#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2spc n ASN 1 N 0.00 0.00 -0.15 1.69 6.94 -1.26 -4.84 115.26 117.64 2spc n ASN 1 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.52 2spc n ASN 1 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 2spc n ASN 1 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2spc n LEU 2 N 0.00 -0.38 -0.29 -4.53 7.94 -1.26 -0.47 117.00 118.01 2spc n LEU 2 Ca 0.00 1.10 0.12 0.00 -1.11 0.00 0.00 56.01 56.11 2spc n LEU 2 Cb 0.00 -0.31 0.28 0.00 0.53 0.00 0.00 43.42 43.92 2spc n LEU 2 CO 0.00 -0.75 0.97 0.44 -1.11 0.00 0.00 177.39 176.94 2spc h ASP 3 N 0.00 0.11 -0.21 1.96 3.32 -2.00 0.24 116.42 119.84 2spc h ASP 3 Ca 0.06 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 2spc h ASP 3 Cb 0.15 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 2spc h ASP 3 CO -0.34 -0.09 0.06 0.25 -1.72 0.00 0.00 179.24 177.40 2spc h LEU 4 N 0.28 0.31 -0.25 1.55 6.46 -1.11 -2.39 115.31 120.16 2spc h LEU 4 Ca 0.53 -0.22 0.05 0.00 -0.12 0.00 0.00 57.88 58.13 2spc h LEU 4 Cb 1.04 -0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.84 2spc h LEU 4 CO -0.59 0.44 -0.07 1.56 -0.62 0.00 0.00 178.44 179.16 2spc h GLN 5 N 0.16 -0.02 -0.52 1.25 4.20 0.11 -1.09 115.11 119.21 2spc h GLN 5 Ca 0.07 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.82 2spc h GLN 5 Cb 0.25 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 2spc h GLN 5 CO -0.00 -0.01 0.27 -0.07 -0.67 0.00 0.00 178.83 178.35 2spc h LEU 6 N -0.02 0.39 -0.99 1.46 3.38 -1.10 0.17 115.31 118.61 2spc h LEU 6 Ca 0.12 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2spc h LEU 6 Cb 0.20 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2spc h LEU 6 CO -0.26 0.27 0.23 0.22 0.09 0.00 0.00 178.44 178.99 2spc h TYR 7 N 0.52 0.98 -0.15 1.13 5.03 -1.17 0.22 116.97 123.53 2spc h TYR 7 Ca 0.23 -0.07 -0.14 0.00 2.58 0.00 0.00 58.73 61.33 2spc h TYR 7 Cb 0.13 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.11 2spc h TYR 7 CO -0.10 0.77 -0.52 0.52 -1.32 0.00 0.00 178.16 177.51 2spc h MET 8 N 0.94 0.43 -0.36 1.82 0.00 -0.41 -1.34 114.93 116.01 2spc h MET 8 Ca 0.22 -0.25 -0.07 0.00 0.00 0.00 0.00 59.70 59.59 2spc h MET 8 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 31.60 31.83 2spc h MET 8 CO -0.01 0.84 -0.05 -0.09 0.00 0.00 0.00 176.91 177.60 2spc h ARG 9 N 0.33 0.67 -0.73 1.72 9.65 -0.34 -0.79 114.38 124.88 2spc h ARG 9 Ca 0.01 -0.24 0.08 0.00 -1.10 0.00 0.00 59.98 58.73 2spc h ARG 9 Cb 1.02 -0.05 -0.06 0.00 -1.39 0.00 0.00 29.97 29.49 2spc h ARG 9 CO 0.09 0.81 0.40 -0.44 2.80 0.00 0.00 179.97 183.63 2spc h ASP 10 N 0.47 0.58 -0.65 -3.80 3.32 -0.40 0.16 116.42 116.09 2spc h ASP 10 Ca 0.09 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 2spc h ASP 10 Cb 0.54 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 2spc h ASP 10 CO 0.03 0.35 0.18 0.00 -1.72 0.00 0.00 179.24 178.07 2spc h GLU 12 N 0.96 0.51 -0.50 0.00 5.08 0.12 0.81 114.58 121.57 2spc h GLU 12 Ca 0.21 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2spc h GLU 12 Cb 0.34 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2spc h GLU 12 CO -0.00 0.46 0.25 -0.07 -1.00 0.00 0.00 179.01 178.65 2spc h LEU 13 N 0.43 0.64 -0.24 1.33 3.38 -0.50 0.38 115.31 120.73 2spc h LEU 13 Ca 0.12 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2spc h LEU 13 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2spc h LEU 13 CO -0.02 0.58 0.09 0.00 0.09 0.00 0.00 178.44 179.19 2spc h ALA 14 N 1.09 0.28 -0.09 1.53 0.00 -0.68 -0.33 119.26 121.06 2spc h ALA 14 Ca 0.17 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2spc h ALA 14 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2spc h ALA 14 CO -0.02 -0.32 -0.12 0.93 0.00 0.00 0.00 179.25 179.72 2spc h GLU 15 N 0.21 0.13 -0.44 0.00 5.08 -0.14 -0.72 114.58 118.70 2spc h GLU 15 Ca 0.11 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 2spc h GLU 15 Cb 0.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2spc h GLU 15 CO -0.10 0.26 -0.25 0.66 -1.00 0.00 0.00 179.01 178.58 2spc h SER 16 N 0.13 0.94 -0.90 1.42 4.64 0.14 -1.66 113.55 118.26 2spc h SER 16 Ca 0.03 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 2spc h SER 16 Cb 0.30 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.08 2spc h SER 16 CO 0.02 1.14 0.57 -0.25 -0.87 0.00 0.00 176.83 177.44 2spc h TRP 17 N 0.79 1.15 0.00 4.77 7.01 -0.31 -1.03 115.95 128.32 2spc h TRP 17 Ca 0.10 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.11 2spc h TRP 17 Cb 0.81 -0.38 0.00 0.00 -2.10 0.00 0.00 29.16 27.49 2spc h TRP 17 CO 0.05 0.74 0.00 0.52 -2.79 0.00 0.00 178.44 176.96 2spc h MET 18 N 1.22 0.00 0.00 2.65 2.86 -0.93 -2.20 114.93 118.53 2spc h MET 18 Ca 0.33 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.74 2spc h MET 18 Cb -0.11 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2spc h MET 18 CO -0.07 0.00 -1.17 0.77 1.06 0.00 0.00 176.91 177.51 2spc h SER 19 N 0.00 0.00 -0.06 1.22 0.02 -0.25 -2.35 113.55 112.14 2spc h SER 19 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2spc h SER 19 Cb 0.60 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.14 2spc h SER 19 CO 0.00 0.98 -0.08 0.00 -1.14 0.00 0.00 176.83 176.59 2spc h ALA 20 N 1.02 0.08 0.37 3.77 0.00 -0.95 -1.75 119.26 121.81 2spc h ALA 20 Ca -0.08 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2spc h ALA 20 Cb 1.82 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 2spc h ALA 20 CO 0.11 -0.09 -0.48 -0.09 0.00 0.00 0.00 179.25 178.70 2spc h ARG 21 N -0.32 -0.86 -0.26 0.00 9.65 -1.49 0.19 114.38 121.28 2spc h ARG 21 Ca 0.01 0.06 0.08 0.00 -1.10 0.00 0.00 59.98 59.02 2spc h ARG 21 Cb 0.61 0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 2spc h ARG 21 CO 0.02 -0.57 0.38 1.49 2.80 0.00 0.00 179.97 184.09 2spc h GLU 22 N -0.89 0.00 0.05 0.20 4.81 -1.50 0.27 114.58 117.52 2spc h GLU 22 Ca -0.04 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2spc h GLU 22 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2spc h GLU 22 CO -0.13 0.00 -0.02 0.00 -0.73 0.00 0.00 179.01 178.13 2spc h ALA 23 N 1.49 -0.06 -0.90 2.92 0.00 0.24 -2.58 119.26 120.36 2spc h ALA 23 Ca 0.13 -0.32 0.17 0.00 0.00 0.00 0.00 54.91 54.89 2spc h ALA 23 Cb 0.88 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 2spc h ALA 23 CO -0.00 -0.15 0.47 0.35 0.00 0.00 0.00 179.25 179.92 2spc h PHE 24 N -0.83 0.82 -0.79 0.00 3.57 0.59 1.21 116.94 121.52 2spc h PHE 24 Ca -0.01 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.62 2spc h PHE 24 Cb 0.67 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 2spc h PHE 24 CO 0.16 0.15 0.52 -0.07 -2.23 0.00 0.00 178.31 176.83 2spc h LEU 25 N 0.61 0.69 -0.30 0.59 3.38 -0.51 0.36 115.31 120.14 2spc h LEU 25 Ca 0.51 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 2spc h LEU 25 Cb 0.81 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2spc h LEU 25 CO -0.40 0.42 0.16 -1.13 0.09 0.00 0.00 178.44 177.58 2spc h ASN 26 N 0.77 0.37 0.71 -0.43 -1.24 0.19 4.77 115.58 120.73 2spc h ASN 26 Ca 0.36 -0.10 -0.03 0.00 0.71 0.00 0.00 56.30 57.24 2spc h ASN 26 Cb 0.38 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 2spc h ASN 26 CO -0.13 0.36 -0.49 0.00 -1.29 0.00 0.00 177.43 175.88 2spc h ALA 27 N 1.03 -1.24 -0.77 1.57 0.00 -0.78 -2.05 119.26 117.02 2spc h ALA 27 Ca 0.10 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 54.94 2spc h ALA 27 Cb 0.08 0.63 -0.11 0.00 0.00 0.00 0.00 17.79 18.39 2spc h ALA 27 CO -0.02 -1.21 0.24 0.22 0.00 0.00 0.00 179.25 178.48 2spc h ASP 28 N -1.14 0.13 -0.58 0.00 3.58 0.09 -1.31 116.42 117.20 2spc h ASP 28 Ca -0.09 0.14 0.18 0.00 0.42 0.00 0.00 57.03 57.67 2spc h ASP 28 Cb 0.93 0.16 -0.03 0.00 1.72 0.00 0.00 39.33 42.10 2spc h ASP 28 CO 0.06 0.01 0.41 -0.67 -2.88 0.00 0.00 179.24 176.17 2spc n ASP 29 N -5.10 0.03 -0.01 2.28 -0.08 1.56 0.49 116.55 115.72 2spc n ASP 29 Ca 0.15 0.38 -0.03 0.00 -1.51 0.00 0.00 54.79 53.79 2spc n ASP 29 Cb 0.48 -0.19 -0.01 0.00 2.34 0.00 0.00 41.12 43.74 2spc n ASP 29 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2spc n ASP 30 N -2.89 0.94 0.00 1.67 5.75 -0.67 -4.93 116.55 116.43 2spc n ASP 30 Ca 0.14 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 2spc n ASP 30 Cb 0.62 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 2spc n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2spc n ALA 31 N -3.41 0.00 -2.57 2.12 0.00 0.18 -4.79 120.51 112.04 2spc n ALA 31 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 2spc n ALA 31 Cb 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 2spc n ALA 31 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2spc s ASN 32 N 0.00 6.24 -0.28 0.00 2.47 -1.26 -4.91 114.94 117.20 2spc s ASN 32 Ca 0.00 0.04 0.13 0.00 0.42 0.00 0.00 52.86 53.45 2spc s ASN 32 Cb 0.00 -2.22 0.48 0.00 -1.45 0.00 0.00 41.25 38.06 2spc s ASN 32 CO 0.00 -0.30 1.16 0.00 -3.72 0.00 0.00 177.10 174.24 2spc n ALA 33 N 5.43 4.15 -0.26 1.71 0.00 -1.26 -5.05 120.51 125.24 2spc n ALA 33 Ca -0.08 -3.42 0.00 0.00 0.00 0.00 0.00 53.44 49.94 2spc n ALA 33 Cb 0.50 -0.51 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2spc n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2spc n GLY 34 N -0.67 1.73 0.00 0.00 0.00 -1.26 -4.92 105.19 100.07 2spc n GLY 34 Ca 0.31 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2spc n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2spc n GLY 35 N 0.00 1.72 3.50 -0.02 0.00 -1.26 -5.04 105.19 104.10 2spc n GLY 35 Ca 0.00 -1.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 2spc n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2spc s ASN 36 N -0.27 3.79 0.00 1.61 2.20 -1.26 -4.94 114.94 116.06 2spc s ASN 36 Ca 0.00 -0.90 0.00 0.00 -0.94 0.00 0.00 52.86 51.02 2spc s ASN 36 Cb 0.00 -0.42 0.00 0.00 -2.00 0.00 0.00 41.25 38.83 2spc s ASN 36 CO 0.00 0.05 0.67 0.52 -2.94 0.00 0.00 177.10 175.40 2spc n VAL 37 N -0.49 0.00 -0.32 3.54 0.31 -1.26 -0.67 118.33 119.45 2spc n VAL 37 Ca -0.07 1.05 0.18 0.00 -0.01 0.00 0.00 64.34 65.49 2spc n VAL 37 Cb 0.59 -1.43 0.38 0.00 -0.91 0.00 0.00 33.84 32.46 2spc n VAL 37 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2spc h GLU 38 N 0.00 0.25 0.01 5.55 5.08 -1.98 0.43 114.58 123.92 2spc h GLU 38 Ca 0.00 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.13 2spc h GLU 38 Cb 0.00 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2spc h GLU 38 CO 0.00 0.16 -1.03 0.00 -1.00 0.00 0.00 179.01 177.15 2spc h ALA 39 N 1.82 0.32 0.07 3.43 0.00 -1.72 -1.87 119.26 121.32 2spc h ALA 39 Ca 0.64 -0.91 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2spc h ALA 39 Cb 1.38 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2spc h ALA 39 CO -0.64 1.22 -0.03 -0.07 0.00 0.00 0.00 179.25 179.72 2spc h LEU 40 N 0.01 -0.08 -1.21 0.00 3.38 0.61 -1.36 115.31 116.65 2spc h LEU 40 Ca -0.02 -0.24 0.15 0.00 0.09 0.00 0.00 57.88 57.85 2spc h LEU 40 Cb 1.79 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 42.48 2spc h LEU 40 CO 0.14 0.20 0.59 0.40 0.09 0.00 0.00 178.44 179.86 2spc h ILE 41 N -0.36 0.82 0.00 1.22 2.04 -1.00 0.56 117.51 120.80 2spc h ILE 41 Ca -0.01 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 2spc h ILE 41 Cb 0.31 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2spc h ILE 41 CO 0.02 0.14 -0.41 0.50 0.00 0.00 0.00 178.15 178.40 2spc h LYS 42 N 0.74 0.00 0.05 2.37 3.64 -1.10 -2.04 116.57 120.24 2spc h LYS 42 Ca 0.48 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.85 2spc h LYS 42 Cb 0.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2spc h LYS 42 CO -0.24 0.41 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.10 2spc h LYS 43 N 0.00 -0.07 -0.14 1.90 3.64 0.19 -1.46 116.57 120.63 2spc h LYS 43 Ca -0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2spc h LYS 43 Cb 1.08 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.85 2spc h LYS 43 CO 0.05 0.46 -0.39 1.25 -2.27 0.00 0.00 179.45 178.56 2spc h HIS 44 N -0.64 -1.10 -0.95 1.91 2.76 -1.10 -0.04 115.15 116.00 2spc h HIS 44 Ca -0.01 0.05 0.16 0.00 -2.20 0.00 0.00 60.37 58.37 2spc h HIS 44 Cb 0.56 0.50 -0.10 0.00 1.55 0.00 0.00 27.41 29.92 2spc h HIS 44 CO 0.11 -0.45 0.55 0.93 -1.30 0.00 0.00 177.93 177.77 2spc h GLU 45 N -0.45 0.72 0.00 5.26 5.08 -1.40 0.25 114.58 124.04 2spc h GLU 45 Ca 0.09 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2spc h GLU 45 Cb 0.60 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2spc h GLU 45 CO -0.39 0.48 -0.08 -0.44 -1.00 0.00 0.00 179.01 177.57 2spc h ASP 46 N 0.75 0.00 0.07 1.42 3.32 0.08 -1.10 116.42 120.96 2spc h ASP 46 Ca 0.52 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.57 2spc h ASP 46 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2spc h ASP 46 CO -0.36 0.08 -0.03 -0.26 -1.72 0.00 0.00 179.24 176.95 2spc h PHE 47 N 0.00 -0.09 -0.73 4.55 0.04 0.49 -2.44 116.94 118.76 2spc h PHE 47 Ca -0.00 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.90 2spc h PHE 47 Cb 0.16 0.03 -0.09 0.00 2.20 0.00 0.00 35.95 38.25 2spc h PHE 47 CO 0.00 0.47 0.26 -0.44 -0.60 0.00 0.00 178.31 178.01 2spc h ASP 48 N -0.78 0.22 -0.60 2.17 3.32 -1.00 0.23 116.42 119.98 2spc h ASP 48 Ca -0.01 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2spc h ASP 48 Cb 0.60 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 2spc h ASP 48 CO 0.02 0.08 0.30 0.11 -1.72 0.00 0.00 179.24 178.03 2spc h LYS 49 N 0.40 0.86 -0.49 3.56 1.57 -1.20 0.03 116.57 121.30 2spc h LYS 49 Ca 0.40 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.97 2spc h LYS 49 Cb 0.60 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2spc h LYS 49 CO -0.41 0.68 -0.03 0.00 -0.57 0.00 0.00 179.45 179.12 2spc h ALA 50 N 1.13 0.66 -0.78 3.86 0.00 -0.73 -1.28 119.26 122.12 2spc h ALA 50 Ca 0.21 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2spc h ALA 50 Cb 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2spc h ALA 50 CO -0.03 0.50 0.51 0.82 0.00 0.00 0.00 179.25 181.05 2spc h ILE 51 N 0.74 1.01 0.00 0.00 2.04 -0.09 -0.91 117.51 120.30 2spc h ILE 51 Ca 0.13 -0.28 -0.16 0.00 1.00 0.00 0.00 64.86 65.56 2spc h ILE 51 Cb 0.56 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2spc h ILE 51 CO 0.03 0.15 -0.74 -1.13 0.00 0.00 0.00 178.15 176.46 2spc h ASN 52 N 0.81 0.00 -0.17 1.72 -1.24 -0.58 -2.62 115.58 113.50 2spc h ASN 52 Ca 0.34 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 57.22 2spc h ASN 52 Cb 0.29 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.34 2spc h ASN 52 CO -0.12 0.74 -0.40 1.23 -1.29 0.00 0.00 177.43 177.59 2spc h GLY 53 N 2.46 0.63 0.96 1.57 0.00 -0.29 -1.99 103.07 106.41 2spc h GLY 53 Ca -0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 2spc h GLY 53 CO 0.10 0.69 0.22 0.45 0.00 0.00 0.00 176.54 177.99 2spc h HIS 54 N 0.23 0.62 -0.55 5.60 3.86 -1.25 -0.55 115.15 123.10 2spc h HIS 54 Ca -0.00 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.15 2spc h HIS 54 Cb 1.00 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 29.25 2spc h HIS 54 CO 0.10 0.49 0.22 0.93 0.86 0.00 0.00 177.93 180.53 2spc h GLU 55 N 0.56 0.79 -0.28 2.45 5.08 -1.46 -1.64 114.58 120.07 2spc h GLU 55 Ca 0.15 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 2spc h GLU 55 Cb 0.10 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 2spc h GLU 55 CO -0.02 0.65 -0.30 1.96 -1.00 0.00 0.00 179.01 180.29 2spc h GLN 56 N 0.78 0.71 -0.15 2.33 4.20 -0.82 -1.77 115.11 120.39 2spc h GLN 56 Ca 0.19 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2spc h GLN 56 Cb 0.15 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2spc h GLN 56 CO -0.02 1.00 0.10 -0.22 -0.67 0.00 0.00 178.83 179.02 2spc h LYS 57 N 0.45 0.20 -0.44 1.46 3.64 -0.72 -1.87 116.57 119.28 2spc h LYS 57 Ca 0.04 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 2spc h LYS 57 Cb 0.88 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.59 2spc h LYS 57 CO 0.07 0.13 0.08 0.82 -2.27 0.00 0.00 179.45 178.29 2spc h ILE 58 N 0.20 0.76 -0.49 2.00 5.03 -1.26 0.39 117.51 124.15 2spc h ILE 58 Ca 0.06 -0.07 0.02 0.00 -0.12 0.00 0.00 64.86 64.75 2spc h ILE 58 Cb -0.02 0.53 -0.03 0.00 -3.03 0.00 0.00 36.82 34.26 2spc h ILE 58 CO -0.02 0.04 0.29 0.00 -0.68 0.00 0.00 178.15 177.78 2spc h ALA 59 N 1.34 0.62 0.00 1.87 0.00 -1.17 0.40 119.26 122.31 2spc h ALA 59 Ca 0.22 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2spc h ALA 59 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2spc h ALA 59 CO -0.28 -0.02 -0.33 0.00 0.00 0.00 0.00 179.25 178.61 2spc h ALA 60 N 1.22 1.39 -0.33 0.00 0.00 -0.41 -1.55 119.26 119.58 2spc h ALA 60 Ca 0.20 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2spc h ALA 60 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2spc h ALA 60 CO -0.09 0.42 -0.45 -0.07 0.00 0.00 0.00 179.25 179.06 2spc h LEU 61 N 0.00 0.93 -0.27 0.00 3.38 0.17 -2.82 115.31 116.70 2spc h LEU 61 Ca -0.00 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.56 2spc h LEU 61 Cb 0.61 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2spc h LEU 61 CO 0.04 1.23 0.00 -0.61 0.09 0.00 0.00 178.44 179.20 2spc h GLN 62 N 0.68 0.08 -0.53 1.13 4.15 -0.45 -1.01 115.11 119.16 2spc h GLN 62 Ca 0.04 -0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.54 2spc h GLN 62 Cb 1.04 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.64 2spc h GLN 62 CO 0.10 0.05 0.16 1.15 -1.93 0.00 0.00 178.83 178.37 2spc h THR 63 N 0.08 0.77 -0.82 2.39 2.02 -1.18 0.14 112.91 116.31 2spc h THR 63 Ca 0.13 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 2spc h THR 63 Cb 0.17 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.95 2spc h THR 63 CO -0.21 0.06 0.36 0.58 0.37 0.00 0.00 175.52 176.67 2spc h VAL 64 N 0.33 1.26 0.12 3.16 2.07 -1.17 -1.36 116.25 120.66 2spc h VAL 64 Ca 0.26 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2spc h VAL 64 Cb 0.32 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2spc h VAL 64 CO -0.29 0.33 -0.06 0.00 0.02 0.00 0.00 177.57 177.56 2spc h ALA 65 N 1.20 -0.17 -0.75 1.67 0.00 0.09 0.11 119.26 121.42 2spc h ALA 65 Ca 0.28 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.25 2spc h ALA 65 Cb 0.17 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2spc h ALA 65 CO -0.03 -0.60 0.38 -0.44 0.00 0.00 0.00 179.25 178.57 2spc h ASP 66 N -0.17 0.50 -0.68 0.00 3.32 -0.56 0.38 116.42 119.20 2spc h ASP 66 Ca -0.02 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 2spc h ASP 66 Cb 0.13 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2spc h ASP 66 CO 0.02 0.28 0.26 1.56 -1.72 0.00 0.00 179.24 179.63 2spc h GLN 67 N 0.63 1.03 -0.24 3.56 4.20 -0.68 -0.18 115.11 123.43 2spc h GLN 67 Ca 0.37 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 2spc h GLN 67 Cb 0.40 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2spc h GLN 67 CO -0.28 0.87 0.08 -0.07 -0.67 0.00 0.00 178.83 178.76 2spc h LEU 68 N 0.98 0.35 -0.85 1.46 3.38 0.13 -1.66 115.31 119.11 2spc h LEU 68 Ca 0.23 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2spc h LEU 68 Cb 0.24 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2spc h LEU 68 CO -0.02 0.46 0.40 0.40 0.09 0.00 0.00 178.44 179.77 2spc h ILE 69 N 0.23 1.26 -0.61 1.22 2.04 -0.80 -1.13 117.51 119.72 2spc h ILE 69 Ca 0.08 -0.75 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 2spc h ILE 69 Cb 0.23 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2spc h ILE 69 CO -0.00 0.32 0.13 0.00 0.00 0.00 0.00 178.15 178.59 2spc h ALA 70 N 1.22 1.08 -0.33 1.87 0.00 -0.82 0.88 119.26 123.16 2spc h ALA 70 Ca 0.29 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2spc h ALA 70 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2spc h ALA 70 CO -0.03 0.61 0.03 0.37 0.00 0.00 0.00 179.25 180.22 2spc h GLN 71 N 0.92 0.56 -0.57 0.00 4.15 -1.00 -0.83 115.11 118.33 2spc h GLN 71 Ca 0.19 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 2spc h GLN 71 Cb 0.36 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2spc h GLN 71 CO 0.00 0.66 0.09 -0.91 -1.93 0.00 0.00 178.83 176.75 2spc h ASN 72 N 0.37 0.91 -0.58 -0.69 2.35 -0.96 -2.02 115.58 114.96 2spc h ASN 72 Ca 0.10 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.58 2spc h ASN 72 Cb 0.39 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 2spc h ASN 72 CO 0.01 0.93 0.33 0.45 -1.65 0.00 0.00 177.43 177.50 2spc h HIS 73 N 0.84 0.78 -0.16 1.19 3.86 -0.60 -0.73 115.15 120.33 2spc h HIS 73 Ca 0.17 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.41 2spc h HIS 73 Cb 0.41 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 2spc h HIS 73 CO 0.03 0.56 -0.08 -0.92 0.86 0.00 0.00 177.93 178.38 2spc h TYR 74 N 0.78 -0.19 -0.56 2.45 3.20 -0.92 -1.29 116.97 120.44 2spc h TYR 74 Ca 0.21 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 2spc h TYR 74 Cb 0.02 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 2spc h TYR 74 CO -0.02 -0.13 0.32 0.00 -1.64 0.00 0.00 178.16 176.70 2spc h ALA 75 N 1.08 0.72 -0.69 1.82 0.00 -1.09 -0.18 119.26 120.91 2spc h ALA 75 Ca 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2spc h ALA 75 Cb 0.20 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2spc h ALA 75 CO -0.20 0.22 0.35 0.77 0.00 0.00 0.00 179.25 180.39 2spc h SER 76 N 0.76 0.87 -0.60 0.00 0.02 -0.89 -1.18 113.55 112.54 2spc h SER 76 Ca 0.20 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.97 2spc h SER 76 Cb 0.02 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 2spc h SER 76 CO -0.03 0.72 -0.01 -1.13 -1.14 0.00 0.00 176.83 175.24 2spc h ASN 77 N 0.97 1.05 0.09 3.07 -0.73 -0.68 0.18 115.58 119.54 2spc h ASN 77 Ca 0.24 -0.30 -0.00 0.00 1.87 0.00 0.00 56.30 58.10 2spc h ASN 77 Cb 0.07 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.37 2spc h ASN 77 CO -0.04 1.10 -0.04 -0.07 -0.37 0.00 0.00 177.43 178.02 2spc h LEU 78 N 0.97 -0.10 0.02 0.34 3.38 -0.52 0.89 115.31 120.29 2spc h LEU 78 Ca 0.17 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2spc h LEU 78 Cb 0.57 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 2spc h LEU 78 CO 0.03 -0.01 -0.27 0.58 0.09 0.00 0.00 178.44 178.86 2spc h VAL 79 N -0.20 0.39 -0.44 1.22 2.07 -1.06 -1.10 116.25 117.12 2spc h VAL 79 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2spc h VAL 79 Cb 0.16 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2spc h VAL 79 CO 0.02 0.00 0.26 -0.78 0.02 0.00 0.00 177.57 177.09 2spc h ASP 80 N -0.43 0.42 -0.70 0.57 3.58 -0.57 -2.23 116.42 117.05 2spc h ASP 80 Ca 0.06 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.44 2spc h ASP 80 Cb 0.51 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 2spc h ASP 80 CO -0.22 0.30 0.18 -0.33 -2.88 0.00 0.00 179.24 176.28 2spc h GLU 81 N 0.52 1.13 -0.38 0.28 4.39 -0.61 -1.08 114.58 118.83 2spc h GLU 81 Ca 0.18 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2spc h GLU 81 Cb 0.01 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2spc h GLU 81 CO -0.08 0.99 0.19 -0.22 -1.16 0.00 0.00 179.01 178.72 2spc h LYS 82 N 1.07 0.54 -0.47 2.33 1.63 -0.94 -1.29 116.57 119.44 2spc h LYS 82 Ca 0.22 -0.07 0.07 0.00 -0.85 0.00 0.00 60.65 60.02 2spc h LYS 82 Cb 0.36 -0.10 -0.06 0.00 -0.60 0.00 0.00 32.23 31.83 2spc h LYS 82 CO 0.00 0.47 0.14 -0.09 -3.45 0.00 0.00 179.45 176.51 2spc h ARG 83 N 0.48 0.28 -0.82 1.90 1.12 -1.13 0.11 114.38 116.32 2spc h ARG 83 Ca 0.13 -0.02 0.03 0.00 -1.11 0.00 0.00 59.98 59.01 2spc h ARG 83 Cb 0.10 -0.06 -0.05 0.00 -0.01 0.00 0.00 29.97 29.95 2spc h ARG 83 CO -0.02 0.19 0.52 0.87 -3.11 0.00 0.00 179.97 178.42 2spc h LYS 84 N 0.29 0.99 0.08 0.20 1.57 -0.90 -1.28 116.57 117.53 2spc h LYS 84 Ca 0.23 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2spc h LYS 84 Cb 0.27 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2spc h LYS 84 CO -0.26 0.66 -0.04 1.96 -0.57 0.00 0.00 179.45 181.19 2spc h GLN 85 N 1.02 -0.10 -0.54 3.15 4.20 0.09 0.77 115.11 123.70 2spc h GLN 85 Ca 0.33 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.10 2spc h GLN 85 Cb 0.00 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.76 2spc h GLN 85 CO -0.11 0.04 0.26 0.28 -0.67 0.00 0.00 178.83 178.62 2spc h VAL 86 N -0.23 0.92 -0.44 -0.54 2.07 -0.66 -1.03 116.25 116.34 2spc h VAL 86 Ca -0.01 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 2spc h VAL 86 Cb 0.19 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2spc h VAL 86 CO 0.02 0.09 0.06 -0.07 0.02 0.00 0.00 177.57 177.69 2spc h LEU 87 N 0.50 0.64 -0.03 2.57 3.38 -0.95 0.17 115.31 121.59 2spc h LEU 87 Ca 0.24 -0.12 -0.26 0.00 0.09 0.00 0.00 57.88 57.83 2spc h LEU 87 Cb 0.18 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.78 2spc h LEU 87 CO -0.18 0.68 -1.03 -0.08 0.09 0.00 0.00 178.44 177.91 2spc h GLU 88 N 0.66 0.66 -0.85 1.13 4.57 -0.14 -0.68 114.58 119.93 2spc h GLU 88 Ca 0.14 -0.71 0.03 0.00 -1.18 0.00 0.00 59.36 57.64 2spc h GLU 88 Cb 0.32 0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 29.07 2spc h GLU 88 CO 0.01 1.30 0.55 -0.09 -1.18 0.00 0.00 179.01 179.60 2spc h ARG 89 N 0.38 1.06 -0.43 1.92 2.43 -0.98 -2.29 114.38 116.46 2spc h ARG 89 Ca -0.12 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.95 2spc h ARG 89 Cb 1.68 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.97 2spc h ARG 89 CO 0.20 0.70 0.12 2.35 -1.51 0.00 0.00 179.97 181.82 2spc h TRP 90 N 1.09 0.72 -0.78 2.20 -0.00 -0.53 -2.30 115.95 116.34 2spc h TRP 90 Ca 0.34 -0.08 0.06 0.00 -0.00 0.00 0.00 58.89 59.20 2spc h TRP 90 Cb -0.02 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.16 28.89 2spc h TRP 90 CO -0.02 0.66 0.51 -0.09 -0.00 0.00 0.00 178.44 179.51 2spc h ARG 91 N 0.56 0.85 -0.18 2.65 2.43 -0.75 -0.11 114.38 119.83 2spc h ARG 91 Ca 0.14 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 2spc h ARG 91 Cb 0.30 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2spc h ARG 91 CO -0.00 0.56 -0.30 1.25 -1.51 0.00 0.00 179.97 179.97 2spc h HIS 92 N 0.87 0.64 -0.09 2.20 2.76 -1.16 -2.69 115.15 117.68 2spc h HIS 92 Ca 0.33 -0.22 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2spc h HIS 92 Cb 0.19 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.03 2spc h HIS 92 CO -0.00 0.94 0.02 1.25 -1.30 0.00 0.00 177.93 178.83 2spc h LEU 93 N 0.17 0.15 -0.97 0.26 5.85 -1.14 -3.04 115.31 116.59 2spc h LEU 93 Ca 0.01 -0.25 0.13 0.00 0.84 0.00 0.00 57.88 58.62 2spc h LEU 93 Cb 0.88 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.78 2spc h LEU 93 CO 0.07 0.36 0.59 0.50 -0.34 0.00 0.00 178.44 179.61 2spc h LYS 94 N -0.07 0.87 -0.46 1.25 3.64 -1.09 -0.07 116.57 120.64 2spc h LYS 94 Ca 0.03 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2spc h LYS 94 Cb 0.27 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 2spc h LYS 94 CO 0.00 0.57 0.19 0.93 -2.27 0.00 0.00 179.45 178.87 2spc h GLU 95 N 0.89 0.37 -0.16 1.90 5.08 -1.42 -0.58 114.58 120.66 2spc h GLU 95 Ca 0.50 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.67 2spc h GLU 95 Cb 0.57 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2spc h GLU 95 CO -0.30 0.24 -0.58 0.78 -1.00 0.00 0.00 179.01 178.15 2spc h GLY 96 N 0.38 0.57 1.20 -3.84 0.00 -1.15 -2.87 103.07 97.36 2spc h GLY 96 Ca 0.21 -0.69 -0.15 0.00 0.00 0.00 0.00 47.33 46.70 2spc h GLY 96 CO -0.19 0.62 -0.36 1.41 0.00 0.00 0.00 176.54 178.02 2spc h LEU 97 N 0.40 0.93 -1.38 3.11 3.38 -0.59 -1.64 115.31 119.52 2spc h LEU 97 Ca 0.00 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 2spc h LEU 97 Cb 1.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2spc h LEU 97 CO 0.11 1.19 -0.21 0.40 0.09 0.00 0.00 178.44 180.02 2spc h ILE 98 N 0.73 1.20 0.01 1.22 1.08 -1.14 0.17 117.51 120.77 2spc h ILE 98 Ca 0.07 -0.91 -0.00 0.00 -0.39 0.00 0.00 64.86 63.63 2spc h ILE 98 Cb 0.94 1.37 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 2spc h ILE 98 CO 0.09 0.27 -0.00 -0.08 -0.69 0.00 0.00 178.15 177.73 2spc h GLU 99 N 0.13 -0.01 0.00 2.37 4.81 -1.26 -2.77 114.58 117.86 2spc h GLU 99 Ca 0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2spc h GLU 99 Cb 0.46 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 2spc h GLU 99 CO 0.03 0.71 -0.11 0.87 -0.73 0.00 0.00 179.01 179.78 2spc h LYS 100 N -0.75 0.00 0.00 1.92 1.57 -1.27 -3.21 116.57 114.82 2spc h LYS 100 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2spc h LYS 100 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2spc h LYS 100 CO 0.00 0.11 0.00 -2.13 -0.57 0.00 0.00 179.45 176.86 2spc n ARG 101 N -3.19 0.00 -0.49 3.15 0.63 0.59 -3.75 116.66 113.60 2spc n ARG 101 Ca 0.01 0.38 0.38 0.00 -0.92 0.00 0.00 57.85 57.71 2spc n ARG 101 Cb 0.44 -1.27 0.58 0.00 0.45 0.00 0.00 32.46 32.66 2spc n ARG 101 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2spc n SER 102 N -1.64 0.00 -0.01 6.15 3.41 -1.05 0.16 113.62 120.65 2spc n SER 102 Ca 0.00 0.72 -0.13 0.00 -0.26 0.00 0.00 58.87 59.20 2spc n SER 102 Cb 0.00 -0.35 -0.09 0.00 -0.26 0.00 0.00 64.21 63.51 2spc n SER 102 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2spc h ARG 103 N 0.00 0.01 -3.07 4.33 0.11 -1.67 -0.41 114.38 113.69 2spc h ARG 103 Ca 0.67 -0.01 -0.55 0.00 0.10 0.00 0.00 59.98 60.19 2spc h ARG 103 Cb 2.74 -0.00 0.02 0.00 1.11 0.00 0.00 29.97 33.84 2spc h ARG 103 CO -0.01 0.40 3.22 -0.11 0.10 0.00 0.00 179.97 183.58 2spc n LEU 104 N -4.89 7.37 0.04 0.08 7.94 0.43 -3.52 117.00 124.45 2spc n LEU 104 Ca -0.08 -3.83 0.00 0.00 -1.11 0.00 0.00 56.01 50.99 2spc n LEU 104 Cb 0.21 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 42.76 2spc n LEU 104 CO 0.34 1.61 0.00 0.61 -1.11 0.00 0.00 177.39 178.83 2spc n GLY 105 N 3.57 -0.85 0.00 -3.96 0.00 -1.11 -4.89 105.19 97.96 2spc n GLY 105 Ca 0.66 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.93 2spc n GLY 105 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54