#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 4.24 0.34 1.61 0.15 -1.26 -4.97 113.70 113.81 2cru s SER 2 Ca 0.00 1.94 -0.28 0.00 0.70 0.00 0.00 55.95 58.31 2cru s SER 2 Cb 0.00 -2.54 -0.10 0.00 -1.71 0.00 0.00 66.02 61.67 2cru s SER 2 CO 0.00 -2.21 1.28 -0.94 1.20 0.00 0.00 173.24 172.56 2cru s SER 3 N -3.10 6.74 0.00 5.45 1.04 -1.26 -4.99 113.70 117.58 2cru s SER 3 Ca 0.63 2.62 0.00 0.00 0.48 0.00 0.00 55.95 59.68 2cru s SER 3 Cb -0.19 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.29 2cru s SER 3 CO 0.54 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2cru n GLY 4 N 0.81 2.98 2.90 7.32 0.00 -1.26 -5.14 105.19 112.80 2cru n GLY 4 Ca 0.01 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 3.37 -0.24 1.61 0.01 -1.26 -5.10 113.70 112.09 2cru s SER 5 Ca 0.00 -0.95 -0.18 0.00 1.31 0.00 0.00 55.95 56.13 2cru s SER 5 Cb 0.00 -1.02 0.07 0.00 0.21 0.00 0.00 66.02 65.27 2cru s SER 5 CO 0.00 -0.22 0.62 -0.55 0.41 0.00 0.00 173.24 173.50 2cru s SER 6 N 1.53 -0.73 -0.39 2.44 0.15 -1.26 -5.10 113.70 110.34 2cru s SER 6 Ca -0.03 1.29 0.00 0.00 0.70 0.00 0.00 55.95 57.92 2cru s SER 6 Cb -0.17 1.25 0.26 0.00 -1.71 0.00 0.00 66.02 65.64 2cru s SER 6 CO -0.07 -0.22 1.10 0.61 1.20 0.00 0.00 173.24 175.86 2cru n GLY 7 N 3.46 -1.13 3.46 9.45 0.00 -1.26 -5.16 105.19 114.02 2cru n GLY 7 Ca -0.17 0.72 -0.34 0.00 0.00 0.00 0.00 46.02 46.23 2cru n GLY 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2cru n LEU 8 N 1.65 0.64 -3.25 0.99 4.32 -1.26 -4.94 117.00 115.15 2cru n LEU 8 Ca 0.05 0.44 -0.31 0.00 -0.02 0.00 0.00 56.01 56.17 2cru n LEU 8 Cb 0.67 -1.25 -0.03 0.00 -1.62 0.00 0.00 43.42 41.19 2cru n LEU 8 CO -0.07 -3.25 0.44 -2.11 -1.22 0.00 0.00 177.39 171.17 2cru n ARG 9 N -1.63 3.58 -1.94 3.23 1.85 -1.26 -5.06 116.66 115.43 2cru n ARG 9 Ca 0.08 -4.77 -0.29 0.00 -1.00 0.00 0.00 57.85 51.87 2cru n ARG 9 Cb 0.52 -2.31 0.14 0.00 -1.05 0.00 0.00 32.46 29.76 2cru n ARG 9 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 2cru s ARG 10 N -3.36 1.29 -0.11 2.89 1.70 -1.26 -5.08 118.95 115.01 2cru s ARG 10 Ca 0.44 -0.19 0.00 0.00 -0.47 0.00 0.00 55.73 55.51 2cru s ARG 10 Cb 0.22 -1.91 0.02 0.00 -0.57 0.00 0.00 34.95 32.71 2cru s ARG 10 CO -0.09 -2.00 -0.11 1.14 -1.08 0.00 0.00 175.30 173.16 2cru s GLN 11 N -5.72 1.81 -0.08 3.89 0.00 -1.26 -5.12 119.66 113.18 2cru s GLN 11 Ca 0.68 -0.39 -0.04 0.00 -0.00 0.00 0.00 55.36 55.61 2cru s GLN 11 Cb -0.07 -1.70 0.04 0.00 0.00 0.00 0.00 33.01 31.27 2cru s GLN 11 CO 0.51 -0.18 0.19 1.03 0.00 0.00 0.00 175.29 176.83 2cru s ARG 12 N 1.38 0.15 -0.17 9.60 1.81 -1.26 -5.13 118.95 125.34 2cru s ARG 12 Ca -0.00 0.41 -0.04 0.00 -1.72 0.00 0.00 55.73 54.37 2cru s ARG 12 Cb -0.13 -0.11 0.06 0.00 -0.45 0.00 0.00 34.95 34.32 2cru s ARG 12 CO -0.06 -0.14 0.08 -1.17 -0.68 0.00 0.00 175.30 173.33 2cru s LEU 13 N 1.00 0.49 -0.24 2.53 0.20 -1.26 -5.12 118.68 116.28 2cru s LEU 13 Ca -0.07 -0.61 -0.28 0.00 0.69 0.00 0.00 54.13 53.86 2cru s LEU 13 Cb -0.09 -0.30 0.15 0.00 -0.43 0.00 0.00 46.19 45.51 2cru s LEU 13 CO -0.06 -0.33 1.15 0.00 -0.29 0.00 0.00 176.35 176.82 2cru s ALA 14 N 2.09 -2.03 -0.13 5.97 0.00 -1.26 -5.16 121.76 121.24 2cru s ALA 14 Ca 0.02 1.74 -0.08 0.00 0.00 0.00 0.00 51.96 53.64 2cru s ALA 14 Cb -0.16 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2cru s ALA 14 CO -0.08 -0.24 0.15 -2.00 0.00 0.00 0.00 175.76 173.59 2cru s GLU 15 N -0.51 3.63 -0.18 0.00 2.12 -1.26 -5.09 118.70 117.42 2cru s GLU 15 Ca 0.03 -0.12 -0.06 0.00 0.36 0.00 0.00 54.97 55.18 2cru s GLU 15 Cb -0.03 -3.24 0.09 0.00 0.26 0.00 0.00 34.13 31.21 2cru s GLU 15 CO -0.05 0.67 0.36 -0.51 -0.54 0.00 0.00 175.26 175.18 2cru s LEU 16 N -0.71 -0.52 0.04 2.70 1.43 -1.26 -4.90 118.68 115.45 2cru s LEU 16 Ca 0.14 0.79 0.04 0.00 -1.03 0.00 0.00 54.13 54.06 2cru s LEU 16 Cb -0.12 1.11 -0.02 0.00 0.03 0.00 0.00 46.19 47.18 2cru s LEU 16 CO 0.03 -0.24 -0.11 -1.10 0.23 0.00 0.00 176.35 175.16 2cru s GLN 17 N 2.54 0.72 0.12 1.70 -0.21 -1.26 -5.03 119.66 118.24 2cru s GLN 17 Ca 0.01 -0.75 -0.18 0.00 0.02 0.00 0.00 55.36 54.46 2cru s GLN 17 Cb -0.12 -0.65 0.06 0.00 1.00 0.00 0.00 33.01 33.30 2cru s GLN 17 CO -0.12 0.15 0.85 0.00 -2.12 0.00 0.00 175.29 174.05 2cru n ALA 18 N 1.71 -2.24 0.00 6.09 0.00 -1.26 -4.87 120.51 119.93 2cru n ALA 18 Ca -0.20 -0.78 -0.00 0.00 0.00 0.00 0.00 53.44 52.46 2cru n ALA 18 Cb 0.55 0.40 -0.00 0.00 0.00 0.00 0.00 19.45 20.40 2cru n ALA 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2cru n LYS 19 N -0.60 0.02 -4.63 0.00 3.00 -1.26 -4.85 118.16 109.84 2cru n LYS 19 Ca -0.01 0.01 -0.28 0.00 -0.00 0.00 0.00 58.31 58.03 2cru n LYS 19 Cb 0.46 -0.21 -0.10 0.00 0.00 0.00 0.00 35.03 35.18 2cru n LYS 19 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2cru s HIS 20 N -1.20 2.25 0.00 5.64 3.76 -1.26 -4.72 115.29 119.76 2cru s HIS 20 Ca -0.01 -0.81 0.00 0.00 -0.15 0.00 0.00 55.06 54.09 2cru s HIS 20 Cb 0.00 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 32.05 2cru s HIS 20 CO 0.02 0.30 0.00 0.41 -0.85 0.00 0.00 174.74 174.62 2cru n GLY 21 N -1.01 -0.79 3.06 -2.22 0.00 -1.26 -4.65 105.19 98.32 2cru n GLY 21 Ca -0.08 0.28 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.00 -0.20 0.00 1.61 -4.77 -1.26 -5.02 116.67 103.03 2cru s ASP 22 Ca 0.00 0.39 0.14 0.00 -3.30 0.00 0.00 52.55 49.78 2cru s ASP 22 Cb 0.00 0.38 0.63 0.00 -1.09 0.00 0.00 42.92 42.84 2cru s ASP 22 CO 0.00 -0.08 1.45 -0.81 0.70 0.00 0.00 175.17 176.43 2cru n PRO 23 N 3.14 0.04 -1.47 2.11 -0.04 -1.26 -4.42 135.00 133.10 2cru n PRO 23 Ca -0.14 0.24 -0.26 0.00 -0.04 0.00 0.00 63.50 63.30 2cru n PRO 23 Cb 0.58 -1.50 -0.21 0.00 -0.04 0.00 0.00 33.50 32.33 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 -0.49 2.18 0.55 0.00 -1.26 -1.32 105.19 104.83 2cru n GLY 24 Ca 0.04 0.25 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 2cru n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2cru n ASP 25 N 6.47 -0.83 0.04 1.61 8.00 -1.26 -4.68 116.55 125.90 2cru n ASP 25 Ca 0.66 0.35 -0.02 0.00 0.71 0.00 0.00 54.79 56.49 2cru n ASP 25 Cb 0.11 -0.83 -0.08 0.00 -0.02 0.00 0.00 41.12 40.31 2cru n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2cru h ALA 26 N 1.19 0.65 0.00 2.24 0.00 -1.41 -3.36 119.26 118.56 2cru h ALA 26 Ca -0.02 -0.91 -0.15 0.00 0.00 0.00 0.00 54.91 53.84 2cru h ALA 26 Cb 0.82 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2cru h ALA 26 CO 0.03 1.03 -1.15 0.00 0.00 0.00 0.00 179.25 179.16 2cru n ALA 27 N -2.39 0.74 -0.26 0.00 0.00 -1.20 -3.74 120.51 113.65 2cru n ALA 27 Ca -0.08 -0.61 0.15 0.00 0.00 0.00 0.00 53.44 52.91 2cru n ALA 27 Cb 0.87 -0.16 0.29 0.00 0.00 0.00 0.00 19.45 20.45 2cru n ALA 27 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2cru n GLN 28 N -4.48 -0.06 -0.08 0.00 -0.06 -1.26 0.22 117.38 111.66 2cru n GLN 28 Ca -0.24 1.14 -0.14 0.00 -2.00 0.00 0.00 57.00 55.76 2cru n GLN 28 Cb 0.54 -1.87 -0.05 0.00 -4.06 0.00 0.00 30.24 24.80 2cru n GLN 28 CO 0.00 0.00 0.00 -0.56 -0.20 0.00 0.00 177.06 176.30 2cru h GLN 29 N 0.00 0.73 0.32 3.69 3.07 -1.76 -2.61 115.11 118.55 2cru h GLN 29 Ca 0.52 -0.44 -0.02 0.00 0.09 0.00 0.00 58.65 58.81 2cru h GLN 29 Cb 1.18 0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.78 2cru h GLN 29 CO -0.70 1.06 -0.15 1.49 0.09 0.00 0.00 178.83 180.62 2cru h GLU 30 N 0.47 -0.41 -0.13 0.06 4.57 0.25 -3.21 114.58 116.16 2cru h GLU 30 Ca 0.02 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2cru h GLU 30 Cb 1.00 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.66 2cru h GLU 30 CO 0.09 -0.27 -0.17 0.00 -1.18 0.00 0.00 179.01 177.48 2cru h ALA 31 N -1.41 -0.43 -1.54 2.92 0.00 0.42 0.28 119.26 119.50 2cru h ALA 31 Ca -0.04 0.00 0.47 0.00 0.00 0.00 0.00 54.91 55.34 2cru h ALA 31 Cb 0.33 0.85 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 2cru h ALA 31 CO 0.07 -0.51 1.07 0.36 0.00 0.00 0.00 179.25 180.25 2cru n LYS 32 N -3.52 -0.01 0.08 0.00 2.85 -0.98 0.24 118.16 116.81 2cru n LYS 32 Ca -0.01 0.99 -0.22 0.00 -1.05 0.00 0.00 58.31 58.02 2cru n LYS 32 Cb 0.10 -2.16 -0.15 0.00 -0.65 0.00 0.00 35.03 32.17 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 0.74 -0.12 5.58 2.76 -0.53 -3.28 115.15 120.30 2cru h HIS 33 Ca 0.80 -0.53 -0.01 0.00 -2.20 0.00 0.00 60.37 58.43 2cru h HIS 33 Cb 3.00 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 31.92 2cru h HIS 33 CO -0.00 1.40 0.04 0.00 -1.30 0.00 0.00 177.93 178.07 2cru h ARG 34 N -0.12 0.20 -0.95 5.26 2.47 0.47 0.61 114.38 122.32 2cru h ARG 34 Ca -0.18 -0.04 0.25 0.00 -1.26 0.00 0.00 59.98 58.75 2cru h ARG 34 Cb 1.83 -0.03 -0.05 0.00 -1.65 0.00 0.00 29.97 30.07 2cru h ARG 34 CO 0.20 0.34 0.65 1.05 0.56 0.00 0.00 179.97 182.78 2cru h GLU 35 N 0.01 0.17 0.02 0.04 4.11 -1.03 0.29 114.58 118.19 2cru h GLU 35 Ca 0.04 -0.01 -0.33 0.00 0.07 0.00 0.00 59.36 59.13 2cru h GLU 35 Cb 0.23 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 2cru h GLU 35 CO -0.00 0.11 -1.99 0.00 0.07 0.00 0.00 179.01 177.21 2cru n ALA 36 N -2.62 1.41 0.32 1.06 0.00 -1.01 -3.50 120.51 116.17 2cru n ALA 36 Ca 0.20 -0.93 0.16 0.00 0.00 0.00 0.00 53.44 52.87 2cru n ALA 36 Cb 0.90 -0.59 0.60 0.00 0.00 0.00 0.00 19.45 20.36 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 0.01 0.00 0.00 0.00 4.39 0.21 -1.10 114.58 118.09 2cru h GLU 37 Ca -0.40 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.14 2cru h GLU 37 Cb 2.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.70 2cru h GLU 37 CO 0.06 0.00 -0.94 0.00 -1.16 0.00 0.00 179.01 176.96 2cru h MET 38 N 0.00 0.00 -0.22 2.33 -0.00 -0.67 -3.35 114.93 113.02 2cru h MET 38 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 2cru h MET 38 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.09 2cru h MET 38 CO 0.00 0.81 0.07 0.07 -0.00 0.00 0.00 176.91 177.86 2cru h ARG 39 N -1.00 0.34 -1.06 -0.10 0.11 -1.59 -1.27 114.38 109.81 2cru h ARG 39 Ca -0.24 -0.07 0.30 0.00 0.10 0.00 0.00 59.98 60.07 2cru h ARG 39 Cb 1.10 -0.05 -0.12 0.00 1.11 0.00 0.00 29.97 32.01 2cru h ARG 39 CO -0.14 0.43 0.65 -0.91 0.10 0.00 0.00 179.97 180.10 2cru h ASN 40 N 0.19 0.49 0.15 0.08 2.35 -1.40 0.90 115.58 118.34 2cru h ASN 40 Ca 0.07 0.13 -0.21 0.00 -0.55 0.00 0.00 56.30 55.75 2cru h ASN 40 Cb 0.23 0.06 0.02 0.00 0.05 0.00 0.00 38.32 38.68 2cru h ASN 40 CO -0.00 0.00 -0.91 -1.28 -1.65 0.00 0.00 177.43 173.59 2cru h SER 41 N 0.38 0.50 0.68 5.81 0.87 -1.62 -2.94 113.55 117.24 2cru h SER 41 Ca 0.67 -0.95 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2cru h SER 41 Cb 1.63 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2cru h SER 41 CO -0.43 1.44 0.00 0.40 -0.53 0.00 0.00 176.83 177.71 2cru h ILE 42 N -0.32 0.00 0.00 2.23 2.04 0.22 -2.19 117.51 119.49 2cru h ILE 42 Ca -0.16 -0.33 -0.16 0.00 1.00 0.00 0.00 64.86 65.21 2cru h ILE 42 Cb 1.70 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 39.05 2cru h ILE 42 CO 0.16 0.00 -1.20 -0.07 0.00 0.00 0.00 178.15 177.04 2cru h LEU 43 N 0.00 0.00 0.00 1.44 3.38 0.68 -3.07 115.31 117.74 2cru h LEU 43 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2cru h LEU 43 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2cru h LEU 43 CO 0.00 0.58 -0.07 0.00 0.09 0.00 0.00 178.44 179.04 2cru n ALA 44 N -2.36 2.43 -0.09 1.53 0.00 -0.84 -1.47 120.51 119.70 2cru n ALA 44 Ca -0.07 -0.10 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 2cru n ALA 44 Cb 0.82 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 2cru n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cru n GLN 45 N -1.84 0.68 0.02 0.00 10.64 -1.09 -4.42 117.38 121.37 2cru n GLN 45 Ca 0.06 0.09 -0.06 0.00 -1.83 0.00 0.00 57.00 55.27 2cru n GLN 45 Cb 0.38 -1.57 -0.11 0.00 -0.86 0.00 0.00 30.24 28.08 2cru n GLN 45 CO 0.00 0.00 0.00 -0.39 -1.83 0.00 0.00 177.06 174.84 2cru h VAL 46 N 0.01 0.99 -3.02 -0.39 -1.51 -1.59 -3.46 116.25 107.27 2cru h VAL 46 Ca -0.52 -2.70 -0.64 0.00 -1.23 0.00 0.00 66.70 61.62 2cru h VAL 46 Cb 2.10 2.44 -0.07 0.00 -2.13 0.00 0.00 31.29 33.63 2cru h VAL 46 CO 0.01 0.56 -0.55 -0.76 -1.23 0.00 0.00 177.57 175.60 2cru s LEU 47 N -6.20 4.08 0.21 4.19 1.43 -0.55 -1.14 118.68 120.70 2cru s LEU 47 Ca -0.02 0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2cru s LEU 47 Cb 0.09 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 2cru s LEU 47 CO 0.82 0.22 0.35 -0.62 0.23 0.00 0.00 176.35 177.34 2cru s ASP 48 N -2.12 6.33 0.39 2.29 2.15 -0.73 -4.66 116.67 120.32 2cru s ASP 48 Ca 0.28 0.15 0.30 0.00 0.43 0.00 0.00 52.55 53.71 2cru s ASP 48 Cb -0.12 -1.90 1.31 0.00 -0.30 0.00 0.00 42.92 41.91 2cru s ASP 48 CO 0.20 -0.04 1.35 1.67 -0.17 0.00 0.00 175.17 178.18 2cru n GLN 49 N -1.09 -0.03 0.00 4.34 -0.06 -1.26 -0.69 117.38 118.60 2cru n GLN 49 Ca -0.08 1.07 0.00 0.00 -2.00 0.00 0.00 57.00 56.00 2cru n GLN 49 Cb 0.56 -2.15 0.00 0.00 -4.06 0.00 0.00 30.24 24.59 2cru n GLN 49 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2cru n SER 50 N -4.37 0.00 -0.19 1.69 7.64 -1.26 -2.46 113.62 114.67 2cru n SER 50 Ca 0.35 0.82 0.29 0.00 1.01 0.00 0.00 58.87 61.34 2cru n SER 50 Cb 1.40 -0.40 0.72 0.00 -1.01 0.00 0.00 64.21 64.91 2cru n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2cru h ALA 51 N -2.00 2.84 -0.33 -0.43 0.00 -1.25 -0.04 119.26 118.05 2cru h ALA 51 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2cru h ALA 51 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2cru h ALA 51 CO 0.00 -1.11 0.17 0.00 0.00 0.00 0.00 179.25 178.31 2cru h ARG 52 N 0.01 0.33 0.83 0.00 2.47 -0.84 0.30 114.38 117.49 2cru h ARG 52 Ca 0.44 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 59.09 2cru h ARG 52 Cb 1.73 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 29.98 2cru h ARG 52 CO -0.01 0.22 -0.40 0.00 0.56 0.00 0.00 179.97 180.34 2cru h ALA 53 N 1.17 -1.12 -0.36 0.04 0.00 -0.67 -2.40 119.26 115.93 2cru h ALA 53 Ca 0.14 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.87 2cru h ALA 53 Cb 0.05 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2cru h ALA 53 CO -0.09 -1.05 -0.04 -0.09 0.00 0.00 0.00 179.25 177.98 2cru h ARG 54 N -1.26 0.06 -1.00 0.00 1.12 -1.48 -0.83 114.38 110.98 2cru h ARG 54 Ca -0.11 -0.00 0.21 0.00 -1.11 0.00 0.00 59.98 58.96 2cru h ARG 54 Cb 0.86 -0.01 -0.11 0.00 -0.01 0.00 0.00 29.97 30.70 2cru h ARG 54 CO 0.19 0.04 0.61 1.25 -3.11 0.00 0.00 179.97 178.94 2cru h LEU 55 N 0.06 0.74 -0.17 3.80 5.85 -0.40 -0.35 115.31 124.83 2cru h LEU 55 Ca 0.17 0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.92 2cru h LEU 55 Cb 0.25 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2cru h LEU 55 CO -0.32 0.22 -0.20 -1.28 -0.34 0.00 0.00 178.44 176.51 2cru h SER 56 N 0.69 0.48 -0.83 1.25 0.87 -0.67 -3.17 113.55 112.18 2cru h SER 56 Ca 0.60 -0.50 0.09 0.00 -1.23 0.00 0.00 61.79 60.76 2cru h SER 56 Cb 1.02 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.77 2cru h SER 56 CO -0.40 0.88 0.48 -0.55 -0.53 0.00 0.00 176.83 176.70 2cru h ASN 57 N 0.09 0.68 -0.68 6.23 -1.07 0.06 -1.67 115.58 119.23 2cru h ASN 57 Ca 0.02 0.05 0.10 0.00 0.07 0.00 0.00 56.30 56.54 2cru h ASN 57 Cb 0.76 -0.08 -0.08 0.00 -2.07 0.00 0.00 38.32 36.85 2cru h ASN 57 CO 0.05 0.39 0.29 0.25 0.07 0.00 0.00 177.43 178.48 2cru h LEU 58 N 0.80 0.34 -0.97 6.14 5.85 -1.18 0.23 115.31 126.51 2cru h LEU 58 Ca 0.40 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.30 2cru h LEU 58 Cb 0.36 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2cru h LEU 58 CO -0.25 0.19 0.86 0.00 -0.34 0.00 0.00 178.44 178.89 2cru h ALA 59 N 1.44 2.17 0.00 1.25 0.00 -1.30 0.18 119.26 123.00 2cru h ALA 59 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2cru h ALA 59 Cb 0.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2cru h ALA 59 CO -0.31 -1.04 -0.07 -0.07 0.00 0.00 0.00 179.25 177.76 2cru h LEU 60 N 0.00 0.00 -1.00 0.00 3.38 -1.05 -3.16 115.31 113.48 2cru h LEU 60 Ca 0.17 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.23 2cru h LEU 60 Cb 1.88 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.56 2cru h LEU 60 CO -0.00 0.45 0.64 1.62 0.09 0.00 0.00 178.44 181.24 2cru h VAL 61 N -0.83 1.02 -0.68 1.22 3.04 -1.12 -3.41 116.25 115.49 2cru h VAL 61 Ca 0.00 -0.38 0.14 0.00 -1.01 0.00 0.00 66.70 65.45 2cru h VAL 61 Cb 0.07 -0.18 -0.21 0.00 -2.01 0.00 0.00 31.29 28.96 2cru h VAL 61 CO 0.00 0.20 -0.13 -1.59 -1.01 0.00 0.00 177.57 175.04 2cru s LYS 62 N -6.01 0.39 0.54 4.17 -2.85 0.46 -5.02 119.74 111.41 2cru s LYS 62 Ca -0.12 0.58 0.32 0.00 -1.00 0.00 0.00 55.97 55.75 2cru s LYS 62 Cb 0.21 0.31 1.34 0.00 -2.06 0.00 0.00 37.83 37.63 2cru s LYS 62 CO 0.81 -0.52 1.98 -1.00 0.10 0.00 0.00 175.35 176.72 2cru h PRO 63 N 7.89 0.00 0.19 1.78 0.13 -1.69 -3.30 132.00 137.00 2cru h PRO 63 Ca -0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 2cru h PRO 63 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2cru h PRO 63 CO 0.08 0.04 -0.15 0.93 -0.23 0.00 0.00 178.00 178.66 2cru h GLU 64 N 0.00 -0.32 -0.47 0.86 4.39 -1.92 -2.41 114.58 114.71 2cru h GLU 64 Ca -0.00 0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.78 2cru h GLU 64 Cb 0.52 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.16 2cru h GLU 64 CO 0.01 -0.22 -0.53 0.87 -1.16 0.00 0.00 179.01 177.98 2cru h LYS 65 N -0.34 -0.33 -0.77 2.33 1.79 -1.96 -2.06 116.57 115.23 2cru h LYS 65 Ca -0.03 0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 2cru h LYS 65 Cb 0.28 0.08 -0.09 0.00 -1.58 0.00 0.00 32.23 30.91 2cru h LYS 65 CO 0.00 -0.22 -0.46 2.41 -1.08 0.00 0.00 179.45 180.11 2cru n THR 66 N -5.38 -0.53 -0.08 -0.16 -1.04 -1.20 -0.95 114.28 104.94 2cru n THR 66 Ca -0.02 2.09 -0.04 0.00 -2.04 0.00 0.00 64.05 64.04 2cru n THR 66 Cb 0.34 -2.61 -0.03 0.00 -1.82 0.00 0.00 70.33 66.21 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 -0.07 -0.84 -2.82 1.57 -0.85 0.11 116.57 113.67 2cru h LYS 67 Ca 0.12 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 59.11 2cru h LYS 67 Cb 0.32 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.49 2cru h LYS 67 CO -0.73 -0.04 -0.04 0.00 -0.57 0.00 0.00 179.45 178.07 2cru h ALA 68 N -0.75 0.84 0.31 3.86 0.00 -1.02 -0.95 119.26 121.54 2cru h ALA 68 Ca 0.03 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2cru h ALA 68 Cb 0.16 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2cru h ALA 68 CO -0.23 -0.45 -0.50 0.28 0.00 0.00 0.00 179.25 178.35 2cru h VAL 69 N 0.06 0.04 -0.69 0.00 2.07 0.78 0.17 116.25 118.67 2cru h VAL 69 Ca 0.46 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.07 2cru h VAL 69 Cb 0.83 0.04 -0.11 0.00 -1.52 0.00 0.00 31.29 30.53 2cru h VAL 69 CO -0.78 0.00 -0.47 -0.33 0.02 0.00 0.00 177.57 176.01 2cru h GLU 70 N -0.87 -0.17 -0.97 1.57 3.07 0.28 0.28 114.58 117.78 2cru h GLU 70 Ca -0.03 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.88 2cru h GLU 70 Cb 0.81 0.04 -0.06 0.00 -0.84 0.00 0.00 28.75 28.70 2cru h GLU 70 CO -0.17 -0.11 0.63 -0.97 -1.40 0.00 0.00 179.01 176.99 2cru h ASN 71 N -0.17 1.05 -0.41 1.42 -1.24 -1.18 -1.60 115.58 113.44 2cru h ASN 71 Ca 0.19 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.22 2cru h ASN 71 Cb 0.55 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.32 2cru h ASN 71 CO -0.76 0.72 0.22 0.22 -1.29 0.00 0.00 177.43 176.54 2cru h TYR 72 N 1.22 0.41 0.56 0.67 3.20 0.25 -2.58 116.97 120.70 2cru h TYR 72 Ca 0.38 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.24 2cru h TYR 72 Cb 0.00 -0.12 0.01 0.00 1.54 0.00 0.00 36.73 38.15 2cru h TYR 72 CO -0.01 0.22 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.40 2cru h LEU 73 N 0.45 -0.64 -1.00 2.82 3.38 -0.29 -2.98 115.31 117.05 2cru h LEU 73 Ca 0.17 -0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.23 2cru h LEU 73 Cb 0.05 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 40.83 2cru h LEU 73 CO -0.10 -0.35 -0.49 0.40 0.09 0.00 0.00 178.44 177.98 2cru h ILE 74 N -0.91 0.00 -0.94 1.22 2.04 -1.21 0.79 117.51 118.50 2cru h ILE 74 Ca -0.08 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.98 2cru h ILE 74 Cb 0.63 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.61 2cru h ILE 74 CO 0.13 0.00 0.52 1.56 0.00 0.00 0.00 178.15 180.36 2cru h GLN 75 N -0.00 0.61 -0.11 2.37 4.20 -1.46 0.32 115.11 121.04 2cru h GLN 75 Ca 0.25 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 2cru h GLN 75 Cb 0.50 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2cru h GLN 75 CO -0.97 0.41 -0.40 0.52 -0.67 0.00 0.00 178.83 177.72 2cru h MET 76 N 0.63 0.24 0.49 1.46 2.86 0.63 -3.04 114.93 118.21 2cru h MET 76 Ca 0.56 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 58.06 2cru h MET 76 Cb 0.92 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 2cru h MET 76 CO -0.42 0.61 -0.24 0.00 1.06 0.00 0.00 176.91 177.92 2cru h ALA 77 N 1.38 -0.66 -0.72 6.32 0.00 0.21 -0.90 119.26 124.88 2cru h ALA 77 Ca 0.02 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.86 2cru h ALA 77 Cb 0.80 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 2cru h ALA 77 CO 0.06 -0.63 -0.51 0.00 0.00 0.00 0.00 179.25 178.17 2cru h ARG 78 N -1.15 -0.16 -0.27 0.00 3.08 -1.14 -0.16 114.38 114.58 2cru h ARG 78 Ca -0.07 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.04 2cru h ARG 78 Cb 0.54 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 2cru h ARG 78 CO 0.11 -0.11 -0.03 1.88 -1.07 0.00 0.00 179.97 180.75 2cru h TYR 79 N -0.17 -0.07 0.00 3.04 -1.99 -1.63 -3.47 116.97 112.67 2cru h TYR 79 Ca 0.17 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.92 2cru h TYR 79 Cb 0.53 0.07 0.00 0.00 2.00 0.00 0.00 36.73 39.33 2cru h TYR 79 CO -0.83 -0.08 0.00 0.41 -0.00 0.00 0.00 178.16 177.66 2cru n GLY 80 N -1.23 1.75 0.12 3.88 0.00 -0.07 -5.05 105.19 104.60 2cru n GLY 80 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2cru n GLY 80 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2cru h GLN 81 N 0.00 0.30 -6.46 1.61 1.08 -1.41 -3.46 115.11 106.77 2cru h GLN 81 Ca 0.00 -0.51 -0.60 0.00 -1.45 0.00 0.00 58.65 56.08 2cru h GLN 81 Cb 0.00 0.19 0.06 0.00 -0.05 0.00 0.00 27.48 27.68 2cru h GLN 81 CO 0.00 1.25 0.71 1.28 -0.95 0.00 0.00 178.83 181.12 2cru n LEU 82 N -4.03 2.79 -0.09 1.46 4.77 -1.23 -4.92 117.00 115.75 2cru n LEU 82 Ca -0.18 1.10 -0.12 0.00 -0.03 0.00 0.00 56.01 56.78 2cru n LEU 82 Cb 0.87 -1.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.54 2cru n LEU 82 CO 0.47 -0.47 -0.62 -0.24 -1.33 0.00 0.00 177.39 175.20 2cru n SER 83 N 3.13 1.88 -4.54 -1.43 2.88 -1.26 -5.04 113.62 109.24 2cru n SER 83 Ca 0.17 0.46 -0.27 0.00 -1.33 0.00 0.00 58.87 57.90 2cru n SER 83 Cb 0.27 -0.83 -0.10 0.00 -0.75 0.00 0.00 64.21 62.80 2cru n SER 83 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2cru s GLU 84 N -2.53 1.94 0.25 -1.46 -1.05 -1.26 -5.11 118.70 109.47 2cru s GLU 84 Ca -0.25 -2.15 -0.30 0.00 -0.15 0.00 0.00 54.97 52.13 2cru s GLU 84 Cb 0.05 -1.27 -0.10 0.00 -0.44 0.00 0.00 34.13 32.38 2cru s GLU 84 CO 0.38 -0.23 1.40 0.15 0.95 0.00 0.00 175.26 177.90 2cru s LYS 85 N -3.80 4.30 0.14 -4.83 1.02 -1.26 -4.97 119.74 110.34 2cru s LYS 85 Ca 0.26 2.24 -0.30 0.00 0.02 0.00 0.00 55.97 58.19 2cru s LYS 85 Cb 0.06 -3.13 -0.07 0.00 -0.52 0.00 0.00 37.83 34.18 2cru s LYS 85 CO 0.13 -0.36 1.08 0.08 -0.92 0.00 0.00 175.35 175.36 2cru s VAL 86 N -0.09 4.06 0.35 3.17 1.01 -0.29 -4.78 120.40 123.83 2cru s VAL 86 Ca 0.58 1.71 0.08 0.00 0.00 0.00 0.00 61.98 64.34 2cru s VAL 86 Cb -0.40 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 31.86 2cru s VAL 86 CO 0.43 0.26 0.31 -0.55 0.00 0.00 0.00 175.10 175.55 2cru s SER 87 N 0.08 5.23 0.10 3.32 0.15 -1.26 -1.77 113.70 119.54 2cru s SER 87 Ca 0.50 -0.55 -0.18 0.00 0.70 0.00 0.00 55.95 56.42 2cru s SER 87 Cb -0.28 -0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 63.10 2cru s SER 87 CO 0.33 -0.41 1.17 1.21 1.20 0.00 0.00 173.24 176.74 2cru n GLU 88 N -1.40 -0.26 -0.17 5.44 2.13 -1.26 -0.34 120.64 124.77 2cru n GLU 88 Ca -0.01 1.15 -0.10 0.00 0.66 0.00 0.00 57.16 58.86 2cru n GLU 88 Cb 0.60 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 30.55 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 -0.28 -0.61 5.31 4.20 -1.97 -0.43 115.11 121.33 2cru h GLN 89 Ca 0.10 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.93 2cru h GLN 89 Cb 0.24 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.01 2cru h GLN 89 CO -0.56 -0.19 0.19 0.78 -0.67 0.00 0.00 178.83 178.38 2cru h GLY 90 N -0.29 0.83 0.09 3.46 0.00 -1.20 -2.90 103.07 103.06 2cru h GLY 90 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2cru h GLY 90 CO -0.64 -0.06 -0.27 -2.00 0.00 0.00 0.00 176.54 173.57 2cru h LEU 91 N 0.35 -0.80 -0.79 3.11 5.85 0.96 -2.33 115.31 121.66 2cru h LEU 91 Ca 0.31 0.08 0.15 0.00 0.84 0.00 0.00 57.88 59.26 2cru h LEU 91 Cb 0.42 0.29 -0.14 0.00 0.37 0.00 0.00 40.66 41.60 2cru h LEU 91 CO -0.35 -0.29 -0.22 -0.38 -0.34 0.00 0.00 178.44 176.86 2cru n ILE 92 N -3.98 -0.35 -0.34 4.05 5.41 -0.75 0.24 119.36 123.64 2cru n ILE 92 Ca -0.05 1.81 0.06 0.00 1.00 0.00 0.00 62.75 65.57 2cru n ILE 92 Cb 0.21 -2.48 0.22 0.00 -0.71 0.00 0.00 39.64 36.88 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 0.92 -0.02 0.38 4.39 -1.32 0.17 114.58 119.11 2cru h GLU 93 Ca 0.35 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.92 2cru h GLU 93 Cb 0.55 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2cru h GLU 93 CO -0.80 0.61 -0.38 0.82 -1.16 0.00 0.00 179.01 178.10 2cru h ILE 94 N 0.95 1.28 0.00 3.13 2.04 0.35 -0.78 117.51 124.47 2cru h ILE 94 Ca 0.47 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 2cru h ILE 94 Cb 0.44 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2cru h ILE 94 CO -0.26 0.38 -0.08 -0.07 0.00 0.00 0.00 178.15 178.13 2cru h LEU 95 N 0.03 0.00 -0.43 1.44 3.38 0.31 0.29 115.31 120.33 2cru h LEU 95 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2cru h LEU 95 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2cru h LEU 95 CO 0.05 0.08 -0.52 0.29 0.09 0.00 0.00 178.44 178.43 2cru n LYS 96 N -3.26 1.91 -0.10 1.13 5.02 -0.89 -4.42 118.16 117.54 2cru n LYS 96 Ca -0.00 -0.39 -0.13 0.00 -2.02 0.00 0.00 58.31 55.77 2cru n LYS 96 Cb 0.29 -1.23 -0.13 0.00 -0.02 0.00 0.00 35.03 33.95 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 -0.75 0.79 0.02 1.97 -0.00 -0.35 -4.30 118.16 115.54 2cru n LYS 97 Ca 0.05 0.07 0.07 0.00 -0.00 0.00 0.00 58.31 58.49 2cru n LYS 97 Cb 0.28 -1.47 0.30 0.00 -0.00 0.00 0.00 35.03 34.14 2cru n LYS 97 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2cru n VAL 98 N -2.94 1.11 -0.34 0.58 3.14 0.99 -2.82 118.33 118.04 2cru n VAL 98 Ca -0.36 0.29 -0.03 0.00 -2.96 0.00 0.00 64.34 61.28 2cru n VAL 98 Cb 1.02 -1.10 0.09 0.00 -1.06 0.00 0.00 33.84 32.79 2cru n VAL 98 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 2cru h SER 99 N 0.00 1.06 0.19 6.55 4.64 -1.77 -2.92 113.55 121.30 2cru h SER 99 Ca 0.00 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2cru h SER 99 Cb 0.23 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2cru h SER 99 CO 0.00 0.77 -0.09 -0.61 -0.87 0.00 0.00 176.83 176.03 2cru h GLN 100 N 1.25 -0.25 -7.23 4.77 5.75 -1.81 -3.44 115.11 114.15 2cru h GLN 100 Ca 0.33 0.02 -0.50 0.00 -0.15 0.00 0.00 58.65 58.36 2cru h GLN 100 Cb -0.13 0.06 0.20 0.00 1.07 0.00 0.00 27.48 28.68 2cru h GLN 100 CO -0.07 -0.04 0.16 -0.65 -2.65 0.00 0.00 178.83 175.58 2cru s GLN 101 N -5.48 0.41 0.57 1.69 -1.52 -1.10 -5.05 119.66 109.18 2cru s GLN 101 Ca -0.15 1.36 0.06 0.00 -1.95 0.00 0.00 55.36 54.69 2cru s GLN 101 Cb 0.04 -1.67 0.06 0.00 -0.22 0.00 0.00 33.01 31.22 2cru s GLN 101 CO 0.63 -2.98 0.51 -2.37 -0.25 0.00 0.00 175.29 170.82 2cru n THR 102 N -4.46 0.00 -3.40 -0.19 5.66 -1.26 -4.99 114.28 105.64 2cru n THR 102 Ca 0.09 -2.17 -0.21 0.00 -3.05 0.00 0.00 64.05 58.71 2cru n THR 102 Cb 0.53 -0.12 -0.00 0.00 -1.55 0.00 0.00 70.33 69.19 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 -4.39 2.51 0.21 1.09 2.02 -1.26 -4.98 118.70 113.90 2cru s GLU 103 Ca 0.38 -1.57 0.09 0.00 0.02 0.00 0.00 54.97 53.89 2cru s GLU 103 Cb -0.03 -2.46 -0.05 0.00 0.10 0.00 0.00 34.13 31.69 2cru s GLU 103 CO 0.24 -0.40 -0.18 0.21 0.02 0.00 0.00 175.26 175.15 2cru s LYS 104 N -4.30 1.41 0.61 1.61 2.47 -1.26 -5.06 119.74 115.21 2cru s LYS 104 Ca 0.50 -1.56 -0.04 0.00 -1.56 0.00 0.00 55.97 53.31 2cru s LYS 104 Cb -0.05 -1.41 0.03 0.00 -1.46 0.00 0.00 37.83 34.94 2cru s LYS 104 CO 0.30 0.27 0.89 0.95 0.16 0.00 0.00 175.35 177.92 2cru s THR 105 N -2.42 3.07 0.92 3.43 -4.23 -1.26 -5.09 115.64 110.06 2cru s THR 105 Ca 0.22 -0.26 -0.13 0.00 -1.18 0.00 0.00 61.69 60.34 2cru s THR 105 Cb -0.04 -3.23 0.21 0.00 1.34 0.00 0.00 72.50 70.78 2cru s THR 105 CO 0.09 -0.22 1.25 0.35 -0.54 0.00 0.00 174.62 175.56 2cru n THR 106 N -2.60 0.00 -4.45 3.99 -2.24 -1.26 -5.11 114.28 102.62 2cru n THR 106 Ca 0.06 -1.09 -0.26 0.00 -2.27 0.00 0.00 64.05 60.49 2cru n THR 106 Cb 0.59 -1.39 -0.10 0.00 -2.10 0.00 0.00 70.33 67.33 2cru n THR 106 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2cru s THR 107 N -3.72 2.30 0.25 4.28 -1.32 -1.26 -5.13 115.64 111.03 2cru s THR 107 Ca 0.73 -2.01 -0.21 0.00 -1.21 0.00 0.00 61.69 58.99 2cru s THR 107 Cb -0.02 -2.84 -0.09 0.00 -1.51 0.00 0.00 72.50 68.04 2cru s THR 107 CO 0.51 -0.12 0.77 0.54 -2.21 0.00 0.00 174.62 174.11 2cru s VAL 108 N -2.61 4.50 -0.06 5.08 0.11 -1.26 -5.08 120.40 121.08 2cru s VAL 108 Ca 0.35 1.39 -0.09 0.00 -2.93 0.00 0.00 61.98 60.69 2cru s VAL 108 Cb 0.04 -3.88 0.02 0.00 -1.53 0.00 0.00 36.38 31.03 2cru s VAL 108 CO 0.19 0.17 0.23 -0.75 -3.33 0.00 0.00 175.10 171.61 2cru s LYS 109 N -2.04 0.41 -0.11 1.54 2.47 -1.26 -5.15 119.74 115.60 2cru s LYS 109 Ca 0.45 0.07 -0.02 0.00 -1.56 0.00 0.00 55.97 54.91 2cru s LYS 109 Cb -0.17 0.18 0.04 0.00 -1.46 0.00 0.00 37.83 36.43 2cru s LYS 109 CO 0.21 -0.08 0.01 -0.59 0.16 0.00 0.00 175.35 175.07 2cru s PHE 110 N -0.50 0.77 -0.21 4.03 -0.71 -1.26 -4.67 117.98 115.43 2cru s PHE 110 Ca -0.06 -0.39 -0.14 0.00 -1.04 0.00 0.00 56.93 55.30 2cru s PHE 110 Cb -0.04 -0.87 0.06 0.00 -1.21 0.00 0.00 43.02 40.96 2cru s PHE 110 CO 0.01 -0.42 0.54 0.54 -1.34 0.00 0.00 175.22 174.55 2cru s ASN 111 N 1.94 -0.66 0.40 1.98 2.20 -1.26 -5.00 114.94 114.53 2cru s ASN 111 Ca 0.03 1.15 -0.24 0.00 -0.94 0.00 0.00 52.86 52.86 2cru s ASN 111 Cb -0.14 1.06 -0.09 0.00 -2.00 0.00 0.00 41.25 40.09 2cru s ASN 111 CO -0.06 -0.21 1.04 -0.60 -2.94 0.00 0.00 177.10 174.33 2cru s ARG 112 N 1.13 4.18 -0.26 3.55 3.52 -1.26 -3.27 118.95 126.53 2cru s ARG 112 Ca -0.07 1.49 0.02 0.00 -0.13 0.00 0.00 55.73 57.04 2cru s ARG 112 Cb -0.06 -2.53 0.05 0.00 -1.56 0.00 0.00 34.95 30.85 2cru s ARG 112 CO -0.11 -0.13 -0.10 -1.54 -0.81 0.00 0.00 175.30 172.61 2cru s SER 113 N -1.59 4.34 -0.05 -2.12 1.04 -1.26 -4.48 113.70 109.58 2cru s SER 113 Ca 0.58 -1.26 -0.10 0.00 0.48 0.00 0.00 55.95 55.65 2cru s SER 113 Cb -0.21 -1.57 0.02 0.00 0.10 0.00 0.00 66.02 64.35 2cru s SER 113 CO 0.27 -0.17 0.24 -0.83 0.98 0.00 0.00 173.24 173.73 2cru s GLY 114 N 1.16 -0.12 -0.20 7.32 0.00 -1.26 -5.06 107.32 109.15 2cru s GLY 114 Ca -0.06 0.41 -0.29 0.00 0.00 0.00 0.00 44.72 44.78 2cru s GLY 114 CO -0.05 0.28 1.60 2.56 0.00 0.00 0.00 173.10 177.48 2cru s PRO 115 N -0.60 3.86 -0.42 2.90 0.04 -1.26 -4.79 135.00 134.73 2cru s PRO 115 Ca -0.07 1.71 -0.27 0.00 0.04 0.00 0.00 61.00 62.40 2cru s PRO 115 Cb -0.04 -4.02 -0.03 0.00 0.04 0.00 0.00 34.50 30.45 2cru s PRO 115 CO 0.02 -1.22 1.97 0.45 0.04 0.00 0.00 177.00 178.25 2cru s SER 116 N 4.02 5.44 0.22 6.66 0.15 -1.26 -4.93 113.70 123.99 2cru s SER 116 Ca 0.71 1.09 -0.31 0.00 0.70 0.00 0.00 55.95 58.13 2cru s SER 116 Cb -0.25 -2.52 -0.11 0.00 -1.71 0.00 0.00 66.02 61.42 2cru s SER 116 CO 0.28 -2.11 1.65 -0.55 1.20 0.00 0.00 173.24 173.71 2cru s SER 117 N 7.89 6.44 0.00 5.45 0.15 -1.26 -5.24 113.70 127.13 2cru s SER 117 Ca 0.82 2.82 0.00 0.00 0.70 0.00 0.00 55.95 60.29 2cru s SER 117 Cb -0.20 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.50 2cru s SER 117 CO 0.29 -0.92 0.00 0.61 1.20 0.00 0.00 173.24 174.43