#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu2 s GLN 24 N 0.00 3.67 -0.05 1.61 -2.07 -1.26 -5.04 119.66 116.52 1nu2 s GLN 24 Ca 0.00 0.29 -0.30 0.00 -1.82 0.00 0.00 55.36 53.53 1nu2 s GLN 24 Cb 0.00 -2.43 -0.03 0.00 -1.09 0.00 0.00 33.01 29.46 1nu2 s GLN 24 CO 0.00 -0.05 1.07 0.34 -1.32 0.00 0.00 175.29 175.33 1nu2 s ASP 25 N -3.51 7.21 -0.26 12.60 2.15 -1.26 -4.93 116.67 128.66 1nu2 s ASP 25 Ca 0.48 1.69 0.10 0.00 0.43 0.00 0.00 52.55 55.26 1nu2 s ASP 25 Cb -0.10 -2.56 0.47 0.00 -0.30 0.00 0.00 42.92 40.43 1nu2 s ASP 25 CO 0.36 -0.44 1.37 0.54 -0.17 0.00 0.00 175.17 176.84 1nu2 n ARG 26 N 4.65 1.75 -1.16 4.34 1.74 -1.26 -4.74 116.66 121.98 1nu2 n ARG 26 Ca 0.09 -3.22 -0.32 0.00 -0.77 0.00 0.00 57.85 53.63 1nu2 n ARG 26 Cb 0.48 -1.74 0.11 0.00 -1.02 0.00 0.00 32.46 30.29 1nu2 n ARG 26 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1nu2 s SER 27 N -2.79 4.02 0.14 0.55 1.04 -1.26 -4.74 113.70 110.66 1nu2 s SER 27 Ca 0.42 2.03 -0.18 0.00 0.48 0.00 0.00 55.95 58.71 1nu2 s SER 27 Cb 0.39 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.98 1nu2 s SER 27 CO -0.03 -2.37 1.74 -0.08 0.98 0.00 0.00 173.24 173.48 1nu2 h GLU 28 N -1.12 0.17 -0.85 4.02 4.81 -1.99 -0.20 114.58 119.42 1nu2 h GLU 28 Ca -0.44 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1nu2 h GLU 28 Cb 1.25 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.55 1nu2 h GLU 28 CO 0.48 0.11 0.50 0.00 -0.73 0.00 0.00 179.01 179.37 1nu2 h ALA 29 N 1.21 1.28 -0.22 2.92 0.00 -2.00 -0.75 119.26 121.70 1nu2 h ALA 29 Ca 0.13 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1nu2 h ALA 29 Cb 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1nu2 h ALA 29 CO -0.17 0.61 -0.14 1.15 0.00 0.00 0.00 179.25 180.70 1nu2 h THR 30 N 1.17 1.31 -0.79 0.00 2.02 -1.82 -2.70 112.91 112.12 1nu2 h THR 30 Ca 0.30 -1.24 0.01 0.00 0.77 0.00 0.00 66.41 66.25 1nu2 h THR 30 Cb -0.03 1.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1nu2 h THR 30 CO -0.05 0.38 0.51 -0.07 0.37 0.00 0.00 175.52 176.66 1nu2 h LEU 31 N 0.18 0.91 -0.34 2.58 3.38 -0.75 0.10 115.31 121.37 1nu2 h LEU 31 Ca 0.05 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.02 1nu2 h LEU 31 Cb 0.65 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1nu2 h LEU 31 CO 0.04 0.67 0.15 0.40 0.09 0.00 0.00 178.44 179.78 1nu2 h ILE 32 N 1.07 0.95 -0.22 1.22 2.04 -1.06 0.37 117.51 121.87 1nu2 h ILE 32 Ca 0.29 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.97 1nu2 h ILE 32 Cb -0.11 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1nu2 h ILE 32 CO -0.06 0.06 -0.16 0.11 0.00 0.00 0.00 178.15 178.10 1nu2 h LYS 33 N 0.31 0.37 -0.35 2.37 1.57 -1.12 -1.77 116.57 117.95 1nu2 h LYS 33 Ca 0.15 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1nu2 h LYS 33 Cb 0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1nu2 h LYS 33 CO -0.13 0.53 0.05 -0.09 -0.57 0.00 0.00 179.45 179.25 1nu2 h ARG 34 N 0.35 0.58 -0.00 3.15 2.43 0.20 -3.29 114.38 117.80 1nu2 h ARG 34 Ca 0.06 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1nu2 h ARG 34 Cb 0.48 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1nu2 h ARG 34 CO 0.03 0.66 -0.55 1.19 -1.51 0.00 0.00 179.97 179.79 1nu2 n PHE 35 N -4.57 0.00 -1.85 2.20 0.99 0.00 -3.75 117.46 110.48 1nu2 n PHE 35 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 57.45 57.10 1nu2 n PHE 35 Cb 0.23 -0.14 0.04 0.00 -1.00 0.00 0.00 39.48 38.61 1nu2 n PHE 35 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.76 175.17 1nu2 s LYS 36 N -2.82 2.92 7.69 -1.08 -2.85 -0.68 -2.19 119.74 120.73 1nu2 s LYS 36 Ca 0.14 1.40 0.00 0.00 -1.00 0.00 0.00 55.97 56.52 1nu2 s LYS 36 Cb 0.18 -1.97 0.00 0.00 -2.06 0.00 0.00 37.83 33.98 1nu2 s LYS 36 CO 0.68 -1.16 0.00 0.41 0.10 0.00 0.00 175.35 175.39 1nu2 n GLY 37 N -0.47 3.15 0.26 0.59 0.00 -1.26 -1.86 105.19 105.60 1nu2 n GLY 37 Ca 0.10 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1nu2 n GLY 37 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1nu2 h GLU 38 N 0.00 0.00 0.00 1.61 5.08 -1.95 -3.43 114.58 115.89 1nu2 h GLU 38 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nu2 h GLU 38 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1nu2 h GLU 38 CO 0.00 0.10 0.00 0.41 -1.00 0.00 0.00 179.01 178.52 1nu2 n GLY 39 N -0.21 0.33 3.73 -3.84 0.00 -0.78 -4.54 105.19 99.88 1nu2 n GLY 39 Ca -0.00 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 1nu2 n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nu2 s VAL 40 N 0.00 5.39 -0.11 1.61 1.01 0.05 -4.90 120.40 123.44 1nu2 s VAL 40 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 1nu2 s VAL 40 Cb 0.00 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1nu2 s VAL 40 CO 0.00 0.43 -0.05 -0.60 0.00 0.00 0.00 175.10 174.88 1nu2 s ARG 41 N 0.37 3.21 -0.02 2.72 3.52 -1.26 -0.94 118.95 126.56 1nu2 s ARG 41 Ca 0.10 -0.52 0.05 0.00 -0.13 0.00 0.00 55.73 55.22 1nu2 s ARG 41 Cb -0.11 -2.76 -0.01 0.00 -1.56 0.00 0.00 34.95 30.51 1nu2 s ARG 41 CO -0.01 0.47 -0.16 0.71 -0.81 0.00 0.00 175.30 175.50 1nu2 s TYR 42 N -0.26 1.45 0.21 5.12 1.51 0.33 -4.97 117.35 120.74 1nu2 s TYR 42 Ca 0.04 -0.30 -0.27 0.00 -1.01 0.00 0.00 57.07 55.54 1nu2 s TYR 42 Cb -0.13 -0.94 -0.09 0.00 -0.11 0.00 0.00 41.96 40.69 1nu2 s TYR 42 CO 0.02 -0.05 0.85 0.21 -1.11 0.00 0.00 175.55 175.48 1nu2 s LYS 43 N -0.30 4.66 0.03 -0.62 2.20 -1.26 -0.85 119.74 123.60 1nu2 s LYS 43 Ca 0.04 1.28 -0.04 0.00 -0.36 0.00 0.00 55.97 56.89 1nu2 s LYS 43 Cb -0.07 -3.20 0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1nu2 s LYS 43 CO -0.00 0.52 0.20 0.00 -0.36 0.00 0.00 175.35 175.71 1nu2 n ALA 44 N 1.41 -0.53 -2.78 3.13 0.00 -0.49 -1.84 120.51 119.40 1nu2 n ALA 44 Ca -0.03 -0.19 -0.15 0.00 0.00 0.00 0.00 53.44 53.06 1nu2 n ALA 44 Cb 0.48 0.10 -0.14 0.00 0.00 0.00 0.00 19.45 19.90 1nu2 n ALA 44 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1nu2 s LYS 45 N -2.01 0.43 -0.24 0.00 1.02 -0.06 -0.56 119.74 118.33 1nu2 s LYS 45 Ca 0.05 -0.29 -0.26 0.00 0.02 0.00 0.00 55.97 55.49 1nu2 s LYS 45 Cb -0.01 -0.37 0.00 0.00 -0.52 0.00 0.00 37.83 36.93 1nu2 s LYS 45 CO 0.01 0.10 0.91 -1.17 -0.92 0.00 0.00 175.35 174.28 1nu2 s LEU 46 N -0.39 4.09 -0.05 3.17 2.96 -0.48 -0.84 118.68 127.14 1nu2 s LEU 46 Ca -0.00 1.17 -0.24 0.00 -0.22 0.00 0.00 54.13 54.84 1nu2 s LEU 46 Cb -0.03 -3.32 -0.25 0.00 0.50 0.00 0.00 46.19 43.08 1nu2 s LEU 46 CO -0.00 -0.57 0.99 0.40 -1.32 0.00 0.00 176.35 175.85 1nu2 h ILE 47 N 5.43 1.55 0.00 6.68 2.04 -1.29 -3.34 117.51 128.58 1nu2 h ILE 47 Ca -0.22 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.53 1nu2 h ILE 47 Cb 1.08 2.87 0.00 0.00 -0.74 0.00 0.00 36.82 40.04 1nu2 h ILE 47 CO 0.91 0.59 0.00 0.61 0.00 0.00 0.00 178.15 180.26 1nu2 n GLY 48 N 1.21 0.69 3.04 5.37 0.00 -1.16 -4.83 105.19 109.51 1nu2 n GLY 48 Ca -0.11 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.45 1nu2 n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nu2 s ILE 49 N -2.00 1.33 0.04 -0.61 1.01 -1.26 -0.99 121.20 118.72 1nu2 s ILE 49 Ca 0.00 -0.56 0.09 0.00 0.00 0.00 0.00 60.65 60.17 1nu2 s ILE 49 Cb 0.00 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 1nu2 s ILE 49 CO 0.00 0.40 -0.25 -0.62 0.00 0.00 0.00 174.94 174.47 1nu2 s ASP 50 N 0.83 3.04 -0.03 3.58 3.68 0.06 -4.95 116.67 122.88 1nu2 s ASP 50 Ca -0.11 -0.57 -0.25 0.00 2.13 0.00 0.00 52.55 53.76 1nu2 s ASP 50 Cb -0.15 -0.28 -0.04 0.00 -1.45 0.00 0.00 42.92 41.00 1nu2 s ASP 50 CO 0.01 0.25 0.76 -1.61 0.13 0.00 0.00 175.17 174.71 1nu2 s GLU 51 N -1.17 4.47 0.19 4.34 2.02 -1.26 0.85 118.70 128.14 1nu2 s GLU 51 Ca 0.11 1.00 0.09 0.00 0.02 0.00 0.00 54.97 56.20 1nu2 s GLU 51 Cb -0.10 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1nu2 s GLU 51 CO 0.02 0.09 -0.19 0.14 0.02 0.00 0.00 175.26 175.34 1nu2 s VAL 52 N 0.65 2.00 -0.82 2.63 -7.23 -0.38 -4.88 120.40 112.37 1nu2 s VAL 52 Ca 0.40 -2.06 0.27 0.00 -1.81 0.00 0.00 61.98 58.78 1nu2 s VAL 52 Cb -0.19 -2.00 0.24 0.00 0.56 0.00 0.00 36.38 34.99 1nu2 s VAL 52 CO 0.21 -0.34 1.76 -1.54 -0.31 0.00 0.00 175.10 174.88 1nu2 n SER 53 N 0.04 0.53 -4.20 4.85 3.41 -1.26 -4.14 113.62 112.85 1nu2 n SER 53 Ca -0.11 0.47 -0.17 0.00 -0.26 0.00 0.00 58.87 58.79 1nu2 n SER 53 Cb 0.58 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 63.87 1nu2 n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nu2 s ALA 54 N -3.07 1.83 -0.91 7.33 0.00 -1.26 -4.91 121.76 120.77 1nu2 s ALA 54 Ca 0.11 -1.81 0.26 0.00 0.00 0.00 0.00 51.96 50.52 1nu2 s ALA 54 Cb 0.15 1.08 0.64 0.00 0.00 0.00 0.00 23.12 24.99 1nu2 s ALA 54 CO 0.59 -0.47 1.52 0.00 0.00 0.00 0.00 175.76 177.40 1nu2 n ALA 55 N -0.51 3.10 -3.83 0.00 0.00 -1.26 -4.83 120.51 113.17 1nu2 n ALA 55 Ca 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 53.44 53.11 1nu2 n ALA 55 Cb 0.66 -1.22 -0.00 0.00 0.00 0.00 0.00 19.45 18.89 1nu2 n ALA 55 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1nu2 s ARG 56 N -3.04 1.92 0.00 0.00 1.70 -1.26 -4.02 118.95 114.25 1nu2 s ARG 56 Ca 0.11 -1.15 0.00 0.00 -0.47 0.00 0.00 55.73 54.22 1nu2 s ARG 56 Cb 0.17 0.60 0.00 0.00 -0.57 0.00 0.00 34.95 35.14 1nu2 s ARG 56 CO 0.66 -0.89 0.00 0.41 -1.08 0.00 0.00 175.30 174.41 1nu2 n GLY 57 N -0.50 3.76 0.09 3.88 0.00 -1.26 -4.81 105.19 106.36 1nu2 n GLY 57 Ca -0.06 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.97 1nu2 n GLY 57 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1nu2 h ASP 58 N 0.00 -0.12 -0.50 1.61 3.58 -1.99 -1.87 116.42 117.12 1nu2 h ASP 58 Ca 0.00 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 1nu2 h ASP 58 Cb 0.00 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 1nu2 h ASP 58 CO 0.00 -0.08 0.25 0.50 -2.88 0.00 0.00 179.24 177.02 1nu2 h LYS 59 N -0.13 0.72 -0.53 0.28 1.63 -1.99 -1.30 116.57 115.25 1nu2 h LYS 59 Ca -0.01 -0.10 0.09 0.00 -0.85 0.00 0.00 60.65 59.78 1nu2 h LYS 59 Cb 0.11 -0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 31.53 1nu2 h LYS 59 CO 0.01 0.59 0.11 1.25 -3.45 0.00 0.00 179.45 177.96 1nu2 h LEU 60 N 0.66 0.01 -0.28 5.20 5.85 -1.83 -0.37 115.31 124.54 1nu2 h LEU 60 Ca 0.17 0.10 -0.20 0.00 0.84 0.00 0.00 57.88 58.79 1nu2 h LEU 60 Cb 0.11 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1nu2 h LEU 60 CO -0.02 0.03 -0.67 0.00 -0.34 0.00 0.00 178.44 177.43 1nu2 h GLN 62 N 0.53 0.98 -0.66 0.00 5.75 -0.86 0.80 115.11 121.66 1nu2 h GLN 62 Ca -0.02 -0.31 -0.08 0.00 -0.15 0.00 0.00 58.65 58.08 1nu2 h GLN 62 Cb 1.28 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.71 1nu2 h GLN 62 CO 0.14 0.98 0.08 -0.44 -2.65 0.00 0.00 178.83 176.94 1nu2 h ASP 63 N 0.90 1.07 -0.49 -0.69 3.32 -1.08 -1.15 116.42 118.30 1nu2 h ASP 63 Ca 0.16 -0.27 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 1nu2 h ASP 63 Cb 0.56 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1nu2 h ASP 63 CO 0.03 1.07 -0.10 -1.28 -1.72 0.00 0.00 179.24 177.24 1nu2 h SER 64 N 1.03 0.93 -0.27 6.45 0.87 -1.09 -2.00 113.55 119.48 1nu2 h SER 64 Ca 0.20 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1nu2 h SER 64 Cb 0.47 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1nu2 h SER 64 CO 0.02 1.07 0.14 -0.03 -0.53 0.00 0.00 176.83 177.50 1nu2 h MET 65 N 0.78 0.37 -0.99 2.24 1.85 -0.63 -0.96 114.93 117.60 1nu2 h MET 65 Ca 0.13 -0.05 0.04 0.00 -0.61 0.00 0.00 59.70 59.21 1nu2 h MET 65 Cb 0.65 -0.07 -0.06 0.00 0.43 0.00 0.00 31.60 32.55 1nu2 h MET 65 CO 0.04 0.34 0.65 1.98 -0.40 0.00 0.00 176.91 179.53 1nu2 h MET 66 N 0.31 1.20 0.05 0.39 -1.53 -1.10 -0.02 114.93 114.23 1nu2 h MET 66 Ca 0.09 -0.07 -0.00 0.00 -3.44 0.00 0.00 59.70 56.28 1nu2 h MET 66 Cb 0.08 -0.27 0.00 0.00 -0.55 0.00 0.00 31.60 30.86 1nu2 h MET 66 CO -0.01 0.79 -0.02 -0.22 0.14 0.00 0.00 176.91 177.59 1nu2 h LYS 67 N 1.24 -0.06 -1.00 0.39 3.64 -0.98 -0.60 116.57 119.20 1nu2 h LYS 67 Ca 0.40 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.80 1nu2 h LYS 67 Cb 0.03 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 1nu2 h LYS 67 CO -0.13 0.25 0.66 -0.07 -2.27 0.00 0.00 179.45 177.89 1nu2 h LEU 68 N -0.37 1.14 -0.84 5.20 3.38 -0.89 -1.11 115.31 121.81 1nu2 h LEU 68 Ca -0.01 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.83 1nu2 h LEU 68 Cb 0.34 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1nu2 h LEU 68 CO 0.01 0.82 -0.29 0.11 0.09 0.00 0.00 178.44 179.18 1nu2 h LYS 69 N 1.34 0.53 -0.89 1.13 1.57 -0.94 -1.43 116.57 117.88 1nu2 h LYS 69 Ca 0.37 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 1nu2 h LYS 69 Cb -0.13 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.10 1nu2 h LYS 69 CO -0.09 0.77 0.58 0.78 -0.57 0.00 0.00 179.45 180.92 1nu2 h GLY 70 N 1.03 1.29 0.91 3.86 0.00 0.08 0.13 103.07 110.35 1nu2 h GLY 70 Ca 0.06 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 1nu2 h GLY 70 CO 0.06 0.38 0.03 -2.08 0.00 0.00 0.00 176.54 174.93 1nu2 h VAL 71 N 1.12 1.25 -0.53 4.60 2.07 -0.83 -1.95 116.25 121.99 1nu2 h VAL 71 Ca 0.35 -0.90 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1nu2 h VAL 71 Cb -0.01 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1nu2 h VAL 71 CO -0.11 0.30 0.29 0.58 0.02 0.00 0.00 177.57 178.64 1nu2 h VAL 72 N 0.40 0.99 -0.88 2.57 2.07 -0.52 -1.20 116.25 119.67 1nu2 h VAL 72 Ca 0.10 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1nu2 h VAL 72 Cb 0.41 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1nu2 h VAL 72 CO 0.01 0.10 0.49 0.00 0.02 0.00 0.00 177.57 178.19 1nu2 h ALA 73 N 1.27 1.19 -0.20 1.67 0.00 -0.62 0.42 119.26 123.00 1nu2 h ALA 73 Ca 0.23 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1nu2 h ALA 73 Cb 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1nu2 h ALA 73 CO -0.14 0.65 -0.23 0.78 0.00 0.00 0.00 179.25 180.31 1nu2 h GLY 74 N 1.24 0.38 1.79 0.00 0.00 -0.63 -1.96 103.07 103.89 1nu2 h GLY 74 Ca 0.31 -0.29 -0.23 0.00 0.00 0.00 0.00 47.33 47.12 1nu2 h GLY 74 CO -0.05 0.26 -1.06 0.00 0.00 0.00 0.00 176.54 175.69 1nu2 h ALA 75 N 1.45 0.30 -0.19 3.60 0.00 -0.67 -3.22 119.26 120.52 1nu2 h ALA 75 Ca 0.05 -0.84 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 1nu2 h ALA 75 Cb 0.58 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nu2 h ALA 75 CO 0.04 1.04 -0.28 -0.09 0.00 0.00 0.00 179.25 179.96 1nu2 h ARG 76 N 0.06 0.37 0.00 0.00 9.65 -0.67 0.16 114.38 123.96 1nu2 h ARG 76 Ca -0.07 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.67 1nu2 h ARG 76 Cb 1.77 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.33 1nu2 h ARG 76 CO 0.16 0.62 0.00 0.66 2.80 0.00 0.00 179.97 184.21 1nu2 h SER 77 N 0.33 0.00 -0.59 -3.80 4.64 -1.37 0.86 113.55 113.61 1nu2 h SER 77 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1nu2 h SER 77 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1nu2 h SER 77 CO 0.05 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 1nu2 n LYS 78 N -2.91 3.33 -0.95 4.77 5.02 -0.46 -4.94 118.16 122.02 1nu2 n LYS 78 Ca -0.01 -2.71 0.00 0.00 -2.02 0.00 0.00 58.31 53.57 1nu2 n LYS 78 Cb 0.20 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 1nu2 n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nu2 n GLY 79 N 1.01 0.44 3.93 0.72 0.00 0.30 -5.06 105.19 106.53 1nu2 n GLY 79 Ca 0.23 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 1nu2 n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nu2 s GLU 80 N -1.41 3.26 0.07 1.61 2.02 0.45 -4.95 118.70 119.74 1nu2 s GLU 80 Ca 0.00 -0.12 0.02 0.00 0.02 0.00 0.00 54.97 54.89 1nu2 s GLU 80 Cb 0.00 -2.45 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 1nu2 s GLU 80 CO 0.00 -0.28 -0.08 -1.01 0.02 0.00 0.00 175.26 173.92 1nu2 s HIS 81 N -2.68 0.79 0.46 1.61 3.76 -1.26 -4.02 115.29 113.95 1nu2 s HIS 81 Ca 0.48 -0.65 -0.23 0.00 -0.15 0.00 0.00 55.06 54.51 1nu2 s HIS 81 Cb -0.10 -0.46 -0.08 0.00 1.11 0.00 0.00 32.58 33.05 1nu2 s HIS 81 CO 0.42 -0.09 1.14 0.15 -0.85 0.00 0.00 174.74 175.50 1nu2 s LYS 82 N -2.42 3.80 0.23 1.40 1.02 -1.26 -4.96 119.74 117.54 1nu2 s LYS 82 Ca -0.01 1.71 -0.30 0.00 0.02 0.00 0.00 55.97 57.38 1nu2 s LYS 82 Cb -0.04 -2.39 -0.10 0.00 -0.52 0.00 0.00 37.83 34.77 1nu2 s LYS 82 CO -0.01 -0.50 1.45 -1.14 -0.92 0.00 0.00 175.35 174.22 1nu2 s GLN 83 N -2.72 4.27 -0.04 1.68 0.74 -1.26 -4.84 119.66 117.50 1nu2 s GLN 83 Ca 0.63 2.28 -0.28 0.00 0.05 0.00 0.00 55.36 58.04 1nu2 s GLN 83 Cb -0.27 -3.13 -0.03 0.00 1.10 0.00 0.00 33.01 30.69 1nu2 s GLN 83 CO 0.33 -0.43 0.93 0.15 -0.55 0.00 0.00 175.29 175.71 1nu2 s LYS 84 N -0.08 4.49 0.31 1.67 1.02 -1.26 -1.38 119.74 124.51 1nu2 s LYS 84 Ca 0.61 1.29 0.06 0.00 0.02 0.00 0.00 55.97 57.95 1nu2 s LYS 84 Cb -0.41 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.38 1nu2 s LYS 84 CO 0.41 -0.10 0.26 0.96 -0.92 0.00 0.00 175.35 175.96 1nu2 s ILE 85 N 1.25 0.00 -0.04 2.17 -4.36 0.28 -1.77 121.20 118.72 1nu2 s ILE 85 Ca 0.48 -1.99 -0.02 0.00 -0.26 0.00 0.00 60.65 58.86 1nu2 s ILE 85 Cb -0.20 -2.50 0.03 0.00 1.25 0.00 0.00 42.46 41.04 1nu2 s ILE 85 CO 0.23 0.00 0.09 0.72 0.24 0.00 0.00 174.94 176.22 1nu2 s PHE 86 N -3.54 -0.08 0.09 1.37 -0.12 -0.65 -1.40 117.98 113.65 1nu2 s PHE 86 Ca 0.40 0.31 0.07 0.00 -0.05 0.00 0.00 56.93 57.66 1nu2 s PHE 86 Cb 0.03 -0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1nu2 s PHE 86 CO 0.25 -0.12 -0.11 -0.48 -0.05 0.00 0.00 175.22 174.72 1nu2 s LEU 87 N 0.93 3.00 0.12 -1.99 2.34 -0.03 -0.86 118.68 122.18 1nu2 s LEU 87 Ca -0.07 -0.39 0.11 0.00 0.06 0.00 0.00 54.13 53.84 1nu2 s LEU 87 Cb -0.10 -1.79 -0.04 0.00 -0.56 0.00 0.00 46.19 43.70 1nu2 s LEU 87 CO -0.04 0.19 -0.26 0.42 -1.06 0.00 0.00 176.35 175.60 1nu2 s THR 88 N -1.18 2.20 -0.19 5.48 -4.23 -0.11 -0.52 115.64 117.09 1nu2 s THR 88 Ca 0.20 -1.69 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 1nu2 s THR 88 Cb -0.11 -1.94 0.03 0.00 1.34 0.00 0.00 72.50 71.82 1nu2 s THR 88 CO 0.13 0.12 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.51 1nu2 s ILE 89 N -1.03 2.04 0.28 2.99 1.01 -0.12 -1.79 121.20 124.57 1nu2 s ILE 89 Ca 0.13 -1.03 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 1nu2 s ILE 89 Cb -0.10 -1.90 0.02 0.00 0.01 0.00 0.00 42.46 40.49 1nu2 s ILE 89 CO 0.05 0.44 0.44 -1.54 0.00 0.00 0.00 174.94 174.33 1nu2 n SER 90 N 4.60 -1.24 0.13 3.58 3.41 -0.53 -0.77 113.62 122.80 1nu2 n SER 90 Ca -0.20 -2.39 0.10 0.00 -0.26 0.00 0.00 58.87 56.12 1nu2 n SER 90 Cb 0.49 2.22 0.48 0.00 -0.26 0.00 0.00 64.21 67.14 1nu2 n SER 90 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1nu2 n PHE 91 N -0.44 0.64 1.50 7.33 3.01 -0.93 0.00 117.46 128.58 1nu2 n PHE 91 Ca -0.01 0.31 0.10 0.00 1.01 0.00 0.00 57.45 58.85 1nu2 n PHE 91 Cb 0.45 -0.99 0.43 0.00 -0.01 0.00 0.00 39.48 39.37 1nu2 n PHE 91 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nu2 n GLY 92 N -0.87 -0.17 2.27 1.37 0.00 -1.26 -4.68 105.19 101.84 1nu2 n GLY 92 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1nu2 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nu2 n GLY 93 N 1.01 0.57 3.50 -0.02 0.00 0.10 -4.19 105.19 106.16 1nu2 n GLY 93 Ca 0.15 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 1nu2 n GLY 93 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nu2 s ILE 94 N 0.00 4.13 -0.04 -0.61 1.01 -0.41 -1.45 121.20 123.83 1nu2 s ILE 94 Ca 0.00 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.45 1nu2 s ILE 94 Cb 0.00 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 1nu2 s ILE 94 CO 0.00 0.45 -0.23 -0.54 0.00 0.00 0.00 174.94 174.63 1nu2 s LYS 95 N 0.67 2.10 -0.18 2.79 1.02 -0.74 -0.77 119.74 124.62 1nu2 s LYS 95 Ca -0.00 -0.81 -0.02 0.00 0.02 0.00 0.00 55.97 55.16 1nu2 s LYS 95 Cb -0.14 -1.88 -0.00 0.00 -0.52 0.00 0.00 37.83 35.28 1nu2 s LYS 95 CO 0.02 0.41 -0.11 0.42 -0.92 0.00 0.00 175.35 175.17 1nu2 s ILE 96 N -0.29 2.99 0.02 2.17 1.01 0.41 -0.93 121.20 126.57 1nu2 s ILE 96 Ca 0.02 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.08 1nu2 s ILE 96 Cb -0.11 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 1nu2 s ILE 96 CO 0.01 0.48 -0.13 -0.36 0.00 0.00 0.00 174.94 174.94 1nu2 s PHE 97 N 1.05 2.69 0.06 3.97 0.40 -0.04 -0.17 117.98 125.95 1nu2 s PHE 97 Ca -0.00 -0.17 -0.31 0.00 -0.60 0.00 0.00 56.93 55.85 1nu2 s PHE 97 Cb -0.15 -1.53 -0.06 0.00 0.51 0.00 0.00 43.02 41.80 1nu2 s PHE 97 CO -0.02 0.29 1.24 0.34 0.70 0.00 0.00 175.22 177.77 1nu2 s ASP 98 N -1.39 7.03 0.10 1.36 -1.08 -0.07 -1.63 116.67 120.98 1nu2 s ASP 98 Ca 0.15 2.05 -0.18 0.00 -0.52 0.00 0.00 52.55 54.05 1nu2 s ASP 98 Cb -0.11 -2.58 -0.06 0.00 -1.46 0.00 0.00 42.92 38.71 1nu2 s ASP 98 CO 0.06 -0.52 1.60 -0.08 0.52 0.00 0.00 175.17 176.75 1nu2 h GLU 99 N 6.92 0.44 -0.58 4.34 4.81 -1.63 0.43 114.58 129.30 1nu2 h GLU 99 Ca -0.41 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1nu2 h GLU 99 Cb 1.21 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 1nu2 h GLU 99 CO 0.83 0.51 0.36 0.87 -0.73 0.00 0.00 179.01 180.85 1nu2 h LYS 100 N 0.28 0.77 0.00 1.92 1.57 -1.92 -3.28 116.57 115.91 1nu2 h LYS 100 Ca 0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1nu2 h LYS 100 Cb 0.27 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1nu2 h LYS 100 CO -0.00 0.53 -1.22 0.25 -0.57 0.00 0.00 179.45 178.44 1nu2 n THR 101 N -4.43 0.00 -0.97 -0.16 -2.24 -1.21 -5.00 114.28 100.26 1nu2 n THR 101 Ca 0.05 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1nu2 n THR 101 Cb 0.06 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1nu2 n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nu2 n GLY 102 N 1.78 0.74 3.75 3.38 0.00 0.15 -5.01 105.19 109.98 1nu2 n GLY 102 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1nu2 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nu2 s ALA 103 N -3.02 3.37 0.06 4.61 0.00 -1.24 -4.69 121.76 120.85 1nu2 s ALA 103 Ca 0.00 0.76 -0.31 0.00 0.00 0.00 0.00 51.96 52.42 1nu2 s ALA 103 Cb 0.00 -3.28 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 1nu2 s ALA 103 CO 0.00 -0.00 1.40 -1.17 0.00 0.00 0.00 175.76 175.98 1nu2 s LEU 104 N -1.21 4.35 -0.04 0.00 2.96 -1.26 -0.89 118.68 122.59 1nu2 s LEU 104 Ca 0.43 2.22 0.05 0.00 -0.22 0.00 0.00 54.13 56.61 1nu2 s LEU 104 Cb -0.29 -3.57 -0.07 0.00 0.50 0.00 0.00 46.19 42.76 1nu2 s LEU 104 CO 0.36 -0.68 0.05 0.00 -1.32 0.00 0.00 176.35 174.76 1nu2 n GLN 105 N 4.69 2.33 -3.82 1.98 6.02 0.76 -4.92 117.38 124.42 1nu2 n GLN 105 Ca 0.12 -0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.97 1nu2 n GLN 105 Cb 0.43 -1.13 -0.13 0.00 1.02 0.00 0.00 30.24 30.43 1nu2 n GLN 105 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1nu2 s HIS 106 N -2.19 -0.15 -0.11 1.08 3.76 -1.01 -4.99 115.29 111.68 1nu2 s HIS 106 Ca -0.02 0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 55.22 1nu2 s HIS 106 Cb 0.02 0.05 0.05 0.00 1.11 0.00 0.00 32.58 33.81 1nu2 s HIS 106 CO 0.21 -0.08 0.12 -1.58 -0.85 0.00 0.00 174.74 172.57 1nu2 s HIS 107 N 0.06 -0.03 -0.26 1.40 2.46 -1.26 -0.45 115.29 117.20 1nu2 s HIS 107 Ca -0.00 0.24 0.03 0.00 0.47 0.00 0.00 55.06 55.79 1nu2 s HIS 107 Cb -0.01 -0.44 0.06 0.00 -0.13 0.00 0.00 32.58 32.06 1nu2 s HIS 107 CO 0.00 -0.35 -0.10 -1.01 -2.47 0.00 0.00 174.74 170.81 1nu2 s HIS 108 N 2.23 3.17 0.75 3.88 3.76 0.05 -5.02 115.29 124.10 1nu2 s HIS 108 Ca 0.04 -2.26 -0.13 0.00 -0.15 0.00 0.00 55.06 52.55 1nu2 s HIS 108 Cb -0.13 -1.89 0.05 0.00 1.11 0.00 0.00 32.58 31.71 1nu2 s HIS 108 CO -0.07 -0.87 1.15 0.00 -0.85 0.00 0.00 174.74 174.10 1nu2 s ALA 109 N 1.13 2.11 0.25 -1.40 0.00 -1.26 -1.29 121.76 121.31 1nu2 s ALA 109 Ca -0.08 0.63 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 1nu2 s ALA 109 Cb -0.20 -3.39 0.49 0.00 0.00 0.00 0.00 23.12 20.03 1nu2 s ALA 109 CO -0.05 -1.87 1.71 0.28 0.00 0.00 0.00 175.76 175.83 1nu2 h VAL 110 N -0.67 0.58 0.00 0.00 2.07 -1.84 -0.15 116.25 116.25 1nu2 h VAL 110 Ca -0.46 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1nu2 h VAL 110 Cb 1.27 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1nu2 h VAL 110 CO 0.50 0.07 0.00 0.00 0.02 0.00 0.00 177.57 178.15 1nu2 n HIS 111 N -5.06 0.51 0.97 1.57 1.44 -1.26 -2.28 115.22 111.12 1nu2 n HIS 111 Ca 0.15 0.21 0.11 0.00 -2.01 0.00 0.00 57.72 56.18 1nu2 n HIS 111 Cb 0.46 -0.84 -0.00 0.00 0.12 0.00 0.00 29.99 29.73 1nu2 n HIS 111 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1nu2 n GLU 112 N -1.98 0.02 -3.24 -1.40 1.02 -0.08 -4.86 120.64 110.12 1nu2 n GLU 112 Ca 0.02 -0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.76 1nu2 n GLU 112 Cb 0.18 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.02 1nu2 n GLU 112 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1nu2 s ILE 113 N -3.01 5.08 -0.10 -3.67 -1.09 -0.97 -0.55 121.20 116.88 1nu2 s ILE 113 Ca 0.09 0.90 0.16 0.00 -2.23 0.00 0.00 60.65 59.56 1nu2 s ILE 113 Cb 0.16 -3.83 -0.23 0.00 -1.58 0.00 0.00 42.46 36.98 1nu2 s ILE 113 CO 0.82 0.11 0.19 -1.54 -1.23 0.00 0.00 174.94 173.29 1nu2 n SER 114 N 5.34 1.00 -3.67 3.58 3.41 0.02 -5.00 113.62 118.30 1nu2 n SER 114 Ca -0.04 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.43 1nu2 n SER 114 Cb 0.50 1.28 -0.08 0.00 -0.26 0.00 0.00 64.21 65.65 1nu2 n SER 114 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1nu2 s TYR 115 N -2.74 -0.66 -0.08 7.33 5.04 -1.22 -4.91 117.35 120.10 1nu2 s TYR 115 Ca -0.07 1.60 0.01 0.00 -2.44 0.00 0.00 57.07 56.17 1nu2 s TYR 115 Cb 0.07 0.24 -0.02 0.00 0.35 0.00 0.00 41.96 42.60 1nu2 s TYR 115 CO 0.69 -0.32 -0.12 0.42 -1.34 0.00 0.00 175.55 174.88 1nu2 s ILE 116 N 0.39 3.23 -0.02 3.14 -1.09 -1.26 -1.10 121.20 124.50 1nu2 s ILE 116 Ca -0.01 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 57.78 1nu2 s ILE 116 Cb -0.04 -2.31 0.02 0.00 -1.58 0.00 0.00 42.46 38.55 1nu2 s ILE 116 CO -0.00 0.57 0.02 0.00 -1.23 0.00 0.00 174.94 174.29 1nu2 s ALA 117 N -0.35 0.12 0.38 9.38 0.00 -0.38 -5.01 121.76 125.91 1nu2 s ALA 117 Ca 0.04 0.23 -0.10 0.00 0.00 0.00 0.00 51.96 52.13 1nu2 s ALA 117 Cb -0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 23.12 22.70 1nu2 s ALA 117 CO 0.02 -0.08 0.74 0.21 0.00 0.00 0.00 175.76 176.65 1nu2 s LYS 118 N 0.91 3.78 -0.51 0.00 2.20 -1.26 -0.81 119.74 124.04 1nu2 s LYS 118 Ca -0.08 0.43 -0.23 0.00 -0.36 0.00 0.00 55.97 55.73 1nu2 s LYS 118 Cb -0.11 -2.43 0.04 0.00 -1.51 0.00 0.00 37.83 33.82 1nu2 s LYS 118 CO -0.02 0.01 0.82 0.34 -0.36 0.00 0.00 175.35 176.14 1nu2 s ASP 119 N -3.08 6.34 0.00 1.43 -1.08 -1.00 -4.90 116.67 114.38 1nu2 s ASP 119 Ca 0.51 -0.38 0.05 0.00 -0.52 0.00 0.00 52.55 52.20 1nu2 s ASP 119 Cb -0.10 -2.39 0.19 0.00 -1.46 0.00 0.00 42.92 39.16 1nu2 s ASP 119 CO 0.30 -1.05 1.14 2.30 0.52 0.00 0.00 175.17 178.37 1nu2 n ILE 120 N 6.06 1.66 0.72 4.11 -6.64 -1.26 -1.19 119.36 122.82 1nu2 n ILE 120 Ca 0.00 0.41 0.08 0.00 -1.77 0.00 0.00 62.75 61.48 1nu2 n ILE 120 Cb 0.47 -1.34 0.03 0.00 -1.44 0.00 0.00 39.64 37.37 1nu2 n ILE 120 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1nu2 n THR 121 N -1.49 0.00 -3.47 7.28 -2.24 -1.26 -4.90 114.28 108.20 1nu2 n THR 121 Ca 0.01 -0.42 -0.15 0.00 -2.27 0.00 0.00 64.05 61.23 1nu2 n THR 121 Cb 0.05 1.27 -0.11 0.00 -2.10 0.00 0.00 70.33 69.44 1nu2 n THR 121 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nu2 s ASP 122 N -1.67 0.88 0.00 3.42 -1.08 -0.33 -5.00 116.67 112.88 1nu2 s ASP 122 Ca 0.17 0.02 0.18 0.00 -0.52 0.00 0.00 52.55 52.40 1nu2 s ASP 122 Cb 0.14 0.67 1.01 0.00 -1.46 0.00 0.00 42.92 43.27 1nu2 s ASP 122 CO 0.31 -0.31 1.50 0.00 0.52 0.00 0.00 175.17 177.20 1nu2 n HIS 123 N 5.34 0.00 -1.41 -5.34 1.44 -1.26 -2.57 115.22 111.42 1nu2 n HIS 123 Ca -0.05 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.70 1nu2 n HIS 123 Cb 0.50 -0.12 0.20 0.00 0.12 0.00 0.00 29.99 30.69 1nu2 n HIS 123 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1nu2 n ARG 124 N -1.12 1.72 -3.78 -1.40 1.74 -1.26 -1.31 116.66 111.25 1nu2 n ARG 124 Ca 0.12 -3.10 -0.13 0.00 -0.77 0.00 0.00 57.85 53.96 1nu2 n ARG 124 Cb 0.09 -1.68 -0.09 0.00 -1.02 0.00 0.00 32.46 29.77 1nu2 n ARG 124 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nu2 s ALA 125 N -3.14 -0.70 0.31 7.54 0.00 -1.06 -0.68 121.76 124.02 1nu2 s ALA 125 Ca 0.39 0.26 -0.18 0.00 0.00 0.00 0.00 51.96 52.43 1nu2 s ALA 125 Cb 0.36 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.58 1nu2 s ALA 125 CO -0.02 -0.25 0.70 -0.59 0.00 0.00 0.00 175.76 175.61 1nu2 s PHE 126 N -1.31 0.02 0.30 0.00 -0.12 -0.59 -2.38 117.98 113.90 1nu2 s PHE 126 Ca -0.13 -0.52 -0.13 0.00 -0.05 0.00 0.00 56.93 56.09 1nu2 s PHE 126 Cb -0.06 0.66 0.01 0.00 -0.63 0.00 0.00 43.02 43.01 1nu2 s PHE 126 CO 0.04 -1.31 0.59 0.20 -0.05 0.00 0.00 175.22 174.69 1nu2 s GLY 127 N -2.99 0.53 -0.01 1.99 0.00 0.01 -0.10 107.32 106.74 1nu2 s GLY 127 Ca 0.14 -0.84 -0.14 0.00 0.00 0.00 0.00 44.72 43.89 1nu2 s GLY 127 CO 0.09 -0.51 0.28 -2.52 0.00 0.00 0.00 173.10 170.45 1nu2 s TYR 128 N -3.49 -0.15 -0.20 1.90 -0.85 -0.39 -1.24 117.35 112.94 1nu2 s TYR 128 Ca 0.20 0.20 -0.10 0.00 -0.52 0.00 0.00 57.07 56.85 1nu2 s TYR 128 Cb -0.03 0.08 -0.05 0.00 0.38 0.00 0.00 41.96 42.34 1nu2 s TYR 128 CO 0.11 -0.38 0.12 0.08 -1.52 0.00 0.00 175.55 173.97 1nu2 s VAL 129 N -1.36 5.36 0.18 -3.49 1.01 -0.25 -0.69 120.40 121.16 1nu2 s VAL 129 Ca -0.14 0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1nu2 s VAL 129 Cb -0.05 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1nu2 s VAL 129 CO 0.04 0.44 -0.02 0.00 0.00 0.00 0.00 175.10 175.56 1nu2 n GLY 131 N -0.28 2.38 3.98 0.00 0.00 0.28 -0.94 105.19 110.62 1nu2 n GLY 131 Ca -0.07 -2.00 -0.25 0.00 0.00 0.00 0.00 46.02 43.70 1nu2 n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nu2 s LYS 132 N -2.56 1.45 0.21 1.61 3.01 -1.26 -4.75 119.74 117.45 1nu2 s LYS 132 Ca 0.00 -0.97 -0.32 0.00 -1.01 0.00 0.00 55.97 53.67 1nu2 s LYS 132 Cb 0.00 -2.23 -0.14 0.00 -1.01 0.00 0.00 37.83 34.45 1nu2 s LYS 132 CO 0.00 -1.66 1.32 -1.91 0.51 0.00 0.00 175.35 173.61 1nu2 n GLU 133 N -3.03 1.68 -0.41 1.68 2.13 -1.26 -1.05 120.64 120.37 1nu2 n GLU 133 Ca 0.15 0.60 0.00 0.00 0.66 0.00 0.00 57.16 58.57 1nu2 n GLU 133 Cb 0.60 -2.20 0.00 0.00 0.27 0.00 0.00 31.44 30.12 1nu2 n GLU 133 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nu2 n GLY 134 N 2.15 1.83 2.49 8.31 0.00 -1.26 -4.84 105.19 113.87 1nu2 n GLY 134 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 1nu2 n GLY 134 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nu2 n ASN 135 N 0.00 2.10 -4.74 1.61 4.05 -0.21 -5.09 115.26 112.97 1nu2 n ASN 135 Ca 0.00 -2.37 -0.41 0.00 0.45 0.00 0.00 54.58 52.25 1nu2 n ASN 135 Cb 0.00 -0.44 -0.04 0.00 1.23 0.00 0.00 39.78 40.53 1nu2 n ASN 135 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 1nu2 s HIS 136 N -3.34 3.66 0.00 1.20 3.76 -1.23 -4.25 115.29 115.08 1nu2 s HIS 136 Ca 0.32 1.65 0.02 0.00 -0.15 0.00 0.00 55.06 56.90 1nu2 s HIS 136 Cb 0.34 -3.22 -0.01 0.00 1.11 0.00 0.00 32.58 30.81 1nu2 s HIS 136 CO -0.04 -0.39 -0.07 1.03 -0.85 0.00 0.00 174.74 174.41 1nu2 s ARG 137 N -0.26 0.57 -0.26 1.40 0.52 -0.11 -1.25 118.95 119.57 1nu2 s ARG 137 Ca 0.49 -0.33 -0.09 0.00 -0.52 0.00 0.00 55.73 55.28 1nu2 s ARG 137 Cb -0.28 -0.53 -0.04 0.00 0.52 0.00 0.00 34.95 34.62 1nu2 s ARG 137 CO 0.33 0.14 0.12 0.12 0.02 0.00 0.00 175.30 176.04 1nu2 s PHE 138 N -0.32 3.15 -0.26 -0.53 5.36 0.25 -0.66 117.98 124.97 1nu2 s PHE 138 Ca 0.01 -0.16 -0.10 0.00 -0.96 0.00 0.00 56.93 55.72 1nu2 s PHE 138 Cb -0.04 -2.29 -0.05 0.00 -0.34 0.00 0.00 43.02 40.30 1nu2 s PHE 138 CO -0.00 -0.25 0.16 0.08 -1.46 0.00 0.00 175.22 173.75 1nu2 s VAL 139 N 1.62 5.18 -0.18 3.12 1.01 0.13 -0.76 120.40 130.52 1nu2 s VAL 139 Ca 0.07 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 1nu2 s VAL 139 Cb -0.15 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 1nu2 s VAL 139 CO 0.07 0.30 0.03 0.00 0.00 0.00 0.00 175.10 175.49 1nu2 s ALA 140 N 1.48 3.22 -0.04 5.51 0.00 -0.16 -1.26 121.76 130.50 1nu2 s ALA 140 Ca 0.07 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.25 1nu2 s ALA 140 Cb -0.15 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.15 1nu2 s ALA 140 CO 0.08 0.08 -0.23 0.42 0.00 0.00 0.00 175.76 176.12 1nu2 s ILE 141 N 0.56 1.84 -0.45 0.00 -1.09 0.86 -0.76 121.20 122.17 1nu2 s ILE 141 Ca 0.01 -0.96 -0.08 0.00 -2.23 0.00 0.00 60.65 57.39 1nu2 s ILE 141 Cb -0.13 -1.56 0.11 0.00 -1.58 0.00 0.00 42.46 39.30 1nu2 s ILE 141 CO 0.02 0.52 0.30 -0.75 -1.23 0.00 0.00 174.94 173.79 1nu2 s LYS 142 N -0.23 2.40 0.52 2.79 2.47 -0.02 -1.54 119.74 126.13 1nu2 s LYS 142 Ca 0.00 -1.72 -0.20 0.00 -1.56 0.00 0.00 55.97 52.49 1nu2 s LYS 142 Cb -0.12 -3.82 -0.07 0.00 -1.46 0.00 0.00 37.83 32.37 1nu2 s LYS 142 CO 0.02 -1.12 1.11 0.95 0.16 0.00 0.00 175.35 176.47 1nu2 s THR 143 N 1.32 3.30 0.05 3.43 -4.23 0.14 -0.88 115.64 118.78 1nu2 s THR 143 Ca 0.06 0.83 -0.21 0.00 -1.18 0.00 0.00 61.69 61.19 1nu2 s THR 143 Cb -0.25 -3.34 -0.13 0.00 1.34 0.00 0.00 72.50 70.12 1nu2 s THR 143 CO -0.01 -0.16 1.45 0.00 -0.54 0.00 0.00 174.62 175.36 1nu2 h ALA 144 N 1.37 0.21 -3.60 3.99 0.00 -1.67 -3.45 119.26 116.12 1nu2 h ALA 144 Ca -0.50 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1nu2 h ALA 144 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1nu2 h ALA 144 CO 0.58 -0.04 0.00 1.04 0.00 0.00 0.00 179.25 180.83 1nu2 n GLN 145 N -4.70 1.93 -1.80 0.00 6.02 -1.26 -5.07 117.38 112.50 1nu2 n GLN 145 Ca -0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.56 1nu2 n GLN 145 Cb 0.25 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.55 1nu2 n GLN 145 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nu2 s ALA 146 N -2.00 2.77 -0.01 -1.58 0.00 -1.26 -4.74 121.76 114.94 1nu2 s ALA 146 Ca 0.00 1.30 0.14 0.00 0.00 0.00 0.00 51.96 53.40 1nu2 s ALA 146 Cb 0.00 -3.56 0.14 0.00 0.00 0.00 0.00 23.12 19.71 1nu2 s ALA 146 CO 0.00 -1.37 1.47 0.00 0.00 0.00 0.00 175.76 175.86 1nu2 h ALA 147 N 1.35 0.68 -0.72 0.00 0.00 -1.49 -3.37 119.26 115.71 1nu2 h ALA 147 Ca -0.51 -0.54 0.13 0.00 0.00 0.00 0.00 54.91 53.99 1nu2 h ALA 147 Cb 1.30 -0.10 -0.13 0.00 0.00 0.00 0.00 17.79 18.86 1nu2 h ALA 147 CO 0.57 0.75 -0.30 1.49 0.00 0.00 0.00 179.25 181.75 1nu2 h GLU 148 N 0.00 -0.08 -0.35 0.00 4.81 -1.92 -0.22 114.58 116.82 1nu2 h GLU 148 Ca -0.01 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1nu2 h GLU 148 Cb 1.36 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 1nu2 h GLU 148 CO 0.08 -0.05 0.24 -1.00 -0.73 0.00 0.00 179.01 177.55 1nu2 h PRO 149 N -0.08 0.21 -0.10 0.92 0.13 -1.99 0.67 132.00 131.76 1nu2 h PRO 149 Ca 0.30 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.34 1nu2 h PRO 149 Cb 0.56 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1nu2 h PRO 149 CO -0.77 0.14 -0.24 0.28 -0.23 0.00 0.00 178.00 177.17 1nu2 h VAL 150 N 0.22 1.40 -0.78 1.56 2.07 -1.32 -1.29 116.25 118.11 1nu2 h VAL 150 Ca 0.16 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.10 1nu2 h VAL 150 Cb 0.35 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.25 1nu2 h VAL 150 CO -0.03 0.45 0.43 0.40 0.02 0.00 0.00 177.57 178.84 1nu2 h ILE 151 N -0.12 1.23 -0.13 4.57 2.04 -0.73 -1.67 117.51 122.71 1nu2 h ILE 151 Ca -0.00 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 1nu2 h ILE 151 Cb 0.85 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1nu2 h ILE 151 CO 0.05 0.26 -0.32 -0.07 0.00 0.00 0.00 178.15 178.07 1nu2 h LEU 152 N 1.08 0.25 -0.58 1.44 3.38 -0.87 -0.90 115.31 119.11 1nu2 h LEU 152 Ca 0.27 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 58.05 1nu2 h LEU 152 Cb 0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1nu2 h LEU 152 CO -0.04 0.56 -0.05 0.44 0.09 0.00 0.00 178.44 179.44 1nu2 h ASP 153 N 0.22 1.05 -0.47 -0.43 3.32 -0.67 -0.71 116.42 118.72 1nu2 h ASP 153 Ca 0.03 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 56.71 1nu2 h ASP 153 Cb 0.68 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1nu2 h ASP 153 CO 0.05 1.12 0.14 -0.07 -1.72 0.00 0.00 179.24 178.77 1nu2 h LEU 154 N 0.94 0.69 -0.14 1.55 3.38 -0.85 0.17 115.31 121.06 1nu2 h LEU 154 Ca 0.16 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1nu2 h LEU 154 Cb 0.62 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1nu2 h LEU 154 CO 0.04 0.71 0.03 -0.09 0.09 0.00 0.00 178.44 179.23 1nu2 h ARG 155 N 0.63 0.09 -0.75 1.13 2.43 -0.96 -1.19 114.38 115.76 1nu2 h ARG 155 Ca 0.15 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 1nu2 h ARG 155 Cb 0.27 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1nu2 h ARG 155 CO -0.00 0.06 0.25 -0.44 -1.51 0.00 0.00 179.97 178.33 1nu2 h ASP 156 N 0.10 1.08 0.27 -3.80 3.32 -0.93 -1.89 116.42 114.56 1nu2 h ASP 156 Ca 0.06 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1nu2 h ASP 156 Cb 0.04 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.31 1nu2 h ASP 156 CO -0.07 1.00 -0.13 0.25 -1.72 0.00 0.00 179.24 178.56 1nu2 h LEU 157 N 1.11 -0.31 -0.34 1.55 5.85 -0.35 -0.63 115.31 122.20 1nu2 h LEU 157 Ca 0.25 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.96 1nu2 h LEU 157 Cb 0.29 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1nu2 h LEU 157 CO -0.01 -0.19 0.19 -0.26 -0.34 0.00 0.00 178.44 177.84 1nu2 h PHE 158 N -0.40 0.36 -0.67 1.25 0.05 -1.16 -0.84 116.94 115.53 1nu2 h PHE 158 Ca -0.04 0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.72 1nu2 h PHE 158 Cb 0.31 -0.11 -0.03 0.00 2.00 0.00 0.00 35.95 38.11 1nu2 h PHE 158 CO -0.05 0.21 0.22 0.37 -0.18 0.00 0.00 178.31 178.88 1nu2 h GLN 159 N 0.40 1.02 -0.39 1.51 5.75 -1.30 -0.92 115.11 121.17 1nu2 h GLN 159 Ca 0.13 -0.20 -0.05 0.00 -0.15 0.00 0.00 58.65 58.39 1nu2 h GLN 159 Cb 0.01 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 1nu2 h GLN 159 CO -0.07 0.86 0.06 1.25 -2.65 0.00 0.00 178.83 178.29 1nu2 h LEU 160 N 0.99 0.63 -0.60 -2.39 5.85 -0.74 -0.43 115.31 118.62 1nu2 h LEU 160 Ca 0.22 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1nu2 h LEU 160 Cb 0.26 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1nu2 h LEU 160 CO -0.01 0.74 0.18 0.40 -0.34 0.00 0.00 178.44 179.40 1nu2 h ILE 161 N 0.50 1.24 -0.28 4.05 2.04 -0.91 0.60 117.51 124.76 1nu2 h ILE 161 Ca 0.12 -0.85 0.01 0.00 1.00 0.00 0.00 64.86 65.14 1nu2 h ILE 161 Cb 0.38 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1nu2 h ILE 161 CO 0.01 0.32 0.16 0.22 0.00 0.00 0.00 178.15 178.86 1nu2 h TYR 162 N 0.85 0.30 -0.56 1.37 3.20 -1.00 0.40 116.97 121.53 1nu2 h TYR 162 Ca 0.19 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 1nu2 h TYR 162 Cb 0.30 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1nu2 h TYR 162 CO 0.02 0.17 0.18 0.93 -1.64 0.00 0.00 178.16 177.82 1nu2 h GLU 163 N 0.33 0.87 -0.48 1.82 5.08 -0.79 -0.90 114.58 120.51 1nu2 h GLU 163 Ca 0.11 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1nu2 h GLU 163 Cb 0.00 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1nu2 h GLU 163 CO -0.05 0.79 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.46 1nu2 h LEU 164 N 0.78 1.00 -0.64 1.33 3.38 -0.66 -2.18 115.31 118.33 1nu2 h LEU 164 Ca 0.18 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1nu2 h LEU 164 Cb 0.28 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1nu2 h LEU 164 CO -0.01 1.17 0.05 0.11 0.09 0.00 0.00 178.44 179.85 1nu2 h LYS 165 N 0.85 1.09 -0.84 1.13 1.57 -0.78 0.51 116.57 120.10 1nu2 h LYS 165 Ca 0.11 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 1nu2 h LYS 165 Cb 0.78 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 1nu2 h LYS 165 CO 0.06 1.03 0.54 0.37 -0.57 0.00 0.00 179.45 180.89 1nu2 h GLN 166 N 1.00 1.12 -0.00 3.15 5.75 -1.02 0.13 115.11 125.24 1nu2 h GLN 166 Ca 0.19 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1nu2 h GLN 166 Cb 0.51 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.81 1nu2 h GLN 166 CO 0.02 0.75 -0.08 0.54 -2.65 0.00 0.00 178.83 177.42 1nu2 n ARG 167 N -4.48 0.79 -3.36 1.69 1.74 -0.83 -4.93 116.66 107.28 1nu2 n ARG 167 Ca 0.09 -0.25 -0.18 0.00 -0.77 0.00 0.00 57.85 56.74 1nu2 n ARG 167 Cb 0.03 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.05 1nu2 n ARG 167 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1nu2 n GLU 168 N -0.88 -6.42 -0.07 5.56 1.02 0.93 -4.93 120.64 115.84 1nu2 n GLU 168 Ca 0.16 0.75 0.02 0.00 -0.02 0.00 0.00 57.16 58.06 1nu2 n GLU 168 Cb 0.26 -5.49 0.02 0.00 -0.02 0.00 0.00 31.44 26.21 1nu2 n GLU 168 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nu2 n GLU 169 N -4.10 1.48 0.01 3.49 1.02 0.14 -4.84 120.64 117.85 1nu2 n GLU 169 Ca -0.14 -1.35 -0.10 0.00 -0.02 0.00 0.00 57.16 55.55 1nu2 n GLU 169 Cb 0.61 -0.89 -0.04 0.00 -0.02 0.00 0.00 31.44 31.10 1nu2 n GLU 169 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1nu2 h LEU 170 N 0.00 -0.39 -1.37 -4.62 5.85 -1.89 -2.13 115.31 110.75 1nu2 h LEU 170 Ca 0.00 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1nu2 h LEU 170 Cb 0.84 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 1nu2 h LEU 170 CO 0.00 -0.17 0.46 -0.08 -0.34 0.00 0.00 178.44 178.31 1nu2 h GLU 171 N -0.17 0.77 0.00 1.25 4.81 -1.93 0.73 114.58 120.05 1nu2 h GLU 171 Ca 0.08 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1nu2 h GLU 171 Cb 0.28 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1nu2 h GLU 171 CO -0.19 0.51 0.00 1.63 -0.73 0.00 0.00 179.01 180.23 1nu2 n LYS 172 N -4.47 0.18 -0.00 1.92 4.01 -0.83 -3.62 118.16 115.36 1nu2 n LYS 172 Ca 0.09 0.12 -0.00 0.00 -0.51 0.00 0.00 58.31 58.02 1nu2 n LYS 172 Cb 0.16 -1.50 -0.01 0.00 -0.51 0.00 0.00 35.03 33.17 1nu2 n LYS 172 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1nu2 n LYS 173 N -1.36 2.11 0.00 1.97 4.76 -0.35 -5.13 118.16 120.16 1nu2 n LYS 173 Ca 0.08 -0.01 0.15 0.00 -2.87 0.00 0.00 58.31 55.66 1nu2 n LYS 173 Cb 0.18 -1.03 0.64 0.00 -1.84 0.00 0.00 35.03 32.99 1nu2 n LYS 173 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03