#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fmt s LYS 2 N 0.00 2.83 -0.10 0.03 1.02 -1.26 -5.12 119.74 117.13 3fmt s LYS 2 Ca 0.00 -1.14 -0.01 0.00 0.02 0.00 0.00 55.97 54.84 3fmt s LYS 2 Cb 0.00 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 3fmt s LYS 2 CO 0.00 0.33 -0.06 0.99 -0.92 0.00 0.00 175.35 175.70 3fmt s THR 3 N -2.19 3.78 0.09 2.17 2.01 -1.26 -5.11 115.64 115.12 3fmt s THR 3 Ca 0.34 -0.43 0.04 0.00 0.31 0.00 0.00 61.69 61.96 3fmt s THR 3 Cb -0.07 -2.59 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 3fmt s THR 3 CO 0.25 0.56 -0.11 0.27 -0.69 0.00 0.00 174.62 174.89 3fmt s ILE 4 N -0.32 0.97 0.15 1.82 -4.36 -1.26 -5.15 121.20 113.05 3fmt s ILE 4 Ca 0.05 -1.48 -0.11 0.00 -0.26 0.00 0.00 60.65 58.84 3fmt s ILE 4 Cb -0.12 -1.20 -0.07 0.00 1.25 0.00 0.00 42.46 42.32 3fmt s ILE 4 CO 0.02 -0.43 0.50 -1.61 0.24 0.00 0.00 174.94 173.66 3fmt s GLU 5 N -2.34 3.85 -0.06 0.37 2.02 -1.26 -5.10 118.70 116.18 3fmt s GLU 5 Ca 0.02 0.31 -0.02 0.00 0.02 0.00 0.00 54.97 55.29 3fmt s GLU 5 Cb -0.06 -2.86 0.04 0.00 0.10 0.00 0.00 34.13 31.35 3fmt s GLU 5 CO 0.01 0.45 0.13 0.14 0.02 0.00 0.00 175.26 176.01 3fmt s VAL 6 N -1.57 -0.08 0.39 2.63 -7.23 -1.26 -5.13 120.40 108.15 3fmt s VAL 6 Ca 0.40 0.22 -0.25 0.00 -1.81 0.00 0.00 61.98 60.54 3fmt s VAL 6 Cb -0.13 -0.22 -0.12 0.00 0.56 0.00 0.00 36.38 36.47 3fmt s VAL 6 CO 0.20 0.09 0.92 -0.90 -0.31 0.00 0.00 175.10 175.09 3fmt n ASP 7 N 4.38 0.83 -0.27 4.85 3.85 -1.26 -4.62 116.55 124.31 3fmt n ASP 7 Ca -0.23 1.04 0.24 0.00 -0.71 0.00 0.00 54.79 55.13 3fmt n ASP 7 Cb 0.51 -1.29 0.58 0.00 -1.35 0.00 0.00 41.12 39.57 3fmt n ASP 7 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3fmt h ASP 8 N 1.47 0.30 -0.21 -1.12 5.19 -2.00 -0.84 116.42 119.21 3fmt h ASP 8 Ca -0.42 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.00 3fmt h ASP 8 Cb 1.35 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.85 3fmt h ASP 8 CO 0.56 0.09 0.00 -0.33 -3.12 0.00 0.00 179.24 176.44 3fmt h GLU 9 N 0.28 0.37 -0.59 3.56 5.08 -2.01 -2.78 114.58 118.50 3fmt h GLU 9 Ca 0.52 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.68 3fmt h GLU 9 Cb 1.53 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 3fmt h GLU 9 CO -0.17 0.56 0.04 1.25 -1.00 0.00 0.00 179.01 179.69 3fmt h LEU 10 N 0.14 0.95 -1.20 1.33 5.85 -1.52 -2.55 115.31 118.30 3fmt h LEU 10 Ca 0.06 -0.24 0.13 0.00 0.84 0.00 0.00 57.88 58.67 3fmt h LEU 10 Cb 0.39 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 3fmt h LEU 10 CO 0.01 0.98 0.59 0.22 -0.34 0.00 0.00 178.44 179.90 3fmt h TYR 11 N 0.91 0.93 0.00 1.25 5.03 -1.24 0.28 116.97 124.13 3fmt h TYR 11 Ca 0.18 0.03 -0.11 0.00 2.58 0.00 0.00 58.73 61.41 3fmt h TYR 11 Cb 0.47 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.44 3fmt h TYR 11 CO 0.03 0.37 -0.50 0.77 -1.32 0.00 0.00 178.16 177.51 3fmt h SER 12 N 0.81 0.00 -0.05 -2.11 0.02 -1.20 -2.47 113.55 108.56 3fmt h SER 12 Ca 0.45 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.20 3fmt h SER 12 Cb 0.59 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.14 3fmt h SER 12 CO -0.21 0.50 -0.77 0.22 -1.14 0.00 0.00 176.83 175.43 3fmt h TYR 13 N 0.00 0.86 -0.21 3.45 3.20 -0.17 -2.85 116.97 121.25 3fmt h TYR 13 Ca -0.01 -0.44 -0.17 0.00 3.14 0.00 0.00 58.73 61.26 3fmt h TYR 13 Cb 1.01 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 3fmt h TYR 13 CO 0.00 1.26 -0.55 0.82 -1.64 0.00 0.00 178.16 178.04 3fmt h ILE 14 N 0.22 1.31 -0.41 1.81 2.04 -0.91 -3.19 117.51 118.38 3fmt h ILE 14 Ca -0.08 -1.79 -0.00 0.00 1.00 0.00 0.00 64.86 63.99 3fmt h ILE 14 Cb 1.43 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 39.23 3fmt h ILE 14 CO 0.15 0.56 0.25 0.00 0.00 0.00 0.00 178.15 179.11 3fmt h ALA 15 N 0.89 0.52 0.00 1.87 0.00 -1.50 -2.67 119.26 118.37 3fmt h ALA 15 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fmt h ALA 15 Cb 1.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3fmt h ALA 15 CO 0.11 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.24 3fmt n SER 16 N -4.77 0.11 -1.64 0.00 3.41 -1.08 -1.48 113.62 108.18 3fmt n SER 16 Ca 0.01 0.54 0.07 0.00 -0.26 0.00 0.00 58.87 59.23 3fmt n SER 16 Cb 0.05 -0.56 0.34 0.00 -0.26 0.00 0.00 64.21 63.78 3fmt n SER 16 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3fmt n HIS 17 N -1.64 1.67 -2.11 7.33 -0.00 -1.01 -4.93 115.22 114.54 3fmt n HIS 17 Ca 0.00 -0.60 -0.42 0.00 -0.00 0.00 0.00 57.72 56.71 3fmt n HIS 17 Cb 0.04 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.99 29.61 3fmt n HIS 17 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3fmt s THR 18 N -2.31 3.01 -0.61 1.59 2.01 -0.55 -4.91 115.64 113.87 3fmt s THR 18 Ca 0.47 0.78 0.05 0.00 0.31 0.00 0.00 61.69 63.30 3fmt s THR 18 Cb 0.34 -3.50 0.05 0.00 0.01 0.00 0.00 72.50 69.40 3fmt s THR 18 CO 0.16 0.09 0.69 0.29 -0.69 0.00 0.00 174.62 175.17 3fmt n LYS 19 N 3.21 -0.07 -3.64 4.92 5.02 -1.26 -4.98 118.16 121.35 3fmt n LYS 19 Ca 0.09 -0.87 -0.10 0.00 -2.02 0.00 0.00 58.31 55.42 3fmt n LYS 19 Cb 0.41 -1.10 -0.07 0.00 -0.02 0.00 0.00 35.03 34.26 3fmt n LYS 19 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3fmt s HIS 20 N -0.46 -0.53 0.15 2.13 -3.43 -1.26 -5.14 115.29 106.75 3fmt s HIS 20 Ca 0.06 1.29 -0.31 0.00 -0.80 0.00 0.00 55.06 55.30 3fmt s HIS 20 Cb 0.04 0.35 -0.10 0.00 -1.43 0.00 0.00 32.58 31.44 3fmt s HIS 20 CO 0.06 -0.25 1.58 -1.50 -2.00 0.00 0.00 174.74 172.63 3fmt s ILE 21 N 0.26 2.69 0.00 -5.38 1.10 -1.26 -2.96 121.20 115.65 3fmt s ILE 21 Ca 0.03 0.46 0.00 0.00 -0.51 0.00 0.00 60.65 60.62 3fmt s ILE 21 Cb -0.05 -3.29 0.00 0.00 0.15 0.00 0.00 42.46 39.27 3fmt s ILE 21 CO -0.05 0.03 0.00 0.61 -2.11 0.00 0.00 174.94 173.42 3fmt n GLY 22 N 3.79 2.64 3.77 1.50 0.00 -1.26 -5.07 105.19 110.56 3fmt n GLY 22 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3fmt n GLY 22 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fmt s GLU 23 N -0.82 4.18 0.67 1.61 -1.05 -1.15 -4.96 118.70 117.18 3fmt s GLU 23 Ca 0.00 2.12 -0.16 0.00 -0.15 0.00 0.00 54.97 56.78 3fmt s GLU 23 Cb 0.00 -2.90 0.01 0.00 -0.44 0.00 0.00 34.13 30.80 3fmt s GLU 23 CO 0.00 -0.30 1.20 -1.54 0.95 0.00 0.00 175.26 175.57 3fmt s SER 24 N -0.69 4.65 0.59 0.83 1.04 -1.26 -4.89 113.70 113.96 3fmt s SER 24 Ca 0.53 2.32 0.31 0.00 0.48 0.00 0.00 55.95 59.60 3fmt s SER 24 Cb -0.37 -2.59 1.82 0.00 0.10 0.00 0.00 66.02 64.98 3fmt s SER 24 CO 0.49 -1.95 2.23 0.03 0.98 0.00 0.00 173.24 175.01 3fmt h ARG 25 N 0.15 0.00 0.86 4.02 -0.00 -1.99 -2.51 114.38 114.92 3fmt h ARG 25 Ca -0.48 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 58.96 3fmt h ARG 25 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.26 3fmt h ARG 25 CO 0.52 0.03 -0.48 0.77 0.00 0.00 0.00 179.97 180.81 3fmt h SER 26 N 0.00 -1.17 -0.67 7.04 0.02 -2.00 -1.12 113.55 115.65 3fmt h SER 26 Ca -0.00 0.06 0.13 0.00 -0.84 0.00 0.00 61.79 61.14 3fmt h SER 26 Cb 0.08 0.33 -0.10 0.00 0.14 0.00 0.00 62.40 62.85 3fmt h SER 26 CO 0.00 -0.76 0.16 0.44 -1.14 0.00 0.00 176.83 175.53 3fmt h ASP 27 N -1.24 0.03 0.32 3.07 5.19 -1.82 -0.10 116.42 121.87 3fmt h ASP 27 Ca -0.12 0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3fmt h ASP 27 Cb 0.97 0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 3fmt h ASP 27 CO 0.15 0.00 -0.28 0.40 -3.12 0.00 0.00 179.24 176.39 3fmt h ILE 28 N 0.28 0.41 -0.00 0.35 2.04 -1.39 -1.12 117.51 118.08 3fmt h ILE 28 Ca 0.36 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.25 3fmt h ILE 28 Cb 0.57 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 3fmt h ILE 28 CO -0.45 0.00 -0.21 -0.07 0.00 0.00 0.00 178.15 177.42 3fmt h LEU 29 N -0.61 -0.62 -1.22 1.44 3.38 -0.62 -0.80 115.31 116.25 3fmt h LEU 29 Ca -0.02 0.09 0.31 0.00 0.09 0.00 0.00 57.88 58.35 3fmt h LEU 29 Cb 0.55 0.26 -0.12 0.00 0.09 0.00 0.00 40.66 41.44 3fmt h LEU 29 CO -0.03 -0.28 0.67 0.03 0.09 0.00 0.00 178.44 178.92 3fmt h ARG 30 N -0.33 0.33 0.80 1.13 2.47 -0.81 0.72 114.38 118.69 3fmt h ARG 30 Ca 0.06 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 3fmt h ARG 30 Cb 0.41 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.67 3fmt h ARG 30 CO -0.20 0.22 -0.38 -0.09 0.56 0.00 0.00 179.97 180.08 3fmt h ARG 31 N 0.34 -1.04 0.43 0.04 2.43 0.12 -2.66 114.38 114.05 3fmt h ARG 31 Ca 0.68 0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.92 3fmt h ARG 31 Cb 1.72 0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 31.48 3fmt h ARG 31 CO -0.43 -0.68 -0.45 0.52 -1.51 0.00 0.00 179.97 177.42 3fmt h MET 32 N -1.26 -0.87 -0.93 0.20 2.86 0.35 0.16 114.93 115.45 3fmt h MET 32 Ca -0.11 0.06 0.20 0.00 -2.06 0.00 0.00 59.70 57.79 3fmt h MET 32 Cb 0.83 0.20 -0.07 0.00 0.06 0.00 0.00 31.60 32.61 3fmt h MET 32 CO 0.18 -0.58 0.60 -0.07 1.06 0.00 0.00 176.91 178.11 3fmt h LEU 33 N -0.90 0.50 0.12 1.22 3.38 0.18 0.75 115.31 120.57 3fmt h LEU 33 Ca -0.04 0.05 -0.34 0.00 0.09 0.00 0.00 57.88 57.64 3fmt h LEU 33 Cb 0.80 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3fmt h LEU 33 CO -0.08 0.20 -1.77 0.50 0.09 0.00 0.00 178.44 177.39 3fmt h LYS 34 N 0.50 0.26 0.00 1.13 3.64 -1.27 -3.33 116.57 117.49 3fmt h LYS 34 Ca 0.49 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3fmt h LYS 34 Cb 1.09 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3fmt h LYS 34 CO -0.22 1.12 -0.61 1.97 -2.27 0.00 0.00 179.45 179.44 3fmt n PHE 35 N -3.44 0.30 1.18 1.91 -1.74 0.55 -3.16 117.46 113.06 3fmt n PHE 35 Ca -0.24 0.09 0.13 0.00 -0.56 0.00 0.00 57.45 56.87 3fmt n PHE 35 Cb 1.05 -0.48 0.33 0.00 1.52 0.00 0.00 39.48 41.90 3fmt n PHE 35 CO 0.00 0.00 0.00 -1.13 -0.56 0.00 0.00 176.76 175.07 3fmt n SER 36 N -1.85 0.99 0.00 5.98 3.41 0.25 -3.09 113.62 119.31 3fmt n SER 36 Ca 0.04 -0.81 0.12 0.00 -0.26 0.00 0.00 58.87 57.96 3fmt n SER 36 Cb 0.40 0.19 0.63 0.00 -0.26 0.00 0.00 64.21 65.17 3fmt n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fmt n ALA 37 N -0.78 2.27 0.39 7.33 0.00 -1.19 -3.05 120.51 125.48 3fmt n ALA 37 Ca 0.11 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.54 3fmt n ALA 37 Cb 0.35 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 3fmt n ALA 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fmt n ALA 38 N -1.27 3.18 0.45 0.00 0.00 -1.18 -3.70 120.51 118.00 3fmt n ALA 38 Ca 0.12 -0.40 0.13 0.00 0.00 0.00 0.00 53.44 53.28 3fmt n ALA 38 Cb 0.19 -0.95 0.47 0.00 0.00 0.00 0.00 19.45 19.17 3fmt n ALA 38 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3fmt h SER 39 N 0.00 0.00 -3.99 0.00 0.02 -1.72 -3.45 113.55 104.41 3fmt h SER 39 Ca 0.00 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.47 3fmt h SER 39 Cb 0.82 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.38 3fmt h SER 39 CO 0.00 0.00 0.27 -1.10 -1.14 0.00 0.00 176.83 174.86 3fmt s GLN 40 N -3.27 3.84 0.83 3.45 -0.21 -1.24 -5.05 119.66 118.01 3fmt s GLN 40 Ca 0.06 0.72 -0.10 0.00 0.02 0.00 0.00 55.36 56.06 3fmt s GLN 40 Cb 0.10 -2.24 0.10 0.00 1.00 0.00 0.00 33.01 31.97 3fmt s GLN 40 CO 0.47 -0.20 1.12 0.15 -2.12 0.00 0.00 175.29 174.70 3fmt s LYS 60 N -4.10 1.71 0.75 2.91 3.01 -1.26 -5.00 119.74 117.75 3fmt s LYS 60 Ca 0.55 1.34 -0.11 0.00 -1.01 0.00 0.00 55.97 56.75 3fmt s LYS 60 Cb -0.10 -1.82 0.04 0.00 -1.01 0.00 0.00 37.83 34.94 3fmt s LYS 60 CO 0.34 -2.08 1.08 -1.25 0.51 0.00 0.00 175.35 173.95 3fmt s PRO 61 N -4.78 2.47 0.00 -1.68 0.04 -1.26 -4.99 135.00 124.80 3fmt s PRO 61 Ca 0.64 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3fmt s PRO 61 Cb -0.20 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3fmt s PRO 61 CO 0.57 -1.47 0.51 1.33 0.04 0.00 0.00 177.00 177.98 3fmt n VAL 62 N -3.40 0.00 -0.03 -0.36 0.24 -1.26 -4.72 118.33 108.80 3fmt n VAL 62 Ca 0.09 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.25 3fmt n VAL 62 Cb 0.53 0.63 -0.11 0.00 -1.47 0.00 0.00 33.84 33.42 3fmt n VAL 62 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3fmt h LYS 63 N 0.00 0.01 -6.90 7.34 1.57 -1.92 -3.40 116.57 113.27 3fmt h LYS 63 Ca 0.00 -0.01 -0.48 0.00 -1.87 0.00 0.00 60.65 58.29 3fmt h LYS 63 Cb 1.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3fmt h LYS 63 CO 0.00 0.63 0.18 0.95 -0.57 0.00 0.00 179.45 180.64 3fmt s THR 64 N -3.72 4.66 0.24 -0.16 -4.23 -1.26 -4.94 115.64 106.23 3fmt s THR 64 Ca -0.17 0.92 -0.05 0.00 -1.18 0.00 0.00 61.69 61.22 3fmt s THR 64 Cb 0.00 -3.68 0.20 0.00 1.34 0.00 0.00 72.50 70.37 3fmt s THR 64 CO 0.68 -0.43 1.75 0.40 -0.54 0.00 0.00 174.62 176.49 3fmt h ILE 65 N 1.41 0.74 -0.83 2.99 2.04 -1.94 0.14 117.51 122.07 3fmt h ILE 65 Ca -0.47 -0.18 0.09 0.00 1.00 0.00 0.00 64.86 65.29 3fmt h ILE 65 Cb 1.18 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 3fmt h ILE 65 CO 0.64 0.10 0.54 0.50 0.00 0.00 0.00 178.15 179.92 3fmt h LYS 66 N 0.52 0.80 -0.09 2.37 3.64 -1.97 0.20 116.57 122.05 3fmt h LYS 66 Ca 0.39 -0.05 -0.15 0.00 -1.27 0.00 0.00 60.65 59.57 3fmt h LYS 66 Cb 0.52 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3fmt h LYS 66 CO -0.34 0.53 -0.61 -0.44 -2.27 0.00 0.00 179.45 176.32 3fmt h ASP 67 N 0.83 0.37 -0.12 4.20 3.32 -1.35 -1.60 116.42 122.07 3fmt h ASP 67 Ca 0.38 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 3fmt h ASP 67 Cb 0.37 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3fmt h ASP 67 CO -0.15 0.89 -0.20 0.11 -1.72 0.00 0.00 179.24 178.17 3fmt h LYS 68 N 0.24 0.35 -0.23 3.56 1.57 -0.07 -1.34 116.57 120.64 3fmt h LYS 68 Ca -0.01 -0.22 0.05 0.00 -1.87 0.00 0.00 60.65 58.61 3fmt h LYS 68 Cb 1.13 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 3fmt h LYS 68 CO 0.10 0.80 -0.10 0.28 -0.57 0.00 0.00 179.45 179.96 3fmt h VAL 69 N -0.07 0.67 -0.11 0.50 2.07 -0.65 0.27 116.25 118.92 3fmt h VAL 69 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 3fmt h VAL 69 Cb 0.78 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3fmt h VAL 69 CO 0.05 0.00 0.08 -0.09 0.02 0.00 0.00 177.57 177.63 3fmt h ARG 70 N -0.07 0.06 -0.01 1.57 2.43 -1.27 0.67 114.38 117.76 3fmt h ARG 70 Ca 0.12 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3fmt h ARG 70 Cb 0.25 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3fmt h ARG 70 CO -0.28 0.04 -0.24 0.00 -1.51 0.00 0.00 179.97 177.98 3fmt h ALA 71 N 1.94 0.05 -0.01 2.80 0.00 0.12 -2.41 119.26 121.75 3fmt h ALA 71 Ca 0.05 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 3fmt h ALA 71 Cb 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3fmt h ALA 71 CO -0.01 0.08 -0.27 0.52 0.00 0.00 0.00 179.25 179.58 3fmt h MET 72 N -0.44 0.02 -0.36 0.00 2.86 -0.19 -2.66 114.93 114.15 3fmt h MET 72 Ca -0.03 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3fmt h MET 72 Cb 0.97 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 3fmt h MET 72 CO 0.05 0.28 0.05 -0.09 1.06 0.00 0.00 176.91 178.27 3fmt h ARG 73 N 0.01 0.60 -0.64 1.72 2.43 -0.86 -2.79 114.38 114.86 3fmt h ARG 73 Ca -0.00 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 58.99 3fmt h ARG 73 Cb 0.49 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3fmt h ARG 73 CO 0.04 0.68 0.32 0.93 -1.51 0.00 0.00 179.97 180.42 3fmt h GLU 74 N 0.44 0.89 0.42 0.20 4.39 -1.11 -1.88 114.58 117.93 3fmt h GLU 74 Ca 0.11 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 3fmt h GLU 74 Cb 0.37 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3fmt h GLU 74 CO 0.01 0.68 -0.20 1.25 -1.16 0.00 0.00 179.01 179.58 3fmt h LEU 75 N 0.89 -0.48 -1.03 1.33 5.85 -1.33 0.87 115.31 121.42 3fmt h LEU 75 Ca 0.22 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.04 3fmt h LEU 75 Cb 0.06 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 3fmt h LEU 75 CO -0.03 -0.31 0.63 -0.07 -0.34 0.00 0.00 178.44 178.32 3fmt h LEU 76 N -0.60 0.95 -0.13 2.25 3.38 -1.30 -0.73 115.31 119.14 3fmt h LEU 76 Ca -0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3fmt h LEU 76 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3fmt h LEU 76 CO 0.09 0.54 -0.06 0.18 0.09 0.00 0.00 178.44 179.29 3fmt n LEU 77 N -4.57 0.26 -4.81 1.67 4.77 -0.72 -4.75 117.00 108.85 3fmt n LEU 77 Ca 0.18 0.10 -0.33 0.00 -0.03 0.00 0.00 56.01 55.93 3fmt n LEU 77 Cb 0.30 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3fmt n LEU 77 CO 0.29 0.05 0.71 -0.94 -1.33 0.00 0.00 177.39 176.17 3fmt s SER 78 N -2.47 5.93 0.14 -1.43 1.04 0.27 -4.97 113.70 112.22 3fmt s SER 78 Ca 0.30 1.80 -0.16 0.00 0.48 0.00 0.00 55.95 58.38 3fmt s SER 78 Cb 0.20 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.79 3fmt s SER 78 CO 0.46 -1.06 1.68 0.44 0.98 0.00 0.00 173.24 175.74 3fmt h ASP 79 N 0.59 0.58 0.40 7.02 3.32 -1.88 -3.02 116.42 123.43 3fmt h ASP 79 Ca -0.47 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.40 3fmt h ASP 79 Cb 1.22 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3fmt h ASP 79 CO 0.58 0.59 -0.32 -0.08 -1.72 0.00 0.00 179.24 178.29 3fmt h GLU 80 N 0.53 -0.70 -0.22 3.56 4.81 -1.93 -0.81 114.58 119.82 3fmt h GLU 80 Ca 0.14 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 3fmt h GLU 80 Cb 0.20 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3fmt h GLU 80 CO -0.01 -0.46 0.23 -0.92 -0.73 0.00 0.00 179.01 177.12 3fmt h TYR 81 N -0.72 0.00 0.04 0.92 3.20 -1.77 0.13 116.97 118.77 3fmt h TYR 81 Ca -0.03 0.00 -0.22 0.00 3.14 0.00 0.00 58.73 61.61 3fmt h TYR 81 Cb 0.63 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3fmt h TYR 81 CO -0.15 0.00 -1.02 0.00 -1.64 0.00 0.00 178.16 175.34 3fmt h ALA 82 N 1.74 0.34 -0.33 1.82 0.00 -1.09 -3.28 119.26 118.46 3fmt h ALA 82 Ca 0.10 -0.82 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 3fmt h ALA 82 Cb 0.57 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3fmt h ALA 82 CO -0.00 1.03 -0.10 0.93 0.00 0.00 0.00 179.25 181.10 3fmt h GLU 83 N 0.07 0.56 -6.53 0.00 5.08 0.37 -3.44 114.58 110.68 3fmt h GLU 83 Ca -0.06 -0.16 -0.59 0.00 -1.00 0.00 0.00 59.36 57.55 3fmt h GLU 83 Cb 1.72 -0.06 0.08 0.00 0.50 0.00 0.00 28.75 30.99 3fmt h GLU 83 CO 0.15 0.65 0.61 1.04 -1.00 0.00 0.00 179.01 180.47 3fmt n GLN 84 N -4.21 1.93 -0.01 2.33 1.13 -1.16 -4.90 117.38 112.50 3fmt n GLN 84 Ca 0.01 0.69 0.06 0.00 -1.94 0.00 0.00 57.00 55.82 3fmt n GLN 84 Cb 0.32 -2.36 -0.09 0.00 0.11 0.00 0.00 30.24 28.22 3fmt n GLN 84 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3fmt n LYS 85 N 2.32 0.41 -3.76 -1.09 5.02 -1.26 -4.96 118.16 114.84 3fmt n LYS 85 Ca 0.13 -0.11 -0.24 0.00 -2.02 0.00 0.00 58.31 56.08 3fmt n LYS 85 Cb 0.30 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 34.01 3fmt n LYS 85 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3fmt s ARG 86 N -2.80 3.47 0.01 1.97 1.81 -1.26 -5.03 118.95 117.12 3fmt s ARG 86 Ca -0.04 -0.54 -0.21 0.00 -1.72 0.00 0.00 55.73 53.22 3fmt s ARG 86 Cb 0.08 -2.83 -0.19 0.00 -0.45 0.00 0.00 34.95 31.56 3fmt s ARG 86 CO 0.49 0.36 1.20 0.00 -0.68 0.00 0.00 175.30 176.67 3fmt h ALA 87 N 1.34 0.15 -0.85 2.13 0.00 -1.94 -2.96 119.26 117.13 3fmt h ALA 87 Ca -0.50 -0.44 0.15 0.00 0.00 0.00 0.00 54.91 54.12 3fmt h ALA 87 Cb 1.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 3fmt h ALA 87 CO 0.63 0.19 0.55 -0.24 0.00 0.00 0.00 179.25 180.39 3fmt h VAL 88 N -0.12 0.81 -0.17 0.00 3.04 -1.97 0.49 116.25 118.33 3fmt h VAL 88 Ca -0.02 -0.20 -0.06 0.00 -1.01 0.00 0.00 66.70 65.41 3fmt h VAL 88 Cb 0.95 0.17 -0.00 0.00 -2.01 0.00 0.00 31.29 30.40 3fmt h VAL 88 CO 0.07 0.11 -0.12 0.78 -1.01 0.00 0.00 177.57 177.39 3fmt h ASN 89 N 0.59 0.40 -0.84 3.17 -0.26 -1.96 0.11 115.58 116.80 3fmt h ASN 89 Ca 0.42 -0.44 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 3fmt h ASN 89 Cb 0.79 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.89 3fmt h ASN 89 CO -0.18 0.76 0.52 0.03 -1.06 0.00 0.00 177.43 177.51 3fmt h ARG 90 N 0.05 1.13 -0.48 0.81 3.08 -1.19 -2.01 114.38 115.77 3fmt h ARG 90 Ca 0.03 -0.09 0.09 0.00 0.07 0.00 0.00 59.98 60.08 3fmt h ARG 90 Cb 0.63 -0.24 -0.08 0.00 0.08 0.00 0.00 29.97 30.36 3fmt h ARG 90 CO 0.03 0.78 0.01 0.35 -1.07 0.00 0.00 179.97 180.07 3fmt h PHE 91 N 1.14 -0.01 -0.22 3.04 3.57 0.21 -1.81 116.94 122.87 3fmt h PHE 91 Ca 0.30 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.82 3fmt h PHE 91 Cb -0.07 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3fmt h PHE 91 CO -0.01 -0.10 0.07 0.52 -2.23 0.00 0.00 178.31 176.57 3fmt h MET 92 N 0.12 0.34 -0.21 1.11 2.86 -0.53 -2.21 114.93 116.41 3fmt h MET 92 Ca 0.24 -0.07 0.06 0.00 -2.06 0.00 0.00 59.70 57.87 3fmt h MET 92 Cb 0.35 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 3fmt h MET 92 CO -0.39 0.42 0.15 -0.07 1.06 0.00 0.00 176.91 178.08 3fmt h LEU 93 N 0.19 0.03 0.20 1.22 3.38 -1.01 0.27 115.31 119.59 3fmt h LEU 93 Ca 0.07 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3fmt h LEU 93 Cb 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3fmt h LEU 93 CO -0.00 0.02 -0.10 -0.07 0.09 0.00 0.00 178.44 178.38 3fmt h LEU 94 N 0.03 -0.23 -0.34 1.67 3.38 -0.84 -0.80 115.31 118.18 3fmt h LEU 94 Ca 0.10 -0.29 0.07 0.00 0.09 0.00 0.00 57.88 57.85 3fmt h LEU 94 Cb 0.36 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 3fmt h LEU 94 CO -0.00 0.29 -0.09 -0.07 0.09 0.00 0.00 178.44 178.65 3fmt h LEU 95 N -0.88 -0.34 -0.81 1.67 3.38 -1.12 0.47 115.31 117.69 3fmt h LEU 95 Ca -0.03 0.11 0.13 0.00 0.09 0.00 0.00 57.88 58.18 3fmt h LEU 95 Cb 0.51 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 3fmt h LEU 95 CO 0.05 -0.12 0.40 -1.28 0.09 0.00 0.00 178.44 177.58 3fmt h SER 96 N -0.01 0.49 0.08 -0.43 0.87 -0.48 -1.08 113.55 112.99 3fmt h SER 96 Ca 0.17 0.09 -0.23 0.00 -1.23 0.00 0.00 61.79 60.58 3fmt h SER 96 Cb 0.26 0.01 0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3fmt h SER 96 CO -0.36 0.22 -0.94 0.74 -0.53 0.00 0.00 176.83 175.96 3fmt h THR 97 N 0.60 1.37 -0.92 2.23 2.02 -0.29 -3.25 112.91 114.67 3fmt h THR 97 Ca 0.43 -2.33 0.05 0.00 0.77 0.00 0.00 66.41 65.32 3fmt h THR 97 Cb 0.57 2.73 -0.06 0.00 -1.74 0.00 0.00 68.15 69.66 3fmt h THR 97 CO -0.34 0.69 0.60 -0.07 0.37 0.00 0.00 175.52 176.77 3fmt h LEU 98 N 0.05 0.96 -0.72 2.58 3.38 0.35 -1.72 115.31 120.19 3fmt h LEU 98 Ca -0.14 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3fmt h LEU 98 Cb 1.66 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 3fmt h LEU 98 CO 0.18 0.64 0.42 0.22 0.09 0.00 0.00 178.44 179.99 3fmt h TYR 99 N 1.11 0.97 0.00 1.13 5.03 -1.29 -2.59 116.97 121.34 3fmt h TYR 99 Ca 0.38 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.67 3fmt h TYR 99 Cb 0.09 -0.32 0.00 0.00 1.55 0.00 0.00 36.73 38.05 3fmt h TYR 99 CO -0.00 0.67 0.00 -1.13 -1.32 0.00 0.00 178.16 176.38 3fmt n SER 100 N -4.50 0.00 0.07 -2.11 3.41 -0.66 -2.55 113.62 107.28 3fmt n SER 100 Ca 0.06 0.22 -0.14 0.00 -0.26 0.00 0.00 58.87 58.75 3fmt n SER 100 Cb 0.07 -0.38 -0.14 0.00 -0.26 0.00 0.00 64.21 63.51 3fmt n SER 100 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3fmt h LEU 101 N 0.00 0.31 -5.95 1.04 3.38 -1.25 -3.45 115.31 109.39 3fmt h LEU 101 Ca 0.00 -0.38 0.14 0.00 0.09 0.00 0.00 57.88 57.73 3fmt h LEU 101 Cb 0.26 -0.10 -0.19 0.00 0.09 0.00 0.00 40.66 40.71 3fmt h LEU 101 CO 0.00 1.31 -0.16 -0.62 0.09 0.00 0.00 178.44 179.06 3fmt s ASP 102 N -6.95 -0.87 0.13 -0.43 -1.08 -1.06 -4.66 116.67 101.75 3fmt s ASP 102 Ca -0.05 0.05 -0.25 0.00 -0.52 0.00 0.00 52.55 51.78 3fmt s ASP 102 Cb 0.08 1.51 -0.04 0.00 -1.46 0.00 0.00 42.92 43.00 3fmt s ASP 102 CO 0.86 -0.15 1.63 0.00 0.52 0.00 0.00 175.17 178.03 3fmt h ALA 103 N 7.39 -0.31 -0.37 3.66 0.00 -1.86 -1.87 119.26 125.91 3fmt h ALA 103 Ca -0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3fmt h ALA 103 Cb 1.18 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 3fmt h ALA 103 CO -0.00 -0.74 0.14 0.37 0.00 0.00 0.00 179.25 179.01 3fmt h GLN 104 N -0.37 0.56 -0.88 0.00 4.15 -1.98 -2.62 115.11 113.97 3fmt h GLN 104 Ca 0.08 -0.11 0.04 0.00 0.77 0.00 0.00 58.65 59.43 3fmt h GLN 104 Cb 0.47 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.02 3fmt h GLN 104 CO -0.25 0.55 0.56 0.00 -1.93 0.00 0.00 178.83 177.76 3fmt h ALA 105 N 0.98 1.18 -0.26 3.38 0.00 -1.93 -0.43 119.26 122.18 3fmt h ALA 105 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3fmt h ALA 105 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3fmt h ALA 105 CO -0.01 0.38 0.11 0.35 0.00 0.00 0.00 179.25 180.08 3fmt h PHE 106 N 1.07 0.34 -0.01 0.00 3.04 -1.10 -2.26 116.94 118.01 3fmt h PHE 106 Ca 0.36 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.30 3fmt h PHE 106 Cb 0.06 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.46 3fmt h PHE 106 CO -0.02 0.26 -0.02 0.00 -2.02 0.00 0.00 178.31 176.51 3fmt h ALA 107 N 1.78 0.02 -0.17 2.41 0.00 -0.73 -2.12 119.26 120.44 3fmt h ALA 107 Ca 0.09 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3fmt h ALA 107 Cb 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3fmt h ALA 107 CO -0.01 -0.17 -0.12 0.93 0.00 0.00 0.00 179.25 179.88 3fmt h GLU 108 N -0.54 0.27 0.00 0.00 5.08 -1.29 -0.79 114.58 117.31 3fmt h GLU 108 Ca -0.00 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3fmt h GLU 108 Cb 0.62 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3fmt h GLU 108 CO 0.01 0.40 -0.28 0.00 -1.00 0.00 0.00 179.01 178.13 3fmt h ALA 109 N 1.63 0.95 0.07 3.43 0.00 -1.42 -3.29 119.26 120.63 3fmt h ALA 109 Ca 0.05 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3fmt h ALA 109 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3fmt h ALA 109 CO 0.02 0.35 -0.03 1.15 0.00 0.00 0.00 179.25 180.74 3fmt h THR 110 N 0.00 1.17 -0.89 0.00 2.02 -0.45 -3.33 112.91 111.43 3fmt h THR 110 Ca -0.00 -1.49 0.08 0.00 0.77 0.00 0.00 66.41 65.78 3fmt h THR 110 Cb 0.89 2.05 -0.07 0.00 -1.74 0.00 0.00 68.15 69.28 3fmt h THR 110 CO 0.04 0.33 0.55 -0.33 0.37 0.00 0.00 175.52 176.48 3fmt h GLU 111 N -0.84 0.92 -0.19 6.66 5.08 -1.44 0.18 114.58 124.95 3fmt h GLU 111 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3fmt h GLU 111 Cb 0.62 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3fmt h GLU 111 CO 0.02 0.61 0.00 -1.13 -1.00 0.00 0.00 179.01 177.50 3fmt n SER 112 N -4.64 0.19 -4.05 1.42 3.41 -1.24 -4.59 113.62 104.12 3fmt n SER 112 Ca 0.14 -1.89 -0.32 0.00 -0.26 0.00 0.00 58.87 56.55 3fmt n SER 112 Cb 0.24 -0.09 -0.14 0.00 -0.26 0.00 0.00 64.21 63.95 3fmt n SER 112 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3fmt s LEU 113 N -0.80 4.69 0.34 1.04 0.20 0.62 -5.07 118.68 119.70 3fmt s LEU 113 Ca 0.00 -2.04 -0.13 0.00 0.69 0.00 0.00 54.13 52.65 3fmt s LEU 113 Cb 0.00 -1.66 0.03 0.00 -0.43 0.00 0.00 46.19 44.13 3fmt s LEU 113 CO 0.00 -0.38 0.66 -1.38 -0.29 0.00 0.00 176.35 174.96 3fmt s HIS 114 N 0.97 0.34 0.00 5.38 -3.43 -1.26 -4.36 115.29 112.92 3fmt s HIS 114 Ca 0.08 -0.83 0.00 0.00 -0.80 0.00 0.00 55.06 53.51 3fmt s HIS 114 Cb -0.20 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.46 3fmt s HIS 114 CO -0.07 -1.34 0.00 0.41 -2.00 0.00 0.00 174.74 171.74 3fmt n GLY 115 N -0.51 3.93 0.13 -1.38 0.00 -0.79 -4.99 105.19 101.57 3fmt n GLY 115 Ca -0.05 -2.09 -0.13 0.00 0.00 0.00 0.00 46.02 43.75 3fmt n GLY 115 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3fmt h ARG 116 N 0.00 -0.21 0.00 1.61 2.43 -2.03 -3.39 114.38 112.79 3fmt h ARG 116 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3fmt h ARG 116 Cb 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 3fmt h ARG 116 CO 0.00 0.13 -0.58 0.25 -1.51 0.00 0.00 179.97 178.25 3fmt n THR 117 N -5.03 0.00 -3.57 0.20 -2.24 -1.26 -5.04 114.28 97.35 3fmt n THR 117 Ca -0.09 -0.16 -0.37 0.00 -2.27 0.00 0.00 64.05 61.16 3fmt n THR 117 Cb 0.23 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 3fmt n THR 117 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3fmt s ARG 118 N -1.48 4.00 -0.03 -0.78 0.52 -1.26 -4.29 118.95 115.62 3fmt s ARG 118 Ca 0.00 0.20 -0.21 0.00 -0.52 0.00 0.00 55.73 55.20 3fmt s ARG 118 Cb 0.00 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 32.11 3fmt s ARG 118 CO 0.00 0.49 0.62 0.08 0.02 0.00 0.00 175.30 176.51 3fmt s VAL 119 N -0.35 4.97 -0.20 3.52 1.01 -1.26 -1.89 120.40 126.19 3fmt s VAL 119 Ca 0.20 1.28 -0.19 0.00 0.00 0.00 0.00 61.98 63.26 3fmt s VAL 119 Cb -0.14 -3.95 -0.20 0.00 0.00 0.00 0.00 36.38 32.09 3fmt s VAL 119 CO 0.08 0.36 0.20 -1.22 0.00 0.00 0.00 175.10 174.52 3fmt n TYR 120 N 3.09 0.99 -5.14 5.22 4.01 -1.26 -4.72 117.16 119.35 3fmt n TYR 120 Ca -0.05 0.39 -0.32 0.00 -0.16 0.00 0.00 57.90 57.76 3fmt n TYR 120 Cb 0.51 -1.10 -0.16 0.00 -0.31 0.00 0.00 39.34 38.28 3fmt n TYR 120 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3fmt s PHE 121 N -2.40 2.56 0.09 -0.72 0.40 -1.26 -2.51 117.98 114.15 3fmt s PHE 121 Ca -0.29 -0.80 -0.07 0.00 -0.60 0.00 0.00 56.93 55.17 3fmt s PHE 121 Cb 0.06 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 3fmt s PHE 121 CO 0.61 -0.27 0.16 0.00 0.70 0.00 0.00 175.22 176.42 3fmt s ALA 122 N 0.08 -0.08 -1.02 5.36 0.00 -0.88 -4.96 121.76 120.26 3fmt s ALA 122 Ca -0.10 -0.74 0.28 0.00 0.00 0.00 0.00 51.96 51.40 3fmt s ALA 122 Cb -0.16 0.49 1.10 0.00 0.00 0.00 0.00 23.12 24.56 3fmt s ALA 122 CO 0.06 -0.50 1.83 0.00 0.00 0.00 0.00 175.76 177.15 3fmt n ALA 123 N -0.05 2.59 -2.53 0.00 0.00 -1.26 -0.06 120.51 119.19 3fmt n ALA 123 Ca -0.14 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.06 3fmt n ALA 123 Cb 0.62 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 3fmt n ALA 123 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3fmt s ASP 124 N -2.98 0.27 0.11 0.00 1.47 -1.26 -4.77 116.67 109.51 3fmt s ASP 124 Ca 0.14 -0.69 -0.16 0.00 1.18 0.00 0.00 52.55 53.03 3fmt s ASP 124 Cb 0.19 0.22 -0.04 0.00 -0.34 0.00 0.00 42.92 42.94 3fmt s ASP 124 CO 0.56 -0.54 1.53 -0.08 0.68 0.00 0.00 175.17 177.32 3fmt h GLU 125 N 3.49 0.64 -1.00 2.11 4.81 -1.97 -3.25 114.58 119.41 3fmt h GLU 125 Ca -0.33 -0.23 0.11 0.00 -0.13 0.00 0.00 59.36 58.78 3fmt h GLU 125 Cb 1.18 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.43 3fmt h GLU 125 CO 0.55 0.79 0.64 0.37 -0.73 0.00 0.00 179.01 180.62 3fmt h GLN 126 N 0.44 1.00 -0.91 1.92 5.75 -1.98 -1.81 115.11 119.52 3fmt h GLN 126 Ca 0.09 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.61 3fmt h GLN 126 Cb 0.52 -0.23 -0.07 0.00 1.07 0.00 0.00 27.48 28.78 3fmt h GLN 126 CO 0.03 0.66 0.57 1.15 -2.65 0.00 0.00 178.83 178.58 3fmt h THR 127 N 1.03 1.02 0.00 2.39 2.02 -1.99 0.23 112.91 117.61 3fmt h THR 127 Ca 0.48 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 67.24 3fmt h THR 127 Cb 0.43 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 3fmt h THR 127 CO -0.25 0.18 -0.40 -0.07 0.37 0.00 0.00 175.52 175.35 3fmt h LEU 128 N 1.00 0.00 0.00 2.58 3.38 -1.48 -2.19 115.31 118.60 3fmt h LEU 128 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3fmt h LEU 128 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3fmt h LEU 128 CO -0.20 0.40 -0.30 0.18 0.09 0.00 0.00 178.44 178.62 3fmt n LEU 129 N -3.44 0.39 -0.07 1.67 4.77 -0.37 -3.24 117.00 116.71 3fmt n LEU 129 Ca 0.00 0.26 -0.07 0.00 -0.03 0.00 0.00 56.01 56.18 3fmt n LEU 129 Cb 0.56 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3fmt n LEU 129 CO 0.37 0.02 -0.28 0.50 -1.33 0.00 0.00 177.39 176.68 3fmt h LYS 130 N 0.00 0.00 -0.34 3.23 1.63 -0.14 -3.41 116.57 117.54 3fmt h LYS 130 Ca 0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 3fmt h LYS 130 Cb 0.56 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 3fmt h LYS 130 CO 0.00 0.21 -0.05 -0.91 -3.45 0.00 0.00 179.45 175.25 3fmt h ASN 131 N -1.00 0.63 -4.70 4.20 2.35 -1.58 -3.45 115.58 112.03 3fmt h ASN 131 Ca -0.06 -0.34 -0.38 0.00 -0.55 0.00 0.00 56.30 54.97 3fmt h ASN 131 Cb 0.56 -0.17 -0.05 0.00 0.05 0.00 0.00 38.32 38.71 3fmt h ASN 131 CO -0.03 0.82 -0.22 0.61 -1.65 0.00 0.00 177.43 176.96 3fmt n GLY 132 N -0.24 3.21 3.36 2.83 0.00 -1.20 -4.63 105.19 108.52 3fmt n GLY 132 Ca -0.02 -2.27 -0.15 0.00 0.00 0.00 0.00 46.02 43.58 3fmt n GLY 132 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fmt s ASN 133 N -2.90 -0.38 -1.59 1.61 2.47 -1.26 -4.40 114.94 108.49 3fmt s ASN 133 Ca 0.12 0.26 0.00 0.00 0.42 0.00 0.00 52.86 53.66 3fmt s ASN 133 Cb -0.01 0.43 0.00 0.00 -1.45 0.00 0.00 41.25 40.22 3fmt s ASN 133 CO 0.08 -0.58 0.00 0.00 -3.72 0.00 0.00 177.10 172.88 3fmt n GLN 134 N 0.88 -1.43 0.00 0.43 1.13 -1.26 -4.88 117.38 112.25 3fmt n GLN 134 Ca -0.20 0.91 0.12 0.00 -1.94 0.00 0.00 57.00 55.89 3fmt n GLN 134 Cb 0.58 -5.39 0.22 0.00 0.11 0.00 0.00 30.24 25.75 3fmt n GLN 134 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3fmt n THR 135 N -3.86 0.00 -3.74 5.09 -2.24 -1.26 -4.77 114.28 103.50 3fmt n THR 135 Ca -0.21 -0.05 -0.27 0.00 -2.27 0.00 0.00 64.05 61.24 3fmt n THR 135 Cb 0.66 0.45 0.01 0.00 -2.10 0.00 0.00 70.33 69.35 3fmt n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fmt n LYS 136 N -1.18 -1.18 -2.51 -0.78 5.02 -1.26 -0.96 118.16 115.31 3fmt n LYS 136 Ca 0.07 0.66 -0.41 0.00 -2.02 0.00 0.00 58.31 56.61 3fmt n LYS 136 Cb 0.35 -3.09 -0.04 0.00 -0.02 0.00 0.00 35.03 32.23 3fmt n LYS 136 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3fmt s PRO 137 N -5.40 4.59 0.48 1.97 0.04 -1.26 -2.58 135.00 132.83 3fmt s PRO 137 Ca 0.19 1.73 0.05 0.00 0.04 0.00 0.00 61.00 63.00 3fmt s PRO 137 Cb -0.09 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 3fmt s PRO 137 CO 0.89 0.07 0.22 0.15 0.04 0.00 0.00 177.00 178.37 3fmt s LYS 138 N -0.40 2.23 -0.21 4.56 1.02 0.23 -4.94 119.74 122.24 3fmt s LYS 138 Ca 0.49 -2.02 -0.04 0.00 0.02 0.00 0.00 55.97 54.42 3fmt s LYS 138 Cb -0.30 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.07 3fmt s LYS 138 CO 0.35 -0.34 -0.04 -1.58 -0.92 0.00 0.00 175.35 172.82 3fmt s HIS 139 N -2.72 2.96 -0.26 3.18 5.65 -1.26 -1.44 115.29 121.41 3fmt s HIS 139 Ca 0.31 -0.79 -0.29 0.00 0.25 0.00 0.00 55.06 54.54 3fmt s HIS 139 Cb 0.01 -2.08 -0.02 0.00 -1.18 0.00 0.00 32.58 29.32 3fmt s HIS 139 CO 0.18 -0.44 1.57 0.14 -0.65 0.00 0.00 174.74 175.54 3fmt s VAL 140 N 1.26 3.76 0.43 0.89 -7.23 -1.18 -4.95 120.40 113.38 3fmt s VAL 140 Ca 0.03 0.84 -0.24 0.00 -1.81 0.00 0.00 61.98 60.81 3fmt s VAL 140 Cb -0.14 -3.81 -0.10 0.00 0.56 0.00 0.00 36.38 32.89 3fmt s VAL 140 CO -0.01 -0.37 1.01 -2.65 -0.31 0.00 0.00 175.10 172.77 3fmt n PRO 141 N 7.71 1.33 -2.30 4.82 -0.02 -1.26 -2.35 135.00 142.93 3fmt n PRO 141 Ca 0.18 0.48 -0.16 0.00 -2.02 0.00 0.00 63.50 61.98 3fmt n PRO 141 Cb 0.46 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 3fmt n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fmt n GLY 142 N 1.19 -0.27 3.28 -1.23 0.00 -1.26 -4.73 105.19 102.17 3fmt n GLY 142 Ca 0.10 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 3fmt n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fmt s THR 143 N -2.82 0.02 -1.35 2.61 2.01 -0.99 -4.94 115.64 110.19 3fmt s THR 143 Ca 0.00 -0.19 0.20 0.00 0.31 0.00 0.00 61.69 62.01 3fmt s THR 143 Cb 0.00 -0.60 0.32 0.00 0.01 0.00 0.00 72.50 72.23 3fmt s THR 143 CO 0.00 -0.10 1.64 -0.81 -0.69 0.00 0.00 174.62 174.66 3fmt n PRO 144 N 2.11 0.24 -2.84 4.92 -0.04 -1.26 -4.74 135.00 133.38 3fmt n PRO 144 Ca -0.17 0.11 -0.26 0.00 -0.04 0.00 0.00 63.50 63.14 3fmt n PRO 144 Cb 0.57 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 3fmt n PRO 144 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3fmt s TYR 145 N -2.65 3.45 0.04 0.54 1.51 -1.26 -4.49 117.35 114.49 3fmt s TYR 145 Ca 0.17 0.59 0.04 0.00 -1.01 0.00 0.00 57.07 56.86 3fmt s TYR 145 Cb 0.14 -2.26 -0.02 0.00 -0.11 0.00 0.00 41.96 39.70 3fmt s TYR 145 CO 0.32 -0.27 -0.13 -1.58 -1.11 0.00 0.00 175.55 172.78 3fmt s TRP 146 N -2.64 1.13 0.04 2.71 0.52 0.91 -3.09 118.94 118.52 3fmt s TRP 146 Ca 0.47 -0.37 0.04 0.00 0.02 0.00 0.00 56.10 56.26 3fmt s TRP 146 Cb -0.10 -0.66 -0.02 0.00 -1.15 0.00 0.00 33.47 31.53 3fmt s TRP 146 CO 0.42 0.02 -0.12 0.54 0.02 0.00 0.00 176.95 177.83 3fmt s VAL 147 N -0.92 0.91 0.29 4.03 0.11 -0.52 -2.08 120.40 122.21 3fmt s VAL 147 Ca -0.00 -1.02 -0.23 0.00 -2.93 0.00 0.00 61.98 57.80 3fmt s VAL 147 Cb -0.08 -0.86 -0.09 0.00 -1.53 0.00 0.00 36.38 33.81 3fmt s VAL 147 CO 0.01 -0.14 0.85 0.27 -3.33 0.00 0.00 175.10 172.76 3fmt s ILE 148 N -1.02 4.39 -0.04 7.04 -5.25 -1.04 -0.60 121.20 124.67 3fmt s ILE 148 Ca -0.02 1.55 0.06 0.00 -0.99 0.00 0.00 60.65 61.25 3fmt s ILE 148 Cb -0.08 -3.91 -0.08 0.00 2.95 0.00 0.00 42.46 41.33 3fmt s ILE 148 CO 0.01 0.13 0.06 0.41 -1.79 0.00 0.00 174.94 173.77 3fmt n THR 149 N 0.54 0.26 -1.18 8.37 -1.04 -0.73 -4.85 114.28 115.64 3fmt n THR 149 Ca 0.00 -0.21 -0.38 0.00 -2.04 0.00 0.00 64.05 61.42 3fmt n THR 149 Cb 0.51 -0.41 -0.08 0.00 -1.82 0.00 0.00 70.33 68.53 3fmt n THR 149 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3fmt n ASN 150 N -2.04 2.06 -3.68 8.00 4.05 -0.13 -4.77 115.26 118.75 3fmt n ASN 150 Ca -0.07 -2.61 -0.14 0.00 0.45 0.00 0.00 54.58 52.21 3fmt n ASN 150 Cb 0.50 -1.12 -0.08 0.00 1.23 0.00 0.00 39.78 40.31 3fmt n ASN 150 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 3fmt s THR 151 N 8.04 0.01 1.25 -0.44 -4.23 -1.26 -4.97 115.64 114.03 3fmt s THR 151 Ca 0.65 -0.08 -0.16 0.00 -1.18 0.00 0.00 61.69 60.92 3fmt s THR 151 Cb 0.10 -0.75 0.31 0.00 1.34 0.00 0.00 72.50 73.50 3fmt s THR 151 CO 0.20 -0.04 1.00 0.54 -0.54 0.00 0.00 174.62 175.78 3fmt s ASN 152 N -0.20 0.36 0.10 3.99 2.20 -1.26 -4.79 114.94 115.35 3fmt s ASN 152 Ca -0.04 1.19 -0.15 0.00 -0.94 0.00 0.00 52.86 52.92 3fmt s ASN 152 Cb -0.03 -1.81 -0.06 0.00 -2.00 0.00 0.00 41.25 37.34 3fmt s ASN 152 CO 0.03 -4.53 1.48 0.74 -2.94 0.00 0.00 177.10 171.87 3fmt h THR 153 N -2.85 1.29 -0.48 0.54 2.02 -1.98 -2.61 112.91 108.84 3fmt h THR 153 Ca -0.55 -1.24 0.07 0.00 0.77 0.00 0.00 66.41 65.46 3fmt h THR 153 Cb 1.34 1.40 -0.06 0.00 -1.74 0.00 0.00 68.15 69.09 3fmt h THR 153 CO 0.43 0.40 0.16 1.23 0.37 0.00 0.00 175.52 178.11 3fmt h GLY 154 N 0.44 0.62 1.06 2.16 0.00 -1.96 -0.32 103.07 105.08 3fmt h GLY 154 Ca 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 3fmt h GLY 154 CO 0.04 -0.00 0.28 -0.09 0.00 0.00 0.00 176.54 176.78 3fmt h ARG 155 N 0.32 1.18 -0.46 4.80 2.43 -1.91 0.56 114.38 121.30 3fmt h ARG 155 Ca 0.23 -0.23 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 3fmt h ARG 155 Cb 0.25 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 3fmt h ARG 155 CO -0.25 0.97 0.31 0.87 -1.51 0.00 0.00 179.97 180.37 3fmt h LYS 156 N 1.15 0.29 -0.04 0.20 1.57 -0.90 -0.87 116.57 117.97 3fmt h LYS 156 Ca 0.26 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.99 3fmt h LYS 156 Cb 0.25 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3fmt h LYS 156 CO -0.02 0.19 -0.08 0.00 -0.57 0.00 0.00 179.45 178.97 3fmt h SER 158 N -0.41 0.73 -0.46 0.00 0.02 -0.02 0.98 113.55 114.39 3fmt h SER 158 Ca -0.00 0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 3fmt h SER 158 Cb 0.68 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.18 3fmt h SER 158 CO 0.02 0.22 -0.04 0.24 -1.14 0.00 0.00 176.83 176.13 3fmt h MET 159 N 0.69 0.85 -0.43 3.45 2.07 -1.18 0.78 114.93 121.16 3fmt h MET 159 Ca 0.59 -0.29 -0.10 0.00 -2.07 0.00 0.00 59.70 57.83 3fmt h MET 159 Cb 1.02 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.67 3fmt h MET 159 CO -0.40 0.92 -0.13 0.82 1.07 0.00 0.00 176.91 179.19 3fmt h ILE 160 N 0.69 1.27 -0.01 -1.22 1.08 -0.67 -2.18 117.51 116.48 3fmt h ILE 160 Ca 0.13 -1.25 0.03 0.00 -0.39 0.00 0.00 64.86 63.37 3fmt h ILE 160 Cb 0.56 1.19 -0.06 0.00 -3.07 0.00 0.00 36.82 35.45 3fmt h ILE 160 CO 0.03 0.42 -0.47 -0.08 -0.69 0.00 0.00 178.15 177.37 3fmt h GLU 161 N 0.67 -0.59 0.26 2.37 4.81 0.12 0.12 114.58 122.34 3fmt h GLU 161 Ca 0.10 0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3fmt h GLU 161 Cb 0.67 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.16 3fmt h GLU 161 CO 0.05 -0.39 -0.42 1.25 -0.73 0.00 0.00 179.01 178.76 3fmt h HIS 162 N -0.61 -1.20 -0.96 0.92 2.76 -0.81 0.49 115.15 115.74 3fmt h HIS 162 Ca 0.04 0.02 0.18 0.00 -2.20 0.00 0.00 60.37 58.41 3fmt h HIS 162 Cb 0.68 0.49 -0.10 0.00 1.55 0.00 0.00 27.41 30.03 3fmt h HIS 162 CO -0.46 -0.52 0.56 0.82 -1.30 0.00 0.00 177.93 177.03 3fmt h ILE 163 N -0.72 0.70 0.01 6.26 2.04 -1.25 0.21 117.51 124.76 3fmt h ILE 163 Ca -0.03 -0.25 -0.26 0.00 1.00 0.00 0.00 64.86 65.33 3fmt h ILE 163 Cb 0.67 -0.08 0.02 0.00 -0.74 0.00 0.00 36.82 36.69 3fmt h ILE 163 CO -0.14 0.13 -1.02 0.24 0.00 0.00 0.00 178.15 177.37 3fmt h MET 164 N 0.72 0.67 -0.79 2.37 2.86 -0.36 -2.12 114.93 118.27 3fmt h MET 164 Ca 0.55 -0.73 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3fmt h MET 164 Cb 0.84 0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.67 3fmt h MET 164 CO -0.38 1.31 0.51 0.37 1.06 0.00 0.00 176.91 179.78 3fmt h GLN 165 N 0.33 1.05 0.00 1.72 4.15 0.87 -2.25 115.11 120.98 3fmt h GLN 165 Ca -0.13 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 59.12 3fmt h GLN 165 Cb 1.68 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 29.12 3fmt h GLN 165 CO 0.20 0.71 -0.46 1.03 -1.93 0.00 0.00 178.83 178.38 3fmt h SER 166 N 1.08 0.00 -0.33 -0.69 0.87 -0.58 -3.05 113.55 110.85 3fmt h SER 166 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 3fmt h SER 166 Cb -0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3fmt h SER 166 CO -0.06 0.46 0.00 0.23 -0.53 0.00 0.00 176.83 176.93 3fmt n MET 167 N -3.50 3.23 -3.27 2.24 2.81 -0.80 -4.90 117.12 112.93 3fmt n MET 167 Ca 0.00 -1.81 -0.17 0.00 -1.81 0.00 0.00 57.70 53.92 3fmt n MET 167 Cb 0.58 -1.93 0.07 0.00 -0.71 0.00 0.00 33.22 31.22 3fmt n MET 167 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3fmt n GLN 168 N 0.37 -5.88 -3.50 0.03 6.02 -1.15 -5.01 117.38 108.26 3fmt n GLN 168 Ca 0.16 0.67 -0.38 0.00 -0.01 0.00 0.00 57.00 57.44 3fmt n GLN 168 Cb 0.79 -5.20 -0.06 0.00 1.02 0.00 0.00 30.24 26.79 3fmt n GLN 168 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3fmt s PHE 169 N -3.27 3.67 0.34 1.08 0.08 -1.01 -5.00 117.98 113.87 3fmt s PHE 169 Ca 0.25 0.92 -0.27 0.00 0.12 0.00 0.00 56.93 57.94 3fmt s PHE 169 Cb -0.11 -2.31 -0.13 0.00 -0.57 0.00 0.00 43.02 39.90 3fmt s PHE 169 CO 0.58 0.55 1.14 -0.35 -0.10 0.00 0.00 175.22 177.04 3fmt n PRO 170 N 2.24 1.71 -0.02 0.24 -0.04 -1.26 -4.77 135.00 133.10 3fmt n PRO 170 Ca -0.13 0.60 -0.09 0.00 -0.04 0.00 0.00 63.50 63.84 3fmt n PRO 170 Cb 0.52 -2.10 -0.02 0.00 -0.04 0.00 0.00 33.50 31.86 3fmt n PRO 170 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3fmt h ALA 171 N 2.17 -0.10 -0.34 0.55 0.00 -1.99 -2.83 119.26 116.71 3fmt h ALA 171 Ca -0.43 0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.61 3fmt h ALA 171 Cb 1.31 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 19.42 3fmt h ALA 171 CO 0.61 -0.63 -0.14 0.93 0.00 0.00 0.00 179.25 180.01 3fmt h GLU 172 N -0.22 -0.08 -0.69 0.00 5.08 -2.00 -1.64 114.58 115.03 3fmt h GLU 172 Ca 0.11 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.53 3fmt h GLU 172 Cb 0.39 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 3fmt h GLU 172 CO -0.30 -0.05 0.39 1.25 -1.00 0.00 0.00 179.01 179.30 3fmt h LEU 173 N -0.08 0.60 -0.46 1.33 5.85 -1.90 -1.54 115.31 119.12 3fmt h LEU 173 Ca 0.17 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.99 3fmt h LEU 173 Cb 0.34 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3fmt h LEU 173 CO -0.40 0.39 0.08 0.40 -0.34 0.00 0.00 178.44 178.58 3fmt h ILE 174 N 0.73 0.74 -0.92 4.05 2.04 -1.09 -0.48 117.51 122.59 3fmt h ILE 174 Ca 0.30 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 66.11 3fmt h ILE 174 Cb 0.16 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3fmt h ILE 174 CO -0.17 0.04 0.60 -0.33 0.00 0.00 0.00 178.15 178.29 3fmt h GLU 175 N 0.22 1.17 0.24 2.37 4.39 -0.68 -0.35 114.58 121.93 3fmt h GLU 175 Ca 0.23 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3fmt h GLU 175 Cb 0.30 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3fmt h GLU 175 CO -0.30 0.78 -0.11 0.87 -1.16 0.00 0.00 179.01 179.08 3fmt h LYS 176 N 1.21 -0.30 -0.42 2.33 1.57 -0.57 -1.42 116.57 118.97 3fmt h LYS 176 Ca 0.35 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.22 3fmt h LYS 176 Cb -0.09 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.23 3fmt h LYS 176 CO -0.09 -0.11 0.04 0.28 -0.57 0.00 0.00 179.45 179.00 3fmt h VAL 177 N -0.44 0.73 0.00 0.50 2.07 -0.87 -1.31 116.25 116.93 3fmt h VAL 177 Ca -0.03 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3fmt h VAL 177 Cb 0.33 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3fmt h VAL 177 CO 0.05 0.03 -0.13 0.00 0.02 0.00 0.00 177.57 177.54 3fmt h GLY 179 N 1.30 0.00 1.18 0.00 0.00 -0.10 -3.15 103.07 102.30 3fmt h GLY 179 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fmt h GLY 179 CO 0.02 0.00 -0.68 -0.91 0.00 0.00 0.00 176.54 174.96 3fmt h THR 180 N 0.00 0.00 0.00 4.70 1.35 -1.22 -3.51 112.91 114.23 3fmt h THR 180 Ca -0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3fmt h THR 180 Cb 0.85 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3fmt h THR 180 CO 0.05 0.00 0.00 -0.38 -0.25 0.00 0.00 175.52 174.94