#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 -1.08 -0.09 1.61 0.01 -1.26 -5.17 113.70 107.73 2cru s SER 2 Ca 0.00 0.56 -0.30 0.00 1.31 0.00 0.00 55.95 57.52 2cru s SER 2 Cb 0.00 1.86 0.10 0.00 0.21 0.00 0.00 66.02 68.18 2cru s SER 2 CO 0.00 -0.20 0.82 -0.94 0.41 0.00 0.00 173.24 173.33 2cru s SER 3 N 2.89 -0.52 1.31 2.44 1.04 -1.26 -5.17 113.70 114.43 2cru s SER 3 Ca 0.13 0.52 -0.17 0.00 0.48 0.00 0.00 55.95 56.92 2cru s SER 3 Cb -0.12 0.43 0.25 0.00 0.10 0.00 0.00 66.02 66.69 2cru s SER 3 CO -0.19 -0.51 0.64 0.61 0.98 0.00 0.00 173.24 174.77 2cru n GLY 4 N 0.73 -3.64 0.64 7.32 0.00 -1.26 -5.04 105.19 103.93 2cru n GLY 4 Ca -0.15 -1.32 -0.03 0.00 0.00 0.00 0.00 46.02 44.52 2cru n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cru n SER 5 N -4.84 1.34 -3.70 1.61 2.88 -1.26 -5.14 113.62 104.52 2cru n SER 5 Ca 0.10 0.20 -0.02 0.00 -1.33 0.00 0.00 58.87 57.82 2cru n SER 5 Cb 0.42 -0.48 -0.01 0.00 -0.75 0.00 0.00 64.21 63.38 2cru n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cru s SER 6 N -5.84 -0.13 0.00 -3.46 1.04 -1.26 -5.19 113.70 98.86 2cru s SER 6 Ca -0.11 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2cru s SER 6 Cb 0.02 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2cru s SER 6 CO 0.17 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2cru n GLY 7 N -0.50 5.20 2.91 7.32 0.00 -1.26 -5.16 105.19 113.71 2cru n GLY 7 Ca -0.06 -1.64 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 2cru n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cru s LEU 8 N 0.00 -0.44 -0.96 0.99 1.02 -1.26 -5.08 118.68 112.96 2cru s LEU 8 Ca 0.00 0.22 -0.03 0.00 0.02 0.00 0.00 54.13 54.35 2cru s LEU 8 Cb 0.00 0.87 0.26 0.00 0.02 0.00 0.00 46.19 47.34 2cru s LEU 8 CO 0.00 -0.29 1.06 -2.11 0.02 0.00 0.00 176.35 175.03 2cru n ARG 9 N 5.35 3.36 -4.94 1.70 1.85 -1.26 -5.02 116.66 117.70 2cru n ARG 9 Ca -0.05 -4.53 -0.32 0.00 -1.00 0.00 0.00 57.85 51.94 2cru n ARG 9 Cb 0.50 -2.44 -0.16 0.00 -1.05 0.00 0.00 32.46 29.30 2cru n ARG 9 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2cru s ARG 10 N -1.98 3.16 0.24 2.89 3.00 -1.26 -5.12 118.95 119.88 2cru s ARG 10 Ca 0.31 -0.80 0.02 0.00 0.00 0.00 0.00 55.73 55.26 2cru s ARG 10 Cb -0.00 -2.45 -0.05 0.00 0.00 0.00 0.00 34.95 32.44 2cru s ARG 10 CO -0.03 0.15 0.04 -0.65 0.00 0.00 0.00 175.30 174.81 2cru s GLN 11 N 0.46 1.34 -0.32 3.54 -0.21 -1.26 -5.13 119.66 118.08 2cru s GLN 11 Ca -0.14 -1.70 -0.05 0.00 0.02 0.00 0.00 55.36 53.50 2cru s GLN 11 Cb -0.17 -0.44 0.04 0.00 1.00 0.00 0.00 33.01 33.44 2cru s GLN 11 CO 0.06 -0.18 0.06 1.03 -2.12 0.00 0.00 175.29 174.13 2cru s ARG 12 N -3.94 2.58 0.02 2.91 3.00 -1.26 -5.08 118.95 117.19 2cru s ARG 12 Ca 0.31 -1.18 -0.10 0.00 0.00 0.00 0.00 55.73 54.76 2cru s ARG 12 Cb 0.07 -3.33 0.01 0.00 0.00 0.00 0.00 34.95 31.69 2cru s ARG 12 CO 0.10 -0.63 0.19 -1.17 0.00 0.00 0.00 175.30 173.80 2cru s LEU 13 N 1.35 1.35 0.24 2.53 2.96 -1.26 -5.17 118.68 120.68 2cru s LEU 13 Ca -0.03 -0.25 -0.21 0.00 -0.22 0.00 0.00 54.13 53.43 2cru s LEU 13 Cb -0.19 0.91 0.06 0.00 0.50 0.00 0.00 46.19 47.47 2cru s LEU 13 CO 0.01 -0.48 0.93 0.00 -1.32 0.00 0.00 176.35 175.49 2cru s ALA 14 N -1.98 -1.36 0.00 5.97 0.00 -1.26 -5.05 121.76 118.07 2cru s ALA 14 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2cru s ALA 14 Cb -0.04 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.80 2cru s ALA 14 CO -0.01 -1.04 0.36 -0.85 0.00 0.00 0.00 175.76 174.23 2cru n GLU 15 N -0.57 0.20 -1.53 0.00 0.28 -1.26 -5.07 120.64 112.69 2cru n GLU 15 Ca -0.05 -0.43 -0.63 0.00 -0.16 0.00 0.00 57.16 55.89 2cru n GLU 15 Cb 0.60 -0.66 -0.10 0.00 1.43 0.00 0.00 31.44 32.71 2cru n GLU 15 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2cru n LEU 16 N -0.06 1.20 -3.74 -1.84 7.99 -1.26 -4.92 117.00 114.36 2cru n LEU 16 Ca 0.00 0.93 -0.16 0.00 -0.01 0.00 0.00 56.01 56.76 2cru n LEU 16 Cb 0.27 -0.94 -0.17 0.00 -0.11 0.00 0.00 43.42 42.48 2cru n LEU 16 CO 0.00 -0.76 -0.35 -1.10 -1.51 0.00 0.00 177.39 173.67 2cru s GLN 17 N 4.46 -0.04 0.09 3.23 -0.21 -1.26 -5.15 119.66 120.79 2cru s GLN 17 Ca 1.11 0.24 -0.25 0.00 0.02 0.00 0.00 55.36 56.47 2cru s GLN 17 Cb -1.42 -0.33 0.08 0.00 1.00 0.00 0.00 33.01 32.35 2cru s GLN 17 CO 0.72 -0.21 0.74 0.00 -2.12 0.00 0.00 175.29 174.42 2cru s ALA 18 N 1.37 -1.68 -0.15 6.09 0.00 -1.26 -5.16 121.76 120.96 2cru s ALA 18 Ca -0.05 0.67 -0.09 0.00 0.00 0.00 0.00 51.96 52.49 2cru s ALA 18 Cb -0.13 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.62 2cru s ALA 18 CO -0.03 -0.76 0.16 -1.59 0.00 0.00 0.00 175.76 173.55 2cru s LYS 19 N -3.46 3.84 -0.05 0.00 -2.85 -1.26 -5.02 119.74 110.93 2cru s LYS 19 Ca 0.04 -0.12 -0.18 0.00 -1.00 0.00 0.00 55.97 54.70 2cru s LYS 19 Cb -0.01 -3.30 -0.13 0.00 -2.06 0.00 0.00 37.83 32.33 2cru s LYS 19 CO -0.10 0.54 0.73 0.45 0.10 0.00 0.00 175.35 177.07 2cru h HIS 20 N 5.80 -0.27 -3.90 1.78 3.86 -2.04 -3.48 115.15 116.89 2cru h HIS 20 Ca -0.48 -0.01 -0.17 0.00 -1.16 0.00 0.00 60.37 58.56 2cru h HIS 20 Cb 1.19 0.09 0.09 0.00 1.06 0.00 0.00 27.41 29.84 2cru h HIS 20 CO 0.67 0.07 -0.40 0.41 0.86 0.00 0.00 177.93 179.54 2cru n GLY 21 N 0.65 0.02 3.05 2.45 0.00 -1.26 -5.06 105.19 105.04 2cru n GLY 21 Ca -0.07 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.67 0.29 0.25 1.61 1.11 -1.26 -5.03 116.67 109.97 2cru s ASP 22 Ca 0.02 -0.65 0.23 0.00 0.18 0.00 0.00 52.55 52.33 2cru s ASP 22 Cb -0.00 0.17 0.98 0.00 1.07 0.00 0.00 42.92 45.13 2cru s ASP 22 CO 0.38 -0.45 1.70 -0.81 1.18 0.00 0.00 175.17 177.17 2cru n PRO 23 N 0.93 0.19 -0.07 8.23 -0.04 -1.26 -3.43 135.00 139.55 2cru n PRO 23 Ca -0.20 0.42 -0.09 0.00 -0.04 0.00 0.00 63.50 63.59 2cru n PRO 23 Cb 0.58 -1.87 -0.07 0.00 -0.04 0.00 0.00 33.50 32.10 2cru n PRO 23 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2cru h GLY 24 N 2.21 0.00 -0.70 0.55 0.00 -2.02 -3.37 103.07 99.75 2cru h GLY 24 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.50 2cru h GLY 24 CO 0.00 0.00 -0.20 1.29 0.00 0.00 0.00 176.54 177.63 2cru h ASP 25 N -1.00 -0.76 -1.10 0.19 3.04 -1.99 0.57 116.42 115.37 2cru h ASP 25 Ca -0.04 0.25 0.36 0.00 -3.24 0.00 0.00 57.03 54.36 2cru h ASP 25 Cb 0.66 0.52 -0.14 0.00 -1.04 0.00 0.00 39.33 39.33 2cru h ASP 25 CO -0.03 -0.28 0.66 0.00 -2.04 0.00 0.00 179.24 177.55 2cru h ALA 26 N 1.85 2.24 -0.46 4.15 0.00 -1.72 0.55 119.26 125.86 2cru h ALA 26 Ca 0.42 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 2cru h ALA 26 Cb 0.65 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2cru h ALA 26 CO -0.87 -0.85 0.21 0.00 0.00 0.00 0.00 179.25 177.74 2cru h ALA 27 N 1.77 0.60 -0.13 0.00 0.00 0.00 0.81 119.26 122.31 2cru h ALA 27 Ca 0.76 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 2cru h ALA 27 Cb 1.98 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 2cru h ALA 27 CO -0.53 0.17 0.03 0.37 0.00 0.00 0.00 179.25 179.29 2cru h GLN 28 N 0.60 0.21 0.13 0.00 5.75 0.08 -2.24 115.11 119.65 2cru h GLN 28 Ca 0.16 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 2cru h GLN 28 Cb 0.14 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.66 2cru h GLN 28 CO -0.02 0.37 -0.06 1.96 -2.65 0.00 0.00 178.83 178.43 2cru h GLN 29 N 0.02 -0.17 -0.99 1.69 7.50 -1.15 0.28 115.11 122.29 2cru h GLN 29 Ca 0.04 0.01 0.18 0.00 0.50 0.00 0.00 58.65 59.38 2cru h GLN 29 Cb 0.25 0.04 -0.10 0.00 0.05 0.00 0.00 27.48 27.72 2cru h GLN 29 CO 0.00 -0.05 0.60 0.93 -1.50 0.00 0.00 178.83 178.80 2cru h GLU 30 N -0.25 0.76 0.01 1.46 4.39 -0.83 0.18 114.58 120.30 2cru h GLU 30 Ca -0.02 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 2cru h GLU 30 Cb 0.20 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2cru h GLU 30 CO 0.03 0.50 -0.00 0.00 -1.16 0.00 0.00 179.01 178.38 2cru h ALA 31 N 1.62 -0.14 -1.78 3.43 0.00 -1.09 -3.31 119.26 118.00 2cru h ALA 31 Ca 0.56 -0.00 0.52 0.00 0.00 0.00 0.00 54.91 55.98 2cru h ALA 31 Cb 0.82 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 2cru h ALA 31 CO -0.37 -0.14 1.28 1.57 0.00 0.00 0.00 179.25 181.60 2cru h LYS 32 N -0.05 0.00 -0.11 0.00 5.09 -0.42 0.48 116.57 121.55 2cru h LYS 32 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.76 2cru h LYS 32 Cb 0.01 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.32 2cru h LYS 32 CO 0.00 0.00 -0.03 1.25 -2.09 0.00 0.00 179.45 178.58 2cru h HIS 33 N 0.00 -0.07 -0.76 0.07 2.76 -0.73 -2.47 115.15 113.95 2cru h HIS 33 Ca 0.85 0.01 0.13 0.00 -2.20 0.00 0.00 60.37 59.15 2cru h HIS 33 Cb 3.40 0.05 -0.09 0.00 1.55 0.00 0.00 27.41 32.33 2cru h HIS 33 CO 0.00 -0.05 0.34 0.00 -1.30 0.00 0.00 177.93 176.92 2cru h ARG 34 N -0.01 0.52 -1.15 5.26 2.47 -0.13 0.05 114.38 121.39 2cru h ARG 34 Ca 0.05 -0.03 0.33 0.00 -1.26 0.00 0.00 59.98 59.07 2cru h ARG 34 Cb 0.09 -0.12 -0.10 0.00 -1.65 0.00 0.00 29.97 28.19 2cru h ARG 34 CO -0.12 0.34 0.75 1.49 0.56 0.00 0.00 179.97 183.00 2cru h GLU 35 N 0.53 0.24 0.00 0.04 4.81 -1.44 1.28 114.58 120.04 2cru h GLU 35 Ca 0.40 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.52 2cru h GLU 35 Cb 0.54 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.85 2cru h GLU 35 CO -0.35 0.16 -0.47 0.00 -0.73 0.00 0.00 179.01 177.62 2cru h ALA 36 N 1.58 0.74 0.07 2.92 0.00 -1.00 -2.86 119.26 120.70 2cru h ALA 36 Ca 0.66 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2cru h ALA 36 Cb 1.94 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.65 2cru h ALA 36 CO -0.29 0.59 -0.03 0.93 0.00 0.00 0.00 179.25 180.44 2cru h GLU 37 N 0.00 -0.08 0.04 0.00 5.08 0.17 -2.71 114.58 117.07 2cru h GLU 37 Ca -0.00 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2cru h GLU 37 Cb 1.27 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 2cru h GLU 37 CO 0.06 0.42 -0.14 0.00 -1.00 0.00 0.00 179.01 178.35 2cru h MET 38 N -0.95 -0.24 -0.75 2.33 -0.00 -1.11 -2.45 114.93 111.76 2cru h MET 38 Ca -0.01 0.02 0.08 0.00 -0.00 0.00 0.00 59.70 59.79 2cru h MET 38 Cb 0.54 0.05 -0.07 0.00 -0.00 0.00 0.00 31.60 32.13 2cru h MET 38 CO 0.01 -0.16 0.41 0.07 -0.00 0.00 0.00 176.91 177.25 2cru h ARG 39 N -0.25 0.70 -0.26 -0.10 0.11 -1.65 -2.07 114.38 110.85 2cru h ARG 39 Ca 0.03 -0.04 0.06 0.00 0.10 0.00 0.00 59.98 60.13 2cru h ARG 39 Cb 0.29 -0.16 -0.08 0.00 1.11 0.00 0.00 29.97 31.13 2cru h ARG 39 CO -0.10 0.46 -0.33 -0.91 0.10 0.00 0.00 179.97 179.19 2cru h ASN 40 N 0.72 -1.05 -0.03 0.08 2.35 -1.10 0.38 115.58 116.92 2cru h ASN 40 Ca 0.36 0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 56.26 2cru h ASN 40 Cb 0.31 0.47 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 2cru h ASN 40 CO -0.23 -0.34 -0.01 0.28 -1.65 0.00 0.00 177.43 175.48 2cru h SER 41 N -0.33 0.11 0.02 5.81 0.02 -1.17 0.11 113.55 118.11 2cru h SER 41 Ca 0.13 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 60.88 2cru h SER 41 Cb 0.54 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 2cru h SER 41 CO -0.44 0.14 -0.67 0.40 -1.14 0.00 0.00 176.83 175.12 2cru h ILE 42 N 0.12 1.32 0.00 3.27 2.04 -0.20 -2.04 117.51 122.02 2cru h ILE 42 Ca 0.03 -1.94 -0.16 0.00 1.00 0.00 0.00 64.86 63.79 2cru h ILE 42 Cb 0.10 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 2cru h ILE 42 CO 0.00 0.60 -0.75 -0.07 0.00 0.00 0.00 178.15 177.94 2cru h LEU 43 N 0.44 0.00 -0.37 1.44 3.38 0.36 -2.26 115.31 118.30 2cru h LEU 43 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 2cru h LEU 43 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 2cru h LEU 43 CO 0.13 0.75 -0.82 0.00 0.09 0.00 0.00 178.44 178.59 2cru h ALA 44 N 1.25 0.65 0.18 1.53 0.00 -0.78 -1.08 119.26 121.02 2cru h ALA 44 Ca -0.01 -0.74 -0.33 0.00 0.00 0.00 0.00 54.91 53.84 2cru h ALA 44 Cb 1.53 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 19.20 2cru h ALA 44 CO 0.10 1.01 -1.56 -0.56 0.00 0.00 0.00 179.25 178.24 2cru h GLN 45 N 0.01 0.39 0.00 0.00 3.07 -1.39 -3.31 115.11 113.88 2cru h GLN 45 Ca -0.01 -0.67 0.00 0.00 0.09 0.00 0.00 58.65 58.06 2cru h GLN 45 Cb 1.44 0.25 0.00 0.00 0.08 0.00 0.00 27.48 29.25 2cru h GLN 45 CO 0.11 1.30 -0.03 -0.39 0.09 0.00 0.00 178.83 179.90 2cru h VAL 46 N 0.11 0.00 -3.19 1.86 -1.51 -1.47 -3.41 116.25 108.64 2cru h VAL 46 Ca -0.27 -0.67 -0.66 0.00 -1.23 0.00 0.00 66.70 63.87 2cru h VAL 46 Cb 2.09 1.65 -0.34 0.00 -2.13 0.00 0.00 31.29 32.55 2cru h VAL 46 CO 0.21 0.00 -0.86 -0.76 -1.23 0.00 0.00 177.57 174.92 2cru s LEU 47 N -5.12 2.07 0.85 4.19 1.43 -0.41 -1.60 118.68 120.09 2cru s LEU 47 Ca 0.09 -0.59 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 2cru s LEU 47 Cb 0.10 -1.41 0.10 0.00 0.03 0.00 0.00 46.19 45.01 2cru s LEU 47 CO 0.63 0.06 1.10 -0.62 0.23 0.00 0.00 176.35 177.75 2cru s ASP 48 N 0.90 4.00 0.30 2.29 2.15 -1.17 -4.57 116.67 120.59 2cru s ASP 48 Ca -0.05 1.28 0.07 0.00 0.43 0.00 0.00 52.55 54.27 2cru s ASP 48 Cb -0.15 -1.97 0.79 0.00 -0.30 0.00 0.00 42.92 41.30 2cru s ASP 48 CO -0.03 -2.28 1.73 -0.61 -0.17 0.00 0.00 175.17 173.81 2cru h GLN 49 N -1.30 0.55 0.37 4.34 -0.00 -1.91 0.49 115.11 117.65 2cru h GLN 49 Ca -0.49 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.11 2cru h GLN 49 Cb 1.29 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 28.65 2cru h GLN 49 CO 0.59 0.36 -0.18 1.03 0.00 0.00 0.00 178.83 180.63 2cru h SER 50 N 0.56 -0.43 -0.43 -0.69 0.87 -1.92 -2.99 113.55 108.53 2cru h SER 50 Ca 0.60 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 61.26 2cru h SER 50 Cb 1.09 0.11 -0.09 0.00 -0.44 0.00 0.00 62.40 63.07 2cru h SER 50 CO -0.47 -0.30 -0.20 0.00 -0.53 0.00 0.00 176.83 175.33 2cru h ALA 51 N -1.76 0.11 -0.86 6.23 0.00 -1.69 -2.04 119.26 119.26 2cru h ALA 51 Ca -0.05 0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.13 2cru h ALA 51 Cb 0.38 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 18.54 2cru h ALA 51 CO 0.08 -0.56 -0.37 0.54 0.00 0.00 0.00 179.25 178.94 2cru n ARG 52 N -5.38 -0.24 -0.04 0.00 5.12 0.12 0.35 116.66 116.59 2cru n ARG 52 Ca 0.03 1.32 -0.08 0.00 -1.93 0.00 0.00 57.85 57.18 2cru n ARG 52 Cb 0.29 -1.95 -0.02 0.00 -1.16 0.00 0.00 32.46 29.63 2cru n ARG 52 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2cru h ALA 53 N 1.02 -0.01 -0.61 7.54 0.00 -1.22 -1.04 119.26 124.94 2cru h ALA 53 Ca 0.26 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.38 2cru h ALA 53 Cb 0.48 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.54 2cru h ALA 53 CO -0.84 -0.59 0.06 -0.09 0.00 0.00 0.00 179.25 177.79 2cru h ARG 54 N -0.16 0.17 0.86 0.00 9.65 -0.00 0.85 114.38 125.76 2cru h ARG 54 Ca 0.13 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 2cru h ARG 54 Cb 0.36 -0.04 0.01 0.00 -1.39 0.00 0.00 29.97 28.91 2cru h ARG 54 CO -0.32 0.12 -0.42 1.25 2.80 0.00 0.00 179.97 183.40 2cru h LEU 55 N 0.18 -0.98 -1.29 3.80 5.85 -0.44 -2.68 115.31 119.75 2cru h LEU 55 Ca 0.32 0.03 0.21 0.00 0.84 0.00 0.00 57.88 59.29 2cru h LEU 55 Cb 0.51 0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.71 2cru h LEU 55 CO -0.47 -0.70 0.62 -1.28 -0.34 0.00 0.00 178.44 176.27 2cru h SER 56 N -1.16 0.56 -0.66 1.25 0.87 -0.74 0.25 113.55 113.92 2cru h SER 56 Ca -0.12 0.07 0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2cru h SER 56 Cb 0.89 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.78 2cru h SER 56 CO 0.19 0.19 0.43 0.78 -0.53 0.00 0.00 176.83 177.90 2cru h ASN 57 N 0.54 0.61 1.13 6.23 4.21 -0.51 -0.22 115.58 127.57 2cru h ASN 57 Ca 0.54 -0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.98 2cru h ASN 57 Cb 1.14 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 38.19 2cru h ASN 57 CO -0.28 0.41 -0.33 0.25 -1.29 0.00 0.00 177.43 176.19 2cru h LEU 58 N 0.70 0.00 -1.49 1.61 5.85 -0.29 -3.16 115.31 118.53 2cru h LEU 58 Ca 0.28 0.00 0.18 0.00 0.84 0.00 0.00 57.88 59.17 2cru h LEU 58 Cb 0.20 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 2cru h LEU 58 CO -0.08 0.33 0.57 0.00 -0.34 0.00 0.00 178.44 178.91 2cru h ALA 59 N 1.67 2.11 0.00 1.25 0.00 -0.71 0.17 119.26 123.76 2cru h ALA 59 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2cru h ALA 59 Cb 0.98 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2cru h ALA 59 CO 0.04 -0.36 -0.00 -0.07 0.00 0.00 0.00 179.25 178.86 2cru h LEU 60 N 0.46 -0.00 -0.52 0.00 3.38 -1.62 -3.17 115.31 113.85 2cru h LEU 60 Ca 0.44 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.48 2cru h LEU 60 Cb 0.99 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.65 2cru h LEU 60 CO -0.17 0.00 -0.48 -0.37 0.09 0.00 0.00 178.44 177.52 2cru h VAL 61 N -0.01 0.06 -2.06 1.22 -1.51 -1.63 -3.39 116.25 108.94 2cru h VAL 61 Ca -0.00 0.00 -0.24 0.00 -1.23 0.00 0.00 66.70 65.23 2cru h VAL 61 Cb 0.00 0.06 -0.32 0.00 -2.13 0.00 0.00 31.29 28.90 2cru h VAL 61 CO 0.00 0.00 -0.57 -1.59 -1.23 0.00 0.00 177.57 174.18 2cru s LYS 62 N -5.77 0.32 0.26 5.19 -2.85 0.60 -5.02 119.74 112.47 2cru s LYS 62 Ca -0.14 0.19 0.03 0.00 -1.00 0.00 0.00 55.97 55.05 2cru s LYS 62 Cb 0.11 -0.64 0.32 0.00 -2.06 0.00 0.00 37.83 35.57 2cru s LYS 62 CO 0.64 -0.84 1.63 -1.00 0.10 0.00 0.00 175.35 175.89 2cru h PRO 63 N 8.23 0.36 0.00 1.78 0.13 -1.51 -3.33 132.00 137.66 2cru h PRO 63 Ca -0.15 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2cru h PRO 63 Cb 1.12 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2cru h PRO 63 CO 0.29 0.74 0.00 0.39 -0.23 0.00 0.00 178.00 179.19 2cru n GLU 64 N -4.00 0.00 -0.31 0.86 -0.58 -1.26 -0.65 120.64 114.70 2cru n GLU 64 Ca -0.02 0.82 0.15 0.00 -0.42 0.00 0.00 57.16 57.69 2cru n GLU 64 Cb 0.52 -1.39 0.31 0.00 -0.57 0.00 0.00 31.44 30.30 2cru n GLU 64 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2cru h LYS 65 N 0.00 0.09 -0.59 3.49 1.79 -1.94 0.47 116.57 119.88 2cru h LYS 65 Ca 0.00 -0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.53 2cru h LYS 65 Cb 0.00 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.57 2cru h LYS 65 CO 0.00 0.06 0.27 1.15 -1.08 0.00 0.00 179.45 179.85 2cru h THR 66 N 0.10 0.87 0.31 -0.16 2.02 -1.17 -1.52 112.91 113.36 2cru h THR 66 Ca 0.59 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.59 2cru h THR 66 Cb 1.23 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2cru h THR 66 CO -0.78 0.09 -0.34 0.11 0.37 0.00 0.00 175.52 174.98 2cru h LYS 67 N 0.50 -0.63 -0.12 6.66 1.57 0.23 -1.45 116.57 123.33 2cru h LYS 67 Ca 0.28 0.04 0.03 0.00 -1.87 0.00 0.00 60.65 59.13 2cru h LYS 67 Cb 0.26 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.66 2cru h LYS 67 CO -0.23 -0.42 -0.47 0.00 -0.57 0.00 0.00 179.45 177.76 2cru h ALA 68 N -1.17 -0.83 -0.92 3.86 0.00 -1.33 -2.00 119.26 116.87 2cru h ALA 68 Ca -0.04 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 54.97 2cru h ALA 68 Cb 0.58 0.95 -0.16 0.00 0.00 0.00 0.00 17.79 19.16 2cru h ALA 68 CO -0.05 -1.00 -0.36 0.28 0.00 0.00 0.00 179.25 178.12 2cru h VAL 69 N -0.50 0.04 -0.55 0.00 2.07 -1.24 0.20 116.25 116.27 2cru h VAL 69 Ca 0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 2cru h VAL 69 Cb 0.58 0.04 -0.11 0.00 -1.52 0.00 0.00 31.29 30.28 2cru h VAL 69 CO -0.38 0.00 -0.25 -0.33 0.02 0.00 0.00 177.57 176.63 2cru h GLU 70 N -0.03 -0.11 0.00 1.57 5.08 -0.52 0.82 114.58 121.38 2cru h GLU 70 Ca 0.34 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2cru h GLU 70 Cb 0.60 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2cru h GLU 70 CO -0.93 -0.07 -0.02 -0.97 -1.00 0.00 0.00 179.01 176.01 2cru h ASN 71 N -0.12 0.00 0.00 1.42 -1.24 -0.28 -2.65 115.58 112.72 2cru h ASN 71 Ca 0.25 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.25 2cru h ASN 71 Cb 0.51 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.56 2cru h ASN 71 CO -0.63 0.02 -0.07 0.22 -1.29 0.00 0.00 177.43 175.68 2cru h TYR 72 N 0.00 0.00 0.00 0.67 5.03 0.16 -3.08 116.97 119.75 2cru h TYR 72 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2cru h TYR 72 Cb 0.10 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.38 2cru h TYR 72 CO 0.00 0.66 0.09 1.28 -1.32 0.00 0.00 178.16 178.87 2cru n LEU 73 N -4.66 0.36 -0.07 2.82 4.77 0.47 -2.08 117.00 118.61 2cru n LEU 73 Ca -0.08 0.63 -0.09 0.00 -0.03 0.00 0.00 56.01 56.44 2cru n LEU 73 Cb 0.32 -0.65 -0.05 0.00 -2.33 0.00 0.00 43.42 40.71 2cru n LEU 73 CO 0.21 -0.75 -0.17 0.40 -1.33 0.00 0.00 177.39 175.75 2cru h ILE 74 N 0.00 0.52 -0.91 -0.08 2.04 -1.54 -3.26 117.51 114.28 2cru h ILE 74 Ca 0.00 -1.50 0.24 0.00 1.00 0.00 0.00 64.86 64.60 2cru h ILE 74 Cb 0.19 1.09 -0.13 0.00 -0.74 0.00 0.00 36.82 37.23 2cru h ILE 74 CO 0.00 0.18 0.38 0.06 0.00 0.00 0.00 178.15 178.76 2cru h GLN 75 N -1.00 0.33 -0.81 2.37 3.07 -1.32 0.36 115.11 118.11 2cru h GLN 75 Ca -0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 58.65 58.61 2cru h GLN 75 Cb 0.64 -0.08 -0.04 0.00 0.08 0.00 0.00 27.48 28.09 2cru h GLN 75 CO -0.05 0.22 0.38 0.00 0.09 0.00 0.00 178.83 179.48 2cru h MET 76 N 0.34 1.17 -0.03 0.06 -0.00 -1.68 -2.25 114.93 112.54 2cru h MET 76 Ca 0.58 -0.18 -0.00 0.00 -0.00 0.00 0.00 59.70 60.11 2cru h MET 76 Cb 1.16 -0.21 -0.00 0.00 -0.00 0.00 0.00 31.60 32.55 2cru h MET 76 CO -0.57 0.91 0.02 0.00 -0.00 0.00 0.00 176.91 177.26 2cru h ALA 77 N 1.20 0.04 -0.41 -3.00 0.00 -0.36 -2.02 119.26 114.71 2cru h ALA 77 Ca 0.28 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.20 2cru h ALA 77 Cb 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2cru h ALA 77 CO -0.03 -0.42 0.14 0.00 0.00 0.00 0.00 179.25 178.93 2cru h ARG 78 N -0.02 0.28 -0.90 0.00 3.08 -1.13 -1.76 114.38 113.93 2cru h ARG 78 Ca 0.01 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.10 2cru h ARG 78 Cb 0.07 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 2cru h ARG 78 CO -0.00 0.19 0.59 1.88 -1.07 0.00 0.00 179.97 181.56 2cru h TYR 79 N 0.29 1.06 0.00 3.04 0.05 -1.25 -3.46 116.97 116.70 2cru h TYR 79 Ca 0.19 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.00 2cru h TYR 79 Cb 0.19 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.57 2cru h TYR 79 CO -0.16 0.57 0.00 0.41 -1.05 0.00 0.00 178.16 177.93 2cru n GLY 80 N -1.40 1.59 0.08 3.88 0.00 -0.66 -5.00 105.19 103.69 2cru n GLY 80 Ca 0.13 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 0.03 -6.19 1.61 1.08 -1.76 -3.46 115.11 106.42 2cru h GLN 81 Ca 0.00 -0.05 -0.56 0.00 -1.45 0.00 0.00 58.65 56.59 2cru h GLN 81 Cb 0.22 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2cru h GLN 81 CO 0.00 0.62 1.33 -0.51 -0.95 0.00 0.00 178.83 179.33 2cru s LEU 82 N -6.26 3.95 -0.10 1.46 1.43 -1.26 -4.88 118.68 113.02 2cru s LEU 82 Ca -0.05 2.23 -0.27 0.00 -1.03 0.00 0.00 54.13 55.00 2cru s LEU 82 Cb 0.08 -3.52 -0.23 0.00 0.03 0.00 0.00 46.19 42.54 2cru s LEU 82 CO 0.82 -1.47 0.89 -1.28 0.23 0.00 0.00 176.35 175.54 2cru h SER 83 N 12.54 -0.01 -5.44 2.29 0.87 -1.98 -3.49 113.55 118.33 2cru h SER 83 Ca -0.44 -0.81 -0.18 0.00 -1.23 0.00 0.00 61.79 59.13 2cru h SER 83 Cb 1.23 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 63.08 2cru h SER 83 CO 0.96 0.82 -0.30 -1.83 -0.53 0.00 0.00 176.83 175.95 2cru s GLU 84 N -2.80 1.54 0.00 2.24 -1.05 -1.26 -5.12 118.70 112.25 2cru s GLU 84 Ca -0.17 -1.51 -0.38 0.00 -0.15 0.00 0.00 54.97 52.76 2cru s GLU 84 Cb -0.02 0.40 -0.17 0.00 -0.44 0.00 0.00 34.13 33.90 2cru s GLU 84 CO 0.66 -0.60 1.37 1.63 0.95 0.00 0.00 175.26 179.27 2cru n LYS 85 N -0.40 0.96 -1.99 -4.83 5.02 -1.26 -4.84 118.16 110.82 2cru n LYS 85 Ca 0.00 0.35 -0.42 0.00 -2.02 0.00 0.00 58.31 56.22 2cru n LYS 85 Cb 0.63 -1.97 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 2cru n LYS 85 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2cru s VAL 86 N 0.96 3.22 0.56 -0.18 1.01 -0.63 -4.78 120.40 120.56 2cru s VAL 86 Ca 0.88 0.62 -0.11 0.00 0.00 0.00 0.00 61.98 63.37 2cru s VAL 86 Cb -1.03 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 2cru s VAL 86 CO 0.52 -0.01 0.95 -0.55 0.00 0.00 0.00 175.10 176.02 2cru s SER 87 N 2.41 6.34 0.20 3.32 0.15 -1.26 -3.02 113.70 121.84 2cru s SER 87 Ca 0.72 1.33 -0.21 0.00 0.70 0.00 0.00 55.95 58.49 2cru s SER 87 Cb -0.38 -2.42 0.14 0.00 -1.71 0.00 0.00 66.02 61.65 2cru s SER 87 CO 0.31 -0.72 1.49 1.21 1.20 0.00 0.00 173.24 176.73 2cru n GLU 88 N -2.31 -0.29 0.04 5.44 0.00 -1.26 -0.63 120.64 121.63 2cru n GLU 88 Ca 0.05 1.48 -0.13 0.00 0.00 0.00 0.00 57.16 58.55 2cru n GLU 88 Cb 0.54 -2.18 -0.07 0.00 0.00 0.00 0.00 31.44 29.73 2cru n GLU 88 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2cru h GLN 89 N 0.00 -0.54 -0.56 5.31 4.20 -2.00 -1.08 115.11 120.45 2cru h GLN 89 Ca 0.28 0.04 0.11 0.00 0.06 0.00 0.00 58.65 59.14 2cru h GLN 89 Cb 0.52 0.12 -0.09 0.00 0.30 0.00 0.00 27.48 28.33 2cru h GLN 89 CO -0.94 -0.36 -0.02 0.78 -0.67 0.00 0.00 178.83 177.62 2cru h GLY 90 N -0.56 0.56 0.55 3.46 0.00 -1.23 -2.30 103.07 103.55 2cru h GLY 90 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2cru h GLY 90 CO -0.34 -0.17 -0.36 -2.00 0.00 0.00 0.00 176.54 173.66 2cru h LEU 91 N 0.10 -1.01 -0.96 3.11 5.85 -0.42 -2.01 115.31 119.98 2cru h LEU 91 Ca 0.28 0.09 0.30 0.00 0.84 0.00 0.00 57.88 59.40 2cru h LEU 91 Cb 0.45 0.35 -0.15 0.00 0.37 0.00 0.00 40.66 41.67 2cru h LEU 91 CO -0.49 -0.49 0.38 0.40 -0.34 0.00 0.00 178.44 177.91 2cru h ILE 92 N -0.71 0.23 0.46 4.05 2.04 -0.68 0.51 117.51 123.41 2cru h ILE 92 Ca -0.01 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2cru h ILE 92 Cb 0.66 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2cru h ILE 92 CO -0.11 0.04 -0.22 -0.33 0.00 0.00 0.00 178.15 177.53 2cru h GLU 93 N 0.20 -0.59 -0.62 2.37 5.08 -0.96 -3.10 114.58 116.96 2cru h GLU 93 Ca 0.67 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 59.20 2cru h GLU 93 Cb 1.50 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 30.79 2cru h GLU 93 CO -0.69 -0.33 0.04 0.82 -1.00 0.00 0.00 179.01 177.86 2cru h ILE 94 N -0.76 0.52 -1.18 3.13 2.04 -0.32 0.69 117.51 121.63 2cru h ILE 94 Ca -0.06 -0.05 0.38 0.00 1.00 0.00 0.00 64.86 66.12 2cru h ILE 94 Cb 0.54 0.36 -0.13 0.00 -0.74 0.00 0.00 36.82 36.85 2cru h ILE 94 CO 0.10 0.03 0.73 -0.07 0.00 0.00 0.00 178.15 178.95 2cru h LEU 95 N 0.15 0.34 -3.95 1.44 3.38 -1.12 1.12 115.31 116.68 2cru h LEU 95 Ca 0.33 0.15 -0.61 0.00 0.09 0.00 0.00 57.88 57.83 2cru h LEU 95 Cb 0.52 0.12 -0.30 0.00 0.09 0.00 0.00 40.66 41.10 2cru h LEU 95 CO -0.50 -0.15 0.63 0.29 0.09 0.00 0.00 178.44 178.81 2cru n LYS 96 N -4.80 2.64 0.00 1.13 4.01 0.23 -4.31 118.16 117.06 2cru n LYS 96 Ca 0.34 -3.31 0.00 0.00 -0.51 0.00 0.00 58.31 54.83 2cru n LYS 96 Cb 1.23 -2.24 0.00 0.00 -0.51 0.00 0.00 35.03 33.50 2cru n LYS 96 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2cru n LYS 97 N -0.96 0.22 -0.00 1.97 5.02 0.38 -4.43 118.16 120.37 2cru n LYS 97 Ca 0.59 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.90 2cru n LYS 97 Cb 0.92 -0.67 0.35 0.00 -0.02 0.00 0.00 35.03 35.61 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 1.16 0.05 -0.18 3.04 -1.64 -2.71 116.25 115.97 2cru h VAL 98 Ca 0.00 -0.52 -0.35 0.00 -1.01 0.00 0.00 66.70 64.82 2cru h VAL 98 Cb 0.34 0.75 -0.04 0.00 -2.01 0.00 0.00 31.29 30.33 2cru h VAL 98 CO 0.00 0.20 -1.96 -1.20 -1.01 0.00 0.00 177.57 173.59 2cru n SER 99 N -4.37 2.01 -0.32 3.17 7.64 -1.26 -4.29 113.62 116.20 2cru n SER 99 Ca 0.02 0.22 0.19 0.00 1.01 0.00 0.00 58.87 60.31 2cru n SER 99 Cb 0.16 -0.81 0.39 0.00 -1.01 0.00 0.00 64.21 62.95 2cru n SER 99 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2cru h GLN 100 N -0.36 0.29 -5.71 1.43 5.75 -1.76 -3.42 115.11 111.34 2cru h GLN 100 Ca -0.47 -0.02 -0.81 0.00 -0.15 0.00 0.00 58.65 57.21 2cru h GLN 100 Cb 1.76 -0.07 0.02 0.00 1.07 0.00 0.00 27.48 30.27 2cru h GLN 100 CO -0.09 0.19 0.45 0.94 -2.65 0.00 0.00 178.83 177.67 2cru n GLN 101 N -5.11 0.00 -1.65 1.69 0.00 -1.02 -4.75 117.38 106.54 2cru n GLN 101 Ca 0.27 0.00 -0.48 0.00 -0.00 0.00 0.00 57.00 56.79 2cru n GLN 101 Cb 0.84 -1.43 -0.05 0.00 0.00 0.00 0.00 30.24 29.60 2cru n GLN 101 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2cru n THR 102 N 2.97 0.04 -2.30 1.69 5.66 -1.26 -4.90 114.28 116.17 2cru n THR 102 Ca 0.26 -0.01 -0.20 0.00 -3.05 0.00 0.00 64.05 61.05 2cru n THR 102 Cb -0.01 -1.36 0.02 0.00 -1.55 0.00 0.00 70.33 67.43 2cru n THR 102 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2cru n GLU 103 N 3.40 3.13 -0.52 1.09 0.28 -1.26 -4.87 120.64 121.89 2cru n GLU 103 Ca 0.18 -4.11 0.43 0.00 -0.16 0.00 0.00 57.16 53.50 2cru n GLU 103 Cb 0.26 -2.10 0.70 0.00 1.43 0.00 0.00 31.44 31.73 2cru n GLU 103 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2cru n LYS 104 N -0.59 -0.03 -3.62 3.44 2.85 -1.26 -4.23 118.16 114.73 2cru n LYS 104 Ca 0.35 1.18 -0.03 0.00 -1.05 0.00 0.00 58.31 58.76 2cru n LYS 104 Cb 0.85 -2.42 -0.05 0.00 -0.65 0.00 0.00 35.03 32.76 2cru n LYS 104 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2cru s THR 105 N -5.10 -0.53 0.86 0.58 -1.32 -1.26 -5.16 115.64 103.70 2cru s THR 105 Ca -0.07 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.30 2cru s THR 105 Cb 0.29 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.39 2cru s THR 105 CO 0.82 0.00 1.15 0.42 -2.21 0.00 0.00 174.62 174.80 2cru s THR 106 N 2.30 2.29 0.22 5.08 -4.23 -1.26 -4.91 115.64 115.14 2cru s THR 106 Ca -0.07 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.47 2cru s THR 106 Cb -0.08 -2.30 0.17 0.00 1.34 0.00 0.00 72.50 71.63 2cru s THR 106 CO -0.19 -0.11 1.78 0.00 -0.54 0.00 0.00 174.62 175.56 2cru h THR 107 N -1.47 0.85 -3.26 3.99 1.03 -2.02 -3.42 112.91 108.61 2cru h THR 107 Ca -0.44 -0.21 -0.18 0.00 -0.01 0.00 0.00 66.41 65.58 2cru h THR 107 Cb 1.27 0.20 -0.26 0.00 -1.07 0.00 0.00 68.15 68.29 2cru h THR 107 CO 0.44 0.11 -0.48 0.68 -0.01 0.00 0.00 175.52 176.26 2cru s VAL 108 N -6.06 0.00 -0.22 0.00 -7.23 -1.26 -5.07 120.40 100.56 2cru s VAL 108 Ca -0.13 -0.03 -0.17 0.00 -1.81 0.00 0.00 61.98 59.84 2cru s VAL 108 Cb 0.18 -0.29 -0.13 0.00 0.56 0.00 0.00 36.38 36.70 2cru s VAL 108 CO 0.76 -0.02 -0.11 0.29 -0.31 0.00 0.00 175.10 175.71 2cru n LYS 109 N 2.89 0.55 -4.09 4.82 4.76 -1.26 -4.91 118.16 120.92 2cru n LYS 109 Ca -0.13 0.42 -0.34 0.00 -2.87 0.00 0.00 58.31 55.39 2cru n LYS 109 Cb 0.58 -1.61 -0.15 0.00 -1.84 0.00 0.00 35.03 32.01 2cru n LYS 109 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2cru s PHE 110 N -2.46 2.88 -1.07 2.13 0.40 -1.26 -5.05 117.98 113.54 2cru s PHE 110 Ca -0.30 -1.14 -0.21 0.00 -0.60 0.00 0.00 56.93 54.67 2cru s PHE 110 Cb 0.08 -2.01 0.07 0.00 0.51 0.00 0.00 43.02 41.67 2cru s PHE 110 CO 0.48 -0.60 1.47 1.21 0.70 0.00 0.00 175.22 178.49 2cru s ASN 111 N 1.28 6.60 0.26 1.36 2.47 -1.26 -4.99 114.94 120.66 2cru s ASN 111 Ca 0.03 -1.75 -0.27 0.00 0.42 0.00 0.00 52.86 51.29 2cru s ASN 111 Cb -0.14 -2.55 -0.09 0.00 -1.45 0.00 0.00 41.25 37.02 2cru s ASN 111 CO -0.05 -1.37 0.91 -0.13 -3.72 0.00 0.00 177.10 172.73 2cru s ARG 112 N 4.47 4.67 0.01 0.43 1.81 -1.26 -5.07 118.95 124.01 2cru s ARG 112 Ca 0.46 1.34 -0.02 0.00 -1.72 0.00 0.00 55.73 55.79 2cru s ARG 112 Cb 0.00 -3.06 -0.01 0.00 -0.45 0.00 0.00 34.95 31.44 2cru s ARG 112 CO -0.06 0.42 0.03 -1.12 -0.68 0.00 0.00 175.30 173.88 2cru s SER 113 N -1.39 0.12 0.00 0.23 0.01 -1.26 -5.10 113.70 106.32 2cru s SER 113 Ca 0.44 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.41 2cru s SER 113 Cb -0.22 0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.13 2cru s SER 113 CO 0.27 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2cru n GLY 114 N 1.93 -1.09 3.59 3.44 0.00 -1.26 -5.18 105.19 106.62 2cru n GLY 114 Ca -0.21 0.67 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 2cru n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cru s PRO 115 N 0.00 -1.36 0.38 1.61 0.04 -1.26 -5.09 135.00 129.31 2cru s PRO 115 Ca 0.00 -0.11 -0.15 0.00 0.04 0.00 0.00 61.00 60.77 2cru s PRO 115 Cb 0.00 -1.58 0.05 0.00 0.04 0.00 0.00 34.50 33.01 2cru s PRO 115 CO 0.00 -3.79 0.77 -1.54 0.04 0.00 0.00 177.00 172.47 2cru s SER 116 N -3.93 0.04 0.43 6.66 1.04 -1.26 -5.16 113.70 111.53 2cru s SER 116 Ca 0.71 -1.13 -0.21 0.00 0.48 0.00 0.00 55.95 55.80 2cru s SER 116 Cb -0.09 0.83 -0.11 0.00 0.10 0.00 0.00 66.02 66.76 2cru s SER 116 CO 0.56 -1.65 0.95 -0.55 0.98 0.00 0.00 173.24 173.53 2cru s SER 117 N -3.07 6.91 0.00 7.02 0.15 -1.26 -5.38 113.70 118.08 2cru s SER 117 Ca 0.16 1.67 0.00 0.00 0.70 0.00 0.00 55.95 58.48 2cru s SER 117 Cb -0.05 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2cru s SER 117 CO 0.12 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.79