#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crm s SER 2 N 0.00 -0.23 0.14 1.61 1.04 -1.26 -5.19 113.70 109.80 2crm s SER 2 Ca 0.00 -0.53 -0.06 0.00 0.48 0.00 0.00 55.95 55.84 2crm s SER 2 Cb 0.00 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 2crm s SER 2 CO 0.00 -1.19 0.19 -0.55 0.98 0.00 0.00 173.24 172.67 2crm s SER 3 N -2.92 0.15 0.00 7.02 0.15 -1.26 -5.17 113.70 111.66 2crm s SER 3 Ca 0.11 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 55.84 2crm s SER 3 Cb -0.04 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.64 2crm s SER 3 CO 0.05 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.30 2crm n GLY 4 N -0.14 1.80 3.44 9.45 0.00 -1.26 -5.10 105.19 113.38 2crm n GLY 4 Ca -0.09 -0.29 -0.62 0.00 0.00 0.00 0.00 46.02 45.03 2crm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2crm n SER 5 N 0.00 1.08 -3.97 1.61 3.41 -1.26 -4.90 113.62 109.59 2crm n SER 5 Ca 0.00 0.84 -0.09 0.00 -0.26 0.00 0.00 58.87 59.35 2crm n SER 5 Cb 0.00 -0.93 -0.07 0.00 -0.26 0.00 0.00 64.21 62.94 2crm n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2crm s SER 6 N 5.04 0.07 0.00 4.04 0.15 -1.26 -5.12 113.70 116.62 2crm s SER 6 Ca 1.13 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.89 2crm s SER 6 Cb -1.43 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.29 2crm s SER 6 CO 0.70 -0.87 0.18 0.61 1.20 0.00 0.00 173.24 175.05 2crm n GLY 7 N -0.19 -0.16 3.34 9.45 0.00 -1.26 -4.94 105.19 111.42 2crm n GLY 7 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2crm n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2crm s VAL 8 N -0.84 2.12 -0.62 1.61 -7.23 -1.26 -5.03 120.40 109.14 2crm s VAL 8 Ca 0.00 -1.41 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 2crm s VAL 8 Cb 0.00 -1.82 0.44 0.00 0.56 0.00 0.00 36.38 35.56 2crm s VAL 8 CO 0.00 0.34 2.03 1.33 -0.31 0.00 0.00 175.10 178.49 2crm n VAL 9 N 1.72 3.53 -0.17 1.32 0.24 -1.26 -4.63 118.33 119.08 2crm n VAL 9 Ca -0.17 -2.75 -0.07 0.00 -2.04 0.00 0.00 64.34 59.31 2crm n VAL 9 Cb 0.52 -1.14 0.02 0.00 -1.47 0.00 0.00 33.84 31.77 2crm n VAL 9 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2crm h GLU 10 N 1.89 0.65 0.30 7.34 5.08 -2.01 -3.02 114.58 124.82 2crm h GLU 10 Ca 0.58 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 2crm h GLU 10 Cb 0.93 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2crm h GLU 10 CO 1.49 0.43 -0.33 0.35 -1.00 0.00 0.00 179.01 179.96 2crm h PHE 11 N 0.67 -0.88 -0.96 4.33 3.57 -2.06 -3.32 116.94 118.30 2crm h PHE 11 Ca 0.19 0.01 -0.59 0.00 3.53 0.00 0.00 57.97 61.11 2crm h PHE 11 Cb -0.06 0.35 -0.09 0.00 2.79 0.00 0.00 35.95 38.94 2crm h PHE 11 CO -0.05 -0.46 1.65 0.95 -2.23 0.00 0.00 178.31 178.17 2crm s THR 12 N -6.02 3.93 0.71 4.41 -4.23 -1.14 -4.98 115.64 108.32 2crm s THR 12 Ca -0.16 -1.12 -0.16 0.00 -1.18 0.00 0.00 61.69 59.06 2crm s THR 12 Cb 0.06 -4.99 0.01 0.00 1.34 0.00 0.00 72.50 68.92 2crm s THR 12 CO 0.64 -1.84 1.06 0.35 -0.54 0.00 0.00 174.62 174.29 2crm n THR 13 N 6.86 3.24 -3.64 3.99 -2.24 -1.25 -4.93 114.28 116.31 2crm n THR 13 Ca 0.40 -0.39 -0.10 0.00 -2.27 0.00 0.00 64.05 61.69 2crm n THR 13 Cb 0.49 -1.20 -0.07 0.00 -2.10 0.00 0.00 70.33 67.45 2crm n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2crm n PRO 15 N 3.35 -1.76 -3.35 0.00 -0.04 -1.26 -5.06 135.00 126.88 2crm n PRO 15 Ca -0.16 -0.61 -0.23 0.00 -0.04 0.00 0.00 63.50 62.45 2crm n PRO 15 Cb 0.57 -0.57 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 2crm n PRO 15 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2crm s ASP 16 N -2.54 6.18 0.41 3.54 1.11 -1.26 -5.05 116.67 119.07 2crm s ASP 16 Ca 0.25 0.35 -0.26 0.00 0.18 0.00 0.00 52.55 53.07 2crm s ASP 16 Cb -0.02 -1.87 -0.09 0.00 1.07 0.00 0.00 42.92 42.00 2crm s ASP 16 CO 0.19 -0.37 1.41 -0.54 1.18 0.00 0.00 175.17 177.04 2crm s LYS 17 N -4.33 3.90 0.00 8.23 1.02 -1.26 -4.11 119.74 123.19 2crm s LYS 17 Ca 0.41 2.40 0.12 0.00 0.02 0.00 0.00 55.97 58.92 2crm s LYS 17 Cb -0.10 -2.79 0.69 0.00 -0.52 0.00 0.00 37.83 35.11 2crm s LYS 17 CO 0.36 -0.63 1.12 -0.35 -0.92 0.00 0.00 175.35 174.92 2crm n PRO 18 N 0.12 0.49 0.00 -1.68 -0.04 -1.26 -4.18 135.00 128.44 2crm n PRO 18 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2crm n PRO 18 Cb 0.41 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2crm n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2crm n GLY 19 N -0.02 -1.80 3.77 0.55 0.00 -1.26 -4.48 105.19 101.94 2crm n GLY 19 Ca 0.09 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.35 2crm n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2crm s ILE 20 N -3.20 4.49 0.61 -0.61 1.09 -1.26 -4.73 121.20 117.59 2crm s ILE 20 Ca 0.00 1.69 -0.17 0.00 -1.10 0.00 0.00 60.65 61.07 2crm s ILE 20 Cb 0.00 -4.14 -0.02 0.00 -1.06 0.00 0.00 42.46 37.24 2crm s ILE 20 CO 0.00 0.47 1.12 -2.16 -0.10 0.00 0.00 174.94 174.27 2crm s PRO 21 N -0.78 3.02 0.15 2.79 0.04 -1.26 -4.62 135.00 134.34 2crm s PRO 21 Ca 0.37 1.48 -0.31 0.00 0.04 0.00 0.00 61.00 62.58 2crm s PRO 21 Cb -0.22 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 2crm s PRO 21 CO 0.25 -1.09 1.37 0.08 0.04 0.00 0.00 177.00 177.65 2crm s VAL 22 N -2.12 3.22 -0.07 -0.36 1.01 -0.92 -4.75 120.40 116.40 2crm s VAL 22 Ca 0.69 0.92 -0.38 0.00 0.00 0.00 0.00 61.98 63.21 2crm s VAL 22 Cb -0.22 -3.59 -0.18 0.00 0.00 0.00 0.00 36.38 32.39 2crm s VAL 22 CO 0.36 0.10 1.06 1.17 0.00 0.00 0.00 175.10 177.79 2crm n LYS 23 N 3.42 0.00 -2.13 2.72 0.00 -1.26 -4.11 118.16 116.80 2crm n LYS 23 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 57.98 2crm n LYS 23 Cb 0.42 -1.38 -0.03 0.00 0.00 0.00 0.00 35.03 34.04 2crm n LYS 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2crm s PRO 24 N 0.41 4.03 0.40 1.64 0.04 -1.26 -4.73 135.00 135.54 2crm s PRO 24 Ca 0.86 1.87 0.08 0.00 0.04 0.00 0.00 61.00 63.84 2crm s PRO 24 Cb -1.20 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 29.34 2crm s PRO 24 CO 0.56 -1.00 0.29 -1.54 0.04 0.00 0.00 177.00 175.35 2crm s SER 25 N 3.43 4.83 -0.24 6.66 1.04 -1.09 -4.76 113.70 123.56 2crm s SER 25 Ca 0.69 -0.84 -0.18 0.00 0.48 0.00 0.00 55.95 56.10 2crm s SER 25 Cb -0.28 -0.58 -0.03 0.00 0.10 0.00 0.00 66.02 65.24 2crm s SER 25 CO 0.26 -0.57 0.50 -0.69 0.98 0.00 0.00 173.24 173.72 2crm s VAL 26 N -2.50 5.09 -0.42 5.02 1.01 -1.26 -1.42 120.40 125.92 2crm s VAL 26 Ca 0.45 0.87 -0.16 0.00 0.00 0.00 0.00 61.98 63.13 2crm s VAL 26 Cb -0.01 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.57 2crm s VAL 26 CO 0.26 0.12 0.38 -0.75 0.00 0.00 0.00 175.10 175.11 2crm s LYS 27 N 2.08 3.06 0.00 2.72 2.20 -1.07 -4.94 119.74 123.80 2crm s LYS 27 Ca 0.21 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 2crm s LYS 27 Cb -0.16 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.20 2crm s LYS 27 CO 0.09 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 2crm n GLY 28 N 5.13 -0.20 3.85 5.54 0.00 -1.26 -4.73 105.19 113.51 2crm n GLY 28 Ca -0.09 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.61 2crm n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2crm s LYS 29 N 0.00 3.84 -0.31 1.61 2.47 -1.26 -5.06 119.74 121.02 2crm s LYS 29 Ca 0.00 0.31 -0.18 0.00 -1.56 0.00 0.00 55.97 54.54 2crm s LYS 29 Cb 0.00 -3.17 -0.02 0.00 -1.46 0.00 0.00 37.83 33.18 2crm s LYS 29 CO 0.00 0.67 0.50 0.42 0.16 0.00 0.00 175.35 177.11 2crm s ILE 30 N -1.14 5.05 0.99 5.43 1.01 -1.26 -4.86 121.20 126.41 2crm s ILE 30 Ca 0.25 0.59 -0.16 0.00 0.00 0.00 0.00 60.65 61.32 2crm s ILE 30 Cb -0.16 -3.89 0.21 0.00 0.01 0.00 0.00 42.46 38.64 2crm s ILE 30 CO 0.13 -0.06 1.31 -1.00 0.00 0.00 0.00 174.94 175.32 2crm s HIS 31 N 2.34 1.46 0.04 3.97 3.76 -0.89 -4.85 115.29 121.12 2crm s HIS 31 Ca 0.20 0.32 -0.11 0.00 -0.15 0.00 0.00 55.06 55.31 2crm s HIS 31 Cb -0.15 -4.09 -0.04 0.00 1.11 0.00 0.00 32.58 29.41 2crm s HIS 31 CO 0.11 -2.78 1.18 0.77 -0.85 0.00 0.00 174.74 173.18 2crm h SER 32 N -1.74 -0.60 -1.61 1.40 0.02 -1.98 -3.33 113.55 105.72 2crm h SER 32 Ca -0.44 0.08 -0.48 0.00 -0.84 0.00 0.00 61.79 60.11 2crm h SER 32 Cb 1.24 0.24 -0.41 0.00 0.14 0.00 0.00 62.40 63.61 2crm h SER 32 CO 0.37 -0.14 -1.02 0.00 -1.14 0.00 0.00 176.83 174.89 2crm n HIS 33 N -3.56 1.74 -3.40 3.45 1.44 -1.26 -4.22 115.22 109.41 2crm n HIS 33 Ca -0.01 -3.36 0.02 0.00 -2.01 0.00 0.00 57.72 52.35 2crm n HIS 33 Cb 0.12 -0.35 -0.04 0.00 0.12 0.00 0.00 29.99 29.83 2crm n HIS 33 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 2crm s SER 34 N -3.05 -0.62 -0.13 4.39 1.04 -1.25 -2.87 113.70 111.21 2crm s SER 34 Ca 0.38 0.82 -0.22 0.00 0.48 0.00 0.00 55.95 57.41 2crm s SER 34 Cb 0.39 1.69 0.05 0.00 0.10 0.00 0.00 66.02 68.25 2crm s SER 34 CO -0.07 -0.12 0.55 0.72 0.98 0.00 0.00 173.24 175.30 2crm s PHE 35 N 2.51 -0.55 -0.04 5.02 -0.12 -1.22 -2.10 117.98 121.48 2crm s PHE 35 Ca -0.02 1.19 -0.14 0.00 -0.05 0.00 0.00 56.93 57.91 2crm s PHE 35 Cb -0.07 0.25 -0.05 0.00 -0.63 0.00 0.00 43.02 42.52 2crm s PHE 35 CO -0.17 -0.40 0.36 0.15 -0.05 0.00 0.00 175.22 175.11 2crm s LYS 36 N -0.40 3.90 -0.13 1.99 1.02 -1.26 -1.00 119.74 123.86 2crm s LYS 36 Ca -0.05 0.30 0.02 0.00 0.02 0.00 0.00 55.97 56.26 2crm s LYS 36 Cb -0.03 -3.25 0.01 0.00 -0.52 0.00 0.00 37.83 34.04 2crm s LYS 36 CO 0.04 0.63 -0.18 0.96 -0.92 0.00 0.00 175.35 175.88 2crm s ILE 37 N -0.82 1.78 -0.10 2.17 -4.36 -0.57 -2.59 121.20 116.72 2crm s ILE 37 Ca 0.22 -0.81 0.03 0.00 -0.26 0.00 0.00 60.65 59.83 2crm s ILE 37 Cb -0.16 -1.60 -0.01 0.00 1.25 0.00 0.00 42.46 41.94 2crm s ILE 37 CO 0.11 0.50 -0.19 0.28 0.24 0.00 0.00 174.94 175.87 2crm s THR 38 N 0.95 2.53 -0.24 8.37 -1.32 -0.51 -2.91 115.64 122.52 2crm s THR 38 Ca -0.06 -0.87 -0.02 0.00 -1.21 0.00 0.00 61.69 59.54 2crm s THR 38 Cb -0.15 -2.00 0.02 0.00 -1.51 0.00 0.00 72.50 68.86 2crm s THR 38 CO -0.03 0.55 -0.06 -1.66 -2.21 0.00 0.00 174.62 171.21 2crm s TRP 39 N 0.13 3.04 0.46 9.09 -2.14 -1.16 -2.67 118.94 125.69 2crm s TRP 39 Ca -0.10 -1.50 -0.25 0.00 2.66 0.00 0.00 56.10 56.91 2crm s TRP 39 Cb -0.16 -2.06 -0.08 0.00 -3.10 0.00 0.00 33.47 28.08 2crm s TRP 39 CO 0.06 -0.72 1.40 0.34 -2.66 0.00 0.00 176.95 175.37 2crm s ASP 40 N 1.34 5.82 0.59 -2.66 2.15 -1.26 -4.80 116.67 117.85 2crm s ASP 40 Ca 0.01 2.87 -0.18 0.00 0.43 0.00 0.00 52.55 55.68 2crm s ASP 40 Cb -0.16 -2.65 -0.03 0.00 -0.30 0.00 0.00 42.92 39.77 2crm s ASP 40 CO -0.05 -1.21 1.12 -2.16 -0.17 0.00 0.00 175.17 172.71 2crm s PRO 41 N -2.51 3.12 -0.82 4.34 0.04 -1.26 -2.18 135.00 135.74 2crm s PRO 41 Ca 0.62 1.51 -0.25 0.00 0.04 0.00 0.00 61.00 62.93 2crm s PRO 41 Cb -0.43 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 2crm s PRO 41 CO 0.54 -1.02 1.92 -1.25 0.04 0.00 0.00 177.00 177.23 2crm s PRO 42 N -3.64 2.58 0.22 0.56 0.04 -1.26 -4.77 135.00 128.73 2crm s PRO 42 Ca 0.70 -0.03 -0.18 0.00 0.04 0.00 0.00 61.00 61.53 2crm s PRO 42 Cb -0.22 -4.87 0.21 0.00 0.04 0.00 0.00 34.50 29.66 2crm s PRO 42 CO 0.33 -3.19 1.56 0.87 0.04 0.00 0.00 177.00 176.61 2crm h LYS 43 N 12.37 -0.04 -6.00 4.56 1.57 -1.93 -3.14 116.57 123.95 2crm h LYS 43 Ca -0.01 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.19 2crm h LYS 43 Cb 1.05 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.28 2crm h LYS 43 CO 1.21 -0.03 1.57 -0.51 -0.57 0.00 0.00 179.45 181.13 2crm s ASP 44 N -5.31 6.41 -0.27 0.86 1.01 -1.26 -4.96 116.67 113.14 2crm s ASP 44 Ca -0.14 -1.61 -0.11 0.00 0.71 0.00 0.00 52.55 51.41 2crm s ASP 44 Cb 0.19 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 2crm s ASP 44 CO 0.71 -1.60 0.18 0.54 0.21 0.00 0.00 175.17 175.21 2crm s ASN 45 N 5.14 5.96 1.02 0.27 2.20 -1.19 -4.67 114.94 123.67 2crm s ASN 45 Ca 0.51 -0.01 -0.03 0.00 -0.94 0.00 0.00 52.86 52.38 2crm s ASN 45 Cb 0.00 -2.10 0.05 0.00 -2.00 0.00 0.00 41.25 37.20 2crm s ASN 45 CO -0.04 -0.03 0.23 0.61 -2.94 0.00 0.00 177.10 174.92 2crm n GLY 46 N 4.94 -1.76 0.26 0.45 0.00 -1.26 -4.84 105.19 102.99 2crm n GLY 46 Ca -0.14 -1.58 0.26 0.00 0.00 0.00 0.00 46.02 44.55 2crm n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crm n GLY 47 N 2.39 -0.62 3.68 -0.02 0.00 -1.26 -4.09 105.19 105.27 2crm n GLY 47 Ca 0.03 0.66 -0.43 0.00 0.00 0.00 0.00 46.02 46.29 2crm n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crm s ALA 48 N -5.25 3.50 -0.15 4.61 0.00 -1.26 -5.02 121.76 118.18 2crm s ALA 48 Ca -0.07 0.41 -0.14 0.00 0.00 0.00 0.00 51.96 52.16 2crm s ALA 48 Cb 0.28 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2crm s ALA 48 CO 0.64 -0.77 0.32 0.99 0.00 0.00 0.00 175.76 176.93 2crm s THR 49 N 2.39 5.29 0.29 0.00 2.01 -1.26 -4.48 115.64 119.88 2crm s THR 49 Ca 0.50 0.60 -0.26 0.00 0.31 0.00 0.00 61.69 62.84 2crm s THR 49 Cb -0.20 -3.65 -0.16 0.00 0.01 0.00 0.00 72.50 68.50 2crm s THR 49 CO 0.17 0.39 0.52 -0.38 -0.69 0.00 0.00 174.62 174.62 2crm n ILE 50 N 3.53 1.70 -0.01 1.82 2.08 -1.26 -4.59 119.36 122.62 2crm n ILE 50 Ca -0.11 -0.50 -0.03 0.00 0.56 0.00 0.00 62.75 62.67 2crm n ILE 50 Cb 0.52 -0.25 -0.01 0.00 -0.75 0.00 0.00 39.64 39.15 2crm n ILE 50 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 2crm n ASN 51 N 1.82 0.20 -3.80 4.38 2.85 0.21 -4.96 115.26 115.96 2crm n ASN 51 Ca 0.14 0.03 -0.10 0.00 -0.11 0.00 0.00 54.58 54.55 2crm n ASN 51 Cb 0.31 -0.08 -0.05 0.00 1.24 0.00 0.00 39.78 41.21 2crm n ASN 51 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2crm s LYS 52 N -2.05 1.29 -0.15 1.20 2.20 -1.19 -4.88 119.74 116.15 2crm s LYS 52 Ca -0.04 -0.94 0.01 0.00 -0.36 0.00 0.00 55.97 54.64 2crm s LYS 52 Cb 0.01 0.47 0.02 0.00 -1.51 0.00 0.00 37.83 36.83 2crm s LYS 52 CO 0.05 -0.52 -0.16 0.71 -0.36 0.00 0.00 175.35 175.07 2crm s TYR 53 N -3.89 2.28 -0.06 4.03 1.51 -0.51 -0.93 117.35 119.77 2crm s TYR 53 Ca 0.11 -1.26 0.00 0.00 -1.01 0.00 0.00 57.07 54.91 2crm s TYR 53 Cb 0.01 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.18 2crm s TYR 53 CO -0.03 -0.66 -0.03 0.08 -1.11 0.00 0.00 175.55 173.80 2crm s VAL 54 N 1.34 3.98 -0.03 0.71 1.01 -0.29 -2.46 120.40 124.66 2crm s VAL 54 Ca 0.03 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.60 2crm s VAL 54 Cb -0.13 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.54 2crm s VAL 54 CO -0.09 0.55 -0.13 -0.69 0.00 0.00 0.00 175.10 174.74 2crm s VAL 55 N -0.89 3.20 -0.18 2.92 1.01 -1.07 -1.28 120.40 124.11 2crm s VAL 55 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2crm s VAL 55 Cb -0.11 -2.29 0.04 0.00 0.00 0.00 0.00 36.38 34.02 2crm s VAL 55 CO 0.03 0.53 -0.07 -1.61 0.00 0.00 0.00 175.10 173.98 2crm s GLU 56 N -0.93 1.69 0.01 2.72 8.01 0.17 -2.87 118.70 127.50 2crm s GLU 56 Ca 0.13 -0.66 -0.00 0.00 0.01 0.00 0.00 54.97 54.45 2crm s GLU 56 Cb -0.11 -2.19 -0.04 0.00 -4.31 0.00 0.00 34.13 27.49 2crm s GLU 56 CO 0.02 -0.43 0.10 1.41 0.01 0.00 0.00 175.26 176.37 2crm s MET 57 N 1.53 3.12 0.12 1.61 1.75 -1.11 -0.16 119.30 126.15 2crm s MET 57 Ca -0.00 -0.48 0.04 0.00 -1.25 0.00 0.00 55.69 54.00 2crm s MET 57 Cb -0.16 -2.89 -0.04 0.00 2.84 0.00 0.00 34.83 34.58 2crm s MET 57 CO -0.08 0.64 -0.09 0.00 -0.65 0.00 0.00 175.02 174.84 2crm s ALA 58 N -1.24 1.23 -0.53 4.11 0.00 0.14 -3.42 121.76 122.05 2crm s ALA 58 Ca 0.25 -1.36 -0.27 0.00 0.00 0.00 0.00 51.96 50.57 2crm s ALA 58 Cb -0.12 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2crm s ALA 58 CO 0.16 -0.11 1.84 -1.21 0.00 0.00 0.00 175.76 176.43 2crm s GLU 59 N -3.46 2.85 0.05 0.00 2.02 -1.26 -2.92 118.70 115.97 2crm s GLU 59 Ca 0.12 0.86 0.00 0.00 0.02 0.00 0.00 54.97 55.97 2crm s GLU 59 Cb 0.01 -4.32 0.00 0.00 0.10 0.00 0.00 34.13 29.92 2crm s GLU 59 CO -0.01 -2.46 0.00 0.41 0.02 0.00 0.00 175.26 173.22 2crm n GLY 60 N 5.60 0.38 0.28 -1.39 0.00 -1.16 -3.36 105.19 105.55 2crm n GLY 60 Ca 0.21 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 2crm n GLY 60 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2crm h SER 61 N 0.00 -0.77 -0.33 1.61 4.64 -1.89 -3.30 113.55 113.51 2crm h SER 61 Ca 0.00 0.12 -0.28 0.00 -0.47 0.00 0.00 61.79 61.15 2crm h SER 61 Cb 0.00 0.33 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 2crm h SER 61 CO 0.00 -0.30 0.92 -3.20 -0.87 0.00 0.00 176.83 173.37 2crm n ASN 62 N -5.37 2.60 -4.77 4.97 2.85 -1.21 -4.92 115.26 109.40 2crm n ASN 62 Ca -0.03 -2.65 -0.37 0.00 -0.11 0.00 0.00 54.58 51.42 2crm n ASN 62 Cb 0.29 -1.67 -0.01 0.00 1.24 0.00 0.00 39.78 39.63 2crm n ASN 62 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 2crm s GLY 63 N 6.86 2.79 0.06 8.20 0.00 -1.23 -4.54 107.32 119.45 2crm s GLY 63 Ca 0.71 0.96 -0.02 0.00 0.00 0.00 0.00 44.72 46.37 2crm s GLY 63 CO 0.15 1.43 -0.05 1.16 0.00 0.00 0.00 173.10 175.80 2crm n ASN 64 N -0.46 1.17 -3.67 1.64 0.23 -1.26 -4.97 115.26 107.93 2crm n ASN 64 Ca 0.07 0.16 -0.15 0.00 -0.53 0.00 0.00 54.58 54.13 2crm n ASN 64 Cb 0.48 -0.38 -0.15 0.00 -2.08 0.00 0.00 39.78 37.65 2crm n ASN 64 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2crm s LYS 65 N -2.12 0.08 -0.12 -3.83 -0.14 -1.26 -5.11 119.74 107.24 2crm s LYS 65 Ca -0.04 0.61 -0.30 0.00 -1.36 0.00 0.00 55.97 54.88 2crm s LYS 65 Cb 0.01 -0.19 -0.02 0.00 -1.68 0.00 0.00 37.83 35.95 2crm s LYS 65 CO 0.06 -0.29 1.19 -1.58 -0.76 0.00 0.00 175.35 173.97 2crm s TRP 66 N 2.22 3.09 0.08 3.18 0.52 -1.26 -4.78 118.94 122.00 2crm s TRP 66 Ca 0.01 1.19 0.09 0.00 0.02 0.00 0.00 56.10 57.41 2crm s TRP 66 Cb -0.12 -3.42 -0.03 0.00 -1.15 0.00 0.00 33.47 28.75 2crm s TRP 66 CO -0.07 -1.30 -0.24 -1.83 0.02 0.00 0.00 176.95 173.53 2crm s GLU 67 N 2.81 1.44 -0.05 4.98 -1.05 -1.22 -4.95 118.70 120.66 2crm s GLU 67 Ca 0.54 -1.15 -0.30 0.00 -0.15 0.00 0.00 54.97 53.90 2crm s GLU 67 Cb -0.22 -1.72 -0.03 0.00 -0.44 0.00 0.00 34.13 31.73 2crm s GLU 67 CO 0.17 0.42 1.08 1.41 0.95 0.00 0.00 175.26 179.30 2crm s MET 68 N -1.61 4.43 -0.23 -4.83 -2.45 -1.26 -2.76 119.30 110.59 2crm s MET 68 Ca 0.10 1.53 0.01 0.00 -1.25 0.00 0.00 55.69 56.08 2crm s MET 68 Cb -0.10 -3.51 -0.15 0.00 1.25 0.00 0.00 34.83 32.33 2crm s MET 68 CO 0.04 -0.30 -0.21 0.44 1.05 0.00 0.00 175.02 176.04 2crm n ILE 69 N 4.36 1.31 -3.82 10.11 -5.35 -1.14 -5.02 119.36 119.81 2crm n ILE 69 Ca 0.09 -0.49 -0.10 0.00 -0.27 0.00 0.00 62.75 61.98 2crm n ILE 69 Cb 0.48 -1.34 -0.08 0.00 -1.74 0.00 0.00 39.64 36.97 2crm n ILE 69 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2crm s TYR 70 N -2.46 0.04 -0.23 4.28 6.14 -1.26 -5.06 117.35 118.80 2crm s TYR 70 Ca -0.31 -0.33 -0.19 0.00 0.64 0.00 0.00 57.07 56.89 2crm s TYR 70 Cb 0.08 0.00 0.06 0.00 0.42 0.00 0.00 41.96 42.53 2crm s TYR 70 CO 0.52 -0.50 0.61 -1.54 0.64 0.00 0.00 175.55 175.28 2crm s SER 71 N -2.39 -0.69 0.00 4.32 1.04 -1.26 -2.59 113.70 112.13 2crm s SER 71 Ca -0.01 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.67 2crm s SER 71 Cb 0.01 1.23 0.00 0.00 0.10 0.00 0.00 66.02 67.36 2crm s SER 71 CO -0.07 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2crm n GLY 72 N 3.23 -0.52 0.03 7.32 0.00 -1.03 -4.96 105.19 109.26 2crm n GLY 72 Ca -0.16 -0.83 0.01 0.00 0.00 0.00 0.00 46.02 45.05 2crm n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crm n ALA 73 N 0.00 2.16 0.04 4.61 0.00 -1.26 -1.43 120.51 124.63 2crm n ALA 73 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 53.44 52.94 2crm n ALA 73 Cb 0.00 -0.27 0.13 0.00 0.00 0.00 0.00 19.45 19.31 2crm n ALA 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2crm n THR 74 N -2.17 1.44 -3.69 0.00 -1.04 -1.26 -4.80 114.28 102.76 2crm n THR 74 Ca -0.10 0.56 -0.21 0.00 -2.04 0.00 0.00 64.05 62.27 2crm n THR 74 Cb 0.58 -1.56 -0.02 0.00 -1.82 0.00 0.00 70.33 67.51 2crm n THR 74 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2crm n ARG 75 N -1.61 -0.78 -3.15 -2.82 1.85 -1.26 -4.84 116.66 104.04 2crm n ARG 75 Ca -0.00 -0.09 0.05 0.00 -1.00 0.00 0.00 57.85 56.81 2crm n ARG 75 Cb 0.10 -1.37 -0.01 0.00 -1.05 0.00 0.00 32.46 30.13 2crm n ARG 75 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2crm s GLU 76 N -5.83 0.14 0.16 2.89 2.12 -1.26 -2.99 118.70 113.94 2crm s GLU 76 Ca 0.13 0.24 0.07 0.00 0.36 0.00 0.00 54.97 55.77 2crm s GLU 76 Cb -0.07 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.41 2crm s GLU 76 CO 0.52 -0.17 -0.16 -1.58 -0.54 0.00 0.00 175.26 173.34 2crm s HIS 77 N 2.96 1.64 -0.41 5.30 2.46 -1.14 -4.94 115.29 121.16 2crm s HIS 77 Ca 0.01 -0.54 -0.14 0.00 0.47 0.00 0.00 55.06 54.86 2crm s HIS 77 Cb -0.09 -0.81 0.03 0.00 -0.13 0.00 0.00 32.58 31.58 2crm s HIS 77 CO -0.12 0.27 0.28 -1.17 -2.47 0.00 0.00 174.74 171.54 2crm s LEU 78 N -2.82 5.05 -0.96 8.88 2.96 -1.26 -1.52 118.68 129.01 2crm s LEU 78 Ca 0.16 -0.99 -0.24 0.00 -0.22 0.00 0.00 54.13 52.84 2crm s LEU 78 Cb -0.04 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 2crm s LEU 78 CO 0.05 -0.45 1.80 0.00 -1.32 0.00 0.00 176.35 176.43 2crm s ASP 80 N 6.99 5.34 -1.16 0.00 2.15 -1.26 -3.37 116.67 125.35 2crm s ASP 80 Ca 0.63 0.19 -0.04 0.00 0.43 0.00 0.00 52.55 53.76 2crm s ASP 80 Cb -0.04 -1.12 0.00 0.00 -0.30 0.00 0.00 42.92 41.46 2crm s ASP 80 CO -0.03 -1.12 0.99 0.54 -0.17 0.00 0.00 175.17 175.39 2crm n ARG 81 N -2.40 -6.63 -2.89 4.34 1.74 -1.20 -4.99 116.66 104.62 2crm n ARG 81 Ca 0.06 0.77 -0.18 0.00 -0.77 0.00 0.00 57.85 57.73 2crm n ARG 81 Cb 0.59 -5.59 0.02 0.00 -1.02 0.00 0.00 32.46 26.46 2crm n ARG 81 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2crm s LEU 82 N -6.34 3.54 -0.33 0.55 1.43 -1.14 -5.08 118.68 111.31 2crm s LEU 82 Ca 0.25 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 2crm s LEU 82 Cb -0.11 -2.72 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 2crm s LEU 82 CO 0.67 -0.88 0.20 0.20 0.23 0.00 0.00 176.35 176.77 2crm s ASN 83 N -4.37 5.82 0.24 2.29 -0.87 -1.26 -4.66 114.94 112.13 2crm s ASN 83 Ca 0.56 -0.48 -0.30 0.00 -1.57 0.00 0.00 52.86 51.07 2crm s ASN 83 Cb -0.10 -2.07 -0.09 0.00 -0.02 0.00 0.00 41.25 38.96 2crm s ASN 83 CO 0.35 -0.22 1.27 -2.16 -2.57 0.00 0.00 177.10 173.77 2crm s PRO 84 N 1.67 4.42 -0.32 -0.60 0.04 -1.26 -3.44 135.00 135.51 2crm s PRO 84 Ca 0.05 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 2crm s PRO 84 Cb -0.17 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2crm s PRO 84 CO 0.08 -0.16 0.19 0.41 0.04 0.00 0.00 177.00 177.56 2crm n GLY 85 N 1.81 0.51 3.48 0.56 0.00 0.62 -4.54 105.19 107.63 2crm n GLY 85 Ca 0.04 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 2crm n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crm s PHE 87 N -4.00 2.97 -0.29 0.00 0.08 -1.26 -3.18 117.98 112.30 2crm s PHE 87 Ca 0.27 0.20 -0.15 0.00 0.12 0.00 0.00 56.93 57.37 2crm s PHE 87 Cb 0.01 -2.79 0.12 0.00 -0.57 0.00 0.00 43.02 39.79 2crm s PHE 87 CO 0.10 -0.92 0.82 0.71 -0.10 0.00 0.00 175.22 175.84 2crm s TYR 88 N -2.87 -0.88 -0.15 0.36 2.02 -1.25 -2.97 117.35 111.62 2crm s TYR 88 Ca 0.56 1.70 -0.05 0.00 -0.37 0.00 0.00 57.07 58.91 2crm s TYR 88 Cb -0.10 0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 41.94 2crm s TYR 88 CO 0.40 -0.43 0.03 1.03 -1.57 0.00 0.00 175.55 175.01 2crm s ARG 89 N 1.71 3.62 0.01 -0.62 0.52 -1.15 -3.35 118.95 119.69 2crm s ARG 89 Ca -0.09 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 54.76 2crm s ARG 89 Cb -0.05 -3.04 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 2crm s ARG 89 CO -0.18 0.41 -0.07 -0.51 0.02 0.00 0.00 175.30 174.97 2crm s LEU 90 N -0.06 2.09 -0.03 2.53 1.02 -1.23 0.26 118.68 123.27 2crm s LEU 90 Ca 0.05 -0.26 -0.00 0.00 0.02 0.00 0.00 54.13 53.93 2crm s LEU 90 Cb -0.12 -0.30 0.03 0.00 0.02 0.00 0.00 46.19 45.81 2crm s LEU 90 CO 0.02 -0.00 0.03 -0.13 0.02 0.00 0.00 176.35 176.28 2crm s ARG 91 N -0.62 0.04 -0.09 1.70 0.52 0.77 -0.86 118.95 120.41 2crm s ARG 91 Ca -0.01 0.19 0.03 0.00 -0.52 0.00 0.00 55.73 55.42 2crm s ARG 91 Cb -0.05 -0.35 -0.02 0.00 0.52 0.00 0.00 34.95 35.05 2crm s ARG 91 CO 0.00 -0.19 -0.17 0.08 0.02 0.00 0.00 175.30 175.04 2crm s VAL 92 N 1.25 2.78 0.07 3.52 1.01 -1.26 0.45 120.40 128.23 2crm s VAL 92 Ca -0.07 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.15 2crm s VAL 92 Cb -0.13 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 2crm s VAL 92 CO -0.03 0.56 -0.10 -0.72 0.00 0.00 0.00 175.10 174.82 2crm s TYR 93 N -0.13 0.91 0.17 5.22 -0.85 -0.40 -2.42 117.35 119.85 2crm s TYR 93 Ca -0.02 -0.58 0.04 0.00 -0.52 0.00 0.00 57.07 55.98 2crm s TYR 93 Cb -0.14 -0.52 -0.03 0.00 0.38 0.00 0.00 41.96 41.65 2crm s TYR 93 CO 0.04 -0.04 0.26 0.00 -1.52 0.00 0.00 175.55 174.28 2crm s ILE 95 N -1.81 2.14 -0.02 0.00 1.01 -0.11 -1.61 121.20 120.80 2crm s ILE 95 Ca 0.33 -1.02 -0.17 0.00 0.00 0.00 0.00 60.65 59.80 2crm s ILE 95 Cb -0.10 -1.80 0.03 0.00 0.01 0.00 0.00 42.46 40.60 2crm s ILE 95 CO 0.27 0.56 0.36 -0.55 0.00 0.00 0.00 174.94 175.59 2crm s SER 96 N 0.03 -0.26 -1.51 3.58 0.15 0.15 0.64 113.70 116.48 2crm s SER 96 Ca -0.09 0.19 -0.06 0.00 0.70 0.00 0.00 55.95 56.69 2crm s SER 96 Cb -0.15 0.36 0.05 0.00 -1.71 0.00 0.00 66.02 64.56 2crm s SER 96 CO 0.06 -0.46 0.52 0.47 1.20 0.00 0.00 173.24 175.03 2crm n ASP 97 N 1.27 -1.26 0.00 5.45 9.92 -1.26 -1.15 116.55 129.51 2crm n ASP 97 Ca -0.21 -1.02 0.00 0.00 -0.53 0.00 0.00 54.79 53.03 2crm n ASP 97 Cb 0.56 -2.91 0.00 0.00 -0.64 0.00 0.00 41.12 38.13 2crm n ASP 97 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2crm n GLY 98 N -1.84 1.15 0.00 0.44 0.00 -1.26 -4.90 105.19 98.78 2crm n GLY 98 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2crm n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2crm n GLY 99 N 0.00 -0.18 3.17 -0.02 0.00 -0.30 -5.07 105.19 102.78 2crm n GLY 99 Ca 0.00 -1.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.12 2crm n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2crm s GLN 100 N -2.08 0.98 0.29 1.61 0.00 -1.26 0.34 119.66 119.54 2crm s GLN 100 Ca 0.00 -1.45 -0.01 0.00 -0.00 0.00 0.00 55.36 53.89 2crm s GLN 100 Cb 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 33.01 33.22 2crm s GLN 100 CO 0.00 -0.29 0.50 -1.54 0.00 0.00 0.00 175.29 173.96 2crm s SER 101 N -3.06 6.37 0.22 12.60 1.04 -0.63 -4.91 113.70 125.32 2crm s SER 101 Ca 0.26 0.51 -0.29 0.00 0.48 0.00 0.00 55.95 56.91 2crm s SER 101 Cb 0.07 -2.06 -0.16 0.00 0.10 0.00 0.00 66.02 63.98 2crm s SER 101 CO 0.03 -0.19 0.81 0.00 0.98 0.00 0.00 173.24 174.88 2crm n ALA 102 N -1.19 -1.61 -0.77 5.32 0.00 -1.26 -4.53 120.51 116.47 2crm n ALA 102 Ca -0.04 0.43 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 2crm n ALA 102 Cb 0.55 -1.83 0.13 0.00 0.00 0.00 0.00 19.45 18.30 2crm n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2crm n VAL 103 N 0.31 0.00 -3.68 0.00 0.24 -1.26 -4.70 118.33 109.25 2crm n VAL 103 Ca 0.14 -0.20 -0.29 0.00 -2.04 0.00 0.00 64.34 61.95 2crm n VAL 103 Cb 0.27 -0.64 -0.04 0.00 -1.47 0.00 0.00 33.84 31.97 2crm n VAL 103 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2crm s SER 104 N -2.02 6.43 0.93 -1.34 1.04 -1.02 -4.95 113.70 112.76 2crm s SER 104 Ca 0.57 0.48 -0.17 0.00 0.48 0.00 0.00 55.95 57.31 2crm s SER 104 Cb -0.20 -2.04 -0.15 0.00 0.10 0.00 0.00 66.02 63.73 2crm s SER 104 CO 0.67 -0.00 -0.69 -0.62 0.98 0.00 0.00 173.24 173.58 2crm n GLU 105 N -0.34 -0.00 -2.66 4.02 1.02 -1.26 -4.41 120.64 117.00 2crm n GLU 105 Ca -0.04 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.69 2crm n GLU 105 Cb 0.53 -1.02 -0.03 0.00 -0.02 0.00 0.00 31.44 30.89 2crm n GLU 105 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2crm s SER 106 N -1.02 7.36 -0.61 1.62 1.04 -1.26 -4.61 113.70 116.21 2crm s SER 106 Ca 0.43 1.78 -0.20 0.00 0.48 0.00 0.00 55.95 58.44 2crm s SER 106 Cb -0.23 -2.58 0.10 0.00 0.10 0.00 0.00 66.02 63.41 2crm s SER 106 CO 0.80 -0.23 0.77 -0.22 0.98 0.00 0.00 173.24 175.34 2crm s LEU 107 N 0.61 5.18 -0.43 2.42 2.96 -0.04 -4.87 118.68 124.51 2crm s LEU 107 Ca 0.51 -1.35 -0.27 0.00 -0.22 0.00 0.00 54.13 52.80 2crm s LEU 107 Cb -0.24 -2.33 0.02 0.00 0.50 0.00 0.00 46.19 44.15 2crm s LEU 107 CO 0.29 -1.18 1.01 -0.22 -1.32 0.00 0.00 176.35 174.93 2crm s LEU 108 N 2.97 3.87 -0.16 -0.68 2.96 -1.26 -3.47 118.68 122.92 2crm s LEU 108 Ca 0.14 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.50 2crm s LEU 108 Cb -0.22 -3.37 0.03 0.00 0.50 0.00 0.00 46.19 43.13 2crm s LEU 108 CO 0.07 -1.06 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.25 2crm s VAL 109 N 3.92 1.39 -0.22 1.68 1.01 -1.21 -5.03 120.40 121.93 2crm s VAL 109 Ca 0.42 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.60 2crm s VAL 109 Cb -0.10 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2crm s VAL 109 CO 0.25 0.31 0.35 0.00 0.00 0.00 0.00 175.10 176.01 2crm s GLN 110 N 1.54 4.12 0.13 2.72 -2.07 -1.26 -3.81 119.66 121.03 2crm s GLN 110 Ca 0.03 0.08 -0.16 0.00 -1.82 0.00 0.00 55.36 53.48 2crm s GLN 110 Cb -0.14 -3.56 -0.07 0.00 -1.09 0.00 0.00 33.01 28.15 2crm s GLN 110 CO -0.09 -0.07 0.57 0.95 -1.32 0.00 0.00 175.29 175.32 2crm s THR 111 N 1.43 4.80 -0.34 3.63 -4.23 -1.19 -4.97 115.64 114.77 2crm s THR 111 Ca 0.16 0.99 -0.29 0.00 -1.18 0.00 0.00 61.69 61.38 2crm s THR 111 Cb -0.15 -3.80 -0.01 0.00 1.34 0.00 0.00 72.50 69.88 2crm s THR 111 CO 0.08 0.35 1.69 -2.16 -0.54 0.00 0.00 174.62 174.04 2crm s PRO 112 N -1.67 3.43 0.18 3.99 0.04 -1.26 -0.28 135.00 139.43 2crm s PRO 112 Ca 0.35 1.34 -0.33 0.00 0.04 0.00 0.00 61.00 62.40 2crm s PRO 112 Cb -0.17 -4.14 -0.14 0.00 0.04 0.00 0.00 34.50 30.10 2crm s PRO 112 CO 0.19 -1.74 1.59 0.00 0.04 0.00 0.00 177.00 177.08 2crm n ALA 113 N 9.77 1.59 0.33 8.56 0.00 -1.26 -4.09 120.51 135.41 2crm n ALA 113 Ca 0.21 0.44 0.12 0.00 0.00 0.00 0.00 53.44 54.21 2crm n ALA 113 Cb 0.47 -2.37 0.13 0.00 0.00 0.00 0.00 19.45 17.67 2crm n ALA 113 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2crm h VAL 114 N 3.60 0.00 -3.23 0.00 -1.51 -1.93 -3.46 116.25 109.72 2crm h VAL 114 Ca -0.45 -0.78 -0.64 0.00 -1.23 0.00 0.00 66.70 63.60 2crm h VAL 114 Cb 1.25 1.46 -0.12 0.00 -2.13 0.00 0.00 31.29 31.74 2crm h VAL 114 CO 0.89 0.00 -0.68 -0.55 -1.23 0.00 0.00 177.57 176.00 2crm s SER 115 N -5.08 4.82 0.00 4.19 0.15 -1.26 -5.03 113.70 111.49 2crm s SER 115 Ca 0.04 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2crm s SER 115 Cb 0.10 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 2crm s SER 115 CO 0.72 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.92 2crm n GLY 116 N 0.35 1.21 0.00 9.45 0.00 -1.26 -4.77 105.19 110.17 2crm n GLY 116 Ca -0.11 -1.48 0.07 0.00 0.00 0.00 0.00 46.02 44.50 2crm n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crm n PRO 117 N 1.57 0.26 -1.68 1.61 -0.04 -1.26 -4.82 135.00 130.63 2crm n PRO 117 Ca 0.00 0.12 -0.44 0.00 -0.04 0.00 0.00 63.50 63.14 2crm n PRO 117 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2crm n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2crm n SER 118 N -1.24 2.90 -4.93 3.54 2.88 -1.26 -4.98 113.62 110.53 2crm n SER 118 Ca 0.08 1.14 -0.27 0.00 -1.33 0.00 0.00 58.87 58.49 2crm n SER 118 Cb 0.11 -1.45 -0.03 0.00 -0.75 0.00 0.00 64.21 62.09 2crm n SER 118 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2crm s SER 119 N 0.36 6.37 0.00 -3.46 1.04 -1.26 -5.05 113.70 111.70 2crm s SER 119 Ca 0.69 0.33 0.00 0.00 0.48 0.00 0.00 55.95 57.45 2crm s SER 119 Cb -0.63 -1.98 0.00 0.00 0.10 0.00 0.00 66.02 63.51 2crm s SER 119 CO 0.49 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.29