00 0.00 179.24 177.72 2kua h LEU 127 N -0.61 -0.39 -0.48 0.00 3.38 -1.45 0.86 115.31 116.61 2kua h LEU 127 Ca -0.05 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.87 2kua h LEU 127 Cb 0.45 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 2kua h LEU 127 CO 0.09 -0.09 0.15 -0.29 0.09 0.00 0.00 178.44 178.38 2kua h ILE 128 N -0.71 0.81 -0.05 1.22 2.10 -0.13 -1.12 117.51 119.62 2kua h ILE 128 Ca -0.05 -0.11 -0.16 0.00 1.08 0.00 0.00 64.86 65.63 2kua h ILE 128 Cb 0.49 0.47 -0.01 0.00 -1.09 0.00 0.00 36.82 36.68 2kua h ILE 128 CO 0.08 0.06 -0.67 0.58 -1.08 0.00 0.00 178.15 177.11 2kua h VAL 129 N 0.31 1.41 -0.70 2.19 2.07 -0.30 -3.02 116.25 118.21 2kua h VAL 129 Ca 0.23 -2.14 0.01 0.00 0.82 0.00 0.00 66.70 65.61 2kua h VAL 129 Cb 0.26 2.12 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 2kua h VAL 129 CO -0.26 0.63 0.46 -1.13 0.02 0.00 0.00 177.57 177.30 2kua h ASN 130 N 0.16 0.81 0.32 0.57 -1.24 0.16 0.87 115.58 117.23 2kua h ASN 130 Ca -0.02 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 56.95 2kua h ASN 130 Cb 1.21 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 40.06 2kua h ASN 130 CO 0.10 0.59 -0.15 0.15 -1.29 0.00 0.00 177.43 176.83 2kua h PHE 131 N 0.95 -0.39 0.46 0.67 3.04 -1.22 -2.11 116.94 118.34 2kua h PHE 131 Ca 0.26 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.18 2kua h PHE 131 Cb -0.11 0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.54 2kua h PHE 131 CO -0.02 -0.09 -0.22 -0.07 -2.02 0.00 0.00 178.31 175.89 2kua h LEU 132 N -0.70 -0.53 -0.64 0.59 4.07 -1.42 -1.87 115.31 114.81 2kua h LEU 132 Ca -0.04 -0.08 0.09 0.00 0.08 0.00 0.00 57.88 57.93 2kua h LEU 132 Cb 0.48 0.14 -0.11 0.00 1.08 0.00 0.00 40.66 42.25 2kua h LEU 132 CO 0.07 -0.20 -0.46 0.22 -1.08 0.00 0.00 178.44 176.98 2kua h TYR 133 N -0.87 -1.38 0.00 1.13 5.03 0.68 0.68 116.97 122.24 2kua h TYR 133 Ca -0.06 0.09 -0.00 0.00 2.58 0.00 0.00 58.73 61.33 2kua h TYR 133 Cb 0.58 0.69 -0.00 0.00 1.55 0.00 0.00 36.73 39.55 2kua h TYR 133 CO 0.00 -0.42 -0.01 -0.91 -1.32 0.00 0.00 178.16 175.50 2kua h ASN 134 N -0.20 0.00 0.27 -2.11 2.35 -1.41 0.65 115.58 115.13 2kua h ASN 134 Ca 0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 2kua h ASN 134 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 2kua h ASN 134 CO -0.73 0.01 -0.13 0.25 -1.65 0.00 0.00 177.43 175.18 2kua h LEU 135 N 0.00 -0.31 -0.16 1.61 5.85 0.12 -2.53 115.31 119.89 2kua h LEU 135 Ca -0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2kua h LEU 135 Cb 0.01 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.12 2kua h LEU 135 CO 0.00 -0.08 -0.28 0.00 -0.34 0.00 0.00 178.44 177.74 2kua n LEU 136 N -5.18 0.53 -1.77 2.25 -0.00 -0.53 -3.63 117.00 108.68 2kua n LEU 136 Ca -0.10 0.02 -0.05 0.00 -0.00 0.00 0.00 56.01 55.89 2kua n LEU 136 Cb 0.21 -0.24 0.28 0.00 -0.00 0.00 0.00 43.42 43.67 2kua n LEU 136 CO 0.34 0.11 0.97 0.80 -0.00 0.00 0.00 177.39 179.61 2kua n MET 137 N -1.19 3.32 -2.26 1.47 1.56 0.23 -2.44 117.12 117.80 2kua n MET 137 Ca 0.09 -3.07 -0.25 0.00 -0.27 0.00 0.00 57.70 54.20 2kua n MET 137 Cb 0.33 -2.12 0.07 0.00 2.15 0.00 0.00 33.22 33.64 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 -1.36 1.71 0.11 -5.12 0.00 -0.97 -4.71 107.32 96.99 2kua s GLY 138 Ca 0.52 -1.01 -0.26 0.00 0.00 0.00 0.00 44.72 43.97 2kua s GLY 138 CO 0.11 -0.60 1.65 3.21 0.00 0.00 0.00 173.10 177.47 2kua h ARG 139 N -0.54 -0.41 0.09 2.90 -0.00 -1.93 0.43 114.38 114.93 2kua h ARG 139 Ca -0.44 0.03 -0.18 0.00 -0.50 0.00 0.00 59.98 58.89 2kua h ARG 139 Cb 1.31 0.09 0.02 0.00 0.00 0.00 0.00 29.97 31.39 2kua h ARG 139 CO 0.58 -0.27 -0.76 0.07 0.00 0.00 0.00 179.97 179.59 2kua h ARG 140 N -0.43 0.35 0.61 0.04 0.11 -1.94 -2.79 114.38 110.33 2kua h ARG 140 Ca 0.03 -0.50 -0.02 0.00 0.10 0.00 0.00 59.98 59.59 2kua h ARG 140 Cb 0.46 0.17 -0.01 0.00 1.11 0.00 0.00 29.97 31.70 2kua h ARG 140 CO -0.14 1.20 -0.46 0.45 0.10 0.00 0.00 179.97 181.12 2kua h HIS 141 N -0.26 -1.24 -0.56 4.08 3.86 -1.81 -1.32 115.15 117.90 2kua h HIS 141 Ca -0.12 -0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.16 2kua h HIS 141 Cb 1.54 0.46 -0.06 0.00 1.06 0.00 0.00 27.41 30.41 2kua h HIS 141 CO 0.18 -0.65 0.21 -0.09 0.86 0.00 0.00 177.93 178.44 2kua h ARG 142 N -1.03 0.39 -0.91 2.45 1.12 0.21 0.20 114.38 116.80 2kua h ARG 142 Ca -0.08 -0.02 0.15 0.00 -1.11 0.00 0.00 59.98 58.92 2kua h ARG 142 Cb 0.85 -0.09 -0.09 0.00 -0.01 0.00 0.00 29.97 30.63 2kua h ARG 142 CO 0.03 0.26 0.51 0.00 -3.11 0.00 0.00 179.97 177.66 2kua h ALA 143 N 1.37 1.41 0.00 2.80 0.00 -1.30 -1.83 119.26 121.72 2kua h ALA 143 Ca 0.27 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2kua h ALA 143 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kua h ALA 143 CO -0.26 -0.02 -0.09 -0.09 0.00 0.00 0.00 179.25 178.78 2kua h ARG 144 N 0.73 0.06 -0.88 0.00 9.65 -0.12 -0.87 114.38 122.96 2kua h ARG 144 Ca 0.50 -0.07 0.23 0.00 -1.10 0.00 0.00 59.98 59.54 2kua h ARG 144 Cb 0.68 0.02 -0.15 0.00 -1.39 0.00 0.00 29.97 29.12 2kua h ARG 144 CO -0.35 0.86 0.08 1.25 2.80 0.00 0.00 179.97 184.61 2kua h LEU 145 N -0.71 -0.30 0.19 3.80 7.12 -0.17 0.75 115.31 126.00 2kua h LEU 145 Ca -0.01 0.23 -0.32 0.00 0.13 0.00 0.00 57.88 57.91 2kua h LEU 145 Cb 0.89 0.38 0.02 0.00 -0.53 0.00 0.00 40.66 41.42 2kua h LEU 145 CO 0.02 -0.24 -1.49 1.05 -0.13 0.00 0.00 178.44 177.65 2kua h GLU 146 N 0.10 0.40 0.00 1.25 4.11 -1.44 -1.07 114.58 117.94 2kua h GLU 146 Ca 0.52 -0.69 0.00 0.00 0.07 0.00 0.00 59.36 59.27 2kua h GLU 146 Cb 1.03 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2kua h GLU 146 CO -0.76 1.31 0.30 0.00 0.07 0.00 0.00 179.01 179.93 2kua h ALA 147 N 0.31 1.24 -0.42 1.06 0.00 0.61 0.69 119.26 122.75 2kua h ALA 147 Ca -0.24 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 2kua h ALA 147 Cb 2.09 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.78 2kua h ALA 147 CO 0.22 -0.24 0.05 1.47 0.00 0.00 0.00 179.25 180.75 2kua n LEU 148 N -2.31 4.48 0.00 0.00 -0.00 -0.64 -4.89 117.00 113.64 2kua n LEU 148 Ca -0.01 -3.51 0.00 0.00 -0.00 0.00 0.00 56.01 52.49 2kua n LEU 148 Cb 0.33 -0.64 0.00 0.00 -0.00 0.00 0.00 43.42 43.11 2kua n LEU 148 CO 0.08 1.04 0.00 0.61 -0.00 0.00 0.00 177.39 179.12 2kua n GLY 149 N -0.89 2.41 5.65 1.47 0.00 0.24 -4.63 105.19 109.43 2kua n GLY 149 Ca 0.33 0.00 0.04 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 -1.89 -1.38 0.34 -0.02 0.00 -0.41 -2.85 105.19 99.00 2kua n GLY 150 Ca 0.00 -1.13 0.32 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.00 0.85 -0.07 1.61 5.03 -1.26 0.12 117.44 121.72 2kua n TRP 151 Ca 0.00 0.86 -0.07 0.00 3.03 0.00 0.00 57.50 61.32 2kua n TRP 151 Cb 0.12 -1.28 -0.01 0.00 -1.03 0.00 0.00 31.31 29.11 2kua n TRP 151 CO 0.00 0.00 0.00 -0.44 -0.03 0.00 0.00 177.69 177.22 2kua h ASP 152 N 0.00 -0.24 0.08 -0.99 5.19 -1.95 -1.07 116.42 117.43 2kua h ASP 152 Ca 0.77 0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 57.24 2kua h ASP 152 Cb 2.23 0.17 -0.00 0.00 0.18 0.00 0.00 39.33 41.90 2kua h ASP 152 CO -0.56 -0.09 -0.08 1.23 -3.12 0.00 0.00 179.24 176.62 2kua h GLY 153 N 0.01 0.00 1.69 2.75 0.00 0.11 -1.89 103.07 105.74 2kua h GLY 153 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 2kua h GLY 153 CO -0.28 0.00 -0.10 -2.75 0.00 0.00 0.00 176.54 173.41 2kua h PHE 154 N 0.00 0.41 -0.11 5.60 3.57 -0.98 0.84 116.94 126.27 2kua h PHE 154 Ca -0.00 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 2kua h PHE 154 Cb 0.14 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 2kua h PHE 154 CO 0.00 0.49 -0.10 0.00 -2.23 0.00 0.00 178.31 176.47 2kua h ARG 156 N -0.15 0.00 -0.73 0.00 -0.00 -1.40 0.19 114.38 112.29 2kua h ARG 156 Ca 0.02 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.46 2kua h ARG 156 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.55 2kua h ARG 156 CO 0.02 0.64 0.31 0.35 0.00 0.00 0.00 179.97 181.29 2kua h PHE 157 N 0.00 1.10 -0.01 3.04 3.04 0.71 -2.99 116.94 121.83 2kua h PHE 157 Ca -0.01 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 61.87 2kua h PHE 157 Cb 1.42 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 39.60 2kua h PHE 157 CO 0.00 0.83 -0.54 1.19 -2.02 0.00 0.00 178.31 177.77 2kua n PHE 158 N -4.36 0.00 -2.47 0.41 3.01 -1.06 -5.04 117.46 107.94 2kua n PHE 158 Ca 0.06 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.49 2kua n PHE 158 Cb 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 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 -0.59 -2.17 -1.50 -1.08 4.01 0.45 -4.91 118.16 112.37 2kua n LYS 159 Ca 0.06 1.95 -0.40 0.00 -0.51 0.00 0.00 58.31 59.41 2kua n LYS 159 Cb 0.33 -4.50 0.02 0.00 -0.51 0.00 0.00 35.03 30.38 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 0.04 -0.46 -0.05 4.39 2.85 0.04 -4.90 115.26 117.16 2kua n ASN 160 Ca 0.05 0.86 -0.10 0.00 -0.11 0.00 0.00 54.58 55.28 2kua n ASN 160 Cb 0.19 -1.19 0.05 0.00 1.24 0.00 0.00 39.78 40.06 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 0.70 0.72 -7.18 1.20 0.13 -1.91 -3.45 132.00 122.22 2kua h PRO 161 Ca -0.44 -0.38 -0.53 0.00 -0.87 0.00 0.00 66.00 63.78 2kua h PRO 161 Cb 1.39 0.01 0.14 0.00 0.13 0.00 0.00 31.00 32.67 2kua h PRO 161 CO 0.51 1.00 0.39 -0.51 -0.23 0.00 0.00 178.00 179.16 2kua s LEU 162 N -8.65 3.35 0.25 1.56 1.43 -1.26 -4.94 118.68 110.41 2kua s LEU 162 Ca -0.09 2.28 0.02 0.00 -1.03 0.00 0.00 54.13 55.32 2kua s LEU 162 Cb 0.12 -4.58 0.30 0.00 0.03 0.00 0.00 46.19 42.05 2kua s LEU 162 CO 0.85 -2.10 1.62 1.55 0.23 0.00 0.00 176.35 178.50 2kua h PRO 163 N -0.17 0.40 -7.23 1.29 0.13 -2.03 -3.45 132.00 120.94 2kua h PRO 163 Ca -0.48 -0.21 -0.46 0.00 -0.87 0.00 0.00 66.00 63.99 2kua h PRO 163 Cb 1.29 0.01 0.19 0.00 0.13 0.00 0.00 31.00 32.61 2kua h PRO 163 CO 0.51 0.77 0.10 -0.51 -0.23 0.00 0.00 178.00 178.64 2kua s LEU 164 N -8.32 1.41 0.00 1.56 1.02 -1.26 -5.15 118.68 107.93 2kua s LEU 164 Ca -0.06 1.53 0.00 0.00 0.02 0.00 0.00 54.13 55.62 2kua s LEU 164 Cb 0.13 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.72 2kua s LEU 164 CO 0.80 -3.67 0.00 0.61 0.02 0.00 0.00 176.35 174.12