#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 -0.05 0.29 1.61 0.15 -1.26 -5.19 113.70 109.25 2cru s SER 2 Ca 0.00 -0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.40 2cru s SER 2 Cb 0.00 0.22 -0.02 0.00 -1.71 0.00 0.00 66.02 64.51 2cru s SER 2 CO 0.00 -0.41 0.35 -0.94 1.20 0.00 0.00 173.24 173.44 2cru s SER 3 N -3.21 0.66 0.00 5.45 1.04 -1.26 -5.18 113.70 111.21 2cru s SER 3 Ca 0.18 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.21 2cru s SER 3 Cb 0.02 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2cru s SER 3 CO -0.02 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.71 2cru n GLY 4 N -0.46 2.42 3.33 7.32 0.00 -1.26 -5.19 105.19 111.34 2cru n GLY 4 Ca 0.02 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 2cru n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cru s SER 5 N 2.00 0.99 0.36 1.61 0.01 -1.26 -5.19 113.70 112.23 2cru s SER 5 Ca 0.00 -1.55 0.04 0.00 1.31 0.00 0.00 55.95 55.75 2cru s SER 5 Cb 0.00 0.54 -0.03 0.00 0.21 0.00 0.00 66.02 66.74 2cru s SER 5 CO 0.00 -1.06 0.15 -0.94 0.41 0.00 0.00 173.24 171.80 2cru s SER 6 N -3.26 2.27 0.00 2.44 1.04 -1.26 -5.18 113.70 109.75 2cru s SER 6 Ca 0.37 -1.64 0.00 0.00 0.48 0.00 0.00 55.95 55.16 2cru s SER 6 Cb 0.03 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2cru s SER 6 CO 0.21 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.12 2cru n GLY 7 N -0.77 5.22 3.18 7.32 0.00 -1.26 -5.17 105.19 113.71 2cru n GLY 7 Ca -0.02 -1.52 -0.18 0.00 0.00 0.00 0.00 46.02 44.30 2cru n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cru s LEU 8 N 0.00 2.30 0.51 0.99 0.20 -1.26 -5.16 118.68 116.26 2cru s LEU 8 Ca 0.00 -0.65 0.06 0.00 0.69 0.00 0.00 54.13 54.23 2cru s LEU 8 Cb 0.00 -0.51 0.02 0.00 -0.43 0.00 0.00 46.19 45.27 2cru s LEU 8 CO 0.00 -0.09 0.41 -0.13 -0.29 0.00 0.00 176.35 176.25 2cru s ARG 9 N -1.90 2.31 0.41 1.98 3.00 -1.26 -5.15 118.95 118.33 2cru s ARG 9 Ca -0.00 -1.89 0.07 0.00 0.00 0.00 0.00 55.73 53.91 2cru s ARG 9 Cb -0.09 -2.18 -0.08 0.00 0.00 0.00 0.00 34.95 32.60 2cru s ARG 9 CO 0.02 -0.52 0.01 -0.98 0.00 0.00 0.00 175.30 173.84 2cru s ARG 10 N -4.25 1.96 0.32 3.54 3.03 -1.26 -5.16 118.95 117.13 2cru s ARG 10 Ca 0.39 -2.10 0.00 0.00 2.03 0.00 0.00 55.73 56.05 2cru s ARG 10 Cb -0.02 -1.65 -0.00 0.00 -1.03 0.00 0.00 34.95 32.25 2cru s ARG 10 CO 0.24 -0.05 0.01 1.04 -1.13 0.00 0.00 175.30 175.41 2cru n GLN 11 N -0.97 1.16 -2.25 3.89 1.13 -1.26 -5.16 117.38 113.92 2cru n GLN 11 Ca -0.05 -2.34 -0.27 0.00 -1.94 0.00 0.00 57.00 52.40 2cru n GLN 11 Cb 0.67 0.69 0.15 0.00 0.11 0.00 0.00 30.24 31.86 2cru n GLN 11 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2cru s ARG 12 N -3.15 1.17 0.35 -1.09 3.00 -1.26 -5.12 118.95 112.85 2cru s ARG 12 Ca 0.01 -0.74 0.03 0.00 0.00 0.00 0.00 55.73 55.03 2cru s ARG 12 Cb 0.00 -2.08 -0.04 0.00 0.00 0.00 0.00 34.95 32.83 2cru s ARG 12 CO 0.01 -1.93 0.11 -0.51 0.00 0.00 0.00 175.30 172.98 2cru s LEU 13 N -5.52 1.95 0.49 2.53 1.02 -1.26 -5.18 118.68 112.71 2cru s LEU 13 Ca 0.70 -1.55 0.03 0.00 0.02 0.00 0.00 54.13 53.34 2cru s LEU 13 Cb -0.05 -0.11 -0.02 0.00 0.02 0.00 0.00 46.19 46.03 2cru s LEU 13 CO 0.49 -0.82 0.07 0.00 0.02 0.00 0.00 176.35 176.10 2cru s ALA 14 N -3.36 3.93 0.34 4.21 0.00 -1.26 -5.16 121.76 120.46 2cru s ALA 14 Ca 0.31 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.32 2cru s ALA 14 Cb 0.05 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 23.14 2cru s ALA 14 CO 0.15 -0.10 0.34 -0.85 0.00 0.00 0.00 175.76 175.30 2cru n GLU 15 N -1.27 0.91 -4.43 0.00 0.28 -1.26 -5.15 120.64 109.72 2cru n GLU 15 Ca -0.13 -2.04 -0.21 0.00 -0.16 0.00 0.00 57.16 54.62 2cru n GLU 15 Cb 0.66 0.09 -0.11 0.00 1.43 0.00 0.00 31.44 33.52 2cru n GLU 15 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2cru s LEU 16 N 0.00 2.20 0.39 -1.84 2.34 -1.26 -5.17 118.68 115.34 2cru s LEU 16 Ca 0.26 -1.34 0.04 0.00 0.06 0.00 0.00 54.13 53.14 2cru s LEU 16 Cb -0.02 -0.39 -0.03 0.00 -0.56 0.00 0.00 46.19 45.19 2cru s LEU 16 CO 0.16 -0.57 0.11 0.00 -1.06 0.00 0.00 176.35 174.99 2cru s GLN 17 N -3.87 1.86 0.12 1.48 -2.07 -1.26 -5.17 119.66 110.75 2cru s GLN 17 Ca 0.35 -2.12 -0.25 0.00 -1.82 0.00 0.00 55.36 51.52 2cru s GLN 17 Cb 0.08 -0.68 0.07 0.00 -1.09 0.00 0.00 33.01 31.39 2cru s GLN 17 CO 0.14 -0.41 0.76 0.00 -1.32 0.00 0.00 175.29 174.47 2cru s ALA 18 N -3.24 -1.63 0.14 2.60 0.00 -1.26 -5.16 121.76 113.21 2cru s ALA 18 Ca 0.26 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 2cru s ALA 18 Cb 0.04 0.69 -0.07 0.00 0.00 0.00 0.00 23.12 23.78 2cru s ALA 18 CO 0.14 -0.82 0.55 0.21 0.00 0.00 0.00 175.76 175.84 2cru s LYS 19 N -3.50 4.00 -0.29 0.00 2.20 -1.26 -5.07 119.74 115.82 2cru s LYS 19 Ca 0.05 0.52 -0.20 0.00 -0.36 0.00 0.00 55.97 55.98 2cru s LYS 19 Cb -0.02 -2.96 0.16 0.00 -1.51 0.00 0.00 37.83 33.50 2cru s LYS 19 CO -0.07 0.49 1.10 -1.58 -0.36 0.00 0.00 175.35 174.94 2cru s HIS 20 N -1.43 -0.39 0.57 4.03 2.46 -1.26 -5.15 115.29 114.12 2cru s HIS 20 Ca 0.37 0.84 -0.18 0.00 0.47 0.00 0.00 55.06 56.56 2cru s HIS 20 Cb -0.15 0.32 -0.14 0.00 -0.13 0.00 0.00 32.58 32.47 2cru s HIS 20 CO 0.19 -0.19 -0.15 0.41 -2.47 0.00 0.00 174.74 172.53 2cru n GLY 21 N 2.91 -3.25 3.76 1.59 0.00 -1.26 -4.84 105.19 104.10 2cru n GLY 21 Ca -0.16 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.02 5.96 0.00 1.61 1.01 -1.26 -4.88 116.67 118.08 2cru s ASP 22 Ca 0.56 2.67 0.15 0.00 0.71 0.00 0.00 52.55 56.64 2cru s ASP 22 Cb -0.45 -2.63 0.82 0.00 1.01 0.00 0.00 42.92 41.66 2cru s ASP 22 CO 0.67 -1.09 1.38 -0.81 0.21 0.00 0.00 175.17 175.53 2cru n PRO 23 N -0.31 0.31 0.00 8.23 -0.04 -1.26 -4.97 135.00 136.96 2cru n PRO 23 Ca 0.06 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2cru n PRO 23 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2cru n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cru n GLY 24 N -0.03 0.84 0.30 0.55 0.00 -1.26 -3.97 105.19 101.62 2cru n GLY 24 Ca 0.09 -0.94 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 0.94 -1.02 1.61 3.04 -1.99 -2.84 116.42 116.15 2cru h ASP 25 Ca 0.00 -0.25 0.30 0.00 -3.24 0.00 0.00 57.03 53.83 2cru h ASP 25 Cb 0.00 -0.25 -0.04 0.00 -1.04 0.00 0.00 39.33 38.00 2cru h ASP 25 CO 0.00 1.00 1.22 0.00 -2.04 0.00 0.00 179.24 179.41 2cru h ALA 26 N 1.10 2.96 0.11 4.15 0.00 -2.00 1.34 119.26 126.93 2cru h ALA 26 Ca 0.16 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.67 2cru h ALA 26 Cb 0.53 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2cru h ALA 26 CO 0.03 -1.74 -1.99 0.00 0.00 0.00 0.00 179.25 175.55 2cru n ALA 27 N -2.24 0.90 0.21 0.00 0.00 -1.07 -3.11 120.51 115.21 2cru n ALA 27 Ca 0.23 -0.61 0.05 0.00 0.00 0.00 0.00 53.44 53.11 2cru n ALA 27 Cb 1.52 -0.65 0.47 0.00 0.00 0.00 0.00 19.45 20.80 2cru n ALA 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2cru h GLN 28 N 0.01 0.00 0.00 0.00 3.07 0.16 0.08 115.11 118.44 2cru h GLN 28 Ca -0.43 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.19 2cru h GLN 28 Cb 1.99 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 29.53 2cru h GLN 28 CO 0.07 0.25 -0.93 -0.56 0.09 0.00 0.00 178.83 177.74 2cru h GLN 29 N 0.00 0.00 0.06 0.06 3.07 -1.02 -3.25 115.11 114.03 2cru h GLN 29 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.65 2cru h GLN 29 Cb 0.45 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.02 2cru h GLN 29 CO 0.03 0.36 -0.39 0.93 0.09 0.00 0.00 178.83 179.86 2cru h GLU 30 N 0.00 0.13 -0.75 0.06 4.39 -1.36 -2.90 114.58 114.14 2cru h GLU 30 Ca -0.07 -0.22 0.09 0.00 0.34 0.00 0.00 59.36 59.49 2cru h GLU 30 Cb 1.44 0.08 -0.07 0.00 -0.10 0.00 0.00 28.75 30.10 2cru h GLU 30 CO 0.05 1.11 0.41 0.00 -1.16 0.00 0.00 179.01 179.42 2cru h ALA 31 N 0.02 1.05 0.00 3.43 0.00 -1.14 0.96 119.26 123.58 2cru h ALA 31 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2cru h ALA 31 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2cru h ALA 31 CO 0.06 0.04 0.00 1.57 0.00 0.00 0.00 179.25 180.92 2cru h LYS 32 N 0.70 0.00 -0.00 0.00 2.10 -1.68 -3.00 116.57 114.69 2cru h LYS 32 Ca 0.36 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.83 2cru h LYS 32 Cb 0.33 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.64 2cru h LYS 32 CO -0.24 0.00 -0.82 1.25 -2.00 0.00 0.00 179.45 177.63 2cru h HIS 33 N 0.00 0.19 -0.12 0.07 2.76 -0.61 -3.16 115.15 114.28 2cru h HIS 33 Ca 0.00 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.04 2cru h HIS 33 Cb 0.62 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 2cru h HIS 33 CO 0.00 0.89 -0.04 0.00 -1.30 0.00 0.00 177.93 177.48 2cru h ARG 34 N 0.07 0.18 0.00 5.26 2.47 -1.27 -1.18 114.38 119.92 2cru h ARG 34 Ca -0.03 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2cru h ARG 34 Cb 1.43 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.72 2cru h ARG 34 CO 0.12 0.24 -0.01 1.49 0.56 0.00 0.00 179.97 182.37 2cru h GLU 35 N 0.18 0.00 0.00 0.04 4.81 -1.67 -1.00 114.58 116.93 2cru h GLU 35 Ca 0.04 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2cru h GLU 35 Cb 0.19 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 2cru h GLU 35 CO 0.01 0.01 -1.37 0.00 -0.73 0.00 0.00 179.01 176.92 2cru n ALA 36 N -2.10 2.52 -0.07 2.92 0.00 -0.46 -3.88 120.51 119.43 2cru n ALA 36 Ca -0.02 -0.38 -0.12 0.00 0.00 0.00 0.00 53.44 52.92 2cru n ALA 36 Cb 0.15 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.54 2cru n ALA 36 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2cru h GLU 37 N 0.00 0.00 -0.54 0.00 5.08 -1.04 -3.01 114.58 115.07 2cru h GLU 37 Ca -0.03 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2cru h GLU 37 Cb 1.09 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.26 2cru h GLU 37 CO 0.01 0.75 0.08 0.00 -1.00 0.00 0.00 179.01 178.85 2cru h MET 38 N -1.00 0.20 -0.59 2.33 -0.00 -1.47 -1.38 114.93 113.02 2cru h MET 38 Ca -0.06 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.70 59.60 2cru h MET 38 Cb 0.83 -0.05 -0.03 0.00 -0.00 0.00 0.00 31.60 32.36 2cru h MET 38 CO -0.04 0.13 0.28 0.07 -0.00 0.00 0.00 176.91 177.36 2cru h ARG 39 N 0.21 0.85 -0.65 -0.10 0.11 -1.72 -1.85 114.38 111.23 2cru h ARG 39 Ca 0.28 -0.13 0.14 0.00 0.10 0.00 0.00 59.98 60.37 2cru h ARG 39 Cb 0.40 -0.15 -0.12 0.00 1.11 0.00 0.00 29.97 31.21 2cru h ARG 39 CO -0.39 0.69 -0.07 -0.97 0.10 0.00 0.00 179.97 179.33 2cru h ASN 40 N 0.81 -0.44 0.21 0.08 -0.73 -1.11 -0.20 115.58 114.19 2cru h ASN 40 Ca 0.20 0.18 -0.01 0.00 1.87 0.00 0.00 56.30 58.54 2cru h ASN 40 Cb 0.12 0.35 0.00 0.00 0.27 0.00 0.00 38.32 39.06 2cru h ASN 40 CO -0.03 -0.17 -0.10 0.28 -0.37 0.00 0.00 177.43 177.04 2cru h SER 41 N 0.06 -0.24 -1.17 1.15 0.02 -1.27 -2.72 113.55 109.37 2cru h SER 41 Ca 0.33 -0.28 0.37 0.00 -0.84 0.00 0.00 61.79 61.37 2cru h SER 41 Cb 0.54 0.06 -0.12 0.00 0.14 0.00 0.00 62.40 63.02 2cru h SER 41 CO -0.62 0.21 0.74 0.40 -1.14 0.00 0.00 176.83 176.42 2cru h ILE 42 N -0.75 0.26 -0.07 3.27 2.04 -0.75 0.99 117.51 122.50 2cru h ILE 42 Ca -0.03 -0.07 -0.20 0.00 1.00 0.00 0.00 64.86 65.56 2cru h ILE 42 Cb 0.50 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2cru h ILE 42 CO 0.05 0.04 -0.79 -0.07 0.00 0.00 0.00 178.15 177.38 2cru h LEU 43 N 0.21 0.55 -0.47 1.44 3.38 -1.00 -2.55 115.31 116.87 2cru h LEU 43 Ca 0.74 -0.38 -0.16 0.00 0.09 0.00 0.00 57.88 58.17 2cru h LEU 43 Cb 2.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 2cru h LEU 43 CO -0.43 1.14 -0.44 0.00 0.09 0.00 0.00 178.44 178.81 2cru h ALA 44 N 0.84 0.65 -0.18 1.53 0.00 0.12 0.14 119.26 122.36 2cru h ALA 44 Ca -0.05 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 2cru h ALA 44 Cb 1.38 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2cru h ALA 44 CO 0.14 0.67 -0.41 -0.56 0.00 0.00 0.00 179.25 179.09 2cru h GLN 45 N 0.63 0.42 0.00 0.00 3.07 -0.74 -2.85 115.11 115.64 2cru h GLN 45 Ca 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 58.65 58.57 2cru h GLN 45 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.57 2cru h GLN 45 CO 0.10 0.77 -0.40 -0.39 0.09 0.00 0.00 178.83 178.99 2cru h VAL 46 N 0.35 0.00 -3.25 1.86 -1.51 -1.37 -3.41 116.25 108.92 2cru h VAL 46 Ca 0.03 -0.71 -0.66 0.00 -1.23 0.00 0.00 66.70 64.12 2cru h VAL 46 Cb 0.88 1.48 -0.31 0.00 -2.13 0.00 0.00 31.29 31.20 2cru h VAL 46 CO 0.07 0.00 -0.80 -0.76 -1.23 0.00 0.00 177.57 174.85 2cru s LEU 47 N -5.00 2.47 0.56 4.19 1.43 0.03 -0.50 118.68 121.86 2cru s LEU 47 Ca 0.06 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.53 2cru s LEU 47 Cb 0.10 -1.57 -0.06 0.00 0.03 0.00 0.00 46.19 44.69 2cru s LEU 47 CO 0.69 0.05 1.01 1.51 0.23 0.00 0.00 176.35 179.84 2cru s ASP 48 N 1.00 6.41 0.11 2.29 -4.77 -0.85 -4.63 116.67 116.23 2cru s ASP 48 Ca -0.02 1.53 -0.22 0.00 -3.30 0.00 0.00 52.55 50.54 2cru s ASP 48 Cb -0.15 -2.49 -0.05 0.00 -1.09 0.00 0.00 42.92 39.14 2cru s ASP 48 CO -0.03 -0.74 1.14 1.67 0.70 0.00 0.00 175.17 177.91 2cru n GLN 49 N -2.08 -0.31 -0.09 2.11 7.27 -1.26 -0.61 117.38 122.41 2cru n GLN 49 Ca 0.06 1.12 -0.03 0.00 0.07 0.00 0.00 57.00 58.22 2cru n GLN 49 Cb 0.54 -1.64 -0.03 0.00 2.41 0.00 0.00 30.24 31.52 2cru n GLN 49 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2cru h SER 50 N 0.00 -0.57 -0.21 1.69 0.02 -1.92 -1.59 113.55 110.96 2cru h SER 50 Ca 0.11 0.08 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 2cru h SER 50 Cb 0.29 0.25 -0.07 0.00 0.14 0.00 0.00 62.40 63.00 2cru h SER 50 CO -0.66 -0.08 -0.38 0.00 -1.14 0.00 0.00 176.83 174.57 2cru h ALA 51 N -0.70 -0.44 -0.72 3.77 0.00 -1.31 -2.27 119.26 117.60 2cru h ALA 51 Ca 0.04 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2cru h ALA 51 Cb 0.13 0.74 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 2cru h ALA 51 CO -0.23 -0.85 -0.42 0.54 0.00 0.00 0.00 179.25 178.29 2cru n ARG 52 N -5.42 -0.32 -0.37 0.00 5.12 0.22 0.17 116.66 116.07 2cru n ARG 52 Ca -0.02 1.12 0.04 0.00 -1.93 0.00 0.00 57.85 57.05 2cru n ARG 52 Cb 0.35 -1.65 0.19 0.00 -1.16 0.00 0.00 32.46 30.19 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 0.32 1.43 -0.32 7.54 0.00 -0.91 -0.92 119.26 126.40 2cru h ALA 53 Ca 0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2cru h ALA 53 Cb 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2cru h ALA 53 CO -0.67 0.40 -0.06 -0.09 0.00 0.00 0.00 179.25 178.83 2cru h ARG 54 N 1.14 0.52 0.54 0.00 1.12 0.23 -1.73 114.38 116.20 2cru h ARG 54 Ca 0.45 -0.13 -0.03 0.00 -1.11 0.00 0.00 59.98 59.16 2cru h ARG 54 Cb 0.23 -0.07 0.01 0.00 -0.01 0.00 0.00 29.97 30.13 2cru h ARG 54 CO -0.19 0.59 -0.26 1.25 -3.11 0.00 0.00 179.97 178.25 2cru h LEU 55 N 0.49 -0.62 -0.45 3.80 5.85 0.12 -3.13 115.31 121.37 2cru h LEU 55 Ca 0.10 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.87 2cru h LEU 55 Cb 0.41 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 2cru h LEU 55 CO 0.02 -0.22 0.02 -1.28 -0.34 0.00 0.00 178.44 176.64 2cru h SER 56 N -1.11 -0.15 -0.88 1.25 0.87 -1.35 -1.56 113.55 110.62 2cru h SER 56 Ca -0.07 0.10 0.23 0.00 -1.23 0.00 0.00 61.79 60.82 2cru h SER 56 Cb 0.61 0.17 -0.15 0.00 -0.44 0.00 0.00 62.40 62.59 2cru h SER 56 CO 0.12 -0.04 0.09 -1.13 -0.53 0.00 0.00 176.83 175.34 2cru h ASN 57 N 0.13 -0.29 -0.34 6.23 -0.73 -1.37 0.23 115.58 119.45 2cru h ASN 57 Ca 0.22 0.23 0.06 0.00 1.87 0.00 0.00 56.30 58.68 2cru h ASN 57 Cb 0.32 0.37 -0.05 0.00 0.27 0.00 0.00 38.32 39.23 2cru h ASN 57 CO -0.36 -0.24 0.01 0.25 -0.37 0.00 0.00 177.43 176.73 2cru h LEU 58 N 0.10 -0.11 -1.05 0.34 5.85 -1.22 -1.74 115.31 117.47 2cru h LEU 58 Ca 0.53 0.07 0.36 0.00 0.84 0.00 0.00 57.88 59.68 2cru h LEU 58 Cb 1.04 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 42.10 2cru h LEU 58 CO -0.76 -0.02 0.68 0.00 -0.34 0.00 0.00 178.44 178.00 2cru n ALA 59 N -2.47 1.04 0.22 1.25 0.00 0.81 0.10 120.51 121.45 2cru n ALA 59 Ca 0.01 0.65 -0.13 0.00 0.00 0.00 0.00 53.44 53.97 2cru n ALA 59 Cb 0.17 -0.80 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 2cru n ALA 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2cru h LEU 60 N 0.00 -0.49 0.53 0.00 3.38 -1.38 -3.26 115.31 114.09 2cru h LEU 60 Ca 0.66 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.50 2cru h LEU 60 Cb 2.16 0.13 0.01 0.00 0.09 0.00 0.00 40.66 43.04 2cru h LEU 60 CO -0.34 -0.12 -0.25 0.58 0.09 0.00 0.00 178.44 178.40 2cru h VAL 61 N -0.92 0.00 -3.03 1.22 2.07 0.55 -3.43 116.25 112.71 2cru h VAL 61 Ca -0.06 -0.03 -0.38 0.00 0.82 0.00 0.00 66.70 67.06 2cru h VAL 61 Cb 0.57 0.00 -0.38 0.00 -1.52 0.00 0.00 31.29 29.95 2cru h VAL 61 CO 0.10 0.00 -0.70 -1.59 0.02 0.00 0.00 177.57 175.40 2cru s LYS 62 N -4.45 0.04 0.08 1.57 -2.85 -0.37 -5.03 119.74 108.73 2cru s LYS 62 Ca -0.10 0.22 -0.16 0.00 -1.00 0.00 0.00 55.97 54.92 2cru s LYS 62 Cb 0.01 -1.06 -0.10 0.00 -2.06 0.00 0.00 37.83 34.62 2cru s LYS 62 CO 0.31 -0.51 1.40 -1.00 0.10 0.00 0.00 175.35 175.65 2cru h PRO 63 N 8.39 0.60 -0.73 1.78 0.13 -1.76 -3.29 132.00 137.13 2cru h PRO 63 Ca -0.14 -0.32 0.11 0.00 -0.87 0.00 0.00 66.00 64.78 2cru h PRO 63 Cb 1.14 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.16 2cru h PRO 63 CO 0.22 0.91 -0.30 -1.91 -0.23 0.00 0.00 178.00 176.69 2cru n GLU 64 N -4.35 -0.19 0.29 0.86 2.13 -1.26 -0.84 120.64 117.28 2cru n GLU 64 Ca -0.04 1.12 -0.12 0.00 0.66 0.00 0.00 57.16 58.78 2cru n GLU 64 Cb 0.44 -1.66 -0.06 0.00 0.27 0.00 0.00 31.44 30.43 2cru n GLU 64 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2cru h LYS 65 N 0.00 -0.73 -0.79 5.31 1.79 -1.95 -2.40 116.57 117.81 2cru h LYS 65 Ca 0.24 0.05 0.28 0.00 -2.18 0.00 0.00 60.65 59.04 2cru h LYS 65 Cb 0.42 0.17 -0.14 0.00 -1.58 0.00 0.00 32.23 31.09 2cru h LYS 65 CO -0.72 -0.48 0.24 2.41 -1.08 0.00 0.00 179.45 179.81 2cru n THR 66 N -4.10 -0.33 0.40 -0.16 -1.04 -0.02 0.21 114.28 109.23 2cru n THR 66 Ca -0.09 1.66 -0.17 0.00 -2.04 0.00 0.00 64.05 63.41 2cru n THR 66 Cb 0.30 -2.56 -0.08 0.00 -1.82 0.00 0.00 70.33 66.17 2cru n THR 66 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2cru h LYS 67 N 0.00 -0.98 -0.62 -2.82 6.56 -0.94 -2.18 116.57 115.60 2cru h LYS 67 Ca 0.58 0.07 0.12 0.00 -1.06 0.00 0.00 60.65 60.36 2cru h LYS 67 Cb 1.41 0.22 -0.12 0.00 -0.57 0.00 0.00 32.23 33.18 2cru h LYS 67 CO -0.67 -0.64 -0.14 0.00 -2.06 0.00 0.00 179.45 175.94 2cru h ALA 68 N -1.13 0.42 0.29 3.86 0.00 0.27 -2.35 119.26 120.61 2cru h ALA 68 Ca -0.10 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2cru h ALA 68 Cb 0.80 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2cru h ALA 68 CO 0.17 -0.43 -0.37 0.28 0.00 0.00 0.00 179.25 178.91 2cru h VAL 69 N 0.01 0.00 -1.15 0.00 2.07 -1.11 0.62 116.25 116.68 2cru h VAL 69 Ca 0.30 0.00 0.44 0.00 0.82 0.00 0.00 66.70 68.26 2cru h VAL 69 Cb 0.46 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.07 2cru h VAL 69 CO -0.63 0.00 0.68 -0.62 0.02 0.00 0.00 177.57 177.02 2cru n GLU 70 N -4.59 -0.05 0.04 1.57 -0.58 -0.82 0.22 120.64 116.43 2cru n GLU 70 Ca -0.08 1.32 -0.09 0.00 -0.42 0.00 0.00 57.16 57.89 2cru n GLU 70 Cb 0.32 -2.46 -0.13 0.00 -0.57 0.00 0.00 31.44 28.60 2cru n GLU 70 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2cru h ASN 71 N 0.00 0.08 -0.43 1.62 2.35 -0.88 -3.15 115.58 115.17 2cru h ASN 71 Ca 0.86 -0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 56.39 2cru h ASN 71 Cb 2.48 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 40.81 2cru h ASN 71 CO -0.64 1.08 -0.17 0.22 -1.65 0.00 0.00 177.43 176.28 2cru h TYR 72 N 0.01 1.03 0.58 1.19 5.03 0.84 -3.11 116.97 122.54 2cru h TYR 72 Ca -0.13 -0.23 -0.03 0.00 2.58 0.00 0.00 58.73 60.93 2cru h TYR 72 Cb 1.89 -0.25 0.01 0.00 1.55 0.00 0.00 36.73 39.92 2cru h TYR 72 CO 0.01 1.01 -0.28 -0.07 -1.32 0.00 0.00 178.16 177.51 2cru h LEU 73 N 0.81 -0.66 -0.71 2.82 3.38 -0.66 -3.20 115.31 117.09 2cru h LEU 73 Ca 0.12 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.16 2cru h LEU 73 Cb 0.71 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 2cru h LEU 73 CO 0.05 -0.26 -0.42 -0.38 0.09 0.00 0.00 178.44 177.53 2cru n ILE 74 N -5.29 -0.48 -0.32 1.22 5.41 -1.19 -0.07 119.36 118.64 2cru n ILE 74 Ca -0.10 1.92 -0.03 0.00 1.00 0.00 0.00 62.75 65.53 2cru n ILE 74 Cb 0.31 -2.39 0.02 0.00 -0.71 0.00 0.00 39.64 36.88 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 -0.07 -0.82 0.38 1.08 -1.64 0.94 115.11 114.99 2cru h GLN 75 Ca 0.11 0.00 0.15 0.00 -1.45 0.00 0.00 58.65 57.47 2cru h GLN 75 Cb 0.29 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.68 2cru h GLN 75 CO -0.66 -0.04 0.54 0.52 -0.95 0.00 0.00 178.83 178.23 2cru h MET 76 N -0.07 0.50 0.41 1.46 2.86 -0.48 -2.43 114.93 117.19 2cru h MET 76 Ca 0.29 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 2cru h MET 76 Cb 0.57 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.12 2cru h MET 76 CO -0.87 0.33 -0.20 0.00 1.06 0.00 0.00 176.91 177.23 2cru h ALA 77 N 1.62 -0.56 -0.72 6.32 0.00 0.19 -0.58 119.26 125.54 2cru h ALA 77 Ca 0.41 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.22 2cru h ALA 77 Cb 0.84 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.73 2cru h ALA 77 CO -0.16 -0.59 -0.52 0.00 0.00 0.00 0.00 179.25 177.98 2cru h ARG 78 N -0.99 -0.17 0.00 0.00 3.08 -0.59 0.70 114.38 116.42 2cru h ARG 78 Ca -0.06 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2cru h ARG 78 Cb 0.55 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 2cru h ARG 78 CO 0.09 -0.11 -0.04 1.88 -1.07 0.00 0.00 179.97 180.72 2cru h TYR 79 N -0.17 0.00 -0.07 3.04 -1.99 -1.55 -3.46 116.97 112.77 2cru h TYR 79 Ca 0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 2cru h TYR 79 Cb 0.53 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.26 2cru h TYR 79 CO -0.84 0.04 0.00 0.41 -0.00 0.00 0.00 178.16 177.77 2cru n GLY 80 N -1.34 0.80 0.11 3.88 0.00 0.25 -4.96 105.19 103.93 2cru n GLY 80 Ca -0.03 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.46 2cru n GLY 80 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2cru h GLN 81 N 0.00 0.00 -6.84 1.61 3.07 -1.34 -3.46 115.11 108.14 2cru h GLN 81 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 58.65 58.22 2cru h GLN 81 Cb 0.75 0.00 0.06 0.00 0.08 0.00 0.00 27.48 28.37 2cru h GLN 81 CO 0.00 0.00 0.67 -0.51 0.09 0.00 0.00 178.83 179.08 2cru s LEU 82 N -4.79 4.42 -0.16 0.06 1.43 -1.22 -4.97 118.68 113.45 2cru s LEU 82 Ca 0.08 2.67 -0.14 0.00 -1.03 0.00 0.00 54.13 55.71 2cru s LEU 82 Cb 0.11 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 2cru s LEU 82 CO 0.67 -0.57 0.02 0.28 0.23 0.00 0.00 176.35 176.98 2cru h SER 83 N 3.82 0.00 -5.07 2.29 0.02 -1.97 -3.51 113.55 109.14 2cru h SER 83 Ca -0.48 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.26 2cru h SER 83 Cb 1.22 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.71 2cru h SER 83 CO 0.69 1.01 0.14 -1.83 -1.14 0.00 0.00 176.83 175.70 2cru s GLU 84 N -2.23 1.77 -0.38 3.45 -1.05 -1.26 -5.11 118.70 113.88 2cru s GLU 84 Ca -0.19 -1.11 -0.45 0.00 -0.15 0.00 0.00 54.97 53.07 2cru s GLU 84 Cb 0.03 0.57 -0.20 0.00 -0.44 0.00 0.00 34.13 34.10 2cru s GLU 84 CO 0.36 -0.79 1.50 1.63 0.95 0.00 0.00 175.26 178.90 2cru n LYS 85 N -0.45 0.06 -2.43 -4.83 5.02 -1.26 -4.85 118.16 109.42 2cru n LYS 85 Ca -0.04 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 2cru n LYS 85 Cb 0.60 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 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 2.39 3.86 0.31 -0.18 1.01 0.35 -4.77 120.40 123.37 2cru s VAL 86 Ca 1.02 1.45 0.04 0.00 0.00 0.00 0.00 61.98 64.49 2cru s VAL 86 Cb -1.43 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 31.00 2cru s VAL 86 CO 0.76 0.17 0.46 -0.44 0.00 0.00 0.00 175.10 176.05 2cru s SER 87 N 0.56 6.16 0.11 3.32 0.01 -1.26 -2.02 113.70 120.58 2cru s SER 87 Ca 0.55 0.08 -0.22 0.00 1.31 0.00 0.00 55.95 57.67 2cru s SER 87 Cb -0.30 -1.66 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 2cru s SER 87 CO 0.32 -0.29 1.11 1.21 0.41 0.00 0.00 173.24 176.01 2cru n GLU 88 N -1.62 -0.31 -0.17 12.44 2.13 -1.26 0.41 120.64 132.27 2cru n GLU 88 Ca -0.04 1.09 -0.07 0.00 0.66 0.00 0.00 57.16 58.80 2cru n GLU 88 Cb 0.57 -1.60 -0.01 0.00 0.27 0.00 0.00 31.44 30.67 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 -0.20 -0.20 5.31 4.20 -1.99 -0.51 115.11 121.71 2cru h GLN 89 Ca 0.11 0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.88 2cru h GLN 89 Cb 0.29 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 2cru h GLN 89 CO -0.66 -0.14 -0.06 0.78 -0.67 0.00 0.00 178.83 178.08 2cru h GLY 90 N -0.21 0.13 0.19 3.46 0.00 -0.41 -2.79 103.07 103.43 2cru h GLY 90 Ca 0.20 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 2cru h GLY 90 CO -0.62 -0.09 -0.28 -2.00 0.00 0.00 0.00 176.54 173.55 2cru h LEU 91 N -0.02 -0.79 -0.84 3.11 5.85 0.15 -2.32 115.31 120.45 2cru h LEU 91 Ca 0.10 0.07 0.21 0.00 0.84 0.00 0.00 57.88 59.11 2cru h LEU 91 Cb 0.17 0.27 -0.16 0.00 0.37 0.00 0.00 40.66 41.32 2cru h LEU 91 CO -0.22 -0.33 -0.05 -0.38 -0.34 0.00 0.00 178.44 177.12 2cru n ILE 92 N -4.03 -0.35 -0.36 4.05 5.41 -0.30 0.23 119.36 124.01 2cru n ILE 92 Ca -0.06 1.86 -0.00 0.00 1.00 0.00 0.00 62.75 65.56 2cru n ILE 92 Cb 0.24 -2.68 0.14 0.00 -0.71 0.00 0.00 39.64 36.62 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 1.17 0.14 0.38 5.08 -1.15 -2.76 114.58 117.44 2cru h GLU 93 Ca 0.48 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.78 2cru h GLU 93 Cb 0.92 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2cru h GLU 93 CO -0.81 0.78 -0.18 0.82 -1.00 0.00 0.00 179.01 178.62 2cru h ILE 94 N 1.21 0.60 -0.93 3.13 2.04 0.34 -2.45 117.51 121.45 2cru h ILE 94 Ca 0.39 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.54 2cru h ILE 94 Cb 0.02 0.60 -0.17 0.00 -0.74 0.00 0.00 36.82 36.52 2cru h ILE 94 CO -0.13 0.00 0.14 0.18 0.00 0.00 0.00 178.15 178.34 2cru n LEU 95 N -5.30 -0.00 -0.05 1.44 4.77 -0.95 0.23 117.00 117.14 2cru n LEU 95 Ca -0.07 1.58 -0.06 0.00 -0.03 0.00 0.00 56.01 57.43 2cru n LEU 95 Cb 0.22 -0.62 0.13 0.00 -2.33 0.00 0.00 43.42 40.82 2cru n LEU 95 CO 0.29 -1.64 0.72 0.11 -1.33 0.00 0.00 177.39 175.54 2cru h LYS 96 N 0.00 0.66 0.55 3.23 1.57 -1.48 -3.06 116.57 118.03 2cru h LYS 96 Ca 0.62 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 59.12 2cru h LYS 96 Cb 1.40 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.68 2cru h LYS 96 CO -0.84 0.84 -0.27 0.87 -0.57 0.00 0.00 179.45 179.48 2cru h LYS 97 N 0.58 -0.72 -0.17 3.15 1.57 0.32 -3.02 116.57 118.28 2cru h LYS 97 Ca 0.08 0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.96 2cru h LYS 97 Cb 0.71 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 2cru h LYS 97 CO 0.05 -0.48 0.76 -0.39 -0.57 0.00 0.00 179.45 178.82 2cru h VAL 98 N -1.18 0.03 -0.96 0.50 -1.51 -0.78 0.14 116.25 112.49 2cru h VAL 98 Ca -0.08 0.00 0.26 0.00 -1.23 0.00 0.00 66.70 65.65 2cru h VAL 98 Cb 0.57 0.28 -0.05 0.00 -2.13 0.00 0.00 31.29 29.96 2cru h VAL 98 CO 0.12 0.00 0.66 -1.28 -1.23 0.00 0.00 177.57 175.85 2cru h SER 99 N 0.00 0.17 -0.95 4.19 0.87 -1.42 0.45 113.55 116.85 2cru h SER 99 Ca 0.08 0.02 0.20 0.00 -1.23 0.00 0.00 61.79 60.87 2cru h SER 99 Cb 1.59 -0.01 -0.11 0.00 -0.44 0.00 0.00 62.40 63.44 2cru h SER 99 CO -0.00 0.05 0.52 -0.61 -0.53 0.00 0.00 176.83 176.26 2cru h GLN 100 N 0.16 0.59 -5.80 2.24 5.75 -0.92 -3.42 115.11 113.70 2cru h GLN 100 Ca 0.48 -0.04 -0.59 0.00 -0.15 0.00 0.00 58.65 58.36 2cru h GLN 100 Cb 1.63 -0.13 -0.09 0.00 1.07 0.00 0.00 27.48 29.95 2cru h GLN 100 CO -0.09 0.39 -0.50 -1.14 -2.65 0.00 0.00 178.83 174.83 2cru s GLN 101 N -5.87 2.18 -0.11 1.69 0.74 0.15 -5.07 119.66 113.37 2cru s GLN 101 Ca -0.11 -1.95 -0.01 0.00 0.05 0.00 0.00 55.36 53.33 2cru s GLN 101 Cb 0.25 -1.89 -0.06 0.00 1.10 0.00 0.00 33.01 32.41 2cru s GLN 101 CO 0.79 -0.16 -0.11 -2.37 -0.55 0.00 0.00 175.29 172.89 2cru n THR 102 N -1.23 0.60 -3.96 -0.34 5.66 -1.26 -4.94 114.28 108.81 2cru n THR 102 Ca -0.03 -0.21 -0.12 0.00 -3.05 0.00 0.00 64.05 60.64 2cru n THR 102 Cb 0.65 -1.11 -0.01 0.00 -1.55 0.00 0.00 70.33 68.31 2cru n THR 102 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2cru s GLU 103 N -2.21 2.06 0.06 1.09 0.41 -1.26 -4.31 118.70 114.54 2cru s GLU 103 Ca -0.15 -1.61 -0.34 0.00 -0.41 0.00 0.00 54.97 52.47 2cru s GLU 103 Cb 0.04 0.53 -0.19 0.00 -1.78 0.00 0.00 34.13 32.73 2cru s GLU 103 CO 0.23 -0.91 1.54 -0.22 -0.49 0.00 0.00 175.26 175.41 2cru h LYS 104 N 2.06 -1.04 -6.52 1.61 3.64 -1.97 -3.44 116.57 110.90 2cru h LYS 104 Ca -0.30 0.07 -0.65 0.00 -1.27 0.00 0.00 60.65 58.50 2cru h LYS 104 Cb 1.24 0.24 -0.15 0.00 -0.41 0.00 0.00 32.23 33.15 2cru h LYS 104 CO 0.39 -0.69 -0.73 -0.08 -2.27 0.00 0.00 179.45 176.07 2cru s THR 105 N -5.85 3.36 -0.07 1.00 -1.32 -1.26 -5.03 115.64 106.46 2cru s THR 105 Ca -0.18 -1.36 0.14 0.00 -1.21 0.00 0.00 61.69 59.08 2cru s THR 105 Cb 0.03 -2.60 -0.20 0.00 -1.51 0.00 0.00 72.50 68.22 2cru s THR 105 CO 0.59 0.05 0.20 0.35 -2.21 0.00 0.00 174.62 173.61 2cru n THR 106 N 0.52 0.40 -1.65 5.08 -2.24 -1.26 -5.01 114.28 110.12 2cru n THR 106 Ca -0.13 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 2cru n THR 106 Cb 0.53 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 2cru n THR 106 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2cru n THR 107 N -2.22 2.22 -3.77 4.28 -2.24 -1.26 -4.99 114.28 106.30 2cru n THR 107 Ca -0.11 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 60.88 2cru n THR 107 Cb 0.62 -1.35 -0.16 0.00 -2.10 0.00 0.00 70.33 67.35 2cru n THR 107 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2cru s VAL 108 N -1.16 0.84 0.32 2.28 1.01 -1.26 -5.12 120.40 117.32 2cru s VAL 108 Ca 0.59 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 2cru s VAL 108 Cb -0.58 -1.42 -0.12 0.00 0.00 0.00 0.00 36.38 34.26 2cru s VAL 108 CO 0.60 -0.39 1.50 1.17 0.00 0.00 0.00 175.10 177.98 2cru n LYS 109 N 4.90 2.55 -4.05 2.72 4.81 -1.26 -4.99 118.16 122.84 2cru n LYS 109 Ca -0.07 0.90 -0.33 0.00 -0.87 0.00 0.00 58.31 57.95 2cru n LYS 109 Cb 0.44 -2.63 -0.15 0.00 0.02 0.00 0.00 35.03 32.72 2cru n LYS 109 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 2cru s PHE 110 N -0.53 3.07 0.43 5.64 -0.71 -1.26 -5.11 117.98 119.51 2cru s PHE 110 Ca 0.60 -1.92 -0.23 0.00 -1.04 0.00 0.00 56.93 54.33 2cru s PHE 110 Cb -0.51 -1.96 -0.08 0.00 -1.21 0.00 0.00 43.02 39.25 2cru s PHE 110 CO 0.56 -0.82 1.11 1.21 -1.34 0.00 0.00 175.22 175.93 2cru s ASN 111 N 1.22 6.46 0.06 1.98 2.47 -1.26 -5.04 114.94 120.83 2cru s ASN 111 Ca -0.02 2.17 -0.04 0.00 0.42 0.00 0.00 52.86 55.38 2cru s ASN 111 Cb -0.17 -2.59 -0.05 0.00 -1.45 0.00 0.00 41.25 36.99 2cru s ASN 111 CO -0.07 -0.71 0.28 -0.60 -3.72 0.00 0.00 177.10 172.29 2cru s ARG 112 N -2.61 3.56 1.26 0.43 6.06 -1.26 -5.10 118.95 121.29 2cru s ARG 112 Ca 0.61 -0.17 -0.19 0.00 -2.50 0.00 0.00 55.73 53.48 2cru s ARG 112 Cb -0.25 -3.01 0.31 0.00 0.06 0.00 0.00 34.95 32.06 2cru s ARG 112 CO 0.31 0.59 1.02 -1.54 -2.50 0.00 0.00 175.30 173.18 2cru s SER 113 N -2.09 0.31 -0.61 -2.12 1.04 -1.26 -5.01 113.70 103.95 2cru s SER 113 Ca 0.33 0.92 0.05 0.00 0.48 0.00 0.00 55.95 57.73 2cru s SER 113 Cb -0.13 -1.35 0.18 0.00 0.10 0.00 0.00 66.02 64.82 2cru s SER 113 CO 0.21 -4.53 0.48 0.61 0.98 0.00 0.00 173.24 170.98 2cru n GLY 114 N 0.24 3.54 3.54 7.32 0.00 -1.26 -5.11 105.19 113.46 2cru n GLY 114 Ca 0.10 -2.23 -0.30 0.00 0.00 0.00 0.00 46.02 43.59 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 2.09 -3.19 -4.10 1.61 -0.04 -1.26 -5.10 135.00 125.01 2cru n PRO 115 Ca 0.23 -1.77 -0.08 0.00 -0.04 0.00 0.00 63.50 61.85 2cru n PRO 115 Cb 0.40 -1.66 -0.10 0.00 -0.04 0.00 0.00 33.50 32.10 2cru n PRO 115 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cru s SER 116 N -4.47 0.44 0.71 3.54 0.15 -1.26 -5.17 113.70 107.63 2cru s SER 116 Ca 0.72 -1.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.28 2cru s SER 116 Cb -0.07 0.23 0.10 0.00 -1.71 0.00 0.00 66.02 64.57 2cru s SER 116 CO 0.55 -0.63 0.99 -0.44 1.20 0.00 0.00 173.24 174.90 2cru s SER 117 N -2.95 4.52 0.00 5.45 0.01 -1.26 -5.35 113.70 114.11 2cru s SER 117 Ca 0.11 -0.04 0.16 0.00 1.31 0.00 0.00 55.95 57.49 2cru s SER 117 Cb 0.08 -0.47 0.12 0.00 0.21 0.00 0.00 66.02 65.97 2cru s SER 117 CO -0.07 -1.74 1.00 0.61 0.41 0.00 0.00 173.24 173.44