#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cru n SER 2 N 0.00 -2.10 -4.29 1.61 7.64 -1.26 -4.94 113.62 110.29 2cru n SER 2 Ca 0.00 -1.07 -0.30 0.00 1.01 0.00 0.00 58.87 58.51 2cru n SER 2 Cb 0.00 -2.51 -0.16 0.00 -1.01 0.00 0.00 64.21 60.53 2cru n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2cru s SER 3 N -3.60 2.87 0.34 6.43 0.15 -1.26 -5.14 113.70 113.50 2cru s SER 3 Ca 0.55 -0.47 0.07 0.00 0.70 0.00 0.00 55.95 56.80 2cru s SER 3 Cb -0.30 -0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 63.67 2cru s SER 3 CO 0.94 0.29 0.32 -0.83 1.20 0.00 0.00 173.24 175.15 2cru s GLY 4 N -0.70 2.28 0.36 9.45 0.00 -1.26 -5.18 107.32 112.26 2cru s GLY 4 Ca 0.10 -2.03 -0.17 0.00 0.00 0.00 0.00 44.72 42.62 2cru s GLY 4 CO -0.00 -1.41 0.76 -0.45 0.00 0.00 0.00 173.10 172.00 2cru s SER 5 N -3.37 -0.04 0.23 1.64 0.15 -1.26 -5.19 113.70 105.86 2cru s SER 5 Ca 0.40 -1.02 -0.22 0.00 0.70 0.00 0.00 55.95 55.80 2cru s SER 5 Cb 0.02 0.82 0.04 0.00 -1.71 0.00 0.00 66.02 65.18 2cru s SER 5 CO 0.28 -1.60 0.79 -0.94 1.20 0.00 0.00 173.24 172.96 2cru s SER 6 N -3.04 -0.25 0.00 5.45 1.04 -1.26 -5.19 113.70 110.45 2cru s SER 6 Ca 0.15 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2cru s SER 6 Cb -0.05 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2cru s SER 6 CO 0.11 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.74 2cru n GLY 7 N -0.46 2.62 3.24 7.32 0.00 -1.26 -5.16 105.19 111.50 2cru n GLY 7 Ca -0.05 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.72 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 1.19 0.02 0.99 1.43 -1.26 -5.18 118.68 115.87 2cru s LEU 8 Ca 0.00 -1.42 -0.00 0.00 -1.03 0.00 0.00 54.13 51.68 2cru s LEU 8 Cb 0.00 0.49 -0.02 0.00 0.03 0.00 0.00 46.19 46.69 2cru s LEU 8 CO 0.00 -0.89 -0.03 -0.60 0.23 0.00 0.00 176.35 175.06 2cru s ARG 9 N -4.04 0.33 0.35 1.70 3.52 -1.26 -5.17 118.95 114.38 2cru s ARG 9 Ca 0.38 -0.64 0.03 0.00 -0.13 0.00 0.00 55.73 55.37 2cru s ARG 9 Cb 0.06 0.11 -0.05 0.00 -1.56 0.00 0.00 34.95 33.51 2cru s ARG 9 CO 0.14 -0.05 0.08 1.03 -0.81 0.00 0.00 175.30 175.69 2cru s ARG 10 N -1.58 1.73 0.37 5.12 1.81 -1.26 -5.17 118.95 119.97 2cru s ARG 10 Ca -0.15 -2.00 -0.04 0.00 -1.72 0.00 0.00 55.73 51.82 2cru s ARG 10 Cb -0.09 -0.75 0.02 0.00 -0.45 0.00 0.00 34.95 33.68 2cru s ARG 10 CO -0.01 -0.30 0.56 1.14 -0.68 0.00 0.00 175.30 176.01 2cru s GLN 11 N -3.85 2.06 -0.04 3.54 0.00 -1.26 -5.18 119.66 114.93 2cru s GLN 11 Ca 0.32 -1.76 -0.09 0.00 -0.00 0.00 0.00 55.36 53.83 2cru s GLN 11 Cb 0.06 0.49 0.02 0.00 0.00 0.00 0.00 33.01 33.58 2cru s GLN 11 CO 0.15 -0.88 0.21 0.50 0.00 0.00 0.00 175.29 175.27 2cru s ARG 12 N -2.71 0.41 0.02 9.60 6.06 -1.26 -5.16 118.95 125.90 2cru s ARG 12 Ca 0.28 -0.01 0.05 0.00 -2.50 0.00 0.00 55.73 53.55 2cru s ARG 12 Cb -0.02 0.18 -0.03 0.00 0.06 0.00 0.00 34.95 35.14 2cru s ARG 12 CO 0.20 -0.09 -0.12 -1.17 -2.50 0.00 0.00 175.30 171.63 2cru s LEU 13 N -0.62 2.90 1.08 -0.88 2.96 -1.26 -5.11 118.68 117.74 2cru s LEU 13 Ca -0.07 -0.28 -0.20 0.00 -0.22 0.00 0.00 54.13 53.36 2cru s LEU 13 Cb -0.04 -1.68 0.05 0.00 0.50 0.00 0.00 46.19 45.02 2cru s LEU 13 CO 0.01 0.27 -0.30 0.00 -1.32 0.00 0.00 176.35 175.01 2cru n ALA 14 N 1.54 -4.00 -2.69 5.97 0.00 -1.26 -5.03 120.51 115.05 2cru n ALA 14 Ca -0.16 -1.28 -0.31 0.00 0.00 0.00 0.00 53.44 51.69 2cru n ALA 14 Cb 0.52 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 2cru n ALA 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2cru s GLU 15 N -3.12 2.13 0.86 0.00 -1.05 -1.26 -5.12 118.70 111.14 2cru s GLU 15 Ca 0.48 -2.27 -0.14 0.00 -0.15 0.00 0.00 54.97 52.90 2cru s GLU 15 Cb -0.06 -1.62 0.03 0.00 -0.44 0.00 0.00 34.13 32.04 2cru s GLU 15 CO 0.61 -0.27 0.58 1.28 0.95 0.00 0.00 175.26 178.41 2cru n LEU 16 N -1.20 0.89 -4.69 1.83 7.99 -1.26 -5.02 117.00 115.53 2cru n LEU 16 Ca -0.13 0.45 -0.24 0.00 -0.01 0.00 0.00 56.01 56.07 2cru n LEU 16 Cb 0.67 -1.26 -0.08 0.00 -0.11 0.00 0.00 43.42 42.64 2cru n LEU 16 CO 0.42 -3.15 -0.23 0.00 -1.51 0.00 0.00 177.39 172.92 2cru s GLN 17 N -3.49 2.19 0.01 3.23 0.00 -1.26 -5.10 119.66 115.24 2cru s GLN 17 Ca 0.62 -1.76 -0.30 0.00 -0.00 0.00 0.00 55.36 53.92 2cru s GLN 17 Cb -0.26 -1.99 -0.04 0.00 0.00 0.00 0.00 33.01 30.72 2cru s GLN 17 CO 0.62 0.03 1.04 0.00 0.00 0.00 0.00 175.29 176.98 2cru s ALA 18 N -2.54 3.23 -0.82 2.60 0.00 -1.26 -4.98 121.76 118.00 2cru s ALA 18 Ca 0.38 0.62 -0.26 0.00 0.00 0.00 0.00 51.96 52.70 2cru s ALA 18 Cb 0.01 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.79 2cru s ALA 18 CO 0.21 -0.30 1.34 0.21 0.00 0.00 0.00 175.76 177.22 2cru s LYS 19 N 1.06 3.29 -1.48 0.00 2.20 -1.26 -3.96 119.74 119.59 2cru s LYS 19 Ca 0.54 -0.48 -0.12 0.00 -0.36 0.00 0.00 55.97 55.55 2cru s LYS 19 Cb -0.23 -4.53 0.07 0.00 -1.51 0.00 0.00 37.83 31.64 2cru s LYS 19 CO 0.28 -2.18 0.82 1.58 -0.36 0.00 0.00 175.35 175.49 2cru n HIS 20 N 9.32 -2.14 -1.90 4.03 -0.00 -1.26 -4.95 115.22 118.33 2cru n HIS 20 Ca 0.12 0.75 -0.29 0.00 -0.00 0.00 0.00 57.72 58.30 2cru n HIS 20 Cb 0.50 -3.78 0.07 0.00 -0.00 0.00 0.00 29.99 26.78 2cru n HIS 20 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2cru s GLY 21 N -3.09 1.61 0.40 1.57 0.00 -1.25 -5.01 107.32 101.54 2cru s GLY 21 Ca 0.56 -0.54 -0.26 0.00 0.00 0.00 0.00 44.72 44.49 2cru s GLY 21 CO 0.70 -0.09 1.31 0.51 0.00 0.00 0.00 173.10 175.52 2cru s ASP 22 N -4.50 6.34 -0.02 1.64 -4.77 -1.26 -4.96 116.67 109.14 2cru s ASP 22 Ca 0.60 2.68 -0.25 0.00 -3.30 0.00 0.00 52.55 52.28 2cru s ASP 22 Cb -0.11 -2.64 -0.20 0.00 -1.09 0.00 0.00 42.92 38.88 2cru s ASP 22 CO 0.50 -0.83 1.22 1.55 0.70 0.00 0.00 175.17 178.31 2cru h PRO 23 N 2.74 -0.06 0.00 2.11 0.13 -2.01 -3.49 132.00 131.43 2cru h PRO 23 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2cru h PRO 23 Cb 1.24 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2cru h PRO 23 CO 0.63 0.41 0.00 0.41 -0.23 0.00 0.00 178.00 179.22 2cru n GLY 24 N 0.21 1.40 0.31 1.56 0.00 -1.26 -2.80 105.19 104.61 2cru n GLY 24 Ca -0.08 -0.70 0.17 0.00 0.00 0.00 0.00 46.02 45.41 2cru n GLY 24 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2cru h ASP 25 N 8.72 0.00 -0.81 1.61 3.32 -2.00 -1.94 116.42 125.32 2cru h ASP 25 Ca 0.00 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.28 2cru h ASP 25 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2cru h ASP 25 CO 0.00 0.00 0.73 0.00 -1.72 0.00 0.00 179.24 178.25 2cru h ALA 26 N 1.65 2.65 0.00 3.45 0.00 -1.92 -0.87 119.26 124.23 2cru h ALA 26 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2cru h ALA 26 Cb 0.33 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2cru h ALA 26 CO 0.00 -1.15 -0.22 0.00 0.00 0.00 0.00 179.25 177.88 2cru h ALA 27 N 1.30 0.04 0.00 0.00 0.00 -1.60 -3.27 119.26 115.73 2cru h ALA 27 Ca 0.38 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2cru h ALA 27 Cb 1.84 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.77 2cru h ALA 27 CO -0.00 0.14 0.21 -0.56 0.00 0.00 0.00 179.25 179.03 2cru h GLN 28 N -1.00 0.00 0.20 0.00 3.07 -1.37 0.12 115.11 116.13 2cru h GLN 28 Ca -0.05 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.37 2cru h GLN 28 Cb 0.73 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.31 2cru h GLN 28 CO -0.03 0.00 -1.47 1.96 0.09 0.00 0.00 178.83 179.38 2cru h GLN 29 N 0.00 0.42 0.31 0.06 4.20 -1.35 -3.23 115.11 115.52 2cru h GLN 29 Ca 0.00 -0.72 -0.02 0.00 0.06 0.00 0.00 58.65 57.98 2cru h GLN 29 Cb 0.42 0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.47 2cru h GLN 29 CO 0.00 1.33 -0.15 0.93 -0.67 0.00 0.00 178.83 180.27 2cru h GLU 30 N 0.11 -0.40 -0.38 1.46 3.07 -0.81 0.17 114.58 117.81 2cru h GLU 30 Ca -0.24 0.03 0.08 0.00 -0.50 0.00 0.00 59.36 58.73 2cru h GLU 30 Cb 2.10 0.09 -0.08 0.00 -0.84 0.00 0.00 28.75 30.01 2cru h GLU 30 CO 0.23 -0.18 -0.22 0.00 -1.40 0.00 0.00 179.01 177.45 2cru h ALA 31 N 0.08 0.03 -0.06 3.43 0.00 -1.67 0.23 119.26 121.31 2cru h ALA 31 Ca -0.04 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2cru h ALA 31 Cb 0.41 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2cru h ALA 31 CO 0.07 -0.60 -0.32 1.57 0.00 0.00 0.00 179.25 179.97 2cru h LYS 32 N -0.16 0.10 -0.02 0.00 2.10 -1.56 -2.55 116.57 114.48 2cru h LYS 32 Ca 0.18 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.79 2cru h LYS 32 Cb 0.45 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.77 2cru h LYS 32 CO -0.47 0.42 -0.04 1.25 -2.00 0.00 0.00 179.45 178.61 2cru h HIS 33 N 0.09 0.03 -0.49 0.07 2.76 0.14 -1.80 115.15 115.95 2cru h HIS 33 Ca 0.01 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.13 2cru h HIS 33 Cb 0.62 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 2cru h HIS 33 CO 0.00 0.07 0.10 0.00 -1.30 0.00 0.00 177.93 176.80 2cru h ARG 34 N 0.03 0.76 -0.77 5.26 2.47 -0.91 -2.39 114.38 118.82 2cru h ARG 34 Ca 0.01 -0.16 0.16 0.00 -1.26 0.00 0.00 59.98 58.73 2cru h ARG 34 Cb 0.08 -0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 28.24 2cru h ARG 34 CO 0.00 0.70 0.52 1.49 0.56 0.00 0.00 179.97 183.24 2cru h GLU 35 N 0.73 0.36 0.00 0.04 4.81 -1.43 0.41 114.58 119.50 2cru h GLU 35 Ca 0.16 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2cru h GLU 35 Cb 0.30 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2cru h GLU 35 CO 0.00 0.24 -0.21 0.00 -0.73 0.00 0.00 179.01 178.31 2cru h ALA 36 N 1.64 0.89 0.00 2.92 0.00 -1.53 -2.26 119.26 120.92 2cru h ALA 36 Ca 0.38 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.05 2cru h ALA 36 Cb 0.95 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2cru h ALA 36 CO -0.12 0.00 -1.36 0.93 0.00 0.00 0.00 179.25 178.71 2cru h GLU 37 N 0.00 0.00 0.12 0.00 4.39 -0.17 -3.01 114.58 115.91 2cru h GLU 37 Ca 0.00 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.37 2cru h GLU 37 Cb 0.97 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 2cru h GLU 37 CO 0.00 0.65 -1.70 0.00 -1.16 0.00 0.00 179.01 176.80 2cru h MET 38 N 0.00 0.25 0.00 2.33 -0.00 -0.83 -3.12 114.93 113.56 2cru h MET 38 Ca -0.16 -0.43 -0.07 0.00 -0.00 0.00 0.00 59.70 59.04 2cru h MET 38 Cb 1.84 0.16 -0.01 0.00 -0.00 0.00 0.00 31.60 33.59 2cru h MET 38 CO 0.09 1.10 -0.34 0.07 -0.00 0.00 0.00 176.91 177.83 2cru h ARG 39 N 0.07 0.00 0.00 -0.10 -0.00 -1.55 -0.19 114.38 112.61 2cru h ARG 39 Ca -0.31 0.00 -0.16 0.00 -0.00 0.00 0.00 59.98 59.52 2cru h ARG 39 Cb 2.04 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.98 2cru h ARG 39 CO 0.14 0.34 -0.87 -0.91 -0.00 0.00 0.00 179.97 178.67 2cru h ASN 40 N 0.00 0.00 0.27 0.08 2.35 -1.64 -2.75 115.58 113.89 2cru h ASN 40 Ca -0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 2cru h ASN 40 Cb 0.91 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 2cru h ASN 40 CO 0.04 0.68 -1.79 0.28 -1.65 0.00 0.00 177.43 174.99 2cru h SER 41 N 0.00 0.39 0.69 5.81 0.02 -1.46 -3.09 113.55 115.91 2cru h SER 41 Ca -0.05 -0.71 -0.12 0.00 -0.84 0.00 0.00 61.79 60.07 2cru h SER 41 Cb 1.56 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.96 2cru h SER 41 CO 0.08 1.62 -0.58 0.40 -1.14 0.00 0.00 176.83 177.20 2cru h ILE 42 N 0.07 1.34 0.04 3.27 2.04 -1.15 -2.35 117.51 120.76 2cru h ILE 42 Ca -0.34 -2.05 -0.22 0.00 1.00 0.00 0.00 64.86 63.24 2cru h ILE 42 Cb 2.04 2.13 -0.02 0.00 -0.74 0.00 0.00 36.82 40.24 2cru h ILE 42 CO 0.12 0.57 -1.04 -0.07 0.00 0.00 0.00 178.15 177.73 2cru h LEU 43 N 0.00 0.14 -0.32 1.44 3.38 -1.62 -2.90 115.31 115.43 2cru h LEU 43 Ca -0.01 -0.15 -0.20 0.00 0.09 0.00 0.00 57.88 57.62 2cru h LEU 43 Cb 1.08 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2cru h LEU 43 CO 0.08 1.09 -0.78 0.00 0.09 0.00 0.00 178.44 178.91 2cru h ALA 44 N 0.89 0.51 -0.17 1.53 0.00 -1.46 -1.54 119.26 119.03 2cru h ALA 44 Ca -0.05 -0.63 -0.16 0.00 0.00 0.00 0.00 54.91 54.08 2cru h ALA 44 Cb 1.78 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2cru h ALA 44 CO 0.15 0.76 -0.56 -0.56 0.00 0.00 0.00 179.25 179.05 2cru h GLN 45 N 0.30 0.52 0.00 0.00 3.07 -1.49 -2.96 115.11 114.55 2cru h GLN 45 Ca -0.04 -0.33 0.00 0.00 0.09 0.00 0.00 58.65 58.37 2cru h GLN 45 Cb 1.38 0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.98 2cru h GLN 45 CO 0.14 0.94 -0.20 -0.39 0.09 0.00 0.00 178.83 179.40 2cru h VAL 46 N 0.40 0.00 -3.27 1.86 -1.51 -1.51 -3.44 116.25 108.78 2cru h VAL 46 Ca 0.01 -0.53 -0.66 0.00 -1.23 0.00 0.00 66.70 64.28 2cru h VAL 46 Cb 1.09 1.40 -0.31 0.00 -2.13 0.00 0.00 31.29 31.35 2cru h VAL 46 CO 0.10 0.00 -0.78 -0.76 -1.23 0.00 0.00 177.57 174.90 2cru s LEU 47 N -4.60 2.60 0.88 4.19 1.43 -0.58 -1.77 118.68 120.83 2cru s LEU 47 Ca 0.09 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.55 2cru s LEU 47 Cb 0.12 -1.63 0.12 0.00 0.03 0.00 0.00 46.19 44.83 2cru s LEU 47 CO 0.64 -0.02 1.09 -0.62 0.23 0.00 0.00 176.35 177.68 2cru s ASP 48 N 1.39 3.62 0.16 2.29 2.15 -0.91 -4.62 116.67 120.75 2cru s ASP 48 Ca 0.05 1.47 -0.26 0.00 0.43 0.00 0.00 52.55 54.24 2cru s ASP 48 Cb -0.14 -2.16 0.01 0.00 -0.30 0.00 0.00 42.92 40.34 2cru s ASP 48 CO -0.07 -2.54 1.57 -0.61 -0.17 0.00 0.00 175.17 173.35 2cru h GLN 49 N -1.48 -0.28 -0.73 4.34 5.75 -1.90 0.15 115.11 120.97 2cru h GLN 49 Ca -0.49 0.02 0.14 0.00 -0.15 0.00 0.00 58.65 58.17 2cru h GLN 49 Cb 1.28 0.06 -0.14 0.00 1.07 0.00 0.00 27.48 29.76 2cru h GLN 49 CO 0.55 -0.19 -0.19 0.77 -2.65 0.00 0.00 178.83 177.12 2cru h SER 50 N -0.29 -0.71 0.18 -0.69 0.02 -1.92 -0.97 113.55 109.16 2cru h SER 50 Ca 0.15 0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 2cru h SER 50 Cb 0.57 0.46 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2cru h SER 50 CO -0.61 -0.25 -0.09 0.00 -1.14 0.00 0.00 176.83 174.75 2cru h ALA 51 N 1.69 -0.24 -0.89 3.77 0.00 -1.36 -3.00 119.26 119.23 2cru h ALA 51 Ca 0.35 -0.11 0.17 0.00 0.00 0.00 0.00 54.91 55.31 2cru h ALA 51 Cb 0.54 0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.26 2cru h ALA 51 CO -0.75 -0.56 -0.26 0.54 0.00 0.00 0.00 179.25 178.22 2cru n ARG 52 N -5.12 -0.12 -0.21 0.00 5.12 0.38 0.12 116.66 116.83 2cru n ARG 52 Ca -0.09 1.39 -0.06 0.00 -1.93 0.00 0.00 57.85 57.16 2cru n ARG 52 Cb 0.17 -2.07 0.04 0.00 -1.16 0.00 0.00 32.46 29.44 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 1.63 0.76 0.28 7.54 0.00 -1.37 -2.35 119.26 125.76 2cru h ALA 53 Ca 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2cru h ALA 53 Cb 0.62 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2cru h ALA 53 CO -0.91 0.21 -0.13 0.00 0.00 0.00 0.00 179.25 178.42 2cru h ARG 54 N 0.81 -0.36 -0.37 0.00 2.47 0.11 -2.29 114.38 114.76 2cru h ARG 54 Ca 0.22 0.02 0.08 0.00 -1.26 0.00 0.00 59.98 59.04 2cru h ARG 54 Cb -0.07 0.08 -0.09 0.00 -1.65 0.00 0.00 29.97 28.25 2cru h ARG 54 CO -0.04 -0.20 -0.29 1.25 0.56 0.00 0.00 179.97 181.24 2cru h LEU 55 N -0.43 -0.96 -0.57 3.04 5.85 -0.56 -0.99 115.31 120.68 2cru h LEU 55 Ca -0.04 0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.96 2cru h LEU 55 Cb 0.33 0.46 -0.08 0.00 0.37 0.00 0.00 40.66 41.74 2cru h LEU 55 CO 0.06 -0.30 0.13 0.28 -0.34 0.00 0.00 178.44 178.27 2cru h SER 56 N -0.24 0.03 -0.95 1.25 0.02 -1.34 0.23 113.55 112.54 2cru h SER 56 Ca 0.17 0.10 0.21 0.00 -0.84 0.00 0.00 61.79 61.43 2cru h SER 56 Cb 0.51 0.13 -0.08 0.00 0.14 0.00 0.00 62.40 63.11 2cru h SER 56 CO -0.50 0.03 0.62 0.78 -1.14 0.00 0.00 176.83 176.61 2cru h ASN 57 N 0.27 0.50 0.96 3.07 2.35 -0.59 0.46 115.58 122.60 2cru h ASN 57 Ca 0.29 0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 56.01 2cru h ASN 57 Cb 0.41 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 2cru h ASN 57 CO -0.37 0.18 -0.46 0.25 -1.65 0.00 0.00 177.43 175.39 2cru h LEU 58 N 0.49 0.00 0.00 1.61 5.85 -0.51 -2.88 115.31 119.87 2cru h LEU 58 Ca 0.52 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.24 2cru h LEU 58 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2cru h LEU 58 CO -0.24 0.46 0.00 0.00 -0.34 0.00 0.00 178.44 178.31 2cru n ALA 59 N -2.29 1.85 -0.01 1.25 0.00 0.16 -1.86 120.51 119.60 2cru n ALA 59 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 2cru n ALA 59 Cb 0.59 -1.21 -0.00 0.00 0.00 0.00 0.00 19.45 18.83 2cru n ALA 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2cru n LEU 60 N -1.16 0.23 -0.25 0.00 4.77 -1.09 -4.23 117.00 115.27 2cru n LEU 60 Ca 0.08 0.04 0.21 0.00 -0.03 0.00 0.00 56.01 56.30 2cru n LEU 60 Cb 0.08 -0.37 0.54 0.00 -2.33 0.00 0.00 43.42 41.33 2cru n LEU 60 CO 0.09 -0.49 1.23 1.62 -1.33 0.00 0.00 177.39 178.50 2cru h VAL 61 N -0.09 0.64 -0.51 4.08 3.04 -1.63 -3.39 116.25 118.38 2cru h VAL 61 Ca 0.00 -0.12 0.17 0.00 -1.01 0.00 0.00 66.70 65.75 2cru h VAL 61 Cb 0.09 0.26 -0.20 0.00 -2.01 0.00 0.00 31.29 29.43 2cru h VAL 61 CO 0.00 0.06 -0.06 -1.59 -1.01 0.00 0.00 177.57 174.97 2cru s LYS 62 N -5.37 0.29 0.12 4.17 -2.85 -0.78 -5.05 119.74 110.27 2cru s LYS 62 Ca -0.08 0.40 -0.13 0.00 -1.00 0.00 0.00 55.97 55.16 2cru s LYS 62 Cb 0.23 0.21 -0.06 0.00 -2.06 0.00 0.00 37.83 36.14 2cru s LYS 62 CO 0.78 -0.43 1.45 -1.00 0.10 0.00 0.00 175.35 176.26 2cru h PRO 63 N 7.75 0.83 -0.65 1.78 0.13 -1.72 -3.26 132.00 136.86 2cru h PRO 63 Ca -0.11 -0.44 0.06 0.00 -0.87 0.00 0.00 66.00 64.65 2cru h PRO 63 Cb 1.18 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.23 2cru h PRO 63 CO -0.01 1.07 -0.51 0.93 -0.23 0.00 0.00 178.00 179.26 2cru h GLU 64 N 0.62 -0.15 -0.95 0.86 5.08 -1.94 0.69 114.58 118.78 2cru h GLU 64 Ca 0.06 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.59 2cru h GLU 64 Cb 0.92 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.12 2cru h GLU 64 CO 0.08 -0.10 0.60 -0.22 -1.00 0.00 0.00 179.01 178.37 2cru h LYS 65 N -0.16 0.69 -0.05 2.33 3.64 -1.92 0.13 116.57 121.24 2cru h LYS 65 Ca 0.11 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.32 2cru h LYS 65 Cb 0.43 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2cru h LYS 65 CO -0.69 0.46 -0.52 1.15 -2.27 0.00 0.00 179.45 177.57 2cru h THR 66 N 0.71 1.36 -0.12 1.00 2.02 -0.29 -3.10 112.91 114.49 2cru h THR 66 Ca 0.50 -1.79 0.01 0.00 0.77 0.00 0.00 66.41 65.90 2cru h THR 66 Cb 0.83 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 2cru h THR 66 CO -0.27 0.52 0.06 0.50 0.37 0.00 0.00 175.52 176.70 2cru h LYS 67 N 0.11 0.13 0.79 6.66 3.64 0.30 -2.13 116.57 126.07 2cru h LYS 67 Ca 0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2cru h LYS 67 Cb 0.96 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2cru h LYS 67 CO 0.08 0.08 -0.45 0.00 -2.27 0.00 0.00 179.45 176.89 2cru h ALA 68 N 1.06 -1.27 -0.77 5.00 0.00 -1.48 -2.64 119.26 119.16 2cru h ALA 68 Ca 0.05 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.82 2cru h ALA 68 Cb 0.01 0.54 -0.12 0.00 0.00 0.00 0.00 17.79 18.22 2cru h ALA 68 CO -0.04 -1.22 -0.45 0.28 0.00 0.00 0.00 179.25 177.82 2cru h VAL 69 N -1.15 0.05 -0.62 0.00 2.07 -1.52 0.61 116.25 115.68 2cru h VAL 69 Ca -0.11 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.53 2cru h VAL 69 Cb 0.91 0.05 -0.12 0.00 -1.52 0.00 0.00 31.29 30.61 2cru h VAL 69 CO 0.13 0.00 -0.26 -0.33 0.02 0.00 0.00 177.57 177.13 2cru h GLU 70 N -0.12 -0.09 0.00 1.57 5.08 -1.32 0.77 114.58 120.46 2cru h GLU 70 Ca 0.22 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2cru h GLU 70 Cb 0.54 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2cru h GLU 70 CO -0.82 -0.06 0.00 -0.91 -1.00 0.00 0.00 179.01 176.22 2cru h ASN 71 N -0.10 0.00 0.45 1.42 2.35 -0.53 -2.70 115.58 116.48 2cru h ASN 71 Ca 0.27 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.77 2cru h ASN 71 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2cru h ASN 71 CO -0.68 0.00 -1.07 0.22 -1.65 0.00 0.00 177.43 174.25 2cru h TYR 72 N 0.00 0.57 -0.03 1.19 3.20 0.58 -3.22 116.97 119.26 2cru h TYR 72 Ca 0.00 -0.35 -0.05 0.00 3.14 0.00 0.00 58.73 61.47 2cru h TYR 72 Cb 0.55 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2cru h TYR 72 CO 0.00 1.21 -0.16 -0.07 -1.64 0.00 0.00 178.16 177.50 2cru h LEU 73 N 0.16 0.20 -0.43 2.82 3.38 -0.35 -3.13 115.31 117.97 2cru h LEU 73 Ca -0.11 -0.66 0.08 0.00 0.09 0.00 0.00 57.88 57.28 2cru h LEU 73 Cb 1.75 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 42.34 2cru h LEU 73 CO 0.18 0.83 -0.36 0.40 0.09 0.00 0.00 178.44 179.58 2cru h ILE 74 N -0.41 0.18 -0.45 1.22 2.04 -1.60 0.33 117.51 118.82 2cru h ILE 74 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 2cru h ILE 74 Cb 0.83 0.18 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 2cru h ILE 74 CO 0.03 0.00 -0.03 1.56 0.00 0.00 0.00 178.15 179.71 2cru h GLN 75 N -0.27 0.07 -0.61 2.37 1.08 -1.65 1.00 115.11 117.11 2cru h GLN 75 Ca 0.17 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 2cru h GLN 75 Cb 0.56 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 2cru h GLN 75 CO -0.57 0.05 0.28 0.52 -0.95 0.00 0.00 178.83 178.16 2cru h MET 76 N 0.08 0.87 -0.03 1.46 2.86 -1.14 -2.49 114.93 116.53 2cru h MET 76 Ca 0.22 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2cru h MET 76 Cb 0.33 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2cru h MET 76 CO -0.40 0.68 0.00 0.00 1.06 0.00 0.00 176.91 178.26 2cru h ALA 77 N 1.44 0.04 -0.00 6.32 0.00 0.12 -1.71 119.26 125.48 2cru h ALA 77 Ca 0.21 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2cru h ALA 77 Cb 0.12 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2cru h ALA 77 CO -0.03 -0.31 -0.29 0.00 0.00 0.00 0.00 179.25 178.62 2cru h ARG 78 N -0.21 -0.42 0.08 0.00 3.08 -0.67 -2.77 114.38 113.46 2cru h ARG 78 Ca 0.01 0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.11 2cru h ARG 78 Cb 0.29 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 2cru h ARG 78 CO 0.00 -0.28 -0.25 1.88 -1.07 0.00 0.00 179.97 180.25 2cru h TYR 79 N -0.44 -0.67 0.00 3.04 -1.99 -1.47 -3.47 116.97 111.97 2cru h TYR 79 Ca 0.06 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.81 2cru h TYR 79 Cb 0.52 0.29 0.00 0.00 2.00 0.00 0.00 36.73 39.54 2cru h TYR 79 CO -0.32 -0.35 0.00 0.41 -0.00 0.00 0.00 178.16 177.90 2cru n GLY 80 N -1.37 1.93 0.07 3.88 0.00 -0.70 -5.06 105.19 103.94 2cru n GLY 80 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 -6.00 1.61 4.20 -1.66 -3.45 115.11 109.82 2cru h GLN 81 Ca 0.00 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 58.02 2cru h GLN 81 Cb 0.00 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2cru h GLN 81 CO 0.00 0.82 1.38 1.28 -0.67 0.00 0.00 178.83 181.65 2cru n LEU 82 N -4.61 1.85 0.03 1.46 4.77 -1.25 -4.86 117.00 114.39 2cru n LEU 82 Ca -0.12 0.49 -0.01 0.00 -0.03 0.00 0.00 56.01 56.33 2cru n LEU 82 Cb 0.43 -1.18 -0.01 0.00 -2.33 0.00 0.00 43.42 40.33 2cru n LEU 82 CO 0.26 -0.73 0.24 0.28 -1.33 0.00 0.00 177.39 176.11 2cru h SER 83 N 11.54 -0.08 -4.74 -1.43 0.02 -1.98 -3.48 113.55 113.40 2cru h SER 83 Ca -0.24 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.22 2cru h SER 83 Cb 1.34 0.02 -0.08 0.00 0.14 0.00 0.00 62.40 63.82 2cru h SER 83 CO 1.03 -0.02 -0.33 -1.84 -1.14 0.00 0.00 176.83 174.54 2cru n GLU 84 N -2.46 1.01 -2.09 3.45 0.28 -1.26 -5.08 120.64 114.48 2cru n GLU 84 Ca -0.01 -2.79 -0.42 0.00 -0.16 0.00 0.00 57.16 53.78 2cru n GLU 84 Cb 0.04 0.64 -0.03 0.00 1.43 0.00 0.00 31.44 33.52 2cru n GLU 84 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2cru s LYS 85 N -3.49 4.20 -0.13 3.44 1.02 -1.26 -4.94 119.74 118.59 2cru s LYS 85 Ca 0.06 2.09 -0.29 0.00 0.02 0.00 0.00 55.97 57.85 2cru s LYS 85 Cb -0.00 -3.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 2cru s LYS 85 CO 0.04 -0.79 1.69 0.08 -0.92 0.00 0.00 175.35 175.44 2cru s VAL 86 N 3.70 3.57 0.64 3.17 1.01 -0.73 -4.70 120.40 127.06 2cru s VAL 86 Ca 0.70 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 63.33 2cru s VAL 86 Cb -0.32 -3.51 0.07 0.00 0.00 0.00 0.00 36.38 32.62 2cru s VAL 86 CO 0.27 -0.15 0.90 -0.94 0.00 0.00 0.00 175.10 175.18 2cru s SER 87 N 4.04 4.88 0.10 3.32 1.04 -1.26 -2.15 113.70 123.66 2cru s SER 87 Ca 0.75 -0.00 -0.19 0.00 0.48 0.00 0.00 55.95 56.99 2cru s SER 87 Cb -0.30 -0.67 -0.04 0.00 0.10 0.00 0.00 66.02 65.10 2cru s SER 87 CO 0.30 -1.47 1.13 1.21 0.98 0.00 0.00 173.24 175.39 2cru n GLU 88 N -2.63 -0.27 -0.22 4.02 2.13 -1.26 0.44 120.64 122.85 2cru n GLU 88 Ca 0.10 1.11 -0.01 0.00 0.66 0.00 0.00 57.16 59.02 2cru n GLU 88 Cb 0.60 -1.64 0.06 0.00 0.27 0.00 0.00 31.44 30.73 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 0.12 5.31 7.50 -1.97 -0.08 115.11 125.95 2cru h GLN 89 Ca 0.10 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.25 2cru h GLN 89 Cb 0.25 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 27.78 2cru h GLN 89 CO -0.57 -0.02 -0.07 0.78 -1.50 0.00 0.00 178.83 177.45 2cru h GLY 90 N -0.03 -0.18 0.26 3.46 0.00 -0.36 -2.74 103.07 103.48 2cru h GLY 90 Ca 0.30 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.75 2cru h GLY 90 CO -0.68 -0.07 -0.33 -2.00 0.00 0.00 0.00 176.54 173.46 2cru h LEU 91 N -0.18 -0.99 -1.14 3.11 5.85 0.49 -0.91 115.31 121.54 2cru h LEU 91 Ca -0.01 0.13 0.29 0.00 0.84 0.00 0.00 57.88 59.13 2cru h LEU 91 Cb 0.15 0.40 -0.12 0.00 0.37 0.00 0.00 40.66 41.46 2cru h LEU 91 CO 0.01 -0.38 0.63 0.40 -0.34 0.00 0.00 178.44 178.76 2cru h ILE 92 N -0.46 0.44 -0.65 4.05 2.04 -0.98 0.41 117.51 122.36 2cru h ILE 92 Ca 0.07 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 2cru h ILE 92 Cb 0.56 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2cru h ILE 92 CO -0.29 0.08 0.07 -0.33 0.00 0.00 0.00 178.15 177.67 2cru h GLU 93 N 0.42 1.10 -0.39 2.37 5.08 -0.87 -2.80 114.58 119.49 2cru h GLU 93 Ca 0.67 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 2cru h GLU 93 Cb 1.54 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 2cru h GLU 93 CO -0.45 1.03 0.20 0.82 -1.00 0.00 0.00 179.01 179.60 2cru h ILE 94 N 1.01 1.16 0.00 3.13 2.04 0.41 -1.49 117.51 123.77 2cru h ILE 94 Ca 0.19 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2cru h ILE 94 Cb 0.49 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2cru h ILE 94 CO 0.02 0.17 0.00 -0.07 0.00 0.00 0.00 178.15 178.27 2cru h LEU 95 N 0.49 0.00 0.00 1.44 3.38 -1.23 0.21 115.31 119.60 2cru h LEU 95 Ca 0.13 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.87 2cru h LEU 95 Cb 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2cru h LEU 95 CO -0.02 0.00 -1.53 0.11 0.09 0.00 0.00 178.44 177.09 2cru h LYS 96 N 0.00 0.00 0.07 1.13 1.57 -1.04 -3.04 116.57 115.26 2cru h LYS 96 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 2cru h LYS 96 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2cru h LYS 96 CO 0.00 0.42 -1.75 1.57 -0.57 0.00 0.00 179.45 179.12 2cru h LYS 97 N 0.00 0.15 0.19 3.15 2.10 -0.38 -3.37 116.57 118.42 2cru h LYS 97 Ca -0.22 -0.26 -0.01 0.00 -2.00 0.00 0.00 60.65 58.16 2cru h LYS 97 Cb 1.81 0.10 0.00 0.00 -0.90 0.00 0.00 32.23 33.24 2cru h LYS 97 CO 0.07 0.90 -0.09 0.28 -2.00 0.00 0.00 179.45 178.60 2cru h VAL 98 N 0.04 0.59 -0.85 0.07 2.07 -0.80 -3.23 116.25 114.14 2cru h VAL 98 Ca -0.32 -1.05 0.20 0.00 0.82 0.00 0.00 66.70 66.35 2cru h VAL 98 Cb 2.02 1.02 -0.16 0.00 -1.52 0.00 0.00 31.29 32.64 2cru h VAL 98 CO 0.10 0.16 -0.11 -0.24 0.02 0.00 0.00 177.57 177.51 2cru n SER 99 N -4.94 -0.21 -0.36 0.57 2.88 -1.15 0.22 113.62 110.63 2cru n SER 99 Ca -0.07 1.46 -0.01 0.00 -1.33 0.00 0.00 58.87 58.92 2cru n SER 99 Cb 0.23 -0.48 0.12 0.00 -0.75 0.00 0.00 64.21 63.33 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 0.00 1.20 0.00 -1.46 1.08 -1.72 -3.43 115.11 110.79 2cru h GLN 100 Ca 0.46 -0.07 -0.17 0.00 -1.45 0.00 0.00 58.65 57.41 2cru h GLN 100 Cb 0.82 -0.27 0.10 0.00 -0.05 0.00 0.00 27.48 28.08 2cru h GLN 100 CO -0.84 0.80 -0.08 1.04 -0.95 0.00 0.00 178.83 178.79 2cru n GLN 101 N -4.46 -3.32 -3.52 1.46 6.02 0.61 -4.32 117.38 109.85 2cru n GLN 101 Ca 0.12 -0.69 -0.18 0.00 -0.01 0.00 0.00 57.00 56.24 2cru n GLN 101 Cb 0.07 -0.91 0.07 0.00 1.02 0.00 0.00 30.24 30.49 2cru n GLN 101 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2cru n THR 102 N -4.34 -5.47 -3.86 5.09 -1.04 -1.26 -4.97 114.28 98.42 2cru n THR 102 Ca 0.07 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 2cru n THR 102 Cb 0.28 -4.59 0.01 0.00 -1.82 0.00 0.00 70.33 64.22 2cru n THR 102 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2cru s GLU 103 N -5.57 0.76 0.09 -2.82 -1.05 -1.26 -5.16 118.70 103.69 2cru s GLU 103 Ca 0.00 -0.48 0.02 0.00 -0.15 0.00 0.00 54.97 54.37 2cru s GLU 103 Cb -0.00 0.22 -0.04 0.00 -0.44 0.00 0.00 34.13 33.87 2cru s GLU 103 CO 0.76 -0.36 0.16 0.15 0.95 0.00 0.00 175.26 176.92 2cru s LYS 104 N -2.25 3.15 0.88 -4.83 1.02 -1.26 -5.09 119.74 111.36 2cru s LYS 104 Ca 0.22 -0.61 -0.13 0.00 0.02 0.00 0.00 55.97 55.48 2cru s LYS 104 Cb -0.00 -2.86 0.05 0.00 -0.52 0.00 0.00 37.83 34.49 2cru s LYS 104 CO 0.01 0.57 0.67 -2.37 -0.92 0.00 0.00 175.35 173.31 2cru n THR 105 N 0.20 0.66 -0.46 2.17 5.66 -1.26 -4.95 114.28 116.30 2cru n THR 105 Ca -0.07 -0.20 0.02 0.00 -3.05 0.00 0.00 64.05 60.74 2cru n THR 105 Cb 0.52 -0.79 0.02 0.00 -1.55 0.00 0.00 70.33 68.53 2cru n THR 105 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2cru n THR 106 N -3.43 0.89 -3.53 1.09 5.66 -1.26 -4.98 114.28 108.72 2cru n THR 106 Ca 0.09 -0.95 -0.42 0.00 -3.05 0.00 0.00 64.05 59.73 2cru n THR 106 Cb 0.52 0.49 -0.09 0.00 -1.55 0.00 0.00 70.33 69.69 2cru n THR 106 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2cru s THR 107 N -1.04 4.62 -0.13 1.09 2.01 -1.26 -5.07 115.64 115.86 2cru s THR 107 Ca 0.05 -1.18 -0.10 0.00 0.31 0.00 0.00 61.69 60.77 2cru s THR 107 Cb 0.04 -3.75 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 2cru s THR 107 CO 0.00 -0.47 0.19 0.68 -0.69 0.00 0.00 174.62 174.33 2cru s VAL 108 N 1.52 5.39 0.03 3.82 -7.23 -1.26 -5.08 120.40 117.60 2cru s VAL 108 Ca 0.03 0.33 -0.26 0.00 -1.81 0.00 0.00 61.98 60.27 2cru s VAL 108 Cb -0.23 -3.49 -0.05 0.00 0.56 0.00 0.00 36.38 33.18 2cru s VAL 108 CO 0.04 0.54 0.82 -0.75 -0.31 0.00 0.00 175.10 175.44 2cru s LYS 109 N -0.47 4.53 0.17 4.82 2.20 -1.26 -5.05 119.74 124.68 2cru s LYS 109 Ca 0.15 1.16 -0.01 0.00 -0.36 0.00 0.00 55.97 56.90 2cru s LYS 109 Cb -0.12 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2cru s LYS 109 CO 0.04 0.18 0.11 0.12 -0.36 0.00 0.00 175.35 175.44 2cru s PHE 110 N 0.26 1.02 -0.10 4.03 5.36 -1.26 -5.18 117.98 122.11 2cru s PHE 110 Ca 0.42 -1.30 -0.21 0.00 -0.96 0.00 0.00 56.93 54.88 2cru s PHE 110 Cb -0.21 -0.51 0.05 0.00 -0.34 0.00 0.00 43.02 42.01 2cru s PHE 110 CO 0.24 -0.60 0.50 -0.80 -1.46 0.00 0.00 175.22 173.10 2cru s ASN 111 N -3.11 -0.47 0.05 6.13 -0.87 -1.26 -5.18 114.94 110.23 2cru s ASN 111 Ca 0.33 0.68 -0.21 0.00 -1.57 0.00 0.00 52.86 52.08 2cru s ASN 111 Cb 0.07 0.71 0.05 0.00 -0.02 0.00 0.00 41.25 42.06 2cru s ASN 111 CO 0.08 -0.37 0.50 -0.60 -2.57 0.00 0.00 177.10 174.13 2cru s ARG 112 N -0.57 1.01 -1.55 -0.60 3.52 -1.26 -4.94 118.95 114.56 2cru s ARG 112 Ca -0.07 -0.26 -0.07 0.00 -0.13 0.00 0.00 55.73 55.21 2cru s ARG 112 Cb -0.03 0.46 0.06 0.00 -1.56 0.00 0.00 34.95 33.88 2cru s ARG 112 CO 0.04 -0.36 0.44 -1.13 -0.81 0.00 0.00 175.30 173.48 2cru n SER 113 N 0.43 -0.94 0.00 -2.12 3.41 -1.26 -4.92 113.62 108.23 2cru n SER 113 Ca -0.18 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.35 2cru n SER 113 Cb 0.60 -2.57 0.00 0.00 -0.26 0.00 0.00 64.21 61.98 2cru n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cru n GLY 114 N -1.90 0.73 3.67 5.00 0.00 -1.26 -4.92 105.19 106.52 2cru n GLY 114 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 4.24 0.14 1.61 0.04 -1.26 -5.00 135.00 134.77 2cru s PRO 115 Ca 0.00 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 2cru s PRO 115 Cb 0.00 -3.74 0.00 0.00 0.04 0.00 0.00 34.50 30.81 2cru s PRO 115 CO 0.00 -0.70 0.30 -1.12 0.04 0.00 0.00 177.00 175.53 2cru s SER 116 N 2.40 -0.00 -0.16 6.66 0.01 -1.26 -5.16 113.70 116.19 2cru s SER 116 Ca 0.66 -0.71 -0.03 0.00 1.31 0.00 0.00 55.95 57.18 2cru s SER 116 Cb -0.31 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.33 2cru s SER 116 CO 0.26 -0.87 -0.04 -0.44 0.41 0.00 0.00 173.24 172.56 2cru s SER 117 N -2.91 4.70 0.00 2.44 0.01 -1.26 -5.29 113.70 111.39 2cru s SER 117 Ca 0.11 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.21 2cru s SER 117 Cb 0.03 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.49 2cru s SER 117 CO -0.05 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.37