#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 -0.68 0.01 1.61 0.15 -1.26 -5.07 113.70 108.46 2cru s SER 2 Ca 0.00 0.53 -0.25 0.00 0.70 0.00 0.00 55.95 56.93 2cru s SER 2 Cb 0.00 1.61 -0.14 0.00 -1.71 0.00 0.00 66.02 65.78 2cru s SER 2 CO 0.00 -0.13 1.06 -1.28 1.20 0.00 0.00 173.24 174.10 2cru h SER 3 N 7.89 -0.77 0.00 5.45 0.87 -2.14 -3.50 113.55 121.35 2cru h SER 3 Ca -0.16 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 2cru h SER 3 Cb 1.16 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2cru h SER 3 CO 0.02 -0.40 0.00 0.61 -0.53 0.00 0.00 176.83 176.53 2cru n GLY 4 N -0.57 2.04 3.03 5.77 0.00 -1.26 -5.15 105.19 109.05 2cru n GLY 4 Ca -0.11 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 0.64 0.00 1.61 0.15 -1.26 -5.06 113.70 109.79 2cru s SER 5 Ca 0.00 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2cru s SER 5 Cb 0.00 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.36 2cru s SER 5 CO 0.00 -0.22 0.00 -0.24 1.20 0.00 0.00 173.24 173.98 2cru n SER 6 N 1.57 0.25 0.00 5.45 2.88 -1.26 -5.17 113.62 117.34 2cru n SER 6 Ca -0.23 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 2cru n SER 6 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2cru n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cru n GLY 7 N 2.60 0.97 3.97 0.46 0.00 -1.26 -5.06 105.19 106.87 2cru n GLY 7 Ca 0.00 -2.12 -0.23 0.00 0.00 0.00 0.00 46.02 43.66 2cru n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2cru s LEU 8 N 0.00 3.04 -0.04 0.99 0.05 -1.26 -5.06 118.68 116.40 2cru s LEU 8 Ca 0.00 -0.03 -0.02 0.00 0.05 0.00 0.00 54.13 54.13 2cru s LEU 8 Cb 0.00 -2.57 -0.02 0.00 -2.05 0.00 0.00 46.19 41.55 2cru s LEU 8 CO 0.00 -1.58 -0.06 -1.14 -0.55 0.00 0.00 176.35 173.02 2cru n ARG 9 N -2.71 0.10 -3.60 1.48 0.63 -1.26 -4.91 116.66 106.39 2cru n ARG 9 Ca 0.11 0.04 -0.39 0.00 -0.92 0.00 0.00 57.85 56.69 2cru n ARG 9 Cb 0.60 -0.67 -0.07 0.00 0.45 0.00 0.00 32.46 32.78 2cru n ARG 9 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2cru s ARG 10 N -2.09 3.10 0.66 -0.14 3.52 -1.26 -5.07 118.95 117.66 2cru s ARG 10 Ca -0.07 -2.82 -0.17 0.00 -0.13 0.00 0.00 55.73 52.54 2cru s ARG 10 Cb 0.02 -3.98 -0.05 0.00 -1.56 0.00 0.00 34.95 29.38 2cru s ARG 10 CO 0.08 -1.23 0.61 0.00 -0.81 0.00 0.00 175.30 173.95 2cru n GLN 11 N 3.12 0.45 -4.38 5.12 10.64 -1.26 -5.02 117.38 126.05 2cru n GLN 11 Ca 0.15 0.19 -0.19 0.00 -1.83 0.00 0.00 57.00 55.32 2cru n GLN 11 Cb 0.39 -1.85 -0.10 0.00 -0.86 0.00 0.00 30.24 27.81 2cru n GLN 11 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 2cru s ARG 12 N -2.58 1.52 -0.10 2.61 1.04 -1.26 -5.16 118.95 115.02 2cru s ARG 12 Ca 0.68 -1.84 -0.05 0.00 -1.04 0.00 0.00 55.73 53.49 2cru s ARG 12 Cb -0.39 -0.54 0.05 0.00 -2.04 0.00 0.00 34.95 32.03 2cru s ARG 12 CO 0.55 -0.25 0.22 -1.17 -0.04 0.00 0.00 175.30 174.61 2cru s LEU 13 N -3.39 0.38 -0.20 -1.89 2.96 -1.26 -5.13 118.68 110.15 2cru s LEU 13 Ca 0.37 0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 54.75 2cru s LEU 13 Cb 0.08 0.64 0.05 0.00 0.50 0.00 0.00 46.19 47.47 2cru s LEU 13 CO 0.15 -0.17 -0.02 0.00 -1.32 0.00 0.00 176.35 174.99 2cru s ALA 14 N 1.40 1.43 0.32 5.97 0.00 -1.26 -5.13 121.76 124.49 2cru s ALA 14 Ca -0.08 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 50.99 2cru s ALA 14 Cb -0.11 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.74 2cru s ALA 14 CO -0.08 -1.05 0.13 -1.83 0.00 0.00 0.00 175.76 172.93 2cru s GLU 15 N 1.65 1.63 0.14 0.00 -1.05 -1.26 -5.17 118.70 114.63 2cru s GLU 15 Ca -0.02 -1.93 0.09 0.00 -0.15 0.00 0.00 54.97 52.96 2cru s GLU 15 Cb -0.17 -0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.18 2cru s GLU 15 CO -0.07 -0.40 -0.22 -0.48 0.95 0.00 0.00 175.26 175.04 2cru s LEU 16 N -3.42 2.36 -0.10 1.83 2.34 -1.26 -5.14 118.68 115.29 2cru s LEU 16 Ca 0.34 -0.77 0.01 0.00 0.06 0.00 0.00 54.13 53.78 2cru s LEU 16 Cb 0.05 -0.98 -0.02 0.00 -0.56 0.00 0.00 46.19 44.69 2cru s LEU 16 CO 0.16 0.07 -0.15 -1.58 -1.06 0.00 0.00 176.35 173.79 2cru s GLN 17 N -2.26 3.11 0.05 1.48 0.74 -1.26 -5.12 119.66 116.40 2cru s GLN 17 Ca 0.12 -0.71 0.03 0.00 0.05 0.00 0.00 55.36 54.85 2cru s GLN 17 Cb -0.09 -2.52 -0.03 0.00 1.10 0.00 0.00 33.01 31.47 2cru s GLN 17 CO 0.06 0.32 -0.10 0.00 -0.55 0.00 0.00 175.29 175.02 2cru s ALA 18 N 0.06 0.80 0.08 1.58 0.00 -1.26 -5.07 121.76 117.95 2cru s ALA 18 Ca -0.06 -0.87 -0.33 0.00 0.00 0.00 0.00 51.96 50.70 2cru s ALA 18 Cb -0.15 -0.00 -0.16 0.00 0.00 0.00 0.00 23.12 22.81 2cru s ALA 18 CO 0.05 0.04 1.52 0.87 0.00 0.00 0.00 175.76 178.23 2cru h LYS 19 N 4.38 -0.92 -0.95 0.00 1.57 -2.03 -2.41 116.57 116.21 2cru h LYS 19 Ca -0.38 0.06 0.29 0.00 -1.87 0.00 0.00 60.65 58.75 2cru h LYS 19 Cb 1.20 0.21 -0.16 0.00 0.08 0.00 0.00 32.23 33.55 2cru h LYS 19 CO 0.41 -0.61 0.23 0.45 -0.57 0.00 0.00 179.45 179.36 2cru h HIS 20 N -0.96 0.32 -5.03 -1.35 3.86 -2.05 -3.46 115.15 106.49 2cru h HIS 20 Ca -0.06 0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 2cru h HIS 20 Cb 0.82 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.31 2cru h HIS 20 CO -0.23 -0.34 -0.08 0.41 0.86 0.00 0.00 177.93 178.56 2cru n GLY 21 N -1.39 -1.13 3.16 2.45 0.00 -0.91 -5.05 105.19 102.31 2cru n GLY 21 Ca 0.26 0.50 -0.22 0.00 0.00 0.00 0.00 46.02 46.56 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 -2.77 1.84 0.02 1.61 -4.77 -1.26 -5.06 116.67 106.28 2cru s ASP 22 Ca 0.04 -0.42 -0.22 0.00 -3.30 0.00 0.00 52.55 48.65 2cru s ASP 22 Cb -0.01 -0.15 -0.16 0.00 -1.09 0.00 0.00 42.92 41.51 2cru s ASP 22 CO 0.65 0.10 1.32 1.55 0.70 0.00 0.00 175.17 179.49 2cru h PRO 23 N 5.15 0.25 0.00 2.11 0.13 -2.00 -3.48 132.00 134.15 2cru h PRO 23 Ca -0.38 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2cru h PRO 23 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2cru h PRO 23 CO 0.45 0.67 0.00 0.41 -0.23 0.00 0.00 178.00 179.30 2cru n GLY 24 N 0.21 2.65 0.39 1.56 0.00 -1.26 -2.55 105.19 106.19 2cru n GLY 24 Ca -0.07 -0.32 0.21 0.00 0.00 0.00 0.00 46.02 45.84 2cru n GLY 24 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2cru h ASP 25 N 2.60 0.51 -0.99 1.61 3.04 -1.99 -0.10 116.42 121.08 2cru h ASP 25 Ca 0.00 0.09 0.36 0.00 -3.24 0.00 0.00 57.03 54.24 2cru h ASP 25 Cb 0.00 0.01 -0.17 0.00 -1.04 0.00 0.00 39.33 38.13 2cru h ASP 25 CO 0.00 0.11 0.50 0.00 -2.04 0.00 0.00 179.24 177.82 2cru h ALA 26 N 1.64 1.98 0.01 4.15 0.00 -1.89 0.14 119.26 125.28 2cru h ALA 26 Ca 0.59 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.74 2cru h ALA 26 Cb 1.38 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2cru h ALA 26 CO -0.32 -0.76 -0.00 0.00 0.00 0.00 0.00 179.25 178.17 2cru h ALA 27 N 1.93 -0.02 -0.92 0.00 0.00 -1.22 -2.95 119.26 116.08 2cru h ALA 27 Ca 0.77 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.85 2cru h ALA 27 Cb 1.90 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 19.53 2cru h ALA 27 CO -0.71 -0.02 -0.27 0.94 0.00 0.00 0.00 179.25 179.19 2cru n GLN 28 N -3.47 -0.13 -0.08 0.00 -0.06 -0.90 0.69 117.38 113.44 2cru n GLN 28 Ca -0.00 1.43 -0.09 0.00 -2.00 0.00 0.00 57.00 56.33 2cru n GLN 28 Cb 0.00 -2.13 -0.02 0.00 -4.06 0.00 0.00 30.24 24.03 2cru n GLN 28 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 2cru h GLN 29 N 0.00 0.39 -0.11 3.69 4.20 -0.91 -2.68 115.11 119.68 2cru h GLN 29 Ca 0.40 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 59.12 2cru h GLN 29 Cb 0.63 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.27 2cru h GLN 29 CO -0.94 0.29 -0.23 1.49 -0.67 0.00 0.00 178.83 178.77 2cru h GLU 30 N 0.37 -0.29 0.00 1.46 4.81 0.45 0.13 114.58 121.51 2cru h GLU 30 Ca 0.10 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2cru h GLU 30 Cb -0.01 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2cru h GLU 30 CO -0.02 -0.20 0.00 0.00 -0.73 0.00 0.00 179.01 178.06 2cru n ALA 31 N -2.70 -0.26 -0.34 2.92 0.00 -0.14 -1.68 120.51 118.31 2cru n ALA 31 Ca -0.03 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.62 2cru n ALA 31 Cb 0.27 0.23 0.45 0.00 0.00 0.00 0.00 19.45 20.40 2cru n ALA 31 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2cru h LYS 32 N 0.00 0.45 -0.34 0.00 2.10 -1.43 0.63 116.57 117.97 2cru h LYS 32 Ca 0.00 -0.03 0.07 0.00 -2.00 0.00 0.00 60.65 58.69 2cru h LYS 32 Cb 0.00 -0.10 -0.06 0.00 -0.90 0.00 0.00 32.23 31.17 2cru h LYS 32 CO 0.00 0.30 -0.07 1.25 -2.00 0.00 0.00 179.45 178.93 2cru h HIS 33 N 0.46 -0.14 -0.70 0.07 2.76 0.01 -1.72 115.15 115.89 2cru h HIS 33 Ca 0.65 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.90 2cru h HIS 33 Cb 1.45 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 30.47 2cru h HIS 33 CO -0.01 -0.13 0.42 0.00 -1.30 0.00 0.00 177.93 176.92 2cru h ARG 34 N 0.02 0.78 -0.65 5.26 2.47 0.05 -0.92 114.38 121.39 2cru h ARG 34 Ca 0.17 -0.05 0.19 0.00 -1.26 0.00 0.00 59.98 59.03 2cru h ARG 34 Cb 0.25 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 2cru h ARG 34 CO -0.34 0.52 0.50 1.49 0.56 0.00 0.00 179.97 182.70 2cru h GLU 35 N 0.81 0.00 0.00 0.04 4.57 -1.06 0.67 114.58 119.61 2cru h GLU 35 Ca 0.30 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 2cru h GLU 35 Cb 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2cru h GLU 35 CO -0.14 0.00 -0.52 0.00 -1.18 0.00 0.00 179.01 177.17 2cru h ALA 36 N 1.60 0.73 0.10 2.92 0.00 -0.93 -3.05 119.26 120.64 2cru h ALA 36 Ca 0.31 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.96 2cru h ALA 36 Cb 1.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2cru h ALA 36 CO -0.00 0.00 -1.33 0.93 0.00 0.00 0.00 179.25 178.85 2cru h GLU 37 N 0.00 0.22 -0.29 0.00 4.39 0.58 -2.99 114.58 116.49 2cru h GLU 37 Ca 0.00 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 59.22 2cru h GLU 37 Cb 0.96 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2cru h GLU 37 CO 0.00 1.18 -0.25 0.00 -1.16 0.00 0.00 179.01 178.78 2cru h MET 38 N -0.38 0.56 -0.03 2.33 -0.00 -0.99 0.37 114.93 116.78 2cru h MET 38 Ca -0.29 -0.22 -0.16 0.00 -0.00 0.00 0.00 59.70 59.03 2cru h MET 38 Cb 1.70 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 33.25 2cru h MET 38 CO 0.04 0.77 -0.70 0.07 -0.00 0.00 0.00 176.91 177.09 2cru h ARG 39 N 0.49 0.17 0.00 -0.10 0.11 -1.68 0.61 114.38 113.98 2cru h ARG 39 Ca 0.07 -0.14 -0.18 0.00 0.10 0.00 0.00 59.98 59.83 2cru h ARG 39 Cb 0.70 0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.78 2cru h ARG 39 CO 0.05 0.80 -1.15 -0.91 0.10 0.00 0.00 179.97 178.85 2cru h ASN 40 N 0.11 0.00 0.15 0.08 2.35 -1.35 -3.08 115.58 113.85 2cru h ASN 40 Ca -0.02 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.47 2cru h ASN 40 Cb 1.24 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.62 2cru h ASN 40 CO 0.10 0.72 -1.24 0.28 -1.65 0.00 0.00 177.43 175.64 2cru h SER 41 N 0.00 0.51 0.25 5.81 0.02 -0.24 -2.61 113.55 117.29 2cru h SER 41 Ca -0.12 -0.91 -0.07 0.00 -0.84 0.00 0.00 61.79 59.85 2cru h SER 41 Cb 1.65 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 64.01 2cru h SER 41 CO 0.07 1.57 -0.31 0.40 -1.14 0.00 0.00 176.83 177.42 2cru h ILE 42 N -0.22 1.24 0.00 3.27 2.04 -1.02 -2.01 117.51 120.81 2cru h ILE 42 Ca -0.24 -1.16 -0.22 0.00 1.00 0.00 0.00 64.86 64.24 2cru h ILE 42 Cb 1.82 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 39.42 2cru h ILE 42 CO 0.14 0.34 -1.08 -0.07 0.00 0.00 0.00 178.15 177.48 2cru h LEU 43 N 0.09 0.00 -0.70 1.44 3.38 -1.64 -2.65 115.31 115.22 2cru h LEU 43 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2cru h LEU 43 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2cru h LEU 43 CO 0.04 0.99 -0.49 0.00 0.09 0.00 0.00 178.44 179.08 2cru h ALA 44 N 1.01 0.89 0.12 1.53 0.00 -1.15 -0.42 119.26 121.24 2cru h ALA 44 Ca -0.04 -0.44 -0.31 0.00 0.00 0.00 0.00 54.91 54.11 2cru h ALA 44 Cb 1.79 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 2cru h ALA 44 CO 0.12 0.61 -1.59 -0.56 0.00 0.00 0.00 179.25 177.83 2cru h GLN 45 N 0.00 0.25 0.00 0.00 3.07 -1.42 -3.33 115.11 113.68 2cru h GLN 45 Ca -0.00 -0.43 -0.01 0.00 0.09 0.00 0.00 58.65 58.30 2cru h GLN 45 Cb 1.07 0.16 -0.00 0.00 0.08 0.00 0.00 27.48 28.79 2cru h GLN 45 CO 0.06 1.11 -0.17 -0.39 0.09 0.00 0.00 178.83 179.53 2cru h VAL 46 N 0.07 0.06 -3.44 1.86 -1.51 -1.47 -3.44 116.25 108.37 2cru h VAL 46 Ca -0.27 -1.09 -0.65 0.00 -1.23 0.00 0.00 66.70 63.47 2cru h VAL 46 Cb 2.02 1.96 -0.24 0.00 -2.13 0.00 0.00 31.29 32.91 2cru h VAL 46 CO 0.15 0.03 -0.68 -0.76 -1.23 0.00 0.00 177.57 175.09 2cru s LEU 47 N -6.11 3.16 1.13 4.19 1.43 -0.17 -1.10 118.68 121.21 2cru s LEU 47 Ca 0.06 -0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 52.74 2cru s LEU 47 Cb 0.06 -1.80 0.25 0.00 0.03 0.00 0.00 46.19 44.73 2cru s LEU 47 CO 0.69 0.04 1.11 -0.62 0.23 0.00 0.00 176.35 177.80 2cru s ASP 48 N 1.14 1.54 0.09 2.29 -1.08 -0.63 -4.68 116.67 115.34 2cru s ASP 48 Ca 0.02 0.79 -0.24 0.00 -0.52 0.00 0.00 52.55 52.61 2cru s ASP 48 Cb -0.14 -1.17 -0.14 0.00 -1.46 0.00 0.00 42.92 40.01 2cru s ASP 48 CO 0.01 -3.76 1.72 -0.61 0.52 0.00 0.00 175.17 173.05 2cru h GLN 49 N -2.33 -0.10 -0.20 4.34 4.15 -1.91 0.07 115.11 119.12 2cru h GLN 49 Ca -0.48 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.00 2cru h GLN 49 Cb 1.31 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.95 2cru h GLN 49 CO 0.42 -0.07 -0.38 0.77 -1.93 0.00 0.00 178.83 177.64 2cru h SER 50 N -0.10 -1.22 0.13 -0.69 0.02 -1.93 -2.36 113.55 107.40 2cru h SER 50 Ca 0.00 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2cru h SER 50 Cb 0.10 0.52 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2cru h SER 50 CO -0.01 -0.39 -0.10 0.00 -1.14 0.00 0.00 176.83 175.19 2cru h ALA 51 N 0.32 -0.22 -0.79 3.77 0.00 -1.74 -2.92 119.26 117.67 2cru h ALA 51 Ca 0.10 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2cru h ALA 51 Cb 0.59 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.39 2cru h ALA 51 CO -0.43 -0.64 -0.28 0.54 0.00 0.00 0.00 179.25 178.44 2cru n ARG 52 N -5.22 -0.16 -0.12 0.00 5.12 0.00 0.13 116.66 116.41 2cru n ARG 52 Ca -0.08 1.21 -0.07 0.00 -1.93 0.00 0.00 57.85 56.99 2cru n ARG 52 Cb 0.14 -1.80 0.01 0.00 -1.16 0.00 0.00 32.46 29.65 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 1.18 0.49 0.21 7.54 0.00 -1.30 -1.57 119.26 125.81 2cru h ALA 53 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2cru h ALA 53 Cb 0.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2cru h ALA 53 CO -0.79 -0.13 -0.11 -0.09 0.00 0.00 0.00 179.25 178.13 2cru h ARG 54 N 0.44 -0.29 -0.44 0.00 9.65 0.12 -1.62 114.38 122.23 2cru h ARG 54 Ca 0.16 0.02 0.08 0.00 -1.10 0.00 0.00 59.98 59.14 2cru h ARG 54 Cb 0.04 0.07 -0.08 0.00 -1.39 0.00 0.00 29.97 28.61 2cru h ARG 54 CO -0.09 -0.20 -0.04 1.25 2.80 0.00 0.00 179.97 183.70 2cru h LEU 55 N -0.30 -0.26 -0.23 3.80 5.85 -0.37 -1.92 115.31 121.88 2cru h LEU 55 Ca -0.03 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2cru h LEU 55 Cb 0.24 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2cru h LEU 55 CO 0.04 -0.09 0.01 0.28 -0.34 0.00 0.00 178.44 178.34 2cru h SER 56 N 0.07 -0.07 -0.94 1.25 0.02 -1.10 -1.00 113.55 111.79 2cru h SER 56 Ca 0.22 0.05 0.26 0.00 -0.84 0.00 0.00 61.79 61.48 2cru h SER 56 Cb 0.32 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 2cru h SER 56 CO -0.39 -0.01 0.66 0.78 -1.14 0.00 0.00 176.83 176.74 2cru h ASN 57 N 0.08 0.06 1.01 3.07 2.35 -0.51 0.68 115.58 122.32 2cru h ASN 57 Ca 0.11 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 2cru h ASN 57 Cb 0.13 -0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2cru h ASN 57 CO -0.18 0.02 -0.61 0.25 -1.65 0.00 0.00 177.43 175.27 2cru h LEU 58 N 0.06 0.00 0.00 1.61 5.85 -0.78 -3.00 115.31 119.04 2cru h LEU 58 Ca 0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.17 2cru h LEU 58 Cb 1.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.74 2cru h LEU 58 CO -0.04 0.61 0.00 0.00 -0.34 0.00 0.00 178.44 178.67 2cru n ALA 59 N -2.31 1.55 -0.03 1.25 0.00 0.24 -1.66 120.51 119.53 2cru n ALA 59 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 2cru n ALA 59 Cb 0.69 -1.15 -0.01 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.34 0.87 -0.32 0.00 4.77 -1.14 -4.17 117.00 115.67 2cru n LEU 60 Ca 0.04 0.14 0.14 0.00 -0.03 0.00 0.00 56.01 56.30 2cru n LEU 60 Cb 0.08 -0.55 0.37 0.00 -2.33 0.00 0.00 43.42 40.99 2cru n LEU 60 CO 0.07 -0.43 1.21 1.62 -1.33 0.00 0.00 177.39 178.54 2cru h VAL 61 N -0.41 0.72 -0.47 4.08 3.04 -1.59 -3.40 116.25 118.23 2cru h VAL 61 Ca 0.00 -0.24 0.19 0.00 -1.01 0.00 0.00 66.70 65.64 2cru h VAL 61 Cb 0.41 -0.03 -0.20 0.00 -2.01 0.00 0.00 31.29 29.46 2cru h VAL 61 CO 0.00 0.13 -0.03 -1.59 -1.01 0.00 0.00 177.57 175.06 2cru s LYS 62 N -5.74 0.26 0.04 4.17 -2.85 -0.67 -5.06 119.74 109.90 2cru s LYS 62 Ca -0.10 0.36 -0.20 0.00 -1.00 0.00 0.00 55.97 55.03 2cru s LYS 62 Cb 0.24 0.19 -0.14 0.00 -2.06 0.00 0.00 37.83 36.06 2cru s LYS 62 CO 0.80 -0.39 1.35 -1.00 0.10 0.00 0.00 175.35 176.20 2cru h PRO 63 N 7.73 0.36 -0.76 1.78 0.13 -1.72 -3.23 132.00 136.30 2cru h PRO 63 Ca -0.11 -0.19 0.27 0.00 -0.87 0.00 0.00 66.00 65.10 2cru h PRO 63 Cb 1.18 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2cru h PRO 63 CO -0.02 0.74 0.23 -0.85 -0.23 0.00 0.00 178.00 177.87 2cru n GLU 64 N -4.55 -0.05 0.02 0.86 0.28 -1.26 0.13 120.64 116.06 2cru n GLU 64 Ca -0.06 1.10 -0.13 0.00 -0.16 0.00 0.00 57.16 57.91 2cru n GLU 64 Cb 0.36 -1.86 -0.09 0.00 1.43 0.00 0.00 31.44 31.28 2cru n GLU 64 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 2cru h LYS 65 N 0.00 -0.05 -0.33 3.44 1.63 -1.91 -3.07 116.57 116.29 2cru h LYS 65 Ca 0.56 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.39 2cru h LYS 65 Cb 1.36 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.99 2cru h LYS 65 CO -0.65 0.33 0.22 1.15 -3.45 0.00 0.00 179.45 177.05 2cru h THR 66 N -0.45 1.03 -0.40 1.00 2.02 0.10 -2.36 112.91 113.86 2cru h THR 66 Ca -0.01 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.10 2cru h THR 66 Cb 0.41 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 2cru h THR 66 CO 0.01 0.07 0.11 0.50 0.37 0.00 0.00 175.52 176.58 2cru h LYS 67 N 0.36 0.25 0.53 6.66 1.63 -0.37 -1.02 116.57 124.61 2cru h LYS 67 Ca 0.13 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.90 2cru h LYS 67 Cb 0.08 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 2cru h LYS 67 CO -0.03 0.17 -0.38 0.00 -3.45 0.00 0.00 179.45 175.76 2cru h ALA 68 N 1.28 -0.90 0.07 5.00 0.00 -1.41 -2.92 119.26 120.38 2cru h ALA 68 Ca 0.19 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2cru h ALA 68 Cb 0.19 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2cru h ALA 68 CO -0.21 -1.03 -0.29 0.28 0.00 0.00 0.00 179.25 178.00 2cru h VAL 69 N -0.88 0.00 -0.81 0.00 2.07 -1.46 0.28 116.25 115.45 2cru h VAL 69 Ca -0.06 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.78 2cru h VAL 69 Cb 0.73 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.38 2cru h VAL 69 CO 0.03 0.00 0.46 -0.62 0.02 0.00 0.00 177.57 177.46 2cru n GLU 70 N -4.09 -0.04 0.10 1.57 1.02 -0.41 0.22 120.64 119.01 2cru n GLU 70 Ca -0.05 1.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.86 2cru n GLU 70 Cb 0.23 -1.84 -0.15 0.00 -0.02 0.00 0.00 31.44 29.66 2cru n GLU 70 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2cru h ASN 71 N 0.00 0.68 -0.72 1.62 -1.24 -1.04 -3.16 115.58 111.72 2cru h ASN 71 Ca 0.64 -0.92 0.04 0.00 0.71 0.00 0.00 56.30 56.77 2cru h ASN 71 Cb 1.77 -0.22 -0.05 0.00 0.73 0.00 0.00 38.32 40.55 2cru h ASN 71 CO -0.52 1.66 0.44 0.22 -1.29 0.00 0.00 177.43 177.94 2cru h TYR 72 N -0.01 0.82 0.88 0.67 3.20 0.63 -2.85 116.97 120.30 2cru h TYR 72 Ca -0.26 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.59 2cru h TYR 72 Cb 2.01 -0.26 0.01 0.00 1.54 0.00 0.00 36.73 40.03 2cru h TYR 72 CO 0.14 0.44 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.60 2cru h LEU 73 N 0.83 -1.00 -0.85 2.82 3.38 -0.80 -2.92 115.31 116.77 2cru h LEU 73 Ca 0.31 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.47 2cru h LEU 73 Cb 0.10 0.26 -0.15 0.00 0.09 0.00 0.00 40.66 40.95 2cru h LEU 73 CO -0.14 -0.65 -0.24 -0.38 0.09 0.00 0.00 178.44 177.12 2cru n ILE 74 N -5.56 -0.38 -0.14 1.22 5.41 -1.16 0.12 119.36 118.88 2cru n ILE 74 Ca -0.15 1.95 -0.04 0.00 1.00 0.00 0.00 62.75 65.51 2cru n ILE 74 Cb 0.47 -2.66 0.04 0.00 -0.71 0.00 0.00 39.64 36.78 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 0.28 -0.06 0.38 4.20 -1.45 -0.25 115.11 118.21 2cru h GLN 75 Ca 0.38 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.05 2cru h GLN 75 Cb 0.59 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 2cru h GLN 75 CO -0.86 0.18 -0.05 0.52 -0.67 0.00 0.00 178.83 177.96 2cru h MET 76 N 0.29 0.08 0.30 1.46 2.86 0.11 -2.86 114.93 117.16 2cru h MET 76 Ca 0.21 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 2cru h MET 76 Cb 0.23 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2cru h MET 76 CO -0.24 0.14 -0.14 0.00 1.06 0.00 0.00 176.91 177.73 2cru h ALA 77 N 1.88 -0.40 -0.85 6.32 0.00 0.56 0.54 119.26 127.30 2cru h ALA 77 Ca 0.02 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.95 2cru h ALA 77 Cb 0.14 0.15 -0.16 0.00 0.00 0.00 0.00 17.79 17.92 2cru h ALA 77 CO 0.01 -0.43 -0.10 0.00 0.00 0.00 0.00 179.25 178.73 2cru h ARG 78 N -0.99 0.03 0.00 0.00 3.08 -1.01 1.40 114.38 116.90 2cru h ARG 78 Ca -0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2cru h ARG 78 Cb 0.48 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2cru h ARG 78 CO 0.07 0.02 0.00 1.88 -1.07 0.00 0.00 179.97 180.87 2cru h TYR 79 N 0.03 0.00 -1.30 3.04 -1.99 -1.58 -3.47 116.97 111.70 2cru h TYR 79 Ca 0.45 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.96 2cru h TYR 79 Cb 0.77 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 39.47 2cru h TYR 79 CO -0.56 0.00 -0.26 0.41 -0.00 0.00 0.00 178.16 177.76 2cru n GLY 80 N 0.91 0.19 0.11 3.88 0.00 0.48 -4.90 105.19 105.86 2cru n GLY 80 Ca 0.04 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.73 2cru n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cru n GLN 81 N -2.16 0.25 -1.85 1.61 10.64 0.06 -4.81 117.38 121.12 2cru n GLN 81 Ca -0.12 0.24 -0.42 0.00 -1.83 0.00 0.00 57.00 54.87 2cru n GLN 81 Cb 0.54 -1.81 -0.03 0.00 -0.86 0.00 0.00 30.24 28.09 2cru n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2cru s LEU 82 N -4.49 4.38 0.06 2.61 1.43 -1.20 -4.92 118.68 116.55 2cru s LEU 82 Ca 0.10 2.52 -0.34 0.00 -1.03 0.00 0.00 54.13 55.38 2cru s LEU 82 Cb 0.12 -3.55 -0.19 0.00 0.03 0.00 0.00 46.19 42.60 2cru s LEU 82 CO 0.57 -0.96 1.54 -1.28 0.23 0.00 0.00 176.35 176.45 2cru h SER 83 N 9.27 -0.90 -5.10 2.29 0.87 -1.96 -3.48 113.55 114.54 2cru h SER 83 Ca -0.44 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.23 2cru h SER 83 Cb 1.21 0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 63.35 2cru h SER 83 CO 0.94 -0.62 0.32 -1.83 -0.53 0.00 0.00 176.83 175.11 2cru s GLU 84 N -5.84 1.67 -0.49 2.24 -1.05 -1.26 -5.11 118.70 108.87 2cru s GLU 84 Ca -0.18 -0.96 -0.46 0.00 -0.15 0.00 0.00 54.97 53.22 2cru s GLU 84 Cb 0.03 0.55 -0.19 0.00 -0.44 0.00 0.00 34.13 34.07 2cru s GLU 84 CO 0.59 -0.77 1.75 1.63 0.95 0.00 0.00 175.26 179.41 2cru n LYS 85 N -0.48 0.06 -2.26 -4.83 5.02 -1.26 -4.82 118.16 109.58 2cru n LYS 85 Ca -0.05 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 2cru n LYS 85 Cb 0.60 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 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 3.84 3.72 0.42 -0.18 1.01 -0.26 -4.70 120.40 124.24 2cru s VAL 86 Ca 1.09 1.15 0.08 0.00 0.00 0.00 0.00 61.98 64.29 2cru s VAL 86 Cb -1.48 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 31.17 2cru s VAL 86 CO 0.77 0.03 0.53 -0.94 0.00 0.00 0.00 175.10 175.49 2cru s SER 87 N 1.61 5.56 0.10 3.32 1.04 -1.26 -1.60 113.70 122.45 2cru s SER 87 Ca 0.63 -0.47 -0.19 0.00 0.48 0.00 0.00 55.95 56.39 2cru s SER 87 Cb -0.32 -0.66 -0.04 0.00 0.10 0.00 0.00 66.02 65.10 2cru s SER 87 CO 0.27 -0.73 1.14 1.21 0.98 0.00 0.00 173.24 176.11 2cru n GLU 88 N -1.79 -0.27 -0.14 4.02 2.13 -1.26 -0.75 120.64 122.57 2cru n GLU 88 Ca 0.07 1.12 -0.06 0.00 0.66 0.00 0.00 57.16 58.95 2cru n GLU 88 Cb 0.59 -1.65 -0.05 0.00 0.27 0.00 0.00 31.44 30.61 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 -0.07 -0.19 5.31 4.20 -1.98 0.19 115.11 122.57 2cru h GLN 89 Ca 0.10 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.86 2cru h GLN 89 Cb 0.25 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.97 2cru h GLN 89 CO -0.57 -0.05 -0.45 0.78 -0.67 0.00 0.00 178.83 177.87 2cru h GLY 90 N -0.07 -0.75 -0.27 3.46 0.00 -1.47 -2.45 103.07 101.51 2cru h GLY 90 Ca 0.06 0.56 0.03 0.00 0.00 0.00 0.00 47.33 47.98 2cru h GLY 90 CO -0.37 -0.21 -0.33 -2.00 0.00 0.00 0.00 176.54 173.63 2cru h LEU 91 N -0.47 -1.10 -1.00 3.11 5.85 -0.18 0.15 115.31 121.66 2cru h LEU 91 Ca 0.08 0.15 0.39 0.00 0.84 0.00 0.00 57.88 59.34 2cru h LEU 91 Cb 0.63 0.46 -0.18 0.00 0.37 0.00 0.00 40.66 41.94 2cru h LEU 91 CO -0.45 -0.22 0.47 0.40 -0.34 0.00 0.00 178.44 178.30 2cru h ILE 92 N -0.21 0.03 -0.18 4.05 2.04 -0.72 1.88 117.51 124.41 2cru h ILE 92 Ca 0.05 -0.01 -0.12 0.00 1.00 0.00 0.00 64.86 65.78 2cru h ILE 92 Cb 0.33 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2cru h ILE 92 CO -0.37 0.01 -0.41 -0.33 0.00 0.00 0.00 178.15 177.05 2cru h GLU 93 N 0.03 0.41 -0.34 2.37 5.08 -0.32 -2.99 114.58 118.82 2cru h GLU 93 Ca 0.80 -0.20 -0.11 0.00 -1.00 0.00 0.00 59.36 58.86 2cru h GLU 93 Cb 2.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.29 2cru h GLU 93 CO -0.77 0.75 -0.22 0.82 -1.00 0.00 0.00 179.01 178.58 2cru h ILE 94 N 0.34 1.27 0.00 3.13 2.04 0.44 -2.14 117.51 122.59 2cru h ILE 94 Ca 0.03 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.60 2cru h ILE 94 Cb 0.86 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2cru h ILE 94 CO 0.07 0.43 0.00 0.18 0.00 0.00 0.00 178.15 178.83 2cru n LEU 95 N -4.12 0.27 -0.00 1.44 4.77 -0.45 -0.13 117.00 118.77 2cru n LEU 95 Ca 0.00 0.58 0.08 0.00 -0.03 0.00 0.00 56.01 56.64 2cru n LEU 95 Cb 0.42 -0.55 -0.12 0.00 -2.33 0.00 0.00 43.42 40.84 2cru n LEU 95 CO 0.43 -0.45 -0.35 0.29 -1.33 0.00 0.00 177.39 175.98 2cru n LYS 96 N -1.81 0.96 -0.11 3.23 5.02 -0.85 -3.87 118.16 120.74 2cru n LYS 96 Ca 0.02 -0.08 -0.13 0.00 -2.02 0.00 0.00 58.31 56.11 2cru n LYS 96 Cb 0.16 -1.36 -0.14 0.00 -0.02 0.00 0.00 35.03 33.67 2cru n LYS 96 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2cru n LYS 97 N -1.74 0.76 0.14 1.97 2.85 -0.70 -4.40 118.16 117.04 2cru n LYS 97 Ca 0.00 0.05 0.01 0.00 -1.05 0.00 0.00 58.31 57.33 2cru n LYS 97 Cb 0.36 -1.49 0.06 0.00 -0.65 0.00 0.00 35.03 33.30 2cru n LYS 97 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 177.40 177.11 2cru h VAL 98 N 0.00 1.02 -0.63 0.58 3.04 -0.75 -2.97 116.25 116.53 2cru h VAL 98 Ca -0.53 -2.29 0.10 0.00 -1.01 0.00 0.00 66.70 62.97 2cru h VAL 98 Cb 2.05 2.40 -0.12 0.00 -2.01 0.00 0.00 31.29 33.62 2cru h VAL 98 CO -0.02 0.55 -0.37 -1.28 -1.01 0.00 0.00 177.57 175.45 2cru h SER 99 N 0.00 -1.28 0.06 3.17 0.87 -1.75 -2.84 113.55 111.78 2cru h SER 99 Ca -0.01 0.24 -0.14 0.00 -1.23 0.00 0.00 61.79 60.65 2cru h SER 99 Cb 1.36 0.62 -0.00 0.00 -0.44 0.00 0.00 62.40 63.94 2cru h SER 99 CO 0.07 -0.31 -0.70 1.56 -0.53 0.00 0.00 176.83 176.92 2cru h GLN 100 N -0.16 0.12 -5.71 2.24 4.20 -1.83 -3.40 115.11 110.56 2cru h GLN 100 Ca 0.23 -0.20 -0.54 0.00 0.06 0.00 0.00 58.65 58.19 2cru h GLN 100 Cb 0.56 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.35 2cru h GLN 100 CO -0.71 1.10 1.76 -0.65 -0.67 0.00 0.00 178.83 179.65 2cru s GLN 101 N -2.35 3.40 -0.29 1.46 -0.21 -1.07 -4.80 119.66 115.80 2cru s GLN 101 Ca -0.20 -1.66 -0.15 0.00 0.02 0.00 0.00 55.36 53.37 2cru s GLN 101 Cb 0.01 -5.42 0.15 0.00 1.00 0.00 0.00 33.01 28.75 2cru s GLN 101 CO 0.72 -2.93 0.97 -0.08 -2.12 0.00 0.00 175.29 171.85 2cru s THR 102 N 6.88 -0.27 -0.10 -0.19 -1.32 -1.23 -4.60 115.64 114.81 2cru s THR 102 Ca 0.59 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.93 2cru s THR 102 Cb 0.02 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.05 2cru s THR 102 CO 0.10 0.00 0.37 -1.61 -2.21 0.00 0.00 174.62 171.27 2cru s GLU 103 N 1.93 0.53 -0.51 7.08 0.41 -1.26 -5.09 118.70 121.78 2cru s GLU 103 Ca -0.06 0.32 -0.18 0.00 -0.41 0.00 0.00 54.97 54.64 2cru s GLU 103 Cb -0.05 0.25 0.07 0.00 -1.78 0.00 0.00 34.13 32.62 2cru s GLU 103 CO -0.16 -0.10 0.59 0.21 -0.49 0.00 0.00 175.26 175.31 2cru s LYS 104 N -0.28 3.08 0.34 1.61 2.47 -1.26 -5.02 119.74 120.69 2cru s LYS 104 Ca -0.04 -1.06 0.07 0.00 -1.56 0.00 0.00 55.97 53.38 2cru s LYS 104 Cb -0.03 -4.13 -0.03 0.00 -1.46 0.00 0.00 37.83 32.18 2cru s LYS 104 CO 0.02 -1.23 0.26 0.25 0.16 0.00 0.00 175.35 174.81 2cru n THR 105 N 5.52 0.00 -3.32 3.43 -2.24 -1.26 -4.90 114.28 111.51 2cru n THR 105 Ca -0.08 -2.44 -0.19 0.00 -2.27 0.00 0.00 64.05 59.06 2cru n THR 105 Cb 0.44 1.17 0.06 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.68 -2.32 -3.89 4.28 -1.04 -1.26 -4.98 114.28 104.39 2cru n THR 106 Ca 0.06 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.77 2cru n THR 106 Cb 0.61 -3.46 -0.13 0.00 -1.82 0.00 0.00 70.33 65.53 2cru n THR 106 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2cru s THR 107 N -3.23 2.37 0.03 12.58 -4.23 -1.26 -5.07 115.64 116.83 2cru s THR 107 Ca 0.45 -3.30 -0.13 0.00 -1.18 0.00 0.00 61.69 57.52 2cru s THR 107 Cb -0.20 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.03 2cru s THR 107 CO 0.55 -0.85 0.28 0.68 -0.54 0.00 0.00 174.62 174.74 2cru s VAL 108 N -0.33 0.08 -0.45 2.29 -7.23 -1.26 -5.12 120.40 108.38 2cru s VAL 108 Ca 0.18 -0.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.69 2cru s VAL 108 Cb -0.22 -0.87 0.14 0.00 0.56 0.00 0.00 36.38 35.99 2cru s VAL 108 CO -0.03 -0.38 0.25 -0.54 -0.31 0.00 0.00 175.10 174.09 2cru s LYS 109 N -2.33 1.38 -0.66 4.82 -0.14 -1.26 -5.07 119.74 116.48 2cru s LYS 109 Ca -0.07 -2.10 -0.18 0.00 -1.36 0.00 0.00 55.97 52.26 2cru s LYS 109 Cb -0.02 -2.44 0.12 0.00 -1.68 0.00 0.00 37.83 33.82 2cru s LYS 109 CO -0.02 -1.16 0.76 -0.59 -0.76 0.00 0.00 175.35 173.58 2cru s PHE 110 N 0.24 3.10 -0.05 3.18 -0.71 -1.26 -5.00 117.98 117.48 2cru s PHE 110 Ca 0.18 -1.14 -0.02 0.00 -1.04 0.00 0.00 56.93 54.91 2cru s PHE 110 Cb -0.23 -4.03 0.03 0.00 -1.21 0.00 0.00 43.02 37.58 2cru s PHE 110 CO -0.01 -1.29 0.06 -0.80 -1.34 0.00 0.00 175.22 171.85 2cru s ASN 111 N 3.46 1.27 -0.28 1.98 0.01 -1.26 -5.10 114.94 115.02 2cru s ASN 111 Ca 0.15 0.00 -0.16 0.00 -0.71 0.00 0.00 52.86 52.14 2cru s ASN 111 Cb -0.20 -0.15 0.09 0.00 0.41 0.00 0.00 41.25 41.40 2cru s ASN 111 CO 0.03 -0.26 0.73 -0.60 -1.51 0.00 0.00 177.10 175.49 2cru s ARG 112 N 2.17 0.65 -1.22 -0.60 3.52 -1.26 -4.95 118.95 117.26 2cru s ARG 112 Ca 0.05 1.15 -0.06 0.00 -0.13 0.00 0.00 55.73 56.73 2cru s ARG 112 Cb -0.12 0.15 0.06 0.00 -1.56 0.00 0.00 34.95 33.48 2cru s ARG 112 CO -0.04 -0.14 0.16 0.45 -0.81 0.00 0.00 175.30 174.92 2cru n SER 113 N 4.26 -0.03 -4.71 -2.12 2.88 -1.26 -4.79 113.62 107.86 2cru n SER 113 Ca -0.20 -0.92 -0.39 0.00 -1.33 0.00 0.00 58.87 56.03 2cru n SER 113 Cb 0.58 -1.16 0.04 0.00 -0.75 0.00 0.00 64.21 62.92 2cru n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cru n GLY 114 N -1.71 0.54 0.00 0.46 0.00 -1.26 -4.87 105.19 98.34 2cru n GLY 114 Ca -0.12 0.03 0.07 0.00 0.00 0.00 0.00 46.02 46.00 2cru n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cru n PRO 115 N -0.80 0.05 -1.99 1.61 -0.04 -1.26 -4.71 135.00 127.85 2cru n PRO 115 Ca 0.10 0.23 -0.43 0.00 -0.04 0.00 0.00 63.50 63.36 2cru n PRO 115 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 2cru n PRO 115 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cru s SER 116 N -2.90 6.05 -0.22 3.54 1.04 -1.26 -4.92 113.70 115.03 2cru s SER 116 Ca 0.09 1.53 -0.29 0.00 0.48 0.00 0.00 55.95 57.76 2cru s SER 116 Cb 0.09 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 2cru s SER 116 CO 0.25 -1.54 1.85 -0.55 0.98 0.00 0.00 173.24 174.22 2cru s SER 117 N 5.56 6.05 0.00 7.02 0.15 -1.26 -5.17 113.70 126.04 2cru s SER 117 Ca 0.79 1.73 0.00 0.00 0.70 0.00 0.00 55.95 59.17 2cru s SER 117 Cb -0.25 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 2cru s SER 117 CO 0.33 -1.51 0.00 0.61 1.20 0.00 0.00 173.24 173.86