#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 3.80 0.00 1.61 1.04 -1.26 -5.09 113.70 113.81 2crm s SER 2 Ca 0.00 -1.21 -0.04 0.00 0.48 0.00 0.00 55.95 55.18 2crm s SER 2 Cb 0.00 -0.38 -0.01 0.00 0.10 0.00 0.00 66.02 65.73 2crm s SER 2 CO 0.00 -0.25 -0.08 -1.20 0.98 0.00 0.00 173.24 172.69 2crm n SER 3 N -0.84 0.97 0.00 7.02 7.64 -1.26 -5.03 113.62 122.12 2crm n SER 3 Ca -0.05 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2crm n SER 3 Cb 0.64 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2crm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crm n GLY 4 N 2.83 2.30 3.48 0.23 0.00 -1.26 -5.00 105.19 107.77 2crm n GLY 4 Ca -0.03 -0.46 -0.55 0.00 0.00 0.00 0.00 46.02 44.97 2crm n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2crm n SER 5 N 2.13 -0.21 -3.59 1.61 2.88 -1.26 -4.94 113.62 110.24 2crm n SER 5 Ca 0.00 1.15 -0.05 0.00 -1.33 0.00 0.00 58.87 58.64 2crm n SER 5 Cb 0.00 -0.95 -0.00 0.00 -0.75 0.00 0.00 64.21 62.50 2crm n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2crm s SER 6 N -0.24 -0.14 0.00 -3.46 0.01 -1.26 -5.16 113.70 103.45 2crm s SER 6 Ca 0.83 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2crm s SER 6 Cb -1.15 0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.69 2crm s SER 6 CO 0.56 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.66 2crm n GLY 7 N -0.51 2.74 3.64 3.44 0.00 -1.26 -5.19 105.19 108.04 2crm n GLY 7 Ca -0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 2crm n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crm s VAL 8 N 0.00 0.00 0.03 1.61 0.11 -1.26 -5.17 120.40 115.71 2crm s VAL 8 Ca 0.00 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 2crm s VAL 8 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2crm s VAL 8 CO 0.00 0.00 -0.24 0.54 -3.33 0.00 0.00 175.10 172.07 2crm s VAL 9 N -0.26 1.93 0.02 2.04 0.11 -1.26 -5.14 120.40 117.83 2crm s VAL 9 Ca 0.05 -1.23 -0.06 0.00 -2.93 0.00 0.00 61.98 57.82 2crm s VAL 9 Cb -0.04 -1.64 -0.01 0.00 -1.53 0.00 0.00 36.38 33.17 2crm s VAL 9 CO -0.10 0.37 0.10 -1.61 -3.33 0.00 0.00 175.10 170.53 2crm s GLU 10 N -1.03 0.50 1.00 1.54 2.02 -1.26 -5.16 118.70 116.31 2crm s GLU 10 Ca 0.10 -0.55 -0.13 0.00 0.02 0.00 0.00 54.97 54.40 2crm s GLU 10 Cb -0.09 0.20 0.19 0.00 0.10 0.00 0.00 34.13 34.52 2crm s GLU 10 CO 0.01 -0.12 1.12 -0.06 0.02 0.00 0.00 175.26 176.23 2crm s PHE 11 N -1.84 2.01 -0.24 1.61 0.40 -1.26 -5.09 117.98 113.57 2crm s PHE 11 Ca -0.11 0.83 -0.26 0.00 -0.60 0.00 0.00 56.93 56.78 2crm s PHE 11 Cb -0.06 -3.38 0.10 0.00 0.51 0.00 0.00 43.02 40.20 2crm s PHE 11 CO -0.01 -2.85 0.91 0.99 0.70 0.00 0.00 175.22 174.96 2crm s THR 12 N -3.13 0.00 -0.76 0.64 2.01 -1.26 -5.11 115.64 108.03 2crm s THR 12 Ca 0.66 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.58 2crm s THR 12 Cb -0.15 -1.00 0.20 0.00 0.01 0.00 0.00 72.50 71.55 2crm s THR 12 CO 0.56 0.00 0.64 0.42 -0.69 0.00 0.00 174.62 175.54 2crm s THR 13 N -0.04 4.67 -0.10 -0.82 -4.23 -1.26 -5.01 115.64 108.85 2crm s THR 13 Ca 0.00 -2.86 -0.30 0.00 -1.18 0.00 0.00 61.69 57.35 2crm s THR 13 Cb -0.04 -3.94 0.09 0.00 1.34 0.00 0.00 72.50 69.95 2crm s THR 13 CO -0.02 -0.97 0.79 0.00 -0.54 0.00 0.00 174.62 173.88 2crm n PRO 15 N 0.94 0.21 -2.73 0.00 -0.04 -1.26 -5.01 135.00 127.11 2crm n PRO 15 Ca -0.16 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 62.97 2crm n PRO 15 Cb 0.57 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.97 2crm n PRO 15 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2crm s ASP 16 N -1.51 6.76 -0.06 3.54 2.15 -1.26 -5.02 116.67 121.27 2crm s ASP 16 Ca 0.00 1.76 -0.15 0.00 0.43 0.00 0.00 52.55 54.59 2crm s ASP 16 Cb 0.00 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 40.02 2crm s ASP 16 CO 0.00 -0.49 0.39 -0.75 -0.17 0.00 0.00 175.17 174.15 2crm s LYS 17 N -3.20 4.04 0.23 4.34 2.20 -1.26 -3.94 119.74 122.15 2crm s LYS 17 Ca 0.64 0.33 -0.00 0.00 -0.36 0.00 0.00 55.97 56.58 2crm s LYS 17 Cb -0.11 -3.30 0.23 0.00 -1.51 0.00 0.00 37.83 33.14 2crm s LYS 17 CO 0.15 0.51 1.59 -1.00 -0.36 0.00 0.00 175.35 176.24 2crm h PRO 18 N 5.48 0.50 0.00 4.03 0.13 -1.77 -3.41 132.00 136.96 2crm h PRO 18 Ca -0.48 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 2crm h PRO 18 Cb 1.20 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2crm h PRO 18 CO 0.67 0.84 0.00 0.41 -0.23 0.00 0.00 178.00 179.69 2crm n GLY 19 N 0.01 -0.90 3.75 1.56 0.00 -1.26 -4.29 105.19 104.07 2crm n GLY 19 Ca -0.02 -1.64 -0.41 0.00 0.00 0.00 0.00 46.02 43.95 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 -2.42 2.74 0.82 -0.61 1.09 -1.26 -4.73 121.20 116.84 2crm s ILE 20 Ca 0.00 0.67 -0.11 0.00 -1.10 0.00 0.00 60.65 60.11 2crm s ILE 20 Cb 0.00 -3.43 0.08 0.00 -1.06 0.00 0.00 42.46 38.06 2crm s ILE 20 CO 0.00 0.13 1.09 -2.16 -0.10 0.00 0.00 174.94 173.90 2crm s PRO 21 N -0.93 1.87 0.25 2.79 0.04 -1.26 -4.89 135.00 132.87 2crm s PRO 21 Ca 0.55 1.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.31 2crm s PRO 21 Cb -0.40 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.16 2crm s PRO 21 CO 0.47 -1.88 1.67 0.08 0.04 0.00 0.00 177.00 177.39 2crm s VAL 22 N -2.92 2.01 0.13 -0.36 1.01 -1.13 -4.83 120.40 114.32 2crm s VAL 22 Ca 0.62 0.01 -0.34 0.00 0.00 0.00 0.00 61.98 62.26 2crm s VAL 22 Cb -0.17 -3.00 -0.17 0.00 0.00 0.00 0.00 36.38 33.04 2crm s VAL 22 CO 0.56 0.00 1.13 1.17 0.00 0.00 0.00 175.10 177.96 2crm n LYS 23 N 3.16 0.90 -2.13 2.72 0.00 -1.26 -4.06 118.16 117.48 2crm n LYS 23 Ca 0.12 0.32 -0.43 0.00 0.00 0.00 0.00 58.31 58.33 2crm n LYS 23 Cb 0.36 -1.81 -0.03 0.00 0.00 0.00 0.00 35.03 33.56 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 -0.22 4.02 0.41 1.64 0.04 -1.26 -4.55 135.00 135.07 2crm s PRO 24 Ca 0.77 1.85 0.08 0.00 0.04 0.00 0.00 61.00 63.74 2crm s PRO 24 Cb -0.94 -3.97 -0.03 0.00 0.04 0.00 0.00 34.50 29.61 2crm s PRO 24 CO 0.52 -1.02 0.30 -1.12 0.04 0.00 0.00 177.00 175.73 2crm s SER 25 N 3.48 4.86 -0.03 6.66 0.01 -0.85 -4.86 113.70 122.97 2crm s SER 25 Ca 0.69 -0.83 -0.22 0.00 1.31 0.00 0.00 55.95 56.89 2crm s SER 25 Cb -0.27 -0.57 -0.05 0.00 0.21 0.00 0.00 66.02 65.34 2crm s SER 25 CO 0.27 -0.59 0.67 -0.69 0.41 0.00 0.00 173.24 173.30 2crm s VAL 26 N -2.50 4.95 -0.35 3.43 1.01 -1.26 -1.48 120.40 124.20 2crm s VAL 26 Ca 0.45 1.39 0.03 0.00 0.00 0.00 0.00 61.98 63.85 2crm s VAL 26 Cb -0.01 -4.01 0.10 0.00 0.00 0.00 0.00 36.38 32.46 2crm s VAL 26 CO 0.26 0.33 0.06 -0.75 0.00 0.00 0.00 175.10 175.00 2crm s LYS 27 N 0.30 1.53 0.00 2.72 2.20 -0.66 -4.95 119.74 120.88 2crm s LYS 27 Ca 0.35 -1.87 0.00 0.00 -0.36 0.00 0.00 55.97 54.09 2crm s LYS 27 Cb -0.18 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 2crm s LYS 27 CO 0.18 -0.95 0.00 0.41 -0.36 0.00 0.00 175.35 174.63 2crm n GLY 28 N 4.28 0.29 3.57 5.54 0.00 -1.26 -4.60 105.19 113.00 2crm n GLY 28 Ca 0.03 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 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 3.50 -0.25 1.61 2.20 -1.26 -5.08 119.74 120.47 2crm s LYS 29 Ca 0.00 -0.47 -0.23 0.00 -0.36 0.00 0.00 55.97 54.91 2crm s LYS 29 Cb 0.00 -2.91 -0.01 0.00 -1.51 0.00 0.00 37.83 33.40 2crm s LYS 29 CO 0.00 0.38 0.76 0.42 -0.36 0.00 0.00 175.35 176.55 2crm s ILE 30 N -0.01 4.88 0.52 5.43 1.01 -1.26 -4.76 121.20 127.02 2crm s ILE 30 Ca 0.02 1.41 -0.09 0.00 0.00 0.00 0.00 60.65 61.99 2crm s ILE 30 Cb -0.13 -4.06 0.12 0.00 0.01 0.00 0.00 42.46 38.40 2crm s ILE 30 CO 0.02 -0.05 0.71 1.41 0.00 0.00 0.00 174.94 177.03 2crm n HIS 31 N 5.92 -3.99 0.24 3.97 8.25 0.25 -4.83 115.22 125.02 2crm n HIS 31 Ca 0.03 -0.63 -0.16 0.00 -0.26 0.00 0.00 57.72 56.71 2crm n HIS 31 Cb 0.48 -0.55 -0.08 0.00 1.12 0.00 0.00 29.99 30.97 2crm n HIS 31 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 2crm h SER 32 N -0.92 -0.94 -1.21 0.41 0.02 -1.97 -3.35 113.55 105.58 2crm h SER 32 Ca -0.23 0.08 -0.43 0.00 -0.84 0.00 0.00 61.79 60.37 2crm h SER 32 Cb 0.63 0.31 -0.41 0.00 0.14 0.00 0.00 62.40 63.08 2crm h SER 32 CO 0.16 -0.50 -1.08 0.00 -1.14 0.00 0.00 176.83 174.27 2crm n HIS 33 N -5.46 1.68 -3.65 3.45 -0.00 -1.26 -3.70 115.22 106.28 2crm n HIS 33 Ca -0.10 -2.96 -0.01 0.00 -0.00 0.00 0.00 57.72 54.65 2crm n HIS 33 Cb 0.36 -0.31 -0.06 0.00 -0.00 0.00 0.00 29.99 29.98 2crm n HIS 33 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2crm s SER 34 N -3.18 -0.37 -0.01 4.39 1.04 -1.26 -3.13 113.70 111.19 2crm s SER 34 Ca 0.33 0.59 -0.26 0.00 0.48 0.00 0.00 55.95 57.09 2crm s SER 34 Cb 0.44 1.12 0.06 0.00 0.10 0.00 0.00 66.02 67.73 2crm s SER 34 CO -0.02 -0.09 0.58 0.72 0.98 0.00 0.00 173.24 175.40 2crm s PHE 35 N 1.19 -0.53 -0.16 5.02 -0.12 -1.24 -0.59 117.98 121.56 2crm s PHE 35 Ca -0.08 0.79 -0.12 0.00 -0.05 0.00 0.00 56.93 57.47 2crm s PHE 35 Cb -0.03 0.36 -0.05 0.00 -0.63 0.00 0.00 43.02 42.67 2crm s PHE 35 CO -0.13 -0.60 0.23 0.15 -0.05 0.00 0.00 175.22 174.82 2crm s LYS 36 N -1.67 4.15 -0.07 1.99 1.02 -1.26 -1.43 119.74 122.46 2crm s LYS 36 Ca -0.09 -0.02 0.04 0.00 0.02 0.00 0.00 55.97 55.92 2crm s LYS 36 Cb -0.01 -3.39 0.00 0.00 -0.52 0.00 0.00 37.83 33.91 2crm s LYS 36 CO 0.05 0.33 -0.18 0.96 -0.92 0.00 0.00 175.35 175.58 2crm s ILE 37 N 0.24 1.57 -0.05 2.17 -4.36 0.64 -1.65 121.20 119.75 2crm s ILE 37 Ca 0.14 -0.75 0.04 0.00 -0.26 0.00 0.00 60.65 59.82 2crm s ILE 37 Cb -0.12 -1.37 -0.00 0.00 1.25 0.00 0.00 42.46 42.21 2crm s ILE 37 CO 0.02 0.45 -0.18 0.28 0.24 0.00 0.00 174.94 175.76 2crm s THR 38 N 0.36 1.49 -0.36 8.37 -1.32 -0.55 -1.54 115.64 122.08 2crm s THR 38 Ca -0.13 -0.74 -0.05 0.00 -1.21 0.00 0.00 61.69 59.56 2crm s THR 38 Cb -0.15 -1.28 0.07 0.00 -1.51 0.00 0.00 72.50 69.62 2crm s THR 38 CO 0.05 0.43 0.13 -1.66 -2.21 0.00 0.00 174.62 171.36 2crm s TRP 39 N 0.10 3.35 0.95 9.09 -2.14 -1.25 -2.01 118.94 127.03 2crm s TRP 39 Ca -0.06 -1.78 -0.15 0.00 2.66 0.00 0.00 56.10 56.76 2crm s TRP 39 Cb -0.12 -2.59 -0.08 0.00 -3.10 0.00 0.00 33.47 27.58 2crm s TRP 39 CO 0.03 -0.83 -0.29 -0.25 -2.66 0.00 0.00 176.95 172.95 2crm n ASP 40 N 4.74 -4.35 -4.74 -2.66 8.00 -1.26 -4.69 116.55 111.58 2crm n ASP 40 Ca -0.10 0.27 -0.30 0.00 0.71 0.00 0.00 54.79 55.37 2crm n ASP 40 Cb 0.43 -0.94 0.12 0.00 -0.02 0.00 0.00 41.12 40.71 2crm n ASP 40 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2crm s PRO 41 N -2.58 1.74 1.21 -0.24 0.04 -1.26 -2.82 135.00 131.09 2crm s PRO 41 Ca 0.48 0.99 -0.19 0.00 0.04 0.00 0.00 61.00 62.32 2crm s PRO 41 Cb -0.21 -1.85 0.29 0.00 0.04 0.00 0.00 34.50 32.77 2crm s PRO 41 CO 0.76 -1.96 1.11 -1.25 0.04 0.00 0.00 177.00 175.70 2crm s PRO 42 N -4.92 -1.27 -0.40 0.56 0.04 -1.26 -4.44 135.00 123.32 2crm s PRO 42 Ca 0.62 -0.08 0.02 0.00 0.04 0.00 0.00 61.00 61.60 2crm s PRO 42 Cb -0.18 -1.59 0.11 0.00 0.04 0.00 0.00 34.50 32.88 2crm s PRO 42 CO 0.56 -3.74 0.14 0.15 0.04 0.00 0.00 177.00 174.16 2crm s LYS 43 N -5.41 1.75 -0.94 4.56 1.02 -1.26 -4.73 119.74 114.73 2crm s LYS 43 Ca 0.71 -1.99 -0.01 0.00 0.02 0.00 0.00 55.97 54.71 2crm s LYS 43 Cb -0.10 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 2crm s LYS 43 CO 0.56 -1.01 0.79 -0.25 -0.92 0.00 0.00 175.35 174.52 2crm n ASP 44 N 4.17 -2.36 -0.29 2.83 8.00 -1.26 -4.89 116.55 122.76 2crm n ASP 44 Ca 0.03 -0.47 -0.04 0.00 0.71 0.00 0.00 54.79 55.01 2crm n ASP 44 Cb 0.40 -4.07 -0.01 0.00 -0.02 0.00 0.00 41.12 37.42 2crm n ASP 44 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2crm n ASN 45 N -2.58 -0.59 0.00 -2.24 6.94 -1.26 -4.90 115.26 110.62 2crm n ASN 45 Ca -0.20 1.26 0.00 0.00 -0.02 0.00 0.00 54.58 55.62 2crm n ASN 45 Cb 0.62 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.81 2crm n ASN 45 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2crm n GLY 46 N -1.27 0.22 0.27 4.83 0.00 -1.26 -2.73 105.19 105.25 2crm n GLY 46 Ca 0.05 -2.30 0.26 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.40 -0.60 3.57 -0.02 0.00 -1.26 -3.71 105.19 102.77 2crm n GLY 47 Ca 0.00 0.64 -0.42 0.00 0.00 0.00 0.00 46.02 46.24 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 -5.18 2.92 0.02 4.61 0.00 -1.25 -4.98 121.76 117.89 2crm s ALA 48 Ca -0.07 -0.97 -0.26 0.00 0.00 0.00 0.00 51.96 50.66 2crm s ALA 48 Cb 0.27 -4.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 2crm s ALA 48 CO 0.62 -2.85 0.79 -0.08 0.00 0.00 0.00 175.76 174.24 2crm s THR 49 N 5.23 4.81 0.23 0.00 -1.32 -1.24 -4.64 115.64 118.71 2crm s THR 49 Ca 0.41 1.67 -0.29 0.00 -1.21 0.00 0.00 61.69 62.27 2crm s THR 49 Cb -0.08 -4.14 -0.16 0.00 -1.51 0.00 0.00 72.50 66.62 2crm s THR 49 CO 0.22 0.31 0.83 -0.38 -2.21 0.00 0.00 174.62 173.39 2crm n ILE 50 N 3.19 1.78 -0.03 5.08 2.08 -1.26 -4.54 119.36 125.66 2crm n ILE 50 Ca -0.01 -0.44 -0.06 0.00 0.56 0.00 0.00 62.75 62.80 2crm n ILE 50 Cb 0.51 -0.53 -0.03 0.00 -0.75 0.00 0.00 39.64 38.84 2crm n ILE 50 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 2crm n ASN 51 N 1.65 2.25 -3.62 4.38 3.02 -1.24 -5.01 115.26 116.69 2crm n ASN 51 Ca 0.14 0.02 -0.14 0.00 -0.03 0.00 0.00 54.58 54.57 2crm n ASN 51 Cb 0.27 -0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 2crm n ASN 51 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2crm s LYS 52 N -2.13 0.95 -0.11 3.52 2.20 -1.26 -4.90 119.74 118.01 2crm s LYS 52 Ca -0.09 -0.22 0.01 0.00 -0.36 0.00 0.00 55.97 55.30 2crm s LYS 52 Cb 0.03 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.77 2crm s LYS 52 CO 0.14 -0.33 -0.14 0.71 -0.36 0.00 0.00 175.35 175.38 2crm s TYR 53 N -2.19 2.77 -0.00 4.03 2.02 -0.11 -2.46 117.35 121.41 2crm s TYR 53 Ca -0.07 -0.59 0.05 0.00 -0.37 0.00 0.00 57.07 56.09 2crm s TYR 53 Cb -0.01 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.74 2crm s TYR 53 CO 0.00 -0.16 -0.15 0.08 -1.57 0.00 0.00 175.55 173.75 2crm s VAL 54 N 0.16 1.21 0.16 0.71 1.01 -1.09 -1.66 120.40 120.91 2crm s VAL 54 Ca -0.08 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.28 2crm s VAL 54 Cb -0.15 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2crm s VAL 54 CO 0.05 0.30 -0.11 -0.69 0.00 0.00 0.00 175.10 174.65 2crm s VAL 55 N -0.43 3.14 -0.16 2.92 1.01 -1.10 -1.98 120.40 123.81 2crm s VAL 55 Ca 0.06 -1.60 -0.02 0.00 0.00 0.00 0.00 61.98 60.41 2crm s VAL 55 Cb -0.06 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 33.84 2crm s VAL 55 CO -0.00 -0.06 0.02 -1.61 0.00 0.00 0.00 175.10 173.46 2crm s GLU 56 N -2.66 0.65 0.01 2.72 2.02 0.16 -2.46 118.70 119.14 2crm s GLU 56 Ca 0.23 -0.26 0.02 0.00 0.02 0.00 0.00 54.97 54.98 2crm s GLU 56 Cb -0.09 -1.78 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 2crm s GLU 56 CO 0.14 -0.54 -0.02 1.41 0.02 0.00 0.00 175.26 176.27 2crm s MET 57 N 1.89 2.70 0.24 1.61 1.75 -1.25 -0.33 119.30 125.91 2crm s MET 57 Ca 0.01 -0.66 0.10 0.00 -1.25 0.00 0.00 55.69 53.88 2crm s MET 57 Cb -0.16 -2.61 -0.05 0.00 2.84 0.00 0.00 34.83 34.86 2crm s MET 57 CO -0.07 0.61 -0.17 0.00 -0.65 0.00 0.00 175.02 174.74 2crm s ALA 58 N -1.08 2.33 -0.52 4.11 0.00 0.68 -3.66 121.76 123.61 2crm s ALA 58 Ca 0.19 -1.76 -0.27 0.00 0.00 0.00 0.00 51.96 50.13 2crm s ALA 58 Cb -0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 2crm s ALA 58 CO 0.10 0.15 1.95 -2.00 0.00 0.00 0.00 175.76 175.96 2crm s GLU 59 N -3.59 2.71 6.65 0.00 2.12 -1.25 -3.31 118.70 122.02 2crm s GLU 59 Ca 0.26 0.96 0.00 0.00 0.36 0.00 0.00 54.97 56.55 2crm s GLU 59 Cb -0.02 -4.38 0.00 0.00 0.26 0.00 0.00 34.13 29.99 2crm s GLU 59 CO 0.10 -2.61 0.00 0.41 -0.54 0.00 0.00 175.26 172.62 2crm n GLY 60 N 5.69 3.57 0.45 -1.50 0.00 -1.18 -2.69 105.19 109.53 2crm n GLY 60 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2crm n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2crm n SER 61 N 5.09 0.00 -0.26 1.61 2.88 -1.26 -1.74 113.62 119.95 2crm n SER 61 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 2crm n SER 61 Cb 0.00 -0.25 0.03 0.00 -0.75 0.00 0.00 64.21 63.24 2crm n SER 61 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2crm h ASN 62 N 0.00 -1.16 -1.24 -3.46 -1.07 -2.00 -3.39 115.58 103.27 2crm h ASN 62 Ca 0.00 0.25 -0.69 0.00 0.07 0.00 0.00 56.30 55.93 2crm h ASN 62 Cb 0.00 0.60 -0.01 0.00 -2.07 0.00 0.00 38.32 36.85 2crm h ASN 62 CO 0.00 -0.29 1.25 0.61 0.07 0.00 0.00 177.43 179.07 2crm n GLY 63 N -1.46 0.65 2.53 9.14 0.00 -1.09 -4.83 105.19 110.13 2crm n GLY 63 Ca 0.07 0.94 -0.33 0.00 0.00 0.00 0.00 46.02 46.69 2crm n GLY 63 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2crm n ASN 64 N 8.24 7.29 -4.36 1.61 4.13 -1.26 -3.83 115.26 127.08 2crm n ASN 64 Ca 0.36 -3.62 -0.45 0.00 1.68 0.00 0.00 54.58 52.55 2crm n ASN 64 Cb 0.19 -1.07 -0.01 0.00 -1.54 0.00 0.00 39.78 37.36 2crm n ASN 64 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2crm s LYS 65 N -3.33 3.96 -0.42 3.52 -0.14 -1.26 -5.00 119.74 117.07 2crm s LYS 65 Ca 0.55 -2.79 -0.18 0.00 -1.36 0.00 0.00 55.97 52.20 2crm s LYS 65 Cb 0.43 -4.62 0.02 0.00 -1.68 0.00 0.00 37.83 31.98 2crm s LYS 65 CO -0.20 -1.37 0.46 -1.58 -0.76 0.00 0.00 175.35 171.89 2crm s TRP 66 N -0.13 3.16 -0.01 3.18 0.52 -1.26 -3.86 118.94 120.55 2crm s TRP 66 Ca 0.29 -0.32 0.00 0.00 0.02 0.00 0.00 56.10 56.09 2crm s TRP 66 Cb -0.09 -2.93 0.01 0.00 -1.15 0.00 0.00 33.47 29.31 2crm s TRP 66 CO -0.07 -0.71 0.00 -2.00 0.02 0.00 0.00 176.95 174.19 2crm s GLU 67 N 2.20 0.05 0.07 4.98 2.12 -1.24 -4.98 118.70 121.90 2crm s GLU 67 Ca 0.13 0.02 -0.37 0.00 0.36 0.00 0.00 54.97 55.11 2crm s GLU 67 Cb -0.17 -0.11 -0.18 0.00 0.26 0.00 0.00 34.13 33.94 2crm s GLU 67 CO 0.14 -0.03 1.24 -0.12 -0.54 0.00 0.00 175.26 175.96 2crm n MET 68 N 3.32 0.81 -0.01 4.30 0.00 -1.26 -3.90 117.12 120.38 2crm n MET 68 Ca -0.16 0.29 -0.02 0.00 -0.00 0.00 0.00 57.70 57.82 2crm n MET 68 Cb 0.58 -1.88 -0.02 0.00 0.00 0.00 0.00 33.22 31.90 2crm n MET 68 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 2crm n ILE 69 N 2.13 0.19 -3.97 1.12 -5.35 -1.03 -4.98 119.36 107.46 2crm n ILE 69 Ca 0.19 -0.11 -0.08 0.00 -0.27 0.00 0.00 62.75 62.48 2crm n ILE 69 Cb 0.16 -0.86 -0.09 0.00 -1.74 0.00 0.00 39.64 37.11 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 -2.07 0.30 -0.18 4.28 6.14 -1.26 -5.03 117.35 119.53 2crm s TYR 70 Ca -0.02 -0.69 -0.22 0.00 0.64 0.00 0.00 57.07 56.78 2crm s TYR 70 Cb 0.01 -0.21 0.06 0.00 0.42 0.00 0.00 41.96 42.23 2crm s TYR 70 CO 0.10 -0.38 0.59 -1.54 0.64 0.00 0.00 175.55 174.96 2crm s SER 71 N -2.42 -0.59 0.00 4.32 1.04 -1.26 -2.72 113.70 112.07 2crm s SER 71 Ca -0.01 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.46 2crm s SER 71 Cb 0.02 1.03 0.00 0.00 0.10 0.00 0.00 66.02 67.17 2crm s SER 71 CO -0.07 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2crm n GLY 72 N 2.34 0.53 0.05 7.32 0.00 -0.66 -4.98 105.19 109.78 2crm n GLY 72 Ca -0.15 -1.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.10 2crm n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crm h ALA 73 N 0.00 0.00 -0.70 4.61 0.00 -1.90 -0.27 119.26 121.00 2crm h ALA 73 Ca 0.00 -0.31 -0.60 0.00 0.00 0.00 0.00 54.91 54.00 2crm h ALA 73 Cb 0.00 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2crm h ALA 73 CO 0.00 0.26 0.40 2.41 0.00 0.00 0.00 179.25 182.32 2crm n THR 74 N -4.06 0.00 0.08 0.00 -1.04 -1.26 -4.79 114.28 103.21 2crm n THR 74 Ca -0.04 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.79 2crm n THR 74 Cb 0.14 -0.28 -0.10 0.00 -1.82 0.00 0.00 70.33 68.26 2crm n THR 74 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2crm h ARG 75 N 3.23 0.53 -6.13 -2.82 3.08 -1.91 -3.41 114.38 106.95 2crm h ARG 75 Ca -0.32 -0.66 -0.52 0.00 0.07 0.00 0.00 59.98 58.56 2crm h ARG 75 Cb 0.97 0.21 -0.07 0.00 0.08 0.00 0.00 29.97 31.15 2crm h ARG 75 CO 0.64 1.27 1.20 -1.21 -1.07 0.00 0.00 179.97 180.80 2crm s GLU 76 N -3.08 3.12 0.07 0.04 2.02 -1.26 -3.90 118.70 115.70 2crm s GLU 76 Ca -0.08 -0.35 0.06 0.00 0.02 0.00 0.00 54.97 54.63 2crm s GLU 76 Cb 0.07 -4.69 -0.04 0.00 0.10 0.00 0.00 34.13 29.58 2crm s GLU 76 CO 0.91 -2.45 -0.12 -1.58 0.02 0.00 0.00 175.26 172.04 2crm s HIS 77 N 6.73 2.70 -0.30 1.61 5.65 -0.59 -4.91 115.29 126.18 2crm s HIS 77 Ca 0.49 -0.17 -0.11 0.00 0.25 0.00 0.00 55.06 55.52 2crm s HIS 77 Cb -0.06 -1.47 -0.03 0.00 -1.18 0.00 0.00 32.58 29.84 2crm s HIS 77 CO 0.07 0.36 0.20 -1.17 -0.65 0.00 0.00 174.74 173.55 2crm s LEU 78 N -1.83 4.19 -0.69 8.88 2.96 -1.26 -0.26 118.68 130.67 2crm s LEU 78 Ca 0.18 -0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.68 2crm s LEU 78 Cb -0.11 -2.11 0.12 0.00 0.50 0.00 0.00 46.19 44.60 2crm s LEU 78 CO 0.10 -0.13 0.80 0.00 -1.32 0.00 0.00 176.35 175.80 2crm n ASP 80 N 6.14 0.59 -3.14 0.00 5.75 -1.26 -3.59 116.55 121.04 2crm n ASP 80 Ca -0.00 -1.53 -0.16 0.00 -0.01 0.00 0.00 54.79 53.09 2crm n ASP 80 Cb 0.44 -0.35 0.08 0.00 -1.03 0.00 0.00 41.12 40.26 2crm n ASP 80 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2crm n ARG 81 N -2.00 -6.06 -2.79 0.11 1.74 -1.25 -4.98 116.66 101.43 2crm n ARG 81 Ca 0.08 0.74 -0.17 0.00 -0.77 0.00 0.00 57.85 57.73 2crm n ARG 81 Cb 0.30 -5.44 0.03 0.00 -1.02 0.00 0.00 32.46 26.32 2crm n ARG 81 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2crm n LEU 82 N -3.89 0.00 -3.98 0.55 4.77 -1.18 -5.08 117.00 108.18 2crm n LEU 82 Ca -0.19 -1.98 -0.29 0.00 -0.03 0.00 0.00 56.01 53.52 2crm n LEU 82 Cb 0.63 -0.20 -0.17 0.00 -2.33 0.00 0.00 43.42 41.35 2crm n LEU 82 CO 0.54 -0.59 -0.47 0.20 -1.33 0.00 0.00 177.39 175.74 2crm s ASN 83 N -3.57 2.49 0.07 -1.43 0.02 -1.26 -4.78 114.94 106.48 2crm s ASN 83 Ca 0.36 -0.42 -0.31 0.00 -1.02 0.00 0.00 52.86 51.48 2crm s ASN 83 Cb -0.03 -1.06 -0.07 0.00 0.02 0.00 0.00 41.25 40.12 2crm s ASN 83 CO 0.23 -0.08 1.40 -2.16 0.02 0.00 0.00 177.10 176.51 2crm s PRO 84 N 1.54 4.31 0.00 -0.60 0.04 -1.24 -3.37 135.00 135.68 2crm s PRO 84 Ca 0.04 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2crm s PRO 84 Cb -0.13 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.02 2crm s PRO 84 CO -0.09 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2crm n GLY 85 N 3.56 0.93 3.58 0.56 0.00 -1.00 -4.66 105.19 108.15 2crm n GLY 85 Ca 0.12 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.01 2.22 -0.29 0.00 0.08 -1.26 -3.50 117.98 111.22 2crm s PHE 87 Ca 0.22 -0.24 -0.18 0.00 0.12 0.00 0.00 56.93 56.84 2crm s PHE 87 Cb -0.01 -2.72 0.14 0.00 -0.57 0.00 0.00 43.02 39.87 2crm s PHE 87 CO 0.08 -1.15 1.01 0.71 -0.10 0.00 0.00 175.22 175.77 2crm s TYR 88 N -2.83 -0.52 -0.13 0.36 2.02 -1.25 -3.09 117.35 111.90 2crm s TYR 88 Ca 0.61 1.09 -0.03 0.00 -0.37 0.00 0.00 57.07 58.37 2crm s TYR 88 Cb -0.08 0.35 -0.03 0.00 -0.40 0.00 0.00 41.96 41.80 2crm s TYR 88 CO 0.40 -0.26 -0.02 1.03 -1.57 0.00 0.00 175.55 175.13 2crm s ARG 89 N 1.06 3.45 0.07 -0.62 0.52 -0.71 -3.06 118.95 119.66 2crm s ARG 89 Ca -0.06 -0.48 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 2crm s ARG 89 Cb -0.04 -2.88 -0.03 0.00 0.52 0.00 0.00 34.95 32.52 2crm s ARG 89 CO -0.13 0.39 -0.15 -0.51 0.02 0.00 0.00 175.30 174.92 2crm s LEU 90 N -0.04 2.25 -0.05 2.53 1.02 -1.14 -0.23 118.68 123.02 2crm s LEU 90 Ca 0.02 -0.58 -0.03 0.00 0.02 0.00 0.00 54.13 53.56 2crm s LEU 90 Cb -0.13 -0.59 0.03 0.00 0.02 0.00 0.00 46.19 45.52 2crm s LEU 90 CO 0.02 -0.03 0.11 -0.13 0.02 0.00 0.00 176.35 176.35 2crm s ARG 91 N -1.60 0.08 -0.01 1.70 0.52 0.55 -0.47 118.95 119.72 2crm s ARG 91 Ca 0.00 0.27 0.05 0.00 -0.52 0.00 0.00 55.73 55.52 2crm s ARG 91 Cb -0.09 -0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.23 2crm s ARG 91 CO 0.02 -0.12 -0.14 0.08 0.02 0.00 0.00 175.30 175.17 2crm s VAL 92 N 0.79 3.11 0.04 3.52 1.01 -1.26 0.37 120.40 127.98 2crm s VAL 92 Ca -0.06 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 2crm s VAL 92 Cb -0.08 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.01 2crm s VAL 92 CO -0.04 0.47 0.11 -0.72 0.00 0.00 0.00 175.10 174.92 2crm s TYR 93 N -0.85 0.19 0.11 5.22 1.13 -0.84 -1.50 117.35 120.81 2crm s TYR 93 Ca 0.14 -0.50 0.02 0.00 -1.41 0.00 0.00 57.07 55.31 2crm s TYR 93 Cb -0.11 -0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.58 2crm s TYR 93 CO 0.04 -0.38 0.22 0.00 -2.51 0.00 0.00 175.55 172.91 2crm s ILE 95 N -1.61 2.84 0.46 0.00 1.01 -1.03 -0.78 121.20 122.10 2crm s ILE 95 Ca 0.34 -4.12 -0.01 0.00 0.00 0.00 0.00 60.65 56.86 2crm s ILE 95 Cb -0.12 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 2crm s ILE 95 CO 0.27 -0.97 0.70 -0.44 0.00 0.00 0.00 174.94 174.50 2crm s SER 96 N -1.25 5.85 0.00 3.58 0.01 0.18 -3.63 113.70 118.44 2crm s SER 96 Ca 0.23 0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.88 2crm s SER 96 Cb -0.08 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.52 2crm s SER 96 CO -0.14 -0.72 0.74 -0.67 0.41 0.00 0.00 173.24 172.86 2crm n ASP 97 N -2.14 0.00 -0.43 2.44 2.03 -1.26 0.14 116.55 117.33 2crm n ASP 97 Ca 0.01 0.74 0.35 0.00 0.52 0.00 0.00 54.79 56.42 2crm n ASP 97 Cb 0.57 -0.35 0.58 0.00 -0.72 0.00 0.00 41.12 41.21 2crm n ASP 97 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2crm n GLY 98 N -0.99 -0.71 0.00 0.27 0.00 -1.26 -4.83 105.19 97.67 2crm n GLY 98 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.50 0.31 3.91 -0.02 0.00 0.37 -5.11 105.19 103.15 2crm n GLY 99 Ca 0.34 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.55 2crm n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2crm s GLN 100 N -2.00 3.61 0.13 1.61 1.11 -1.26 -0.65 119.66 122.21 2crm s GLN 100 Ca 0.00 -0.07 0.02 0.00 0.01 0.00 0.00 55.36 55.32 2crm s GLN 100 Cb 0.00 -2.67 -0.04 0.00 -1.01 0.00 0.00 33.01 29.29 2crm s GLN 100 CO 0.00 0.23 0.28 0.45 0.01 0.00 0.00 175.29 176.26 2crm s SER 101 N -3.23 6.35 0.41 5.90 0.15 0.04 -4.95 113.70 118.36 2crm s SER 101 Ca 0.43 0.21 -0.24 0.00 0.70 0.00 0.00 55.95 57.05 2crm s SER 101 Cb -0.11 -1.93 -0.11 0.00 -1.71 0.00 0.00 66.02 62.16 2crm s SER 101 CO 0.30 0.07 0.87 0.00 1.20 0.00 0.00 173.24 175.68 2crm n ALA 102 N -0.37 -0.40 -1.80 5.45 0.00 -1.26 -4.52 120.51 117.61 2crm n ALA 102 Ca -0.06 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 2crm n ALA 102 Cb 0.53 -1.98 -0.03 0.00 0.00 0.00 0.00 19.45 17.97 2crm n ALA 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2crm s VAL 103 N -1.30 3.24 0.94 0.00 -7.23 -1.26 -4.69 120.40 110.10 2crm s VAL 103 Ca 0.63 0.25 -0.15 0.00 -1.81 0.00 0.00 61.98 60.90 2crm s VAL 103 Cb -0.59 -3.31 -0.07 0.00 0.56 0.00 0.00 36.38 32.97 2crm s VAL 103 CO 0.57 -0.18 -0.20 -1.54 -0.31 0.00 0.00 175.10 173.44 2crm n SER 104 N 10.65 -4.03 -4.12 4.85 3.41 -0.56 -4.85 113.62 118.97 2crm n SER 104 Ca 0.26 0.29 -0.36 0.00 -0.26 0.00 0.00 58.87 58.80 2crm n SER 104 Cb 0.45 -0.98 0.07 0.00 -0.26 0.00 0.00 64.21 63.50 2crm n SER 104 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2crm n GLU 105 N 0.53 -0.30 -2.98 4.33 4.71 -1.26 -4.38 120.64 121.29 2crm n GLU 105 Ca 0.03 -0.08 -0.40 0.00 -0.01 0.00 0.00 57.16 56.70 2crm n GLU 105 Cb 0.54 -1.26 -0.05 0.00 -1.01 0.00 0.00 31.44 29.66 2crm n GLU 105 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2crm s SER 106 N -1.32 7.24 -0.44 1.62 1.04 -1.25 -4.38 113.70 116.21 2crm s SER 106 Ca 0.44 1.48 -0.16 0.00 0.48 0.00 0.00 55.95 58.19 2crm s SER 106 Cb -0.09 -2.47 0.05 0.00 0.10 0.00 0.00 66.02 63.60 2crm s SER 106 CO 0.73 0.04 0.37 -0.22 0.98 0.00 0.00 173.24 175.13 2crm s LEU 107 N -0.20 5.31 -0.30 2.42 2.96 0.38 -4.79 118.68 124.46 2crm s LEU 107 Ca 0.38 -1.07 -0.21 0.00 -0.22 0.00 0.00 54.13 53.01 2crm s LEU 107 Cb -0.21 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 2crm s LEU 107 CO 0.23 -0.57 0.69 -0.22 -1.32 0.00 0.00 176.35 175.16 2crm s LEU 108 N 1.74 4.12 -0.12 -0.68 2.96 -1.25 -2.87 118.68 122.58 2crm s LEU 108 Ca 0.06 0.53 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 2crm s LEU 108 Cb -0.21 -2.91 0.02 0.00 0.50 0.00 0.00 46.19 43.58 2crm s LEU 108 CO 0.09 -0.52 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.78 2crm s VAL 109 N 2.73 1.39 -0.41 1.68 1.01 -1.17 -4.99 120.40 120.63 2crm s VAL 109 Ca 0.28 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.55 2crm s VAL 109 Cb -0.15 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 34.95 2crm s VAL 109 CO 0.12 0.42 0.38 -1.58 0.00 0.00 0.00 175.10 174.44 2crm s GLN 110 N 1.29 3.09 0.36 2.72 -0.44 -1.26 -3.84 119.66 121.58 2crm s GLN 110 Ca -0.01 -0.83 -0.22 0.00 -2.50 0.00 0.00 55.36 51.80 2crm s GLN 110 Cb -0.14 -3.96 -0.10 0.00 -1.64 0.00 0.00 33.01 27.17 2crm s GLN 110 CO -0.06 -0.78 0.90 0.95 0.50 0.00 0.00 175.29 176.81 2crm s THR 111 N 1.95 4.37 -0.20 -0.34 -4.23 -1.23 -5.00 115.64 110.96 2crm s THR 111 Ca 0.09 1.55 -0.29 0.00 -1.18 0.00 0.00 61.69 61.86 2crm s THR 111 Cb -0.18 -3.79 -0.03 0.00 1.34 0.00 0.00 72.50 69.85 2crm s THR 111 CO 0.12 -0.08 1.59 -2.16 -0.54 0.00 0.00 174.62 173.56 2crm s PRO 112 N -2.61 3.87 -0.08 3.99 0.04 -1.26 -2.37 135.00 136.59 2crm s PRO 112 Ca 0.55 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 63.01 2crm s PRO 112 Cb -0.14 -4.01 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 2crm s PRO 112 CO 0.18 -1.20 1.43 0.00 0.04 0.00 0.00 177.00 177.45 2crm s ALA 113 N 4.93 3.62 0.76 8.56 0.00 -1.26 -4.22 121.76 134.15 2crm s ALA 113 Ca 0.70 0.74 -0.09 0.00 0.00 0.00 0.00 51.96 53.32 2crm s ALA 113 Cb -0.26 -3.65 0.08 0.00 0.00 0.00 0.00 23.12 19.29 2crm s ALA 113 CO 0.28 -1.15 1.09 0.14 0.00 0.00 0.00 175.76 176.12 2crm s VAL 114 N 3.30 2.16 0.07 0.00 -7.23 -1.26 -4.92 120.40 112.52 2crm s VAL 114 Ca 0.63 -0.17 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 2crm s VAL 114 Cb -0.28 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.63 2crm s VAL 114 CO 0.23 0.00 -0.05 -0.44 -0.31 0.00 0.00 175.10 174.54 2crm s SER 115 N -4.57 0.75 -0.01 4.85 0.01 -1.26 -5.06 113.70 108.41 2crm s SER 115 Ca 0.62 -0.97 -0.08 0.00 1.31 0.00 0.00 55.95 56.83 2crm s SER 115 Cb -0.10 0.15 -0.05 0.00 0.21 0.00 0.00 66.02 66.23 2crm s SER 115 CO 0.47 -0.52 0.28 -0.83 0.41 0.00 0.00 173.24 173.04 2crm s GLY 116 N -2.87 2.28 0.00 3.44 0.00 -1.26 -4.97 107.32 103.94 2crm s GLY 116 Ca 0.08 -0.51 0.15 0.00 0.00 0.00 0.00 44.72 44.43 2crm s GLY 116 CO -0.07 -0.28 1.38 -1.55 0.00 0.00 0.00 173.10 172.58 2crm n PRO 117 N 1.38 0.30 -3.24 2.90 -0.04 -1.26 -4.75 135.00 130.29 2crm n PRO 117 Ca -0.13 0.10 -0.18 0.00 -0.04 0.00 0.00 63.50 63.24 2crm n PRO 117 Cb 0.53 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2crm n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2crm s SER 118 N -2.38 5.56 0.28 3.54 0.15 -1.26 -5.11 113.70 114.48 2crm s SER 118 Ca 0.17 -0.46 -0.16 0.00 0.70 0.00 0.00 55.95 56.21 2crm s SER 118 Cb 0.10 -0.74 -0.09 0.00 -1.71 0.00 0.00 66.02 63.58 2crm s SER 118 CO 0.21 -0.67 0.71 -0.44 1.20 0.00 0.00 173.24 174.25 2crm s SER 119 N -4.26 6.83 0.00 5.45 0.01 -1.26 -5.20 113.70 115.27 2crm s SER 119 Ca 0.51 1.27 0.00 0.00 1.31 0.00 0.00 55.95 59.04 2crm s SER 119 Cb -0.08 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2crm s SER 119 CO 0.31 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.45