#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 1.33 0.38 1.61 0.15 -1.26 -5.19 113.70 110.73 2cru s SER 2 Ca 0.00 -1.66 0.04 0.00 0.70 0.00 0.00 55.95 55.03 2cru s SER 2 Cb 0.00 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.83 2cru s SER 2 CO 0.00 -1.07 0.15 -0.55 1.20 0.00 0.00 173.24 172.97 2cru s SER 3 N -3.32 2.48 0.07 5.45 0.15 -1.26 -5.11 113.70 112.16 2cru s SER 3 Ca 0.39 -1.66 -0.01 0.00 0.70 0.00 0.00 55.95 55.37 2cru s SER 3 Cb 0.03 0.47 -0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2cru s SER 3 CO 0.24 -0.93 -0.03 0.61 1.20 0.00 0.00 173.24 174.34 2cru n GLY 4 N -0.82 -0.08 2.68 9.45 0.00 -1.26 -5.05 105.19 110.11 2cru n GLY 4 Ca -0.03 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.54 -3.97 -3.63 1.61 2.88 -1.26 -5.00 113.62 100.72 2cru n SER 5 Ca -0.01 -0.33 -0.23 0.00 -1.33 0.00 0.00 58.87 56.96 2cru n SER 5 Cb 0.07 -3.22 0.19 0.00 -0.75 0.00 0.00 64.21 60.50 2cru n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cru n SER 6 N -1.47 -3.17 -0.72 -3.46 3.41 -1.26 -5.05 113.62 101.91 2cru n SER 6 Ca -0.04 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 2cru n SER 6 Cb 0.55 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2cru n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cru n GLY 7 N 2.20 6.53 3.50 5.00 0.00 -1.26 -5.18 105.19 115.99 2cru n GLY 7 Ca 0.07 -2.09 -0.15 0.00 0.00 0.00 0.00 46.02 43.85 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 1.02 0.45 0.99 1.02 -1.26 -5.19 118.68 115.71 2cru s LEU 8 Ca 0.00 -1.50 0.05 0.00 0.02 0.00 0.00 54.13 52.70 2cru s LEU 8 Cb 0.00 1.50 -0.05 0.00 0.02 0.00 0.00 46.19 47.66 2cru s LEU 8 CO 0.00 -1.32 0.01 -0.13 0.02 0.00 0.00 176.35 174.93 2cru s ARG 9 N -2.98 2.05 0.19 1.70 3.00 -1.26 -5.17 118.95 116.48 2cru s ARG 9 Ca 0.30 -2.22 -0.01 0.00 0.00 0.00 0.00 55.73 53.81 2cru s ARG 9 Cb -0.01 -1.60 -0.04 0.00 0.00 0.00 0.00 34.95 33.30 2cru s ARG 9 CO 0.21 -0.17 0.11 1.03 0.00 0.00 0.00 175.30 176.48 2cru s ARG 10 N -3.77 1.15 0.50 3.54 0.52 -1.26 -5.18 118.95 114.44 2cru s ARG 10 Ca 0.24 -1.59 0.07 0.00 -0.52 0.00 0.00 55.73 53.94 2cru s ARG 10 Cb 0.07 0.21 0.03 0.00 0.52 0.00 0.00 34.95 35.78 2cru s ARG 10 CO 0.12 -0.34 0.50 1.14 0.02 0.00 0.00 175.30 176.74 2cru s GLN 11 N -4.12 2.40 0.34 3.54 -2.07 -1.26 -5.15 119.66 113.36 2cru s GLN 11 Ca 0.35 -1.70 -0.04 0.00 -1.82 0.00 0.00 55.36 52.14 2cru s GLN 11 Cb 0.07 -2.38 0.01 0.00 -1.09 0.00 0.00 33.01 29.62 2cru s GLN 11 CO 0.09 -0.51 0.51 1.03 -1.32 0.00 0.00 175.29 175.10 2cru s ARG 12 N -4.33 1.94 0.39 9.60 0.52 -1.26 -5.18 118.95 120.63 2cru s ARG 12 Ca 0.47 -1.70 0.08 0.00 -0.52 0.00 0.00 55.73 54.05 2cru s ARG 12 Cb -0.04 0.47 -0.02 0.00 0.52 0.00 0.00 34.95 35.88 2cru s ARG 12 CO 0.29 -0.82 0.39 -0.48 0.02 0.00 0.00 175.30 174.70 2cru s LEU 13 N -3.21 3.51 -0.21 2.53 2.34 -1.26 -5.12 118.68 117.26 2cru s LEU 13 Ca 0.28 -0.61 0.01 0.00 0.06 0.00 0.00 54.13 53.88 2cru s LEU 13 Cb -0.01 -2.22 0.04 0.00 -0.56 0.00 0.00 46.19 43.44 2cru s LEU 13 CO 0.19 -0.59 -0.13 0.00 -1.06 0.00 0.00 176.35 174.76 2cru s ALA 14 N -2.40 2.23 0.42 1.48 0.00 -1.26 -5.12 121.76 117.11 2cru s ALA 14 Ca 0.47 -1.36 -0.22 0.00 0.00 0.00 0.00 51.96 50.85 2cru s ALA 14 Cb -0.05 -1.34 -0.10 0.00 0.00 0.00 0.00 23.12 21.63 2cru s ALA 14 CO 0.28 -0.81 0.99 -2.00 0.00 0.00 0.00 175.76 174.23 2cru s GLU 15 N 1.29 4.16 -0.26 0.00 -6.30 -1.26 -5.03 118.70 111.30 2cru s GLU 15 Ca -0.02 1.29 -0.10 0.00 -2.50 0.00 0.00 54.97 53.65 2cru s GLU 15 Cb -0.16 -2.33 0.11 0.00 0.00 0.00 0.00 34.13 31.74 2cru s GLU 15 CO -0.08 -0.10 0.57 -0.51 0.02 0.00 0.00 175.26 175.15 2cru s LEU 16 N -2.97 -0.89 0.52 2.70 1.43 -1.26 -5.17 118.68 113.03 2cru s LEU 16 Ca 0.61 1.34 0.04 0.00 -1.03 0.00 0.00 54.13 55.09 2cru s LEU 16 Cb -0.15 1.96 0.01 0.00 0.03 0.00 0.00 46.19 48.04 2cru s LEU 16 CO 0.19 -0.22 0.24 -1.10 0.23 0.00 0.00 176.35 175.69 2cru s GLN 17 N 2.54 2.23 0.53 1.70 -0.21 -1.26 -5.12 119.66 120.07 2cru s GLN 17 Ca -0.05 -2.15 0.03 0.00 0.02 0.00 0.00 55.36 53.21 2cru s GLN 17 Cb -0.11 -1.88 0.04 0.00 1.00 0.00 0.00 33.01 32.05 2cru s GLN 17 CO -0.17 -0.49 0.73 0.00 -2.12 0.00 0.00 175.29 173.24 2cru s ALA 18 N -2.80 4.10 -0.26 6.09 0.00 -1.26 -5.12 121.76 122.51 2cru s ALA 18 Ca 0.24 -1.49 -0.27 0.00 0.00 0.00 0.00 51.96 50.44 2cru s ALA 18 Cb -0.00 -1.92 0.16 0.00 0.00 0.00 0.00 23.12 21.36 2cru s ALA 18 CO 0.14 -0.67 1.23 -1.59 0.00 0.00 0.00 175.76 174.87 2cru s LYS 19 N -4.67 0.28 0.08 0.00 -2.85 -1.26 -5.13 119.74 106.19 2cru s LYS 19 Ca 0.57 0.18 -0.36 0.00 -1.00 0.00 0.00 55.97 55.37 2cru s LYS 19 Cb -0.10 0.14 -0.19 0.00 -2.06 0.00 0.00 37.83 35.62 2cru s LYS 19 CO 0.37 -0.06 0.89 -2.39 0.10 0.00 0.00 175.35 174.25 2cru n HIS 20 N 1.22 0.29 -1.70 1.78 1.44 -1.26 -4.15 115.22 112.84 2cru n HIS 20 Ca -0.08 1.01 -0.00 0.00 -2.01 0.00 0.00 57.72 56.64 2cru n HIS 20 Cb 0.57 -2.06 -0.00 0.00 0.12 0.00 0.00 29.99 28.63 2cru n HIS 20 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2cru n GLY 21 N 1.70 -3.18 3.01 -1.39 0.00 -1.26 -5.11 105.19 98.97 2cru n GLY 21 Ca 0.19 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 2cru n GLY 21 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2cru s ASP 22 N -0.22 0.26 0.00 1.61 -4.77 -1.26 -5.02 116.67 107.27 2cru s ASP 22 Ca -0.02 -0.55 0.13 0.00 -3.30 0.00 0.00 52.55 48.81 2cru s ASP 22 Cb 0.00 0.13 0.78 0.00 -1.09 0.00 0.00 42.92 42.74 2cru s ASP 22 CO 0.13 -0.36 1.21 -0.81 0.70 0.00 0.00 175.17 176.04 2cru n PRO 23 N 1.33 0.48 -0.24 2.11 -0.04 -1.26 -4.10 135.00 133.29 2cru n PRO 23 Ca -0.22 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.32 2cru n PRO 23 Cb 0.56 -1.42 0.16 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.03 -1.00 0.37 0.55 0.00 -1.26 0.06 105.19 103.89 2cru n GLY 24 Ca 0.10 0.68 -0.06 0.00 0.00 0.00 0.00 46.02 46.74 2cru n GLY 24 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cru n ASP 25 N -4.98 -0.82 -0.33 1.61 5.68 -1.26 0.62 116.55 117.07 2cru n ASP 25 Ca 0.14 1.62 0.16 0.00 -0.50 0.00 0.00 54.79 56.20 2cru n ASP 25 Cb 0.45 -0.27 0.31 0.00 -1.14 0.00 0.00 41.12 40.46 2cru n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2cru n ALA 26 N -3.40 0.53 0.32 2.12 0.00 0.11 -0.59 120.51 119.60 2cru n ALA 26 Ca 0.05 1.03 -0.16 0.00 0.00 0.00 0.00 53.44 54.37 2cru n ALA 26 Cb 0.29 -0.77 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 2cru n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cru h ALA 27 N 1.93 -0.83 -0.78 0.00 0.00 0.07 -3.03 119.26 116.63 2cru h ALA 27 Ca 0.60 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.41 2cru h ALA 27 Cb 1.28 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 19.27 2cru h ALA 27 CO -0.90 -0.86 -0.49 0.37 0.00 0.00 0.00 179.25 177.38 2cru h GLN 28 N -1.04 -0.13 -1.09 0.00 4.15 -0.34 0.85 115.11 117.52 2cru h GLN 28 Ca -0.08 0.01 0.29 0.00 0.77 0.00 0.00 58.65 59.64 2cru h GLN 28 Cb 0.68 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.32 2cru h GLN 28 CO 0.14 -0.08 0.72 1.96 -1.93 0.00 0.00 178.83 179.63 2cru h GLN 29 N -0.13 0.27 0.10 1.69 1.08 -1.30 0.26 115.11 117.08 2cru h GLN 29 Ca 0.20 -0.02 -0.25 0.00 -1.45 0.00 0.00 58.65 57.13 2cru h GLN 29 Cb 0.53 -0.06 0.02 0.00 -0.05 0.00 0.00 27.48 27.92 2cru h GLN 29 CO -0.82 0.18 -1.04 1.49 -0.95 0.00 0.00 178.83 177.69 2cru h GLU 30 N 0.28 0.53 0.64 1.46 4.57 0.67 -3.30 114.58 119.44 2cru h GLU 30 Ca 0.60 -0.70 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 2cru h GLU 30 Cb 1.75 0.23 0.01 0.00 -0.16 0.00 0.00 28.75 30.57 2cru h GLU 30 CO -0.24 1.30 -0.31 0.00 -1.18 0.00 0.00 179.01 178.58 2cru h ALA 31 N 0.26 -1.00 -1.18 2.92 0.00 0.23 0.11 119.26 120.60 2cru h ALA 31 Ca -0.16 -0.19 0.34 0.00 0.00 0.00 0.00 54.91 54.90 2cru h ALA 31 Cb 1.75 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.82 2cru h ALA 31 CO 0.20 -0.94 1.22 1.57 0.00 0.00 0.00 179.25 181.30 2cru h LYS 32 N -1.06 0.00 0.08 0.00 2.10 -0.81 0.86 116.57 117.73 2cru h LYS 32 Ca -0.09 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.22 2cru h LYS 32 Cb 0.66 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.96 2cru h LYS 32 CO 0.15 0.00 -1.93 1.58 -2.00 0.00 0.00 179.45 177.24 2cru n HIS 33 N -3.41 0.98 0.05 0.07 -0.00 -1.07 -4.22 115.22 107.62 2cru n HIS 33 Ca 0.26 0.25 -0.15 0.00 0.46 0.00 0.00 57.72 58.55 2cru n HIS 33 Cb 1.58 -1.12 -0.09 0.00 -0.12 0.00 0.00 29.99 30.23 2cru n HIS 33 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2cru h ARG 34 N -0.23 -0.62 -1.32 1.57 2.47 0.34 0.74 114.38 117.33 2cru h ARG 34 Ca -0.45 0.04 0.38 0.00 -1.26 0.00 0.00 59.98 58.70 2cru h ARG 34 Cb 1.84 0.14 -0.06 0.00 -1.65 0.00 0.00 29.97 30.24 2cru h ARG 34 CO -0.03 -0.41 0.94 1.05 0.56 0.00 0.00 179.97 182.08 2cru h GLU 35 N -0.64 0.03 0.00 0.04 4.11 -1.60 1.37 114.58 117.88 2cru h GLU 35 Ca 0.03 -0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 2cru h GLU 35 Cb 0.71 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2cru h GLU 35 CO -0.36 0.02 -1.17 0.00 0.07 0.00 0.00 179.01 177.57 2cru n ALA 36 N -2.77 2.55 0.09 1.06 0.00 0.33 -3.26 120.51 118.50 2cru n ALA 36 Ca 0.29 -0.29 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 2cru n ALA 36 Cb 1.36 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.69 2cru n ALA 36 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2cru h GLU 37 N 0.00 0.25 0.07 0.00 4.39 0.79 -2.87 114.58 117.20 2cru h GLU 37 Ca -0.01 -0.33 -0.10 0.00 0.34 0.00 0.00 59.36 59.27 2cru h GLU 37 Cb 1.02 0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.79 2cru h GLU 37 CO 0.00 1.08 -0.42 0.00 -1.16 0.00 0.00 179.01 178.51 2cru h MET 38 N 0.11 0.17 -0.47 2.33 -0.00 -1.12 -2.43 114.93 113.52 2cru h MET 38 Ca -0.08 -0.27 0.04 0.00 -0.00 0.00 0.00 59.70 59.39 2cru h MET 38 Cb 1.70 0.10 -0.03 0.00 -0.00 0.00 0.00 31.60 33.37 2cru h MET 38 CO 0.16 1.11 0.31 0.07 -0.00 0.00 0.00 176.91 178.56 2cru h ARG 39 N -0.62 0.45 0.00 -0.10 0.11 -1.67 0.24 114.38 112.79 2cru h ARG 39 Ca -0.07 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.98 2cru h ARG 39 Cb 1.31 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.29 2cru h ARG 39 CO 0.08 0.30 -0.39 -0.91 0.10 0.00 0.00 179.97 179.15 2cru h ASN 40 N 0.46 0.00 0.00 0.08 2.35 -1.59 -3.06 115.58 113.83 2cru h ASN 40 Ca 0.20 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2cru h ASN 40 Cb 0.20 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 2cru h ASN 40 CO -0.05 0.01 -0.02 -1.28 -1.65 0.00 0.00 177.43 174.45 2cru h SER 41 N 0.00 0.00 0.18 5.81 0.87 -0.50 -1.87 113.55 118.04 2cru h SER 41 Ca 0.00 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 2cru h SER 41 Cb 0.93 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2cru h SER 41 CO 0.00 0.72 -0.11 0.40 -0.53 0.00 0.00 176.83 177.30 2cru h ILE 42 N -1.00 0.86 0.03 2.23 5.03 -1.26 -1.34 117.51 122.05 2cru h ILE 42 Ca -0.00 -0.43 -0.25 0.00 -0.12 0.00 0.00 64.86 64.06 2cru h ILE 42 Cb 0.43 1.25 -0.03 0.00 -3.03 0.00 0.00 36.82 35.44 2cru h ILE 42 CO -0.00 0.11 -1.23 -0.07 -0.68 0.00 0.00 178.15 176.28 2cru h LEU 43 N 0.00 0.10 -0.59 1.44 3.38 -1.65 -2.82 115.31 115.16 2cru h LEU 43 Ca -0.00 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 2cru h LEU 43 Cb 0.24 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2cru h LEU 43 CO 0.01 1.10 -0.48 0.00 0.09 0.00 0.00 178.44 179.16 2cru h ALA 44 N 0.89 0.85 0.08 1.53 0.00 -0.65 -0.75 119.26 121.21 2cru h ALA 44 Ca -0.11 -0.44 -0.28 0.00 0.00 0.00 0.00 54.91 54.08 2cru h ALA 44 Cb 1.87 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 2cru h ALA 44 CO 0.13 0.60 -1.42 -0.56 0.00 0.00 0.00 179.25 178.00 2cru h GLN 45 N 0.00 0.16 0.00 0.00 3.07 -1.34 -3.31 115.11 113.70 2cru h GLN 45 Ca -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 58.65 58.45 2cru h GLN 45 Cb 1.12 0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.78 2cru h GLN 45 CO 0.06 1.01 -0.47 -0.39 0.09 0.00 0.00 178.83 179.13 2cru h VAL 46 N 0.04 0.00 -3.39 1.86 -1.51 -1.49 -3.43 116.25 108.34 2cru h VAL 46 Ca -0.19 -0.58 -0.67 0.00 -1.23 0.00 0.00 66.70 64.03 2cru h VAL 46 Cb 1.96 1.28 -0.31 0.00 -2.13 0.00 0.00 31.29 32.09 2cru h VAL 46 CO 0.15 0.00 -0.76 -0.76 -1.23 0.00 0.00 177.57 174.97 2cru s LEU 47 N -4.58 2.90 0.71 4.19 1.43 -0.29 -0.24 118.68 122.81 2cru s LEU 47 Ca 0.07 -0.69 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 2cru s LEU 47 Cb 0.12 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.71 2cru s LEU 47 CO 0.70 -0.07 1.09 -0.62 0.23 0.00 0.00 176.35 177.67 2cru s ASP 48 N 1.36 5.40 0.46 2.29 2.15 -1.11 -4.59 116.67 122.64 2cru s ASP 48 Ca 0.03 1.19 0.35 0.00 0.43 0.00 0.00 52.55 54.54 2cru s ASP 48 Cb -0.15 -2.00 1.52 0.00 -0.30 0.00 0.00 42.92 41.99 2cru s ASP 48 CO -0.06 -1.38 1.60 0.06 -0.17 0.00 0.00 175.17 175.22 2cru h GLN 49 N -0.68 0.03 0.00 4.34 3.07 -1.91 0.55 115.11 120.50 2cru h GLN 49 Ca -0.45 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.29 2cru h GLN 49 Cb 1.25 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.80 2cru h GLN 49 CO 0.63 0.02 0.00 0.45 0.09 0.00 0.00 178.83 180.02 2cru n SER 50 N -4.58 0.00 -0.09 0.06 2.88 -1.26 -2.96 113.62 107.68 2cru n SER 50 Ca 0.40 0.88 -0.07 0.00 -1.33 0.00 0.00 58.87 58.75 2cru n SER 50 Cb 1.60 -0.49 -0.01 0.00 -0.75 0.00 0.00 64.21 64.56 2cru n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2cru h ALA 51 N -2.00 -0.05 -0.84 -1.46 0.00 -1.42 -1.71 119.26 111.78 2cru h ALA 51 Ca 0.00 0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.18 2cru h ALA 51 Cb 0.00 0.53 -0.16 0.00 0.00 0.00 0.00 17.79 18.16 2cru h ALA 51 CO 0.00 -0.64 -0.23 0.54 0.00 0.00 0.00 179.25 178.93 2cru n ARG 52 N -5.39 -0.09 0.20 0.00 5.12 0.07 -0.09 116.66 116.47 2cru n ARG 52 Ca 0.01 1.31 -0.14 0.00 -1.93 0.00 0.00 57.85 57.10 2cru n ARG 52 Cb 0.30 -1.96 -0.08 0.00 -1.16 0.00 0.00 32.46 29.56 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 1.62 -0.49 -0.86 7.54 0.00 -1.21 -1.77 119.26 124.09 2cru h ALA 53 Ca 0.39 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.33 2cru h ALA 53 Cb 0.60 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.46 2cru h ALA 53 CO -0.86 -0.66 0.35 -0.09 0.00 0.00 0.00 179.25 177.98 2cru h ARG 54 N -0.70 0.38 0.67 0.00 9.65 -0.10 -1.67 114.38 122.62 2cru h ARG 54 Ca -0.05 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.77 2cru h ARG 54 Cb 0.49 -0.09 0.01 0.00 -1.39 0.00 0.00 29.97 28.99 2cru h ARG 54 CO 0.08 0.25 -0.32 1.25 2.80 0.00 0.00 179.97 184.03 2cru h LEU 55 N 0.40 -0.76 -0.99 3.80 5.85 -0.53 -3.00 115.31 120.08 2cru h LEU 55 Ca 0.52 0.03 0.30 0.00 0.84 0.00 0.00 57.88 59.57 2cru h LEU 55 Cb 0.94 0.20 -0.18 0.00 0.37 0.00 0.00 40.66 41.99 2cru h LEU 55 CO -0.51 -0.45 0.14 -1.28 -0.34 0.00 0.00 178.44 176.00 2cru h SER 56 N -1.08 -0.30 -0.49 1.25 0.87 -0.78 0.75 113.55 113.76 2cru h SER 56 Ca -0.09 0.28 0.06 0.00 -1.23 0.00 0.00 61.79 60.81 2cru h SER 56 Cb 0.69 0.44 -0.06 0.00 -0.44 0.00 0.00 62.40 63.03 2cru h SER 56 CO 0.15 -0.37 0.18 -1.13 -0.53 0.00 0.00 176.83 175.13 2cru h ASN 57 N 0.01 0.19 -0.47 6.23 -1.24 -1.26 -0.63 115.58 118.40 2cru h ASN 57 Ca 0.65 0.06 0.09 0.00 0.71 0.00 0.00 56.30 57.81 2cru h ASN 57 Cb 1.44 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 40.51 2cru h ASN 57 CO -0.89 0.14 0.32 0.25 -1.29 0.00 0.00 177.43 175.96 2cru h LEU 58 N 0.36 0.20 -2.38 0.34 5.85 0.66 0.38 115.31 120.72 2cru h LEU 58 Ca 0.23 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.98 2cru h LEU 58 Cb 0.24 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2cru h LEU 58 CO -0.23 0.12 0.18 0.00 -0.34 0.00 0.00 178.44 178.17 2cru h ALA 59 N 1.76 1.45 -1.32 1.25 0.00 -0.72 -0.79 119.26 120.89 2cru h ALA 59 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2cru h ALA 59 Cb 0.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2cru h ALA 59 CO -0.04 -0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.26 2cru n LEU 60 N -3.35 1.16 -0.29 0.00 4.77 0.12 -3.33 117.00 116.08 2cru n LEU 60 Ca -0.01 0.25 0.06 0.00 -0.03 0.00 0.00 56.01 56.28 2cru n LEU 60 Cb 0.27 -0.28 0.17 0.00 -2.33 0.00 0.00 43.42 41.25 2cru n LEU 60 CO 0.21 -0.28 0.77 1.62 -1.33 0.00 0.00 177.39 178.39 2cru h VAL 61 N 0.00 0.21 -0.96 4.08 3.04 -1.59 -3.38 116.25 117.65 2cru h VAL 61 Ca 0.00 -0.02 0.07 0.00 -1.01 0.00 0.00 66.70 65.74 2cru h VAL 61 Cb 0.00 0.16 -0.21 0.00 -2.01 0.00 0.00 31.29 29.23 2cru h VAL 61 CO 0.00 0.01 -0.30 -1.59 -1.01 0.00 0.00 177.57 174.68 2cru s LYS 62 N -6.14 0.54 0.12 4.17 -2.85 -0.31 -5.04 119.74 110.23 2cru s LYS 62 Ca -0.14 0.75 -0.13 0.00 -1.00 0.00 0.00 55.97 55.45 2cru s LYS 62 Cb 0.24 0.39 -0.06 0.00 -2.06 0.00 0.00 37.83 36.34 2cru s LYS 62 CO 0.76 -0.80 1.45 -1.00 0.10 0.00 0.00 175.35 175.86 2cru h PRO 63 N 7.98 0.82 -0.87 1.78 0.13 -1.57 -3.28 132.00 136.99 2cru h PRO 63 Ca -0.12 -0.43 0.14 0.00 -0.87 0.00 0.00 66.00 64.72 2cru h PRO 63 Cb 1.17 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 2cru h PRO 63 CO 0.19 1.07 -0.32 -1.91 -0.23 0.00 0.00 178.00 176.79 2cru n GLU 64 N -4.17 -0.19 -0.30 0.86 2.13 -1.26 0.17 120.64 117.88 2cru n GLU 64 Ca -0.03 1.35 -0.03 0.00 0.66 0.00 0.00 57.16 59.11 2cru n GLU 64 Cb 0.51 -2.00 0.12 0.00 0.27 0.00 0.00 31.44 30.34 2cru n GLU 64 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2cru h LYS 65 N 0.00 1.19 -0.55 5.31 1.63 -1.93 -2.64 116.57 119.58 2cru h LYS 65 Ca 0.32 -0.13 -0.00 0.00 -0.85 0.00 0.00 60.65 59.99 2cru h LYS 65 Cb 0.54 -0.24 -0.03 0.00 -0.60 0.00 0.00 32.23 31.90 2cru h LYS 65 CO -0.87 0.86 0.33 1.15 -3.45 0.00 0.00 179.45 177.47 2cru h THR 66 N 1.20 1.17 -0.04 1.00 2.02 0.16 -2.60 112.91 115.81 2cru h THR 66 Ca 0.30 -0.39 0.03 0.00 0.77 0.00 0.00 66.41 67.13 2cru h THR 66 Cb 0.01 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 2cru h THR 66 CO -0.05 0.17 -0.18 0.11 0.37 0.00 0.00 175.52 175.95 2cru h LYS 67 N 0.74 -0.26 -0.54 6.66 1.57 -0.48 -0.79 116.57 123.47 2cru h LYS 67 Ca 0.20 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.09 2cru h LYS 67 Cb -0.00 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.29 2cru h LYS 67 CO -0.04 -0.17 0.08 0.00 -0.57 0.00 0.00 179.45 178.75 2cru h ALA 68 N 0.69 0.59 0.72 3.86 0.00 -1.35 -1.56 119.26 122.21 2cru h ALA 68 Ca 0.07 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2cru h ALA 68 Cb 0.36 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2cru h ALA 68 CO -0.20 -0.33 -0.41 0.28 0.00 0.00 0.00 179.25 178.59 2cru h VAL 69 N 0.21 0.18 -1.03 0.00 2.07 -1.05 0.33 116.25 116.95 2cru h VAL 69 Ca 0.28 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.08 2cru h VAL 69 Cb 0.40 0.18 -0.13 0.00 -1.52 0.00 0.00 31.29 30.22 2cru h VAL 69 CO -0.39 0.00 0.62 -0.33 0.02 0.00 0.00 177.57 177.49 2cru h GLU 70 N -1.05 0.42 0.00 1.57 5.08 -0.81 0.94 114.58 120.73 2cru h GLU 70 Ca -0.09 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.12 2cru h GLU 70 Cb 0.83 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2cru h GLU 70 CO 0.12 0.28 -0.57 -0.97 -1.00 0.00 0.00 179.01 176.87 2cru h ASN 71 N 0.43 0.00 -0.15 1.42 -1.24 -0.88 -2.77 115.58 112.39 2cru h ASN 71 Ca 0.68 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 57.53 2cru h ASN 71 Cb 1.51 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.57 2cru h ASN 71 CO -0.48 0.57 -0.50 0.22 -1.29 0.00 0.00 177.43 175.96 2cru h TYR 72 N 0.00 0.79 -0.51 0.67 3.20 0.30 -2.78 116.97 118.64 2cru h TYR 72 Ca -0.01 -0.32 -0.10 0.00 3.14 0.00 0.00 58.73 61.44 2cru h TYR 72 Cb 1.22 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 2cru h TYR 72 CO 0.00 1.10 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.49 2cru h LEU 73 N 0.26 0.93 -0.17 2.82 3.38 -1.02 -1.97 115.31 119.53 2cru h LEU 73 Ca -0.02 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.63 2cru h LEU 73 Cb 1.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 2cru h LEU 73 CO 0.11 1.05 0.07 0.40 0.09 0.00 0.00 178.44 180.15 2cru h ILE 74 N 0.80 0.97 -0.39 1.22 2.04 -1.53 0.13 117.51 120.76 2cru h ILE 74 Ca 0.14 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 2cru h ILE 74 Cb 0.60 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 2cru h ILE 74 CO 0.04 0.03 0.03 0.06 0.00 0.00 0.00 178.15 178.30 2cru h GLN 75 N 0.15 0.60 -0.37 2.37 3.07 -1.44 -1.95 115.11 117.55 2cru h GLN 75 Ca 0.07 -0.13 -0.16 0.00 0.09 0.00 0.00 58.65 58.52 2cru h GLN 75 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 27.50 2cru h GLN 75 CO -0.07 0.60 -0.41 0.52 0.09 0.00 0.00 178.83 179.57 2cru h MET 76 N 0.58 0.94 0.75 0.06 2.86 -0.80 -2.78 114.93 116.53 2cru h MET 76 Ca 0.12 -0.51 -0.04 0.00 -2.06 0.00 0.00 59.70 57.22 2cru h MET 76 Cb 0.33 0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.02 2cru h MET 76 CO 0.01 1.16 -0.36 0.00 1.06 0.00 0.00 176.91 178.78 2cru h ALA 77 N 0.76 -1.01 -0.75 6.32 0.00 -0.43 -0.84 119.26 123.31 2cru h ALA 77 Ca 0.06 -0.23 0.17 0.00 0.00 0.00 0.00 54.91 54.91 2cru h ALA 77 Cb 1.01 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 19.07 2cru h ALA 77 CO 0.10 -0.97 0.10 0.00 0.00 0.00 0.00 179.25 178.48 2cru h ARG 78 N -1.21 0.17 -0.21 0.00 3.08 -1.45 -0.40 114.38 114.37 2cru h ARG 78 Ca -0.10 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 2cru h ARG 78 Cb 0.79 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 2cru h ARG 78 CO 0.17 0.11 0.11 1.88 -1.07 0.00 0.00 179.97 181.17 2cru h TYR 79 N 0.18 0.30 0.00 3.04 -1.99 -1.45 -3.48 116.97 113.57 2cru h TYR 79 Ca 0.42 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.14 2cru h TYR 79 Cb 0.75 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 39.39 2cru h TYR 79 CO -0.34 0.29 0.00 0.41 -0.00 0.00 0.00 178.16 178.53 2cru n GLY 80 N -0.87 0.94 0.08 3.88 0.00 -0.16 -5.04 105.19 104.02 2cru n GLY 80 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.66 -2.46 1.61 1.13 -0.76 -4.95 117.38 112.62 2cru n GLN 81 Ca 0.00 0.06 -0.34 0.00 -1.94 0.00 0.00 57.00 54.77 2cru n GLN 81 Cb 0.00 -1.62 -0.02 0.00 0.11 0.00 0.00 30.24 28.71 2cru n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2cru s LEU 82 N -5.50 3.82 -0.03 1.08 1.02 -1.26 -4.99 118.68 112.82 2cru s LEU 82 Ca -0.08 2.00 -0.02 0.00 0.02 0.00 0.00 54.13 56.06 2cru s LEU 82 Cb 0.08 -4.57 -0.01 0.00 0.02 0.00 0.00 46.19 41.71 2cru s LEU 82 CO 0.84 -0.91 -0.04 -1.20 0.02 0.00 0.00 176.35 175.05 2cru n SER 83 N -1.07 0.27 -3.97 2.29 7.64 -1.26 -5.06 113.62 112.46 2cru n SER 83 Ca 0.10 0.04 -0.24 0.00 1.01 0.00 0.00 58.87 59.78 2cru n SER 83 Cb 0.52 -0.10 -0.08 0.00 -1.01 0.00 0.00 64.21 63.54 2cru n SER 83 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2cru s GLU 84 N -2.06 1.89 0.09 1.43 0.41 -1.26 -5.11 118.70 114.09 2cru s GLU 84 Ca -0.05 -2.15 -0.31 0.00 -0.41 0.00 0.00 54.97 52.06 2cru s GLU 84 Cb 0.02 -0.42 -0.08 0.00 -1.78 0.00 0.00 34.13 31.87 2cru s GLU 84 CO 0.06 -0.52 1.53 0.15 -0.49 0.00 0.00 175.26 175.99 2cru s LYS 85 N -3.66 4.24 0.05 1.61 1.02 -1.26 -4.94 119.74 116.79 2cru s LYS 85 Ca 0.27 2.22 -0.31 0.00 0.02 0.00 0.00 55.97 58.17 2cru s LYS 85 Cb 0.02 -3.41 -0.06 0.00 -0.52 0.00 0.00 37.83 33.86 2cru s LYS 85 CO 0.17 -0.61 1.30 0.08 -0.92 0.00 0.00 175.35 175.37 2cru s VAL 86 N 1.91 3.79 0.33 3.17 1.01 0.67 -4.81 120.40 126.46 2cru s VAL 86 Ca 0.69 1.25 0.06 0.00 0.00 0.00 0.00 61.98 63.98 2cru s VAL 86 Cb -0.39 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 2cru s VAL 86 CO 0.31 0.06 0.47 -0.94 0.00 0.00 0.00 175.10 175.00 2cru s SER 87 N 1.33 6.02 0.10 3.32 1.04 -1.26 -2.73 113.70 121.52 2cru s SER 87 Ca 0.61 -0.10 -0.20 0.00 0.48 0.00 0.00 55.95 56.74 2cru s SER 87 Cb -0.31 -1.36 -0.04 0.00 0.10 0.00 0.00 66.02 64.40 2cru s SER 87 CO 0.28 -0.40 1.08 1.21 0.98 0.00 0.00 173.24 176.39 2cru n GLU 88 N -1.64 -0.28 -0.19 4.02 2.13 -1.26 0.78 120.64 124.20 2cru n GLU 88 Ca -0.01 1.06 -0.02 0.00 0.66 0.00 0.00 57.16 58.84 2cru n GLU 88 Cb 0.58 -1.56 0.05 0.00 0.27 0.00 0.00 31.44 30.78 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 -0.03 0.07 5.31 4.20 -1.99 -1.68 115.11 120.98 2cru h GLN 89 Ca 0.10 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.82 2cru h GLN 89 Cb 0.26 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 2cru h GLN 89 CO -0.60 -0.02 -0.11 0.78 -0.67 0.00 0.00 178.83 178.21 2cru h GLY 90 N -0.04 -0.20 -0.17 3.46 0.00 0.00 -3.02 103.07 103.11 2cru h GLY 90 Ca 0.27 0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.75 2cru h GLY 90 CO -0.61 -0.12 -0.27 -2.00 0.00 0.00 0.00 176.54 173.55 2cru h LEU 91 N -0.23 -0.90 -0.92 3.11 5.85 0.07 -0.29 115.31 122.01 2cru h LEU 91 Ca 0.02 0.12 0.28 0.00 0.84 0.00 0.00 57.88 59.14 2cru h LEU 91 Cb 0.24 0.36 -0.17 0.00 0.37 0.00 0.00 40.66 41.47 2cru h LEU 91 CO -0.06 -0.21 0.13 -0.38 -0.34 0.00 0.00 178.44 177.58 2cru n ILE 92 N -4.00 -0.39 -0.17 4.05 5.41 -0.88 0.23 119.36 123.62 2cru n ILE 92 Ca -0.02 1.99 -0.03 0.00 1.00 0.00 0.00 62.75 65.69 2cru n ILE 92 Cb 0.17 -2.98 0.17 0.00 -0.71 0.00 0.00 39.64 36.30 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 0.92 -0.52 0.38 5.08 -0.96 -2.60 114.58 116.87 2cru h GLU 93 Ca 0.61 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.73 2cru h GLU 93 Cb 1.36 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2cru h GLU 93 CO -0.83 0.78 0.01 0.82 -1.00 0.00 0.00 179.01 178.79 2cru h ILE 94 N 0.89 1.25 -0.05 3.13 2.04 0.40 -2.24 117.51 122.93 2cru h ILE 94 Ca 0.20 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 65.04 2cru h ILE 94 Cb 0.23 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2cru h ILE 94 CO -0.01 0.37 0.18 -0.07 0.00 0.00 0.00 178.15 178.61 2cru h LEU 95 N 0.82 0.00 0.00 1.44 3.38 -0.83 0.49 115.31 120.61 2cru h LEU 95 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2cru h LEU 95 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2cru h LEU 95 CO 0.02 0.00 -0.88 0.29 0.09 0.00 0.00 178.44 177.96 2cru n LYS 96 N -3.20 0.08 -0.05 1.13 5.02 -0.86 -4.21 118.16 116.07 2cru n LYS 96 Ca -0.01 -0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.12 2cru n LYS 96 Cb 0.25 -1.52 -0.14 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.62 0.69 0.30 1.97 5.02 0.15 -4.09 118.16 120.59 2cru n LYS 97 Ca 0.04 0.20 0.20 0.00 -2.02 0.00 0.00 58.31 56.73 2cru n LYS 97 Cb 0.36 -1.66 1.03 0.00 -0.02 0.00 0.00 35.03 34.74 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 0.02 0.00 -0.78 -0.18 3.04 -1.20 -2.39 116.25 114.77 2cru h VAL 98 Ca -0.44 -0.13 0.08 0.00 -1.01 0.00 0.00 66.70 65.21 2cru h VAL 98 Cb 2.05 1.07 -0.05 0.00 -2.01 0.00 0.00 31.29 32.35 2cru h VAL 98 CO 0.04 0.00 0.51 -1.28 -1.01 0.00 0.00 177.57 175.83 2cru h SER 99 N 0.00 0.70 -0.97 3.17 0.87 -1.74 -1.31 113.55 114.26 2cru h SER 99 Ca 0.00 0.01 0.14 0.00 -1.23 0.00 0.00 61.79 60.71 2cru h SER 99 Cb 0.13 -0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 61.87 2cru h SER 99 CO 0.00 0.43 0.61 -0.61 -0.53 0.00 0.00 176.83 176.74 2cru h GLN 100 N 0.78 0.83 0.19 2.24 -0.00 -1.69 -2.20 115.11 115.26 2cru h GLN 100 Ca 0.35 -0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.96 2cru h GLN 100 Cb 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 27.48 27.60 2cru h GLN 100 CO -0.13 0.55 -0.29 0.37 0.00 0.00 0.00 178.83 179.34 2cru h GLN 101 N 0.85 -0.53 -6.60 1.69 5.75 -1.43 -3.45 115.11 111.39 2cru h GLN 101 Ca 0.50 0.04 -0.53 0.00 -0.15 0.00 0.00 58.65 58.50 2cru h GLN 101 Cb 0.65 0.12 -0.33 0.00 1.07 0.00 0.00 27.48 28.99 2cru h GLN 101 CO -0.27 -0.35 -0.77 -2.37 -2.65 0.00 0.00 178.83 172.43 2cru n THR 102 N -5.40 0.00 -3.08 2.39 5.66 -0.83 0.11 114.28 113.13 2cru n THR 102 Ca -0.08 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.79 2cru n THR 102 Cb 0.31 -0.42 0.07 0.00 -1.55 0.00 0.00 70.33 68.73 2cru n THR 102 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2cru n GLU 103 N -3.56 -4.79 -0.10 1.09 4.71 -1.26 -4.94 120.64 111.78 2cru n GLU 103 Ca 0.10 0.65 -0.10 0.00 -0.01 0.00 0.00 57.16 57.80 2cru n GLU 103 Cb 0.40 -5.07 -0.03 0.00 -1.01 0.00 0.00 31.44 25.73 2cru n GLU 103 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2cru h LYS 104 N -1.40 0.50 -7.06 3.49 1.63 0.45 -3.46 116.57 110.72 2cru h LYS 104 Ca -0.45 -0.13 -0.61 0.00 -0.85 0.00 0.00 60.65 58.61 2cru h LYS 104 Cb 1.26 -0.06 -0.37 0.00 -0.60 0.00 0.00 32.23 32.46 2cru h LYS 104 CO 0.38 0.60 -0.88 0.25 -3.45 0.00 0.00 179.45 176.34 2cru n THR 105 N -4.63 -0.06 -1.12 1.00 -2.24 -1.26 -4.71 114.28 101.26 2cru n THR 105 Ca -0.02 -0.03 -0.38 0.00 -2.27 0.00 0.00 64.05 61.35 2cru n THR 105 Cb 0.21 -0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 2cru n THR 105 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cru n THR 106 N -3.97 1.59 -2.13 4.28 -2.24 -1.26 -4.73 114.28 105.82 2cru n THR 106 Ca 0.09 -0.40 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 2cru n THR 106 Cb 0.45 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 2cru n THR 106 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2cru s THR 107 N -0.79 3.56 0.21 4.28 -4.23 -1.26 -4.95 115.64 112.45 2cru s THR 107 Ca 0.51 0.51 -0.02 0.00 -1.18 0.00 0.00 61.69 61.52 2cru s THR 107 Cb -0.74 -3.93 -0.04 0.00 1.34 0.00 0.00 72.50 69.13 2cru s THR 107 CO 0.45 -0.71 0.16 0.68 -0.54 0.00 0.00 174.62 174.65 2cru s VAL 108 N 7.12 0.00 -0.29 2.29 -7.23 -1.26 -5.17 120.40 115.86 2cru s VAL 108 Ca 0.69 -1.96 -0.22 0.00 -1.81 0.00 0.00 61.98 58.68 2cru s VAL 108 Cb -0.17 -2.48 0.15 0.00 0.56 0.00 0.00 36.38 34.45 2cru s VAL 108 CO 0.29 0.00 1.14 -0.75 -0.31 0.00 0.00 175.10 175.47 2cru s LYS 109 N -4.13 0.33 -0.08 4.82 2.36 -1.26 -5.17 119.74 116.62 2cru s LYS 109 Ca 0.38 0.44 0.03 0.00 -2.55 0.00 0.00 55.97 54.26 2cru s LYS 109 Cb 0.06 0.13 -0.02 0.00 -1.05 0.00 0.00 37.83 36.96 2cru s LYS 109 CO 0.12 -0.05 -0.15 -0.06 1.55 0.00 0.00 175.35 176.76 2cru s PHE 110 N 0.50 2.70 -0.16 4.03 0.08 -1.26 -5.12 117.98 118.75 2cru s PHE 110 Ca 0.01 -0.38 -0.08 0.00 0.12 0.00 0.00 56.93 56.60 2cru s PHE 110 Cb -0.04 -1.69 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 2cru s PHE 110 CO -0.11 0.01 0.11 1.21 -0.10 0.00 0.00 175.22 176.34 2cru s ASN 111 N -0.32 6.08 -0.29 1.36 2.47 -1.26 -5.08 114.94 117.91 2cru s ASN 111 Ca 0.03 0.27 -0.20 0.00 0.42 0.00 0.00 52.86 53.38 2cru s ASN 111 Cb -0.13 -2.01 0.13 0.00 -1.45 0.00 0.00 41.25 37.79 2cru s ASN 111 CO 0.02 0.27 0.98 -0.60 -3.72 0.00 0.00 177.10 174.05 2cru s ARG 112 N -0.20 0.46 0.31 0.43 6.06 -1.26 -5.18 118.95 119.57 2cru s ARG 112 Ca 0.10 0.68 0.06 0.00 -2.50 0.00 0.00 55.73 54.07 2cru s ARG 112 Cb -0.12 0.16 -0.06 0.00 0.06 0.00 0.00 34.95 34.99 2cru s ARG 112 CO 0.01 -0.08 -0.03 -1.12 -2.50 0.00 0.00 175.30 171.58 2cru s SER 113 N 0.85 2.90 0.11 -2.12 0.01 -1.26 -5.17 113.70 109.02 2cru s SER 113 Ca -0.03 -1.25 0.04 0.00 1.31 0.00 0.00 55.95 56.01 2cru s SER 113 Cb -0.04 -0.19 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 2cru s SER 113 CO -0.11 -0.40 -0.10 -0.83 0.41 0.00 0.00 173.24 172.22 2cru s GLY 114 N -3.50 0.88 0.00 3.44 0.00 -1.26 -5.07 107.32 101.82 2cru s GLY 114 Ca 0.32 -1.27 -0.24 0.00 0.00 0.00 0.00 44.72 43.53 2cru s GLY 114 CO 0.14 -1.36 1.30 -0.56 0.00 0.00 0.00 173.10 172.62 2cru h PRO 115 N 3.31 0.14 -6.14 2.90 0.13 -2.10 -3.45 132.00 126.79 2cru h PRO 115 Ca -0.37 -0.08 -0.64 0.00 -0.87 0.00 0.00 66.00 64.05 2cru h PRO 115 Cb 1.19 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.45 2cru h PRO 115 CO 0.57 0.59 -0.52 0.43 -0.23 0.00 0.00 178.00 178.84 2cru n SER 116 N -4.74 -1.23 -4.60 1.44 7.64 -1.26 -4.98 113.62 105.90 2cru n SER 116 Ca -0.07 1.01 -0.23 0.00 1.01 0.00 0.00 58.87 60.58 2cru n SER 116 Cb 0.29 -1.01 -0.08 0.00 -1.01 0.00 0.00 64.21 62.40 2cru n SER 116 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cru s SER 117 N -0.93 4.24 0.00 6.43 0.15 -1.26 -5.23 113.70 117.10 2cru s SER 117 Ca 0.62 -0.81 0.24 0.00 0.70 0.00 0.00 55.95 56.71 2cru s SER 117 Cb -0.75 -0.65 0.28 0.00 -1.71 0.00 0.00 66.02 63.19 2cru s SER 117 CO 0.59 -0.03 1.31 0.61 1.20 0.00 0.00 173.24 176.91