#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 1.09 0.26 1.61 0.01 -1.26 -5.19 113.70 110.22 2cru s SER 2 Ca 0.00 -1.56 -0.15 0.00 1.31 0.00 0.00 55.95 55.56 2cru s SER 2 Cb 0.00 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.83 2cru s SER 2 CO 0.00 -1.17 0.54 -0.55 0.41 0.00 0.00 173.24 172.47 2cru s SER 3 N -3.27 -0.11 0.00 2.44 0.15 -1.26 -5.18 113.70 106.47 2cru s SER 3 Ca 0.34 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.13 2cru s SER 3 Cb 0.01 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2cru s SER 3 CO 0.22 -1.21 0.00 0.61 1.20 0.00 0.00 173.24 174.06 2cru n GLY 4 N -0.41 5.55 3.25 9.45 0.00 -1.26 -5.19 105.19 116.59 2cru n GLY 4 Ca -0.02 -1.10 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 2cru n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cru s SER 5 N 1.00 -0.10 0.29 1.61 0.01 -1.26 -5.18 113.70 110.07 2cru s SER 5 Ca 0.00 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.03 2cru s SER 5 Cb 0.00 0.37 -0.03 0.00 0.21 0.00 0.00 66.02 66.57 2cru s SER 5 CO 0.00 -0.67 0.22 -0.44 0.41 0.00 0.00 173.24 172.76 2cru s SER 6 N -2.29 1.27 0.00 2.44 0.01 -1.26 -5.16 113.70 108.72 2cru s SER 6 Ca -0.02 -1.63 0.00 0.00 1.31 0.00 0.00 55.95 55.61 2cru s SER 6 Cb 0.00 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.72 2cru s SER 6 CO -0.06 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.23 2cru n GLY 7 N -0.53 -0.08 2.76 3.44 0.00 -1.26 -5.15 105.19 104.38 2cru n GLY 7 Ca 0.05 0.76 -0.27 0.00 0.00 0.00 0.00 46.02 46.56 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 1.16 -0.09 0.99 1.98 -1.26 -5.12 118.68 116.34 2cru s LEU 8 Ca 0.00 -0.69 -0.00 0.00 -2.89 0.00 0.00 54.13 50.55 2cru s LEU 8 Cb 0.00 -0.62 0.02 0.00 0.66 0.00 0.00 46.19 46.26 2cru s LEU 8 CO 0.00 -0.27 -0.07 -0.13 -1.89 0.00 0.00 176.35 173.99 2cru s ARG 9 N 1.84 1.34 -0.29 1.98 0.52 -1.26 -5.11 118.95 117.97 2cru s ARG 9 Ca 0.00 -0.20 -0.16 0.00 -0.52 0.00 0.00 55.73 54.85 2cru s ARG 9 Cb -0.16 -1.41 0.11 0.00 0.52 0.00 0.00 34.95 34.02 2cru s ARG 9 CO -0.07 -0.22 0.82 0.50 0.02 0.00 0.00 175.30 176.34 2cru s ARG 10 N 1.56 0.55 -0.29 3.54 3.00 -1.26 -5.16 118.95 120.89 2cru s ARG 10 Ca 0.01 0.99 -0.13 0.00 -1.00 0.00 0.00 55.73 55.60 2cru s ARG 10 Cb -0.13 0.18 0.11 0.00 0.00 0.00 0.00 34.95 35.11 2cru s ARG 10 CO -0.06 -0.12 0.71 -1.14 0.00 0.00 0.00 175.30 174.69 2cru s GLN 11 N 1.64 0.61 -0.28 5.12 0.74 -1.26 -5.16 119.66 121.07 2cru s GLN 11 Ca -0.09 1.27 -0.22 0.00 0.05 0.00 0.00 55.36 56.37 2cru s GLN 11 Cb -0.05 0.47 0.11 0.00 1.10 0.00 0.00 33.01 34.64 2cru s GLN 11 CO -0.18 -0.16 0.92 0.50 -0.55 0.00 0.00 175.29 175.82 2cru s ARG 12 N 2.20 0.55 -0.17 1.67 6.06 -1.26 -5.16 118.95 122.85 2cru s ARG 12 Ca -0.08 0.76 -0.04 0.00 -2.50 0.00 0.00 55.73 53.87 2cru s ARG 12 Cb -0.08 0.21 -0.03 0.00 0.06 0.00 0.00 34.95 35.12 2cru s ARG 12 CO -0.19 -0.08 -0.02 -0.51 -2.50 0.00 0.00 175.30 172.00 2cru s LEU 13 N 0.72 3.30 0.06 -0.88 1.43 -1.26 -5.11 118.68 116.94 2cru s LEU 13 Ca -0.02 -0.14 0.08 0.00 -1.03 0.00 0.00 54.13 53.02 2cru s LEU 13 Cb -0.05 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2cru s LEU 13 CO -0.09 0.13 -0.21 0.00 0.23 0.00 0.00 176.35 176.41 2cru s ALA 14 N 0.60 1.82 -0.25 4.21 0.00 -1.26 -5.14 121.76 121.75 2cru s ALA 14 Ca -0.01 -1.13 -0.27 0.00 0.00 0.00 0.00 51.96 50.55 2cru s ALA 14 Cb -0.14 -0.33 0.13 0.00 0.00 0.00 0.00 23.12 22.78 2cru s ALA 14 CO 0.02 0.40 1.07 -1.83 0.00 0.00 0.00 175.76 175.42 2cru s GLU 15 N -1.37 0.48 0.18 0.00 -1.05 -1.26 -5.18 118.70 110.50 2cru s GLU 15 Ca 0.08 0.40 0.04 0.00 -0.15 0.00 0.00 54.97 55.34 2cru s GLU 15 Cb -0.09 0.23 -0.05 0.00 -0.44 0.00 0.00 34.13 33.78 2cru s GLU 15 CO 0.02 -0.09 -0.07 -0.48 0.95 0.00 0.00 175.26 175.59 2cru s LEU 16 N -0.22 2.42 -0.04 1.83 0.05 -1.26 -5.10 118.68 116.36 2cru s LEU 16 Ca 0.02 -1.09 -0.33 0.00 0.05 0.00 0.00 54.13 52.79 2cru s LEU 16 Cb -0.04 -0.34 -0.11 0.00 -2.05 0.00 0.00 46.19 43.65 2cru s LEU 16 CO -0.05 -0.38 1.91 0.00 -0.55 0.00 0.00 176.35 177.27 2cru n GLN 17 N -0.29 2.41 -0.07 1.48 6.02 -1.26 -4.86 117.38 120.81 2cru n GLN 17 Ca -0.08 0.88 -0.15 0.00 -0.01 0.00 0.00 57.00 57.64 2cru n GLN 17 Cb 0.62 -2.76 -0.05 0.00 1.02 0.00 0.00 30.24 29.06 2cru n GLN 17 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2cru n ALA 18 N 6.83 1.92 -3.65 -1.58 0.00 -1.26 -5.05 120.51 117.72 2cru n ALA 18 Ca 0.22 -0.62 -0.04 0.00 0.00 0.00 0.00 53.44 53.00 2cru n ALA 18 Cb 0.33 0.26 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 2cru n ALA 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2cru s LYS 19 N -2.34 0.57 -0.37 0.00 2.20 -1.26 -5.13 119.74 113.41 2cru s LYS 19 Ca -0.22 1.31 -0.19 0.00 -0.36 0.00 0.00 55.97 56.51 2cru s LYS 19 Cb 0.08 0.57 0.00 0.00 -1.51 0.00 0.00 37.83 36.97 2cru s LYS 19 CO 0.28 -0.19 0.57 -1.58 -0.36 0.00 0.00 175.35 174.07 2cru s HIS 20 N 2.45 3.15 0.00 4.03 5.65 -1.26 -4.85 115.29 124.46 2cru s HIS 20 Ca -0.07 0.15 0.00 0.00 0.25 0.00 0.00 55.06 55.39 2cru s HIS 20 Cb -0.10 -3.07 0.00 0.00 -1.18 0.00 0.00 32.58 28.23 2cru s HIS 20 CO -0.18 -0.64 0.00 0.41 -0.65 0.00 0.00 174.74 173.68 2cru n GLY 21 N 4.82 2.68 3.05 1.59 0.00 -1.26 -5.18 105.19 110.89 2cru n GLY 21 Ca -0.03 -0.67 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 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 0.44 0.00 1.61 1.01 -1.26 -5.02 116.67 113.45 2cru s ASP 22 Ca 0.00 -0.76 0.12 0.00 0.71 0.00 0.00 52.55 52.62 2cru s ASP 22 Cb 0.00 0.14 0.72 0.00 1.01 0.00 0.00 42.92 44.79 2cru s ASP 22 CO 0.00 -0.44 1.15 -0.81 0.21 0.00 0.00 175.17 175.28 2cru n PRO 23 N 0.81 0.49 -0.26 8.23 -0.04 -1.26 -4.09 135.00 138.89 2cru n PRO 23 Ca -0.19 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.34 2cru n PRO 23 Cb 0.58 -1.39 0.15 0.00 -0.04 0.00 0.00 33.50 32.80 2cru n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cru n GLY 24 N -0.02 -1.12 0.31 0.55 0.00 -1.26 0.67 105.19 104.33 2cru n GLY 24 Ca 0.09 0.75 0.09 0.00 0.00 0.00 0.00 46.02 46.95 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 -5.10 -0.22 -0.16 1.61 8.00 -1.26 0.13 116.55 119.56 2cru n ASP 25 Ca 0.14 1.52 -0.07 0.00 0.71 0.00 0.00 54.79 57.09 2cru n ASP 25 Cb 0.45 -0.50 0.02 0.00 -0.02 0.00 0.00 41.12 41.06 2cru n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cru h ALA 26 N 1.78 0.61 -0.52 2.24 0.00 -0.11 -2.76 119.26 120.48 2cru h ALA 26 Ca 0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 2cru h ALA 26 Cb 0.87 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2cru h ALA 26 CO -0.88 0.06 0.22 0.00 0.00 0.00 0.00 179.25 178.65 2cru h ALA 27 N 1.17 0.68 -1.23 0.00 0.00 0.11 -2.59 119.26 117.41 2cru h ALA 27 Ca 0.18 -0.15 0.36 0.00 0.00 0.00 0.00 54.91 55.30 2cru h ALA 27 Cb -0.07 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 17.41 2cru h ALA 27 CO -0.04 0.28 0.81 0.37 0.00 0.00 0.00 179.25 180.67 2cru h GLN 28 N 0.71 0.18 -0.05 0.00 4.15 -0.45 1.30 115.11 120.95 2cru h GLN 28 Ca 0.18 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.46 2cru h GLN 28 Cb 0.18 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 2cru h GLN 28 CO -0.02 0.12 -0.56 1.96 -1.93 0.00 0.00 178.83 178.41 2cru h GLN 29 N 0.19 0.14 0.00 1.69 1.08 -1.44 -2.64 115.11 114.13 2cru h GLN 29 Ca 0.69 -0.09 -0.05 0.00 -1.45 0.00 0.00 58.65 57.76 2cru h GLN 29 Cb 2.17 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.60 2cru h GLN 29 CO -0.27 0.66 -0.27 1.49 -0.95 0.00 0.00 178.83 179.49 2cru h GLU 30 N 0.11 0.00 -0.22 1.46 4.57 0.15 -3.37 114.58 117.28 2cru h GLU 30 Ca -0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 2cru h GLU 30 Cb 1.02 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.54 2cru h GLU 30 CO 0.08 0.81 -0.34 0.00 -1.18 0.00 0.00 179.01 178.38 2cru h ALA 31 N -0.29 -0.35 -1.29 2.92 0.00 -0.59 0.13 119.26 119.79 2cru h ALA 31 Ca -0.07 0.04 0.37 0.00 0.00 0.00 0.00 54.91 55.26 2cru h ALA 31 Cb 0.89 0.67 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 2cru h ALA 31 CO -0.04 -0.80 1.21 1.57 0.00 0.00 0.00 179.25 181.19 2cru h LYS 32 N -0.36 0.00 -0.05 0.00 2.10 -1.64 1.17 116.57 117.78 2cru h LYS 32 Ca 0.12 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.64 2cru h LYS 32 Cb 0.55 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.89 2cru h LYS 32 CO -0.42 0.00 -0.46 1.25 -2.00 0.00 0.00 179.45 177.82 2cru h HIS 33 N 0.00 0.56 0.13 0.07 2.76 -0.90 -3.33 115.15 114.45 2cru h HIS 33 Ca 0.61 -0.27 -0.01 0.00 -2.20 0.00 0.00 60.37 58.50 2cru h HIS 33 Cb 3.02 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 31.91 2cru h HIS 33 CO 0.00 1.05 -0.06 0.00 -1.30 0.00 0.00 177.93 177.62 2cru h ARG 34 N -0.09 -0.17 -1.86 5.26 2.47 0.14 -2.24 114.38 117.90 2cru h ARG 34 Ca -0.04 0.01 0.55 0.00 -1.26 0.00 0.00 59.98 59.24 2cru h ARG 34 Cb 1.14 0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 29.41 2cru h ARG 34 CO 0.09 -0.10 1.32 0.93 0.56 0.00 0.00 179.97 182.76 2cru h GLU 35 N -0.19 0.00 0.08 0.04 5.08 -1.53 1.08 114.58 119.15 2cru h GLU 35 Ca -0.02 -0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 2cru h GLU 35 Cb 0.14 -0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.41 2cru h GLU 35 CO 0.03 0.00 -0.67 0.00 -1.00 0.00 0.00 179.01 177.37 2cru h ALA 36 N 1.13 -0.03 -0.51 3.43 0.00 -1.52 -1.40 119.26 120.37 2cru h ALA 36 Ca 0.93 -0.63 0.03 0.00 0.00 0.00 0.00 54.91 55.23 2cru h ALA 36 Cb 3.59 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 21.41 2cru h ALA 36 CO -0.10 0.33 0.30 0.93 0.00 0.00 0.00 179.25 180.71 2cru h GLU 37 N -0.32 0.58 -0.12 0.00 5.08 0.13 0.59 114.58 120.51 2cru h GLU 37 Ca -0.11 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.07 2cru h GLU 37 Cb 1.47 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.59 2cru h GLU 37 CO 0.13 0.38 -0.51 0.00 -1.00 0.00 0.00 179.01 178.02 2cru h MET 38 N 0.60 0.56 -0.61 2.33 -0.00 -1.29 -3.02 114.93 113.50 2cru h MET 38 Ca 0.21 -0.44 0.04 0.00 -0.00 0.00 0.00 59.70 59.51 2cru h MET 38 Cb 0.03 0.08 -0.05 0.00 -0.00 0.00 0.00 31.60 31.67 2cru h MET 38 CO -0.10 1.06 0.35 0.00 -0.00 0.00 0.00 176.91 178.22 2cru h ARG 39 N 0.19 0.65 0.08 -0.10 3.08 -1.01 -1.27 114.38 115.99 2cru h ARG 39 Ca -0.03 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 59.99 2cru h ARG 39 Cb 1.14 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 2cru h ARG 39 CO 0.11 0.43 -0.11 -0.97 -1.07 0.00 0.00 179.97 178.36 2cru h ASN 40 N 0.67 -0.29 -0.84 7.04 -0.73 -0.92 -0.23 115.58 120.27 2cru h ASN 40 Ca 0.26 0.03 0.07 0.00 1.87 0.00 0.00 56.30 58.53 2cru h ASN 40 Cb 0.11 0.11 -0.06 0.00 0.27 0.00 0.00 38.32 38.74 2cru h ASN 40 CO -0.14 -0.16 0.51 0.28 -0.37 0.00 0.00 177.43 177.55 2cru h SER 41 N -0.22 0.80 0.51 1.15 0.02 -1.35 0.48 113.55 114.94 2cru h SER 41 Ca 0.01 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2cru h SER 41 Cb 0.23 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2cru h SER 41 CO -0.05 0.50 -0.27 0.40 -1.14 0.00 0.00 176.83 176.27 2cru h ILE 42 N 0.93 0.88 0.18 3.27 2.04 -0.83 -1.85 117.51 122.13 2cru h ILE 42 Ca 0.37 -1.04 -0.31 0.00 1.00 0.00 0.00 64.86 64.88 2cru h ILE 42 Cb 0.20 1.61 0.03 0.00 -0.74 0.00 0.00 36.82 37.93 2cru h ILE 42 CO -0.19 0.26 -1.34 -0.07 0.00 0.00 0.00 178.15 176.81 2cru h LEU 43 N 0.00 0.85 -0.51 1.44 3.38 0.69 -2.96 115.31 118.19 2cru h LEU 43 Ca -0.00 -0.84 -0.12 0.00 0.09 0.00 0.00 57.88 57.01 2cru h LEU 43 Cb 0.59 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2cru h LEU 43 CO 0.03 1.64 -0.16 0.00 0.09 0.00 0.00 178.44 180.05 2cru h ALA 44 N 0.25 0.71 -0.16 1.53 0.00 -0.80 0.21 119.26 121.01 2cru h ALA 44 Ca -0.21 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 2cru h ALA 44 Cb 2.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2cru h ALA 44 CO 0.25 0.66 -0.24 -0.56 0.00 0.00 0.00 179.25 179.37 2cru h GLN 45 N 0.88 0.28 0.00 0.00 3.07 -1.43 -2.52 115.11 115.38 2cru h GLN 45 Ca 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 58.65 58.78 2cru h GLN 45 Cb 0.73 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.27 2cru h GLN 45 CO 0.06 0.50 -0.74 1.33 0.09 0.00 0.00 178.83 180.07 2cru n VAL 46 N -4.17 0.27 -4.35 1.86 0.24 -1.11 -4.72 118.33 106.36 2cru n VAL 46 Ca -0.01 -0.24 -0.34 0.00 -2.04 0.00 0.00 64.34 61.71 2cru n VAL 46 Cb 0.36 -0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.57 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 -4.05 2.53 0.46 1.34 1.43 0.74 -2.00 118.68 119.13 2cru s LEU 47 Ca 0.06 -0.47 -0.20 0.00 -1.03 0.00 0.00 54.13 52.49 2cru s LEU 47 Cb 0.14 -1.59 -0.10 0.00 0.03 0.00 0.00 46.19 44.67 2cru s LEU 47 CO 0.74 0.06 0.98 -0.62 0.23 0.00 0.00 176.35 177.74 2cru s ASP 48 N 0.99 6.71 0.24 2.29 2.15 -1.17 -4.63 116.67 123.24 2cru s ASP 48 Ca -0.02 1.74 0.05 0.00 0.43 0.00 0.00 52.55 54.75 2cru s ASP 48 Cb -0.15 -2.54 0.66 0.00 -0.30 0.00 0.00 42.92 40.59 2cru s ASP 48 CO -0.02 -0.52 1.14 1.67 -0.17 0.00 0.00 175.17 177.27 2cru n GLN 49 N -0.86 -0.05 0.20 4.34 7.27 -1.26 -0.43 117.38 126.58 2cru n GLN 49 Ca 0.08 1.07 -0.08 0.00 0.07 0.00 0.00 57.00 58.13 2cru n GLN 49 Cb 0.54 -1.74 -0.04 0.00 2.41 0.00 0.00 30.24 31.40 2cru n GLN 49 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2cru h SER 50 N 0.00 -0.43 -0.15 1.69 0.87 -1.92 -2.87 113.55 110.74 2cru h SER 50 Ca 0.48 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 61.10 2cru h SER 50 Cb 1.08 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 63.08 2cru h SER 50 CO -0.65 -0.30 -0.47 0.00 -0.53 0.00 0.00 176.83 174.87 2cru h ALA 51 N -1.76 -0.71 -0.52 6.23 0.00 -0.98 -2.57 119.26 118.94 2cru h ALA 51 Ca -0.05 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2cru h ALA 51 Cb 0.39 0.89 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 2cru h ALA 51 CO 0.08 -0.99 -0.31 -2.13 0.00 0.00 0.00 179.25 175.90 2cru n ARG 52 N -5.44 -0.23 -0.04 0.00 3.00 0.21 -0.33 116.66 113.83 2cru n ARG 52 Ca -0.05 1.01 -0.13 0.00 -0.00 0.00 0.00 57.85 58.69 2cru n ARG 52 Cb 0.37 -1.49 -0.07 0.00 0.00 0.00 0.00 32.46 31.27 2cru n ARG 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cru h ALA 53 N 0.04 -0.66 -0.78 5.13 0.00 -1.23 -0.98 119.26 120.78 2cru h ALA 53 Ca 0.08 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.16 2cru h ALA 53 Cb 0.21 0.90 -0.14 0.00 0.00 0.00 0.00 17.79 18.76 2cru h ALA 53 CO -0.49 -0.97 -0.10 -0.09 0.00 0.00 0.00 179.25 177.60 2cru h ARG 54 N -0.48 0.04 0.64 0.00 1.12 -0.32 0.35 114.38 115.73 2cru h ARG 54 Ca 0.08 -0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.92 2cru h ARG 54 Cb 0.63 -0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.59 2cru h ARG 54 CO -0.46 0.03 -0.37 1.25 -3.11 0.00 0.00 179.97 177.30 2cru h LEU 55 N 0.04 -0.92 -0.80 3.80 5.85 0.10 -2.94 115.31 120.44 2cru h LEU 55 Ca 0.41 0.05 0.18 0.00 0.84 0.00 0.00 57.88 59.36 2cru h LEU 55 Cb 0.68 0.26 -0.14 0.00 0.37 0.00 0.00 40.66 41.83 2cru h LEU 55 CO -0.76 -0.58 -0.03 -1.28 -0.34 0.00 0.00 178.44 175.45 2cru h SER 56 N -0.94 -0.44 -0.76 1.25 0.87 -0.43 0.15 113.55 113.25 2cru h SER 56 Ca -0.09 0.22 0.17 0.00 -1.23 0.00 0.00 61.79 60.86 2cru h SER 56 Cb 0.74 0.39 -0.13 0.00 -0.44 0.00 0.00 62.40 62.96 2cru h SER 56 CO 0.10 -0.22 -0.04 -1.13 -0.53 0.00 0.00 176.83 175.01 2cru h ASN 57 N 0.07 -0.43 0.08 6.23 -1.24 -0.79 0.95 115.58 120.45 2cru h ASN 57 Ca 0.43 0.20 -0.01 0.00 0.71 0.00 0.00 56.30 57.64 2cru h ASN 57 Cb 0.77 0.38 -0.00 0.00 0.73 0.00 0.00 38.32 40.19 2cru h ASN 57 CO -0.73 -0.20 -0.04 0.25 -1.29 0.00 0.00 177.43 175.41 2cru h LEU 58 N 0.07 0.00 -1.95 0.34 5.85 -0.55 -2.29 115.31 116.79 2cru h LEU 58 Ca 0.40 0.00 0.33 0.00 0.84 0.00 0.00 57.88 59.46 2cru h LEU 58 Cb 0.70 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 2cru h LEU 58 CO -0.70 0.04 0.86 0.00 -0.34 0.00 0.00 178.44 178.31 2cru h ALA 59 N 1.96 3.06 0.04 1.25 0.00 0.12 0.42 119.26 126.10 2cru h ALA 59 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2cru h ALA 59 Cb 0.10 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2cru h ALA 59 CO 0.01 -1.45 -0.02 -0.07 0.00 0.00 0.00 179.25 177.72 2cru h LEU 60 N 0.00 -0.04 -0.23 0.00 3.38 -1.50 -1.90 115.31 115.02 2cru h LEU 60 Ca 0.54 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.57 2cru h LEU 60 Cb 2.26 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 42.97 2cru h LEU 60 CO -0.01 0.01 -0.09 -0.37 0.09 0.00 0.00 178.44 178.08 2cru h VAL 61 N -0.13 0.70 -2.87 1.22 -1.51 -1.59 -3.33 116.25 108.73 2cru h VAL 61 Ca -0.01 0.00 -0.61 0.00 -1.23 0.00 0.00 66.70 64.85 2cru h VAL 61 Cb 0.04 0.70 -0.40 0.00 -2.13 0.00 0.00 31.29 29.50 2cru h VAL 61 CO 0.01 0.00 -0.73 -0.54 -1.23 0.00 0.00 177.57 175.08 2cru s LYS 62 N -6.19 1.74 0.54 5.19 1.02 0.14 -4.93 119.74 117.25 2cru s LYS 62 Ca -0.14 -2.67 0.34 0.00 0.02 0.00 0.00 55.97 53.52 2cru s LYS 62 Cb 0.11 -2.61 1.40 0.00 -0.52 0.00 0.00 37.83 36.21 2cru s LYS 62 CO 0.69 -1.28 1.99 -1.00 -0.92 0.00 0.00 175.35 174.83 2cru h PRO 63 N 5.81 0.00 0.08 -1.68 0.13 -1.44 -2.42 132.00 132.47 2cru h PRO 63 Ca 0.14 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.02 2cru h PRO 63 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2cru h PRO 63 CO 0.57 0.00 -1.30 0.93 -0.23 0.00 0.00 178.00 177.97 2cru h GLU 64 N 0.00 0.16 -0.47 0.86 4.39 -1.91 -3.30 114.58 114.31 2cru h GLU 64 Ca 0.00 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.41 2cru h GLU 64 Cb 0.48 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2cru h GLU 64 CO 0.00 1.13 0.23 -0.22 -1.16 0.00 0.00 179.01 179.00 2cru h LYS 65 N -0.51 0.67 -0.79 2.33 1.63 -1.94 -2.77 116.57 115.20 2cru h LYS 65 Ca -0.30 -0.10 0.10 0.00 -0.85 0.00 0.00 60.65 59.51 2cru h LYS 65 Cb 1.60 -0.12 -0.08 0.00 -0.60 0.00 0.00 32.23 33.03 2cru h LYS 65 CO -0.01 0.56 0.42 1.15 -3.45 0.00 0.00 179.45 178.12 2cru h THR 66 N 0.62 0.85 0.13 1.00 2.02 -1.61 -2.46 112.91 113.47 2cru h THR 66 Ca 0.16 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 67.13 2cru h THR 66 Cb 0.11 0.10 -0.04 0.00 -1.74 0.00 0.00 68.15 66.58 2cru h THR 66 CO -0.02 0.13 -0.34 0.11 0.37 0.00 0.00 175.52 175.76 2cru h LYS 67 N 0.69 -0.56 -0.58 6.66 1.57 -1.57 -2.61 116.57 120.16 2cru h LYS 67 Ca 0.39 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.31 2cru h LYS 67 Cb 0.42 0.13 -0.11 0.00 0.08 0.00 0.00 32.23 32.75 2cru h LYS 67 CO -0.28 -0.37 -0.39 0.00 -0.57 0.00 0.00 179.45 177.84 2cru h ALA 68 N 0.02 -0.19 -0.50 3.86 0.00 -1.37 -1.28 119.26 119.81 2cru h ALA 68 Ca 0.03 0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.15 2cru h ALA 68 Cb 0.61 0.87 -0.10 0.00 0.00 0.00 0.00 17.79 19.17 2cru h ALA 68 CO -0.20 -0.75 -0.41 0.28 0.00 0.00 0.00 179.25 178.17 2cru h VAL 69 N -0.20 0.12 -0.83 0.00 2.07 -1.29 0.73 116.25 116.86 2cru h VAL 69 Ca 0.21 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.93 2cru h VAL 69 Cb 0.56 0.12 -0.13 0.00 -1.52 0.00 0.00 31.29 30.31 2cru h VAL 69 CO -0.68 0.00 0.16 -0.33 0.02 0.00 0.00 177.57 176.74 2cru h GLU 70 N -0.26 0.18 0.00 1.57 5.08 -0.89 0.84 114.58 121.10 2cru h GLU 70 Ca 0.17 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2cru h GLU 70 Cb 0.57 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2cru h GLU 70 CO -0.63 0.12 -0.29 -0.91 -1.00 0.00 0.00 179.01 176.30 2cru h ASN 71 N 0.19 0.00 -0.06 1.42 2.35 -0.49 -1.92 115.58 117.08 2cru h ASN 71 Ca 0.49 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.18 2cru h ASN 71 Cb 0.94 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 2cru h ASN 71 CO -0.64 0.29 -0.22 0.22 -1.65 0.00 0.00 177.43 175.43 2cru h TYR 72 N 0.00 0.34 -0.56 1.19 3.20 0.20 -2.84 116.97 118.50 2cru h TYR 72 Ca -0.00 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.71 2cru h TYR 72 Cb 0.53 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 2cru h TYR 72 CO 0.00 0.84 0.29 -0.07 -1.64 0.00 0.00 178.16 177.58 2cru h LEU 73 N -0.26 0.71 0.36 2.82 3.38 -0.79 -1.90 115.31 119.63 2cru h LEU 73 Ca -0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2cru h LEU 73 Cb 0.86 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2cru h LEU 73 CO 0.05 0.62 -0.36 0.40 0.09 0.00 0.00 178.44 179.24 2cru h ILE 74 N 0.75 0.26 -0.71 1.22 2.04 -1.41 -0.21 117.51 119.44 2cru h ILE 74 Ca 0.19 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.16 2cru h ILE 74 Cb 0.09 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.38 2cru h ILE 74 CO -0.03 0.00 0.47 0.06 0.00 0.00 0.00 178.15 178.65 2cru h GLN 75 N -0.75 0.53 -0.41 2.37 3.07 -1.43 -0.61 115.11 117.88 2cru h GLN 75 Ca -0.03 -0.03 -0.11 0.00 0.09 0.00 0.00 58.65 58.57 2cru h GLN 75 Cb 0.67 -0.12 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 2cru h GLN 75 CO -0.06 0.35 -0.20 0.52 0.09 0.00 0.00 178.83 179.53 2cru h MET 76 N 0.55 0.80 -0.01 0.06 2.86 -0.64 -2.56 114.93 115.99 2cru h MET 76 Ca 0.33 -0.32 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2cru h MET 76 Cb 0.56 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 2cru h MET 76 CO -0.11 0.94 0.00 0.00 1.06 0.00 0.00 176.91 178.80 2cru h ALA 77 N 1.07 0.01 0.11 6.32 0.00 0.54 -0.82 119.26 126.49 2cru h ALA 77 Ca 0.10 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2cru h ALA 77 Cb 0.72 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2cru h ALA 77 CO 0.06 -0.45 -0.15 0.00 0.00 0.00 0.00 179.25 178.71 2cru h ARG 78 N -0.07 -0.29 0.04 0.00 3.08 -1.43 -3.00 114.38 112.71 2cru h ARG 78 Ca 0.00 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.10 2cru h ARG 78 Cb 0.08 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 2cru h ARG 78 CO -0.00 -0.19 -0.25 1.88 -1.07 0.00 0.00 179.97 180.34 2cru h TYR 79 N -0.30 -0.67 0.00 3.04 -1.99 -1.40 -3.47 116.97 112.18 2cru h TYR 79 Ca 0.01 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2cru h TYR 79 Cb 0.30 0.29 0.00 0.00 2.00 0.00 0.00 36.73 39.33 2cru h TYR 79 CO -0.15 -0.34 0.00 0.41 -0.00 0.00 0.00 178.16 178.08 2cru n GLY 80 N -1.37 1.22 0.12 3.88 0.00 -0.37 -5.06 105.19 103.61 2cru n GLY 80 Ca -0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 2cru n GLY 80 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2cru h GLN 81 N 0.00 0.13 -6.51 1.61 4.20 -1.67 -3.46 115.11 109.39 2cru h GLN 81 Ca 0.00 -0.21 -0.53 0.00 0.06 0.00 0.00 58.65 57.97 2cru h GLN 81 Cb 0.00 0.08 0.03 0.00 0.30 0.00 0.00 27.48 27.89 2cru h GLN 81 CO 0.00 1.10 0.97 -0.51 -0.67 0.00 0.00 178.83 179.73 2cru s LEU 82 N -7.55 4.37 -0.23 1.46 1.43 -1.26 -4.91 118.68 111.99 2cru s LEU 82 Ca -0.25 2.57 -0.13 0.00 -1.03 0.00 0.00 54.13 55.29 2cru s LEU 82 Cb 0.06 -3.57 -0.17 0.00 0.03 0.00 0.00 46.19 42.53 2cru s LEU 82 CO 0.68 -0.88 -0.03 -1.20 0.23 0.00 0.00 176.35 175.14 2cru n SER 83 N 5.03 1.96 -4.15 2.29 7.64 -1.26 -5.02 113.62 120.11 2cru n SER 83 Ca 0.15 0.27 -0.17 0.00 1.01 0.00 0.00 58.87 60.13 2cru n SER 83 Cb 0.39 -0.81 -0.10 0.00 -1.01 0.00 0.00 64.21 62.68 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 -2.47 1.49 -0.19 1.43 -1.05 -1.26 -5.09 118.70 111.56 2cru s GLU 84 Ca -0.32 -1.83 -0.29 0.00 -0.15 0.00 0.00 54.97 52.38 2cru s GLU 84 Cb 0.10 -0.15 -0.06 0.00 -0.44 0.00 0.00 34.13 33.57 2cru s GLU 84 CO 0.59 -0.38 2.18 1.63 0.95 0.00 0.00 175.26 180.22 2cru n LYS 85 N -0.51 2.03 -1.65 -4.83 5.02 -1.26 -4.89 118.16 112.07 2cru n LYS 85 Ca 0.01 0.60 -0.45 0.00 -2.02 0.00 0.00 58.31 56.45 2cru n LYS 85 Cb 0.66 -3.12 -0.02 0.00 -0.02 0.00 0.00 35.03 32.52 2cru n LYS 85 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2cru n VAL 86 N 7.30 1.43 -3.72 -0.18 0.31 -0.85 -4.71 118.33 117.91 2cru n VAL 86 Ca 0.29 -0.36 -0.20 0.00 -0.01 0.00 0.00 64.34 64.06 2cru n VAL 86 Cb 0.42 -1.31 -0.02 0.00 -0.91 0.00 0.00 33.84 32.01 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 -0.08 5.58 0.06 4.52 1.04 -1.26 -3.07 113.70 120.49 2cru s SER 87 Ca 0.64 -0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.59 2cru s SER 87 Cb -0.67 -1.12 -0.03 0.00 0.10 0.00 0.00 66.02 64.30 2cru s SER 87 CO 0.55 -0.35 0.96 1.21 0.98 0.00 0.00 173.24 176.59 2cru n GLU 88 N -1.45 -0.18 -0.14 4.02 2.13 -1.26 -0.47 120.64 123.29 2cru n GLU 88 Ca -0.02 0.94 -0.08 0.00 0.66 0.00 0.00 57.16 58.67 2cru n GLU 88 Cb 0.59 -1.40 -0.06 0.00 0.27 0.00 0.00 31.44 30.84 2cru n GLU 88 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2cru h GLN 89 N 0.00 -0.16 -0.65 5.31 -0.00 -1.99 0.14 115.11 117.75 2cru h GLN 89 Ca 0.06 0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.86 2cru h GLN 89 Cb 0.17 0.04 -0.12 0.00 0.00 0.00 0.00 27.48 27.56 2cru h GLN 89 CO -0.38 -0.11 -0.12 0.78 0.00 0.00 0.00 178.83 179.00 2cru h GLY 90 N -0.17 0.53 0.23 2.39 0.00 -1.39 -2.23 103.07 102.42 2cru h GLY 90 Ca 0.06 0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 2cru h GLY 90 CO -0.43 -0.24 -0.16 -2.00 0.00 0.00 0.00 176.54 173.71 2cru h LEU 91 N 0.02 -0.41 -1.18 3.11 5.85 0.57 -1.75 115.31 121.53 2cru h LEU 91 Ca 0.32 0.03 0.41 0.00 0.84 0.00 0.00 57.88 59.47 2cru h LEU 91 Cb 0.50 0.12 -0.12 0.00 0.37 0.00 0.00 40.66 41.54 2cru h LEU 91 CO -0.65 -0.23 0.76 -0.38 -0.34 0.00 0.00 178.44 177.60 2cru n ILE 92 N -3.23 -0.20 -0.04 4.05 5.41 0.34 0.21 119.36 125.89 2cru n ILE 92 Ca -0.05 1.51 -0.14 0.00 1.00 0.00 0.00 62.75 65.07 2cru n ILE 92 Cb 0.16 -2.48 -0.08 0.00 -0.71 0.00 0.00 39.64 36.53 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 0.39 -0.72 0.38 5.08 -0.91 -3.24 114.58 115.57 2cru h GLU 93 Ca 0.74 -0.27 0.08 0.00 -1.00 0.00 0.00 59.36 58.92 2cru h GLU 93 Cb 2.42 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 31.65 2cru h GLU 93 CO -0.38 0.88 0.39 0.82 -1.00 0.00 0.00 179.01 179.72 2cru h ILE 94 N -0.03 0.91 -0.44 3.13 2.04 0.33 0.07 117.51 123.52 2cru h ILE 94 Ca -0.00 -0.23 0.13 0.00 1.00 0.00 0.00 64.86 65.75 2cru h ILE 94 Cb 0.88 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 2cru h ILE 94 CO 0.06 0.12 0.39 -0.07 0.00 0.00 0.00 178.15 178.65 2cru h LEU 95 N 0.68 0.00 -3.53 1.44 3.38 -1.38 0.50 115.31 116.41 2cru h LEU 95 Ca 0.34 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.18 2cru h LEU 95 Cb 0.29 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 2cru h LEU 95 CO -0.23 0.00 0.16 0.29 0.09 0.00 0.00 178.44 178.75 2cru n LYS 96 N -4.01 4.02 0.00 1.13 5.02 0.00 -4.27 118.16 120.05 2cru n LYS 96 Ca 0.08 -2.93 0.00 0.00 -2.02 0.00 0.00 58.31 53.44 2cru n LYS 96 Cb 0.58 -2.20 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 2cru n LYS 96 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2cru n LYS 97 N 0.15 0.00 0.21 1.97 5.02 0.17 -4.34 118.16 121.35 2cru n LYS 97 Ca 0.34 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.80 2cru n LYS 97 Cb 1.27 -0.41 0.84 0.00 -0.02 0.00 0.00 35.03 36.72 2cru n LYS 97 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2cru h VAL 98 N 0.00 0.44 0.00 -0.18 3.04 -1.61 0.50 116.25 118.45 2cru h VAL 98 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2cru h VAL 98 Cb 0.75 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 2cru h VAL 98 CO 0.00 0.00 -0.12 -0.24 -1.01 0.00 0.00 177.57 176.20 2cru n SER 99 N -3.76 0.34 -0.30 3.17 2.88 -1.26 -4.49 113.62 110.21 2cru n SER 99 Ca 0.01 0.24 0.12 0.00 -1.33 0.00 0.00 58.87 57.92 2cru n SER 99 Cb 0.32 -0.56 0.27 0.00 -0.75 0.00 0.00 64.21 63.48 2cru n SER 99 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2cru h GLN 100 N -0.19 0.16 -4.33 -1.46 1.08 -1.75 -3.45 115.11 105.17 2cru h GLN 100 Ca 0.00 -0.01 -0.27 0.00 -1.45 0.00 0.00 58.65 56.92 2cru h GLN 100 Cb 0.12 -0.04 0.10 0.00 -0.05 0.00 0.00 27.48 27.61 2cru h GLN 100 CO 0.00 0.10 -0.47 0.94 -0.95 0.00 0.00 178.83 178.45 2cru n GLN 101 N -5.28 -5.33 -3.55 1.46 0.00 0.17 -5.01 117.38 99.84 2cru n GLN 101 Ca 0.20 0.57 -0.07 0.00 -0.00 0.00 0.00 57.00 57.70 2cru n GLN 101 Cb 0.66 -4.81 -0.02 0.00 0.00 0.00 0.00 30.24 26.07 2cru n GLN 101 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2cru s THR 102 N -3.22 0.00 -1.35 1.69 -1.32 -1.26 -5.07 115.64 105.11 2cru s THR 102 Ca 0.35 -0.11 -0.13 0.00 -1.21 0.00 0.00 61.69 60.59 2cru s THR 102 Cb -0.15 -1.19 0.10 0.00 -1.51 0.00 0.00 72.50 69.75 2cru s THR 102 CO 0.50 0.00 1.97 1.21 -2.21 0.00 0.00 174.62 176.08 2cru n GLU 103 N -0.28 3.23 -4.33 7.08 0.00 -1.26 -4.91 120.64 120.16 2cru n GLU 103 Ca -0.08 -3.14 -0.17 0.00 0.00 0.00 0.00 57.16 53.77 2cru n GLU 103 Cb 0.61 -3.16 -0.10 0.00 0.00 0.00 0.00 31.44 28.80 2cru n GLU 103 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2cru s LYS 104 N 2.13 1.36 -0.27 5.31 -0.14 -1.26 -5.16 119.74 121.70 2cru s LYS 104 Ca 0.45 -1.69 -0.16 0.00 -1.36 0.00 0.00 55.97 53.20 2cru s LYS 104 Cb 0.10 -0.59 0.08 0.00 -1.68 0.00 0.00 37.83 35.73 2cru s LYS 104 CO -0.03 -0.12 0.67 -0.08 -0.76 0.00 0.00 175.35 175.03 2cru s THR 105 N -3.45 -0.00 -0.30 2.17 -1.32 -1.26 -5.02 115.64 106.46 2cru s THR 105 Ca 0.30 0.01 -0.08 0.00 -1.21 0.00 0.00 61.69 60.70 2cru s THR 105 Cb 0.06 -0.96 0.17 0.00 -1.51 0.00 0.00 72.50 70.25 2cru s THR 105 CO 0.09 0.00 0.77 -0.89 -2.21 0.00 0.00 174.62 172.39 2cru s THR 106 N 1.52 -0.78 -0.30 5.08 2.01 -1.26 -5.15 115.64 116.77 2cru s THR 106 Ca -0.09 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 61.82 2cru s THR 106 Cb -0.05 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.60 2cru s THR 106 CO -0.18 0.00 0.64 0.28 -0.69 0.00 0.00 174.62 174.67 2cru s THR 107 N 2.80 -1.00 -0.19 -0.82 -1.32 -1.26 -5.14 115.64 108.72 2cru s THR 107 Ca 0.05 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.52 2cru s THR 107 Cb -0.12 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.93 2cru s THR 107 CO -0.18 0.00 0.00 -0.69 -2.21 0.00 0.00 174.62 171.54 2cru s VAL 108 N 2.89 0.80 0.06 5.08 1.01 -1.26 -5.13 120.40 123.85 2cru s VAL 108 Ca -0.01 -0.63 0.09 0.00 0.00 0.00 0.00 61.98 61.43 2cru s VAL 108 Cb -0.13 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2cru s VAL 108 CO -0.19 -0.09 -0.24 -0.54 0.00 0.00 0.00 175.10 174.04 2cru s LYS 109 N 1.74 1.56 -0.15 2.72 -0.14 -1.26 -5.08 119.74 119.13 2cru s LYS 109 Ca -0.01 -1.10 -0.36 0.00 -1.36 0.00 0.00 55.97 53.14 2cru s LYS 109 Cb -0.17 -1.77 -0.13 0.00 -1.68 0.00 0.00 37.83 34.08 2cru s LYS 109 CO -0.07 0.45 1.85 1.19 -0.76 0.00 0.00 175.35 178.00 2cru n PHE 110 N 1.61 2.25 -0.04 3.18 3.72 -1.26 -4.88 117.46 122.03 2cru n PHE 110 Ca -0.17 0.15 -0.05 0.00 -0.05 0.00 0.00 57.45 57.34 2cru n PHE 110 Cb 0.53 -2.61 -0.02 0.00 -0.94 0.00 0.00 39.48 36.45 2cru n PHE 110 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2cru n ASN 111 N 6.35 1.02 -4.14 4.37 5.15 -1.26 -4.99 115.26 121.76 2cru n ASN 111 Ca 0.24 0.17 -0.34 0.00 -0.60 0.00 0.00 54.58 54.05 2cru n ASN 111 Cb 0.24 -0.60 -0.02 0.00 -0.53 0.00 0.00 39.78 38.88 2cru n ASN 111 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2cru n ARG 112 N -3.52 -3.61 -0.28 1.20 5.12 -1.26 -4.83 116.66 109.48 2cru n ARG 112 Ca -0.07 0.42 -0.06 0.00 -1.93 0.00 0.00 57.85 56.20 2cru n ARG 112 Cb 0.26 -5.11 -0.02 0.00 -1.16 0.00 0.00 32.46 26.43 2cru n ARG 112 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2cru h SER 113 N -1.64 -1.51 0.00 0.55 0.87 -2.01 -3.45 113.55 106.35 2cru h SER 113 Ca -0.59 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 2cru h SER 113 Cb 1.38 0.72 0.00 0.00 -0.44 0.00 0.00 62.40 64.06 2cru h SER 113 CO 0.75 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.35 2cru n GLY 114 N -1.41 -0.01 0.00 5.77 0.00 -1.26 -5.00 105.19 103.27 2cru n GLY 114 Ca 0.04 0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.32 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 0.49 -3.63 1.61 -0.04 -1.26 -4.65 135.00 127.52 2cru n PRO 115 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2cru n PRO 115 Cb 0.00 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 31.99 2cru n PRO 115 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cru s SER 116 N -1.88 6.10 -0.09 3.54 0.01 -1.26 -5.08 113.70 115.04 2cru s SER 116 Ca 0.17 0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.48 2cru s SER 116 Cb 0.08 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 2cru s SER 116 CO 0.13 0.03 0.09 -0.94 0.41 0.00 0.00 173.24 172.96 2cru s SER 117 N 1.25 5.93 0.00 2.44 1.04 -1.26 -5.22 113.70 117.87 2cru s SER 117 Ca 0.08 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.83 2cru s SER 117 Cb -0.14 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.16 2cru s SER 117 CO 0.06 0.38 0.00 0.61 0.98 0.00 0.00 173.24 175.27