#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cru s SER 2 N 0.00 2.47 0.30 1.61 0.01 -1.26 -5.15 113.70 111.69 2cru s SER 2 Ca 0.00 -0.71 -0.04 0.00 1.31 0.00 0.00 55.95 56.51 2cru s SER 2 Cb 0.00 -0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.05 2cru s SER 2 CO 0.00 0.03 0.56 -0.94 0.41 0.00 0.00 173.24 173.29 2cru s SER 3 N -2.03 6.41 -0.01 2.44 1.04 -1.26 -5.09 113.70 115.20 2cru s SER 3 Ca 0.07 0.67 -0.09 0.00 0.48 0.00 0.00 55.95 57.08 2cru s SER 3 Cb -0.09 -2.13 -0.05 0.00 0.10 0.00 0.00 66.02 63.85 2cru s SER 3 CO 0.04 -0.22 0.30 -0.83 0.98 0.00 0.00 173.24 173.51 2cru s GLY 4 N -3.34 2.31 -0.04 7.32 0.00 -1.26 -4.99 107.32 107.31 2cru s GLY 4 Ca 0.43 -0.46 -0.01 0.00 0.00 0.00 0.00 44.72 44.68 2cru s GLY 4 CO 0.32 -0.21 -0.04 -1.14 0.00 0.00 0.00 173.10 172.02 2cru n SER 5 N 1.44 2.28 -0.00 1.64 3.41 -1.26 -4.77 113.62 116.35 2cru n SER 5 Ca -0.13 0.01 -0.17 0.00 -0.26 0.00 0.00 58.87 58.32 2cru n SER 5 Cb 0.53 -0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 2cru n SER 5 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2cru h SER 6 N -0.06 0.57 -0.12 4.04 4.64 -2.06 -3.49 113.55 117.06 2cru h SER 6 Ca -0.09 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.50 2cru h SER 6 Cb 1.12 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2cru h SER 6 CO -0.03 1.21 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 2cru n GLY 7 N 0.96 -0.08 3.57 -0.77 0.00 -1.26 -4.51 105.19 103.10 2cru n GLY 7 Ca -0.10 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 2cru n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cru s LEU 8 N 0.00 3.38 -0.48 0.99 2.96 -1.26 -4.95 118.68 119.32 2cru s LEU 8 Ca 0.00 0.09 0.03 0.00 -0.22 0.00 0.00 54.13 54.03 2cru s LEU 8 Cb 0.00 -3.02 0.13 0.00 0.50 0.00 0.00 46.19 43.81 2cru s LEU 8 CO 0.00 -1.64 0.25 -0.13 -1.32 0.00 0.00 176.35 173.50 2cru s ARG 9 N 5.33 1.67 0.43 1.98 1.81 -1.26 -5.11 118.95 123.80 2cru s ARG 9 Ca 0.46 -2.34 -0.22 0.00 -1.72 0.00 0.00 55.73 51.91 2cru s ARG 9 Cb -0.09 -2.89 -0.10 0.00 -0.45 0.00 0.00 34.95 31.42 2cru s ARG 9 CO 0.23 -1.13 0.99 1.03 -0.68 0.00 0.00 175.30 175.74 2cru s ARG 10 N 0.01 4.13 -0.06 3.54 0.52 -1.26 -5.07 118.95 120.77 2cru s ARG 10 Ca 0.17 1.25 -0.26 0.00 -0.52 0.00 0.00 55.73 56.38 2cru s ARG 10 Cb -0.25 -2.25 0.06 0.00 0.52 0.00 0.00 34.95 33.02 2cru s ARG 10 CO -0.00 -0.13 0.58 -0.65 0.02 0.00 0.00 175.30 175.12 2cru s GLN 11 N -3.01 0.92 0.22 3.54 -1.52 -1.26 -5.18 119.66 113.37 2cru s GLN 11 Ca 0.62 0.20 0.11 0.00 -1.95 0.00 0.00 55.36 54.33 2cru s GLN 11 Cb -0.13 0.43 -0.05 0.00 -0.22 0.00 0.00 33.01 33.04 2cru s GLN 11 CO 0.18 -0.27 -0.20 1.03 -0.25 0.00 0.00 175.29 175.78 2cru s ARG 12 N -1.08 1.50 -0.39 2.91 1.81 -1.26 -5.12 118.95 117.32 2cru s ARG 12 Ca -0.11 -1.60 -0.14 0.00 -1.72 0.00 0.00 55.73 52.16 2cru s ARG 12 Cb -0.02 -1.61 0.01 0.00 -0.45 0.00 0.00 34.95 32.89 2cru s ARG 12 CO 0.08 0.32 0.28 -0.51 -0.68 0.00 0.00 175.30 174.78 2cru s LEU 13 N -3.07 4.96 -0.01 2.53 2.01 -1.26 -4.88 118.68 118.96 2cru s LEU 13 Ca 0.23 -0.80 0.11 0.00 0.01 0.00 0.00 54.13 53.68 2cru s LEU 13 Cb -0.05 -2.15 -0.14 0.00 0.01 0.00 0.00 46.19 43.86 2cru s LEU 13 CO 0.11 -0.40 0.35 0.00 1.01 0.00 0.00 176.35 177.41 2cru n ALA 14 N 5.14 2.92 -3.14 4.21 0.00 -1.26 -5.01 120.51 123.37 2cru n ALA 14 Ca -0.11 -0.28 -0.12 0.00 0.00 0.00 0.00 53.44 52.92 2cru n ALA 14 Cb 0.48 -0.37 -0.11 0.00 0.00 0.00 0.00 19.45 19.44 2cru n ALA 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2cru s GLU 15 N -2.34 0.37 0.26 0.00 -1.05 -1.26 -5.17 118.70 109.51 2cru s GLU 15 Ca 0.00 0.13 0.01 0.00 -0.15 0.00 0.00 54.97 54.97 2cru s GLU 15 Cb 0.07 0.17 -0.03 0.00 -0.44 0.00 0.00 34.13 33.90 2cru s GLU 15 CO 0.44 -0.07 0.24 -0.51 0.95 0.00 0.00 175.26 176.31 2cru s LEU 16 N -0.34 1.32 -0.10 1.83 1.43 -1.26 -5.16 118.68 116.40 2cru s LEU 16 Ca -0.04 -1.51 0.03 0.00 -1.03 0.00 0.00 54.13 51.57 2cru s LEU 16 Cb -0.03 0.62 0.01 0.00 0.03 0.00 0.00 46.19 46.82 2cru s LEU 16 CO 0.01 -0.98 -0.20 0.00 0.23 0.00 0.00 176.35 175.41 2cru s GLN 17 N -3.78 2.63 -0.29 1.70 -2.07 -1.26 -5.11 119.66 111.48 2cru s GLN 17 Ca 0.38 -0.73 -0.24 0.00 -1.82 0.00 0.00 55.36 52.95 2cru s GLN 17 Cb 0.04 -2.05 0.17 0.00 -1.09 0.00 0.00 33.01 30.07 2cru s GLN 17 CO 0.19 0.10 1.26 0.00 -1.32 0.00 0.00 175.29 175.52 2cru s ALA 18 N 0.54 -2.19 -0.28 2.60 0.00 -1.26 -5.17 121.76 115.99 2cru s ALA 18 Ca -0.15 1.81 -0.15 0.00 0.00 0.00 0.00 51.96 53.46 2cru s ALA 18 Cb -0.17 -1.69 0.08 0.00 0.00 0.00 0.00 23.12 21.35 2cru s ALA 18 CO 0.05 -0.18 0.68 0.15 0.00 0.00 0.00 175.76 176.47 2cru s LYS 19 N 0.28 0.70 -0.20 0.00 1.02 -1.26 -5.15 119.74 115.12 2cru s LYS 19 Ca 0.03 1.25 -0.04 0.00 0.02 0.00 0.00 55.97 57.23 2cru s LYS 19 Cb -0.05 0.21 -0.02 0.00 -0.52 0.00 0.00 37.83 37.46 2cru s LYS 19 CO -0.12 -0.15 -0.03 -1.01 -0.92 0.00 0.00 175.35 173.11 2cru s HIS 20 N 1.76 2.98 0.00 3.18 3.76 -1.26 -4.86 115.29 120.85 2cru s HIS 20 Ca -0.10 -0.67 0.00 0.00 -0.15 0.00 0.00 55.06 54.15 2cru s HIS 20 Cb -0.06 -2.07 0.00 0.00 1.11 0.00 0.00 32.58 31.56 2cru s HIS 20 CO -0.20 -0.36 0.00 0.41 -0.85 0.00 0.00 174.74 173.74 2cru n GLY 21 N 4.40 -0.38 3.28 -2.22 0.00 -1.26 -5.17 105.19 103.84 2cru n GLY 21 Ca -0.18 0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 2cru n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cru s ASP 22 N 0.00 2.73 0.53 1.61 1.01 -1.26 -5.02 116.67 116.26 2cru s ASP 22 Ca 0.00 -0.53 0.31 0.00 0.71 0.00 0.00 52.55 53.04 2cru s ASP 22 Cb 0.00 -0.24 1.30 0.00 1.01 0.00 0.00 42.92 44.99 2cru s ASP 22 CO 0.00 0.21 1.97 1.55 0.21 0.00 0.00 175.17 179.10 2cru h PRO 23 N 4.93 0.00 0.00 8.23 0.13 -2.02 -3.49 132.00 139.78 2cru h PRO 23 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2cru h PRO 23 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2cru h PRO 23 CO 0.44 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.69 2cru n GLY 24 N -0.03 0.53 0.34 1.56 0.00 -1.26 -4.22 105.19 102.11 2cru n GLY 24 Ca 0.00 -1.30 0.14 0.00 0.00 0.00 0.00 46.02 44.86 2cru n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cru n ASP 25 N 1.83 -0.14 -0.28 1.61 9.92 -1.26 -0.22 116.55 128.02 2cru n ASP 25 Ca 0.00 1.65 -0.04 0.00 -0.53 0.00 0.00 54.79 55.87 2cru n ASP 25 Cb 0.00 -0.59 -0.02 0.00 -0.64 0.00 0.00 41.12 39.87 2cru n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2cru n ALA 26 N -3.22 -0.25 -0.10 2.24 0.00 -1.26 0.07 120.51 117.99 2cru n ALA 26 Ca 0.22 0.66 -0.23 0.00 0.00 0.00 0.00 53.44 54.08 2cru n ALA 26 Cb 0.72 -0.22 -0.12 0.00 0.00 0.00 0.00 19.45 19.84 2cru n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cru n ALA 27 N -3.56 0.92 -0.32 0.00 0.00 0.10 -4.40 120.51 113.25 2cru n ALA 27 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.83 2cru n ALA 27 Cb 0.24 -0.41 0.07 0.00 0.00 0.00 0.00 19.45 19.34 2cru n ALA 27 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2cru h GLN 28 N -0.80 -0.03 -1.09 0.00 5.75 -0.17 0.51 115.11 119.28 2cru h GLN 28 Ca -0.45 0.00 0.40 0.00 -0.15 0.00 0.00 58.65 58.46 2cru h GLN 28 Cb 1.51 0.01 -0.14 0.00 1.07 0.00 0.00 27.48 29.93 2cru h GLN 28 CO -0.21 -0.02 0.66 0.00 -2.65 0.00 0.00 178.83 176.62 2cru n GLN 29 N -5.51 -0.04 -0.07 1.69 10.64 0.11 -0.28 117.38 123.93 2cru n GLN 29 Ca 0.10 1.15 -0.08 0.00 -1.83 0.00 0.00 57.00 56.34 2cru n GLN 29 Cb 0.41 -2.19 -0.06 0.00 -0.86 0.00 0.00 30.24 27.54 2cru n GLN 29 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 2cru h GLU 30 N 0.00 0.00 -0.53 2.61 4.39 -0.22 -3.37 114.58 117.46 2cru h GLU 30 Ca 0.77 0.00 0.10 0.00 0.34 0.00 0.00 59.36 60.56 2cru h GLU 30 Cb 2.31 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 30.85 2cru h GLU 30 CO -0.52 0.47 -0.33 0.00 -1.16 0.00 0.00 179.01 177.48 2cru h ALA 31 N -0.59 -0.08 -1.64 3.43 0.00 -0.18 0.33 119.26 120.52 2cru h ALA 31 Ca -0.05 0.14 0.49 0.00 0.00 0.00 0.00 54.91 55.50 2cru h ALA 31 Cb 0.58 0.75 -0.09 0.00 0.00 0.00 0.00 17.79 19.03 2cru h ALA 31 CO -0.03 -0.69 1.15 1.57 0.00 0.00 0.00 179.25 181.25 2cru h LYS 32 N -0.19 0.03 0.70 0.00 2.10 -0.82 0.15 116.57 118.55 2cru h LYS 32 Ca 0.21 -0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.83 2cru h LYS 32 Cb 0.54 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.87 2cru h LYS 32 CO -0.63 0.02 -0.34 1.25 -2.00 0.00 0.00 179.45 177.75 2cru h HIS 33 N 0.03 -0.87 -0.54 0.07 2.76 -0.49 -1.49 115.15 114.61 2cru h HIS 33 Ca 0.84 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 59.04 2cru h HIS 33 Cb 3.15 0.29 -0.03 0.00 1.55 0.00 0.00 27.41 32.37 2cru h HIS 33 CO -0.00 -0.54 0.36 0.00 -1.30 0.00 0.00 177.93 176.44 2cru h ARG 34 N -1.20 0.54 0.00 5.26 2.47 -0.77 0.34 114.38 121.01 2cru h ARG 34 Ca -0.10 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 2cru h ARG 34 Cb 0.72 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.92 2cru h ARG 34 CO 0.16 0.36 -0.10 1.49 0.56 0.00 0.00 179.97 182.44 2cru h GLU 35 N 0.56 0.00 0.00 0.04 4.57 -0.97 -2.58 114.58 116.19 2cru h GLU 35 Ca 0.22 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.32 2cru h GLU 35 Cb 0.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 2cru h GLU 35 CO -0.06 0.10 -0.38 0.00 -1.18 0.00 0.00 179.01 177.48 2cru h ALA 36 N 1.90 0.81 0.00 2.92 0.00 0.18 -3.01 119.26 122.06 2cru h ALA 36 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2cru h ALA 36 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2cru h ALA 36 CO 0.01 0.48 -0.18 0.93 0.00 0.00 0.00 179.25 180.49 2cru h GLU 37 N 0.00 0.00 -0.80 0.00 4.39 -1.32 -2.99 114.58 113.87 2cru h GLU 37 Ca -0.00 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.88 2cru h GLU 37 Cb 1.16 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.69 2cru h GLU 37 CO 0.05 0.00 0.18 0.00 -1.16 0.00 0.00 179.01 178.08 2cru h MET 38 N -0.93 0.22 0.19 2.33 -0.00 -1.63 -1.09 114.93 114.02 2cru h MET 38 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 2cru h MET 38 Cb 0.18 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.73 2cru h MET 38 CO 0.00 0.15 -0.09 0.07 -0.00 0.00 0.00 176.91 177.04 2cru h ARG 39 N 0.23 -0.25 -0.94 -0.10 0.11 -1.70 -1.79 114.38 109.95 2cru h ARG 39 Ca 0.47 0.02 0.21 0.00 0.10 0.00 0.00 59.98 60.78 2cru h ARG 39 Cb 0.86 0.06 -0.18 0.00 1.11 0.00 0.00 29.97 31.82 2cru h ARG 39 CO -0.59 -0.04 -0.15 0.09 0.10 0.00 0.00 179.97 179.39 2cru n ASN 40 N -5.13 -0.26 0.15 0.08 3.02 -0.44 0.46 115.26 113.14 2cru n ASN 40 Ca -0.09 1.61 -0.11 0.00 -0.03 0.00 0.00 54.58 55.97 2cru n ASN 40 Cb 0.18 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 38.76 2cru n ASN 40 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2cru h SER 41 N 0.00 -0.37 -0.63 6.41 0.02 -1.37 -2.74 113.55 114.86 2cru h SER 41 Ca 0.49 -0.15 0.18 0.00 -0.84 0.00 0.00 61.79 61.48 2cru h SER 41 Cb 0.86 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 2cru h SER 41 CO -0.94 0.09 0.67 0.40 -1.14 0.00 0.00 176.83 175.91 2cru h ILE 42 N -0.99 0.27 0.04 3.27 2.04 -0.18 0.19 117.51 122.15 2cru h ILE 42 Ca -0.05 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.68 2cru h ILE 42 Cb 0.50 0.46 0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2cru h ILE 42 CO 0.07 0.00 -0.55 -0.07 0.00 0.00 0.00 178.15 177.61 2cru h LEU 43 N 0.00 0.42 -0.37 1.44 3.38 0.07 -2.80 115.31 117.45 2cru h LEU 43 Ca 0.30 -0.82 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2cru h LEU 43 Cb 1.65 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.26 2cru h LEU 43 CO -0.00 1.20 0.00 0.00 0.09 0.00 0.00 178.44 179.73 2cru n ALA 44 N -2.60 1.32 -0.05 1.53 0.00 0.60 0.21 120.51 121.52 2cru n ALA 44 Ca -0.11 0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 2cru n ALA 44 Cb 0.66 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.78 2cru n ALA 44 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2cru n GLN 45 N -1.75 0.66 0.01 0.00 6.02 -0.88 -4.27 117.38 117.16 2cru n GLN 45 Ca 0.01 0.08 0.11 0.00 -0.01 0.00 0.00 57.00 57.19 2cru n GLN 45 Cb 0.09 -1.63 -0.07 0.00 1.02 0.00 0.00 30.24 29.65 2cru n GLN 45 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2cru n VAL 46 N -2.79 0.05 -4.32 5.09 0.24 -0.66 -4.62 118.33 111.33 2cru n VAL 46 Ca -0.22 -0.19 -0.29 0.00 -2.04 0.00 0.00 64.34 61.59 2cru n VAL 46 Cb 1.02 0.50 -0.11 0.00 -1.47 0.00 0.00 33.84 33.78 2cru n VAL 46 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2cru s LEU 47 N -3.64 2.69 0.03 1.34 1.43 0.13 0.02 118.68 120.69 2cru s LEU 47 Ca 0.03 -0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 2cru s LEU 47 Cb 0.15 -1.54 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 2cru s LEU 47 CO 0.85 0.18 0.27 -0.62 0.23 0.00 0.00 176.35 177.26 2cru s ASP 48 N -2.12 6.46 0.40 2.29 2.15 -0.84 -4.67 116.67 120.34 2cru s ASP 48 Ca 0.18 0.50 0.33 0.00 0.43 0.00 0.00 52.55 53.99 2cru s ASP 48 Cb -0.11 -2.06 1.31 0.00 -0.30 0.00 0.00 42.92 41.76 2cru s ASP 48 CO 0.10 0.22 1.28 1.67 -0.17 0.00 0.00 175.17 178.27 2cru n GLN 49 N 0.85 -0.02 0.28 4.34 0.00 -1.26 0.23 117.38 121.80 2cru n GLN 49 Ca -0.09 0.98 -0.12 0.00 -0.00 0.00 0.00 57.00 57.77 2cru n GLN 49 Cb 0.52 -2.04 -0.06 0.00 0.00 0.00 0.00 30.24 28.66 2cru n GLN 49 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 2cru h SER 50 N 0.00 -0.64 -0.71 1.69 0.02 -1.92 -3.15 113.55 108.84 2cru h SER 50 Ca 0.75 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.80 2cru h SER 50 Cb 2.65 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 65.29 2cru h SER 50 CO -0.23 -0.30 0.38 0.00 -1.14 0.00 0.00 176.83 175.54 2cru h ALA 51 N -1.33 0.98 -0.71 3.77 0.00 -0.45 -2.77 119.26 118.74 2cru h ALA 51 Ca -0.08 0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.94 2cru h ALA 51 Cb 0.58 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 2cru h ALA 51 CO 0.13 0.01 -0.55 0.00 0.00 0.00 0.00 179.25 178.84 2cru h ARG 52 N 0.67 -0.18 -0.01 0.00 2.47 -1.09 -0.10 114.38 116.14 2cru h ARG 52 Ca 0.34 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 59.09 2cru h ARG 52 Cb 0.29 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.60 2cru h ARG 52 CO -0.23 -0.12 -0.51 0.00 0.56 0.00 0.00 179.97 179.67 2cru h ALA 53 N 0.33 -0.93 -0.88 0.04 0.00 -1.44 0.19 119.26 116.57 2cru h ALA 53 Ca 0.13 -0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.20 2cru h ALA 53 Cb 0.51 0.93 -0.15 0.00 0.00 0.00 0.00 17.79 19.09 2cru h ALA 53 CO -0.78 -1.08 0.16 -0.09 0.00 0.00 0.00 179.25 177.46 2cru h ARG 54 N -0.63 0.14 0.00 0.00 9.65 -1.26 0.38 114.38 122.65 2cru h ARG 54 Ca 0.01 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2cru h ARG 54 Cb 0.68 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.23 2cru h ARG 54 CO -0.34 0.09 0.00 -0.11 2.80 0.00 0.00 179.97 182.41 2cru n LEU 55 N -5.30 0.04 -0.27 3.80 7.94 -0.13 -3.44 117.00 119.63 2cru n LEU 55 Ca 0.21 0.80 0.20 0.00 -1.11 0.00 0.00 56.01 56.11 2cru n LEU 55 Cb 0.67 -0.48 0.38 0.00 0.53 0.00 0.00 43.42 44.51 2cru n LEU 55 CO 0.03 -0.48 0.78 -0.24 -1.11 0.00 0.00 177.39 176.37 2cru n SER 56 N -1.95 0.12 -0.20 1.96 2.88 0.57 0.74 113.62 117.73 2cru n SER 56 Ca 0.00 1.38 -0.04 0.00 -1.33 0.00 0.00 58.87 58.89 2cru n SER 56 Cb 0.00 -0.60 0.03 0.00 -0.75 0.00 0.00 64.21 62.89 2cru n SER 56 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 2cru h ASN 57 N 0.00 -0.98 -0.35 -3.46 -0.73 -0.95 0.42 115.58 109.53 2cru h ASN 57 Ca 0.61 0.22 0.03 0.00 1.87 0.00 0.00 56.30 59.02 2cru h ASN 57 Cb 1.48 0.52 -0.02 0.00 0.27 0.00 0.00 38.32 40.57 2cru h ASN 57 CO -0.70 -0.28 0.24 0.25 -0.37 0.00 0.00 177.43 176.57 2cru h LEU 58 N -0.12 0.32 -1.42 0.34 5.85 0.26 -1.81 115.31 118.74 2cru h LEU 58 Ca 0.26 -0.00 0.25 0.00 0.84 0.00 0.00 57.88 59.22 2cru h LEU 58 Cb 0.53 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.40 2cru h LEU 58 CO -0.67 0.22 0.65 0.00 -0.34 0.00 0.00 178.44 178.31 2cru h ALA 59 N 1.80 2.23 -0.60 1.25 0.00 -0.01 0.31 119.26 124.24 2cru h ALA 59 Ca 0.14 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2cru h ALA 59 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2cru h ALA 59 CO -0.03 -0.60 0.00 1.28 0.00 0.00 0.00 179.25 179.90 2cru n LEU 60 N -4.58 0.28 -0.18 0.00 4.77 -0.68 -2.96 117.00 113.65 2cru n LEU 60 Ca 0.23 0.66 -0.13 0.00 -0.03 0.00 0.00 56.01 56.75 2cru n LEU 60 Cb 0.82 -0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 2cru n LEU 60 CO 0.28 -0.40 0.49 -0.37 -1.33 0.00 0.00 177.39 176.06 2cru h VAL 61 N 0.00 0.00 -2.81 4.08 -1.51 -1.59 -3.39 116.25 111.03 2cru h VAL 61 Ca 0.00 0.00 -0.39 0.00 -1.23 0.00 0.00 66.70 65.08 2cru h VAL 61 Cb 0.00 0.00 -0.38 0.00 -2.13 0.00 0.00 31.29 28.78 2cru h VAL 61 CO 0.00 0.00 -0.69 -1.59 -1.23 0.00 0.00 177.57 174.06 2cru s LYS 62 N -5.55 0.12 0.08 5.19 -2.85 0.08 -5.03 119.74 111.78 2cru s LYS 62 Ca -0.14 0.08 -0.16 0.00 -1.00 0.00 0.00 55.97 54.75 2cru s LYS 62 Cb 0.09 -1.48 -0.10 0.00 -2.06 0.00 0.00 37.83 34.28 2cru s LYS 62 CO 0.60 -0.65 1.40 -1.00 0.10 0.00 0.00 175.35 175.80 2cru h PRO 63 N 8.37 0.60 0.00 1.78 0.13 -1.65 -3.35 132.00 137.89 2cru h PRO 63 Ca -0.16 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2cru h PRO 63 Cb 1.15 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2cru h PRO 63 CO 0.28 0.92 0.00 0.39 -0.23 0.00 0.00 178.00 179.36 2cru n GLU 64 N -4.35 0.00 -0.02 0.86 -0.58 -1.26 -0.26 120.64 115.03 2cru n GLU 64 Ca -0.04 0.78 -0.01 0.00 -0.42 0.00 0.00 57.16 57.47 2cru n GLU 64 Cb 0.44 -1.25 -0.01 0.00 -0.57 0.00 0.00 31.44 30.05 2cru n GLU 64 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2cru n LYS 65 N -2.24 -0.03 -0.27 3.49 0.00 -1.26 0.37 118.16 118.22 2cru n LYS 65 Ca 0.00 0.75 0.03 0.00 0.00 0.00 0.00 58.31 59.09 2cru n LYS 65 Cb 0.00 -1.12 0.11 0.00 0.00 0.00 0.00 35.03 34.02 2cru n LYS 65 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2cru h THR 66 N 0.00 0.23 -0.88 3.15 2.02 -1.55 0.17 112.91 116.04 2cru h THR 66 Ca 0.01 -0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.49 2cru h THR 66 Cb 0.02 0.21 -0.16 0.00 -1.74 0.00 0.00 68.15 66.49 2cru h THR 66 CO -0.06 0.00 0.24 1.17 0.37 0.00 0.00 175.52 177.25 2cru n LYS 67 N -5.49 -0.06 0.27 6.66 4.81 0.16 -0.38 118.16 124.13 2cru n LYS 67 Ca 0.12 1.26 -0.12 0.00 -0.87 0.00 0.00 58.31 58.70 2cru n LYS 67 Cb 0.42 -2.13 -0.06 0.00 0.02 0.00 0.00 35.03 33.28 2cru n LYS 67 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2cru h ALA 68 N 1.75 -0.74 -0.46 3.14 0.00 -0.47 -2.94 119.26 119.55 2cru h ALA 68 Ca 0.64 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.46 2cru h ALA 68 Cb 1.53 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 19.51 2cru h ALA 68 CO -0.75 -0.71 -0.34 0.28 0.00 0.00 0.00 179.25 177.73 2cru h VAL 69 N -1.15 0.20 -0.49 0.00 2.07 -0.62 0.13 116.25 116.39 2cru h VAL 69 Ca -0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.53 2cru h VAL 69 Cb 0.60 0.20 -0.10 0.00 -1.52 0.00 0.00 31.29 30.47 2cru h VAL 69 CO 0.12 0.00 -0.39 -0.33 0.02 0.00 0.00 177.57 176.99 2cru h GLU 70 N -0.23 -0.25 -0.86 1.57 5.08 -0.90 0.23 114.58 119.22 2cru h GLU 70 Ca 0.19 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2cru h GLU 70 Cb 0.54 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2cru h GLU 70 CO -0.58 -0.16 0.56 -0.91 -1.00 0.00 0.00 179.01 176.91 2cru h ASN 71 N -0.25 0.95 -0.74 1.42 2.35 -1.11 -1.55 115.58 116.66 2cru h ASN 71 Ca 0.17 -0.02 0.20 0.00 -0.55 0.00 0.00 56.30 56.11 2cru h ASN 71 Cb 0.56 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 2cru h ASN 71 CO -0.62 0.67 0.52 0.22 -1.65 0.00 0.00 177.43 176.58 2cru h TYR 72 N 1.12 0.11 0.24 1.19 3.20 0.13 -2.27 116.97 120.69 2cru h TYR 72 Ca 0.33 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 2cru h TYR 72 Cb -0.07 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.17 2cru h TYR 72 CO -0.02 0.03 -0.12 -0.07 -1.64 0.00 0.00 178.16 176.35 2cru h LEU 73 N 0.08 -0.28 -0.93 2.82 3.38 -0.52 -3.20 115.31 116.67 2cru h LEU 73 Ca 0.36 -0.14 0.12 0.00 0.09 0.00 0.00 57.88 58.31 2cru h LEU 73 Cb 1.29 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.98 2cru h LEU 73 CO -0.03 0.22 -0.44 -0.38 0.09 0.00 0.00 178.44 177.90 2cru n ILE 74 N -4.99 -0.55 -0.18 1.22 -0.00 -0.88 0.37 119.36 114.35 2cru n ILE 74 Ca -0.06 2.20 -0.01 0.00 -0.00 0.00 0.00 62.75 64.88 2cru n ILE 74 Cb 0.20 -2.83 0.06 0.00 -0.00 0.00 0.00 39.64 37.07 2cru n ILE 74 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 2cru h GLN 75 N 0.00 0.06 -0.49 0.38 4.20 -1.62 0.26 115.11 117.89 2cru h GLN 75 Ca 0.25 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.03 2cru h GLN 75 Cb 0.48 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 2cru h GLN 75 CO -0.90 0.04 0.33 0.52 -0.67 0.00 0.00 178.83 178.15 2cru h MET 76 N 0.06 0.35 0.37 1.46 2.86 -0.08 -2.64 114.93 117.30 2cru h MET 76 Ca 0.27 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 2cru h MET 76 Cb 0.43 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2cru h MET 76 CO -0.51 0.23 -0.18 0.00 1.06 0.00 0.00 176.91 177.51 2cru h ALA 77 N 1.74 -0.49 -0.79 6.32 0.00 0.79 -2.82 119.26 124.01 2cru h ALA 77 Ca 0.22 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.05 2cru h ALA 77 Cb 0.41 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.28 2cru h ALA 77 CO -0.05 -0.49 -0.58 0.00 0.00 0.00 0.00 179.25 178.13 2cru h ARG 78 N -1.07 -0.14 -0.57 0.00 3.08 -0.90 0.49 114.38 115.28 2cru h ARG 78 Ca -0.05 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.12 2cru h ARG 78 Cb 0.47 0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.44 2cru h ARG 78 CO 0.08 -0.09 -0.19 1.88 -1.07 0.00 0.00 179.97 180.58 2cru h TYR 79 N -0.14 -0.45 0.00 3.04 -1.99 -1.60 -3.46 116.97 112.36 2cru h TYR 79 Ca 0.13 0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.92 2cru h TYR 79 Cb 0.48 0.29 0.00 0.00 2.00 0.00 0.00 36.73 39.49 2cru h TYR 79 CO -0.92 -0.29 0.00 0.41 -0.00 0.00 0.00 178.16 177.36 2cru n GLY 80 N -1.42 1.46 0.12 3.88 0.00 0.16 -5.05 105.19 104.34 2cru n GLY 80 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 2cru n GLY 80 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cru n GLN 81 N -0.25 0.63 -1.64 1.61 6.02 -1.08 -4.92 117.38 117.75 2cru n GLN 81 Ca 0.00 0.41 -0.50 0.00 -0.01 0.00 0.00 57.00 56.90 2cru n GLN 81 Cb 0.00 -1.69 -0.05 0.00 1.02 0.00 0.00 30.24 29.52 2cru n GLN 81 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2cru n LEU 82 N -4.05 2.44 -0.10 1.08 4.77 -1.24 -4.90 117.00 115.00 2cru n LEU 82 Ca -0.36 1.08 -0.18 0.00 -0.03 0.00 0.00 56.01 56.52 2cru n LEU 82 Cb 0.84 -1.28 -0.07 0.00 -2.33 0.00 0.00 43.42 40.58 2cru n LEU 82 CO 0.24 -0.59 -0.80 -1.20 -1.33 0.00 0.00 177.39 173.72 2cru n SER 83 N 3.73 1.90 -4.51 -1.43 7.64 -1.26 -5.04 113.62 114.66 2cru n SER 83 Ca 0.20 0.42 -0.27 0.00 1.01 0.00 0.00 58.87 60.23 2cru n SER 83 Cb 0.23 -0.86 -0.09 0.00 -1.01 0.00 0.00 64.21 62.48 2cru n SER 83 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2cru s GLU 84 N -2.50 1.92 -0.05 1.43 1.03 -1.26 -5.10 118.70 114.18 2cru s GLU 84 Ca -0.29 -2.14 -0.30 0.00 0.03 0.00 0.00 54.97 52.28 2cru s GLU 84 Cb 0.07 -1.18 -0.06 0.00 -0.80 0.00 0.00 34.13 32.17 2cru s GLU 84 CO 0.45 -0.25 1.61 0.15 -1.33 0.00 0.00 175.26 175.89 2cru s LYS 85 N -3.80 4.19 0.23 -4.83 1.02 -1.26 -4.90 119.74 110.39 2cru s LYS 85 Ca 0.26 2.15 -0.31 0.00 0.02 0.00 0.00 55.97 58.09 2cru s LYS 85 Cb 0.06 -3.90 -0.14 0.00 -0.52 0.00 0.00 37.83 33.32 2cru s LYS 85 CO 0.13 -0.80 1.21 0.28 -0.92 0.00 0.00 175.35 175.24 2cru n VAL 86 N 5.34 1.22 -4.00 3.17 0.31 0.10 -4.53 118.33 119.94 2cru n VAL 86 Ca 0.17 -0.31 -0.21 0.00 -0.01 0.00 0.00 64.34 63.98 2cru n VAL 86 Cb 0.43 -1.10 -0.03 0.00 -0.91 0.00 0.00 33.84 32.22 2cru n VAL 86 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2cru s SER 87 N -0.06 5.98 0.12 4.52 1.04 -1.26 -1.99 113.70 122.06 2cru s SER 87 Ca 0.67 -0.08 -0.23 0.00 0.48 0.00 0.00 55.95 56.79 2cru s SER 87 Cb -0.74 -1.64 -0.05 0.00 0.10 0.00 0.00 66.02 63.69 2cru s SER 87 CO 0.54 -0.08 1.17 1.21 0.98 0.00 0.00 173.24 177.06 2cru n GLU 88 N -1.33 -0.33 -0.13 4.02 2.13 -1.26 -0.06 120.64 123.68 2cru n GLU 88 Ca -0.08 1.15 -0.11 0.00 0.66 0.00 0.00 57.16 58.78 2cru n GLU 88 Cb 0.57 -1.69 -0.06 0.00 0.27 0.00 0.00 31.44 30.53 2cru n GLU 88 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2cru h GLN 89 N 0.00 -0.34 -0.13 5.31 1.08 -1.99 -0.20 115.11 118.83 2cru h GLN 89 Ca 0.13 0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.40 2cru h GLN 89 Cb 0.32 0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.76 2cru h GLN 89 CO -0.72 -0.23 -0.31 0.78 -0.95 0.00 0.00 178.83 177.41 2cru h GLY 90 N -0.36 -0.42 0.08 3.46 0.00 -0.85 -2.73 103.07 102.25 2cru h GLY 90 Ca 0.12 0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.84 2cru h GLY 90 CO -0.58 -0.22 -0.41 -2.00 0.00 0.00 0.00 176.54 173.34 2cru h LEU 91 N -0.39 -1.23 -1.31 3.11 5.85 -0.35 -0.38 115.31 120.62 2cru h LEU 91 Ca 0.10 0.13 0.45 0.00 0.84 0.00 0.00 57.88 59.39 2cru h LEU 91 Cb 0.54 0.45 -0.12 0.00 0.37 0.00 0.00 40.66 41.90 2cru h LEU 91 CO -0.35 -0.42 0.85 -0.38 -0.34 0.00 0.00 178.44 177.80 2cru n ILE 92 N -4.75 -0.22 0.06 4.05 5.41 -0.15 0.23 119.36 124.00 2cru n ILE 92 Ca -0.06 1.64 -0.20 0.00 1.00 0.00 0.00 62.75 65.13 2cru n ILE 92 Cb 0.31 -2.70 -0.11 0.00 -0.71 0.00 0.00 39.64 36.44 2cru n ILE 92 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2cru h GLU 93 N 0.00 0.63 0.00 0.38 5.08 -0.82 -3.19 114.58 116.67 2cru h GLU 93 Ca 0.82 -0.74 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2cru h GLU 93 Cb 2.68 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 32.15 2cru h GLU 93 CO -0.40 1.32 -0.09 0.82 -1.00 0.00 0.00 179.01 179.65 2cru h ILE 94 N 0.33 0.26 -0.07 3.13 2.04 0.41 -2.68 117.51 120.93 2cru h ILE 94 Ca -0.14 -0.71 -0.13 0.00 1.00 0.00 0.00 64.86 64.87 2cru h ILE 94 Cb 1.76 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 2cru h ILE 94 CO 0.21 0.09 -0.54 -0.07 0.00 0.00 0.00 178.15 177.85 2cru h LEU 95 N 0.00 0.21 -3.46 1.44 3.38 -0.77 -2.58 115.31 113.54 2cru h LEU 95 Ca -0.00 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2cru h LEU 95 Cb 0.56 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 2cru h LEU 95 CO 0.01 0.71 0.05 0.29 0.09 0.00 0.00 178.44 179.60 2cru n LYS 96 N -3.92 3.59 -0.01 1.13 4.01 -1.04 -4.42 118.16 117.50 2cru n LYS 96 Ca -0.02 -3.02 -0.02 0.00 -0.51 0.00 0.00 58.31 54.74 2cru n LYS 96 Cb 0.56 -2.05 -0.01 0.00 -0.51 0.00 0.00 35.03 33.03 2cru n LYS 96 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2cru n LYS 97 N -0.16 0.04 -0.05 1.97 2.85 -1.06 -4.71 118.16 117.04 2cru n LYS 97 Ca 0.29 0.01 0.02 0.00 -1.05 0.00 0.00 58.31 57.58 2cru n LYS 97 Cb 1.10 -0.85 0.35 0.00 -0.65 0.00 0.00 35.03 34.99 2cru n LYS 97 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 2cru h VAL 98 N -0.03 1.15 -0.03 0.58 3.04 -1.68 -1.40 116.25 117.88 2cru h VAL 98 Ca -0.04 -0.36 0.01 0.00 -1.01 0.00 0.00 66.70 65.30 2cru h VAL 98 Cb 1.06 0.49 -0.00 0.00 -2.01 0.00 0.00 31.29 30.83 2cru h VAL 98 CO -0.02 0.16 0.27 0.77 -1.01 0.00 0.00 177.57 177.74 2cru h SER 99 N 0.66 0.00 0.01 3.17 4.64 -1.84 -1.68 113.55 118.51 2cru h SER 99 Ca 0.17 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.31 2cru h SER 99 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2cru h SER 99 CO -0.03 0.00 -0.99 1.56 -0.87 0.00 0.00 176.83 176.50 2cru h GLN 100 N 0.00 0.02 -7.56 4.77 1.08 -1.55 -3.47 115.11 108.39 2cru h GLN 100 Ca 0.01 -0.03 -0.46 0.00 -1.45 0.00 0.00 58.65 56.72 2cru h GLN 100 Cb 0.56 0.01 0.12 0.00 -0.05 0.00 0.00 27.48 28.12 2cru h GLN 100 CO -0.00 1.01 0.35 -0.65 -0.95 0.00 0.00 178.83 178.60 2cru s GLN 101 N -2.34 1.48 -0.19 1.46 -0.21 -0.63 -5.07 119.66 114.17 2cru s GLN 101 Ca -0.26 0.19 0.01 0.00 0.02 0.00 0.00 55.36 55.32 2cru s GLN 101 Cb 0.04 -1.89 0.02 0.00 1.00 0.00 0.00 33.01 32.18 2cru s GLN 101 CO 0.63 -1.94 -0.19 -0.08 -2.12 0.00 0.00 175.29 171.58 2cru s THR 102 N -3.42 2.10 0.68 -0.19 -1.32 -1.26 -4.90 115.64 107.32 2cru s THR 102 Ca 0.63 -0.98 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 2cru s THR 102 Cb -0.13 -1.91 0.10 0.00 -1.51 0.00 0.00 72.50 69.06 2cru s THR 102 CO 0.51 0.49 0.94 -1.83 -2.21 0.00 0.00 174.62 172.53 2cru s GLU 103 N 1.28 1.90 0.27 7.08 1.03 -1.26 -5.13 118.70 123.87 2cru s GLU 103 Ca 0.04 -1.06 -0.07 0.00 0.03 0.00 0.00 54.97 53.92 2cru s GLU 103 Cb -0.14 -2.38 -0.01 0.00 -0.80 0.00 0.00 34.13 30.81 2cru s GLU 103 CO -0.12 -1.26 0.40 0.15 -1.33 0.00 0.00 175.26 173.10 2cru s LYS 104 N -5.04 1.58 -0.04 -4.83 -0.14 -1.26 -5.17 119.74 104.85 2cru s LYS 104 Ca 0.64 -1.50 -0.03 0.00 -1.36 0.00 0.00 55.97 53.73 2cru s LYS 104 Cb -0.06 0.42 0.02 0.00 -1.68 0.00 0.00 37.83 36.52 2cru s LYS 104 CO 0.43 -0.63 0.09 -0.08 -0.76 0.00 0.00 175.35 174.39 2cru s THR 105 N -3.75 -0.02 -0.14 2.17 -1.32 -1.26 -5.04 115.64 106.29 2cru s THR 105 Ca 0.29 0.06 -0.06 0.00 -1.21 0.00 0.00 61.69 60.77 2cru s THR 105 Cb 0.01 -0.14 -0.04 0.00 -1.51 0.00 0.00 72.50 70.82 2cru s THR 105 CO 0.13 0.02 0.08 -0.89 -2.21 0.00 0.00 174.62 171.75 2cru s THR 106 N 0.37 4.94 -0.07 5.08 2.01 -1.26 -5.10 115.64 121.61 2cru s THR 106 Ca -0.03 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 2cru s THR 106 Cb -0.04 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 2cru s THR 106 CO -0.01 0.55 0.18 0.42 -0.69 0.00 0.00 174.62 175.06 2cru s THR 107 N -0.42 5.45 0.04 -0.82 -4.23 -1.26 -5.08 115.64 109.31 2cru s THR 107 Ca 0.10 0.14 0.07 0.00 -1.18 0.00 0.00 61.69 60.82 2cru s THR 107 Cb -0.12 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.23 2cru s THR 107 CO 0.02 0.51 -0.21 0.54 -0.54 0.00 0.00 174.62 174.94 2cru s VAL 108 N -1.14 1.70 0.81 2.29 0.11 -1.26 -5.14 120.40 117.77 2cru s VAL 108 Ca 0.20 -1.20 -0.11 0.00 -2.93 0.00 0.00 61.98 57.94 2cru s VAL 108 Cb -0.13 -1.48 0.08 0.00 -1.53 0.00 0.00 36.38 33.33 2cru s VAL 108 CO 0.10 0.22 1.09 -0.75 -3.33 0.00 0.00 175.10 172.43 2cru s LYS 109 N -1.16 1.98 -0.15 1.54 2.20 -1.26 -4.88 119.74 118.01 2cru s LYS 109 Ca 0.08 1.05 -0.27 0.00 -0.36 0.00 0.00 55.97 56.46 2cru s LYS 109 Cb -0.09 -1.87 -0.01 0.00 -1.51 0.00 0.00 37.83 34.35 2cru s LYS 109 CO 0.02 -1.80 0.91 -0.59 -0.36 0.00 0.00 175.35 173.53 2cru s PHE 110 N -2.92 3.45 -0.06 4.03 -0.71 -1.26 -4.93 117.98 115.58 2cru s PHE 110 Ca 0.62 1.40 -0.10 0.00 -1.04 0.00 0.00 56.93 57.81 2cru s PHE 110 Cb -0.17 -3.10 -0.03 0.00 -1.21 0.00 0.00 43.02 38.51 2cru s PHE 110 CO 0.56 -0.25 -0.20 -1.71 -1.34 0.00 0.00 175.22 172.29 2cru n ASN 111 N 5.22 1.58 -4.06 1.98 2.85 -1.26 -4.91 115.26 116.66 2cru n ASN 111 Ca 0.07 0.25 -0.29 0.00 -0.11 0.00 0.00 54.58 54.49 2cru n ASN 111 Cb 0.49 -0.56 -0.17 0.00 1.24 0.00 0.00 39.78 40.77 2cru n ASN 111 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2cru s ARG 112 N -2.51 2.27 -1.60 1.20 3.00 -1.26 -4.78 118.95 115.28 2cru s ARG 112 Ca -0.16 -0.58 -0.08 0.00 -1.00 0.00 0.00 55.73 53.91 2cru s ARG 112 Cb 0.02 -1.93 0.07 0.00 0.00 0.00 0.00 34.95 33.12 2cru s ARG 112 CO 0.24 -0.06 0.37 0.45 0.00 0.00 0.00 175.30 176.31 2cru n SER 113 N 4.19 -0.71 0.00 -2.12 2.88 -1.26 -4.91 113.62 111.69 2cru n SER 113 Ca -0.19 -1.15 0.00 0.00 -1.33 0.00 0.00 58.87 56.20 2cru n SER 113 Cb 0.51 -2.23 0.00 0.00 -0.75 0.00 0.00 64.21 61.74 2cru n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cru n GLY 114 N -1.93 -0.62 1.74 0.46 0.00 -1.26 -4.91 105.19 98.67 2cru n GLY 114 Ca -0.17 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 2cru n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cru n PRO 115 N 0.00 -2.08 -3.61 1.61 -0.04 -1.26 -4.37 135.00 125.24 2cru n PRO 115 Ca 0.00 -0.87 -0.23 0.00 -0.04 0.00 0.00 63.50 62.36 2cru n PRO 115 Cb 0.00 -0.81 0.07 0.00 -0.04 0.00 0.00 33.50 32.72 2cru n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cru n SER 116 N -3.93 -5.10 -4.70 3.54 2.88 -1.26 -5.00 113.62 100.05 2cru n SER 116 Ca 0.08 -0.60 -0.25 0.00 -1.33 0.00 0.00 58.87 56.76 2cru n SER 116 Cb 0.29 -4.86 -0.08 0.00 -0.75 0.00 0.00 64.21 58.81 2cru n SER 116 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cru s SER 117 N -3.57 4.30 0.00 -3.46 1.04 -1.26 -5.16 113.70 105.58 2cru s SER 117 Ca 0.46 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2cru s SER 117 Cb -0.21 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.42 2cru s SER 117 CO 0.75 -0.45 0.27 0.61 0.98 0.00 0.00 173.24 175.40