#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu1 n ASP 2 N 0.00 -2.11 -4.17 -3.46 9.92 -1.26 -4.99 116.55 110.48 1nu1 n ASP 2 Ca 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.13 1nu1 n ASP 2 Cb 0.00 -0.35 -0.10 0.00 -0.64 0.00 0.00 41.12 40.02 1nu1 n ASP 2 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1nu1 s LEU 3 N 0.00 2.44 0.33 0.64 1.43 -1.26 -5.11 118.68 117.14 1nu1 s LEU 3 Ca 0.00 -0.87 -0.16 0.00 -1.03 0.00 0.00 54.13 52.07 1nu1 s LEU 3 Cb 0.00 -0.20 0.03 0.00 0.03 0.00 0.00 46.19 46.05 1nu1 s LEU 3 CO 0.00 -0.34 0.70 -1.61 0.23 0.00 0.00 176.35 175.33 1nu1 s GLU 4 N -3.12 1.96 0.04 1.70 2.02 -1.26 -4.66 118.70 115.38 1nu1 s GLU 4 Ca 0.07 -1.28 0.04 0.00 0.02 0.00 0.00 54.97 53.82 1nu1 s GLU 4 Cb -0.00 0.59 -0.02 0.00 0.10 0.00 0.00 34.13 34.79 1nu1 s GLU 4 CO -0.02 -0.89 -0.12 -1.17 0.02 0.00 0.00 175.26 173.08 1nu1 s LEU 5 N -3.02 2.18 -0.05 1.80 2.96 -1.26 -5.17 118.68 116.11 1nu1 s LEU 5 Ca 0.16 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1nu1 s LEU 5 Cb -0.05 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.11 1nu1 s LEU 5 CO 0.10 -0.01 0.04 -1.00 -1.32 0.00 0.00 176.35 174.16 1nu1 s HIS 6 N -0.89 3.22 0.50 5.38 3.76 -1.26 -4.87 115.29 121.13 1nu1 s HIS 6 Ca -0.00 0.21 -0.21 0.00 -0.15 0.00 0.00 55.06 54.91 1nu1 s HIS 6 Cb -0.08 -1.77 -0.10 0.00 1.11 0.00 0.00 32.58 31.75 1nu1 s HIS 6 CO 0.01 0.52 0.70 -2.30 -0.85 0.00 0.00 174.74 172.81 1nu1 n PRO 7 N 1.72 0.76 -1.93 8.40 -0.02 -1.26 -5.01 135.00 137.66 1nu1 n PRO 7 Ca -0.16 0.28 -0.29 0.00 -2.02 0.00 0.00 63.50 61.31 1nu1 n PRO 7 Cb 0.53 -1.79 0.12 0.00 -0.02 0.00 0.00 33.50 32.34 1nu1 n PRO 7 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1nu1 s PRO 8 N -2.03 1.61 -1.25 0.52 0.02 -1.26 -4.96 135.00 127.64 1nu1 s PRO 8 Ca 0.67 -0.06 -0.14 0.00 0.02 0.00 0.00 61.00 61.50 1nu1 s PRO 8 Cb -0.51 -1.93 0.15 0.00 0.02 0.00 0.00 34.50 32.23 1nu1 s PRO 8 CO 0.55 -1.81 1.59 0.45 -0.33 0.00 0.00 177.00 177.45 1nu1 n SER 9 N -3.42 5.11 -4.65 2.53 2.88 -1.26 -4.93 113.62 109.88 1nu1 n SER 9 Ca 0.10 -2.99 -0.43 0.00 -1.33 0.00 0.00 58.87 54.23 1nu1 n SER 9 Cb 0.61 -1.59 -0.02 0.00 -0.75 0.00 0.00 64.21 62.45 1nu1 n SER 9 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 1nu1 s TYR 10 N 1.83 2.26 -1.00 0.66 2.02 -1.26 -4.90 117.35 116.96 1nu1 s TYR 10 Ca 0.44 0.52 -0.21 0.00 -0.37 0.00 0.00 57.07 57.46 1nu1 s TYR 10 Cb 0.01 -3.83 -0.10 0.00 -0.40 0.00 0.00 41.96 37.65 1nu1 s TYR 10 CO 0.01 -2.98 1.95 -2.30 -1.57 0.00 0.00 175.55 170.67 1nu1 n PRO 11 N 7.15 1.83 -0.45 -1.71 -0.02 -1.26 -4.97 135.00 135.57 1nu1 n PRO 11 Ca 0.17 -2.20 -0.28 0.00 -2.02 0.00 0.00 63.50 59.17 1nu1 n PRO 11 Cb 0.44 -3.20 0.27 0.00 -0.02 0.00 0.00 33.50 30.99 1nu1 n PRO 11 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1nu1 n TRP 12 N 8.94 -1.58 1.43 6.00 7.02 -1.26 -4.90 117.44 133.10 1nu1 n TRP 12 Ca 0.49 -0.23 0.09 0.00 -1.02 0.00 0.00 57.50 56.82 1nu1 n TRP 12 Cb 0.42 -1.65 0.37 0.00 -2.42 0.00 0.00 31.31 28.02 1nu1 n TRP 12 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1nu1 n SER 13 N -5.03 1.15 -0.76 -0.99 2.88 -1.26 -3.46 113.62 106.15 1nu1 n SER 13 Ca 0.02 -1.69 0.04 0.00 -1.33 0.00 0.00 58.87 55.92 1nu1 n SER 13 Cb 0.54 -0.09 0.08 0.00 -0.75 0.00 0.00 64.21 63.99 1nu1 n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nu1 n HIS 14 N 0.00 0.00 -0.03 0.66 -0.00 -1.26 -4.50 115.22 110.09 1nu1 n HIS 14 Ca 0.14 -0.67 -0.17 0.00 -0.00 0.00 0.00 57.72 57.02 1nu1 n HIS 14 Cb 0.23 -0.14 -0.13 0.00 -0.00 0.00 0.00 29.99 29.95 1nu1 n HIS 14 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1nu1 h ARG 15 N 0.53 0.12 -6.98 -1.40 2.43 -1.86 -3.46 114.38 103.76 1nu1 h ARG 15 Ca -0.07 -0.20 -0.52 0.00 -0.81 0.00 0.00 59.98 58.38 1nu1 h ARG 15 Cb 1.40 0.07 0.21 0.00 -0.42 0.00 0.00 29.97 31.23 1nu1 h ARG 15 CO 0.03 1.10 -0.27 0.41 -1.51 0.00 0.00 179.97 179.73 1nu1 n GLY 16 N 1.62 -1.41 0.14 2.80 0.00 -1.26 -4.95 105.19 102.13 1nu1 n GLY 16 Ca -0.14 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 1nu1 n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1nu1 h LEU 17 N -1.76 0.26 -4.97 0.99 3.38 -2.01 -2.99 115.31 108.21 1nu1 h LEU 17 Ca -0.44 0.01 -0.67 0.00 0.09 0.00 0.00 57.88 56.87 1nu1 h LEU 17 Cb 1.28 -0.05 -0.36 0.00 0.09 0.00 0.00 40.66 41.63 1nu1 h LEU 17 CO 0.37 0.19 0.01 0.18 0.09 0.00 0.00 178.44 179.29 1nu1 n LEU 18 N -4.94 5.81 -4.30 1.67 4.77 -1.26 -4.90 117.00 113.85 1nu1 n LEU 18 Ca -0.01 -5.20 -0.38 0.00 -0.03 0.00 0.00 56.01 50.39 1nu1 n LEU 18 Cb 0.06 -0.73 -0.12 0.00 -2.33 0.00 0.00 43.42 40.29 1nu1 n LEU 18 CO 0.32 2.10 -0.25 -0.44 -1.33 0.00 0.00 177.39 177.78 1nu1 s SER 19 N -2.56 5.31 0.98 -1.43 0.01 -1.13 -5.04 113.70 109.85 1nu1 s SER 19 Ca 0.48 -1.04 -0.12 0.00 1.31 0.00 0.00 55.95 56.58 1nu1 s SER 19 Cb 0.37 -1.88 0.18 0.00 0.21 0.00 0.00 66.02 64.89 1nu1 s SER 19 CO -0.24 -0.30 1.09 -0.55 0.41 0.00 0.00 173.24 173.64 1nu1 s SER 20 N 1.44 2.73 0.53 2.44 0.15 -1.26 -4.62 113.70 115.11 1nu1 s SER 20 Ca -0.00 1.33 -0.08 0.00 0.70 0.00 0.00 55.95 57.90 1nu1 s SER 20 Cb -0.19 -2.01 -0.04 0.00 -1.71 0.00 0.00 66.02 62.07 1nu1 s SER 20 CO 0.03 -3.08 0.88 -0.76 1.20 0.00 0.00 173.24 171.51 1nu1 s LEU 21 N -6.46 3.48 -0.77 3.45 1.43 -1.26 -4.24 118.68 114.32 1nu1 s LEU 21 Ca 0.65 1.13 -0.19 0.00 -1.03 0.00 0.00 54.13 54.68 1nu1 s LEU 21 Cb -0.19 -4.12 0.12 0.00 0.03 0.00 0.00 46.19 42.03 1nu1 s LEU 21 CO 0.58 -0.68 0.95 -0.62 0.23 0.00 0.00 176.35 176.81 1nu1 s ASP 22 N -4.09 6.41 0.39 2.29 -1.08 -1.26 -4.89 116.67 114.44 1nu1 s ASP 22 Ca 0.50 -1.68 0.06 0.00 -0.52 0.00 0.00 52.55 50.92 1nu1 s ASP 22 Cb -0.11 -2.36 0.79 0.00 -1.46 0.00 0.00 42.92 39.79 1nu1 s ASP 22 CO 0.48 -1.13 2.02 0.45 0.52 0.00 0.00 175.17 177.51 1nu1 h HIS 23 N 9.02 0.54 -0.69 -5.34 3.86 -1.96 0.87 115.15 121.46 1nu1 h HIS 23 Ca -0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1nu1 h HIS 23 Cb 1.05 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.31 1nu1 h HIS 23 CO 1.02 0.38 0.43 1.15 0.86 0.00 0.00 177.93 181.77 1nu1 h THR 24 N 0.57 1.19 0.00 2.45 2.02 -1.97 -1.52 112.91 115.66 1nu1 h THR 24 Ca 0.15 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1nu1 h THR 24 Cb 0.00 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1nu1 h THR 24 CO -0.03 0.19 0.00 -0.24 0.37 0.00 0.00 175.52 175.82 1nu1 n SER 25 N -4.57 0.34 0.12 4.18 2.88 0.16 -2.64 113.62 114.10 1nu1 n SER 25 Ca 0.06 0.56 0.03 0.00 -1.33 0.00 0.00 58.87 58.18 1nu1 n SER 25 Cb 0.04 -0.64 0.01 0.00 -0.75 0.00 0.00 64.21 62.87 1nu1 n SER 25 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1nu1 h ILE 26 N 0.00 0.75 0.67 2.46 2.04 -0.10 -3.14 117.51 120.18 1nu1 h ILE 26 Ca 0.00 -2.11 -0.03 0.00 1.00 0.00 0.00 64.86 63.72 1nu1 h ILE 26 Cb 0.43 2.32 0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1nu1 h ILE 26 CO 0.00 0.43 -0.32 0.03 0.00 0.00 0.00 178.15 178.29 1nu1 h ARG 27 N 0.00 -0.86 -0.95 2.37 3.08 -1.32 0.77 114.38 117.48 1nu1 h ARG 27 Ca -0.03 0.06 0.21 0.00 0.07 0.00 0.00 59.98 60.28 1nu1 h ARG 27 Cb 1.40 0.20 -0.08 0.00 0.08 0.00 0.00 29.97 31.57 1nu1 h ARG 27 CO 0.06 -0.57 0.61 0.00 -1.07 0.00 0.00 179.97 179.00 1nu1 h ARG 28 N -1.23 0.48 -0.23 0.04 3.08 -1.68 0.93 114.38 115.78 1nu1 h ARG 28 Ca -0.09 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 1nu1 h ARG 28 Cb 0.69 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1nu1 h ARG 28 CO 0.15 0.32 -0.27 0.78 -1.07 0.00 0.00 179.97 179.87 1nu1 h GLY 29 N 0.50 0.64 0.58 0.04 0.00 -1.43 0.19 103.07 103.59 1nu1 h GLY 29 Ca 0.51 -0.68 0.05 0.00 0.00 0.00 0.00 47.33 47.21 1nu1 h GLY 29 CO -0.24 0.61 -0.01 -2.75 0.00 0.00 0.00 176.54 174.16 1nu1 h PHE 30 N 0.28 -0.03 -0.18 5.60 3.57 0.21 0.14 116.94 126.53 1nu1 h PHE 30 Ca 0.03 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.60 1nu1 h PHE 30 Cb 0.84 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.56 1nu1 h PHE 30 CO 0.08 -0.05 -0.36 1.96 -2.23 0.00 0.00 178.31 177.71 1nu1 h GLN 31 N 0.07 -0.39 -1.01 1.11 4.20 0.99 0.68 115.11 120.76 1nu1 h GLN 31 Ca 0.12 0.03 0.28 0.00 0.06 0.00 0.00 58.65 59.14 1nu1 h GLN 31 Cb 0.16 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 1nu1 h GLN 31 CO -0.22 -0.26 0.70 0.28 -0.67 0.00 0.00 178.83 178.67 1nu1 h VAL 32 N -0.41 0.52 -0.00 -0.54 2.07 0.73 0.13 116.25 118.75 1nu1 h VAL 32 Ca 0.10 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 1nu1 h VAL 32 Cb 0.58 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1nu1 h VAL 32 CO -0.41 0.02 -0.37 0.22 0.02 0.00 0.00 177.57 177.06 1nu1 h TYR 33 N 0.13 0.38 -1.02 1.57 3.20 0.28 -3.18 116.97 118.33 1nu1 h TYR 33 Ca 0.50 -0.20 0.26 0.00 3.14 0.00 0.00 58.73 62.43 1nu1 h TYR 33 Cb 1.76 -0.04 -0.12 0.00 1.54 0.00 0.00 36.73 39.87 1nu1 h TYR 33 CO -0.00 1.01 0.62 -0.22 -1.64 0.00 0.00 178.16 177.93 1nu1 h LYS 34 N -0.36 0.49 0.00 1.82 3.64 0.23 -1.13 116.57 121.26 1nu1 h LYS 34 Ca -0.05 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1nu1 h LYS 34 Cb 1.11 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 1nu1 h LYS 34 CO 0.07 0.32 -1.12 1.04 -2.27 0.00 0.00 179.45 177.50 1nu1 n GLN 35 N -4.81 0.49 0.03 1.90 6.02 -1.16 -4.64 117.38 115.22 1nu1 n GLN 35 Ca 0.27 0.20 -0.01 0.00 -0.01 0.00 0.00 57.00 57.44 1nu1 n GLN 35 Cb 0.81 -1.36 -0.01 0.00 1.02 0.00 0.00 30.24 30.71 1nu1 n GLN 35 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1nu1 h VAL 36 N -0.92 0.00 -0.40 5.09 2.07 -1.65 -3.41 116.25 117.04 1nu1 h VAL 36 Ca -0.09 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1nu1 h VAL 36 Cb 1.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1nu1 h VAL 36 CO -0.05 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.69 1nu1 n SER 38 N -4.64 0.11 -0.99 0.00 3.41 -0.43 0.61 113.62 111.68 1nu1 n SER 38 Ca -0.00 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.05 1nu1 n SER 38 Cb 0.15 -0.26 0.19 0.00 -0.26 0.00 0.00 64.21 64.03 1nu1 n SER 38 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1nu1 n SER 39 N -1.56 3.03 0.00 4.04 3.41 -1.22 -3.66 113.62 117.65 1nu1 n SER 39 Ca -0.00 -1.95 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 1nu1 n SER 39 Cb 0.38 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1nu1 n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nu1 s HIS 41 N -1.10 3.24 0.32 0.00 3.76 0.19 -4.63 115.29 117.07 1nu1 s HIS 41 Ca 0.00 0.33 -0.28 0.00 -0.15 0.00 0.00 55.06 54.97 1nu1 s HIS 41 Cb 0.00 -2.52 -0.09 0.00 1.11 0.00 0.00 32.58 31.08 1nu1 s HIS 41 CO 0.00 -0.21 1.08 -1.54 -0.85 0.00 0.00 174.74 173.23 1nu1 s SER 42 N 1.67 7.09 -0.35 1.40 1.04 -1.26 -4.35 113.70 118.93 1nu1 s SER 42 Ca 0.13 2.20 0.15 0.00 0.48 0.00 0.00 55.95 58.90 1nu1 s SER 42 Cb -0.16 -2.61 0.42 0.00 0.10 0.00 0.00 66.02 63.77 1nu1 s SER 42 CO 0.10 -0.27 0.91 0.80 0.98 0.00 0.00 173.24 175.76 1nu1 n MET 43 N 0.77 1.38 0.20 4.02 0.00 -1.25 -0.60 117.12 121.64 1nu1 n MET 43 Ca 0.01 -3.46 0.06 0.00 0.00 0.00 0.00 57.70 54.31 1nu1 n MET 43 Cb 0.46 -1.49 0.31 0.00 0.00 0.00 0.00 33.22 32.50 1nu1 n MET 43 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1nu1 h ASP 44 N 2.96 0.00 0.00 6.12 3.45 -1.94 -2.62 116.42 124.39 1nu1 h ASP 44 Ca -0.00 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.30 1nu1 h ASP 44 Cb 1.08 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.82 1nu1 h ASP 44 CO 0.54 0.00 -1.96 -1.22 -1.57 0.00 0.00 179.24 175.03 1nu1 n TYR 45 N -2.12 0.00 -2.95 4.55 0.53 -1.26 -4.69 117.16 111.22 1nu1 n TYR 45 Ca -0.01 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 56.57 1nu1 n TYR 45 Cb 0.48 -0.61 -0.04 0.00 -1.03 0.00 0.00 39.34 38.14 1nu1 n TYR 45 CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 1nu1 s VAL 46 N -2.75 4.79 0.21 -0.72 1.01 -0.99 -4.99 120.40 116.97 1nu1 s VAL 46 Ca -0.07 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1nu1 s VAL 46 Cb 0.08 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1nu1 s VAL 46 CO 0.68 -0.44 0.07 0.00 0.00 0.00 0.00 175.10 175.41 1nu1 s ALA 47 N -2.28 1.46 0.19 5.51 0.00 -1.26 -2.53 121.76 122.85 1nu1 s ALA 47 Ca 0.51 -1.73 -0.10 0.00 0.00 0.00 0.00 51.96 50.64 1nu1 s ALA 47 Cb -0.10 0.92 0.10 0.00 0.00 0.00 0.00 23.12 24.04 1nu1 s ALA 47 CO 0.29 -0.44 1.74 1.88 0.00 0.00 0.00 175.76 179.23 1nu1 h TYR 48 N 2.55 1.02 -0.12 0.00 -1.99 -1.44 -1.29 116.97 115.70 1nu1 h TYR 48 Ca -0.37 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.23 1nu1 h TYR 48 Cb 1.23 -0.30 -0.01 0.00 2.00 0.00 0.00 36.73 39.65 1nu1 h TYR 48 CO 0.46 0.81 -0.11 0.07 -0.00 0.00 0.00 178.16 179.39 1nu1 h ARG 49 N 0.94 0.19 -0.06 4.88 0.11 -1.53 -2.14 114.38 116.76 1nu1 h ARG 49 Ca 0.22 -0.04 0.02 0.00 0.10 0.00 0.00 59.98 60.28 1nu1 h ARG 49 Cb 0.23 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 31.28 1nu1 h ARG 49 CO -0.01 0.31 0.06 0.45 0.10 0.00 0.00 179.97 180.87 1nu1 h HIS 50 N 0.18 0.00 0.00 4.08 3.86 -1.53 0.35 115.15 122.08 1nu1 h HIS 50 Ca 0.04 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.19 1nu1 h HIS 50 Cb 0.31 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1nu1 h HIS 50 CO 0.00 0.00 -0.30 -0.07 0.86 0.00 0.00 177.93 178.42 1nu1 h LEU 51 N 0.00 0.00 -0.07 2.43 3.38 -1.29 -3.38 115.31 116.38 1nu1 h LEU 51 Ca 0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1nu1 h LEU 51 Cb 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1nu1 h LEU 51 CO -0.00 0.30 -0.25 0.58 0.09 0.00 0.00 178.44 179.17 1nu1 h VAL 52 N 0.00 0.42 -0.36 1.22 2.07 -0.31 -1.57 116.25 117.72 1nu1 h VAL 52 Ca -0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1nu1 h VAL 52 Cb 1.10 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1nu1 h VAL 52 CO 0.04 0.00 0.04 1.23 0.02 0.00 0.00 177.57 178.90 1nu1 h GLY 53 N -0.34 0.59 0.00 2.17 0.00 -1.73 -3.40 103.07 100.35 1nu1 h GLY 53 Ca 0.08 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1nu1 h GLY 53 CO -0.27 0.31 0.00 -0.62 0.00 0.00 0.00 176.54 175.96 1nu1 n VAL 54 N -4.30 0.00 -0.06 4.60 0.31 -0.61 -4.92 118.33 113.35 1nu1 n VAL 54 Ca 0.02 0.24 -0.06 0.00 -0.01 0.00 0.00 64.34 64.52 1nu1 n VAL 54 Cb 0.22 -0.85 -0.02 0.00 -0.91 0.00 0.00 33.84 32.28 1nu1 n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1nu1 n TYR 56 N -3.91 -3.40 -4.50 0.00 4.01 -1.25 -5.07 117.16 103.04 1nu1 n TYR 56 Ca -0.09 -0.62 -0.24 0.00 -0.16 0.00 0.00 57.90 56.79 1nu1 n TYR 56 Cb 0.35 -0.84 -0.10 0.00 -0.31 0.00 0.00 39.34 38.43 1nu1 n TYR 56 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1nu1 s THR 57 N -2.00 2.06 0.15 -0.72 -4.23 -1.26 -4.79 115.64 104.85 1nu1 s THR 57 Ca 0.48 -2.20 -0.26 0.00 -1.18 0.00 0.00 61.69 58.53 1nu1 s THR 57 Cb -0.07 -2.54 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 1nu1 s THR 57 CO 0.39 -0.26 1.40 -0.62 -0.54 0.00 0.00 174.62 174.99 1nu1 n GLU 58 N -0.70 -0.37 0.18 3.99 1.02 -1.26 -1.32 120.64 122.17 1nu1 n GLU 58 Ca -0.05 1.38 -0.16 0.00 -0.02 0.00 0.00 57.16 58.31 1nu1 n GLU 58 Cb 0.63 -2.03 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 1nu1 n GLU 58 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1nu1 h ASP 59 N 0.00 -1.23 -0.59 1.62 3.32 -2.00 -2.65 116.42 114.89 1nu1 h ASP 59 Ca 0.17 0.12 0.11 0.00 0.02 0.00 0.00 57.03 57.46 1nu1 h ASP 59 Cb 0.40 0.44 -0.09 0.00 0.22 0.00 0.00 39.33 40.30 1nu1 h ASP 59 CO -0.86 -0.54 0.08 -0.33 -1.72 0.00 0.00 179.24 175.87 1nu1 h GLU 60 N -0.76 0.19 -0.29 3.56 5.08 -1.74 -2.33 114.58 118.30 1nu1 h GLU 60 Ca -0.01 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1nu1 h GLU 60 Cb 0.73 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1nu1 h GLU 60 CO -0.16 0.13 0.10 0.00 -1.00 0.00 0.00 179.01 178.08 1nu1 h ALA 61 N 1.49 0.33 0.01 3.43 0.00 -1.05 -0.53 119.26 122.94 1nu1 h ALA 61 Ca 0.31 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.26 1nu1 h ALA 61 Cb 0.47 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1nu1 h ALA 61 CO -0.44 -0.30 -0.33 0.87 0.00 0.00 0.00 179.25 179.05 1nu1 h LYS 62 N 0.23 -0.40 -0.67 0.00 1.57 -1.06 0.40 116.57 116.64 1nu1 h LYS 62 Ca 0.13 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.08 1nu1 h LYS 62 Cb 0.09 0.09 -0.11 0.00 0.08 0.00 0.00 32.23 32.38 1nu1 h LYS 62 CO -0.13 -0.27 0.02 0.00 -0.57 0.00 0.00 179.45 178.50 1nu1 h ALA 63 N -0.85 0.69 -0.69 3.86 0.00 -1.18 0.58 119.26 121.67 1nu1 h ALA 63 Ca 0.01 0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1nu1 h ALA 63 Cb 0.45 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1nu1 h ALA 63 CO -0.22 -0.40 0.38 -0.07 0.00 0.00 0.00 179.25 178.95 1nu1 h LEU 64 N 0.13 0.56 -0.95 0.00 3.38 -0.47 0.19 115.31 118.14 1nu1 h LEU 64 Ca 0.36 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.27 1nu1 h LEU 64 Cb 0.60 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1nu1 h LEU 64 CO -0.57 0.35 -0.28 0.00 0.09 0.00 0.00 178.44 178.03 1nu1 h ALA 65 N 1.37 1.11 0.00 1.53 0.00 0.14 -2.72 119.26 120.69 1nu1 h ALA 65 Ca 0.31 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nu1 h ALA 65 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1nu1 h ALA 65 CO -0.20 0.56 0.00 0.39 0.00 0.00 0.00 179.25 180.00 1nu1 n GLU 66 N -4.11 0.33 -0.71 0.00 1.02 0.18 -3.52 120.64 113.82 1nu1 n GLU 66 Ca -0.01 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 1nu1 n GLU 66 Cb 0.42 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.47 1nu1 n GLU 66 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nu1 n GLU 67 N -1.20 2.00 -1.19 3.49 1.02 -0.83 -4.70 120.64 119.23 1nu1 n GLU 67 Ca 0.09 -1.83 0.00 0.00 -0.02 0.00 0.00 57.16 55.40 1nu1 n GLU 67 Cb 0.11 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 1nu1 n GLU 67 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1nu1 n VAL 68 N -0.37 0.00 -3.70 2.62 0.31 -1.22 -5.12 118.33 110.87 1nu1 n VAL 68 Ca 0.33 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.51 1nu1 n VAL 68 Cb 1.16 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.94 1nu1 n VAL 68 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1nu1 s GLU 69 N -1.21 0.07 -0.15 5.55 2.02 -1.25 -4.32 118.70 119.40 1nu1 s GLU 69 Ca 0.00 0.51 -0.12 0.00 0.02 0.00 0.00 54.97 55.38 1nu1 s GLU 69 Cb 0.00 -0.22 -0.08 0.00 0.10 0.00 0.00 34.13 33.92 1nu1 s GLU 69 CO 0.00 -0.25 0.02 0.28 0.02 0.00 0.00 175.26 175.33 1nu1 h VAL 70 N 6.25 0.37 0.00 2.63 2.07 -1.49 -3.45 116.25 122.62 1nu1 h VAL 70 Ca -0.24 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1nu1 h VAL 70 Cb 1.13 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1nu1 h VAL 70 CO 0.24 0.13 0.00 1.67 0.02 0.00 0.00 177.57 179.63 1nu1 n GLN 71 N -4.59 0.00 -0.89 1.57 7.27 -1.25 -4.93 117.38 114.55 1nu1 n GLN 71 Ca -0.13 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.71 1nu1 n GLN 71 Cb 0.35 0.00 0.19 0.00 2.41 0.00 0.00 30.24 33.19 1nu1 n GLN 71 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1nu1 n ASP 72 N 0.00 -1.61 -4.63 1.69 2.03 -1.26 -4.95 116.55 107.82 1nu1 n ASP 72 Ca 0.00 -1.06 -0.29 0.00 0.52 0.00 0.00 54.79 53.95 1nu1 n ASP 72 Cb 0.00 -0.78 0.18 0.00 -0.72 0.00 0.00 41.12 39.80 1nu1 n ASP 72 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1nu1 s GLY 73 N -4.18 1.60 0.59 0.27 0.00 -1.26 -4.39 107.32 99.95 1nu1 s GLY 73 Ca 0.55 0.01 -0.16 0.00 0.00 0.00 0.00 44.72 45.12 1nu1 s GLY 73 CO 0.42 0.57 1.08 -4.14 0.00 0.00 0.00 173.10 171.03 1nu1 s PRO 74 N -4.73 3.24 -0.01 2.90 0.02 -1.26 -4.67 135.00 130.50 1nu1 s PRO 74 Ca 0.66 1.32 -0.00 0.00 0.02 0.00 0.00 61.00 62.99 1nu1 s PRO 74 Cb -0.21 -2.02 0.01 0.00 0.02 0.00 0.00 34.50 32.30 1nu1 s PRO 74 CO 0.60 -0.88 0.01 1.21 -0.33 0.00 0.00 177.00 177.60 1nu1 s ASN 75 N -2.53 0.02 0.00 2.53 3.84 -1.26 -4.87 114.94 112.66 1nu1 s ASN 75 Ca 0.66 0.02 0.00 0.00 0.21 0.00 0.00 52.86 53.75 1nu1 s ASN 75 Cb -0.18 -0.01 0.00 0.00 -0.55 0.00 0.00 41.25 40.50 1nu1 s ASN 75 CO 0.35 -0.04 0.00 -0.62 -2.79 0.00 0.00 177.10 174.00 1nu1 n GLU 76 N 3.41 0.00 0.01 0.43 1.02 -1.26 -2.08 120.64 122.18 1nu1 n GLU 76 Ca -0.17 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.11 1nu1 n GLU 76 Cb 0.57 0.00 0.51 0.00 -0.02 0.00 0.00 31.44 32.50 1nu1 n GLU 76 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1nu1 n ASP 77 N 0.00 0.21 -2.34 1.62 9.92 -1.26 -4.95 116.55 119.75 1nu1 n ASP 77 Ca 0.00 0.35 -0.02 0.00 -0.53 0.00 0.00 54.79 54.60 1nu1 n ASP 77 Cb 0.00 -0.37 0.00 0.00 -0.64 0.00 0.00 41.12 40.12 1nu1 n ASP 77 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nu1 n GLY 78 N 1.47 -0.90 0.00 0.44 0.00 -0.88 -5.06 105.19 100.27 1nu1 n GLY 78 Ca 0.06 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1nu1 n GLY 78 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nu1 n GLU 79 N -1.08 0.00 0.00 1.61 1.02 -1.26 -4.92 120.64 116.01 1nu1 n GLU 79 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1nu1 n GLU 79 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.84 1nu1 n GLU 79 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1nu1 n MET 80 N -0.08 0.00 0.00 3.49 2.81 -1.26 -5.01 117.12 117.07 1nu1 n MET 80 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1nu1 n MET 80 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1nu1 n MET 80 CO 0.00 0.00 0.00 1.97 1.51 0.00 0.00 175.97 179.45 1nu1 n PHE 81 N 0.00 0.00 -3.92 2.03 1.16 -1.26 -5.01 117.46 110.46 1nu1 n PHE 81 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.49 1nu1 n PHE 81 Cb 0.00 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 37.79 1nu1 n PHE 81 CO 0.00 0.00 0.00 -1.64 -1.87 0.00 0.00 176.76 173.25 1nu1 s MET 82 N 2.09 0.74 -0.03 3.97 -1.94 -1.26 -3.95 119.30 118.92 1nu1 s MET 82 Ca 0.00 -0.97 -0.13 0.00 -1.71 0.00 0.00 55.69 52.88 1nu1 s MET 82 Cb 0.00 0.29 0.02 0.00 2.01 0.00 0.00 34.83 37.15 1nu1 s MET 82 CO 0.00 -0.21 0.29 0.50 -0.01 0.00 0.00 175.02 175.59 1nu1 s ARG 83 N -3.62 0.59 0.61 2.03 3.52 -1.26 -4.81 118.95 116.01 1nu1 s ARG 83 Ca 0.03 -0.11 0.29 0.00 -0.13 0.00 0.00 55.73 55.81 1nu1 s ARG 83 Cb 0.04 0.26 1.54 0.00 -1.56 0.00 0.00 34.95 35.24 1nu1 s ARG 83 CO -0.09 -0.15 1.94 -1.35 -0.81 0.00 0.00 175.30 174.83 1nu1 h PRO 84 N 4.22 0.00 0.00 5.12 0.11 -1.87 -1.06 132.00 138.52 1nu1 h PRO 84 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1nu1 h PRO 84 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1nu1 h PRO 84 CO 0.39 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.59 1nu1 n GLY 85 N -1.42 1.75 0.00 -0.55 0.00 -1.26 -3.39 105.19 100.32 1nu1 n GLY 85 Ca 0.05 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1nu1 n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nu1 n LYS 86 N 2.75 0.00 0.00 1.61 5.02 -1.26 -3.36 118.16 122.92 1nu1 n LYS 86 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1nu1 n LYS 86 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1nu1 n LYS 86 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1nu1 n LEU 87 N 0.00 0.00 -0.15 -0.35 4.77 -1.26 -4.55 117.00 115.46 1nu1 n LEU 87 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 1nu1 n LEU 87 Cb 0.00 0.00 0.73 0.00 -2.33 0.00 0.00 43.42 41.82 1nu1 n LEU 87 CO 0.00 0.00 0.98 -1.20 -1.33 0.00 0.00 177.39 175.84 1nu1 n SER 88 N -0.26 0.45 -4.88 -1.43 7.64 -1.26 -1.53 113.62 112.35 1nu1 n SER 88 Ca 0.00 -1.25 -0.31 0.00 1.01 0.00 0.00 58.87 58.32 1nu1 n SER 88 Cb 0.00 -0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 1nu1 n SER 88 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1nu1 s ASP 89 N -1.88 6.58 0.00 6.43 1.01 -1.26 -4.97 116.67 122.58 1nu1 s ASP 89 Ca 0.40 0.85 0.00 0.00 0.71 0.00 0.00 52.55 54.51 1nu1 s ASP 89 Cb 0.19 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.93 1nu1 s ASP 89 CO 0.32 -0.08 0.00 -1.22 0.21 0.00 0.00 175.17 174.40 1nu1 n TYR 90 N -0.26 0.00 -1.87 4.23 4.02 -1.26 -2.08 117.16 119.95 1nu1 n TYR 90 Ca -0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.63 1nu1 n TYR 90 Cb 0.53 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.88 1nu1 n TYR 90 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1nu1 n PHE 91 N 0.00 2.83 -2.22 -0.72 3.01 -1.05 -4.68 117.46 114.62 1nu1 n PHE 91 Ca 0.00 -2.39 -0.43 0.00 1.01 0.00 0.00 57.45 55.64 1nu1 n PHE 91 Cb 0.00 -0.58 -0.02 0.00 -0.01 0.00 0.00 39.48 38.87 1nu1 n PHE 91 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 1nu1 s PRO 92 N -3.65 3.55 0.00 -1.08 0.02 -1.26 -3.91 135.00 128.68 1nu1 s PRO 92 Ca 0.54 1.19 0.00 0.00 0.02 0.00 0.00 61.00 62.75 1nu1 s PRO 92 Cb 0.43 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.88 1nu1 s PRO 92 CO 0.03 -1.59 0.00 1.63 -0.33 0.00 0.00 177.00 176.74 1nu1 n LYS 93 N 8.08 0.00 0.00 5.54 5.02 -1.26 -5.01 118.16 130.52 1nu1 n LYS 93 Ca 0.19 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1nu1 n LYS 93 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 1nu1 n LYS 93 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1nu1 n PRO 94 N -0.97 0.00 -3.82 1.97 -0.02 -1.24 -4.64 135.00 126.28 1nu1 n PRO 94 Ca 0.00 0.19 -0.11 0.00 -2.02 0.00 0.00 63.50 61.56 1nu1 n PRO 94 Cb 0.00 -0.31 -0.08 0.00 -0.02 0.00 0.00 33.50 33.09 1nu1 n PRO 94 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1nu1 s TYR 95 N -2.31 -0.01 0.00 6.00 -0.85 -1.26 -5.01 117.35 113.91 1nu1 s TYR 95 Ca 0.00 -0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.43 1nu1 s TYR 95 Cb 0.00 0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.35 1nu1 s TYR 95 CO 0.00 -0.41 0.00 -2.30 -1.52 0.00 0.00 175.55 171.32 1nu1 n PRO 96 N 0.89 0.00 -1.99 -3.49 -0.02 -1.26 -4.85 135.00 124.27 1nu1 n PRO 96 Ca -0.20 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 60.93 1nu1 n PRO 96 Cb 0.58 -0.42 0.03 0.00 -0.02 0.00 0.00 33.50 33.67 1nu1 n PRO 96 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1nu1 s ASN 97 N -2.29 5.27 0.24 2.55 0.02 -1.26 -4.96 114.94 114.52 1nu1 s ASN 97 Ca 0.00 2.22 -0.05 0.00 -1.02 0.00 0.00 52.86 54.01 1nu1 s ASN 97 Cb 0.00 -2.58 0.41 0.00 0.02 0.00 0.00 41.25 39.10 1nu1 s ASN 97 CO 0.00 -1.53 1.77 -0.65 0.02 0.00 0.00 177.10 176.71 1nu1 h PRO 98 N 0.70 0.58 0.00 -0.60 0.11 -2.04 -2.27 132.00 128.47 1nu1 h PRO 98 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1nu1 h PRO 98 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1nu1 h PRO 98 CO 0.55 0.38 0.00 -0.85 -0.21 0.00 0.00 178.00 177.87 1nu1 n GLU 99 N -4.88 0.10 0.06 1.05 0.00 -1.26 -2.14 120.64 113.57 1nu1 n GLU 99 Ca 0.13 0.44 0.11 0.00 0.00 0.00 0.00 57.16 57.84 1nu1 n GLU 99 Cb 0.34 -1.73 0.44 0.00 0.00 0.00 0.00 31.44 30.49 1nu1 n GLU 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1nu1 n ALA 100 N -1.65 1.89 -0.02 -1.84 0.00 -0.86 0.37 120.51 118.40 1nu1 n ALA 100 Ca 0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1nu1 n ALA 100 Cb 0.13 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.08 1nu1 n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nu1 h ALA 101 N 2.52 0.07 0.26 0.00 0.00 -1.61 -3.24 119.26 117.25 1nu1 h ALA 101 Ca 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 1nu1 h ALA 101 Cb 0.42 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1nu1 h ALA 101 CO 0.00 0.45 -0.17 0.00 0.00 0.00 0.00 179.25 179.53 1nu1 h ARG 102 N -0.62 -0.40 -0.89 0.00 3.08 -1.49 0.76 114.38 114.82 1nu1 h ARG 102 Ca -0.18 0.03 0.19 0.00 0.07 0.00 0.00 59.98 60.09 1nu1 h ARG 102 Cb 1.45 0.09 -0.11 0.00 0.08 0.00 0.00 29.97 31.48 1nu1 h ARG 102 CO 0.03 -0.27 0.43 0.00 -1.07 0.00 0.00 179.97 179.09 1nu1 h ALA 103 N 0.30 1.40 -0.22 0.04 0.00 -0.26 0.61 119.26 121.13 1nu1 h ALA 103 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nu1 h ALA 103 Cb 0.35 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1nu1 h ALA 103 CO 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.04 1nu1 n ALA 104 N -2.45 -0.11 1.32 0.00 0.00 -0.80 -4.20 120.51 114.28 1nu1 n ALA 104 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.76 1nu1 n ALA 104 Cb 0.57 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.66 1nu1 n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nu1 n ASN 105 N -1.89 0.00 -1.77 0.00 3.02 0.26 -4.94 115.26 109.94 1nu1 n ASN 105 Ca 0.00 -0.54 -0.01 0.00 -0.03 0.00 0.00 54.58 53.99 1nu1 n ASN 105 Cb 0.00 -0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.09 1nu1 n ASN 105 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1nu1 n ASN 106 N -1.07 -1.59 -3.30 6.41 2.85 0.20 -4.56 115.26 114.20 1nu1 n ASN 106 Ca 0.15 0.34 -0.23 0.00 -0.11 0.00 0.00 54.58 54.74 1nu1 n ASN 106 Cb 0.10 -2.09 -0.05 0.00 1.24 0.00 0.00 39.78 38.99 1nu1 n ASN 106 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1nu1 n GLY 107 N 0.44 -0.19 3.00 8.20 0.00 -0.46 -4.88 105.19 111.30 1nu1 n GLY 107 Ca -0.11 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1nu1 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nu1 s ALA 108 N -2.64 -0.41 -0.23 4.61 0.00 -1.26 -4.99 121.76 116.83 1nu1 s ALA 108 Ca 0.36 0.76 -0.06 0.00 0.00 0.00 0.00 51.96 53.01 1nu1 s ALA 108 Cb -0.21 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1nu1 s ALA 108 CO 0.58 -0.15 0.03 -0.51 0.00 0.00 0.00 175.76 175.71 1nu1 s LEU 109 N 0.95 3.33 -0.91 0.00 1.43 -1.26 -3.84 118.68 118.39 1nu1 s LEU 109 Ca -0.07 -0.21 -0.24 0.00 -1.03 0.00 0.00 54.13 52.58 1nu1 s LEU 109 Cb -0.09 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 1nu1 s LEU 109 CO -0.05 0.01 1.78 -2.84 0.23 0.00 0.00 176.35 175.48 1nu1 s PRO 110 N 1.32 2.87 0.33 1.29 0.02 -1.26 -4.96 135.00 134.61 1nu1 s PRO 110 Ca 0.04 -0.46 -0.29 0.00 0.02 0.00 0.00 61.00 60.32 1nu1 s PRO 110 Cb -0.15 -5.07 -0.11 0.00 0.02 0.00 0.00 34.50 29.20 1nu1 s PRO 110 CO 0.02 -2.96 1.47 -2.14 -0.33 0.00 0.00 177.00 173.06 1nu1 s PRO 111 N 6.39 4.18 -0.00 5.54 0.02 -1.26 -4.38 135.00 145.49 1nu1 s PRO 111 Ca 0.62 2.47 -0.31 0.00 0.02 0.00 0.00 61.00 63.81 1nu1 s PRO 111 Cb -0.05 -3.02 -0.15 0.00 0.02 0.00 0.00 34.50 31.30 1nu1 s PRO 111 CO -0.01 -0.48 0.82 -0.40 -0.33 0.00 0.00 177.00 176.60 1nu1 n ASP 112 N 1.13 -0.01 -0.15 2.53 5.75 -1.26 -4.77 116.55 119.78 1nu1 n ASP 112 Ca 0.03 0.89 0.14 0.00 -0.01 0.00 0.00 54.79 55.84 1nu1 n ASP 112 Cb 0.39 -0.70 0.58 0.00 -1.03 0.00 0.00 41.12 40.36 1nu1 n ASP 112 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1nu1 n LEU 113 N 1.15 0.59 -0.28 -2.12 4.32 0.23 -3.74 117.00 117.15 1nu1 n LEU 113 Ca 0.15 -0.06 0.03 0.00 -0.02 0.00 0.00 56.01 56.11 1nu1 n LEU 113 Cb 0.06 -0.16 0.16 0.00 -1.62 0.00 0.00 43.42 41.86 1nu1 n LEU 113 CO 0.47 0.11 1.12 0.77 -1.22 0.00 0.00 177.39 178.63 1nu1 h SER 114 N 0.73 0.61 0.00 -1.43 4.64 -1.88 -3.23 113.55 112.99 1nu1 h SER 114 Ca 0.00 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1nu1 h SER 114 Cb 0.38 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1nu1 h SER 114 CO 0.00 0.34 0.00 0.00 -0.87 0.00 0.00 176.83 176.30 1nu1 n TYR 115 N -4.79 0.00 -0.08 4.77 0.18 -1.25 -2.81 117.16 113.18 1nu1 n TYR 115 Ca 0.13 -0.45 -0.07 0.00 1.88 0.00 0.00 57.90 59.39 1nu1 n TYR 115 Cb 0.29 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.21 1nu1 n TYR 115 CO 0.00 0.00 0.00 0.82 -2.08 0.00 0.00 176.86 175.60 1nu1 h ILE 116 N 0.18 0.86 -1.00 -3.48 1.08 -1.64 -2.25 117.51 111.26 1nu1 h ILE 116 Ca 0.00 -0.06 0.15 0.00 -0.39 0.00 0.00 64.86 64.56 1nu1 h ILE 116 Cb 0.51 0.66 -0.09 0.00 -3.07 0.00 0.00 36.82 34.83 1nu1 h ILE 116 CO 0.00 0.03 0.62 0.58 -0.69 0.00 0.00 178.15 178.70 1nu1 h VAL 117 N 0.18 0.82 -0.00 1.67 2.07 -1.84 -0.91 116.25 118.24 1nu1 h VAL 117 Ca 0.14 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1nu1 h VAL 117 Cb 0.15 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1nu1 h VAL 117 CO -0.18 0.16 -0.33 0.54 0.02 0.00 0.00 177.57 177.78 1nu1 n ARG 118 N -4.68 0.48 -0.03 1.57 1.74 -1.13 -3.84 116.66 110.78 1nu1 n ARG 118 Ca 0.21 -0.27 0.11 0.00 -0.77 0.00 0.00 57.85 57.13 1nu1 n ARG 118 Cb 0.45 -1.49 0.11 0.00 -1.02 0.00 0.00 32.46 30.51 1nu1 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nu1 n ALA 119 N -1.02 2.45 -0.68 7.54 0.00 -0.38 -4.82 120.51 123.60 1nu1 n ALA 119 Ca 0.10 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1nu1 n ALA 119 Cb 0.34 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1nu1 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nu1 n ARG 120 N 1.27 0.00 0.00 0.00 5.12 -1.00 -5.05 116.66 117.01 1nu1 n ARG 120 Ca 0.14 0.07 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1nu1 n ARG 120 Cb 0.56 -0.37 0.00 0.00 -1.16 0.00 0.00 32.46 31.49 1nu1 n ARG 120 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1nu1 n HIS 121 N -1.46 0.00 0.00 -1.55 8.25 -1.26 -5.09 115.22 114.11 1nu1 n HIS 121 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1nu1 n HIS 121 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1nu1 n HIS 121 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nu1 n GLY 122 N 0.00 2.01 0.00 -1.41 0.00 -1.26 -4.73 105.19 99.80 1nu1 n GLY 122 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1nu1 n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nu1 n GLY 123 N 2.49 0.10 0.15 -0.02 0.00 -1.26 -4.32 105.19 102.33 1nu1 n GLY 123 Ca 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 45.99 1nu1 n GLY 123 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nu1 h GLU 124 N 0.00 0.00 -0.74 1.61 3.07 -1.94 -3.27 114.58 113.32 1nu1 h GLU 124 Ca 0.00 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.97 1nu1 h GLU 124 Cb 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.79 1nu1 h GLU 124 CO 0.00 0.53 -0.43 -0.44 -1.40 0.00 0.00 179.01 177.27 1nu1 h ASP 125 N 0.00 -1.52 -0.10 1.42 3.45 -1.92 1.65 116.42 119.40 1nu1 h ASP 125 Ca -0.01 0.27 0.04 0.00 0.43 0.00 0.00 57.03 57.76 1nu1 h ASP 125 Cb 1.24 0.72 -0.04 0.00 -0.56 0.00 0.00 39.33 40.69 1nu1 h ASP 125 CO 0.07 -0.31 -0.16 0.22 -1.57 0.00 0.00 179.24 177.49 1nu1 h TYR 126 N -0.13 -0.41 0.29 4.55 3.20 -1.75 0.38 116.97 123.10 1nu1 h TYR 126 Ca 0.23 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1nu1 h TYR 126 Cb 0.55 0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.02 1nu1 h TYR 126 CO -0.78 -0.23 -0.14 0.28 -1.64 0.00 0.00 178.16 175.65 1nu1 h VAL 127 N -0.21 0.75 -0.46 1.81 2.07 -1.20 0.38 116.25 119.39 1nu1 h VAL 127 Ca 0.08 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.42 1nu1 h VAL 127 Cb 0.33 0.90 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 1nu1 h VAL 127 CO -0.22 0.06 -0.43 0.15 0.02 0.00 0.00 177.57 177.14 1nu1 h PHE 128 N -0.52 -1.25 0.00 1.57 3.57 0.25 0.98 116.94 121.55 1nu1 h PHE 128 Ca -0.04 0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1nu1 h PHE 128 Cb 0.39 0.61 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1nu1 h PHE 128 CO -0.02 -0.43 -0.18 0.77 -2.23 0.00 0.00 178.31 176.22 1nu1 h SER 129 N -0.29 0.00 -0.00 0.41 0.02 -0.04 0.16 113.55 113.81 1nu1 h SER 129 Ca 0.15 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1nu1 h SER 129 Cb 0.58 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 1nu1 h SER 129 CO -0.61 0.18 -0.00 0.25 -1.14 0.00 0.00 176.83 175.51 1nu1 h LEU 130 N 0.00 0.00 -0.27 5.07 5.85 0.20 0.15 115.31 126.31 1nu1 h LEU 130 Ca -0.00 -0.55 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 1nu1 h LEU 130 Cb 0.40 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1nu1 h LEU 130 CO 0.02 0.55 0.06 -0.07 -0.34 0.00 0.00 178.44 178.66 1nu1 h LEU 131 N -0.54 0.41 0.00 2.25 3.38 -0.76 -3.30 115.31 116.74 1nu1 h LEU 131 Ca 0.00 -0.24 -0.20 0.00 0.09 0.00 0.00 57.88 57.53 1nu1 h LEU 131 Cb 0.55 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1nu1 h LEU 131 CO 0.00 0.54 -1.01 0.00 0.09 0.00 0.00 178.44 178.06 1nu1 h THR 132 N 0.26 1.40 -0.68 0.22 1.03 -0.77 -3.37 112.91 111.00 1nu1 h THR 132 Ca 0.08 -3.05 -0.38 0.00 -0.01 0.00 0.00 66.41 63.06 1nu1 h THR 132 Cb 0.30 2.68 -0.21 0.00 -1.07 0.00 0.00 68.15 69.85 1nu1 h THR 132 CO 0.00 0.80 0.48 0.61 -0.01 0.00 0.00 175.52 177.40 1nu1 n GLY 133 N 1.35 3.95 3.71 2.99 0.00 0.51 -4.97 105.19 112.73 1nu1 n GLY 133 Ca -0.02 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1nu1 n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nu1 s TYR 134 N -2.32 2.77 0.27 1.61 1.51 -1.26 -4.56 117.35 115.38 1nu1 s TYR 134 Ca 0.40 0.36 0.03 0.00 -1.01 0.00 0.00 57.07 56.85 1nu1 s TYR 134 Cb 0.33 -4.07 -0.01 0.00 -0.11 0.00 0.00 41.96 38.10 1nu1 s TYR 134 CO 0.06 -4.10 0.11 0.00 -1.11 0.00 0.00 175.55 170.51 1nu1 s GLU 136 N -3.04 3.89 -0.09 0.00 8.01 -1.26 -4.63 118.70 121.58 1nu1 s GLU 136 Ca 0.16 -0.39 -0.37 0.00 0.01 0.00 0.00 54.97 54.39 1nu1 s GLU 136 Cb 0.01 -3.21 -0.15 0.00 -4.31 0.00 0.00 34.13 26.47 1nu1 s GLU 136 CO 0.11 0.18 1.66 -2.30 0.01 0.00 0.00 175.26 174.93 1nu1 n PRO 137 N 3.81 1.55 -1.26 0.39 -0.02 -1.26 -4.96 135.00 133.25 1nu1 n PRO 137 Ca -0.16 0.57 -0.29 0.00 -2.02 0.00 0.00 63.50 61.59 1nu1 n PRO 137 Cb 0.52 -2.29 0.16 0.00 -0.02 0.00 0.00 33.50 31.87 1nu1 n PRO 137 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1nu1 s PRO 138 N 2.61 0.66 0.76 0.52 0.02 -1.26 -5.01 135.00 133.30 1nu1 s PRO 138 Ca 0.91 0.49 -0.15 0.00 0.02 0.00 0.00 61.00 62.27 1nu1 s PRO 138 Cb -0.89 -1.77 -0.01 0.00 0.02 0.00 0.00 34.50 31.85 1nu1 s PRO 138 CO 0.54 -2.57 0.70 0.25 -0.33 0.00 0.00 177.00 175.59 1nu1 n THR 139 N -4.06 1.86 0.00 0.99 -2.24 -1.26 -3.32 114.28 106.25 1nu1 n THR 139 Ca 0.06 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1nu1 n THR 139 Cb 0.57 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 1nu1 n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nu1 n GLY 140 N 1.37 0.91 3.40 3.38 0.00 -1.26 -4.95 105.19 108.04 1nu1 n GLY 140 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1nu1 n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nu1 s VAL 141 N -1.49 3.21 -0.01 1.61 1.01 -1.21 -5.11 120.40 118.41 1nu1 s VAL 141 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1nu1 s VAL 141 Cb 0.00 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1nu1 s VAL 141 CO 0.00 0.52 -0.09 -0.94 0.00 0.00 0.00 175.10 174.59 1nu1 s SER 142 N 0.29 4.42 0.00 3.32 1.04 -1.26 -4.81 113.70 116.70 1nu1 s SER 142 Ca -0.09 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.17 1nu1 s SER 142 Cb -0.15 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 64.98 1nu1 s SER 142 CO 0.05 0.30 0.00 0.18 0.98 0.00 0.00 173.24 174.75 1nu1 n LEU 143 N 1.77 0.00 -1.22 2.42 4.77 -1.26 -5.05 117.00 118.43 1nu1 n LEU 143 Ca -0.16 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.86 1nu1 n LEU 143 Cb 0.52 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.68 1nu1 n LEU 143 CO 0.29 0.00 0.15 0.54 -1.33 0.00 0.00 177.39 177.04 1nu1 n ARG 144 N 0.00 0.42 -3.69 3.23 1.74 -1.26 -5.00 116.66 112.10 1nu1 n ARG 144 Ca 0.00 -2.30 -0.26 0.00 -0.77 0.00 0.00 57.85 54.52 1nu1 n ARG 144 Cb 0.00 -0.45 -0.05 0.00 -1.02 0.00 0.00 32.46 30.94 1nu1 n ARG 144 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1nu1 n GLU 145 N 0.04 -1.54 0.00 5.56 2.13 -1.26 -4.16 120.64 121.41 1nu1 n GLU 145 Ca 0.09 0.08 0.00 0.00 0.66 0.00 0.00 57.16 58.00 1nu1 n GLU 145 Cb 1.01 -4.47 0.00 0.00 0.27 0.00 0.00 31.44 28.25 1nu1 n GLU 145 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nu1 n GLY 146 N -0.83 0.04 3.19 8.31 0.00 -1.26 -4.95 105.19 109.69 1nu1 n GLY 146 Ca 0.07 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1nu1 n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nu1 n LEU 147 N -0.66 5.87 -4.39 0.99 4.77 -1.26 -4.32 117.00 118.01 1nu1 n LEU 147 Ca 0.00 -4.50 -0.33 0.00 -0.03 0.00 0.00 56.01 51.15 1nu1 n LEU 147 Cb 0.00 -1.57 0.12 0.00 -2.33 0.00 0.00 43.42 39.64 1nu1 n LEU 147 CO 0.00 0.99 -0.16 -1.22 -1.33 0.00 0.00 177.39 175.67 1nu1 n TYR 148 N 5.02 -1.63 -3.64 -1.77 4.01 0.39 -4.46 117.16 115.08 1nu1 n TYR 148 Ca 0.39 0.22 -0.36 0.00 -0.16 0.00 0.00 57.90 57.98 1nu1 n TYR 148 Cb 0.40 -1.76 -0.07 0.00 -0.31 0.00 0.00 39.34 37.60 1nu1 n TYR 148 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1nu1 s PHE 149 N -2.37 3.52 -0.08 -0.72 5.36 -1.26 -2.73 117.98 119.69 1nu1 s PHE 149 Ca 0.56 0.58 -0.04 0.00 -0.96 0.00 0.00 56.93 57.08 1nu1 s PHE 149 Cb -0.21 -2.21 0.04 0.00 -0.34 0.00 0.00 43.02 40.31 1nu1 s PHE 149 CO 0.68 0.41 0.18 1.21 -1.46 0.00 0.00 175.22 176.25 1nu1 s ASN 150 N -0.09 0.08 0.17 6.13 3.84 -1.10 -4.06 114.94 119.90 1nu1 s ASN 150 Ca 0.16 0.39 0.04 0.00 0.21 0.00 0.00 52.86 53.65 1nu1 s ASN 150 Cb -0.13 0.30 -0.01 0.00 -0.55 0.00 0.00 41.25 40.87 1nu1 s ASN 150 CO 0.04 -0.18 1.38 -0.65 -2.79 0.00 0.00 177.10 174.90 1nu1 h PRO 151 N 7.57 0.13 -2.10 0.43 0.11 -1.87 -3.31 132.00 132.96 1nu1 h PRO 151 Ca -0.34 -0.15 -0.40 0.00 0.11 0.00 0.00 66.00 65.23 1nu1 h PRO 151 Cb 1.14 0.04 -0.12 0.00 0.11 0.00 0.00 31.00 32.17 1nu1 h PRO 151 CO 0.33 0.93 0.41 0.66 -0.21 0.00 0.00 178.00 180.11 1nu1 n TYR 152 N -3.61 1.04 -3.69 0.65 4.01 -1.26 -4.64 117.16 109.66 1nu1 n TYR 152 Ca -0.03 -1.88 -0.11 0.00 -0.16 0.00 0.00 57.90 55.72 1nu1 n TYR 152 Cb 0.82 -1.57 -0.09 0.00 -0.31 0.00 0.00 39.34 38.18 1nu1 n TYR 152 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1nu1 s PHE 153 N -0.30 -0.68 -0.68 -0.72 5.36 -1.24 -4.73 117.98 114.98 1nu1 s PHE 153 Ca 0.63 1.49 -0.32 0.00 -0.96 0.00 0.00 56.93 57.77 1nu1 s PHE 153 Cb 0.33 0.32 -0.15 0.00 -0.34 0.00 0.00 43.02 43.17 1nu1 s PHE 153 CO -0.11 -0.35 2.47 -2.30 -1.46 0.00 0.00 175.22 173.46 1nu1 n PRO 154 N 3.76 0.52 0.00 10.12 -0.02 -1.26 -0.10 135.00 148.01 1nu1 n PRO 154 Ca -0.19 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1nu1 n PRO 154 Cb 0.56 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1nu1 n PRO 154 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nu1 n GLY 155 N 6.46 3.07 3.22 -1.23 0.00 -1.26 -4.38 105.19 111.07 1nu1 n GLY 155 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1nu1 n GLY 155 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nu1 n GLN 156 N -0.35 -0.02 -3.24 1.61 6.02 0.85 -0.99 117.38 121.26 1nu1 n GLN 156 Ca 0.00 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 1nu1 n GLN 156 Cb 0.00 -3.04 -0.01 0.00 1.02 0.00 0.00 30.24 28.21 1nu1 n GLN 156 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nu1 n ALA 157 N 1.00 4.57 -2.61 -1.58 0.00 -1.26 -2.72 120.51 117.91 1nu1 n ALA 157 Ca 0.00 -4.73 -0.32 0.00 0.00 0.00 0.00 53.44 48.40 1nu1 n ALA 157 Cb 0.01 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.18 1nu1 n ALA 157 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1nu1 s ILE 158 N -2.01 5.11 -0.25 0.00 -4.36 -1.10 -4.94 121.20 113.64 1nu1 s ILE 158 Ca 0.31 0.16 0.15 0.00 -0.26 0.00 0.00 60.65 61.01 1nu1 s ILE 158 Cb -0.02 -3.62 0.76 0.00 1.25 0.00 0.00 42.46 40.82 1nu1 s ILE 158 CO -0.00 0.03 1.68 0.61 0.24 0.00 0.00 174.94 177.50 1nu1 n GLY 159 N 0.10 3.23 3.37 6.27 0.00 -1.26 -0.46 105.19 116.43 1nu1 n GLY 159 Ca -0.02 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.69 1nu1 n GLY 159 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1nu1 s MET 160 N -2.76 3.46 0.30 1.61 -2.45 -1.26 -4.82 119.30 113.38 1nu1 s MET 160 Ca 0.52 -0.59 -0.29 0.00 -1.25 0.00 0.00 55.69 54.08 1nu1 s MET 160 Cb 0.40 -3.17 -0.10 0.00 1.25 0.00 0.00 34.83 33.21 1nu1 s MET 160 CO 0.15 -0.22 1.25 0.00 1.05 0.00 0.00 175.02 177.24 1nu1 s ALA 161 N 1.53 3.47 -1.13 4.11 0.00 -1.26 -4.79 121.76 123.70 1nu1 s ALA 161 Ca 0.06 1.14 -0.22 0.00 0.00 0.00 0.00 51.96 52.93 1nu1 s ALA 161 Cb -0.15 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 1nu1 s ALA 161 CO -0.00 -0.49 1.85 -2.14 0.00 0.00 0.00 175.76 174.98 1nu1 s PRO 162 N -1.50 2.92 -0.94 0.00 0.02 -1.26 -4.90 135.00 129.34 1nu1 s PRO 162 Ca 0.48 -1.16 -0.02 0.00 0.02 0.00 0.00 61.00 60.33 1nu1 s PRO 162 Cb -0.37 -5.28 0.30 0.00 0.02 0.00 0.00 34.50 29.17 1nu1 s PRO 162 CO 0.48 -3.33 2.00 -0.35 -0.33 0.00 0.00 177.00 175.47 1nu1 n PRO 163 N 8.48 4.15 -0.00 5.54 -0.05 -1.26 -4.49 135.00 147.37 1nu1 n PRO 163 Ca 0.44 -4.00 0.04 0.00 -0.05 0.00 0.00 63.50 59.93 1nu1 n PRO 163 Cb 0.47 -2.38 -0.06 0.00 -0.05 0.00 0.00 33.50 31.48 1nu1 n PRO 163 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 1nu1 n ILE 164 N -0.07 0.00 1.00 0.52 5.41 -1.26 -4.60 119.36 120.36 1nu1 n ILE 164 Ca 0.51 -0.26 0.11 0.00 1.00 0.00 0.00 62.75 64.11 1nu1 n ILE 164 Cb 0.26 0.75 -0.02 0.00 -0.71 0.00 0.00 39.64 39.92 1nu1 n ILE 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nu1 n TYR 165 N -1.43 0.00 -1.37 1.39 9.36 -1.26 -4.39 117.16 119.47 1nu1 n TYR 165 Ca 0.01 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.93 1nu1 n TYR 165 Cb 0.18 -0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.79 1nu1 n TYR 165 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1nu1 n ASN 166 N -0.38 1.88 -4.55 2.98 5.03 -1.26 -4.80 115.26 114.15 1nu1 n ASN 166 Ca 0.08 -2.58 -0.34 0.00 0.87 0.00 0.00 54.58 52.62 1nu1 n ASN 166 Cb 0.44 -1.34 -0.04 0.00 -1.02 0.00 0.00 39.78 37.82 1nu1 n ASN 166 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1nu1 s GLU 167 N 7.08 2.24 0.00 3.52 2.12 -1.26 -4.93 118.70 127.46 1nu1 s GLU 167 Ca 0.71 0.95 0.00 0.00 0.36 0.00 0.00 54.97 57.00 1nu1 s GLU 167 Cb 0.04 -4.57 0.00 0.00 0.26 0.00 0.00 34.13 29.86 1nu1 s GLU 167 CO 0.20 -3.24 0.00 0.28 -0.54 0.00 0.00 175.26 171.96 1nu1 n VAL 168 N 7.82 0.00 0.00 3.70 0.31 -1.26 -5.11 118.33 123.80 1nu1 n VAL 168 Ca 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 1nu1 n VAL 168 Cb 0.52 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.12 1nu1 n VAL 168 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1nu1 n LEU 169 N 0.00 0.00 -2.68 7.52 4.32 -1.26 -4.87 117.00 120.03 1nu1 n LEU 169 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 1nu1 n LEU 169 Cb 0.00 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.82 1nu1 n LEU 169 CO 0.00 0.00 -0.06 1.21 -1.22 0.00 0.00 177.39 177.32 1nu1 n GLU 170 N -0.90 1.65 -0.22 3.23 2.13 -1.26 -5.00 120.64 120.27 1nu1 n GLU 170 Ca 0.00 -3.56 -0.04 0.00 0.66 0.00 0.00 57.16 54.22 1nu1 n GLU 170 Cb 0.00 -1.51 -0.02 0.00 0.27 0.00 0.00 31.44 30.17 1nu1 n GLU 170 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1nu1 n PHE 171 N -0.12 0.18 0.00 4.31 3.01 -1.26 -4.82 117.46 118.75 1nu1 n PHE 171 Ca 0.17 -0.56 0.00 0.00 1.01 0.00 0.00 57.45 58.07 1nu1 n PHE 171 Cb 0.76 -0.76 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1nu1 n PHE 171 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1nu1 n ASP 172 N 3.58 0.00 -0.23 4.37 2.03 -1.26 0.34 116.55 125.38 1nu1 n ASP 172 Ca 0.11 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.39 1nu1 n ASP 172 Cb 0.13 0.00 0.15 0.00 -0.72 0.00 0.00 41.12 40.68 1nu1 n ASP 172 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1nu1 h ASP 173 N 0.00 0.94 0.00 1.67 1.82 -2.05 -3.47 116.42 115.33 1nu1 h ASP 173 Ca 0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1nu1 h ASP 173 Cb 0.00 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.77 1nu1 h ASP 173 CO 0.00 0.81 0.00 0.61 -1.61 0.00 0.00 179.24 179.05 1nu1 n GLY 174 N -1.04 2.23 2.95 -0.78 0.00 1.05 -5.17 105.19 104.43 1nu1 n GLY 174 Ca 0.07 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 1nu1 n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nu1 s THR 175 N 0.00 0.57 -0.18 2.61 -4.23 -1.25 -5.09 115.64 108.07 1nu1 s THR 175 Ca 0.00 -0.22 -0.32 0.00 -1.18 0.00 0.00 61.69 59.97 1nu1 s THR 175 Cb 0.00 -0.53 -0.09 0.00 1.34 0.00 0.00 72.50 73.22 1nu1 s THR 175 CO 0.00 0.20 2.09 -2.65 -0.54 0.00 0.00 174.62 173.71 1nu1 n PRO 176 N 3.47 1.93 -1.40 3.99 -0.02 -1.26 -4.88 135.00 136.83 1nu1 n PRO 176 Ca -0.19 0.62 -0.27 0.00 -2.02 0.00 0.00 63.50 61.63 1nu1 n PRO 176 Cb 0.54 -2.86 -0.08 0.00 -0.02 0.00 0.00 33.50 31.08 1nu1 n PRO 176 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nu1 n ALA 177 N 9.29 6.73 -1.46 3.55 0.00 -1.26 -4.75 120.51 132.61 1nu1 n ALA 177 Ca 0.29 -2.97 -0.29 0.00 0.00 0.00 0.00 53.44 50.47 1nu1 n ALA 177 Cb 0.35 -2.57 0.13 0.00 0.00 0.00 0.00 19.45 17.35 1nu1 n ALA 177 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nu1 s THR 178 N -0.14 2.44 0.22 0.00 -4.23 -1.26 -4.69 115.64 107.98 1nu1 s THR 178 Ca 0.63 0.14 -0.08 0.00 -1.18 0.00 0.00 61.69 61.20 1nu1 s THR 178 Cb 0.28 -2.83 0.16 0.00 1.34 0.00 0.00 72.50 71.45 1nu1 s THR 178 CO -0.10 -0.19 1.77 0.24 -0.54 0.00 0.00 174.62 175.81 1nu1 h MET 179 N -1.41 0.53 0.31 3.99 2.86 -1.94 -1.59 114.93 117.68 1nu1 h MET 179 Ca -0.50 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.10 1nu1 h MET 179 Cb 1.31 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.85 1nu1 h MET 179 CO 0.60 0.35 -0.15 0.77 1.06 0.00 0.00 176.91 179.54 1nu1 h SER 180 N 0.55 -0.35 -1.15 1.22 0.02 -1.93 -2.63 113.55 109.27 1nu1 h SER 180 Ca 0.33 0.01 0.33 0.00 -0.84 0.00 0.00 61.79 61.62 1nu1 h SER 180 Cb 0.35 0.09 -0.09 0.00 0.14 0.00 0.00 62.40 62.90 1nu1 h SER 180 CO -0.27 0.03 0.77 -0.61 -1.14 0.00 0.00 176.83 175.61 1nu1 h GLN 181 N -0.97 0.21 0.00 3.45 -0.00 -1.89 0.54 115.11 116.45 1nu1 h GLN 181 Ca -0.04 -0.01 -0.17 0.00 -0.00 0.00 0.00 58.65 58.42 1nu1 h GLN 181 Cb 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 27.48 27.73 1nu1 h GLN 181 CO 0.07 0.14 -0.81 -0.24 0.00 0.00 0.00 178.83 177.98 1nu1 h VAL 182 N 0.21 1.56 -0.16 2.39 3.04 -1.36 -3.16 116.25 118.78 1nu1 h VAL 182 Ca 0.63 -2.72 -0.15 0.00 -1.01 0.00 0.00 66.70 63.45 1nu1 h VAL 182 Cb 1.97 2.47 0.00 0.00 -2.01 0.00 0.00 31.29 33.73 1nu1 h VAL 182 CO -0.22 0.78 -0.50 0.00 -1.01 0.00 0.00 177.57 176.62 1nu1 h ALA 183 N 1.16 0.28 -1.00 3.17 0.00 0.45 -2.39 119.26 120.91 1nu1 h ALA 183 Ca -0.01 -0.50 0.07 0.00 0.00 0.00 0.00 54.91 54.47 1nu1 h ALA 183 Cb 1.43 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1nu1 h ALA 183 CO 0.11 0.45 0.65 -0.22 0.00 0.00 0.00 179.25 180.24 1nu1 h LYS 184 N 0.28 1.12 -0.28 0.00 3.64 -1.48 -0.63 116.57 119.22 1nu1 h LYS 184 Ca -0.02 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.15 1nu1 h LYS 184 Cb 1.12 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 1nu1 h LYS 184 CO 0.11 0.74 -0.41 -0.44 -2.27 0.00 0.00 179.45 177.17 1nu1 h ASP 185 N 1.15 0.72 0.37 4.20 5.19 -1.49 -0.10 116.42 126.46 1nu1 h ASP 185 Ca 0.44 -0.33 -0.26 0.00 -0.62 0.00 0.00 57.03 56.26 1nu1 h ASP 185 Cb 0.21 -0.20 0.01 0.00 0.18 0.00 0.00 39.33 39.53 1nu1 h ASP 185 CO -0.18 1.05 -1.13 1.62 -3.12 0.00 0.00 179.24 177.47 1nu1 h VAL 186 N 0.55 1.40 -0.14 -1.35 3.04 -0.85 -2.71 116.25 116.19 1nu1 h VAL 186 Ca 0.04 -2.65 -0.02 0.00 -1.01 0.00 0.00 66.70 63.06 1nu1 h VAL 186 Cb 0.95 2.68 -0.00 0.00 -2.01 0.00 0.00 31.29 32.90 1nu1 h VAL 186 CO 0.09 0.79 -0.01 0.00 -1.01 0.00 0.00 177.57 177.42 1nu1 h THR 188 N -0.03 0.80 -0.33 0.00 2.02 -1.04 0.81 112.91 115.13 1nu1 h THR 188 Ca 0.04 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 66.80 1nu1 h THR 188 Cb 0.40 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1nu1 h THR 188 CO 0.01 0.16 -0.26 0.15 0.37 0.00 0.00 175.52 175.94 1nu1 h PHE 189 N 0.86 0.90 0.00 3.16 3.57 -1.15 -2.62 116.94 121.66 1nu1 h PHE 189 Ca 0.54 -0.25 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 1nu1 h PHE 189 Cb 0.73 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1nu1 h PHE 189 CO -0.00 1.01 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.93 1nu1 h LEU 190 N 0.54 0.00 0.61 0.59 3.38 0.45 0.72 115.31 121.60 1nu1 h LEU 190 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1nu1 h LEU 190 Cb 0.83 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.59 1nu1 h LEU 190 CO 0.07 0.09 -0.29 -0.09 0.09 0.00 0.00 178.44 178.30 1nu1 h ARG 191 N 0.00 -0.79 -0.00 1.13 9.65 0.56 -2.79 114.38 122.14 1nu1 h ARG 191 Ca -0.00 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1nu1 h ARG 191 Cb 0.32 0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 29.08 1nu1 h ARG 191 CO 0.01 -0.53 0.00 2.35 2.80 0.00 0.00 179.97 184.60 1nu1 h TRP 192 N -1.10 0.00 -0.19 2.20 7.01 -1.06 -0.83 115.95 121.99 1nu1 h TRP 192 Ca -0.08 0.00 -0.15 0.00 2.11 0.00 0.00 58.89 60.77 1nu1 h TRP 192 Cb 0.63 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 1nu1 h TRP 192 CO 0.02 0.00 -0.51 0.00 -2.79 0.00 0.00 178.44 175.16 1nu1 h ALA 193 N 2.00 0.76 0.03 2.65 0.00 0.46 -2.60 119.26 122.55 1nu1 h ALA 193 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 54.91 54.13 1nu1 h ALA 193 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1nu1 h ALA 193 CO -0.00 0.68 -1.65 0.00 0.00 0.00 0.00 179.25 178.28 1nu1 h ALA 194 N 1.03 0.64 -2.30 0.00 0.00 -1.08 -3.42 119.26 114.12 1nu1 h ALA 194 Ca 0.02 -1.36 -0.58 0.00 0.00 0.00 0.00 54.91 52.98 1nu1 h ALA 194 Cb 1.03 0.42 -0.38 0.00 0.00 0.00 0.00 17.79 18.87 1nu1 h ALA 194 CO 0.09 1.48 -0.99 -1.91 0.00 0.00 0.00 179.25 177.92 1nu1 n GLU 195 N -3.17 0.25 -0.02 0.00 2.13 -0.39 -4.95 120.64 114.50 1nu1 n GLU 195 Ca -0.17 -3.16 -0.02 0.00 0.66 0.00 0.00 57.16 54.47 1nu1 n GLU 195 Cb 1.04 -1.61 0.23 0.00 0.27 0.00 0.00 31.44 31.37 1nu1 n GLU 195 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1nu1 h PRO 196 N 5.41 0.57 -0.12 5.31 0.11 -1.69 -2.88 132.00 138.70 1nu1 h PRO 196 Ca 0.24 -0.16 0.04 0.00 0.11 0.00 0.00 66.00 66.23 1nu1 h PRO 196 Cb 0.91 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1nu1 h PRO 196 CO 0.38 0.66 0.23 1.05 -0.21 0.00 0.00 178.00 180.11 1nu1 h GLU 197 N 0.53 0.00 -0.13 1.05 9.09 -1.94 -3.36 114.58 119.82 1nu1 h GLU 197 Ca 0.10 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.53 1nu1 h GLU 197 Cb 0.48 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.56 1nu1 h GLU 197 CO 0.03 0.00 -0.05 1.58 0.05 0.00 0.00 179.01 180.61 1nu1 n HIS 198 N -3.40 -0.00 0.04 2.06 -0.00 -1.09 -1.99 115.22 110.83 1nu1 n HIS 198 Ca 0.00 0.16 -0.19 0.00 0.46 0.00 0.00 57.72 58.15 1nu1 n HIS 198 Cb 0.33 -0.54 -0.14 0.00 -0.12 0.00 0.00 29.99 29.52 1nu1 n HIS 198 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1nu1 h ASP 199 N 0.00 0.46 -0.71 0.26 3.32 -1.88 -3.26 116.42 114.62 1nu1 h ASP 199 Ca 0.04 -0.92 0.01 0.00 0.02 0.00 0.00 57.03 56.18 1nu1 h ASP 199 Cb 0.07 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 1nu1 h ASP 199 CO -0.13 1.34 0.47 -0.74 -1.72 0.00 0.00 179.24 178.47 1nu1 h HIS 200 N -0.35 0.88 0.23 4.55 2.76 -1.70 -2.86 115.15 118.66 1nu1 h HIS 200 Ca -0.12 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.05 1nu1 h HIS 200 Cb 1.56 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 30.22 1nu1 h HIS 200 CO 0.19 0.55 -0.11 0.07 -1.30 0.00 0.00 177.93 177.33 1nu1 h ARG 201 N 0.95 -0.30 0.00 5.26 0.11 -1.58 -2.48 114.38 116.34 1nu1 h ARG 201 Ca 0.26 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.36 1nu1 h ARG 201 Cb -0.09 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.06 1nu1 h ARG 201 CO -0.06 -0.06 0.00 1.63 0.10 0.00 0.00 179.97 181.58 1nu1 n LYS 202 N -5.14 0.12 -0.04 0.08 5.02 -1.18 0.04 118.16 117.06 1nu1 n LYS 202 Ca -0.09 0.45 -0.14 0.00 -2.02 0.00 0.00 58.31 56.51 1nu1 n LYS 202 Cb 0.21 -1.78 -0.11 0.00 -0.02 0.00 0.00 35.03 33.33 1nu1 n LYS 202 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1nu1 h ARG 203 N 0.00 0.02 -0.09 1.97 2.43 -1.25 -0.88 114.38 116.58 1nu1 h ARG 203 Ca 0.00 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1nu1 h ARG 203 Cb 0.22 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1nu1 h ARG 203 CO 0.00 0.76 -0.40 0.52 -1.51 0.00 0.00 179.97 179.34 1nu1 h MET 204 N -0.70 0.20 -0.57 0.20 2.86 -0.69 -1.43 114.93 114.80 1nu1 h MET 204 Ca -0.00 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1nu1 h MET 204 Cb 0.77 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 1nu1 h MET 204 CO 0.01 0.57 0.18 0.78 1.06 0.00 0.00 176.91 179.51 1nu1 h GLY 205 N 1.20 0.91 1.40 8.32 0.00 -0.39 0.82 103.07 115.33 1nu1 h GLY 205 Ca 0.02 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1nu1 h GLY 205 CO 0.06 0.46 0.38 -2.00 0.00 0.00 0.00 176.54 175.45 1nu1 h LEU 206 N 0.82 0.64 0.19 3.11 5.85 -0.04 0.36 115.31 126.24 1nu1 h LEU 206 Ca 0.19 -0.01 -0.28 0.00 0.84 0.00 0.00 57.88 58.61 1nu1 h LEU 206 Cb 0.23 -0.16 0.02 0.00 0.37 0.00 0.00 40.66 41.13 1nu1 h LEU 206 CO -0.01 0.46 -1.29 0.11 -0.34 0.00 0.00 178.44 177.36 1nu1 h LYS 207 N 0.75 0.39 -0.99 1.25 1.57 -0.93 -1.36 116.57 117.25 1nu1 h LYS 207 Ca 0.22 -0.67 0.07 0.00 -1.87 0.00 0.00 60.65 58.39 1nu1 h LYS 207 Cb -0.04 0.25 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 1nu1 h LYS 207 CO -0.05 1.32 0.63 1.98 -0.57 0.00 0.00 179.45 182.77 1nu1 h MET 208 N -0.10 1.10 0.00 3.15 4.05 0.90 2.76 114.93 126.79 1nu1 h MET 208 Ca -0.24 -0.07 -0.13 0.00 -0.28 0.00 0.00 59.70 58.98 1nu1 h MET 208 Cb 1.92 -0.25 -0.02 0.00 -0.80 0.00 0.00 31.60 32.45 1nu1 h MET 208 CO 0.19 0.73 -0.63 -0.07 0.23 0.00 0.00 176.91 177.36 1nu1 h LEU 209 N 1.14 0.00 0.06 3.39 3.38 -0.35 -3.04 115.31 119.88 1nu1 h LEU 209 Ca 0.43 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.26 1nu1 h LEU 209 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1nu1 h LEU 209 CO -0.18 0.63 -0.71 -0.07 0.09 0.00 0.00 178.44 178.19 1nu1 h LEU 210 N 0.00 0.21 -0.84 1.67 3.38 0.37 -3.16 115.31 116.94 1nu1 h LEU 210 Ca -0.01 -0.88 0.03 0.00 0.09 0.00 0.00 57.88 57.11 1nu1 h LEU 210 Cb 1.19 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 1nu1 h LEU 210 CO 0.08 1.31 0.54 0.24 0.09 0.00 0.00 178.44 180.71 1nu1 h MET 211 N -0.69 1.03 -0.38 1.13 2.86 0.46 -2.35 114.93 116.99 1nu1 h MET 211 Ca -0.16 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1nu1 h MET 211 Cb 1.38 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 1nu1 h MET 211 CO 0.02 0.68 0.22 1.98 1.06 0.00 0.00 176.91 180.87 1nu1 h MET 212 N 1.06 0.52 0.00 1.72 -1.53 -1.68 0.64 114.93 115.66 1nu1 h MET 212 Ca 0.33 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.54 1nu1 h MET 212 Cb -0.01 -0.11 0.00 0.00 -0.55 0.00 0.00 31.60 30.93 1nu1 h MET 212 CO -0.11 0.40 0.00 0.41 0.14 0.00 0.00 176.91 177.75 1nu1 n GLY 213 N -1.05 -0.73 0.14 1.39 0.00 -0.91 -0.77 105.19 103.26 1nu1 n GLY 213 Ca -0.00 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1nu1 n GLY 213 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nu1 n LEU 214 N -1.45 2.17 0.18 0.99 7.94 -0.53 -4.60 117.00 121.70 1nu1 n LEU 214 Ca 0.02 0.25 -0.12 0.00 -1.11 0.00 0.00 56.01 55.05 1nu1 n LEU 214 Cb 0.09 -0.85 -0.07 0.00 0.53 0.00 0.00 43.42 43.11 1nu1 n LEU 214 CO 0.07 0.64 0.44 -0.07 -1.11 0.00 0.00 177.39 177.36 1nu1 h LEU 215 N -0.78 -0.41 -0.97 -1.96 3.38 -0.12 -3.15 115.31 111.31 1nu1 h LEU 215 Ca -0.66 -0.15 0.22 0.00 0.09 0.00 0.00 57.88 57.38 1nu1 h LEU 215 Cb 1.67 0.11 -0.18 0.00 0.09 0.00 0.00 40.66 42.34 1nu1 h LEU 215 CO -0.34 0.00 -0.16 -0.07 0.09 0.00 0.00 178.44 177.97 1nu1 h LEU 216 N -0.92 -0.77 0.58 1.67 3.38 -1.20 0.65 115.31 118.70 1nu1 h LEU 216 Ca -0.05 0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1nu1 h LEU 216 Cb 0.53 0.56 0.01 0.00 0.09 0.00 0.00 40.66 41.85 1nu1 h LEU 216 CO 0.08 -0.33 -0.28 -0.65 0.09 0.00 0.00 178.44 177.35 1nu1 h PRO 217 N 0.00 -0.75 -0.75 1.13 0.11 -1.77 -1.62 132.00 128.35 1nu1 h PRO 217 Ca 0.50 0.05 0.15 0.00 0.11 0.00 0.00 66.00 66.82 1nu1 h PRO 217 Cb 0.86 0.17 -0.14 0.00 0.11 0.00 0.00 31.00 32.00 1nu1 h PRO 217 CO -0.97 -0.44 -0.17 -0.07 -0.21 0.00 0.00 178.00 176.13 1nu1 h LEU 218 N -1.01 -0.67 -1.19 2.35 3.38 -1.20 0.27 115.31 117.25 1nu1 h LEU 218 Ca -0.08 0.22 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1nu1 h LEU 218 Cb 0.66 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1nu1 h LEU 218 CO 0.13 -0.24 -0.15 0.58 0.09 0.00 0.00 178.44 178.85 1nu1 h VAL 219 N 0.01 1.22 -0.12 1.22 2.07 0.23 0.28 116.25 121.15 1nu1 h VAL 219 Ca 0.36 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1nu1 h VAL 219 Cb 0.56 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1nu1 h VAL 219 CO -0.76 0.31 0.05 0.22 0.02 0.00 0.00 177.57 177.41 1nu1 h TYR 220 N 0.36 0.18 -0.93 1.57 3.20 0.17 -2.07 116.97 119.46 1nu1 h TYR 220 Ca 0.07 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.98 1nu1 h TYR 220 Cb 0.47 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.63 1nu1 h TYR 220 CO 0.01 0.26 0.60 0.00 -1.64 0.00 0.00 178.16 177.39 1nu1 h ALA 221 N 0.91 1.27 -0.06 1.82 0.00 0.22 0.77 119.26 124.19 1nu1 h ALA 221 Ca 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1nu1 h ALA 221 Cb 0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1nu1 h ALA 221 CO -0.00 0.41 -0.09 0.52 0.00 0.00 0.00 179.25 180.09 1nu1 h MET 222 N 1.12 -0.13 -0.24 0.00 2.86 -0.13 -0.94 114.93 117.48 1nu1 h MET 222 Ca 0.39 0.01 -0.18 0.00 -2.06 0.00 0.00 59.70 57.86 1nu1 h MET 222 Cb 0.10 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1nu1 h MET 222 CO -0.15 -0.08 -0.55 1.57 1.06 0.00 0.00 176.91 178.76 1nu1 h LYS 223 N -0.13 0.74 -0.08 1.72 5.09 -0.93 -2.46 116.57 120.52 1nu1 h LYS 223 Ca 0.05 -0.47 0.04 0.00 0.09 0.00 0.00 60.65 60.36 1nu1 h LYS 223 Cb 0.21 0.06 -0.04 0.00 0.10 0.00 0.00 32.23 32.55 1nu1 h LYS 223 CO -0.13 1.09 -0.17 0.00 -2.09 0.00 0.00 179.45 178.15 1nu1 h ARG 224 N 0.57 -0.23 -0.49 0.07 2.47 -0.72 0.51 114.38 116.56 1nu1 h ARG 224 Ca 0.01 0.02 0.10 0.00 -1.26 0.00 0.00 59.98 58.84 1nu1 h ARG 224 Cb 1.13 0.05 -0.10 0.00 -1.65 0.00 0.00 29.97 29.40 1nu1 h ARG 224 CO 0.11 -0.15 -0.23 1.25 0.56 0.00 0.00 179.97 181.52 1nu1 h HIS 225 N -0.24 -0.58 -0.04 3.04 2.76 -0.97 0.36 115.15 119.49 1nu1 h HIS 225 Ca 0.08 0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 58.18 1nu1 h HIS 225 Cb 0.35 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1nu1 h HIS 225 CO -0.26 -0.31 -0.55 0.87 -1.30 0.00 0.00 177.93 176.38 1nu1 h LYS 226 N -0.12 0.10 -0.00 5.26 1.57 -1.07 -2.81 116.57 119.50 1nu1 h LYS 226 Ca 0.23 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1nu1 h LYS 226 Cb 0.47 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1nu1 h LYS 226 CO -0.56 0.63 -0.10 0.91 -0.57 0.00 0.00 179.45 179.76 1nu1 n TRP 227 N -3.89 0.00 -0.23 -1.35 7.02 0.14 -3.64 117.44 115.48 1nu1 n TRP 227 Ca -0.02 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.48 1nu1 n TRP 227 Cb 0.57 -0.44 0.10 0.00 -2.42 0.00 0.00 31.31 29.12 1nu1 n TRP 227 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1nu1 h SER 228 N 0.01 -0.49 -0.95 -0.99 0.87 -0.05 0.32 113.55 112.26 1nu1 h SER 228 Ca 0.00 0.19 0.17 0.00 -1.23 0.00 0.00 61.79 60.92 1nu1 h SER 228 Cb 0.49 0.37 -0.10 0.00 -0.44 0.00 0.00 62.40 62.72 1nu1 h SER 228 CO 0.00 -0.19 0.56 0.58 -0.53 0.00 0.00 176.83 177.24 1nu1 h VAL 229 N 0.04 0.74 0.00 2.23 2.07 -1.74 -2.44 116.25 117.15 1nu1 h VAL 229 Ca 0.35 -0.26 -0.22 0.00 0.82 0.00 0.00 66.70 67.39 1nu1 h VAL 229 Cb 0.56 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1nu1 h VAL 229 CO -0.66 0.14 -1.09 -0.07 0.02 0.00 0.00 177.57 175.91 1nu1 h LEU 230 N 0.75 0.00 -0.44 2.57 3.38 -0.67 -3.29 115.31 117.60 1nu1 h LEU 230 Ca 0.53 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.33 1nu1 h LEU 230 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1nu1 h LEU 230 CO -0.36 0.96 -0.68 0.11 0.09 0.00 0.00 178.44 178.56 1nu1 h LYS 231 N 0.00 0.44 -0.41 1.13 1.79 -0.64 -3.16 116.57 115.72 1nu1 h LYS 231 Ca -0.06 -0.33 0.00 0.00 -2.18 0.00 0.00 60.65 58.08 1nu1 h LYS 231 Cb 1.78 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.49 1nu1 h LYS 231 CO 0.12 0.96 0.00 -1.13 -1.08 0.00 0.00 179.45 178.31 1nu1 n SER 232 N -3.87 2.50 -4.71 0.86 3.41 -1.00 -4.93 113.62 105.88 1nu1 n SER 232 Ca -0.04 -1.95 -0.42 0.00 -0.26 0.00 0.00 58.87 56.20 1nu1 n SER 232 Cb 0.68 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 1nu1 n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nu1 s ARG 233 N -1.45 4.15 -0.13 4.33 1.70 -1.20 -4.97 118.95 121.37 1nu1 s ARG 233 Ca 0.33 2.54 -0.04 0.00 -0.47 0.00 0.00 55.73 58.09 1nu1 s ARG 233 Cb 0.17 -3.34 -0.03 0.00 -0.57 0.00 0.00 34.95 31.18 1nu1 s ARG 233 CO 0.24 -0.77 0.00 0.15 -1.08 0.00 0.00 175.30 173.84 1nu1 s LYS 234 N 1.93 3.49 0.27 3.89 1.02 -1.26 -5.11 119.74 123.97 1nu1 s LYS 234 Ca 0.76 -0.43 0.06 0.00 0.02 0.00 0.00 55.97 56.39 1nu1 s LYS 234 Cb -0.46 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1nu1 s LYS 234 CO 0.34 0.43 0.31 -0.51 -0.92 0.00 0.00 175.35 175.00 1nu1 s LEU 235 N -0.12 4.00 -0.11 3.17 1.43 -1.26 -5.13 118.68 120.66 1nu1 s LEU 235 Ca 0.04 -0.15 -0.11 0.00 -1.03 0.00 0.00 54.13 52.89 1nu1 s LEU 235 Cb -0.13 -2.59 0.03 0.00 0.03 0.00 0.00 46.19 43.54 1nu1 s LEU 235 CO 0.02 -0.15 0.31 0.00 0.23 0.00 0.00 176.35 176.76 1nu1 s ALA 236 N -2.10 -0.76 -0.21 4.21 0.00 -1.26 -5.15 121.76 116.49 1nu1 s ALA 236 Ca 0.36 0.86 0.02 0.00 0.00 0.00 0.00 51.96 53.20 1nu1 s ALA 236 Cb -0.08 -0.50 0.04 0.00 0.00 0.00 0.00 23.12 22.58 1nu1 s ALA 236 CO 0.28 -0.15 -0.15 -0.47 0.00 0.00 0.00 175.76 175.27 1nu1 s TYR 237 N 0.15 2.90 -0.55 0.00 5.04 -1.26 -5.06 117.35 118.57 1nu1 s TYR 237 Ca -0.00 -1.88 0.06 0.00 -2.44 0.00 0.00 57.07 52.81 1nu1 s TYR 237 Cb -0.02 -1.88 0.24 0.00 0.35 0.00 0.00 41.96 40.64 1nu1 s TYR 237 CO 0.00 -0.82 0.63 0.54 -1.34 0.00 0.00 175.55 174.56 1nu1 n ARG 238 N 4.56 1.75 -2.04 4.97 1.74 -1.26 -5.09 116.66 121.29 1nu1 n ARG 238 Ca -0.18 -4.10 -0.32 0.00 -0.77 0.00 0.00 57.85 52.49 1nu1 n ARG 238 Cb 0.47 -1.88 0.01 0.00 -1.02 0.00 0.00 32.46 30.03 1nu1 n ARG 238 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1nu1 s PRO 239 N -1.83 3.44 0.52 5.56 0.04 -1.26 -4.97 135.00 136.50 1nu1 s PRO 239 Ca 0.37 1.06 -0.23 0.00 0.04 0.00 0.00 61.00 62.24 1nu1 s PRO 239 Cb 0.13 -2.06 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1nu1 s PRO 239 CO -0.07 -0.70 1.36 -2.30 0.04 0.00 0.00 177.00 175.33 1nu1 n PRO 240 N -2.16 1.81 -0.92 0.56 -0.02 -1.26 -5.35 135.00 127.66 1nu1 n PRO 240 Ca 0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1nu1 n PRO 240 Cb 0.53 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 1nu1 n PRO 240 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84