#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 -0.13 0.04 1.61 1.04 -1.26 -5.19 113.70 109.81 2cru s SER 2 Ca 0.00 -0.23 -0.27 0.00 0.48 0.00 0.00 55.95 55.92 2cru s SER 2 Cb 0.00 0.31 0.10 0.00 0.10 0.00 0.00 66.02 66.53 2cru s SER 2 CO 0.00 -0.57 1.21 -0.55 0.98 0.00 0.00 173.24 174.31 2cru s SER 3 N -2.89 -0.02 0.00 7.02 0.15 -1.26 -5.20 113.70 111.51 2cru s SER 3 Ca 0.13 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2cru s SER 3 Cb 0.02 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2cru s SER 3 CO -0.02 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2cru n GLY 4 N -0.73 0.43 3.61 9.45 0.00 -1.26 -5.19 105.19 111.50 2cru n GLY 4 Ca -0.01 -0.84 -0.06 0.00 0.00 0.00 0.00 46.02 45.10 2cru n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cru s SER 5 N 0.00 -0.21 0.26 1.61 0.15 -1.26 -5.19 113.70 109.06 2cru s SER 5 Ca 0.00 0.22 -0.17 0.00 0.70 0.00 0.00 55.95 56.69 2cru s SER 5 Cb 0.00 0.18 0.01 0.00 -1.71 0.00 0.00 66.02 64.50 2cru s SER 5 CO 0.00 -0.21 0.61 -0.55 1.20 0.00 0.00 173.24 174.29 2cru s SER 6 N -1.15 -0.19 0.00 5.45 0.15 -1.26 -5.16 113.70 111.55 2cru s SER 6 Ca 0.04 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2cru s SER 6 Cb -0.01 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2cru s SER 6 CO -0.03 -1.25 0.00 0.61 1.20 0.00 0.00 173.24 173.77 2cru n GLY 7 N -0.42 -0.17 0.87 9.45 0.00 -1.26 -5.08 105.19 108.58 2cru n GLY 7 Ca -0.03 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2cru n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cru n LEU 8 N -0.88 0.00 -3.40 0.99 4.77 -1.26 -5.14 117.00 112.08 2cru n LEU 8 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2cru n LEU 8 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2cru n LEU 8 CO 0.00 -0.27 0.67 -0.60 -1.33 0.00 0.00 177.39 175.86 2cru s ARG 9 N -0.54 0.26 0.48 3.23 3.52 -1.26 -5.18 118.95 119.46 2cru s ARG 9 Ca 0.00 0.61 0.08 0.00 -0.13 0.00 0.00 55.73 56.29 2cru s ARG 9 Cb 0.00 0.33 0.03 0.00 -1.56 0.00 0.00 34.95 33.76 2cru s ARG 9 CO 0.00 -0.08 0.59 1.03 -0.81 0.00 0.00 175.30 176.03 2cru s ARG 10 N 2.23 2.54 -0.29 5.12 1.81 -1.26 -5.13 118.95 123.96 2cru s ARG 10 Ca -0.03 -1.51 -0.16 0.00 -1.72 0.00 0.00 55.73 52.31 2cru s ARG 10 Cb -0.05 -2.58 0.17 0.00 -0.45 0.00 0.00 34.95 32.04 2cru s ARG 10 CO -0.17 -0.49 1.08 -1.14 -0.68 0.00 0.00 175.30 173.90 2cru s GLN 11 N -4.41 0.25 -0.30 3.54 2.00 -1.26 -5.16 119.66 114.32 2cru s GLN 11 Ca 0.54 0.47 -0.15 0.00 -2.00 0.00 0.00 55.36 54.22 2cru s GLN 11 Cb -0.06 0.13 0.17 0.00 0.80 0.00 0.00 33.01 34.04 2cru s GLN 11 CO 0.33 -0.06 1.01 0.50 -0.50 0.00 0.00 175.29 176.57 2cru s ARG 12 N 1.54 0.27 0.19 1.67 6.06 -1.26 -5.18 118.95 122.23 2cru s ARG 12 Ca -0.07 0.65 -0.16 0.00 -2.50 0.00 0.00 55.73 53.65 2cru s ARG 12 Cb -0.03 0.39 0.02 0.00 0.06 0.00 0.00 34.95 35.39 2cru s ARG 12 CO -0.14 -0.11 0.48 -0.51 -2.50 0.00 0.00 175.30 172.53 2cru s LEU 13 N 2.45 0.22 -0.26 -0.88 1.43 -1.26 -5.18 118.68 115.21 2cru s LEU 13 Ca -0.02 -0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 52.26 2cru s LEU 13 Cb -0.06 1.99 0.16 0.00 0.03 0.00 0.00 46.19 48.30 2cru s LEU 13 CO -0.17 -1.03 1.21 0.00 0.23 0.00 0.00 176.35 176.59 2cru s ALA 14 N -3.89 -2.06 -0.26 4.21 0.00 -1.26 -5.15 121.76 113.35 2cru s ALA 14 Ca 0.11 1.76 -0.04 0.00 0.00 0.00 0.00 51.96 53.78 2cru s ALA 14 Cb -0.00 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.74 2cru s ALA 14 CO -0.02 -0.21 -0.01 -2.00 0.00 0.00 0.00 175.76 173.51 2cru s GLU 15 N -0.38 3.05 0.95 0.00 2.12 -1.26 -5.11 118.70 118.08 2cru s GLU 15 Ca 0.04 -0.85 -0.12 0.00 0.36 0.00 0.00 54.97 54.40 2cru s GLU 15 Cb -0.03 -3.12 0.16 0.00 0.26 0.00 0.00 34.13 31.40 2cru s GLU 15 CO -0.07 -0.37 1.11 -0.48 -0.54 0.00 0.00 175.26 174.91 2cru s LEU 16 N 1.42 1.83 0.10 2.70 -0.00 -1.26 -5.08 118.68 118.38 2cru s LEU 16 Ca 0.02 1.15 0.01 0.00 -0.00 0.00 0.00 54.13 55.31 2cru s LEU 16 Cb -0.16 -3.42 -0.04 0.00 -0.00 0.00 0.00 46.19 42.57 2cru s LEU 16 CO -0.02 -2.86 -0.04 0.00 -0.00 0.00 0.00 176.35 173.42 2cru s GLN 17 N -5.07 0.82 0.23 1.48 1.03 -1.26 -5.17 119.66 111.73 2cru s GLN 17 Ca 0.64 -1.34 -0.17 0.00 0.04 0.00 0.00 55.36 54.53 2cru s GLN 17 Cb -0.17 -0.10 0.06 0.00 0.03 0.00 0.00 33.01 32.83 2cru s GLN 17 CO 0.56 -0.06 0.85 0.00 -2.54 0.00 0.00 175.29 174.10 2cru n ALA 18 N -0.04 -2.13 -2.21 2.60 0.00 -1.26 -5.19 120.51 112.28 2cru n ALA 18 Ca -0.11 -0.99 -0.08 0.00 0.00 0.00 0.00 53.44 52.26 2cru n ALA 18 Cb 0.61 0.64 -0.09 0.00 0.00 0.00 0.00 19.45 20.61 2cru n ALA 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2cru s LYS 19 N -2.06 0.72 0.20 0.00 2.20 -1.26 -5.17 119.74 114.37 2cru s LYS 19 Ca 0.18 -1.20 0.09 0.00 -0.36 0.00 0.00 55.97 54.68 2cru s LYS 19 Cb -0.03 0.25 -0.04 0.00 -1.51 0.00 0.00 37.83 36.49 2cru s LYS 19 CO 0.07 -0.17 -0.18 -1.58 -0.36 0.00 0.00 175.35 173.13 2cru s HIS 20 N -3.93 1.89 0.93 4.03 5.65 -1.26 -5.13 115.29 117.48 2cru s HIS 20 Ca 0.09 -0.47 -0.10 0.00 0.25 0.00 0.00 55.06 54.83 2cru s HIS 20 Cb 0.07 -0.90 0.14 0.00 -1.18 0.00 0.00 32.58 30.71 2cru s HIS 20 CO -0.08 0.41 1.05 0.41 -0.65 0.00 0.00 174.74 175.88 2cru n GLY 21 N -0.04 -0.64 3.54 1.59 0.00 -1.26 -5.05 105.19 103.34 2cru n GLY 21 Ca -0.10 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.55 -0.61 0.00 1.61 1.01 -1.26 -5.02 116.67 109.85 2cru s ASP 22 Ca 0.66 0.73 0.14 0.00 0.71 0.00 0.00 52.55 54.79 2cru s ASP 22 Cb -0.23 0.58 0.63 0.00 1.01 0.00 0.00 42.92 44.91 2cru s ASP 22 CO 0.59 -0.52 1.44 -0.81 0.21 0.00 0.00 175.17 176.09 2cru n PRO 23 N 1.06 0.04 -0.26 8.23 -0.04 -1.26 -3.84 135.00 138.92 2cru n PRO 23 Ca -0.17 0.24 0.17 0.00 -0.04 0.00 0.00 63.50 63.69 2cru n PRO 23 Cb 0.57 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.04 -0.90 0.36 0.55 0.00 -1.26 0.28 105.19 104.19 2cru n GLY 24 Ca 0.04 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 0.00 -1.22 -0.73 1.61 3.32 -2.01 0.41 116.42 117.79 2cru h ASP 25 Ca 0.55 0.29 0.16 0.00 0.02 0.00 0.00 57.03 58.05 2cru h ASP 25 Cb 1.26 0.68 -0.12 0.00 0.22 0.00 0.00 39.33 41.37 2cru h ASP 25 CO -0.69 -0.30 0.06 0.00 -1.72 0.00 0.00 179.24 176.59 2cru h ALA 26 N 1.48 0.81 -0.42 3.45 0.00 -0.50 0.06 119.26 124.14 2cru h ALA 26 Ca 0.36 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.49 2cru h ALA 26 Cb 0.62 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2cru h ALA 26 CO -0.93 -0.40 0.27 0.00 0.00 0.00 0.00 179.25 178.19 2cru h ALA 27 N 1.66 0.54 -0.54 0.00 0.00 -0.30 -3.04 119.26 117.58 2cru h ALA 27 Ca 0.40 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.36 2cru h ALA 27 Cb 0.70 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 2cru h ALA 27 CO -0.60 -0.03 -0.49 0.37 0.00 0.00 0.00 179.25 178.50 2cru h GLN 28 N 0.55 -0.27 -1.22 0.00 5.75 -0.22 0.30 115.11 120.00 2cru h GLN 28 Ca 0.16 0.02 0.43 0.00 -0.15 0.00 0.00 58.65 59.11 2cru h GLN 28 Cb -0.04 0.06 -0.13 0.00 1.07 0.00 0.00 27.48 28.44 2cru h GLN 28 CO -0.05 -0.18 0.78 1.04 -2.65 0.00 0.00 178.83 177.77 2cru n GLN 29 N -5.38 -0.03 -0.03 1.69 6.02 -1.09 0.11 117.38 118.66 2cru n GLN 29 Ca -0.00 1.14 -0.15 0.00 -0.01 0.00 0.00 57.00 57.98 2cru n GLN 29 Cb 0.34 -2.24 -0.12 0.00 1.02 0.00 0.00 30.24 29.24 2cru n GLN 29 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2cru h GLU 30 N 0.00 0.12 -0.10 -1.09 4.39 -0.53 -3.22 114.58 114.15 2cru h GLU 30 Ca 0.79 -0.14 0.02 0.00 0.34 0.00 0.00 59.36 60.37 2cru h GLU 30 Cb 2.53 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 31.20 2cru h GLU 30 CO -0.44 0.93 -0.02 0.00 -1.16 0.00 0.00 179.01 178.32 2cru h ALA 31 N 0.20 0.07 0.00 3.43 0.00 0.14 -0.71 119.26 122.39 2cru h ALA 31 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2cru h ALA 31 Cb 1.01 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2cru h ALA 31 CO 0.04 -0.48 0.15 1.57 0.00 0.00 0.00 179.25 180.53 2cru h LYS 32 N 0.01 0.00 -0.07 0.00 2.10 -0.79 -1.17 116.57 116.65 2cru h LYS 32 Ca 0.05 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.62 2cru h LYS 32 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 2cru h LYS 32 CO -0.10 0.00 -0.24 1.25 -2.00 0.00 0.00 179.45 178.36 2cru h HIS 33 N 0.00 0.39 -0.67 0.07 2.76 -1.13 -3.21 115.15 113.35 2cru h HIS 33 Ca 0.00 -0.16 0.02 0.00 -2.20 0.00 0.00 60.37 58.03 2cru h HIS 33 Cb 0.30 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.16 2cru h HIS 33 CO 0.00 0.86 0.45 0.00 -1.30 0.00 0.00 177.93 177.94 2cru h ARG 34 N -0.20 0.84 0.00 5.26 2.47 -1.17 -0.69 114.38 120.89 2cru h ARG 34 Ca -0.01 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.65 2cru h ARG 34 Cb 0.87 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 29.00 2cru h ARG 34 CO 0.05 0.56 -0.02 1.49 0.56 0.00 0.00 179.97 182.60 2cru h GLU 35 N 0.87 0.00 0.00 0.04 4.81 -1.54 0.89 114.58 119.65 2cru h GLU 35 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2cru h GLU 35 Cb -0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2cru h GLU 35 CO -0.06 0.02 -0.59 0.00 -0.73 0.00 0.00 179.01 177.65 2cru h ALA 36 N 1.98 0.67 0.00 2.92 0.00 -1.15 -3.26 119.26 120.40 2cru h ALA 36 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2cru h ALA 36 Cb 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2cru h ALA 36 CO 0.00 0.00 -0.96 0.39 0.00 0.00 0.00 179.25 178.68 2cru n GLU 37 N -2.51 0.51 -0.28 0.00 1.02 -0.06 -3.46 120.64 115.86 2cru n GLU 37 Ca 0.02 0.52 0.08 0.00 -0.02 0.00 0.00 57.16 57.77 2cru n GLU 37 Cb 0.50 -1.69 0.23 0.00 -0.02 0.00 0.00 31.44 30.46 2cru n GLU 37 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2cru h MET 38 N -1.00 0.46 -0.00 3.49 -0.00 -1.10 -1.42 114.93 115.35 2cru h MET 38 Ca -0.19 -0.03 -0.00 0.00 -0.00 0.00 0.00 59.70 59.49 2cru h MET 38 Cb 0.93 -0.10 -0.00 0.00 -0.00 0.00 0.00 31.60 32.42 2cru h MET 38 CO -0.11 0.30 0.00 0.07 -0.00 0.00 0.00 176.91 177.17 2cru h ARG 39 N 0.47 0.01 -0.91 -0.10 0.11 -1.75 -2.62 114.38 109.58 2cru h ARG 39 Ca 0.47 -0.00 0.16 0.00 0.10 0.00 0.00 59.98 60.71 2cru h ARG 39 Cb 0.77 -0.00 -0.16 0.00 1.11 0.00 0.00 29.97 31.69 2cru h ARG 39 CO -0.44 0.20 -0.31 -0.97 0.10 0.00 0.00 179.97 178.55 2cru h ASN 40 N -0.19 -1.15 -0.45 0.08 -0.73 -1.29 0.40 115.58 112.25 2cru h ASN 40 Ca 0.00 0.29 -0.02 0.00 1.87 0.00 0.00 56.30 58.44 2cru h ASN 40 Cb 0.20 0.65 -0.02 0.00 0.27 0.00 0.00 38.32 39.42 2cru h ASN 40 CO -0.00 -0.30 0.21 -1.28 -0.37 0.00 0.00 177.43 175.69 2cru h SER 41 N -0.02 0.59 -0.03 1.15 0.87 -1.43 -1.20 113.55 113.48 2cru h SER 41 Ca 0.38 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.81 2cru h SER 41 Cb 0.63 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2cru h SER 41 CO -0.94 0.56 0.02 0.40 -0.53 0.00 0.00 176.83 176.35 2cru h ILE 42 N 0.58 0.69 0.07 2.23 2.04 0.02 0.15 117.51 123.29 2cru h ILE 42 Ca 0.15 0.00 -0.27 0.00 1.00 0.00 0.00 64.86 65.74 2cru h ILE 42 Cb 0.13 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2cru h ILE 42 CO -0.02 0.00 -1.36 -0.07 0.00 0.00 0.00 178.15 176.71 2cru h LEU 43 N 0.00 0.23 -0.51 1.44 3.38 0.00 -2.91 115.31 116.95 2cru h LEU 43 Ca 0.01 -0.30 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 2cru h LEU 43 Cb 0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2cru h LEU 43 CO -0.00 1.25 -0.69 0.00 0.09 0.00 0.00 178.44 179.09 2cru h ALA 44 N 0.72 0.78 0.09 1.53 0.00 -0.14 -1.78 119.26 120.46 2cru h ALA 44 Ca -0.16 -0.63 -0.26 0.00 0.00 0.00 0.00 54.91 53.86 2cru h ALA 44 Cb 1.94 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.62 2cru h ALA 44 CO 0.15 0.86 -1.15 -0.56 0.00 0.00 0.00 179.25 178.55 2cru h GLN 45 N 0.00 0.28 0.00 0.00 3.07 -1.10 -3.23 115.11 114.13 2cru h GLN 45 Ca -0.01 -0.43 0.00 0.00 0.09 0.00 0.00 58.65 58.31 2cru h GLN 45 Cb 1.28 0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.99 2cru h GLN 45 CO 0.09 1.17 -0.23 1.33 0.09 0.00 0.00 178.83 181.28 2cru n VAL 46 N -3.57 0.45 -4.90 1.86 0.24 -1.10 -4.67 118.33 106.63 2cru n VAL 46 Ca -0.07 -0.25 -0.33 0.00 -2.04 0.00 0.00 64.34 61.65 2cru n VAL 46 Cb 0.97 -0.39 -0.15 0.00 -1.47 0.00 0.00 33.84 32.80 2cru n VAL 46 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2cru s LEU 47 N -4.26 2.55 0.73 1.34 1.43 -0.67 -1.14 118.68 118.66 2cru s LEU 47 Ca 0.09 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2cru s LEU 47 Cb 0.13 -1.55 0.03 0.00 0.03 0.00 0.00 46.19 44.83 2cru s LEU 47 CO 0.64 0.17 1.09 -1.81 0.23 0.00 0.00 176.35 176.67 2cru s ASP 48 N 0.29 5.14 0.24 2.29 1.01 -0.53 -4.71 116.67 120.40 2cru s ASP 48 Ca -0.12 1.26 -0.06 0.00 0.71 0.00 0.00 52.55 54.34 2cru s ASP 48 Cb -0.16 -2.06 0.42 0.00 1.01 0.00 0.00 42.92 42.13 2cru s ASP 48 CO 0.06 -1.55 1.67 -0.61 0.21 0.00 0.00 175.17 174.96 2cru h GLN 49 N -0.80 0.20 0.45 8.23 4.15 -1.90 0.21 115.11 125.66 2cru h GLN 49 Ca -0.46 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 2cru h GLN 49 Cb 1.25 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.88 2cru h GLN 49 CO 0.61 0.14 -0.36 0.77 -1.93 0.00 0.00 178.83 178.06 2cru h SER 50 N 0.21 -0.93 -0.80 -0.69 0.02 -1.92 -2.46 113.55 106.98 2cru h SER 50 Ca 0.39 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.48 2cru h SER 50 Cb 0.67 0.30 -0.06 0.00 0.14 0.00 0.00 62.40 63.45 2cru h SER 50 CO -0.54 -0.52 0.48 0.00 -1.14 0.00 0.00 176.83 175.11 2cru h ALA 51 N -0.39 1.10 -0.50 3.77 0.00 -1.58 -2.40 119.26 119.26 2cru h ALA 51 Ca -0.04 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2cru h ALA 51 Cb 0.69 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 2cru h ALA 51 CO -0.01 0.18 -0.13 0.00 0.00 0.00 0.00 179.25 179.30 2cru h ARG 52 N 0.86 -0.00 -0.31 0.00 2.47 -0.28 -0.37 114.38 116.75 2cru h ARG 52 Ca 0.36 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 59.15 2cru h ARG 52 Cb 0.21 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.45 2cru h ARG 52 CO -0.19 -0.00 -0.24 0.00 0.56 0.00 0.00 179.97 180.10 2cru h ALA 53 N 1.49 -0.07 0.58 0.04 0.00 -0.97 -1.39 119.26 118.93 2cru h ALA 53 Ca 0.24 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2cru h ALA 53 Cb 0.37 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2cru h ALA 53 CO -0.52 -0.65 -0.35 -0.09 0.00 0.00 0.00 179.25 177.64 2cru h ARG 54 N -0.22 -0.85 -1.19 0.00 9.65 -1.27 -1.74 114.38 118.77 2cru h ARG 54 Ca 0.16 0.06 0.36 0.00 -1.10 0.00 0.00 59.98 59.46 2cru h ARG 54 Cb 0.47 0.19 -0.12 0.00 -1.39 0.00 0.00 29.97 29.12 2cru h ARG 54 CO -0.44 -0.56 0.76 1.25 2.80 0.00 0.00 179.97 183.78 2cru h LEU 55 N -0.88 0.33 -0.34 3.80 5.85 -0.74 0.87 115.31 124.20 2cru h LEU 55 Ca -0.07 0.12 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 2cru h LEU 55 Cb 0.71 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2cru h LEU 55 CO 0.07 -0.09 -0.70 -1.28 -0.34 0.00 0.00 178.44 176.10 2cru h SER 56 N 0.21 0.69 -0.62 1.25 0.87 -0.67 -3.05 113.55 112.22 2cru h SER 56 Ca 0.73 -0.43 -0.05 0.00 -1.23 0.00 0.00 61.79 60.81 2cru h SER 56 Cb 2.12 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.85 2cru h SER 56 CO -0.39 1.19 0.19 -0.55 -0.53 0.00 0.00 176.83 176.74 2cru h ASN 57 N 0.41 0.91 -0.05 6.23 -1.07 0.16 -2.53 115.58 119.64 2cru h ASN 57 Ca -0.03 -0.21 -0.03 0.00 0.07 0.00 0.00 56.30 56.11 2cru h ASN 57 Cb 1.29 -0.24 -0.01 0.00 -2.07 0.00 0.00 38.32 37.29 2cru h ASN 57 CO 0.13 0.87 -0.04 0.25 0.07 0.00 0.00 177.43 178.72 2cru h LEU 58 N 0.89 0.21 0.00 6.14 5.85 -1.21 -1.31 115.31 125.88 2cru h LEU 58 Ca 0.20 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2cru h LEU 58 Cb 0.29 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2cru h LEU 58 CO -0.01 0.28 0.00 0.00 -0.34 0.00 0.00 178.44 178.37 2cru n ALA 59 N -2.50 1.13 -0.07 1.25 0.00 -0.95 -1.53 120.51 117.84 2cru n ALA 59 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 2cru n ALA 59 Cb 0.19 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.44 1.52 -0.19 0.00 4.77 -0.50 -4.08 117.00 117.08 2cru n LEU 60 Ca 0.00 0.33 -0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2cru n LEU 60 Cb 0.02 -0.72 0.10 0.00 -2.33 0.00 0.00 43.42 40.49 2cru n LEU 60 CO 0.01 -0.36 0.94 1.62 -1.33 0.00 0.00 177.39 178.28 2cru h VAL 61 N -0.79 0.71 -0.95 4.08 3.04 -1.52 -3.41 116.25 117.41 2cru h VAL 61 Ca 0.00 -0.11 0.07 0.00 -1.01 0.00 0.00 66.70 65.66 2cru h VAL 61 Cb 0.70 0.38 -0.21 0.00 -2.01 0.00 0.00 31.29 30.15 2cru h VAL 61 CO 0.00 0.06 -0.30 -1.59 -1.01 0.00 0.00 177.57 174.73 2cru s LYS 62 N -6.11 0.54 0.24 4.17 -2.85 -0.58 -5.03 119.74 110.11 2cru s LYS 62 Ca -0.13 0.74 0.01 0.00 -1.00 0.00 0.00 55.97 55.59 2cru s LYS 62 Cb 0.17 0.39 0.26 0.00 -2.06 0.00 0.00 37.83 36.59 2cru s LYS 62 CO 0.74 -0.79 1.60 -1.00 0.10 0.00 0.00 175.35 176.00 2cru h PRO 63 N 7.98 0.46 -0.97 1.78 0.13 -1.71 -3.04 132.00 136.62 2cru h PRO 63 Ca -0.12 -0.24 0.25 0.00 -0.87 0.00 0.00 66.00 65.02 2cru h PRO 63 Cb 1.17 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 2cru h PRO 63 CO 0.18 0.81 0.65 1.05 -0.23 0.00 0.00 178.00 180.47 2cru h GLU 64 N 0.37 0.27 0.20 0.86 4.11 -1.93 0.29 114.58 118.75 2cru h GLU 64 Ca 0.03 -0.02 -0.31 0.00 0.07 0.00 0.00 59.36 59.13 2cru h GLU 64 Cb 0.92 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 30.13 2cru h GLU 64 CO 0.08 0.18 -1.48 -0.22 0.07 0.00 0.00 179.01 177.64 2cru h LYS 65 N 0.28 0.42 -0.71 1.06 3.11 -1.90 -3.31 116.57 115.52 2cru h LYS 65 Ca 0.50 -0.71 0.05 0.00 -2.81 0.00 0.00 60.65 57.68 2cru h LYS 65 Cb 1.48 0.27 -0.04 0.00 -1.00 0.00 0.00 32.23 32.94 2cru h LYS 65 CO -0.16 1.34 0.47 1.15 -2.81 0.00 0.00 179.45 179.44 2cru h THR 66 N -0.00 1.06 0.64 1.00 2.02 -0.97 -2.98 112.91 113.67 2cru h THR 66 Ca -0.28 -0.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 2cru h THR 66 Cb 2.02 0.19 0.01 0.00 -1.74 0.00 0.00 68.15 68.63 2cru h THR 66 CO 0.19 0.15 -0.31 0.11 0.37 0.00 0.00 175.52 176.03 2cru h LYS 67 N 0.80 -0.83 -0.96 6.66 1.57 -1.13 -1.86 116.57 120.82 2cru h LYS 67 Ca 0.30 0.06 0.18 0.00 -1.87 0.00 0.00 60.65 59.31 2cru h LYS 67 Cb 0.16 0.19 -0.17 0.00 0.08 0.00 0.00 32.23 32.49 2cru h LYS 67 CO -0.09 -0.55 -0.29 0.00 -0.57 0.00 0.00 179.45 177.95 2cru n ALA 68 N -2.43 0.11 -0.08 3.86 0.00 -1.14 0.38 120.51 121.21 2cru n ALA 68 Ca -0.11 1.02 -0.07 0.00 0.00 0.00 0.00 53.44 54.28 2cru n ALA 68 Cb 0.34 -0.56 -0.00 0.00 0.00 0.00 0.00 19.45 19.22 2cru n ALA 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2cru h VAL 69 N 0.00 0.90 -0.43 0.00 2.07 -1.44 0.12 116.25 117.48 2cru h VAL 69 Ca 0.42 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.95 2cru h VAL 69 Cb 0.66 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 31.03 2cru h VAL 69 CO -0.98 0.04 -0.00 -0.33 0.02 0.00 0.00 177.57 176.32 2cru h GLU 70 N 0.21 0.10 -0.59 1.57 5.08 0.80 -1.23 114.58 120.51 2cru h GLU 70 Ca 0.13 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 2cru h GLU 70 Cb 0.11 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2cru h GLU 70 CO -0.15 0.07 -0.05 -0.97 -1.00 0.00 0.00 179.01 176.92 2cru h ASN 71 N 0.11 1.06 0.15 1.42 -1.24 -0.82 -3.03 115.58 113.23 2cru h ASN 71 Ca 0.21 -0.32 0.02 0.00 0.71 0.00 0.00 56.30 56.92 2cru h ASN 71 Cb 0.31 -0.29 -0.04 0.00 0.73 0.00 0.00 38.32 39.03 2cru h ASN 71 CO -0.36 1.13 -0.35 0.22 -1.29 0.00 0.00 177.43 176.79 2cru h TYR 72 N 0.97 -0.96 0.03 0.67 3.20 0.18 -2.67 116.97 118.40 2cru h TYR 72 Ca 0.16 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.06 2cru h TYR 72 Cb 0.61 0.40 -0.03 0.00 1.54 0.00 0.00 36.73 39.25 2cru h TYR 72 CO 0.04 -0.46 -0.36 -0.07 -1.64 0.00 0.00 178.16 175.68 2cru h LEU 73 N -0.59 -1.09 -0.33 2.82 3.38 -1.26 -2.68 115.31 115.55 2cru h LEU 73 Ca 0.02 0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.14 2cru h LEU 73 Cb 0.61 0.41 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2cru h LEU 73 CO -0.19 -0.36 -0.20 -0.38 0.09 0.00 0.00 178.44 177.40 2cru n ILE 74 N -4.46 -0.23 -0.35 1.22 5.41 -1.15 0.32 119.36 120.12 2cru n ILE 74 Ca -0.05 1.47 0.03 0.00 1.00 0.00 0.00 62.75 65.20 2cru n ILE 74 Cb 0.27 -1.88 0.10 0.00 -0.71 0.00 0.00 39.64 37.41 2cru n ILE 74 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2cru h GLN 75 N 0.00 -0.01 -0.13 0.38 4.20 -1.29 1.64 115.11 119.90 2cru h GLN 75 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2cru h GLN 75 Cb 0.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2cru h GLN 75 CO -0.31 -0.01 0.08 0.52 -0.67 0.00 0.00 178.83 178.44 2cru h MET 76 N -0.01 0.17 0.24 1.46 2.86 0.20 -2.50 114.93 117.36 2cru h MET 76 Ca 0.41 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 58.03 2cru h MET 76 Cb 0.66 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.28 2cru h MET 76 CO -0.97 0.12 -0.12 0.00 1.06 0.00 0.00 176.91 177.00 2cru h ALA 77 N 1.91 -0.33 -0.65 6.32 0.00 0.43 -0.49 119.26 126.45 2cru h ALA 77 Ca 0.05 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 54.90 2cru h ALA 77 Cb -0.01 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 17.79 2cru h ALA 77 CO -0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 179.25 178.78 2cru h ARG 78 N -0.90 0.06 -0.09 0.00 3.08 -0.76 -1.21 114.38 114.57 2cru h ARG 78 Ca -0.03 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2cru h ARG 78 Cb 0.50 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 2cru h ARG 78 CO 0.06 0.04 0.03 1.88 -1.07 0.00 0.00 179.97 180.91 2cru h TYR 79 N 0.06 0.13 0.00 3.04 -1.99 -1.53 -3.48 116.97 113.21 2cru h TYR 79 Ca 0.33 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.05 2cru h TYR 79 Cb 0.54 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.23 2cru h TYR 79 CO -0.44 0.24 0.00 0.41 -0.00 0.00 0.00 178.16 178.38 2cru n GLY 80 N -0.68 1.00 0.13 3.88 0.00 -0.46 -5.06 105.19 104.01 2cru n GLY 80 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 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 0.72 -1.91 1.61 1.13 -0.27 -4.74 117.38 113.91 2cru n GLN 81 Ca 0.00 0.27 -0.24 0.00 -1.94 0.00 0.00 57.00 55.09 2cru n GLN 81 Cb 0.00 -1.68 -0.05 0.00 0.11 0.00 0.00 30.24 28.62 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 -7.05 3.10 0.08 1.08 1.43 -1.24 -4.81 118.68 111.27 2cru s LEU 82 Ca -0.25 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.18 2cru s LEU 82 Cb 0.07 -2.55 -0.17 0.00 0.03 0.00 0.00 46.19 43.57 2cru s LEU 82 CO 0.72 -3.01 1.67 0.28 0.23 0.00 0.00 176.35 176.23 2cru h SER 83 N 12.15 -0.50 -2.96 2.29 0.02 -1.96 -3.45 113.55 119.14 2cru h SER 83 Ca 0.04 0.02 -0.49 0.00 -0.84 0.00 0.00 61.79 60.52 2cru h SER 83 Cb 1.02 0.13 -0.14 0.00 0.14 0.00 0.00 62.40 63.56 2cru h SER 83 CO 1.16 -0.35 -0.67 -1.61 -1.14 0.00 0.00 176.83 174.22 2cru s GLU 84 N -6.10 1.56 0.89 3.45 0.41 -1.26 -5.13 118.70 112.52 2cru s GLU 84 Ca -0.16 -1.80 -0.13 0.00 -0.41 0.00 0.00 54.97 52.47 2cru s GLU 84 Cb 0.04 -1.12 0.04 0.00 -1.78 0.00 0.00 34.13 31.31 2cru s GLU 84 CO 0.63 0.01 0.59 1.63 -0.49 0.00 0.00 175.26 177.63 2cru n LYS 85 N -0.60 -0.14 -4.06 1.61 5.02 -1.26 -4.98 118.16 113.74 2cru n LYS 85 Ca -0.05 0.01 -0.35 0.00 -2.02 0.00 0.00 58.31 55.90 2cru n LYS 85 Cb 0.64 -1.97 -0.12 0.00 -0.02 0.00 0.00 35.03 33.56 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 -2.30 4.17 0.58 -0.18 1.01 -0.29 -4.92 120.40 118.47 2cru s VAL 86 Ca 0.61 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.31 2cru s VAL 86 Cb -0.25 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2cru s VAL 86 CO 0.63 0.43 0.86 -0.44 0.00 0.00 0.00 175.10 176.58 2cru s SER 87 N 0.88 5.42 0.16 3.32 0.01 -1.26 -1.45 113.70 120.78 2cru s SER 87 Ca 0.02 0.46 -0.13 0.00 1.31 0.00 0.00 55.95 57.60 2cru s SER 87 Cb -0.14 -1.41 0.16 0.00 0.21 0.00 0.00 66.02 64.83 2cru s SER 87 CO 0.02 -1.12 1.11 1.21 0.41 0.00 0.00 173.24 174.88 2cru n GLU 88 N -2.52 -0.18 0.05 12.44 0.00 -1.26 -0.62 120.64 128.55 2cru n GLU 88 Ca 0.05 1.10 -0.07 0.00 0.00 0.00 0.00 57.16 58.25 2cru n GLU 88 Cb 0.59 -1.64 -0.04 0.00 0.00 0.00 0.00 31.44 30.35 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 -0.31 -0.91 5.31 1.08 -1.97 -2.06 115.11 116.24 2cru h GLN 89 Ca 0.24 0.02 0.25 0.00 -1.45 0.00 0.00 58.65 57.71 2cru h GLN 89 Cb 0.42 0.07 -0.16 0.00 -0.05 0.00 0.00 27.48 27.76 2cru h GLN 89 CO -0.71 -0.21 0.10 0.78 -0.95 0.00 0.00 178.83 177.84 2cru h GLY 90 N -0.32 1.24 0.00 3.46 0.00 -1.22 -2.12 103.07 104.11 2cru h GLY 90 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2cru h GLY 90 CO -0.12 -0.44 0.00 -0.10 0.00 0.00 0.00 176.54 175.88 2cru n LEU 91 N -5.38 0.00 -0.46 3.11 7.94 -0.46 -1.22 117.00 120.53 2cru n LEU 91 Ca 0.21 0.99 0.39 0.00 -1.11 0.00 0.00 56.01 56.50 2cru n LEU 91 Cb 0.70 -0.49 0.66 0.00 0.53 0.00 0.00 43.42 44.82 2cru n LEU 91 CO -0.01 -0.49 1.19 -0.38 -1.11 0.00 0.00 177.39 176.60 2cru n ILE 92 N -2.26 -0.25 -0.10 1.96 5.41 -0.83 0.23 119.36 123.52 2cru n ILE 92 Ca 0.00 1.78 -0.11 0.00 1.00 0.00 0.00 62.75 65.42 2cru n ILE 92 Cb 0.00 -2.92 0.02 0.00 -0.71 0.00 0.00 39.64 36.03 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 0.86 -0.34 0.38 5.08 -0.76 -3.12 114.58 116.67 2cru h GLU 93 Ca 0.86 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.78 2cru h GLU 93 Cb 2.76 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 32.00 2cru h GLU 93 CO -0.47 1.07 0.15 0.82 -1.00 0.00 0.00 179.01 179.59 2cru h ILE 94 N 0.71 1.17 0.00 3.13 2.04 0.44 -1.93 117.51 123.07 2cru h ILE 94 Ca 0.06 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2cru h ILE 94 Cb 0.93 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2cru h ILE 94 CO 0.09 0.18 0.04 -0.07 0.00 0.00 0.00 178.15 178.39 2cru h LEU 95 N 0.41 0.00 -0.08 1.44 4.07 -1.36 0.33 115.31 120.13 2cru h LEU 95 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2cru h LEU 95 Cb 0.15 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.89 2cru h LEU 95 CO -0.01 0.00 -0.20 0.29 -1.08 0.00 0.00 178.44 177.44 2cru n LYS 96 N -3.00 0.23 -0.11 1.13 5.02 -0.73 -3.53 118.16 117.16 2cru n LYS 96 Ca -0.03 -0.08 -0.21 0.00 -2.02 0.00 0.00 58.31 55.97 2cru n LYS 96 Cb 0.11 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.53 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 -1.32 0.50 0.10 1.97 5.02 0.11 -4.40 118.16 120.14 2cru n LYS 97 Ca 0.09 0.18 0.07 0.00 -2.02 0.00 0.00 58.31 56.64 2cru n LYS 97 Cb 0.32 -1.35 0.38 0.00 -0.02 0.00 0.00 35.03 34.36 2cru n LYS 97 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2cru n VAL 98 N -3.72 1.30 0.41 -0.18 3.14 -0.70 -1.45 118.33 117.13 2cru n VAL 98 Ca -0.42 0.57 0.07 0.00 -2.96 0.00 0.00 64.34 61.60 2cru n VAL 98 Cb 0.85 -1.54 0.32 0.00 -1.06 0.00 0.00 33.84 32.41 2cru n VAL 98 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2cru n SER 99 N -1.97 0.17 -0.08 6.55 3.41 -1.23 -3.06 113.62 117.40 2cru n SER 99 Ca -0.00 0.55 -0.14 0.00 -0.26 0.00 0.00 58.87 59.02 2cru n SER 99 Cb 0.06 -0.58 -0.08 0.00 -0.26 0.00 0.00 64.21 63.35 2cru n SER 99 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2cru h GLN 100 N 0.00 0.00 -7.11 4.33 5.75 -1.54 -3.48 115.11 113.06 2cru h GLN 100 Ca 0.00 0.00 -0.62 0.00 -0.15 0.00 0.00 58.65 57.88 2cru h GLN 100 Cb 0.24 0.00 -0.32 0.00 1.07 0.00 0.00 27.48 28.46 2cru h GLN 100 CO 0.00 0.63 -0.91 0.00 -2.65 0.00 0.00 178.83 175.90 2cru n GLN 101 N -4.55 -1.12 -4.01 1.69 10.64 -1.17 -0.44 117.38 118.42 2cru n GLN 101 Ca -0.18 0.17 -0.26 0.00 -1.83 0.00 0.00 57.00 54.89 2cru n GLN 101 Cb 0.46 -4.54 -0.08 0.00 -0.86 0.00 0.00 30.24 25.22 2cru n GLN 101 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 2cru n THR 102 N -4.21 -0.79 0.05 -0.39 5.66 -1.26 -4.80 114.28 108.53 2cru n THR 102 Ca 0.01 -0.39 -0.12 0.00 -3.05 0.00 0.00 64.05 60.51 2cru n THR 102 Cb 0.51 -0.81 -0.05 0.00 -1.55 0.00 0.00 70.33 68.43 2cru n THR 102 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 2cru h GLU 103 N -1.28 -0.43 -7.07 1.09 4.57 -1.12 -3.43 114.58 106.91 2cru h GLU 103 Ca -0.54 0.03 -0.44 0.00 -1.18 0.00 0.00 59.36 57.22 2cru h GLU 103 Cb 1.16 0.10 0.22 0.00 -0.16 0.00 0.00 28.75 30.07 2cru h GLU 103 CO 0.60 -0.29 -0.13 1.17 -1.18 0.00 0.00 179.01 179.18 2cru n LYS 104 N -5.41 -2.36 -1.74 1.92 4.81 -1.26 -4.96 118.16 109.16 2cru n LYS 104 Ca -0.04 -0.66 -0.21 0.00 -0.87 0.00 0.00 58.31 56.53 2cru n LYS 104 Cb 0.32 -2.12 0.06 0.00 0.02 0.00 0.00 35.03 33.31 2cru n LYS 104 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2cru n THR 105 N -4.92 2.62 -0.34 3.15 -2.24 -1.26 -4.84 114.28 106.45 2cru n THR 105 Ca 0.03 -3.90 0.13 0.00 -2.27 0.00 0.00 64.05 58.04 2cru n THR 105 Cb 0.55 -1.01 0.26 0.00 -2.10 0.00 0.00 70.33 68.03 2cru n THR 105 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2cru n THR 106 N -0.80 -0.41 -3.84 4.28 -1.04 -1.26 -4.45 114.28 106.77 2cru n THR 106 Ca 0.43 2.15 -0.12 0.00 -2.04 0.00 0.00 64.05 64.47 2cru n THR 106 Cb 0.91 -3.12 -0.12 0.00 -1.82 0.00 0.00 70.33 66.18 2cru n THR 106 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2cru s THR 107 N -6.01 0.01 -0.06 12.58 -1.32 -1.26 -5.16 115.64 114.43 2cru s THR 107 Ca -0.13 -0.11 -0.03 0.00 -1.21 0.00 0.00 61.69 60.21 2cru s THR 107 Cb 0.28 -0.21 0.03 0.00 -1.51 0.00 0.00 72.50 71.09 2cru s THR 107 CO 0.76 -0.06 0.13 -0.69 -2.21 0.00 0.00 174.62 172.55 2cru s VAL 108 N -0.15 -0.03 0.00 5.08 1.01 -1.26 -5.16 120.40 119.89 2cru s VAL 108 Ca -0.02 0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.79 2cru s VAL 108 Cb -0.02 -0.21 0.07 0.00 0.00 0.00 0.00 36.38 36.22 2cru s VAL 108 CO 0.00 0.05 0.65 -1.59 0.00 0.00 0.00 175.10 174.22 2cru s LYS 109 N 0.80 1.11 -0.57 2.72 -2.85 -1.26 -5.12 119.74 114.57 2cru s LYS 109 Ca -0.06 0.07 -0.28 0.00 -1.00 0.00 0.00 55.97 54.70 2cru s LYS 109 Cb -0.08 0.52 0.03 0.00 -2.06 0.00 0.00 37.83 36.24 2cru s LYS 109 CO -0.04 -0.39 1.19 -0.06 0.10 0.00 0.00 175.35 176.15 2cru s PHE 110 N -1.84 2.64 0.11 1.78 0.08 -1.26 -5.00 117.98 114.49 2cru s PHE 110 Ca -0.08 0.46 0.06 0.00 0.12 0.00 0.00 56.93 57.49 2cru s PHE 110 Cb -0.00 -4.51 -0.03 0.00 -0.57 0.00 0.00 43.02 37.90 2cru s PHE 110 CO 0.04 -1.54 -0.15 1.21 -0.10 0.00 0.00 175.22 174.68 2cru s ASN 111 N 2.89 1.97 -0.28 1.36 2.47 -1.26 -5.15 114.94 116.94 2cru s ASN 111 Ca 0.44 -0.74 -0.22 0.00 0.42 0.00 0.00 52.86 52.75 2cru s ASN 111 Cb -0.07 -0.07 0.09 0.00 -1.45 0.00 0.00 41.25 39.74 2cru s ASN 111 CO 0.26 -0.10 0.79 0.00 -3.72 0.00 0.00 177.10 174.33 2cru s ARG 112 N -2.32 0.72 0.22 0.43 1.70 -1.26 -5.05 118.95 113.39 2cru s ARG 112 Ca 0.05 0.96 -0.16 0.00 -0.47 0.00 0.00 55.73 56.11 2cru s ARG 112 Cb -0.07 0.30 0.23 0.00 -0.57 0.00 0.00 34.95 34.83 2cru s ARG 112 CO 0.03 -0.10 1.58 0.77 -1.08 0.00 0.00 175.30 176.50 2cru h SER 113 N 5.37 -1.05 -1.63 -2.89 0.02 -2.06 -3.48 113.55 107.83 2cru h SER 113 Ca -0.29 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2cru h SER 113 Cb 1.18 0.58 0.00 0.00 0.14 0.00 0.00 62.40 64.30 2cru h SER 113 CO 0.09 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 176.11 2cru n GLY 114 N -1.47 0.81 0.17 -3.77 0.00 -1.26 -4.84 105.19 94.83 2cru n GLY 114 Ca 0.08 -2.02 0.02 0.00 0.00 0.00 0.00 46.02 44.10 2cru n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cru h PRO 115 N 3.15 0.00 -5.87 1.61 0.13 -2.02 -3.47 132.00 125.52 2cru h PRO 115 Ca 0.00 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.73 2cru h PRO 115 Cb 0.00 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.25 2cru h PRO 115 CO 0.00 0.44 -0.71 0.43 -0.23 0.00 0.00 178.00 177.93 2cru n SER 116 N -3.88 -5.34 -0.11 1.44 7.64 -1.26 -4.91 113.62 107.20 2cru n SER 116 Ca -0.01 -0.59 -0.19 0.00 1.01 0.00 0.00 58.87 59.09 2cru n SER 116 Cb 0.48 -4.90 -0.09 0.00 -1.01 0.00 0.00 64.21 58.70 2cru n SER 116 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2cru n SER 117 N -3.02 1.97 -0.37 6.43 2.88 -1.26 -5.29 113.62 114.96 2cru n SER 117 Ca -0.05 0.08 0.05 0.00 -1.33 0.00 0.00 58.87 57.62 2cru n SER 117 Cb 0.58 -0.48 0.04 0.00 -0.75 0.00 0.00 64.21 63.59 2cru n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42