#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kua n PRO -4 N 0.00 0.00 -3.71 1.61 -0.04 -1.26 -4.91 135.00 126.69 2kua n PRO -4 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 2kua n PRO -4 Cb 0.00 -0.24 0.05 0.00 -0.04 0.00 0.00 33.50 33.28 2kua n PRO -4 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2kua n LEU -3 N 0.00 -2.92 0.00 1.53 7.94 -1.26 -4.70 117.00 117.59 2kua n LEU -3 Ca 0.00 -0.63 0.00 0.00 -1.11 0.00 0.00 56.01 54.27 2kua n LEU -3 Cb 0.00 -2.79 0.00 0.00 0.53 0.00 0.00 43.42 41.16 2kua n LEU -3 CO 0.00 0.54 0.00 0.61 -1.11 0.00 0.00 177.39 177.43 2kua n GLY -2 N -1.82 -0.32 3.92 -3.96 0.00 -1.26 -4.81 105.19 96.94 2kua n GLY -2 Ca 0.02 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.90 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 -4.00 5.51 -0.19 1.61 0.01 -1.26 -5.05 113.70 110.34 2kua s SER 0 Ca 0.00 0.62 -0.16 0.00 1.31 0.00 0.00 55.95 57.72 2kua s SER 0 Cb 0.00 -1.59 -0.12 0.00 0.21 0.00 0.00 66.02 64.52 2kua s SER 0 CO 0.00 -1.10 0.01 1.15 0.41 0.00 0.00 173.24 173.71 2kua n MET 1 N -2.57 0.52 -2.99 12.44 0.00 -1.26 -5.00 117.12 118.26 2kua n MET 1 Ca 0.05 0.52 -0.20 0.00 0.00 0.00 0.00 57.70 58.07 2kua n MET 1 Cb 0.58 -1.70 0.06 0.00 0.00 0.00 0.00 33.22 32.16 2kua n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2kua s ALA 2 N -2.53 4.62 0.00 3.17 0.00 -1.26 -5.10 121.76 120.66 2kua s ALA 2 Ca -0.24 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 49.63 2kua s ALA 2 Cb 0.05 -1.52 0.00 0.00 0.00 0.00 0.00 23.12 21.65 2kua s ALA 2 CO 0.44 -0.88 0.00 -3.47 0.00 0.00 0.00 175.76 171.85 2kua n ASP 3 N -2.27 0.00 0.28 0.00 -0.08 -1.26 -4.79 116.55 108.43 2kua n ASP 3 Ca 0.15 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.57 2kua n ASP 3 Cb 0.61 0.00 0.80 0.00 2.34 0.00 0.00 41.12 44.87 2kua n ASP 3 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2kua h SER 4 N 0.00 0.00 -2.06 1.67 0.02 -2.06 -2.95 113.55 108.17 2kua h SER 4 Ca 0.00 0.00 -0.77 0.00 -0.84 0.00 0.00 61.79 60.18 2kua h SER 4 Cb 0.00 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 62.26 2kua h SER 4 CO 0.00 0.08 1.00 0.00 -1.14 0.00 0.00 176.83 176.77 2kua n GLN 5 N -3.58 3.56 -1.49 3.45 1.13 -1.26 -5.00 117.38 114.20 2kua n GLN 5 Ca -0.02 -3.89 -0.46 0.00 -1.94 0.00 0.00 57.00 50.68 2kua n GLN 5 Cb 0.21 -2.33 -0.07 0.00 0.11 0.00 0.00 30.24 28.16 2kua n GLN 5 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2kua n ASP 6 N -0.40 2.17 0.00 1.08 8.00 -1.12 -4.77 116.55 121.51 2kua n ASP 6 Ca 0.51 0.22 0.04 0.00 0.71 0.00 0.00 54.79 56.27 2kua n ASP 6 Cb 0.25 -1.33 0.24 0.00 -0.02 0.00 0.00 41.12 40.27 2kua n ASP 6 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2kua n PRO 7 N 8.44 0.49 0.25 -0.24 -0.04 -1.26 -3.18 135.00 139.46 2kua n PRO 7 Ca 0.41 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.98 2kua n PRO 7 Cb 0.29 -1.26 0.67 0.00 -0.04 0.00 0.00 33.50 33.16 2kua n PRO 7 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2kua h LEU 8 N 0.00 0.00 0.00 1.53 4.07 -1.98 -2.97 115.31 115.96 2kua h LEU 8 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2kua h LEU 8 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2kua h LEU 8 CO 0.00 0.14 0.00 1.41 -1.08 0.00 0.00 178.44 178.91 2kua n HIS 9 N -3.80 0.00 0.11 1.13 8.25 -1.19 -0.87 115.22 118.85 2kua n HIS 9 Ca -0.02 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.51 2kua n HIS 9 Cb 0.24 0.00 0.38 0.00 1.12 0.00 0.00 29.99 31.74 2kua n HIS 9 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2kua n GLU 10 N -0.69 0.09 -0.10 -0.41 4.07 -1.25 -1.52 120.64 120.83 2kua n GLU 10 Ca 0.00 0.59 -0.14 0.00 -0.06 0.00 0.00 57.16 57.55 2kua n GLU 10 Cb 0.00 -1.81 -0.04 0.00 -0.06 0.00 0.00 31.44 29.53 2kua n GLU 10 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2kua h ARG 11 N 0.00 0.80 -0.00 5.31 2.43 -1.10 -1.95 114.38 119.86 2kua h ARG 11 Ca 0.00 -0.44 -0.07 0.00 -0.81 0.00 0.00 59.98 58.66 2kua h ARG 11 Cb 0.02 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2kua h ARG 11 CO 0.00 1.07 -0.27 1.15 -1.51 0.00 0.00 179.97 180.41 2kua h THR 12 N 0.57 1.53 -0.10 0.20 2.02 0.08 -2.37 112.91 114.85 2kua h THR 12 Ca 0.04 -1.94 0.03 0.00 0.77 0.00 0.00 66.41 65.32 2kua h THR 12 Cb 0.95 2.74 -0.03 0.00 -1.74 0.00 0.00 68.15 70.06 2kua h THR 12 CO 0.09 0.53 -0.10 -0.09 0.37 0.00 0.00 175.52 176.32 2kua h ARG 13 N -0.47 -0.12 -0.34 6.66 9.65 -1.60 0.18 114.38 128.34 2kua h ARG 13 Ca -0.03 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 2kua h ARG 13 Cb 1.02 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.61 2kua h ARG 13 CO 0.05 -0.08 0.19 0.07 2.80 0.00 0.00 179.97 183.00 2kua h ARG 14 N -0.12 0.47 0.13 0.20 -0.00 -1.46 0.65 114.38 114.25 2kua h ARG 14 Ca 0.07 -0.05 0.00 0.00 -0.00 0.00 0.00 59.98 60.00 2kua h ARG 14 Cb 0.23 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 30.10 2kua h ARG 14 CO -0.18 0.39 -0.12 1.25 -0.00 0.00 0.00 179.97 181.32 2kua h LEU 15 N 0.43 -0.32 0.20 0.08 5.85 -1.07 0.63 115.31 121.11 2kua h LEU 15 Ca 0.12 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2kua h LEU 15 Cb 0.06 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.20 2kua h LEU 15 CO -0.02 -0.19 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.72 2kua h LEU 16 N -0.28 -0.23 -1.37 2.25 4.07 -0.54 -2.53 115.31 116.68 2kua h LEU 16 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 2kua h LEU 16 Cb 0.26 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 2kua h LEU 16 CO -0.03 -0.16 0.20 -1.28 -1.08 0.00 0.00 178.44 176.09 2kua h SER 17 N -0.28 0.56 -0.50 -0.43 0.87 -0.75 -1.92 113.55 111.11 2kua h SER 17 Ca -0.03 -0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.50 2kua h SER 17 Cb 0.21 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 2kua h SER 17 CO 0.05 0.50 0.33 0.44 -0.53 0.00 0.00 176.83 177.61 2kua h ASP 18 N 0.63 0.53 0.73 6.23 3.32 0.67 -1.38 116.42 127.14 2kua h ASP 18 Ca 0.16 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.04 2kua h ASP 18 Cb 0.09 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2kua h ASP 18 CO -0.02 0.37 -0.75 0.22 -1.72 0.00 0.00 179.24 177.34 2kua h TYR 19 N 0.62 0.02 -0.21 4.55 3.20 -0.95 -2.94 116.97 121.25 2kua h TYR 19 Ca 0.19 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2kua h TYR 19 Cb 0.02 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2kua h TYR 19 CO -0.00 0.76 0.11 0.82 -1.64 0.00 0.00 178.16 178.21 2kua h ILE 20 N 0.01 1.12 -0.07 1.81 1.08 -1.00 -1.61 117.51 118.85 2kua h ILE 20 Ca -0.01 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 2kua h ILE 20 Cb 1.33 0.97 -0.00 0.00 -3.07 0.00 0.00 36.82 36.05 2kua h ILE 20 CO 0.10 0.12 0.01 -0.26 -0.69 0.00 0.00 178.15 177.43 2kua h PHE 21 N 0.22 0.12 -0.35 1.37 -1.00 -1.54 -1.88 116.94 113.88 2kua h PHE 21 Ca 0.07 -0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.94 2kua h PHE 21 Cb 0.10 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 2kua h PHE 21 CO -0.03 0.33 0.27 0.35 -1.61 0.00 0.00 178.31 177.62 2kua h PHE 22 N -0.12 0.00 0.00 -0.55 3.04 -1.45 0.35 116.94 118.20 2kua h PHE 22 Ca 0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2kua h PHE 22 Cb 0.27 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.78 2kua h PHE 22 CO 0.01 0.00 -0.43 0.00 -2.02 0.00 0.00 178.31 175.87 2kua n ALA 24 N -1.78 2.62 -4.05 0.00 0.00 0.12 -4.69 120.51 112.73 2kua n ALA 24 Ca 0.04 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.93 2kua n ALA 24 Cb 0.43 -1.01 -0.15 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 -1.42 2.49 0.68 0.00 0.52 -1.24 -4.89 118.95 115.09 2kua s ARG 25 Ca 0.07 -1.18 -0.16 0.00 -0.52 0.00 0.00 55.73 53.93 2kua s ARG 25 Cb 0.05 -2.81 -0.14 0.00 0.52 0.00 0.00 34.95 32.56 2kua s ARG 25 CO 0.03 -0.46 -0.40 0.39 0.02 0.00 0.00 175.30 174.87 2kua n GLU 26 N 4.50 0.00 0.09 3.54 1.02 -1.26 -4.79 120.64 123.74 2kua n GLU 26 Ca -0.16 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.08 2kua n GLU 26 Cb 0.45 -0.94 0.43 0.00 -0.02 0.00 0.00 31.44 31.36 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 1.83 0.13 -0.08 3.49 -0.04 -1.26 -2.12 135.00 136.95 2kua n PRO 27 Ca 0.03 0.37 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 2kua n PRO 27 Cb 0.48 -1.75 0.34 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.99 1.22 -3.92 3.54 2.03 -1.26 -4.82 116.55 111.35 2kua n ASP 28 Ca 0.02 -1.72 -0.13 0.00 0.52 0.00 0.00 54.79 53.48 2kua n ASP 28 Cb 0.20 -0.10 -0.14 0.00 -0.72 0.00 0.00 41.12 40.37 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 -1.80 0.19 0.26 5.18 -1.32 -0.90 -5.14 115.64 112.10 2kua s THR 29 Ca 0.27 -0.20 -0.29 0.00 -1.21 0.00 0.00 61.69 60.26 2kua s THR 29 Cb 0.14 -0.18 -0.09 0.00 -1.51 0.00 0.00 72.50 70.85 2kua s THR 29 CO 0.21 -0.01 1.26 -2.16 -2.21 0.00 0.00 174.62 171.71 2kua s PRO 30 N -0.22 4.43 0.37 7.08 0.04 -1.26 -4.73 135.00 140.71 2kua s PRO 30 Ca -0.01 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.11 2kua s PRO 30 Cb -0.02 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 2kua s PRO 30 CO -0.00 -0.13 0.55 -1.83 0.04 0.00 0.00 177.00 175.63 2kua s GLU 31 N -0.98 3.24 0.96 4.56 4.04 -1.26 -5.08 118.70 124.18 2kua s GLU 31 Ca 0.51 -0.61 -0.12 0.00 0.04 0.00 0.00 54.97 54.79 2kua s GLU 31 Cb -0.37 -2.70 0.17 0.00 0.02 0.00 0.00 34.13 31.26 2kua s GLU 31 CO 0.44 0.02 1.09 -1.25 -1.84 0.00 0.00 175.26 173.72 2kua s PRO 32 N -4.32 0.73 1.02 -4.83 0.04 -1.26 -5.04 135.00 121.34 2kua s PRO 32 Ca 0.43 0.63 -0.13 0.00 0.04 0.00 0.00 61.00 61.98 2kua s PRO 32 Cb -0.10 -1.76 0.20 0.00 0.04 0.00 0.00 34.50 32.88 2kua s PRO 32 CO 0.35 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.68 2kua s PRO 33 N -4.95 0.27 0.91 0.56 0.04 -1.26 -5.01 135.00 125.57 2kua s PRO 33 Ca 0.65 0.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.03 2kua s PRO 33 Cb -0.18 -1.72 0.14 0.00 0.04 0.00 0.00 34.50 32.77 2kua s PRO 33 CO 0.57 -2.82 1.09 -1.25 0.04 0.00 0.00 177.00 174.63 2kua s PRO 34 N -4.99 1.13 -0.13 0.56 0.04 -1.26 -5.00 135.00 125.35 2kua s PRO 34 Ca 0.66 0.78 0.12 0.00 0.04 0.00 0.00 61.00 62.59 2kua s PRO 34 Cb -0.18 -1.80 -0.24 0.00 0.04 0.00 0.00 34.50 32.32 2kua s PRO 34 CO 0.58 -2.32 0.34 -2.37 0.04 0.00 0.00 177.00 173.27 2kua n THR 35 N -3.93 1.53 -3.56 1.26 5.66 -1.26 -5.00 114.28 108.99 2kua n THR 35 Ca 0.07 -0.79 -0.05 0.00 -3.05 0.00 0.00 64.05 60.22 2kua n THR 35 Cb 0.55 -0.91 0.02 0.00 -1.55 0.00 0.00 70.33 68.44 2kua n THR 35 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2kua n SER 36 N -2.99 -1.50 -0.13 1.09 7.64 -1.26 -4.99 113.62 111.49 2kua n SER 36 Ca -0.27 -2.01 -0.05 0.00 1.01 0.00 0.00 58.87 57.55 2kua n SER 36 Cb 1.09 2.49 0.04 0.00 -1.01 0.00 0.00 64.21 66.82 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 1.66 0.83 -0.19 0.44 2.07 -2.00 -0.67 116.25 118.39 2kua h VAL 37 Ca -0.22 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2kua h VAL 37 Cb 0.83 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2kua h VAL 37 CO 0.28 0.05 -0.01 1.05 0.02 0.00 0.00 177.57 178.96 2kua h GLU 38 N 0.27 0.28 -0.11 1.57 4.11 -1.96 -1.99 114.58 116.75 2kua h GLU 38 Ca 0.20 -0.04 -0.14 0.00 0.07 0.00 0.00 59.36 59.44 2kua h GLU 38 Cb 0.21 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2kua h GLU 38 CO -0.23 0.31 -0.56 0.00 0.07 0.00 0.00 179.01 178.61 2kua h ALA 39 N 1.72 0.85 -0.29 1.06 0.00 -1.57 -3.08 119.26 117.96 2kua h ALA 39 Ca 0.07 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.28 2kua h ALA 39 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kua h ALA 39 CO 0.00 0.69 -0.52 0.00 0.00 0.00 0.00 179.25 179.43 2kua h ALA 40 N 1.17 0.45 0.32 0.00 0.00 -0.48 -2.98 119.26 117.75 2kua h ALA 40 Ca 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kua h ALA 40 Cb 1.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2kua h ALA 40 CO 0.09 0.65 -0.32 1.25 0.00 0.00 0.00 179.25 180.92 2kua h LEU 41 N 0.65 -0.88 -0.53 0.00 7.12 -1.37 -2.54 115.31 117.76 2kua h LEU 41 Ca 0.02 0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.20 2kua h LEU 41 Cb 1.13 0.30 -0.08 0.00 -0.53 0.00 0.00 40.66 41.48 2kua h LEU 41 CO 0.12 -0.46 0.07 -0.07 -0.13 0.00 0.00 178.44 177.97 2kua h LEU 42 N -0.68 -0.09 -2.00 2.25 -0.00 -1.60 0.37 115.31 113.56 2kua h LEU 42 Ca -0.02 0.11 0.14 0.00 -0.00 0.00 0.00 57.88 58.11 2kua h LEU 42 Cb 0.62 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.43 2kua h LEU 42 CO -0.06 -0.02 0.44 -0.09 -0.00 0.00 0.00 178.44 178.71 2kua h ARG 43 N 0.19 0.00 0.06 1.13 1.12 -1.32 3.47 114.38 119.03 2kua h ARG 43 Ca 0.27 0.00 -0.32 0.00 -1.11 0.00 0.00 59.98 58.82 2kua h ARG 43 Cb 0.40 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.33 2kua h ARG 43 CO -0.39 0.00 -1.76 0.43 -3.11 0.00 0.00 179.97 175.14 2kua n SER 44 N -3.92 2.00 -0.09 -3.80 7.64 0.70 -3.92 113.62 112.23 2kua n SER 44 Ca 0.09 0.29 -0.14 0.00 1.01 0.00 0.00 58.87 60.11 2kua n SER 44 Cb 0.64 -0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 62.90 2kua n SER 44 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2kua n VAL 45 N -3.91 1.48 -0.31 0.44 0.24 0.96 -4.14 118.33 113.09 2kua n VAL 45 Ca -0.34 0.07 0.20 0.00 -2.04 0.00 0.00 64.34 62.23 2kua n VAL 45 Cb 0.88 -2.20 0.48 0.00 -1.47 0.00 0.00 33.84 31.53 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 0.59 -0.32 3.34 1.03 0.63 0.40 112.91 117.58 2kua h THR 46 Ca -0.20 -0.16 0.00 0.00 -0.01 0.00 0.00 66.41 66.05 2kua h THR 46 Cb 0.96 0.09 -0.02 0.00 -1.07 0.00 0.00 68.15 68.12 2kua h THR 46 CO -0.12 0.08 0.21 0.08 -0.01 0.00 0.00 175.52 175.76 2kua h ARG 47 N 0.46 0.41 0.05 0.00 -0.00 -1.41 -1.80 114.38 112.09 2kua h ARG 47 Ca 0.56 -0.02 -0.23 0.00 -0.00 0.00 0.00 59.98 60.29 2kua h ARG 47 Cb 1.33 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 31.20 2kua h ARG 47 CO -0.28 0.27 -1.04 -0.56 -0.00 0.00 0.00 179.97 178.36 2kua h GLN 48 N 0.42 0.20 -0.40 0.08 -0.00 -0.37 -2.53 115.11 112.51 2kua h GLN 48 Ca 0.12 -0.28 -0.03 0.00 -0.00 0.00 0.00 58.65 58.45 2kua h GLN 48 Cb -0.04 0.10 -0.02 0.00 -0.00 0.00 0.00 27.48 27.51 2kua h GLN 48 CO -0.03 1.07 0.12 0.82 -0.00 0.00 0.00 178.83 180.82 2kua h ILE 49 N 0.08 1.17 0.00 1.86 1.08 -0.74 -2.31 117.51 118.65 2kua h ILE 49 Ca -0.07 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.81 2kua h ILE 49 Cb 1.73 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 36.23 2kua h ILE 49 CO 0.16 0.22 -0.06 1.56 -0.69 0.00 0.00 178.15 179.33 2kua h GLN 50 N 0.57 0.00 -0.08 2.37 4.20 -1.49 -1.27 115.11 119.41 2kua h GLN 50 Ca 0.14 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.87 2kua h GLN 50 Cb 0.18 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 2kua h GLN 50 CO -0.01 0.00 0.76 -0.56 -0.67 0.00 0.00 178.83 178.36 2kua h GLN 51 N -0.74 0.00 0.02 1.46 3.07 -1.51 5.17 115.11 122.58 2kua h GLN 51 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 58.65 58.35 2kua h GLN 51 Cb 0.06 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.57 2kua h GLN 51 CO 0.00 0.00 -2.32 -0.85 0.09 0.00 0.00 178.83 175.75 2kua n GLU 52 N -2.73 0.65 -0.12 0.06 0.28 -0.87 -4.68 120.64 113.23 2kua n GLU 52 Ca 0.01 0.23 -0.20 0.00 -0.16 0.00 0.00 57.16 57.04 2kua n GLU 52 Cb 0.81 -1.57 -0.10 0.00 1.43 0.00 0.00 31.44 32.01 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 -3.61 0.00 -0.37 -1.84 8.25 0.13 -4.45 115.22 113.34 2kua n HIS 53 Ca -0.44 0.00 0.28 0.00 -0.26 0.00 0.00 57.72 57.30 2kua n HIS 53 Cb 0.96 -0.90 0.45 0.00 1.12 0.00 0.00 29.99 31.61 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 -3.52 -0.01 -0.23 -0.41 -0.00 1.65 0.14 117.38 115.00 2kua n GLN 54 Ca -0.44 0.66 0.03 0.00 -0.00 0.00 0.00 57.00 57.24 2kua n GLN 54 Cb 0.91 -1.44 0.13 0.00 -0.00 0.00 0.00 30.24 29.84 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 0.15 0.14 2.61 5.08 -1.77 0.24 114.58 121.03 2kua h GLU 55 Ca 0.53 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.58 2kua h GLU 55 Cb 2.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.23 2kua h GLU 55 CO -0.09 0.10 -1.57 0.74 -1.00 0.00 0.00 179.01 177.19 2kua h PHE 56 N 0.16 0.54 0.24 4.33 -1.00 0.94 -3.04 116.94 119.10 2kua h PHE 56 Ca 0.36 -0.40 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 2kua h PHE 56 Cb 0.61 -0.02 -0.03 0.00 3.61 0.00 0.00 35.95 40.12 2kua h PHE 56 CO -0.35 1.61 -0.42 0.74 -1.61 0.00 0.00 178.31 178.29 2kua h PHE 57 N -0.14 -1.19 -0.81 -0.55 0.04 -1.20 -1.17 116.94 111.92 2kua h PHE 57 Ca -0.33 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.46 2kua h PHE 57 Cb 1.90 0.49 -0.04 0.00 2.20 0.00 0.00 35.95 40.49 2kua h PHE 57 CO 0.11 -0.51 0.48 0.66 -0.60 0.00 0.00 178.31 178.45 2kua h SER 58 N -0.71 0.98 -1.00 2.17 4.64 -0.73 0.12 113.55 119.03 2kua h SER 58 Ca -0.03 -0.07 0.19 0.00 -0.47 0.00 0.00 61.79 61.42 2kua h SER 58 Cb 0.66 -0.25 -0.10 0.00 -0.31 0.00 0.00 62.40 62.40 2kua h SER 58 CO -0.15 0.76 0.61 0.28 -0.87 0.00 0.00 176.83 177.47 2kua h SER 59 N 1.11 0.74 0.10 4.97 0.02 -1.35 -2.14 113.55 117.00 2kua h SER 59 Ca 0.29 0.09 -0.23 0.00 -0.84 0.00 0.00 61.79 61.10 2kua h SER 59 Cb -0.03 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2kua h SER 59 CO -0.05 0.26 -1.15 0.15 -1.14 0.00 0.00 176.83 174.90 2kua h PHE 60 N 0.72 0.37 -0.97 3.45 3.04 -0.66 -3.36 116.94 119.53 2kua h PHE 60 Ca 0.57 -0.27 0.31 0.00 3.98 0.00 0.00 57.97 62.57 2kua h PHE 60 Cb 0.95 -0.01 -0.17 0.00 2.56 0.00 0.00 35.95 39.27 2kua h PHE 60 CO -0.00 1.45 0.25 0.00 -2.02 0.00 0.00 178.31 177.99 2kua n GLU 62 N -5.35 1.30 -0.03 0.00 0.28 -0.87 -2.92 120.64 113.07 2kua n GLU 62 Ca 0.28 -0.67 -0.06 0.00 -0.16 0.00 0.00 57.16 56.55 2kua n GLU 62 Cb 0.92 -1.26 -0.02 0.00 1.43 0.00 0.00 31.44 32.51 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 0.46 1.44 -0.09 -1.84 2.88 0.47 -4.88 113.62 112.06 2kua n SER 63 Ca 0.13 0.22 -0.11 0.00 -1.33 0.00 0.00 58.87 57.78 2kua n SER 63 Cb 0.67 -0.52 -0.10 0.00 -0.75 0.00 0.00 64.21 63.51 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 -3.92 0.93 0.00 -1.46 3.00 -1.25 -5.02 116.66 108.95 2kua n ARG 64 Ca -0.10 0.06 0.00 0.00 -0.01 0.00 0.00 57.85 57.80 2kua n ARG 64 Cb 0.31 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.38 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 2.33 0.70 1.21 -0.13 0.00 -1.15 -4.96 105.19 103.19 2kua n GLY 65 Ca -0.31 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 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 3.64 -0.29 1.61 3.02 -1.26 -4.57 115.26 117.41 2kua n ASN 66 Ca 0.00 -2.22 0.25 0.00 -0.03 0.00 0.00 54.58 52.57 2kua n ASN 66 Cb 0.00 -0.67 0.41 0.00 -0.61 0.00 0.00 39.78 38.92 2kua n ASN 66 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kua n ARG 67 N 0.58 -0.02 -0.00 3.52 1.74 -1.26 0.24 116.66 121.45 2kua n ARG 67 Ca 0.05 0.75 -0.13 0.00 -0.77 0.00 0.00 57.85 57.75 2kua n ARG 67 Cb 0.58 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.43 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 -0.05 -1.93 0.55 5.85 -1.94 -2.70 115.31 115.09 2kua h LEU 68 Ca 0.53 -0.54 0.14 0.00 0.84 0.00 0.00 57.88 58.85 2kua h LEU 68 Cb 1.74 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.76 2kua h LEU 68 CO -0.27 0.54 0.37 1.05 -0.34 0.00 0.00 178.44 179.79 2kua h GLU 69 N -0.67 0.08 -0.01 1.25 4.11 0.26 0.99 114.58 120.59 2kua h GLU 69 Ca -0.01 -0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.24 2kua h GLU 69 Cb 0.59 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2kua h GLU 69 CO 0.01 0.05 -0.81 -0.07 0.07 0.00 0.00 179.01 178.27 2kua h LEU 70 N 0.08 0.18 -0.30 3.06 -0.00 -1.24 -2.09 115.31 115.00 2kua h LEU 70 Ca 0.25 -0.14 -0.04 0.00 -0.00 0.00 0.00 57.88 57.95 2kua h LEU 70 Cb 0.89 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.48 2kua h LEU 70 CO -0.02 0.91 0.03 1.62 -0.00 0.00 0.00 178.44 180.98 2kua h VAL 71 N 0.09 1.24 -0.25 1.22 3.04 -0.47 -2.36 116.25 118.76 2kua h VAL 71 Ca -0.03 -0.86 -0.18 0.00 -1.01 0.00 0.00 66.70 64.62 2kua h VAL 71 Cb 1.40 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 2kua h VAL 71 CO 0.12 0.28 -0.56 0.07 -1.01 0.00 0.00 177.57 176.47 2kua h LYS 72 N 0.32 0.81 -0.39 4.17 2.10 -1.50 -3.06 116.57 119.03 2kua h LYS 72 Ca 0.09 -0.55 0.07 0.00 -2.00 0.00 0.00 60.65 58.26 2kua h LYS 72 Cb 0.38 0.08 -0.06 0.00 -0.90 0.00 0.00 32.23 31.73 2kua h LYS 72 CO 0.01 1.17 0.05 1.96 -2.00 0.00 0.00 179.45 180.64 2kua h GLN 73 N 0.57 0.17 0.34 0.07 7.50 -1.34 -2.25 115.11 120.17 2kua h GLN 73 Ca -0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 58.65 59.14 2kua h GLN 73 Cb 1.17 -0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.65 2kua h GLN 73 CO 0.12 0.11 -0.28 0.52 -1.50 0.00 0.00 178.83 177.80 2kua h MET 74 N 0.17 -0.61 -0.21 1.46 2.86 -1.45 -1.11 114.93 116.04 2kua h MET 74 Ca 0.19 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.94 2kua h MET 74 Cb 0.25 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2kua h MET 74 CO -0.27 -0.41 0.49 0.00 1.06 0.00 0.00 176.91 177.77 2kua h ALA 75 N -0.07 1.78 0.03 6.32 0.00 -1.37 0.65 119.26 126.59 2kua h ALA 75 Ca -0.02 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 2kua h ALA 75 Cb 0.56 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2kua h ALA 75 CO -0.02 -0.60 -1.03 0.22 0.00 0.00 0.00 179.25 177.82 2kua h ASP 76 N 0.00 0.11 0.05 0.00 3.58 -0.62 -0.48 116.42 119.06 2kua h ASP 76 Ca 0.10 -0.11 -0.10 0.00 0.42 0.00 0.00 57.03 57.34 2kua h ASP 76 Cb 1.07 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.09 2kua h ASP 76 CO -0.00 1.06 -0.50 0.07 -2.88 0.00 0.00 179.24 176.99 2kua h LYS 77 N 0.02 0.11 0.00 0.28 2.10 0.58 -3.42 116.57 116.24 2kua h LYS 77 Ca -0.04 -0.19 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2kua h LYS 77 Cb 1.77 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.17 2kua h LYS 77 CO 0.14 1.09 -0.07 1.37 -2.00 0.00 0.00 179.45 179.98 2kua h LEU 78 N -0.76 0.00-10.22 7.07 -0.00 -1.27 -3.47 115.31 106.66 2kua h LEU 78 Ca -0.11 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 57.29 2kua h LEU 78 Cb 1.29 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.97 2kua h LEU 78 CO 0.03 0.38 0.33 -0.76 -0.00 0.00 0.00 178.44 178.42 2kua s LEU 79 N -7.11 3.59 0.00 0.17 2.01 -0.19 -4.87 118.68 112.28 2kua s LEU 79 Ca -0.02 1.45 -0.01 0.00 0.01 0.00 0.00 54.13 55.56 2kua s LEU 79 Cb 0.00 -4.40 0.00 0.00 0.01 0.00 0.00 46.19 41.81 2kua s LEU 79 CO 0.03 -0.60 0.05 -0.24 1.01 0.00 0.00 176.35 176.60 2kua n SER 80 N -1.76 -0.13 -0.13 2.29 2.88 -1.26 -3.95 113.62 111.57 2kua n SER 80 Ca 0.06 -1.09 -0.26 0.00 -1.33 0.00 0.00 58.87 56.25 2kua n SER 80 Cb 0.54 0.22 -0.10 0.00 -0.75 0.00 0.00 64.21 64.12 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 -0.03 0.57 -0.38 -1.46 2.85 -1.26 -4.47 118.16 113.97 2kua n LYS 81 Ca -0.00 0.23 0.08 0.00 -1.05 0.00 0.00 58.31 57.56 2kua n LYS 81 Cb 0.04 -1.44 0.26 0.00 -0.65 0.00 0.00 35.03 33.23 2kua n LYS 81 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kua n ASP 82 N -4.00 3.40 -4.76 -5.58 -0.08 -1.26 -4.90 116.55 99.38 2kua n ASP 82 Ca -0.50 -2.17 -0.36 0.00 -1.51 0.00 0.00 54.79 50.25 2kua n ASP 82 Cb 0.89 -0.44 -0.08 0.00 2.34 0.00 0.00 41.12 43.82 2kua n ASP 82 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2kua s GLN 83 N -1.51 3.36 -1.11 -0.67 1.11 -1.26 -4.99 119.66 114.58 2kua s GLN 83 Ca 0.39 -0.28 -0.07 0.00 0.01 0.00 0.00 55.36 55.41 2kua s GLN 83 Cb 0.23 -3.04 -0.08 0.00 -1.01 0.00 0.00 33.01 29.11 2kua s GLN 83 CO 0.22 0.65 2.48 -0.40 0.01 0.00 0.00 175.29 178.26 2kua n ASP 84 N 2.34 6.29 -4.57 5.90 5.75 -1.26 -4.70 116.55 126.28 2kua n ASP 84 Ca -0.19 -2.41 -0.56 0.00 -0.01 0.00 0.00 54.79 51.63 2kua n ASP 84 Cb 0.54 -1.26 -0.07 0.00 -1.03 0.00 0.00 41.12 39.30 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 3.86 1.25 -3.59 2.11 -1.74 -1.26 -4.95 117.46 113.14 2kua n PHE 85 Ca 0.56 0.81 -0.20 0.00 -0.56 0.00 0.00 57.45 58.06 2kua n PHE 85 Cb 0.21 -2.25 -0.01 0.00 1.52 0.00 0.00 39.48 38.95 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 0.67 6.07 0.52 5.98 0.15 -1.26 -4.98 113.70 120.85 2kua s SER 86 Ca 0.89 -0.08 0.26 0.00 0.70 0.00 0.00 55.95 57.72 2kua s SER 86 Cb -1.10 -1.45 1.38 0.00 -1.71 0.00 0.00 66.02 63.14 2kua s SER 86 CO 0.54 -0.34 1.95 -0.50 1.20 0.00 0.00 173.24 176.09 2kua h TRP 87 N 0.95 0.07 -0.16 3.44 -0.00 -2.01 0.21 115.95 118.44 2kua h TRP 87 Ca -0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.39 2kua h TRP 87 Cb 1.25 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 30.38 2kua h TRP 87 CO 0.43 0.02 -0.03 1.03 -0.00 0.00 0.00 178.44 179.90 2kua h SER 88 N 0.05 0.22 -0.04 -3.49 0.87 -2.00 -2.47 113.55 106.69 2kua h SER 88 Ca 0.32 -0.03 -0.25 0.00 -1.23 0.00 0.00 61.79 60.61 2kua h SER 88 Cb 1.22 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 63.14 2kua h SER 88 CO -0.02 0.29 -0.94 1.56 -0.53 0.00 0.00 176.83 177.19 2kua h GLN 89 N 0.24 0.73 0.41 2.24 1.08 -0.96 -2.62 115.11 116.23 2kua h GLN 89 Ca 0.06 -0.71 -0.01 0.00 -1.45 0.00 0.00 58.65 56.54 2kua h GLN 89 Cb 0.21 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 2kua h GLN 89 CO 0.01 1.29 -0.28 -0.07 -0.95 0.00 0.00 178.83 178.83 2kua h LEU 90 N 0.44 -0.72 -1.67 1.46 3.38 -1.26 -2.25 115.31 114.69 2kua h LEU 90 Ca -0.10 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2kua h LEU 90 Cb 1.59 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 2kua h LEU 90 CO 0.19 -0.44 -0.00 -0.37 0.09 0.00 0.00 178.44 177.91 2kua h VAL 91 N -0.68 1.10 -0.48 1.22 -1.51 -1.57 -2.53 116.25 111.81 2kua h VAL 91 Ca -0.04 -0.37 0.02 0.00 -1.23 0.00 0.00 66.70 65.07 2kua h VAL 91 Cb 0.57 0.99 -0.03 0.00 -2.13 0.00 0.00 31.29 30.70 2kua h VAL 91 CO 0.02 0.12 0.30 -0.03 -1.23 0.00 0.00 177.57 176.75 2kua h MET 92 N 0.20 0.58 -0.22 5.19 -1.53 -1.03 -2.37 114.93 115.75 2kua h MET 92 Ca 0.05 -0.03 0.01 0.00 -3.44 0.00 0.00 59.70 56.29 2kua h MET 92 Cb 0.15 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 31.05 2kua h MET 92 CO 0.00 0.38 0.11 -0.07 0.14 0.00 0.00 176.91 177.47 2kua h LEU 93 N 0.60 0.16 -0.63 3.39 3.38 -0.98 -1.17 115.31 120.07 2kua h LEU 93 Ca 0.19 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.27 2kua h LEU 93 Cb -0.01 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 2kua h LEU 93 CO -0.07 0.13 0.21 -0.07 0.09 0.00 0.00 178.44 178.73 2kua h LEU 94 N 0.23 0.17 0.66 1.67 4.07 -1.41 -0.59 115.31 120.11 2kua h LEU 94 Ca 0.09 0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 2kua h LEU 94 Cb 0.02 0.09 0.01 0.00 1.08 0.00 0.00 40.66 41.86 2kua h LEU 94 CO -0.06 0.10 -0.32 0.00 -1.08 0.00 0.00 178.44 177.08 2kua h ALA 95 N 1.45 -0.89 -0.27 1.53 0.00 -1.05 -2.99 119.26 117.05 2kua h ALA 95 Ca 0.32 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2kua h ALA 95 Cb 0.44 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 2kua h ALA 95 CO -0.35 -0.92 -0.54 0.35 0.00 0.00 0.00 179.25 177.79 2kua h PHE 96 N -1.05 -1.64 -0.97 0.00 3.57 -0.91 -1.11 116.94 114.83 2kua h PHE 96 Ca -0.09 0.07 0.10 0.00 3.53 0.00 0.00 57.97 61.58 2kua h PHE 96 Cb 0.72 0.75 -0.12 0.00 2.79 0.00 0.00 35.95 40.08 2kua h PHE 96 CO -0.00 -0.52 -0.54 0.00 -2.23 0.00 0.00 178.31 175.02 2kua n ALA 97 N -3.04 -0.53 0.30 2.41 0.00 -0.26 0.19 120.51 119.58 2kua n ALA 97 Ca -0.05 0.85 0.17 0.00 0.00 0.00 0.00 53.44 54.41 2kua n ALA 97 Cb 0.36 -0.19 0.97 0.00 0.00 0.00 0.00 19.45 20.59 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 -1.23 -0.18 103.07 103.66 2kua h GLY 98 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 2kua h GLY 98 CO -0.92 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 175.38 2kua h THR 99 N 0.00 0.51 0.00 4.70 1.03 0.33 -3.33 112.91 116.15 2kua h THR 99 Ca 0.01 -1.26 -0.06 0.00 -0.01 0.00 0.00 66.41 65.09 2kua h THR 99 Cb 0.04 1.88 -0.01 0.00 -1.07 0.00 0.00 68.15 68.99 2kua h THR 99 CO -0.00 0.23 -0.61 -0.07 -0.01 0.00 0.00 175.52 175.06 2kua h LEU 100 N 0.00 0.00 -4.45 0.00 3.38 -0.08 -3.40 115.31 110.75 2kua h LEU 100 Ca -0.00 -0.18 -0.41 0.00 0.09 0.00 0.00 57.88 57.38 2kua h LEU 100 Cb 0.87 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2kua h LEU 100 CO 0.03 0.92 0.76 0.23 0.09 0.00 0.00 178.44 180.48 2kua n MET 101 N -4.59 0.00 -3.20 1.13 2.81 -0.87 -4.87 117.12 107.53 2kua n MET 101 Ca -0.13 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.51 2kua n MET 101 Cb 0.35 -0.84 -0.01 0.00 -0.71 0.00 0.00 33.22 32.01 2kua n MET 101 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2kua s ASN 102 N 3.52 6.31 -0.08 7.83 6.03 -1.26 -4.78 114.94 132.52 2kua s ASN 102 Ca 0.68 0.60 -0.02 0.00 -1.03 0.00 0.00 52.86 53.09 2kua s ASN 102 Cb -0.82 -2.10 0.03 0.00 -3.03 0.00 0.00 41.25 35.34 2kua s ASN 102 CO 0.36 -0.35 0.04 -1.10 -2.03 0.00 0.00 177.10 174.02 2kua s GLN 103 N -4.30 0.26 -0.33 3.55 -1.52 -1.26 -4.49 119.66 111.57 2kua s GLN 103 Ca 0.42 0.17 0.16 0.00 -1.95 0.00 0.00 55.36 54.16 2kua s GLN 103 Cb -0.10 -0.93 0.44 0.00 -0.22 0.00 0.00 33.01 32.21 2kua s GLN 103 CO 0.37 -0.37 1.28 0.41 -0.25 0.00 0.00 175.29 176.73 2kua n GLY 104 N 5.22 1.73 0.00 3.09 0.00 -1.26 -5.09 105.19 108.88 2kua n GLY 104 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.82 0.45 0.10 1.61 -0.04 -1.26 -4.95 135.00 130.08 2kua n PRO 105 Ca -0.03 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.55 2kua n PRO 105 Cb 0.84 0.00 0.15 0.00 -0.04 0.00 0.00 33.50 34.45 2kua n PRO 105 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2kua h TYR 106 N -0.78 0.00 0.00 0.54 3.20 -2.03 -3.46 116.97 114.44 2kua h TYR 106 Ca 0.00 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.53 2kua h TYR 106 Cb 0.00 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.18 2kua h TYR 106 CO 0.00 0.00 1.63 -1.33 -1.64 0.00 0.00 178.16 176.82 2kua n MET 107 N -2.39 0.00 0.00 1.82 2.81 -1.26 -4.81 117.12 113.29 2kua n MET 107 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 2kua n MET 107 Cb 0.48 -0.97 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 2kua n MET 107 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kua n ALA 108 N 5.93 0.00 -1.00 3.04 0.00 -1.26 -5.09 120.51 122.13 2kua n ALA 108 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2kua n ALA 108 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.54 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 0.00 0.00 -2.13 0.00 3.14 -1.26 -4.41 118.33 113.66 2kua n VAL 109 Ca 0.00 0.61 -0.34 0.00 -2.96 0.00 0.00 64.34 61.65 2kua n VAL 109 Cb 0.00 -1.40 -0.04 0.00 -1.06 0.00 0.00 33.84 31.34 2kua n VAL 109 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2kua s LYS 110 N -0.44 2.73 0.00 1.45 1.02 -1.26 -4.87 119.74 118.37 2kua s LYS 110 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.02 2kua s LYS 110 Cb 0.00 -4.72 0.00 0.00 -0.52 0.00 0.00 37.83 32.59 2kua s LYS 110 CO 0.00 -2.89 0.00 1.04 -0.92 0.00 0.00 175.35 172.58 2kua n GLN 111 N 9.05 0.00 -3.59 1.68 1.13 -1.26 -5.14 117.38 119.25 2kua n GLN 111 Ca 0.28 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 55.24 2kua n GLN 111 Cb 0.50 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.79 2kua n GLN 111 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2kua s LYS 112 N 0.00 0.52 -1.06 -1.09 2.47 -1.26 -5.08 119.74 114.24 2kua s LYS 112 Ca 0.00 0.16 -0.23 0.00 -1.56 0.00 0.00 55.97 54.34 2kua s LYS 112 Cb 0.00 0.25 -0.05 0.00 -1.46 0.00 0.00 37.83 36.57 2kua s LYS 112 CO 0.00 -0.16 1.89 -0.98 0.16 0.00 0.00 175.35 176.26 2kua s ARG 113 N -0.98 2.71 -0.03 4.03 3.03 -1.26 -4.51 118.95 121.94 2kua s ARG 113 Ca -0.00 -0.86 -0.03 0.00 2.03 0.00 0.00 55.73 56.86 2kua s ARG 113 Cb -0.01 -5.20 -0.02 0.00 -1.03 0.00 0.00 34.95 28.69 2kua s ARG 113 CO -0.00 -3.48 -0.08 -0.25 -1.13 0.00 0.00 175.30 170.36 2kua n ASP 114 N 13.38 0.72 -0.01 -2.89 9.92 -1.26 -4.82 116.55 131.59 2kua n ASP 114 Ca 0.42 0.11 0.09 0.00 -0.53 0.00 0.00 54.79 54.88 2kua n ASP 114 Cb 0.47 -0.26 -0.15 0.00 -0.64 0.00 0.00 41.12 40.54 2kua n ASP 114 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kua n LEU 115 N -3.42 0.00 -2.20 0.64 -0.00 -1.26 -5.09 117.00 105.67 2kua n LEU 115 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 2kua n LEU 115 Cb 0.43 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 2kua n LEU 115 CO 0.02 0.03 -0.42 0.61 -0.00 0.00 0.00 177.39 177.63 2kua n GLY 116 N 1.44 -4.81 2.01 1.47 0.00 -1.26 -4.56 105.19 99.48 2kua n GLY 116 Ca -0.05 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 1.90 0.48 -0.50 1.61 6.94 -1.26 -4.70 115.26 119.72 2kua n ASN 117 Ca 0.00 0.44 -0.00 0.00 -0.02 0.00 0.00 54.58 55.00 2kua n ASN 117 Cb 0.00 -0.55 -0.00 0.00 -2.36 0.00 0.00 39.78 36.87 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 4.42 0.00 0.00 -3.83 -4.01 -1.26 -4.84 116.66 107.14 2kua n ARG 118 Ca 0.32 -0.29 -0.00 0.00 -1.04 0.00 0.00 57.85 56.85 2kua n ARG 118 Cb -0.03 -0.14 -0.00 0.00 -3.04 0.00 0.00 32.46 29.25 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 5.56 0.00 0.07 8.89 2.07 -1.95 -3.24 116.25 127.65 2kua h VAL 119 Ca -0.00 -0.13 -0.29 0.00 0.82 0.00 0.00 66.70 67.09 2kua h VAL 119 Cb 1.11 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 2kua h VAL 119 CO -0.00 0.00 -1.55 0.16 0.02 0.00 0.00 177.57 176.20 2kua h ILE 120 N -0.15 1.10 -0.69 4.57 -2.65 -1.94 -3.28 117.51 114.47 2kua h ILE 120 Ca -0.00 -2.82 -0.01 0.00 1.03 0.00 0.00 64.86 63.06 2kua h ILE 120 Cb 0.02 2.66 -0.03 0.00 -2.05 0.00 0.00 36.82 37.41 2kua h ILE 120 CO 0.00 0.76 0.38 1.62 0.03 0.00 0.00 178.15 180.94 2kua h VAL 121 N 0.04 1.21 -0.48 0.16 3.04 -1.79 0.67 116.25 119.10 2kua h VAL 121 Ca -0.24 -0.52 -0.04 0.00 -1.01 0.00 0.00 66.70 64.89 2kua h VAL 121 Cb 1.98 0.30 -0.02 0.00 -2.01 0.00 0.00 31.29 31.54 2kua h VAL 121 CO 0.13 0.23 0.16 0.00 -1.01 0.00 0.00 177.57 177.08 2kua h THR 122 N 0.95 1.22 -0.04 3.17 1.03 -1.69 0.71 112.91 118.26 2kua h THR 122 Ca 0.24 -0.74 -0.21 0.00 -0.01 0.00 0.00 66.41 65.70 2kua h THR 122 Cb 0.03 0.80 -0.00 0.00 -1.07 0.00 0.00 68.15 67.91 2kua h THR 122 CO -0.04 0.27 -0.85 0.08 -0.01 0.00 0.00 175.52 174.97 2kua h ARG 123 N 0.64 0.41 -0.01 0.00 0.11 -1.56 -2.27 114.38 111.71 2kua h ARG 123 Ca 0.16 -0.40 -0.20 0.00 0.10 0.00 0.00 59.98 59.64 2kua h ARG 123 Cb 0.26 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 2kua h ARG 123 CO -0.01 1.05 -0.85 -0.44 0.10 0.00 0.00 179.97 179.83 2kua h ASP 124 N 0.25 0.31 -0.17 0.08 3.32 0.50 -2.95 116.42 117.77 2kua h ASP 124 Ca -0.06 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.64 2kua h ASP 124 Cb 1.46 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.92 2kua h ASP 124 CO 0.15 1.03 -0.32 0.00 -1.72 0.00 0.00 179.24 178.37 2kua h LEU 127 N 1.19 -0.13 -0.24 0.00 4.07 -1.52 -0.72 115.31 117.96 2kua h LEU 127 Ca 0.32 -0.34 0.02 0.00 0.08 0.00 0.00 57.88 57.97 2kua h LEU 127 Cb -0.13 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 2kua h LEU 127 CO -0.07 0.48 0.08 -0.29 -1.08 0.00 0.00 178.44 177.57 2kua h ILE 128 N -0.96 0.94 -0.15 1.22 2.10 -0.76 -2.23 117.51 117.67 2kua h ILE 128 Ca -0.02 -0.07 -0.10 0.00 1.08 0.00 0.00 64.86 65.75 2kua h ILE 128 Cb 0.45 0.73 -0.01 0.00 -1.09 0.00 0.00 36.82 36.90 2kua h ILE 128 CO 0.03 0.04 -0.37 0.58 -1.08 0.00 0.00 178.15 177.34 2kua h VAL 129 N 0.20 1.29 -0.86 2.19 2.07 0.29 -2.65 116.25 118.78 2kua h VAL 129 Ca 0.10 -1.44 0.04 0.00 0.82 0.00 0.00 66.70 66.22 2kua h VAL 129 Cb 0.07 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 2kua h VAL 129 CO -0.10 0.44 0.56 -1.13 0.02 0.00 0.00 177.57 177.36 2kua h ASN 130 N 0.27 0.92 0.09 0.57 -0.73 -0.55 0.76 115.58 116.90 2kua h ASN 130 Ca 0.03 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 2kua h ASN 130 Cb 0.78 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 39.16 2kua h ASN 130 CO 0.06 0.63 -0.04 0.15 -0.37 0.00 0.00 177.43 177.85 2kua h PHE 131 N 1.06 -0.12 0.48 0.67 3.57 -1.24 -2.75 116.94 118.62 2kua h PHE 131 Ca 0.34 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 2kua h PHE 131 Cb 0.04 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2kua h PHE 131 CO -0.00 0.42 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.19 2kua h LEU 132 N -0.84 -0.55 -0.74 0.59 4.07 -1.33 0.75 115.31 117.26 2kua h LEU 132 Ca -0.01 -0.04 0.16 0.00 0.08 0.00 0.00 57.88 58.07 2kua h LEU 132 Cb 0.58 0.14 -0.11 0.00 1.08 0.00 0.00 40.66 42.35 2kua h LEU 132 CO 0.02 -0.29 0.15 0.22 -1.08 0.00 0.00 178.44 177.46 2kua h TYR 133 N -0.79 0.23 0.00 1.13 3.20 0.38 0.17 116.97 121.29 2kua h TYR 133 Ca -0.07 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.69 2kua h TYR 133 Cb 0.56 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2kua h TYR 133 CO -0.01 -0.12 -0.77 -0.91 -1.64 0.00 0.00 178.16 174.71 2kua h ASN 134 N 0.24 0.00 0.22 -2.11 -0.26 -1.37 -1.91 115.58 110.38 2kua h ASN 134 Ca 0.42 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.16 2kua h ASN 134 Cb 0.73 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.98 2kua h ASN 134 CO -0.54 0.77 -0.19 -0.07 -1.06 0.00 0.00 177.43 176.34 2kua h LEU 135 N 0.00 -0.51 0.00 1.61 3.38 0.34 -2.07 115.31 118.06 2kua h LEU 135 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kua h LEU 135 Cb 1.45 0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.38 2kua h LEU 135 CO 0.10 -0.29 -0.23 0.00 0.09 0.00 0.00 178.44 178.11 2kua n LEU 136 N -5.32 0.65 -1.79 1.67 -0.00 -0.61 -3.42 117.00 108.19 2kua n LEU 136 Ca -0.08 0.42 -0.04 0.00 -0.00 0.00 0.00 56.01 56.31 2kua n LEU 136 Cb 0.23 -0.29 0.26 0.00 -0.00 0.00 0.00 43.42 43.62 2kua n LEU 136 CO 0.31 -0.10 0.91 0.80 -0.00 0.00 0.00 177.39 179.31 2kua n MET 137 N -2.07 3.36 -2.20 1.47 1.56 -0.72 -2.10 117.12 116.43 2kua n MET 137 Ca 0.05 -2.54 -0.26 0.00 -0.27 0.00 0.00 57.70 54.68 2kua n MET 137 Cb 0.42 -2.07 0.10 0.00 2.15 0.00 0.00 33.22 33.81 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 -0.73 1.71 0.10 -5.12 0.00 -0.82 -4.71 107.32 97.75 2kua s GLY 138 Ca 0.45 -1.08 -0.27 0.00 0.00 0.00 0.00 44.72 43.82 2kua s GLY 138 CO 0.11 -0.58 1.65 3.21 0.00 0.00 0.00 173.10 177.49 2kua h ARG 139 N -0.80 -0.45 0.10 2.90 3.08 -1.92 0.47 114.38 117.77 2kua h ARG 139 Ca -0.43 0.03 -0.15 0.00 0.07 0.00 0.00 59.98 59.50 2kua h ARG 139 Cb 1.29 0.10 0.02 0.00 0.08 0.00 0.00 29.97 31.46 2kua h ARG 139 CO 0.54 -0.30 -0.66 0.07 -1.07 0.00 0.00 179.97 178.55 2kua h ARG 140 N -0.46 0.27 -0.04 0.04 0.11 -1.95 -2.15 114.38 110.19 2kua h ARG 140 Ca 0.01 -0.42 0.03 0.00 0.10 0.00 0.00 59.98 59.70 2kua h ARG 140 Cb 0.46 0.15 -0.03 0.00 1.11 0.00 0.00 29.97 31.65 2kua h ARG 140 CO -0.09 1.18 -0.14 0.45 0.10 0.00 0.00 179.97 181.47 2kua h HIS 141 N -0.43 -0.35 0.09 4.08 3.86 -1.82 0.54 115.15 121.12 2kua h HIS 141 Ca -0.11 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.11 2kua h HIS 141 Cb 1.49 0.16 0.00 0.00 1.06 0.00 0.00 27.41 30.12 2kua h HIS 141 CO 0.20 -0.21 -0.04 -0.09 0.86 0.00 0.00 177.93 178.65 2kua h ARG 142 N -0.21 -0.11 -0.71 2.45 1.12 0.51 0.45 114.38 117.88 2kua h ARG 142 Ca 0.06 0.01 0.15 0.00 -1.11 0.00 0.00 59.98 59.09 2kua h ARG 142 Cb 0.29 0.03 -0.10 0.00 -0.01 0.00 0.00 29.97 30.18 2kua h ARG 142 CO -0.16 0.20 0.17 0.00 -3.11 0.00 0.00 179.97 177.06 2kua h ALA 143 N 0.44 0.89 0.01 2.80 0.00 -1.25 -1.58 119.26 120.58 2kua h ALA 143 Ca -0.01 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2kua h ALA 143 Cb 0.36 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.38 2kua h ALA 143 CO 0.02 -0.33 -0.46 -0.09 0.00 0.00 0.00 179.25 178.39 2kua h ARG 144 N 0.27 0.30 -0.87 0.00 9.65 -0.84 -2.06 114.38 120.83 2kua h ARG 144 Ca 0.39 -0.33 0.22 0.00 -1.10 0.00 0.00 59.98 59.16 2kua h ARG 144 Cb 0.65 0.10 -0.16 0.00 -1.39 0.00 0.00 29.97 29.17 2kua h ARG 144 CO -0.48 1.04 0.04 1.25 2.80 0.00 0.00 179.97 184.62 2kua h LEU 145 N -0.31 -0.37 0.01 3.80 7.12 0.59 0.38 115.31 126.54 2kua h LEU 145 Ca -0.06 0.23 -0.23 0.00 0.13 0.00 0.00 57.88 57.95 2kua h LEU 145 Cb 1.21 0.40 -0.03 0.00 -0.53 0.00 0.00 40.66 41.71 2kua h LEU 145 CO 0.09 -0.25 -1.12 1.05 -0.13 0.00 0.00 178.44 178.09 2kua h GLU 146 N 0.08 0.03 0.00 1.25 4.11 -1.39 -0.95 114.58 117.71 2kua h GLU 146 Ca 0.51 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.89 2kua h GLU 146 Cb 0.98 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2kua h GLU 146 CO -0.78 0.96 0.00 0.00 0.07 0.00 0.00 179.01 179.27 2kua n ALA 147 N -2.40 1.16 -1.17 1.06 0.00 0.12 -0.94 120.51 118.35 2kua n ALA 147 Ca -0.03 0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.59 2kua n ALA 147 Cb 0.96 -1.32 0.24 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.22 4.33 0.00 0.00 -0.00 -0.46 -4.88 117.00 113.76 2kua n LEU 148 Ca -0.01 -3.32 0.00 0.00 -0.00 0.00 0.00 56.01 52.68 2kua n LEU 148 Cb 0.07 -0.61 0.00 0.00 -0.00 0.00 0.00 43.42 42.88 2kua n LEU 148 CO 0.11 0.90 0.00 0.61 -0.00 0.00 0.00 177.39 179.01 2kua n GLY 149 N -0.71 0.72 4.67 1.47 0.00 -0.12 -4.66 105.19 106.57 2kua n GLY 149 Ca 0.29 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.05 -0.38 0.31 -0.02 0.00 -0.36 0.76 105.19 103.46 2kua n GLY 150 Ca 0.00 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.96 0.39 -0.31 1.61 7.02 -1.26 0.18 117.44 124.11 2kua n TRP 151 Ca 0.00 1.07 0.12 0.00 -1.02 0.00 0.00 57.50 57.67 2kua n TRP 151 Cb 0.07 -1.06 0.29 0.00 -2.42 0.00 0.00 31.31 28.20 2kua n TRP 151 CO 0.00 0.00 0.00 0.38 -2.02 0.00 0.00 177.69 176.05 2kua h ASP 152 N 0.00 0.42 0.45 -0.99 3.04 -1.94 0.36 116.42 117.76 2kua h ASP 152 Ca 0.46 0.14 -0.07 0.00 -3.24 0.00 0.00 57.03 54.31 2kua h ASP 152 Cb 0.79 0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 39.16 2kua h ASP 152 CO -0.88 0.07 -0.33 1.23 -2.04 0.00 0.00 179.24 177.29 2kua h GLY 153 N 0.48 0.00 0.62 7.15 0.00 0.80 -2.91 103.07 109.21 2kua h GLY 153 Ca 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.85 2kua h GLY 153 CO -0.48 0.00 -0.28 -2.75 0.00 0.00 0.00 176.54 173.03 2kua h PHE 154 N 0.00 -0.73 -0.98 5.60 3.57 0.08 0.14 116.94 124.63 2kua h PHE 154 Ca -0.00 -0.02 0.22 0.00 3.53 0.00 0.00 57.97 61.70 2kua h PHE 154 Cb 0.64 0.24 -0.09 0.00 2.79 0.00 0.00 35.95 39.53 2kua h PHE 154 CO 0.00 -0.43 0.63 0.00 -2.23 0.00 0.00 178.31 176.27 2kua h ARG 156 N 0.52 0.00 -0.03 0.00 1.12 -1.49 0.18 114.38 114.69 2kua h ARG 156 Ca 0.55 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 59.25 2kua h ARG 156 Cb 1.20 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.14 2kua h ARG 156 CO -0.29 0.64 -0.74 0.35 -3.11 0.00 0.00 179.97 176.82 2kua h PHE 157 N 0.00 0.25 -0.00 2.20 3.04 0.26 -3.19 116.94 119.50 2kua h PHE 157 Ca -0.01 -0.12 0.00 0.00 3.98 0.00 0.00 57.97 61.83 2kua h PHE 157 Cb 1.45 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.92 2kua h PHE 157 CO 0.00 0.85 -0.72 1.19 -2.02 0.00 0.00 178.31 177.62 2kua n PHE 158 N -3.75 0.00 -2.54 0.41 3.01 -0.01 -5.03 117.46 109.54 2kua n PHE 158 Ca -0.03 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.40 2kua n PHE 158 Cb 0.71 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.18 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 -0.97 -1.45 -1.56 -1.08 4.76 0.36 -4.91 118.16 113.30 2kua n LYS 159 Ca 0.05 1.52 -0.44 0.00 -2.87 0.00 0.00 58.31 56.57 2kua n LYS 159 Cb 0.33 -4.57 -0.01 0.00 -1.84 0.00 0.00 35.03 28.94 2kua n LYS 159 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2kua n ASN 160 N -0.80 0.82 0.10 4.39 2.85 0.31 -4.88 115.26 118.06 2kua n ASN 160 Ca 0.06 1.12 -0.02 0.00 -0.11 0.00 0.00 54.58 55.62 2kua n ASN 160 Cb 0.40 -1.25 0.21 0.00 1.24 0.00 0.00 39.78 40.37 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 1.69 0.21 -7.10 1.20 0.13 -1.90 -3.45 132.00 122.77 2kua h PRO 161 Ca -0.39 -0.11 -0.51 0.00 -0.87 0.00 0.00 66.00 64.12 2kua h PRO 161 Cb 1.35 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.70 2kua h PRO 161 CO 0.59 0.63 -0.07 1.47 -0.23 0.00 0.00 178.00 180.39 2kua n LEU 162 N -3.98 1.61 -0.10 1.56 -0.00 -1.26 -4.94 117.00 109.89 2kua n LEU 162 Ca -0.02 0.31 -0.13 0.00 -0.00 0.00 0.00 56.01 56.17 2kua n LEU 162 Cb 0.51 -1.36 -0.04 0.00 -0.00 0.00 0.00 43.42 42.53 2kua n LEU 162 CO 0.42 -2.72 0.57 1.55 -0.00 0.00 0.00 177.39 177.21 2kua h PRO 163 N -1.92 0.73 0.00 1.47 0.13 -2.03 -3.45 132.00 126.93 2kua h PRO 163 Ca -0.46 -0.38 -0.04 0.00 -0.87 0.00 0.00 66.00 64.25 2kua h PRO 163 Cb 1.28 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.45 2kua h PRO 163 CO 0.40 1.00 -0.02 1.28 -0.23 0.00 0.00 178.00 180.43 2kua n LEU 164 N -4.24 0.00 0.00 1.56 4.32 -1.26 -4.99 117.00 112.38 2kua n LEU 164 Ca -0.04 -0.10 0.00 0.00 -0.02 0.00 0.00 56.01 55.86 2kua n LEU 164 Cb 0.48 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 42.13 2kua n LEU 164 CO 0.45 -1.53 0.00 0.61 -1.22 0.00 0.00 177.39 175.71