#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 6.54 -0.05 1.61 0.01 -1.26 -4.93 113.70 115.63 2cru s SER 2 Ca 0.00 0.24 -0.25 0.00 1.31 0.00 0.00 55.95 57.25 2cru s SER 2 Cb 0.00 -2.44 -0.22 0.00 0.21 0.00 0.00 66.02 63.58 2cru s SER 2 CO 0.00 -0.93 1.10 0.28 0.41 0.00 0.00 173.24 174.10 2cru h SER 3 N 8.82 0.12 0.00 2.44 0.02 -2.14 -3.47 113.55 119.33 2cru h SER 3 Ca -0.24 -0.68 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 2cru h SER 3 Cb 1.08 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2cru h SER 3 CO 0.99 0.79 0.00 0.61 -1.14 0.00 0.00 176.83 178.07 2cru n GLY 4 N 0.77 0.81 3.21 -3.77 0.00 -1.26 -5.12 105.19 99.84 2cru n GLY 4 Ca -0.09 0.60 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 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 5.72 -0.19 1.61 0.15 -1.26 -5.06 113.70 114.67 2cru s SER 5 Ca 0.00 -2.02 -0.26 0.00 0.70 0.00 0.00 55.95 54.37 2cru s SER 5 Cb 0.00 -2.01 -0.01 0.00 -1.71 0.00 0.00 66.02 62.29 2cru s SER 5 CO 0.00 -0.66 0.86 -0.55 1.20 0.00 0.00 173.24 174.09 2cru s SER 6 N 2.50 6.96 0.62 5.45 0.15 -1.26 -5.05 113.70 123.08 2cru s SER 6 Ca 0.07 1.19 -0.08 0.00 0.70 0.00 0.00 55.95 57.83 2cru s SER 6 Cb -0.25 -2.47 -0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2cru s SER 6 CO -0.01 -0.45 0.97 -0.83 1.20 0.00 0.00 173.24 174.11 2cru s GLY 7 N 1.20 1.61 -0.14 9.45 0.00 -1.26 -5.09 107.32 113.08 2cru s GLY 7 Ca 0.39 -0.48 -0.04 0.00 0.00 0.00 0.00 44.72 44.59 2cru s GLY 7 CO 0.11 -0.18 0.17 1.08 0.00 0.00 0.00 173.10 174.28 2cru s LEU 8 N -5.11 -0.01 0.43 0.66 1.43 -1.26 -5.15 118.68 109.67 2cru s LEU 8 Ca 0.55 -0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.67 2cru s LEU 8 Cb -0.11 0.21 -0.07 0.00 0.03 0.00 0.00 46.19 46.25 2cru s LEU 8 CO 0.48 -0.29 0.01 -0.13 0.23 0.00 0.00 176.35 176.65 2cru s ARG 9 N 2.27 2.01 0.18 1.70 0.52 -1.26 -5.16 118.95 119.21 2cru s ARG 9 Ca 0.04 -2.16 -0.01 0.00 -0.52 0.00 0.00 55.73 53.08 2cru s ARG 9 Cb -0.14 -1.62 -0.04 0.00 0.52 0.00 0.00 34.95 33.66 2cru s ARG 9 CO -0.08 -0.11 0.10 1.03 0.02 0.00 0.00 175.30 176.25 2cru s ARG 10 N -3.75 1.10 -0.03 3.54 1.81 -1.26 -5.16 118.95 115.20 2cru s ARG 10 Ca 0.29 -1.56 -0.01 0.00 -1.72 0.00 0.00 55.73 52.73 2cru s ARG 10 Cb 0.08 0.25 0.03 0.00 -0.45 0.00 0.00 34.95 34.86 2cru s ARG 10 CO 0.15 -0.34 0.05 1.14 -0.68 0.00 0.00 175.30 175.62 2cru s GLN 11 N -4.12 -0.03 -0.24 3.54 -2.07 -1.26 -5.12 119.66 110.36 2cru s GLN 11 Ca 0.33 0.30 -0.03 0.00 -1.82 0.00 0.00 55.36 54.15 2cru s GLN 11 Cb 0.07 -0.44 0.13 0.00 -1.09 0.00 0.00 33.01 31.69 2cru s GLN 11 CO 0.08 -0.27 0.39 1.03 -1.32 0.00 0.00 175.29 175.20 2cru s ARG 12 N 1.77 0.36 0.34 9.60 0.52 -1.26 -5.15 118.95 125.13 2cru s ARG 12 Ca -0.00 0.59 -0.08 0.00 -0.52 0.00 0.00 55.73 55.72 2cru s ARG 12 Cb -0.12 -0.38 0.02 0.00 0.52 0.00 0.00 34.95 34.98 2cru s ARG 12 CO -0.03 -0.62 0.58 -0.48 0.02 0.00 0.00 175.30 174.77 2cru s LEU 13 N 2.57 0.58 0.15 2.53 -0.00 -1.26 -5.19 118.68 118.06 2cru s LEU 13 Ca 0.12 -1.29 -0.01 0.00 -0.00 0.00 0.00 54.13 52.96 2cru s LEU 13 Cb -0.15 1.95 -0.04 0.00 -0.00 0.00 0.00 46.19 47.95 2cru s LEU 13 CO -0.16 -1.40 0.07 0.00 -0.00 0.00 0.00 176.35 174.86 2cru s ALA 14 N -2.98 0.95 0.83 1.48 0.00 -1.26 -5.17 121.76 115.60 2cru s ALA 14 Ca 0.24 -1.53 -0.06 0.00 0.00 0.00 0.00 51.96 50.62 2cru s ALA 14 Cb -0.02 0.96 0.13 0.00 0.00 0.00 0.00 23.12 24.19 2cru s ALA 14 CO 0.16 -0.50 0.81 -0.85 0.00 0.00 0.00 175.76 175.38 2cru n GLU 15 N -0.14 -0.43 -3.98 0.00 0.00 -1.26 -5.12 120.64 109.72 2cru n GLU 15 Ca -0.04 -1.64 -0.11 0.00 0.00 0.00 0.00 57.16 55.37 2cru n GLU 15 Cb 0.64 -0.72 -0.12 0.00 0.00 0.00 0.00 31.44 31.24 2cru n GLU 15 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 2cru s LEU 16 N 0.00 2.14 0.49 -1.84 2.34 -1.26 -5.17 118.68 115.38 2cru s LEU 16 Ca 0.49 -0.30 0.04 0.00 0.06 0.00 0.00 54.13 54.43 2cru s LEU 16 Cb -0.02 -0.02 -0.01 0.00 -0.56 0.00 0.00 46.19 45.58 2cru s LEU 16 CO 0.34 -0.14 0.17 -1.10 -1.06 0.00 0.00 176.35 174.56 2cru s GLN 17 N -0.84 2.21 0.43 1.48 1.11 -1.26 -5.16 119.66 117.63 2cru s GLN 17 Ca -0.08 -2.14 0.05 0.00 0.01 0.00 0.00 55.36 53.21 2cru s GLN 17 Cb -0.06 -1.82 -0.06 0.00 -1.01 0.00 0.00 33.01 30.06 2cru s GLN 17 CO -0.00 -0.37 0.01 0.00 0.01 0.00 0.00 175.29 174.94 2cru s ALA 18 N -2.77 3.35 -0.14 6.09 0.00 -1.26 -5.14 121.76 121.89 2cru s ALA 18 Ca 0.24 -1.76 -0.01 0.00 0.00 0.00 0.00 51.96 50.43 2cru s ALA 18 Cb 0.01 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.35 2cru s ALA 18 CO 0.14 -0.11 -0.06 0.15 0.00 0.00 0.00 175.76 175.88 2cru s LYS 19 N -3.77 1.38 0.16 0.00 3.01 -1.26 -5.12 119.74 114.15 2cru s LYS 19 Ca 0.27 -0.35 -0.22 0.00 -1.01 0.00 0.00 55.97 54.66 2cru s LYS 19 Cb 0.08 -1.75 0.06 0.00 -1.01 0.00 0.00 37.83 35.20 2cru s LYS 19 CO 0.14 -0.36 0.57 -1.01 0.51 0.00 0.00 175.35 175.20 2cru s HIS 20 N 1.70 -0.47 -1.05 3.18 3.76 -1.26 -5.07 115.29 116.08 2cru s HIS 20 Ca 0.03 0.23 -0.02 0.00 -0.15 0.00 0.00 55.06 55.15 2cru s HIS 20 Cb -0.14 0.51 0.28 0.00 1.11 0.00 0.00 32.58 34.34 2cru s HIS 20 CO -0.08 -0.84 1.99 0.41 -0.85 0.00 0.00 174.74 175.37 2cru n GLY 21 N -0.36 5.84 3.81 -2.22 0.00 -1.26 -4.98 105.19 106.02 2cru n GLY 21 Ca -0.16 -2.44 -0.25 0.00 0.00 0.00 0.00 46.02 43.17 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 -0.93 5.54 0.00 1.61 1.11 -1.26 -4.99 116.67 117.75 2cru s ASP 22 Ca 0.44 -0.16 0.11 0.00 0.18 0.00 0.00 52.55 53.12 2cru s ASP 22 Cb 0.22 -1.44 0.67 0.00 1.07 0.00 0.00 42.92 43.45 2cru s ASP 22 CO -0.16 0.03 1.11 -0.81 1.18 0.00 0.00 175.17 176.52 2cru n PRO 23 N -0.63 0.49 -0.31 8.23 -0.04 -1.26 -3.80 135.00 137.68 2cru n PRO 23 Ca -0.08 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.52 2cru n PRO 23 Cb 0.56 -1.36 0.32 0.00 -0.04 0.00 0.00 33.50 32.98 2cru n PRO 23 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2cru h GLY 24 N 2.59 1.54 -1.22 0.55 0.00 -1.96 0.12 103.07 104.69 2cru h GLY 24 Ca 0.00 -0.15 0.45 0.00 0.00 0.00 0.00 47.33 47.64 2cru h GLY 24 CO 0.00 -0.30 0.86 -0.55 0.00 0.00 0.00 176.54 176.54 2cru h ASP 25 N 0.36 0.23 -1.60 0.19 3.32 -1.98 0.16 116.42 117.10 2cru h ASP 25 Ca 0.57 0.15 0.47 0.00 0.02 0.00 0.00 57.03 58.24 2cru h ASP 25 Cb 1.12 0.14 -0.07 0.00 0.22 0.00 0.00 39.33 40.75 2cru h ASP 25 CO -0.56 -0.22 1.14 0.00 -1.72 0.00 0.00 179.24 177.88 2cru n ALA 26 N -2.51 1.54 -0.04 3.45 0.00 0.42 0.12 120.51 123.47 2cru n ALA 26 Ca 0.39 0.56 -0.11 0.00 0.00 0.00 0.00 53.44 54.27 2cru n ALA 26 Cb 1.49 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 19.90 2cru n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cru h ALA 27 N 0.87 -0.03 -0.74 0.00 0.00 -0.90 -3.31 119.26 115.15 2cru h ALA 27 Ca 0.77 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 55.33 2cru h ALA 27 Cb 3.06 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 20.83 2cru h ALA 27 CO -0.04 -0.06 0.45 -0.56 0.00 0.00 0.00 179.25 179.03 2cru h GLN 28 N -0.94 1.00 -1.00 0.00 3.07 0.72 -2.24 115.11 115.73 2cru h GLN 28 Ca -0.00 -0.09 0.19 0.00 0.09 0.00 0.00 58.65 58.84 2cru h GLN 28 Cb 0.71 -0.21 -0.10 0.00 0.08 0.00 0.00 27.48 27.96 2cru h GLN 28 CO 0.01 0.70 0.61 1.96 0.09 0.00 0.00 178.83 182.20 2cru h GLN 29 N 1.02 0.72 0.34 0.06 4.20 -0.80 0.89 115.11 121.53 2cru h GLN 29 Ca 0.27 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 2cru h GLN 29 Cb -0.04 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.58 2cru h GLN 29 CO -0.05 0.48 -0.16 0.93 -0.67 0.00 0.00 178.83 179.35 2cru h GLU 30 N 0.74 -0.43 0.33 1.46 4.39 -1.49 -3.23 114.58 116.35 2cru h GLU 30 Ca 0.57 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.29 2cru h GLU 30 Cb 0.91 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.63 2cru h GLU 30 CO -0.35 -0.11 -0.49 0.00 -1.16 0.00 0.00 179.01 176.90 2cru h ALA 31 N -0.46 -1.07 -1.25 3.43 0.00 -1.28 -0.67 119.26 117.95 2cru h ALA 31 Ca -0.05 -0.15 0.36 0.00 0.00 0.00 0.00 54.91 55.07 2cru h ALA 31 Cb 0.53 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 2cru h ALA 31 CO 0.08 -1.14 1.23 0.36 0.00 0.00 0.00 179.25 179.77 2cru n LYS 32 N -5.33 0.01 0.13 0.00 2.85 0.25 0.88 118.16 116.94 2cru n LYS 32 Ca -0.10 0.99 -0.14 0.00 -1.05 0.00 0.00 58.31 58.02 2cru n LYS 32 Cb 0.42 -2.42 -0.08 0.00 -0.65 0.00 0.00 35.03 32.30 2cru n LYS 32 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2cru h HIS 33 N 0.00 -0.28 -0.90 5.58 2.76 -1.13 -3.01 115.15 118.18 2cru h HIS 33 Ca 0.59 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.85 2cru h HIS 33 Cb 3.04 0.09 -0.06 0.00 1.55 0.00 0.00 27.41 32.02 2cru h HIS 33 CO 0.00 -0.01 0.58 0.00 -1.30 0.00 0.00 177.93 177.20 2cru h ARG 34 N -0.52 0.89 -0.26 5.26 2.47 0.44 0.43 114.38 123.09 2cru h ARG 34 Ca -0.03 -0.05 0.08 0.00 -1.26 0.00 0.00 59.98 58.71 2cru h ARG 34 Cb 0.39 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 2cru h ARG 34 CO 0.05 0.59 0.29 1.49 0.56 0.00 0.00 179.97 182.96 2cru h GLU 35 N 0.92 0.00 0.11 0.04 4.81 -1.38 0.45 114.58 119.53 2cru h GLU 35 Ca 0.42 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.31 2cru h GLU 35 Cb 0.37 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2cru h GLU 35 CO -0.18 0.00 -1.77 0.00 -0.73 0.00 0.00 179.01 176.33 2cru h ALA 36 N 1.66 0.41 -0.51 2.92 0.00 -0.91 -3.01 119.26 119.82 2cru h ALA 36 Ca 0.12 -1.29 -0.10 0.00 0.00 0.00 0.00 54.91 53.64 2cru h ALA 36 Cb 0.71 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2cru h ALA 36 CO -0.00 1.28 -0.08 0.93 0.00 0.00 0.00 179.25 181.37 2cru h GLU 37 N 0.06 0.96 0.08 0.00 4.39 -0.70 -1.39 114.58 117.98 2cru h GLU 37 Ca -0.33 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.01 2cru h GLU 37 Cb 2.04 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 2cru h GLU 37 CO 0.12 1.02 -0.04 0.00 -1.16 0.00 0.00 179.01 178.95 2cru h MET 38 N 0.82 -0.11 -0.97 2.33 -0.00 -1.14 -3.09 114.93 112.77 2cru h MET 38 Ca 0.13 0.01 0.10 0.00 -0.00 0.00 0.00 59.70 59.95 2cru h MET 38 Cb 0.64 0.02 -0.08 0.00 -0.00 0.00 0.00 31.60 32.18 2cru h MET 38 CO 0.04 0.38 0.60 0.07 -0.00 0.00 0.00 176.91 178.01 2cru h ARG 39 N -0.68 0.96 0.23 -0.10 0.11 -1.56 -2.14 114.38 111.20 2cru h ARG 39 Ca -0.01 -0.06 0.01 0.00 0.10 0.00 0.00 59.98 60.02 2cru h ARG 39 Cb 0.54 -0.22 -0.03 0.00 1.11 0.00 0.00 29.97 31.37 2cru h ARG 39 CO 0.02 0.64 -0.38 -0.97 0.10 0.00 0.00 179.97 179.38 2cru h ASN 40 N 0.99 -1.07 -0.14 0.08 -0.73 -1.28 -0.17 115.58 113.27 2cru h ASN 40 Ca 0.46 0.11 0.04 0.00 1.87 0.00 0.00 56.30 58.79 2cru h ASN 40 Cb 0.40 0.38 -0.05 0.00 0.27 0.00 0.00 38.32 39.32 2cru h ASN 40 CO -0.24 -0.48 -0.17 -1.28 -0.37 0.00 0.00 177.43 174.88 2cru h SER 41 N -0.68 -0.53 0.09 1.15 0.87 -1.37 -1.25 113.55 111.83 2cru h SER 41 Ca 0.00 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.68 2cru h SER 41 Cb 0.66 0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 62.82 2cru h SER 41 CO -0.15 -0.22 -0.48 0.40 -0.53 0.00 0.00 176.83 175.85 2cru h ILE 42 N -0.21 0.07 -0.23 2.23 2.04 -1.14 0.48 117.51 120.76 2cru h ILE 42 Ca 0.10 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.01 2cru h ILE 42 Cb 0.35 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 36.43 2cru h ILE 42 CO -0.26 0.00 -0.42 -0.07 0.00 0.00 0.00 178.15 177.40 2cru h LEU 43 N -0.69 -1.34 -1.39 1.44 3.38 -0.79 0.10 115.31 116.03 2cru h LEU 43 Ca 0.01 0.19 0.18 0.00 0.09 0.00 0.00 57.88 58.35 2cru h LEU 43 Cb 0.72 0.56 -0.07 0.00 0.09 0.00 0.00 40.66 41.96 2cru h LEU 43 CO -0.29 -0.40 0.58 0.00 0.09 0.00 0.00 178.44 178.42 2cru h ALA 44 N 0.24 2.02 -0.47 1.53 0.00 -0.91 0.15 119.26 121.83 2cru h ALA 44 Ca 0.10 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2cru h ALA 44 Cb 0.61 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2cru h ALA 44 CO -0.46 -0.30 -0.21 1.96 0.00 0.00 0.00 179.25 180.25 2cru h GLN 45 N 0.54 0.95 -0.54 0.00 4.20 0.14 -2.70 115.11 117.70 2cru h GLN 45 Ca 0.46 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2cru h GLN 45 Cb 0.97 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2cru h GLN 45 CO -0.20 1.06 0.00 1.33 -0.67 0.00 0.00 178.83 180.35 2cru n VAL 46 N -4.11 0.93 -3.85 -0.54 0.24 0.01 -4.71 118.33 106.30 2cru n VAL 46 Ca 0.00 -0.69 -0.30 0.00 -2.04 0.00 0.00 64.34 61.32 2cru n VAL 46 Cb 0.45 0.11 -0.16 0.00 -1.47 0.00 0.00 33.84 32.78 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 -1.20 2.41 0.84 1.34 1.43 0.30 -1.68 118.68 122.11 2cru s LEU 47 Ca 0.32 -1.31 -0.13 0.00 -1.03 0.00 0.00 54.13 51.98 2cru s LEU 47 Cb 0.19 -1.02 0.09 0.00 0.03 0.00 0.00 46.19 45.48 2cru s LEU 47 CO 0.18 -0.31 1.14 0.47 0.23 0.00 0.00 176.35 178.05 2cru n ASP 48 N 4.75 0.67 -0.32 2.29 8.00 -0.66 -4.50 116.55 126.78 2cru n ASP 48 Ca -0.07 0.54 0.20 0.00 0.71 0.00 0.00 54.79 56.16 2cru n ASP 48 Cb 0.44 -1.48 0.40 0.00 -0.02 0.00 0.00 41.12 40.46 2cru n ASP 48 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2cru h GLN 49 N -1.15 0.21 0.58 -1.24 4.15 -1.91 -0.12 115.11 115.63 2cru h GLN 49 Ca -0.45 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 58.93 2cru h GLN 49 Cb 1.29 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.93 2cru h GLN 49 CO 0.44 0.14 -0.36 0.77 -1.93 0.00 0.00 178.83 177.89 2cru h SER 50 N 0.22 -0.90 -0.36 -0.69 0.02 -1.91 -3.01 113.55 106.91 2cru h SER 50 Ca 0.67 0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.74 2cru h SER 50 Cb 1.49 0.26 -0.08 0.00 0.14 0.00 0.00 62.40 64.21 2cru h SER 50 CO -0.67 -0.55 -0.19 0.00 -1.14 0.00 0.00 176.83 174.29 2cru h ALA 51 N -1.38 0.07 -0.76 3.77 0.00 -1.47 -2.54 119.26 116.95 2cru h ALA 51 Ca -0.08 0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2cru h ALA 51 Cb 0.70 0.44 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 2cru h ALA 51 CO 0.08 -0.56 -0.45 0.54 0.00 0.00 0.00 179.25 178.85 2cru n ARG 52 N -5.36 -0.34 -0.10 0.00 5.12 -0.18 0.28 116.66 116.08 2cru n ARG 52 Ca 0.01 1.19 -0.06 0.00 -1.93 0.00 0.00 57.85 57.07 2cru n ARG 52 Cb 0.27 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.82 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 0.34 0.10 0.14 7.54 0.00 -1.33 -2.44 119.26 123.61 2cru h ALA 53 Ca 0.12 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.17 2cru h ALA 53 Cb 0.31 0.42 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2cru h ALA 53 CO -0.72 -0.55 -0.48 0.00 0.00 0.00 0.00 179.25 177.50 2cru h ARG 54 N -0.11 -0.68 -0.90 0.00 2.47 -0.03 -0.12 114.38 114.99 2cru h ARG 54 Ca 0.18 0.05 0.09 0.00 -1.26 0.00 0.00 59.98 59.04 2cru h ARG 54 Cb 0.39 0.16 -0.12 0.00 -1.65 0.00 0.00 29.97 28.74 2cru h ARG 54 CO -0.43 -0.46 -0.55 1.25 0.56 0.00 0.00 179.97 180.35 2cru h LEU 55 N -0.71 -1.98 -0.01 3.04 5.85 -0.66 0.56 115.31 121.40 2cru h LEU 55 Ca -0.01 0.31 0.03 0.00 0.84 0.00 0.00 57.88 59.06 2cru h LEU 55 Cb 0.70 0.89 -0.05 0.00 0.37 0.00 0.00 40.66 42.58 2cru h LEU 55 CO -0.25 -0.27 -0.28 -1.28 -0.34 0.00 0.00 178.44 176.03 2cru h SER 56 N -0.06 -0.82 -0.67 1.25 0.87 -1.13 -2.20 113.55 110.79 2cru h SER 56 Ca 0.18 0.11 0.13 0.00 -1.23 0.00 0.00 61.79 60.99 2cru h SER 56 Cb 0.47 0.34 -0.13 0.00 -0.44 0.00 0.00 62.40 62.64 2cru h SER 56 CO -0.89 -0.34 -0.16 -1.13 -0.53 0.00 0.00 176.83 173.78 2cru h ASN 57 N -0.41 -0.61 -0.54 6.23 -1.24 0.78 0.56 115.58 120.35 2cru h ASN 57 Ca 0.07 0.20 0.08 0.00 0.71 0.00 0.00 56.30 57.36 2cru h ASN 57 Cb 0.50 0.41 -0.07 0.00 0.73 0.00 0.00 38.32 39.90 2cru h ASN 57 CO -0.25 -0.22 0.17 0.25 -1.29 0.00 0.00 177.43 176.09 2cru h LEU 58 N 0.00 0.13 -1.48 0.34 5.85 -0.39 -1.33 115.31 118.43 2cru h LEU 58 Ca 0.32 0.08 0.45 0.00 0.84 0.00 0.00 57.88 59.57 2cru h LEU 58 Cb 0.50 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 2cru h LEU 58 CO -0.69 0.09 1.04 0.00 -0.34 0.00 0.00 178.44 178.55 2cru n ALA 59 N -2.48 1.43 0.08 1.25 0.00 0.19 0.12 120.51 121.11 2cru n ALA 59 Ca 0.07 0.58 -0.12 0.00 0.00 0.00 0.00 53.44 53.97 2cru n ALA 59 Cb 0.25 -0.91 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.21 0.49 0.00 3.38 -1.30 -2.97 115.31 114.69 2cru h LEU 60 Ca 0.75 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 58.39 2cru h LEU 60 Cb 2.88 0.06 0.00 0.00 0.09 0.00 0.00 40.66 43.69 2cru h LEU 60 CO -0.11 0.25 -0.24 0.58 0.09 0.00 0.00 178.44 179.01 2cru h VAL 61 N -0.74 0.00 -2.97 1.22 2.07 0.88 -3.42 116.25 113.29 2cru h VAL 61 Ca -0.03 -0.07 -0.57 0.00 0.82 0.00 0.00 66.70 66.85 2cru h VAL 61 Cb 0.51 0.00 -0.40 0.00 -1.52 0.00 0.00 31.29 29.88 2cru h VAL 61 CO 0.04 0.00 -0.77 -1.59 0.02 0.00 0.00 177.57 175.27 2cru s LYS 62 N -4.23 0.61 0.36 1.57 -2.85 -0.62 -4.98 119.74 109.60 2cru s LYS 62 Ca -0.10 -1.06 0.15 0.00 -1.00 0.00 0.00 55.97 53.96 2cru s LYS 62 Cb 0.01 -1.72 0.67 0.00 -2.06 0.00 0.00 37.83 34.72 2cru s LYS 62 CO 0.29 -1.04 1.76 -1.00 0.10 0.00 0.00 175.35 175.46 2cru h PRO 63 N 7.90 0.00 -0.28 1.78 0.13 -1.71 -2.84 132.00 136.97 2cru h PRO 63 Ca -0.12 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.90 2cru h PRO 63 Cb 1.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.12 2cru h PRO 63 CO 0.44 0.42 -0.26 1.05 -0.23 0.00 0.00 178.00 179.42 2cru h GLU 64 N 0.00 0.68 -0.35 0.86 4.11 -1.94 -2.46 114.58 115.47 2cru h GLU 64 Ca -0.00 -0.35 -0.04 0.00 0.07 0.00 0.00 59.36 59.04 2cru h GLU 64 Cb 0.82 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2cru h GLU 64 CO 0.05 0.96 0.08 -0.22 0.07 0.00 0.00 179.01 179.95 2cru h LYS 65 N 0.41 0.57 -0.81 1.06 3.64 -1.97 -2.96 116.57 116.52 2cru h LYS 65 Ca 0.05 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2cru h LYS 65 Cb 0.82 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.52 2cru h LYS 65 CO 0.07 0.62 0.52 1.15 -2.27 0.00 0.00 179.45 179.54 2cru h THR 66 N 0.42 1.14 -0.07 1.00 2.02 -1.51 -2.78 112.91 113.12 2cru h THR 66 Ca 0.11 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 66.98 2cru h THR 66 Cb 0.31 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.70 2cru h THR 66 CO 0.00 0.19 -0.24 0.11 0.37 0.00 0.00 175.52 175.95 2cru h LYS 67 N 1.03 -0.32 -0.50 6.66 1.57 -1.28 -2.12 116.57 121.61 2cru h LYS 67 Ca 0.32 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.22 2cru h LYS 67 Cb -0.02 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 32.26 2cru h LYS 67 CO -0.10 -0.21 -0.20 0.00 -0.57 0.00 0.00 179.45 178.37 2cru h ALA 68 N 0.58 0.18 -0.55 3.86 0.00 -1.36 -0.85 119.26 121.12 2cru h ALA 68 Ca 0.08 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.27 2cru h ALA 68 Cb 0.45 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 2cru h ALA 68 CO -0.26 -0.53 0.11 0.28 0.00 0.00 0.00 179.25 178.84 2cru h VAL 69 N -0.09 0.67 -1.02 0.00 2.07 -1.28 0.08 116.25 116.69 2cru h VAL 69 Ca 0.23 -0.08 0.25 0.00 0.82 0.00 0.00 66.70 67.92 2cru h VAL 69 Cb 0.45 0.41 -0.10 0.00 -1.52 0.00 0.00 31.29 30.53 2cru h VAL 69 CO -0.56 0.04 0.65 -0.33 0.02 0.00 0.00 177.57 177.39 2cru h GLU 70 N 0.24 0.44 0.05 1.57 4.39 -0.52 0.31 114.58 121.07 2cru h GLU 70 Ca 0.28 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.73 2cru h GLU 70 Cb 0.41 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2cru h GLU 70 CO -0.37 0.29 -1.03 -0.97 -1.16 0.00 0.00 179.01 175.77 2cru h ASN 71 N 0.46 0.32 -0.15 1.42 -1.24 -0.80 -3.13 115.58 112.45 2cru h ASN 71 Ca 0.59 -0.30 -0.02 0.00 0.71 0.00 0.00 56.30 57.28 2cru h ASN 71 Cb 1.37 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 40.32 2cru h ASN 71 CO -0.31 1.16 0.03 0.22 -1.29 0.00 0.00 177.43 177.24 2cru h TYR 72 N 0.10 0.27 0.06 0.67 3.20 0.60 -3.07 116.97 118.80 2cru h TYR 72 Ca -0.08 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.77 2cru h TYR 72 Cb 1.72 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.90 2cru h TYR 72 CO 0.04 0.42 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.77 2cru h LEU 73 N 0.04 -0.39 -0.46 2.82 3.38 -1.10 -2.94 115.31 116.66 2cru h LEU 73 Ca 0.05 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2cru h LEU 73 Cb 0.29 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 2cru h LEU 73 CO 0.00 -0.20 -0.36 0.40 0.09 0.00 0.00 178.44 178.37 2cru h ILE 74 N -0.26 0.00 -0.84 1.22 2.04 -1.53 0.12 117.51 118.26 2cru h ILE 74 Ca 0.03 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.03 2cru h ILE 74 Cb 0.29 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.22 2cru h ILE 74 CO -0.09 0.00 -0.34 1.56 0.00 0.00 0.00 178.15 179.28 2cru h GLN 75 N -0.12 -0.05 -0.99 2.37 4.20 -1.45 0.63 115.11 119.70 2cru h GLN 75 Ca 0.07 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.86 2cru h GLN 75 Cb 0.31 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.04 2cru h GLN 75 CO -0.49 -0.04 0.63 0.52 -0.67 0.00 0.00 178.83 178.79 2cru h MET 76 N -0.06 1.10 0.66 1.46 2.86 -0.94 -1.19 114.93 118.84 2cru h MET 76 Ca 0.32 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.86 2cru h MET 76 Cb 0.59 -0.25 0.01 0.00 0.06 0.00 0.00 31.60 32.01 2cru h MET 76 CO -0.87 0.73 -0.32 0.00 1.06 0.00 0.00 176.91 177.51 2cru h ALA 77 N 1.46 -0.96 -0.60 6.32 0.00 0.26 0.02 119.26 125.76 2cru h ALA 77 Ca 0.43 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.27 2cru h ALA 77 Cb 0.20 0.35 -0.12 0.00 0.00 0.00 0.00 17.79 18.21 2cru h ALA 77 CO -0.18 -0.89 -0.20 0.00 0.00 0.00 0.00 179.25 177.98 2cru h ARG 78 N -1.15 -0.05 0.56 0.00 3.08 -0.51 -2.69 114.38 113.62 2cru h ARG 78 Ca -0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 2cru h ARG 78 Cb 0.68 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.75 2cru h ARG 78 CO 0.15 -0.03 -0.27 1.88 -1.07 0.00 0.00 179.97 180.63 2cru h TYR 79 N -0.05 -0.70 0.00 3.04 -1.99 -1.26 -3.48 116.97 112.53 2cru h TYR 79 Ca 0.28 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 61.00 2cru h TYR 79 Cb 0.49 0.23 0.00 0.00 2.00 0.00 0.00 36.73 39.45 2cru h TYR 79 CO -0.54 -0.44 0.00 0.41 -0.00 0.00 0.00 178.16 177.60 2cru n GLY 80 N -1.33 0.45 0.12 3.88 0.00 -0.17 -5.08 105.19 103.06 2cru n GLY 80 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 0.57 -1.54 1.61 6.02 -0.25 -4.83 117.38 118.97 2cru n GLN 81 Ca 0.00 0.33 -0.21 0.00 -0.01 0.00 0.00 57.00 57.11 2cru n GLN 81 Cb 0.00 -1.54 -0.11 0.00 1.02 0.00 0.00 30.24 29.60 2cru n GLN 81 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2cru n LEU 82 N -4.33 0.90 -0.27 1.08 4.77 -1.25 -4.75 117.00 113.15 2cru n LEU 82 Ca -0.43 -0.99 0.08 0.00 -0.03 0.00 0.00 56.01 54.64 2cru n LEU 82 Cb 0.78 -1.30 0.22 0.00 -2.33 0.00 0.00 43.42 40.78 2cru n LEU 82 CO 0.09 -2.04 0.97 0.77 -1.33 0.00 0.00 177.39 175.86 2cru h SER 83 N 13.19 0.13 -5.22 -1.43 4.64 -1.96 -3.44 113.55 119.46 2cru h SER 83 Ca -0.03 0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 2cru h SER 83 Cb 1.10 0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 63.27 2cru h SER 83 CO 1.22 -0.01 -0.08 -1.83 -0.87 0.00 0.00 176.83 175.26 2cru s GLU 84 N -6.00 1.57 0.15 4.77 -1.05 -1.26 -5.13 118.70 111.75 2cru s GLU 84 Ca -0.12 -1.22 -0.30 0.00 -0.15 0.00 0.00 54.97 53.17 2cru s GLU 84 Cb 0.22 0.48 -0.17 0.00 -0.44 0.00 0.00 34.13 34.23 2cru s GLU 84 CO 0.76 -0.66 0.63 1.63 0.95 0.00 0.00 175.26 178.57 2cru n LYS 85 N -0.39 0.00 -2.69 -4.83 5.02 -1.26 -4.85 118.16 109.15 2cru n LYS 85 Ca -0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 2cru n LYS 85 Cb 0.62 -1.08 -0.03 0.00 -0.02 0.00 0.00 35.03 34.52 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 -0.74 4.80 0.31 -0.18 1.01 -0.68 -4.82 120.40 120.10 2cru s VAL 86 Ca 0.68 2.04 -0.07 0.00 0.00 0.00 0.00 61.98 64.63 2cru s VAL 86 Cb -0.97 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.04 2cru s VAL 86 CO 0.54 0.03 0.60 -0.55 0.00 0.00 0.00 175.10 175.72 2cru s SER 87 N 1.09 6.48 0.18 3.32 0.15 -1.26 -1.65 113.70 122.01 2cru s SER 87 Ca 0.49 0.83 -0.10 0.00 0.70 0.00 0.00 55.95 57.86 2cru s SER 87 Cb -0.19 -2.19 0.24 0.00 -1.71 0.00 0.00 66.02 62.17 2cru s SER 87 CO 0.19 -0.23 1.15 1.21 1.20 0.00 0.00 173.24 176.76 2cru n GLU 88 N -0.95 -0.13 -0.07 5.44 2.13 -1.26 0.64 120.64 126.43 2cru n GLU 88 Ca -0.01 1.15 -0.10 0.00 0.66 0.00 0.00 57.16 58.87 2cru n GLU 88 Cb 0.54 -1.71 -0.04 0.00 0.27 0.00 0.00 31.44 30.51 2cru n GLU 88 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2cru h GLN 89 N 0.00 -0.33 0.01 5.31 4.15 -1.99 -1.24 115.11 121.02 2cru h GLN 89 Ca 0.29 0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.76 2cru h GLN 89 Cb 0.48 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.21 2cru h GLN 89 CO -0.75 -0.22 -0.20 0.78 -1.93 0.00 0.00 178.83 176.51 2cru h GLY 90 N -0.34 -0.29 -0.05 2.39 0.00 -0.16 -2.99 103.07 101.62 2cru h GLY 90 Ca 0.13 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.71 2cru h GLY 90 CO -0.48 -0.18 -0.24 -2.00 0.00 0.00 0.00 176.54 173.63 2cru h LEU 91 N -0.33 -0.77 -0.71 3.11 5.85 -0.75 0.27 115.31 121.98 2cru h LEU 91 Ca 0.06 0.09 0.12 0.00 0.84 0.00 0.00 57.88 58.99 2cru h LEU 91 Cb 0.40 0.30 -0.12 0.00 0.37 0.00 0.00 40.66 41.61 2cru h LEU 91 CO -0.18 -0.22 -0.24 -0.38 -0.34 0.00 0.00 178.44 177.08 2cru n ILE 92 N -3.85 -0.34 0.09 4.05 5.41 -0.52 0.77 119.36 124.97 2cru n ILE 92 Ca -0.03 1.64 -0.13 0.00 1.00 0.00 0.00 62.75 65.23 2cru n ILE 92 Cb 0.17 -2.21 -0.08 0.00 -0.71 0.00 0.00 39.64 36.81 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 -0.17 -0.86 0.38 4.39 -1.22 -3.00 114.58 114.10 2cru h GLU 93 Ca 0.28 0.01 0.22 0.00 0.34 0.00 0.00 59.36 60.21 2cru h GLU 93 Cb 0.46 0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 29.00 2cru h GLU 93 CO -0.71 0.02 0.10 0.82 -1.16 0.00 0.00 179.01 178.07 2cru h ILE 94 N -0.33 0.26 -0.89 3.13 2.04 0.24 0.76 117.51 122.72 2cru h ILE 94 Ca -0.02 -0.04 0.20 0.00 1.00 0.00 0.00 64.86 66.00 2cru h ILE 94 Cb 0.26 0.12 -0.07 0.00 -0.74 0.00 0.00 36.82 36.40 2cru h ILE 94 CO 0.03 0.02 0.59 -0.07 0.00 0.00 0.00 178.15 178.72 2cru h LEU 95 N 0.12 0.40 -2.88 1.44 3.38 -1.03 0.62 115.31 117.36 2cru h LEU 95 Ca 0.51 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.44 2cru h LEU 95 Cb 0.99 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 2cru h LEU 95 CO -0.72 0.16 0.10 0.29 0.09 0.00 0.00 178.44 178.36 2cru n LYS 96 N -4.51 3.27 -0.01 1.13 4.01 0.26 -4.02 118.16 118.29 2cru n LYS 96 Ca 0.19 -2.13 -0.03 0.00 -0.51 0.00 0.00 58.31 55.83 2cru n LYS 96 Cb 0.69 -1.98 -0.01 0.00 -0.51 0.00 0.00 35.03 33.22 2cru n LYS 96 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2cru n LYS 97 N 0.19 0.06 0.06 1.97 5.02 0.21 -4.72 118.16 120.96 2cru n LYS 97 Ca 0.24 0.03 0.04 0.00 -2.02 0.00 0.00 58.31 56.59 2cru n LYS 97 Cb 0.99 -0.60 0.43 0.00 -0.02 0.00 0.00 35.03 35.83 2cru n LYS 97 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2cru h VAL 98 N -0.10 1.12 -0.89 -0.18 3.04 -1.61 -2.79 116.25 114.84 2cru h VAL 98 Ca -0.07 -0.35 0.23 0.00 -1.01 0.00 0.00 66.70 65.50 2cru h VAL 98 Cb 1.02 0.75 -0.16 0.00 -2.01 0.00 0.00 31.29 30.90 2cru h VAL 98 CO -0.04 0.14 0.08 -1.28 -1.01 0.00 0.00 177.57 175.45 2cru h SER 99 N 0.42 -0.31 -0.66 3.17 0.87 -1.83 0.96 113.55 116.15 2cru h SER 99 Ca 0.11 0.23 0.12 0.00 -1.23 0.00 0.00 61.79 61.02 2cru h SER 99 Cb 0.08 0.39 -0.12 0.00 -0.44 0.00 0.00 62.40 62.30 2cru h SER 99 CO -0.01 -0.25 -0.30 1.56 -0.53 0.00 0.00 176.83 177.30 2cru h GLN 100 N 0.09 -0.10 -5.86 2.24 1.08 -1.80 -3.45 115.11 107.31 2cru h GLN 100 Ca 0.53 0.01 -0.44 0.00 -1.45 0.00 0.00 58.65 57.29 2cru h GLN 100 Cb 1.05 0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 28.45 2cru h GLN 100 CO -0.77 -0.07 -0.68 1.04 -0.95 0.00 0.00 178.83 177.39 2cru n GLN 101 N -5.45 -4.73 -3.63 1.46 6.02 0.33 -4.93 117.38 106.46 2cru n GLN 101 Ca 0.06 0.59 -0.08 0.00 -0.01 0.00 0.00 57.00 57.56 2cru n GLN 101 Cb 0.36 -5.42 -0.02 0.00 1.02 0.00 0.00 30.24 26.19 2cru n GLN 101 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2cru s THR 102 N -3.18 0.00 -0.02 5.09 -1.32 -1.26 -5.18 115.64 109.77 2cru s THR 102 Ca 0.55 -0.40 -0.03 0.00 -1.21 0.00 0.00 61.69 60.61 2cru s THR 102 Cb -0.28 -1.48 0.00 0.00 -1.51 0.00 0.00 72.50 69.23 2cru s THR 102 CO 0.68 0.00 0.07 -0.70 -2.21 0.00 0.00 174.62 172.46 2cru s GLU 103 N -3.51 0.12 0.00 7.08 2.12 -1.26 -5.05 118.70 118.20 2cru s GLU 103 Ca 0.07 0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.43 2cru s GLU 103 Cb -0.02 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.42 2cru s GLU 103 CO -0.04 -0.02 0.00 1.17 -0.54 0.00 0.00 175.26 175.84 2cru n LYS 104 N 2.86 0.00 -4.37 4.30 3.00 -1.26 -5.03 118.16 117.66 2cru n LYS 104 Ca -0.14 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.80 2cru n LYS 104 Cb 0.59 -0.50 -0.07 0.00 0.00 0.00 0.00 35.03 35.06 2cru n LYS 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2cru n THR 105 N -2.50 -0.75 -4.26 3.15 -2.24 -1.26 -4.92 114.28 101.49 2cru n THR 105 Ca 0.00 -0.16 -0.17 0.00 -2.27 0.00 0.00 64.05 61.45 2cru n THR 105 Cb 0.29 -1.09 -0.13 0.00 -2.10 0.00 0.00 70.33 67.29 2cru n THR 105 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2cru s THR 106 N -3.58 0.75 -0.08 4.28 2.01 -1.26 -5.14 115.64 112.62 2cru s THR 106 Ca 0.55 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.82 2cru s THR 106 Cb -0.31 -0.69 0.03 0.00 0.01 0.00 0.00 72.50 71.54 2cru s THR 106 CO 0.99 -0.01 0.03 -0.89 -0.69 0.00 0.00 174.62 174.05 2cru s THR 107 N -0.66 0.19 -0.01 -0.82 2.01 -1.26 -5.03 115.64 110.07 2cru s THR 107 Ca -0.00 0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.11 2cru s THR 107 Cb -0.06 -0.45 -0.17 0.00 0.01 0.00 0.00 72.50 71.83 2cru s THR 107 CO 0.00 0.16 3.02 1.33 -0.69 0.00 0.00 174.62 178.44 2cru n VAL 108 N 5.20 2.64 -1.52 3.82 0.24 -1.26 -4.90 118.33 122.55 2cru n VAL 108 Ca -0.06 -1.16 -0.41 0.00 -2.04 0.00 0.00 64.34 60.68 2cru n VAL 108 Cb 0.50 -1.81 -0.07 0.00 -1.47 0.00 0.00 33.84 30.99 2cru n VAL 108 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2cru n LYS 109 N 2.11 0.87 -3.30 7.34 3.00 -1.26 -4.84 118.16 122.08 2cru n LYS 109 Ca 0.27 0.09 0.03 0.00 -0.00 0.00 0.00 58.31 58.71 2cru n LYS 109 Cb 0.76 -2.78 -0.03 0.00 0.00 0.00 0.00 35.03 32.98 2cru n LYS 109 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.40 177.52 2cru s PHE 110 N 10.23 -0.76 -0.28 5.64 2.19 -1.26 -5.15 117.98 128.58 2cru s PHE 110 Ca 1.10 1.08 -0.07 0.00 0.33 0.00 0.00 56.93 59.37 2cru s PHE 110 Cb -0.58 0.37 0.14 0.00 -1.31 0.00 0.00 43.02 41.64 2cru s PHE 110 CO 0.37 -0.40 0.59 1.21 1.83 0.00 0.00 175.22 178.82 2cru s ASN 111 N 2.67 -1.02 -0.10 6.13 2.47 -1.26 -5.16 114.94 118.68 2cru s ASN 111 Ca 0.01 1.24 -0.09 0.00 0.42 0.00 0.00 52.86 54.43 2cru s ASN 111 Cb -0.09 2.08 -0.05 0.00 -1.45 0.00 0.00 41.25 41.75 2cru s ASN 111 CO -0.16 -0.24 0.22 -0.60 -3.72 0.00 0.00 177.10 172.60 2cru s ARG 112 N 2.83 3.64 0.06 0.43 6.06 -1.26 -5.10 118.95 125.61 2cru s ARG 112 Ca 0.03 0.02 -0.08 0.00 -2.50 0.00 0.00 55.73 53.20 2cru s ARG 112 Cb -0.13 -3.22 -0.00 0.00 0.06 0.00 0.00 34.95 31.66 2cru s ARG 112 CO -0.19 0.71 0.16 0.45 -2.50 0.00 0.00 175.30 173.93 2cru s SER 113 N -0.90 0.12 -0.58 -2.12 0.15 -1.26 -5.10 113.70 104.01 2cru s SER 113 Ca 0.17 -0.53 0.06 0.00 0.70 0.00 0.00 55.95 56.35 2cru s SER 113 Cb -0.13 0.29 0.29 0.00 -1.71 0.00 0.00 66.02 64.76 2cru s SER 113 CO 0.06 -0.61 0.81 0.61 1.20 0.00 0.00 173.24 175.31 2cru n GLY 114 N 0.41 4.93 3.57 9.45 0.00 -1.26 -5.05 105.19 117.23 2cru n GLY 114 Ca -0.17 -2.62 -0.40 0.00 0.00 0.00 0.00 46.02 42.83 2cru n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cru s PRO 115 N -2.80 2.93 -0.23 1.61 0.04 -1.26 -4.94 135.00 130.35 2cru s PRO 115 Ca 0.43 0.88 -0.15 0.00 0.04 0.00 0.00 61.00 62.21 2cru s PRO 115 Cb 0.22 -4.30 0.07 0.00 0.04 0.00 0.00 34.50 30.53 2cru s PRO 115 CO -0.08 -2.36 0.57 -1.54 0.04 0.00 0.00 177.00 173.63 2cru s SER 116 N 7.11 -0.73 0.31 6.66 1.04 -1.26 -5.15 113.70 121.68 2cru s SER 116 Ca 0.70 1.23 -0.29 0.00 0.48 0.00 0.00 55.95 58.08 2cru s SER 116 Cb -0.16 1.14 -0.10 0.00 0.10 0.00 0.00 66.02 67.00 2cru s SER 116 CO 0.26 -0.22 1.35 -0.55 0.98 0.00 0.00 173.24 175.06 2cru s SER 117 N 1.23 6.73 0.00 7.02 0.15 -1.26 -5.34 113.70 122.23 2cru s SER 117 Ca -0.07 2.69 0.00 0.00 0.70 0.00 0.00 55.95 59.26 2cru s SER 117 Cb -0.06 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2cru s SER 117 CO -0.12 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.33