#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pna h GLN 18 N 0.00 0.00 0.00 1.96 -0.00 -2.07 -3.40 115.11 111.60 2pna h GLN 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2pna h GLN 18 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2pna h GLN 18 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 178.83 175.36 2pna n ASP 19 N -2.42 0.00 -1.12 0.06 2.03 -1.26 -5.10 116.55 108.74 2pna n ASP 19 Ca 0.03 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.47 2pna n ASP 19 Cb 0.34 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.70 2pna n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pna n ALA 20 N -0.00 -3.22 -0.11 -1.67 0.00 -1.26 -4.51 120.51 109.73 2pna n ALA 20 Ca 0.00 0.45 -0.23 0.00 0.00 0.00 0.00 53.44 53.65 2pna n ALA 20 Cb 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 19.45 18.24 2pna n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pna n GLU 21 N -3.46 0.50 -0.05 0.00 1.02 -1.26 -4.56 120.64 112.82 2pna n GLU 21 Ca -0.02 0.20 -0.04 0.00 -0.02 0.00 0.00 57.16 57.28 2pna n GLU 21 Cb 0.62 -1.34 0.17 0.00 -0.02 0.00 0.00 31.44 30.88 2pna n GLU 21 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 2pna h TRP 22 N -0.69 0.72 -3.31 -0.32 6.55 -1.88 -3.41 115.95 113.61 2pna h TRP 22 Ca -0.57 -0.13 -0.57 0.00 0.95 0.00 0.00 58.89 58.57 2pna h TRP 22 Cb 1.55 -0.19 -0.06 0.00 -0.86 0.00 0.00 29.16 29.61 2pna h TRP 22 CO -0.06 0.76 -0.03 0.71 -1.05 0.00 0.00 178.44 178.77 2pna s TYR 23 N -4.74 3.62 -1.78 0.49 1.51 -1.26 -4.18 117.35 111.01 2pna s TYR 23 Ca -0.08 1.13 0.27 0.00 -1.01 0.00 0.00 57.07 57.38 2pna s TYR 23 Cb 0.14 -2.62 0.90 0.00 -0.11 0.00 0.00 41.96 40.27 2pna s TYR 23 CO 0.80 0.27 1.66 0.91 -1.11 0.00 0.00 175.55 178.08 2pna n TRP 24 N 3.13 0.00 0.00 2.71 7.02 -1.26 -4.59 117.44 124.45 2pna n TRP 24 Ca -0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.42 2pna n TRP 24 Cb 0.51 -0.13 0.00 0.00 -2.42 0.00 0.00 31.31 29.27 2pna n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2pna n GLY 25 N 1.31 0.84 2.26 6.99 0.00 -1.26 -4.93 105.19 110.40 2pna n GLY 25 Ca 0.13 -0.76 -0.00 0.00 0.00 0.00 0.00 46.02 45.38 2pna n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pna n ASP 26 N 0.00 -4.59 0.00 1.61 8.00 -1.26 -5.04 116.55 115.27 2pna n ASP 26 Ca 0.00 1.40 0.00 0.00 0.71 0.00 0.00 54.79 56.90 2pna n ASP 26 Cb 0.00 -3.32 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 2pna n ASP 26 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2pna n ILE 27 N 1.96 0.00 -3.58 0.53 -5.35 -1.26 -4.80 119.36 106.85 2pna n ILE 27 Ca -0.03 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.47 2pna n ILE 27 Cb 0.04 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 37.94 2pna n ILE 27 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2pna s SER 28 N 1.00 -0.02 0.24 7.28 1.04 -1.26 -3.71 113.70 118.26 2pna s SER 28 Ca 0.00 -0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.28 2pna s SER 28 Cb 0.00 0.04 0.31 0.00 0.10 0.00 0.00 66.02 66.47 2pna s SER 28 CO 0.00 -0.07 1.59 0.03 0.98 0.00 0.00 173.24 175.77 2pna h ARG 29 N 2.00 -0.02 -0.52 4.02 3.08 -1.96 0.16 114.38 121.14 2pna h ARG 29 Ca -0.26 0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.85 2pna h ARG 29 Cb 1.18 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.15 2pna h ARG 29 CO 0.27 -0.01 -0.46 0.93 -1.07 0.00 0.00 179.97 179.62 2pna h GLU 30 N -0.02 -0.19 0.73 0.04 5.08 -1.98 0.45 114.58 118.68 2pna h GLU 30 Ca 0.37 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.70 2pna h GLU 30 Cb 0.59 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.89 2pna h GLU 30 CO -0.83 -0.13 -0.35 0.93 -1.00 0.00 0.00 179.01 177.63 2pna h GLU 31 N -0.20 -0.94 -0.31 2.33 5.08 -1.54 -2.35 114.58 116.65 2pna h GLU 31 Ca 0.09 0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2pna h GLU 31 Cb 0.43 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2pna h GLU 31 CO -0.59 -0.63 -0.18 0.28 -1.00 0.00 0.00 179.01 176.89 2pna n VAL 32 N -5.20 -0.21 0.00 3.13 0.31 0.41 -2.38 118.33 114.40 2pna n VAL 32 Ca -0.12 1.74 0.00 0.00 -0.01 0.00 0.00 64.34 65.95 2pna n VAL 32 Cb 0.39 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 2pna n VAL 32 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2pna n ASN 33 N -3.68 0.00 -0.26 4.52 2.85 0.15 0.21 115.26 119.06 2pna n ASN 33 Ca 0.01 0.93 0.22 0.00 -0.11 0.00 0.00 54.58 55.63 2pna n ASN 33 Cb 0.08 -0.43 0.38 0.00 1.24 0.00 0.00 39.78 41.05 2pna n ASN 33 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2pna n GLU 34 N -2.40 -0.02 -0.06 1.20 2.13 -0.88 0.15 120.64 120.75 2pna n GLU 34 Ca 0.00 0.74 -0.16 0.00 0.66 0.00 0.00 57.16 58.40 2pna n GLU 34 Cb 0.00 -1.43 -0.14 0.00 0.27 0.00 0.00 31.44 30.15 2pna n GLU 34 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2pna n LYS 35 N -3.90 0.69 0.00 5.31 0.00 -0.82 -4.06 118.16 115.38 2pna n LYS 35 Ca 0.23 0.19 0.13 0.00 0.00 0.00 0.00 58.31 58.86 2pna n LYS 35 Cb 0.88 -1.64 0.76 0.00 0.00 0.00 0.00 35.03 35.02 2pna n LYS 35 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2pna n LEU 36 N -3.20 0.00 0.03 3.14 7.94 0.40 -2.96 117.00 122.34 2pna n LEU 36 Ca -0.33 0.08 0.13 0.00 -1.11 0.00 0.00 56.01 54.78 2pna n LEU 36 Cb 1.05 -0.08 0.34 0.00 0.53 0.00 0.00 43.42 45.26 2pna n LEU 36 CO 0.39 -0.01 0.60 -2.11 -1.11 0.00 0.00 177.39 175.15 2pna n ARG 37 N -1.08 0.11 -1.41 1.96 -4.01 0.14 -3.94 116.66 108.43 2pna n ARG 37 Ca 0.18 0.05 0.03 0.00 -1.04 0.00 0.00 57.85 57.07 2pna n ARG 37 Cb 0.12 -1.59 0.07 0.00 -3.04 0.00 0.00 32.46 28.03 2pna n ARG 37 CO 0.00 0.00 0.00 -3.47 -3.04 0.00 0.00 177.63 171.12 2pna n ASP 38 N -1.76 1.39 -4.88 2.89 2.03 -1.16 -5.08 116.55 109.98 2pna n ASP 38 Ca 0.05 -2.56 -0.21 0.00 0.52 0.00 0.00 54.79 52.59 2pna n ASP 38 Cb 0.38 -0.38 0.09 0.00 -0.72 0.00 0.00 41.12 40.49 2pna n ASP 38 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2pna n THR 39 N -0.06 0.00 -0.80 5.18 -2.24 -1.24 -5.11 114.28 110.01 2pna n THR 39 Ca 0.11 -1.86 -0.04 0.00 -2.27 0.00 0.00 64.05 59.99 2pna n THR 39 Cb 0.99 -0.63 0.03 0.00 -2.10 0.00 0.00 70.33 68.63 2pna n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pna n ALA 40 N -2.51 -0.36 -1.64 6.98 0.00 -1.26 -4.90 120.51 116.83 2pna n ALA 40 Ca -0.15 -0.23 -0.31 0.00 0.00 0.00 0.00 53.44 52.76 2pna n ALA 40 Cb 0.61 -0.01 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 2pna n ALA 40 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pna n ASP 41 N -3.20 6.82 0.00 0.00 -0.08 -1.26 -4.40 116.55 114.44 2pna n ASP 41 Ca 0.02 -3.29 0.00 0.00 -1.51 0.00 0.00 54.79 50.02 2pna n ASP 41 Cb 0.08 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.31 2pna n ASP 41 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pna n GLY 42 N 0.79 -1.82 3.51 0.27 0.00 -1.12 -4.30 105.19 102.51 2pna n GLY 42 Ca 0.51 0.78 -0.24 0.00 0.00 0.00 0.00 46.02 47.08 2pna n GLY 42 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pna s THR 43 N 0.00 2.66 -0.16 2.61 2.01 -1.13 -4.35 115.64 117.28 2pna s THR 43 Ca 0.00 -2.29 -0.12 0.00 0.31 0.00 0.00 61.69 59.59 2pna s THR 43 Cb 0.00 -2.44 0.05 0.00 0.01 0.00 0.00 72.50 70.12 2pna s THR 43 CO 0.00 -0.38 0.41 0.72 -0.69 0.00 0.00 174.62 174.68 2pna s PHE 44 N -2.48 -0.50 0.06 4.92 -0.71 -1.23 -0.17 117.98 117.88 2pna s PHE 44 Ca 0.31 1.16 -0.01 0.00 -1.04 0.00 0.00 56.93 57.35 2pna s PHE 44 Cb -0.05 0.19 0.00 0.00 -1.21 0.00 0.00 43.02 41.96 2pna s PHE 44 CO 0.16 -0.26 0.10 1.47 -1.34 0.00 0.00 175.22 175.35 2pna n LEU 45 N 3.38 0.00 -4.73 -1.99 -0.00 -0.71 -3.92 117.00 109.03 2pna n LEU 45 Ca -0.17 -0.48 -0.26 0.00 -0.00 0.00 0.00 56.01 55.10 2pna n LEU 45 Cb 0.56 0.49 -0.07 0.00 -0.00 0.00 0.00 43.42 44.41 2pna n LEU 45 CO 0.11 -0.12 -0.28 -0.69 -0.00 0.00 0.00 177.39 176.41 2pna s VAL 46 N -2.59 4.07 -0.25 1.47 1.01 -1.26 -2.52 120.40 120.34 2pna s VAL 46 Ca 0.04 -1.28 -0.00 0.00 0.00 0.00 0.00 61.98 60.74 2pna s VAL 46 Cb -0.00 -3.07 0.07 0.00 0.00 0.00 0.00 36.38 33.38 2pna s VAL 46 CO 0.03 -0.12 0.00 -0.60 0.00 0.00 0.00 175.10 174.41 2pna s ARG 47 N -3.04 1.22 0.26 2.72 3.00 -0.28 -4.50 118.95 118.33 2pna s ARG 47 Ca 0.29 -0.94 -0.29 0.00 -1.00 0.00 0.00 55.73 53.79 2pna s ARG 47 Cb -0.10 -2.42 -0.14 0.00 0.00 0.00 0.00 34.95 32.29 2pna s ARG 47 CO 0.21 -0.70 1.04 -3.47 0.00 0.00 0.00 175.30 172.38 2pna n ASP 48 N 4.76 1.28 -3.71 -2.12 2.03 -1.24 -0.96 116.55 116.59 2pna n ASP 48 Ca -0.08 1.17 -0.12 0.00 0.52 0.00 0.00 54.79 56.28 2pna n ASP 48 Cb 0.44 -1.27 -0.10 0.00 -0.72 0.00 0.00 41.12 39.47 2pna n ASP 48 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pna s ALA 49 N -0.84 -1.10 -0.08 -1.67 0.00 -1.26 -4.75 121.76 112.06 2pna s ALA 49 Ca 0.62 1.42 -0.05 0.00 0.00 0.00 0.00 51.96 53.95 2pna s ALA 49 Cb -0.74 -0.84 0.03 0.00 0.00 0.00 0.00 23.12 21.58 2pna s ALA 49 CO 0.58 -0.24 0.20 -1.54 0.00 0.00 0.00 175.76 174.76 2pna s SER 50 N 0.81 -0.20 0.00 0.00 1.04 -1.26 -4.18 113.70 109.91 2pna s SER 50 Ca -0.05 0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.81 2pna s SER 50 Cb -0.06 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2pna s SER 50 CO -0.06 -0.13 0.00 0.41 0.98 0.00 0.00 173.24 174.44 2pna n THR 51 N 3.78 0.00 -0.52 2.02 -1.04 -1.26 -4.91 114.28 112.35 2pna n THR 51 Ca -0.21 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 61.90 2pna n THR 51 Cb 0.55 0.00 0.35 0.00 -1.82 0.00 0.00 70.33 69.41 2pna n THR 51 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2pna n LYS 52 N 0.00 3.36 -3.44 -2.82 5.02 -1.26 -4.93 118.16 114.09 2pna n LYS 52 Ca 0.00 -2.81 -0.25 0.00 -2.02 0.00 0.00 58.31 53.23 2pna n LYS 52 Cb 0.00 -1.78 0.02 0.00 -0.02 0.00 0.00 35.03 33.25 2pna n LYS 52 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2pna n MET 53 N 1.37 -4.59 0.00 1.97 2.81 -1.26 -4.81 117.12 112.61 2pna n MET 53 Ca 0.26 0.64 0.00 0.00 -1.81 0.00 0.00 57.70 56.79 2pna n MET 53 Cb 0.79 -5.46 0.00 0.00 -0.71 0.00 0.00 33.22 27.84 2pna n MET 53 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2pna n HIS 54 N -4.35 0.00 -3.35 2.03 -0.00 -1.26 -5.14 115.22 103.15 2pna n HIS 54 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.60 2pna n HIS 54 Cb 0.56 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 30.47 2pna n HIS 54 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2pna s GLY 55 N 0.00 -0.41 -0.35 -1.41 0.00 -1.26 -5.04 107.32 98.85 2pna s GLY 55 Ca 0.00 0.75 0.04 0.00 0.00 0.00 0.00 44.72 45.51 2pna s GLY 55 CO 0.00 2.70 0.69 0.51 0.00 0.00 0.00 173.10 176.99 2pna s ASP 56 N 2.53 -1.37 0.00 1.64 -4.77 -1.26 -4.56 116.67 108.88 2pna s ASP 56 Ca 0.12 -0.31 0.00 0.00 -3.30 0.00 0.00 52.55 49.06 2pna s ASP 56 Cb -0.15 1.79 0.00 0.00 -1.09 0.00 0.00 42.92 43.47 2pna s ASP 56 CO -0.18 -0.20 0.00 -1.22 0.70 0.00 0.00 175.17 174.27 2pna n TYR 57 N 4.76 0.00 -3.68 2.11 4.01 -1.26 -4.30 117.16 118.80 2pna n TYR 57 Ca 0.08 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.58 2pna n TYR 57 Cb 0.57 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.42 2pna n TYR 57 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2pna s THR 58 N 1.07 0.14 0.10 -0.72 2.01 -0.13 -3.29 115.64 114.82 2pna s THR 58 Ca 0.00 -0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 2pna s THR 58 Cb 0.00 -0.59 -0.06 0.00 0.01 0.00 0.00 72.50 71.86 2pna s THR 58 CO 0.00 -0.07 1.20 -0.22 -0.69 0.00 0.00 174.62 174.84 2pna s LEU 59 N 2.05 4.40 0.03 4.42 2.96 0.04 -1.12 118.68 131.46 2pna s LEU 59 Ca 0.02 2.08 0.02 0.00 -0.22 0.00 0.00 54.13 56.04 2pna s LEU 59 Cb -0.15 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 42.94 2pna s LEU 59 CO -0.07 -0.43 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.56 2pna s THR 60 N 0.70 0.58 -0.01 3.68 2.01 -1.05 0.25 115.64 121.80 2pna s THR 60 Ca 0.57 -0.89 -0.17 0.00 0.31 0.00 0.00 61.69 61.51 2pna s THR 60 Cb -0.30 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 71.64 2pna s THR 60 CO 0.31 -0.23 0.36 -1.48 -0.69 0.00 0.00 174.62 172.89 2pna s LEU 61 N -1.23 0.65 -0.23 4.42 2.34 -0.79 -1.74 118.68 122.10 2pna s LEU 61 Ca -0.06 0.14 -0.29 0.00 0.06 0.00 0.00 54.13 53.97 2pna s LEU 61 Cb -0.08 1.45 -0.01 0.00 -0.56 0.00 0.00 46.19 46.99 2pna s LEU 61 CO 0.00 -0.49 1.29 -0.60 -1.06 0.00 0.00 176.35 175.49 2pna s ARG 62 N -1.45 4.07 -0.29 1.48 6.06 0.77 0.32 118.95 129.91 2pna s ARG 62 Ca -0.12 1.46 0.02 0.00 -2.50 0.00 0.00 55.73 54.59 2pna s ARG 62 Cb -0.04 -3.83 0.08 0.00 0.06 0.00 0.00 34.95 31.22 2pna s ARG 62 CO 0.04 -0.92 -0.02 0.21 -2.50 0.00 0.00 175.30 172.11 2pna s LYS 63 N 3.85 1.70 0.00 5.12 2.20 -1.19 -2.81 119.74 128.61 2pna s LYS 63 Ca 0.56 -1.42 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 2pna s LYS 63 Cb -0.19 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 2pna s LYS 63 CO 0.19 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 2pna n GLY 64 N 4.46 1.41 0.00 5.54 0.00 -1.26 -1.90 105.19 113.44 2pna n GLY 64 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2pna n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pna n GLY 65 N 0.00 0.15 3.17 -0.02 0.00 -1.26 -4.98 105.19 102.25 2pna n GLY 65 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2pna n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pna s ASN 66 N 0.00 4.58 -0.38 1.61 2.47 -0.80 -5.05 114.94 117.37 2pna s ASN 66 Ca 0.00 -1.13 -0.40 0.00 0.42 0.00 0.00 52.86 51.75 2pna s ASN 66 Cb 0.00 -1.67 -0.16 0.00 -1.45 0.00 0.00 41.25 37.98 2pna s ASN 66 CO 0.00 -0.20 1.97 0.59 -3.72 0.00 0.00 177.10 175.74 2pna n ASN 67 N 4.61 1.79 -4.65 -4.21 5.03 -1.26 -3.17 115.26 113.39 2pna n ASN 67 Ca -0.15 0.78 -0.41 0.00 0.87 0.00 0.00 54.58 55.68 2pna n ASN 67 Cb 0.45 -1.09 -0.05 0.00 -1.02 0.00 0.00 39.78 38.06 2pna n ASN 67 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2pna s LYS 68 N 4.95 4.21 0.09 3.52 2.20 0.15 -4.87 119.74 130.00 2pna s LYS 68 Ca 1.08 0.73 -0.17 0.00 -0.36 0.00 0.00 55.97 57.26 2pna s LYS 68 Cb -1.15 -3.60 -0.07 0.00 -1.51 0.00 0.00 37.83 31.50 2pna s LYS 68 CO 0.62 -0.33 0.54 -1.17 -0.36 0.00 0.00 175.35 174.66 2pna s LEU 69 N 2.19 4.45 0.01 5.43 2.96 -1.26 -1.89 118.68 130.57 2pna s LEU 69 Ca 0.31 1.16 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 2pna s LEU 69 Cb -0.16 -3.00 -0.01 0.00 0.50 0.00 0.00 46.19 43.51 2pna s LEU 69 CO 0.10 0.21 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.69 2pna s ILE 70 N -1.24 0.12 0.11 6.68 1.01 0.14 -4.99 121.20 123.01 2pna s ILE 70 Ca 0.32 -0.62 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 2pna s ILE 70 Cb -0.17 -0.21 -0.05 0.00 0.01 0.00 0.00 42.46 42.03 2pna s ILE 70 CO 0.18 -0.32 0.34 -0.75 0.00 0.00 0.00 174.94 174.40 2pna s LYS 71 N -0.97 3.61 -0.23 2.79 2.47 -1.26 -0.78 119.74 125.36 2pna s LYS 71 Ca -0.10 -0.10 -0.07 0.00 -1.56 0.00 0.00 55.97 54.14 2pna s LYS 71 Cb -0.07 -2.92 -0.03 0.00 -1.46 0.00 0.00 37.83 33.36 2pna s LYS 71 CO -0.01 0.52 0.05 0.42 0.16 0.00 0.00 175.35 176.49 2pna s ILE 72 N -1.56 4.22 -0.31 5.43 -1.09 -1.21 -4.76 121.20 121.92 2pna s ILE 72 Ca 0.38 -0.21 -0.19 0.00 -2.23 0.00 0.00 60.65 58.40 2pna s ILE 72 Cb -0.13 -2.95 -0.01 0.00 -1.58 0.00 0.00 42.46 37.79 2pna s ILE 72 CO 0.23 0.38 0.55 -0.36 -1.23 0.00 0.00 174.94 174.51 2pna s PHE 73 N 1.33 3.21 0.41 3.97 0.08 -1.11 -4.63 117.98 121.25 2pna s PHE 73 Ca 0.05 0.45 0.03 0.00 0.12 0.00 0.00 56.93 57.58 2pna s PHE 73 Cb -0.15 -2.89 -0.03 0.00 -0.57 0.00 0.00 43.02 39.38 2pna s PHE 73 CO 0.03 -0.44 0.08 -1.58 -0.10 0.00 0.00 175.22 173.20 2pna s HIS 74 N 2.45 1.89 0.00 0.36 2.46 -1.26 0.31 115.29 121.49 2pna s HIS 74 Ca 0.22 -1.10 0.00 0.00 0.47 0.00 0.00 55.06 54.65 2pna s HIS 74 Cb -0.15 -1.33 0.00 0.00 -0.13 0.00 0.00 32.58 30.97 2pna s HIS 74 CO 0.12 -0.07 0.00 0.54 -2.47 0.00 0.00 174.74 172.86 2pna n ARG 75 N -0.94 0.00 0.00 2.88 1.74 -1.21 -4.96 116.66 114.17 2pna n ARG 75 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2pna n ARG 75 Cb 0.66 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.10 2pna n ARG 75 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2pna n ASP 76 N -0.57 0.85 0.00 0.55 5.75 -1.26 -4.76 116.55 117.11 2pna n ASP 76 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.65 2pna n ASP 76 Cb 0.00 0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 2pna n ASP 76 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pna n GLY 77 N 0.67 0.38 3.92 6.12 0.00 -1.26 -4.96 105.19 110.07 2pna n GLY 77 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2pna n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pna s LYS 78 N 0.00 2.42 0.33 1.61 -2.85 -1.26 -4.90 119.74 115.09 2pna s LYS 78 Ca 0.00 -1.69 0.10 0.00 -1.00 0.00 0.00 55.97 53.37 2pna s LYS 78 Cb 0.00 -2.37 -0.06 0.00 -2.06 0.00 0.00 37.83 33.34 2pna s LYS 78 CO 0.00 -0.47 -0.10 0.71 0.10 0.00 0.00 175.35 175.60 2pna s TYR 79 N -2.60 2.41 -0.19 1.78 1.51 -1.23 -3.34 117.35 115.68 2pna s TYR 79 Ca 0.47 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 56.05 2pna s TYR 79 Cb -0.04 -1.33 0.05 0.00 -0.11 0.00 0.00 41.96 40.53 2pna s TYR 79 CO 0.28 0.59 -0.01 0.20 -1.11 0.00 0.00 175.55 175.50 2pna s GLY 80 N -3.61 0.93 0.00 0.71 0.00 0.91 -3.97 107.32 102.29 2pna s GLY 80 Ca 0.32 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2pna s GLY 80 CO 0.17 1.14 0.00 0.33 0.00 0.00 0.00 173.10 174.74 2pna n PHE 81 N 4.90 0.00 0.06 1.90 7.35 -1.26 -2.75 117.46 127.65 2pna n PHE 81 Ca -0.11 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.58 2pna n PHE 81 Cb 0.46 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.29 2pna n PHE 81 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 2pna n SER 82 N -0.62 0.32 -4.88 -2.13 2.88 -1.26 -5.08 113.62 102.85 2pna n SER 82 Ca 0.00 0.18 -0.30 0.00 -1.33 0.00 0.00 58.87 57.42 2pna n SER 82 Cb 0.00 -0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 2pna n SER 82 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2pna s ASP 83 N -5.15 6.54 -0.70 -3.46 2.15 -1.26 -4.91 116.67 109.87 2pna s ASP 83 Ca 0.00 0.95 -0.28 0.00 0.43 0.00 0.00 52.55 53.65 2pna s ASP 83 Cb 0.00 -2.24 -0.27 0.00 -0.30 0.00 0.00 42.92 40.11 2pna s ASP 83 CO 0.00 -0.23 1.90 -0.81 -0.17 0.00 0.00 175.17 175.86 2pna n PRO 84 N -0.80 0.33 -4.17 4.34 -0.04 -1.26 -3.91 135.00 129.49 2pna n PRO 84 Ca 0.01 -1.56 -0.32 0.00 -0.04 0.00 0.00 63.50 61.58 2pna n PRO 84 Cb 0.53 -3.35 -0.08 0.00 -0.04 0.00 0.00 33.50 30.56 2pna n PRO 84 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2pna n LEU 85 N 14.69 -0.81 -0.04 1.53 4.32 -1.26 -4.75 117.00 130.69 2pna n LEU 85 Ca 0.44 -1.13 0.04 0.00 -0.02 0.00 0.00 56.01 55.34 2pna n LEU 85 Cb 0.45 -1.43 -0.17 0.00 -1.62 0.00 0.00 43.42 40.65 2pna n LEU 85 CO 0.84 0.28 -0.88 0.41 -1.22 0.00 0.00 177.39 176.82 2pna n THR 86 N -3.99 0.44 0.00 -5.08 -1.04 -1.25 -4.87 114.28 98.48 2pna n THR 86 Ca -0.12 -0.61 0.00 0.00 -2.04 0.00 0.00 64.05 61.28 2pna n THR 86 Cb 0.53 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 2pna n THR 86 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 2pna n PHE 87 N -2.41 0.00 0.03 -1.42 -1.74 -1.26 -5.09 117.46 105.57 2pna n PHE 87 Ca -0.13 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.76 2pna n PHE 87 Cb 0.75 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.75 2pna n PHE 87 CO 0.00 0.00 0.00 0.27 -0.56 0.00 0.00 176.76 176.47 2pna n ASN 88 N 0.00 -0.56 -4.74 5.98 6.94 -1.26 -4.59 115.26 117.03 2pna n ASN 88 Ca 0.00 0.48 -0.41 0.00 -0.02 0.00 0.00 54.58 54.63 2pna n ASN 88 Cb 0.00 0.89 -0.04 0.00 -2.36 0.00 0.00 39.78 38.28 2pna n ASN 88 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2pna s SER 89 N -1.85 7.23 0.08 0.53 1.04 -1.26 -3.48 113.70 115.99 2pna s SER 89 Ca 0.00 2.09 -0.08 0.00 0.48 0.00 0.00 55.95 58.45 2pna s SER 89 Cb 0.00 -2.60 -0.25 0.00 0.10 0.00 0.00 66.02 63.27 2pna s SER 89 CO 0.00 -0.26 1.16 0.58 0.98 0.00 0.00 173.24 175.69 2pna h VAL 90 N 3.82 1.40 -0.80 5.02 2.07 -1.99 -3.07 116.25 122.71 2pna h VAL 90 Ca -0.44 -2.74 0.13 0.00 0.82 0.00 0.00 66.70 64.47 2pna h VAL 90 Cb 1.21 2.78 -0.09 0.00 -1.52 0.00 0.00 31.29 33.67 2pna h VAL 90 CO 0.73 0.81 0.39 0.58 0.02 0.00 0.00 177.57 180.11 2pna h VAL 91 N 0.16 0.76 -0.35 2.57 2.07 -1.97 1.06 116.25 120.56 2pna h VAL 91 Ca -0.15 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.18 2pna h VAL 91 Cb 1.89 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2pna h VAL 91 CO 0.21 0.11 0.21 -0.08 0.02 0.00 0.00 177.57 178.04 2pna h GLU 92 N 0.60 0.42 0.00 1.57 4.57 -1.95 -0.09 114.58 119.69 2pna h GLU 92 Ca 0.42 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.58 2pna h GLU 92 Cb 0.56 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2pna h GLU 92 CO -0.34 0.28 0.00 -0.11 -1.18 0.00 0.00 179.01 177.66 2pna n LEU 93 N -4.88 0.74 -0.30 1.64 0.00 0.87 -2.49 117.00 112.57 2pna n LEU 93 Ca 0.00 0.50 0.30 0.00 0.00 0.00 0.00 56.01 56.81 2pna n LEU 93 Cb 0.05 -0.29 0.55 0.00 0.00 0.00 0.00 43.42 43.72 2pna n LEU 93 CO 0.33 -0.29 0.98 -0.38 0.00 0.00 0.00 177.39 178.03 2pna n ILE 94 N -1.37 -0.37 -0.11 1.96 2.08 0.33 0.14 119.36 122.03 2pna n ILE 94 Ca 0.00 1.83 -0.11 0.00 0.56 0.00 0.00 62.75 65.04 2pna n ILE 94 Cb 0.00 -2.98 -0.03 0.00 -0.75 0.00 0.00 39.64 35.88 2pna n ILE 94 CO 0.00 0.00 0.00 -1.13 0.56 0.00 0.00 176.55 175.98 2pna h ASN 95 N 0.00 0.53 0.22 4.38 -0.73 -1.09 0.40 115.58 119.28 2pna h ASN 95 Ca 0.78 -0.29 0.00 0.00 1.87 0.00 0.00 56.30 58.66 2pna h ASN 95 Cb 2.10 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 40.55 2pna h ASN 95 CO -0.68 0.69 0.00 -0.74 -0.37 0.00 0.00 177.43 176.33 2pna h HIS 96 N 0.36 0.00 0.01 0.67 2.76 0.16 -2.11 115.15 117.00 2pna h HIS 96 Ca 0.09 0.00 -0.36 0.00 -2.20 0.00 0.00 60.37 57.90 2pna h HIS 96 Cb 0.41 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.30 2pna h HIS 96 CO 0.03 0.00 -2.26 0.66 -1.30 0.00 0.00 177.93 175.06 2pna n TYR 97 N -2.63 0.28 -0.37 5.26 4.01 -0.68 -3.91 117.16 119.13 2pna n TYR 97 Ca -0.01 0.09 0.02 0.00 -0.16 0.00 0.00 57.90 57.83 2pna n TYR 97 Cb 0.10 -1.05 0.17 0.00 -0.31 0.00 0.00 39.34 38.26 2pna n TYR 97 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2pna h ARG 98 N 0.01 1.16 0.00 -0.72 3.08 0.45 0.12 114.38 118.48 2pna h ARG 98 Ca -0.50 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.45 2pna h ARG 98 Cb 2.11 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 31.89 2pna h ARG 98 CO 0.02 0.77 -0.14 -0.91 -1.07 0.00 0.00 179.97 178.63 2pna h ASN 99 N 1.19 0.00 0.00 7.04 2.35 -1.69 -3.42 115.58 121.05 2pna h ASN 99 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 2pna h ASN 99 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 2pna h ASN 99 CO -0.16 0.14 0.00 -0.62 -1.65 0.00 0.00 177.43 175.13 2pna n GLU 100 N -3.24 0.00 0.00 0.81 1.02 0.25 -5.11 120.64 114.37 2pna n GLU 100 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2pna n GLU 100 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.85 2pna n GLU 100 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2pna n SER 101 N 0.00 0.00 -3.88 1.62 2.88 -0.15 -4.65 113.62 109.44 2pna n SER 101 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 2pna n SER 101 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2pna n SER 101 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2pna n LEU 102 N 0.00 6.60 -0.56 2.46 4.77 -0.48 -4.48 117.00 125.31 2pna n LEU 102 Ca 0.00 -4.54 0.11 0.00 -0.03 0.00 0.00 56.01 51.55 2pna n LEU 102 Cb 0.00 -1.52 0.01 0.00 -2.33 0.00 0.00 43.42 39.58 2pna n LEU 102 CO 0.00 1.28 0.35 0.00 -1.33 0.00 0.00 177.39 177.69 2pna n ALA 103 N 4.40 3.36 -0.05 -1.18 0.00 -1.26 -2.89 120.51 122.89 2pna n ALA 103 Ca 0.42 -0.64 -0.19 0.00 0.00 0.00 0.00 53.44 53.03 2pna n ALA 103 Cb 0.37 -0.77 -0.13 0.00 0.00 0.00 0.00 19.45 18.92 2pna n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pna n GLN 104 N 0.19 0.71 -0.28 0.00 3.00 -1.26 -3.38 117.38 116.35 2pna n GLN 104 Ca 0.10 0.21 0.08 0.00 -0.01 0.00 0.00 57.00 57.38 2pna n GLN 104 Cb 0.48 -1.65 0.22 0.00 0.00 0.00 0.00 30.24 29.30 2pna n GLN 104 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.06 178.94 2pna h TYR 105 N 0.04 0.58 -1.81 1.08 -1.99 -1.94 -3.35 116.97 109.58 2pna h TYR 105 Ca -0.47 0.04 -0.34 0.00 2.00 0.00 0.00 58.73 59.96 2pna h TYR 105 Cb 2.00 -0.13 -0.29 0.00 2.00 0.00 0.00 36.73 40.31 2pna h TYR 105 CO 0.05 0.05 -0.67 1.21 -0.00 0.00 0.00 178.16 178.80 2pna s ASN 106 N -5.31 0.71 0.35 3.88 3.84 -1.26 -5.01 114.94 112.14 2pna s ASN 106 Ca -0.12 -1.61 0.03 0.00 0.21 0.00 0.00 52.86 51.37 2pna s ASN 106 Cb 0.22 0.74 0.66 0.00 -0.55 0.00 0.00 41.25 42.32 2pna s ASN 106 CO 0.77 -0.23 1.98 -0.65 -2.79 0.00 0.00 177.10 176.18 2pna h PRO 107 N 6.81 0.82 -1.27 0.43 0.11 -1.70 -0.95 132.00 136.26 2pna h PRO 107 Ca 0.07 -0.05 0.37 0.00 0.11 0.00 0.00 66.00 66.50 2pna h PRO 107 Cb 1.06 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.94 2pna h PRO 107 CO 0.18 0.54 1.02 -0.22 -0.21 0.00 0.00 178.00 179.32 2pna h LYS 108 N 0.85 0.00 -1.86 1.05 1.63 -1.95 -3.26 116.57 113.03 2pna h LYS 108 Ca 0.28 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.85 2pna h LYS 108 Cb 0.07 0.00 -0.30 0.00 -0.60 0.00 0.00 32.23 31.40 2pna h LYS 108 CO -0.08 0.00 -0.56 -0.51 -3.45 0.00 0.00 179.45 174.85 2pna s LEU 109 N -7.79 -0.60 0.28 5.20 1.02 -0.36 -5.15 118.68 111.28 2pna s LEU 109 Ca -0.05 -0.45 -0.08 0.00 0.02 0.00 0.00 54.13 53.57 2pna s LEU 109 Cb 0.22 0.91 -0.06 0.00 0.02 0.00 0.00 46.19 47.27 2pna s LEU 109 CO 0.74 -0.36 0.60 1.51 0.02 0.00 0.00 176.35 178.86 2pna s ASP 110 N 2.49 6.55 0.05 2.29 -4.77 -1.21 -4.63 116.67 117.43 2pna s ASP 110 Ca 0.10 0.90 0.01 0.00 -3.30 0.00 0.00 52.55 50.26 2pna s ASP 110 Cb -0.13 -2.22 -0.03 0.00 -1.09 0.00 0.00 42.92 39.45 2pna s ASP 110 CO -0.30 -0.18 -0.05 -0.69 0.70 0.00 0.00 175.17 174.65 2pna s VAL 111 N -2.01 0.41 -0.25 2.11 1.01 -1.14 -4.97 120.40 115.56 2pna s VAL 111 Ca 0.47 -1.41 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 2pna s VAL 111 Cb -0.11 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 2pna s VAL 111 CO 0.26 -0.66 0.15 -0.54 0.00 0.00 0.00 175.10 174.30 2pna s LYS 112 N -2.60 3.96 -1.18 2.72 1.02 -1.26 -1.38 119.74 121.02 2pna s LYS 112 Ca -0.02 -0.32 -0.10 0.00 0.02 0.00 0.00 55.97 55.54 2pna s LYS 112 Cb -0.02 -3.52 0.22 0.00 -0.52 0.00 0.00 37.83 33.99 2pna s LYS 112 CO -0.03 -0.03 1.47 -0.11 -0.92 0.00 0.00 175.35 175.72 2pna n LEU 113 N 4.56 5.84 -2.01 3.17 7.94 -1.26 -4.70 117.00 130.54 2pna n LEU 113 Ca -0.15 -4.78 -0.02 0.00 -1.11 0.00 0.00 56.01 49.95 2pna n LEU 113 Cb 0.52 -1.49 0.06 0.00 0.53 0.00 0.00 43.42 43.03 2pna n LEU 113 CO 0.34 1.21 0.09 0.18 -1.11 0.00 0.00 177.39 178.09 2pna n LEU 114 N 3.71 2.05 -3.01 -1.96 4.32 -1.26 -4.47 117.00 116.39 2pna n LEU 114 Ca 0.32 -3.07 -0.17 0.00 -0.02 0.00 0.00 56.01 53.07 2pna n LEU 114 Cb 0.39 0.08 -0.02 0.00 -1.62 0.00 0.00 43.42 42.24 2pna n LEU 114 CO 0.65 1.08 -0.09 -1.22 -1.22 0.00 0.00 177.39 176.59 2pna n TYR 115 N -0.33 -1.59 -1.81 -1.77 4.02 -1.26 -5.13 117.16 109.29 2pna n TYR 115 Ca 0.14 -2.82 -0.31 0.00 -0.01 0.00 0.00 57.90 54.90 2pna n TYR 115 Cb 0.92 0.45 0.02 0.00 -0.02 0.00 0.00 39.34 40.72 2pna n TYR 115 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2pna s PRO 116 N -0.44 3.39 0.02 -0.72 0.04 -1.26 -3.47 135.00 132.56 2pna s PRO 116 Ca 0.34 0.77 0.07 0.00 0.04 0.00 0.00 61.00 62.22 2pna s PRO 116 Cb 0.20 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.66 2pna s PRO 116 CO -0.16 -0.73 -0.22 0.14 0.04 0.00 0.00 177.00 176.07 2pna s VAL 117 N -3.17 1.76 0.00 -0.36 -7.23 -1.25 -4.92 120.40 105.23 2pna s VAL 117 Ca 0.56 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 2pna s VAL 117 Cb -0.12 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.33 2pna s VAL 117 CO 0.54 0.34 0.00 -0.24 -0.31 0.00 0.00 175.10 175.43 2pna n SER 118 N 2.11 0.00 0.00 4.85 2.88 -1.26 -4.64 113.62 117.57 2pna n SER 118 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2pna n SER 118 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2pna n SER 118 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2pna n LYS 119 N 0.00 0.64 0.00 -1.46 4.76 -1.26 -5.15 118.16 115.69 2pna n LYS 119 Ca 0.00 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 2pna n LYS 119 Cb 0.00 -0.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.53 2pna n LYS 119 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69