#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 4.25 0.25 1.61 1.04 -1.26 -5.10 113.70 114.50 2crm s SER 2 Ca 0.00 -1.71 -0.16 0.00 0.48 0.00 0.00 55.95 54.56 2crm s SER 2 Cb 0.00 -1.22 0.01 0.00 0.10 0.00 0.00 66.02 64.91 2crm s SER 2 CO 0.00 -0.36 0.56 -0.44 0.98 0.00 0.00 173.24 173.98 2crm s SER 3 N 1.31 -0.16 0.00 7.02 0.01 -1.26 -5.14 113.70 115.48 2crm s SER 3 Ca 0.06 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2crm s SER 3 Cb -0.18 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.68 2crm s SER 3 CO -0.14 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 172.92 2crm n GLY 4 N -0.40 2.53 2.93 3.44 0.00 -1.26 -5.17 105.19 107.26 2crm n GLY 4 Ca -0.03 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 2crm n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2crm s SER 5 N 0.00 -0.11 0.11 1.61 0.15 -1.26 -5.16 113.70 109.04 2crm s SER 5 Ca 0.00 0.29 0.08 0.00 0.70 0.00 0.00 55.95 57.02 2crm s SER 5 Cb 0.00 0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 2crm s SER 5 CO 0.00 -0.14 -0.19 -0.55 1.20 0.00 0.00 173.24 173.56 2crm s SER 6 N 1.07 2.42 0.00 5.45 0.15 -1.26 -5.02 113.70 116.50 2crm s SER 6 Ca -0.08 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.86 2crm s SER 6 Cb -0.11 -0.13 0.00 0.00 -1.71 0.00 0.00 66.02 64.08 2crm s SER 6 CO -0.05 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2crm n GLY 7 N 0.98 0.66 3.55 9.45 0.00 -1.26 -5.09 105.19 113.47 2crm n GLY 7 Ca -0.19 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 2crm n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2crm n VAL 8 N 0.00 2.25 -3.03 1.61 0.31 -1.26 -4.94 118.33 113.27 2crm n VAL 8 Ca 0.00 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.46 2crm n VAL 8 Cb 0.00 -0.90 -0.06 0.00 -0.91 0.00 0.00 33.84 31.97 2crm n VAL 8 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2crm s VAL 9 N -1.35 4.47 -0.26 2.52 1.01 -1.26 -5.06 120.40 120.47 2crm s VAL 9 Ca 0.64 1.48 -0.26 0.00 0.00 0.00 0.00 61.98 63.84 2crm s VAL 9 Cb -0.58 -3.96 0.12 0.00 0.00 0.00 0.00 36.38 31.96 2crm s VAL 9 CO 0.57 0.30 1.03 -0.70 0.00 0.00 0.00 175.10 176.30 2crm s GLU 10 N -1.71 0.51 0.46 2.72 2.56 -1.26 -5.15 118.70 116.83 2crm s GLU 10 Ca 0.41 0.51 -0.24 0.00 0.00 0.00 0.00 54.97 55.65 2crm s GLU 10 Cb -0.19 0.25 -0.07 0.00 2.00 0.00 0.00 34.13 36.12 2crm s GLU 10 CO 0.23 -0.08 1.33 -0.06 -0.56 0.00 0.00 175.26 176.11 2crm s PHE 11 N 0.00 2.60 -0.17 5.30 0.08 -1.26 -5.02 117.98 119.52 2crm s PHE 11 Ca 0.02 1.39 -0.00 0.00 0.12 0.00 0.00 56.93 58.46 2crm s PHE 11 Cb -0.04 -3.72 -0.00 0.00 -0.57 0.00 0.00 43.02 38.69 2crm s PHE 11 CO -0.05 -2.42 -0.14 -0.08 -0.10 0.00 0.00 175.22 172.43 2crm s THR 12 N -1.30 2.76 -0.02 0.64 -1.32 -1.26 -5.11 115.64 110.03 2crm s THR 12 Ca 0.63 -0.73 0.02 0.00 -1.21 0.00 0.00 61.69 60.40 2crm s THR 12 Cb -0.39 -2.18 0.00 0.00 -1.51 0.00 0.00 72.50 68.43 2crm s THR 12 CO 0.48 0.50 -0.08 0.42 -2.21 0.00 0.00 174.62 173.74 2crm s THR 13 N 0.92 0.67 0.01 5.08 -4.23 -1.26 -5.07 115.64 111.76 2crm s THR 13 Ca -0.03 -0.31 -0.26 0.00 -1.18 0.00 0.00 61.69 59.92 2crm s THR 13 Cb -0.15 -0.59 -0.14 0.00 1.34 0.00 0.00 72.50 72.95 2crm s THR 13 CO -0.01 0.21 1.07 0.00 -0.54 0.00 0.00 174.62 175.35 2crm s PRO 15 N -4.58 -0.93 0.36 0.00 0.04 -1.26 -5.07 135.00 123.56 2crm s PRO 15 Ca -0.14 0.04 0.07 0.00 0.04 0.00 0.00 61.00 61.02 2crm s PRO 15 Cb 0.01 -1.62 -0.01 0.00 0.04 0.00 0.00 34.50 32.93 2crm s PRO 15 CO 0.41 -3.54 0.48 0.16 0.04 0.00 0.00 177.00 174.55 2crm s ASP 16 N -3.80 5.82 0.42 6.66 1.47 -1.26 -4.84 116.67 121.14 2crm s ASP 16 Ca 0.70 -0.28 -0.25 0.00 1.18 0.00 0.00 52.55 53.90 2crm s ASP 16 Cb -0.11 -1.05 -0.08 0.00 -0.34 0.00 0.00 42.92 41.34 2crm s ASP 16 CO 0.56 -0.52 1.20 -1.59 0.68 0.00 0.00 175.17 175.51 2crm s LYS 17 N -4.21 3.91 0.00 2.11 -2.85 -1.26 -1.92 119.74 115.52 2crm s LYS 17 Ca 0.47 1.90 0.15 0.00 -1.00 0.00 0.00 55.97 57.50 2crm s LYS 17 Cb -0.09 -2.60 0.90 0.00 -2.06 0.00 0.00 37.83 33.98 2crm s LYS 17 CO 0.31 -0.46 1.32 -0.35 0.10 0.00 0.00 175.35 176.27 2crm n PRO 18 N -0.12 0.49 0.00 1.78 -0.04 -1.25 -4.71 135.00 131.14 2crm n PRO 18 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2crm n PRO 18 Cb 0.46 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.48 3.73 0.55 0.00 -1.26 -4.76 105.19 102.96 2crm n GLY 19 Ca 0.11 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 4.93 0.45 -0.61 1.09 -1.26 -4.59 121.20 121.21 2crm s ILE 20 Ca 0.00 -0.00 -0.23 0.00 -1.10 0.00 0.00 60.65 59.32 2crm s ILE 20 Cb 0.00 -3.16 -0.07 0.00 -1.06 0.00 0.00 42.46 38.17 2crm s ILE 20 CO 0.00 0.55 1.17 -2.16 -0.10 0.00 0.00 174.94 174.39 2crm s PRO 21 N -0.41 3.79 0.26 2.79 0.04 -1.26 -4.78 135.00 135.43 2crm s PRO 21 Ca 0.10 1.78 -0.31 0.00 0.04 0.00 0.00 61.00 62.61 2crm s PRO 21 Cb -0.12 -2.43 -0.13 0.00 0.04 0.00 0.00 34.50 31.86 2crm s PRO 21 CO 0.02 -0.53 1.42 0.28 0.04 0.00 0.00 177.00 178.23 2crm n VAL 22 N -0.43 1.09 -1.62 -0.36 0.31 -0.71 -4.67 118.33 111.95 2crm n VAL 22 Ca 0.07 -0.27 -0.54 0.00 -0.01 0.00 0.00 64.34 63.59 2crm n VAL 22 Cb 0.48 -1.57 -0.06 0.00 -0.91 0.00 0.00 33.84 31.78 2crm n VAL 22 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2crm n LYS 23 N 1.87 1.05 -2.14 5.55 0.00 -1.26 -4.06 118.16 119.17 2crm n LYS 23 Ca 0.10 0.38 -0.43 0.00 0.00 0.00 0.00 58.31 58.37 2crm n LYS 23 Cb 0.33 -2.02 -0.03 0.00 0.00 0.00 0.00 35.03 33.31 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 1.21 4.14 0.42 1.64 0.04 -1.26 -4.67 135.00 136.52 2crm s PRO 24 Ca 0.88 1.96 0.08 0.00 0.04 0.00 0.00 61.00 63.96 2crm s PRO 24 Cb -1.01 -3.93 -0.01 0.00 0.04 0.00 0.00 34.50 29.59 2crm s PRO 24 CO 0.52 -0.87 0.42 -1.54 0.04 0.00 0.00 177.00 175.57 2crm s SER 25 N 3.08 5.16 0.07 6.66 1.04 -1.08 -4.80 113.70 123.83 2crm s SER 25 Ca 0.68 -0.70 -0.28 0.00 0.48 0.00 0.00 55.95 56.13 2crm s SER 25 Cb -0.29 -0.55 -0.05 0.00 0.10 0.00 0.00 66.02 65.23 2crm s SER 25 CO 0.25 -0.70 0.87 -0.69 0.98 0.00 0.00 173.24 173.95 2crm s VAL 26 N -2.46 4.65 -0.32 5.02 1.01 -1.26 -2.04 120.40 125.00 2crm s VAL 26 Ca 0.49 1.86 0.04 0.00 0.00 0.00 0.00 61.98 64.37 2crm s VAL 26 Cb -0.04 -4.23 0.09 0.00 0.00 0.00 0.00 36.38 32.20 2crm s VAL 26 CO 0.29 0.32 0.01 -0.75 0.00 0.00 0.00 175.10 174.97 2crm s LYS 27 N 0.09 1.70 0.00 2.72 2.20 -0.90 -4.94 119.74 120.62 2crm s LYS 27 Ca 0.43 -1.73 0.00 0.00 -0.36 0.00 0.00 55.97 54.32 2crm s LYS 27 Cb -0.22 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.98 2crm s LYS 27 CO 0.26 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 2crm n GLY 28 N 4.31 0.35 3.87 5.54 0.00 -1.26 -4.62 105.19 113.38 2crm n GLY 28 Ca -0.01 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.83 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 3.59 -0.45 1.61 2.20 -1.26 -5.07 119.74 120.36 2crm s LYS 29 Ca 0.00 -0.01 -0.17 0.00 -0.36 0.00 0.00 55.97 55.43 2crm s LYS 29 Cb 0.00 -3.14 0.04 0.00 -1.51 0.00 0.00 37.83 33.22 2crm s LYS 29 CO 0.00 0.70 0.43 0.42 -0.36 0.00 0.00 175.35 176.54 2crm s ILE 30 N -1.16 5.13 0.80 5.43 1.01 -1.26 -4.72 121.20 126.42 2crm s ILE 30 Ca 0.22 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 60.09 2crm s ILE 30 Cb -0.13 -4.09 0.20 0.00 0.01 0.00 0.00 42.46 38.45 2crm s ILE 30 CO 0.11 -0.51 0.68 1.41 0.00 0.00 0.00 174.94 176.63 2crm n HIS 31 N 5.48 -3.52 0.17 3.97 8.25 -0.92 -4.75 115.22 123.92 2crm n HIS 31 Ca -0.09 -0.62 -0.12 0.00 -0.26 0.00 0.00 57.72 56.63 2crm n HIS 31 Cb 0.46 -0.73 -0.06 0.00 1.12 0.00 0.00 29.99 30.78 2crm n HIS 31 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2crm h SER 32 N -2.20 -0.94 -1.47 0.41 4.64 -1.98 -3.36 113.55 108.65 2crm h SER 32 Ca -0.26 0.08 -0.46 0.00 -0.47 0.00 0.00 61.79 60.68 2crm h SER 32 Cb 0.80 0.32 -0.41 0.00 -0.31 0.00 0.00 62.40 62.80 2crm h SER 32 CO 0.17 -0.43 -1.04 0.00 -0.87 0.00 0.00 176.83 174.66 2crm n HIS 33 N -4.40 1.74 -3.27 4.77 1.44 -1.26 -4.09 115.22 110.15 2crm n HIS 33 Ca -0.07 -3.22 0.03 0.00 -2.01 0.00 0.00 57.72 52.45 2crm n HIS 33 Cb 0.30 -0.34 -0.03 0.00 0.12 0.00 0.00 29.99 30.04 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 -3.10 -0.44 -0.01 4.39 1.04 -1.26 -3.03 113.70 111.29 2crm s SER 34 Ca 0.37 0.49 -0.11 0.00 0.48 0.00 0.00 55.95 57.18 2crm s SER 34 Cb 0.40 1.46 0.01 0.00 0.10 0.00 0.00 66.02 67.99 2crm s SER 34 CO -0.06 -0.08 0.23 0.72 0.98 0.00 0.00 173.24 175.03 2crm s PHE 35 N 2.53 -0.08 -0.11 5.02 -0.12 -1.21 -2.16 117.98 121.84 2crm s PHE 35 Ca -0.01 0.11 -0.14 0.00 -0.05 0.00 0.00 56.93 56.83 2crm s PHE 35 Cb -0.06 0.03 -0.05 0.00 -0.63 0.00 0.00 43.02 42.31 2crm s PHE 35 CO -0.15 -0.32 0.35 0.15 -0.05 0.00 0.00 175.22 175.19 2crm s LYS 36 N -1.26 4.13 -0.08 1.99 1.02 -1.26 -0.96 119.74 123.32 2crm s LYS 36 Ca -0.13 0.23 0.04 0.00 0.02 0.00 0.00 55.97 56.12 2crm s LYS 36 Cb -0.06 -3.36 -0.00 0.00 -0.52 0.00 0.00 37.83 33.89 2crm s LYS 36 CO 0.03 0.37 -0.21 0.96 -0.92 0.00 0.00 175.35 175.57 2crm s ILE 37 N 0.03 1.81 -0.09 2.17 -4.36 -0.39 -2.11 121.20 118.25 2crm s ILE 37 Ca 0.20 -0.89 0.03 0.00 -0.26 0.00 0.00 60.65 59.73 2crm s ILE 37 Cb -0.14 -1.57 0.00 0.00 1.25 0.00 0.00 42.46 42.01 2crm s ILE 37 CO 0.07 0.51 -0.21 0.28 0.24 0.00 0.00 174.94 175.83 2crm s THR 38 N 0.26 1.81 -0.15 8.37 -1.32 -0.87 -2.31 115.64 121.43 2crm s THR 38 Ca -0.13 -0.87 -0.02 0.00 -1.21 0.00 0.00 61.69 59.46 2crm s THR 38 Cb -0.16 -1.58 -0.02 0.00 -1.51 0.00 0.00 72.50 69.23 2crm s THR 38 CO 0.06 0.50 -0.10 -1.66 -2.21 0.00 0.00 174.62 171.22 2crm s TRP 39 N 0.47 2.88 0.35 9.09 -2.14 -0.96 -2.63 118.94 126.00 2crm s TRP 39 Ca -0.17 -0.64 -0.27 0.00 2.66 0.00 0.00 56.10 57.69 2crm s TRP 39 Cb -0.17 -1.92 -0.09 0.00 -3.10 0.00 0.00 33.47 28.19 2crm s TRP 39 CO 0.07 -0.24 1.12 -0.51 -2.66 0.00 0.00 176.95 174.73 2crm s ASP 40 N 0.57 6.85 1.00 -2.66 1.01 -1.26 -4.86 116.67 117.33 2crm s ASP 40 Ca -0.06 2.27 -0.12 0.00 0.71 0.00 0.00 52.55 55.34 2crm s ASP 40 Cb -0.15 -2.61 0.19 0.00 1.01 0.00 0.00 42.92 41.35 2crm s ASP 40 CO 0.03 -0.44 1.09 -2.16 0.21 0.00 0.00 175.17 173.91 2crm s PRO 41 N -2.02 0.45 0.00 8.23 0.04 -1.26 -1.73 135.00 138.71 2crm s PRO 41 Ca 0.52 0.53 -0.30 0.00 0.04 0.00 0.00 61.00 61.79 2crm s PRO 41 Cb -0.30 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 2crm s PRO 41 CO 0.38 -2.72 1.45 -1.25 0.04 0.00 0.00 177.00 174.89 2crm s PRO 42 N -4.96 4.26 0.28 0.56 0.04 -1.26 -4.63 135.00 129.30 2crm s PRO 42 Ca 0.65 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.73 2crm s PRO 42 Cb -0.19 -3.61 0.69 0.00 0.04 0.00 0.00 34.50 31.44 2crm s PRO 42 CO 0.58 -0.62 1.66 0.87 0.04 0.00 0.00 177.00 179.52 2crm h LYS 43 N 8.03 0.23 -2.41 4.56 6.56 -1.94 -3.07 116.57 128.54 2crm h LYS 43 Ca -0.38 -0.01 -0.59 0.00 -1.06 0.00 0.00 60.65 58.60 2crm h LYS 43 Cb 1.18 -0.05 -0.40 0.00 -0.57 0.00 0.00 32.23 32.38 2crm h LYS 43 CO 0.91 0.15 -0.81 -0.25 -2.06 0.00 0.00 179.45 177.39 2crm n ASP 44 N -5.19 1.63 -0.25 0.86 9.92 -1.26 -4.97 116.55 117.28 2crm n ASP 44 Ca 0.21 -2.93 0.17 0.00 -0.53 0.00 0.00 54.79 51.70 2crm n ASP 44 Cb 0.66 -0.65 0.32 0.00 -0.64 0.00 0.00 41.12 40.80 2crm n ASP 44 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 2crm n ASN 45 N 1.76 0.06 0.00 -2.24 0.23 -1.16 -4.86 115.26 109.05 2crm n ASN 45 Ca 0.25 1.27 0.00 0.00 -0.53 0.00 0.00 54.58 55.57 2crm n ASN 45 Cb 0.44 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 2crm n ASN 45 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2crm n GLY 46 N -1.30 0.88 0.13 4.83 0.00 -1.26 -3.92 105.19 104.56 2crm n GLY 46 Ca 0.22 -1.24 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 -0.44 3.57 -0.02 0.00 -1.25 -4.84 105.19 102.21 2crm n GLY 47 Ca 0.00 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.53 3.22 -0.11 4.61 0.00 -0.81 -4.74 121.76 121.41 2crm s ALA 48 Ca -0.30 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 2crm s ALA 48 Cb 0.08 -3.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 2crm s ALA 48 CO 0.67 -2.09 1.09 0.99 0.00 0.00 0.00 175.76 176.41 2crm s THR 49 N 3.83 4.57 0.49 0.00 2.01 -1.26 -4.42 115.64 120.86 2crm s THR 49 Ca 0.38 1.87 -0.18 0.00 0.31 0.00 0.00 61.69 64.07 2crm s THR 49 Cb -0.10 -4.20 -0.15 0.00 0.01 0.00 0.00 72.50 68.06 2crm s THR 49 CO 0.27 -0.03 -0.11 -0.38 -0.69 0.00 0.00 174.62 173.68 2crm n ILE 50 N 4.71 0.01 0.00 1.82 2.08 -1.26 -4.72 119.36 122.00 2crm n ILE 50 Ca 0.10 -0.49 0.00 0.00 0.56 0.00 0.00 62.75 62.92 2crm n ILE 50 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.36 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 2.44 1.32 -3.83 4.38 4.13 -1.26 -5.00 115.26 117.44 2crm n ASN 51 Ca 0.08 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.22 2crm n ASN 51 Cb 0.46 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.60 2crm n ASN 51 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2crm s LYS 52 N -1.43 0.53 -0.32 3.52 2.20 -1.25 -4.76 119.74 118.23 2crm s LYS 52 Ca 0.00 -0.30 0.03 0.00 -0.36 0.00 0.00 55.97 55.34 2crm s LYS 52 Cb 0.00 0.23 0.10 0.00 -1.51 0.00 0.00 37.83 36.64 2crm s LYS 52 CO 0.00 -0.13 0.04 0.71 -0.36 0.00 0.00 175.35 175.61 2crm s TYR 53 N -1.30 3.24 0.24 4.03 2.02 -0.98 -1.65 117.35 122.96 2crm s TYR 53 Ca -0.14 -2.64 0.01 0.00 -0.37 0.00 0.00 57.07 53.93 2crm s TYR 53 Cb -0.07 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.91 2crm s TYR 53 CO 0.02 -0.92 0.42 0.08 -1.57 0.00 0.00 175.55 173.58 2crm s VAL 54 N 1.09 5.20 -0.01 0.71 1.01 -0.63 -3.52 120.40 124.25 2crm s VAL 54 Ca 0.09 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2crm s VAL 54 Cb -0.19 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 2crm s VAL 54 CO -0.11 -0.30 -0.11 -0.69 0.00 0.00 0.00 175.10 173.89 2crm s VAL 55 N -1.99 0.90 -0.06 2.92 1.01 -1.10 -1.74 120.40 120.34 2crm s VAL 55 Ca 0.38 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.88 2crm s VAL 55 Cb -0.10 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 2crm s VAL 55 CO 0.31 0.23 -0.20 -1.61 0.00 0.00 0.00 175.10 173.83 2crm s GLU 56 N -0.33 2.63 -0.00 2.72 2.02 0.60 -2.06 118.70 124.27 2crm s GLU 56 Ca 0.04 -0.81 0.04 0.00 0.02 0.00 0.00 54.97 54.27 2crm s GLU 56 Cb -0.05 -2.29 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 2crm s GLU 56 CO -0.00 0.45 -0.12 1.41 0.02 0.00 0.00 175.26 177.01 2crm s MET 57 N -0.30 2.39 0.12 1.61 1.75 -1.14 -1.08 119.30 122.65 2crm s MET 57 Ca 0.01 -0.79 0.06 0.00 -1.25 0.00 0.00 55.69 53.72 2crm s MET 57 Cb -0.13 -2.37 -0.04 0.00 2.84 0.00 0.00 34.83 35.13 2crm s MET 57 CO 0.03 0.59 -0.14 0.00 -0.65 0.00 0.00 175.02 174.84 2crm s ALA 58 N -0.90 1.49 -0.52 4.11 0.00 0.13 -3.27 121.76 122.81 2crm s ALA 58 Ca 0.15 -1.27 -0.27 0.00 0.00 0.00 0.00 51.96 50.57 2crm s ALA 58 Cb -0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 2crm s ALA 58 CO 0.05 0.12 1.88 -1.21 0.00 0.00 0.00 175.76 176.60 2crm s GLU 59 N -2.56 2.81 0.00 0.00 2.02 -1.26 -2.63 118.70 117.08 2crm s GLU 59 Ca 0.08 0.92 0.00 0.00 0.02 0.00 0.00 54.97 55.99 2crm s GLU 59 Cb -0.06 -4.34 0.00 0.00 0.10 0.00 0.00 34.13 29.83 2crm s GLU 59 CO 0.03 -2.50 0.00 0.41 0.02 0.00 0.00 175.26 173.22 2crm n GLY 60 N 5.63 1.55 0.04 -1.39 0.00 -1.19 -3.82 105.19 106.02 2crm n GLY 60 Ca 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 46.02 46.03 2crm n GLY 60 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2crm h SER 61 N 0.00 0.00 -4.09 1.61 0.87 -1.89 -3.04 113.55 107.01 2crm h SER 61 Ca 0.00 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 2crm h SER 61 Cb 0.00 0.00 0.06 0.00 -0.44 0.00 0.00 62.40 62.02 2crm h SER 61 CO 0.00 0.46 0.41 0.20 -0.53 0.00 0.00 176.83 177.37 2crm s ASN 62 N -5.01 5.91 0.00 6.23 -0.87 -1.25 -4.78 114.94 115.17 2crm s ASN 62 Ca -0.05 2.07 0.00 0.00 -1.57 0.00 0.00 52.86 53.31 2crm s ASN 62 Cb 0.01 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 2crm s ASN 62 CO 0.07 -1.08 0.00 0.61 -2.57 0.00 0.00 177.10 174.13 2crm n GLY 63 N -0.04 -1.17 3.48 0.66 0.00 -1.26 -4.61 105.19 102.25 2crm n GLY 63 Ca 0.11 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 2crm n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crm s ASN 64 N 0.00 6.89 -0.57 1.61 4.22 -1.26 -4.05 114.94 121.77 2crm s ASN 64 Ca 0.00 -2.57 0.04 0.00 -2.14 0.00 0.00 52.86 48.19 2crm s ASN 64 Cb 0.00 -2.44 0.16 0.00 1.28 0.00 0.00 41.25 40.25 2crm s ASN 64 CO 0.00 -0.94 0.38 -0.75 -2.04 0.00 0.00 177.10 173.75 2crm s LYS 65 N 2.47 1.86 -0.17 3.55 2.36 -1.26 -5.05 119.74 123.49 2crm s LYS 65 Ca 0.42 -2.74 -0.09 0.00 -2.55 0.00 0.00 55.97 51.01 2crm s LYS 65 Cb -0.02 -2.80 -0.05 0.00 -1.05 0.00 0.00 37.83 33.91 2crm s LYS 65 CO -0.02 -1.26 0.14 -1.58 1.55 0.00 0.00 175.35 174.19 2crm s TRP 66 N -0.64 3.47 -0.00 4.03 0.52 -1.25 -3.84 118.94 121.24 2crm s TRP 66 Ca 0.24 0.41 -0.17 0.00 0.02 0.00 0.00 56.10 56.59 2crm s TRP 66 Cb -0.10 -2.10 0.03 0.00 -1.15 0.00 0.00 33.47 30.15 2crm s TRP 66 CO -0.11 0.42 0.37 -2.00 0.02 0.00 0.00 176.95 175.65 2crm s GLU 67 N -0.06 0.78 0.22 4.98 2.12 -1.20 -4.92 118.70 120.61 2crm s GLU 67 Ca 0.11 -0.21 -0.32 0.00 0.36 0.00 0.00 54.97 54.91 2crm s GLU 67 Cb -0.11 0.35 -0.12 0.00 0.26 0.00 0.00 34.13 34.51 2crm s GLU 67 CO 0.00 -0.24 1.68 1.41 -0.54 0.00 0.00 175.26 177.58 2crm s MET 68 N -1.68 4.13 0.00 4.30 -2.45 -1.26 -2.89 119.30 119.44 2crm s MET 68 Ca -0.11 2.58 0.00 0.00 -1.25 0.00 0.00 55.69 56.91 2crm s MET 68 Cb -0.03 -3.07 0.00 0.00 1.25 0.00 0.00 34.83 32.98 2crm s MET 68 CO 0.03 -0.72 0.00 0.44 1.05 0.00 0.00 175.02 175.82 2crm n ILE 69 N 3.64 0.00 -3.89 10.11 -5.35 -0.88 -4.97 119.36 118.02 2crm n ILE 69 Ca 0.14 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.52 2crm n ILE 69 Cb 0.36 -0.77 -0.09 0.00 -1.74 0.00 0.00 39.64 37.40 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 -1.91 0.14 -0.11 4.28 5.04 -1.26 -5.04 117.35 118.50 2crm s TYR 70 Ca 0.00 -0.40 -0.22 0.00 -2.44 0.00 0.00 57.07 54.01 2crm s TYR 70 Cb 0.00 -0.09 0.05 0.00 0.35 0.00 0.00 41.96 42.27 2crm s TYR 70 CO 0.00 -0.39 0.53 -1.54 -1.34 0.00 0.00 175.55 172.81 2crm s SER 71 N -2.09 -0.51 0.00 4.32 1.04 -1.26 -2.70 113.70 112.50 2crm s SER 71 Ca -0.05 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.12 2crm s SER 71 Cb -0.01 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.86 2crm s SER 71 CO -0.04 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2crm n GLY 72 N 1.85 1.51 0.30 7.32 0.00 -1.23 -5.00 105.19 109.94 2crm n GLY 72 Ca -0.17 -1.50 -0.11 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.85 -0.69 4.61 0.00 -1.88 -2.59 119.26 117.86 2crm h ALA 73 Ca 0.00 -0.16 -0.48 0.00 0.00 0.00 0.00 54.91 54.27 2crm h ALA 73 Cb 0.00 0.28 0.07 0.00 0.00 0.00 0.00 17.79 18.14 2crm h ALA 73 CO 0.00 -0.80 -0.29 2.41 0.00 0.00 0.00 179.25 180.57 2crm n THR 74 N -4.76 1.13 -1.26 0.00 -1.04 -1.26 -4.67 114.28 102.42 2crm n THR 74 Ca -0.09 -0.28 -0.31 0.00 -2.04 0.00 0.00 64.05 61.33 2crm n THR 74 Cb 0.29 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 68.90 2crm n THR 74 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2crm n ARG 75 N 0.75 2.51 -3.52 -2.82 3.00 -1.26 -4.83 116.66 110.49 2crm n ARG 75 Ca 0.13 -3.09 -0.04 0.00 -0.01 0.00 0.00 57.85 54.83 2crm n ARG 75 Cb 0.15 -2.21 -0.06 0.00 0.00 0.00 0.00 32.46 30.34 2crm n ARG 75 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2crm s GLU 76 N -3.55 0.44 0.14 5.56 2.02 -1.26 -2.27 118.70 119.78 2crm s GLU 76 Ca 0.60 1.06 0.06 0.00 0.02 0.00 0.00 54.97 56.71 2crm s GLU 76 Cb 0.48 0.38 -0.04 0.00 0.10 0.00 0.00 34.13 35.05 2crm s GLU 76 CO 0.02 -0.37 -0.13 -1.58 0.02 0.00 0.00 175.26 173.23 2crm s HIS 77 N 2.72 1.38 -0.38 1.61 2.46 -0.98 -4.96 115.29 117.15 2crm s HIS 77 Ca 0.03 -0.63 -0.14 0.00 0.47 0.00 0.00 55.06 54.80 2crm s HIS 77 Cb -0.13 -0.70 0.01 0.00 -0.13 0.00 0.00 32.58 31.62 2crm s HIS 77 CO -0.16 0.15 0.27 -1.17 -2.47 0.00 0.00 174.74 171.36 2crm s LEU 78 N -2.80 4.87 -0.85 8.88 2.96 -1.26 -1.27 118.68 129.22 2crm s LEU 78 Ca 0.13 -0.74 -0.25 0.00 -0.22 0.00 0.00 54.13 53.05 2crm s LEU 78 Cb -0.02 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.55 2crm s LEU 78 CO 0.03 -0.37 1.52 0.00 -1.32 0.00 0.00 176.35 176.20 2crm s ASP 80 N 5.40 4.46 -1.17 0.00 -4.77 -1.26 -3.32 116.67 116.01 2crm s ASP 80 Ca 0.48 -0.41 -0.05 0.00 -3.30 0.00 0.00 52.55 49.27 2crm s ASP 80 Cb -0.06 -0.00 0.01 0.00 -1.09 0.00 0.00 42.92 41.78 2crm s ASP 80 CO 0.05 -1.78 1.00 0.54 0.70 0.00 0.00 175.17 175.68 2crm n ARG 81 N -2.75 -6.71 -3.00 2.11 1.74 -1.25 -4.99 116.66 101.82 2crm n ARG 81 Ca 0.15 0.76 -0.17 0.00 -0.77 0.00 0.00 57.85 57.81 2crm n ARG 81 Cb 0.61 -5.56 0.01 0.00 -1.02 0.00 0.00 32.46 26.50 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 -6.39 3.62 -0.20 0.55 1.43 -1.17 -5.09 118.68 111.44 2crm s LEU 82 Ca 0.31 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2crm s LEU 82 Cb -0.14 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.47 2crm s LEU 82 CO 0.66 -0.80 -0.12 0.21 0.23 0.00 0.00 176.35 176.52 2crm s ASN 83 N -4.37 3.69 0.28 2.29 3.84 -1.26 -4.68 114.94 114.74 2crm s ASN 83 Ca 0.55 -0.53 -0.29 0.00 0.21 0.00 0.00 52.86 52.80 2crm s ASN 83 Cb -0.10 -1.60 -0.10 0.00 -0.55 0.00 0.00 41.25 38.90 2crm s ASN 83 CO 0.33 -0.01 1.25 -2.16 -2.79 0.00 0.00 177.10 173.72 2crm s PRO 84 N 1.38 4.45 -0.51 0.43 0.04 -1.26 -3.44 135.00 136.08 2crm s PRO 84 Ca 0.05 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.12 2crm s PRO 84 Cb -0.14 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.27 2crm s PRO 84 CO -0.08 -0.09 0.30 0.41 0.04 0.00 0.00 177.00 177.58 2crm n GLY 85 N 1.32 0.34 3.58 0.56 0.00 -0.64 -4.73 105.19 105.62 2crm n GLY 85 Ca 0.01 -0.41 -0.10 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 -3.62 3.07 -0.30 0.00 0.08 -1.26 -3.50 117.98 112.44 2crm s PHE 87 Ca 0.24 0.13 -0.14 0.00 0.12 0.00 0.00 56.93 57.28 2crm s PHE 87 Cb -0.01 -2.51 0.14 0.00 -0.57 0.00 0.00 43.02 40.07 2crm s PHE 87 CO 0.12 -0.59 0.86 0.71 -0.10 0.00 0.00 175.22 176.23 2crm s TYR 88 N -2.65 -0.88 -0.15 0.36 2.02 -1.26 -3.16 117.35 111.63 2crm s TYR 88 Ca 0.52 1.59 -0.08 0.00 -0.37 0.00 0.00 57.07 58.73 2crm s TYR 88 Cb -0.10 0.53 -0.04 0.00 -0.40 0.00 0.00 41.96 41.94 2crm s TYR 88 CO 0.38 -0.44 0.12 1.03 -1.57 0.00 0.00 175.55 175.08 2crm s ARG 89 N 2.28 3.74 0.07 -0.62 1.81 -1.08 -3.44 118.95 121.70 2crm s ARG 89 Ca -0.05 -0.19 0.03 0.00 -1.72 0.00 0.00 55.73 53.80 2crm s ARG 89 Cb -0.07 -3.26 -0.03 0.00 -0.45 0.00 0.00 34.95 31.14 2crm s ARG 89 CO -0.18 0.56 -0.09 -0.51 -0.68 0.00 0.00 175.30 174.40 2crm s LEU 90 N -0.41 2.32 -0.11 2.53 1.02 -1.22 0.22 118.68 123.04 2crm s LEU 90 Ca 0.11 -0.67 -0.08 0.00 0.02 0.00 0.00 54.13 53.51 2crm s LEU 90 Cb -0.12 -0.26 0.04 0.00 0.02 0.00 0.00 46.19 45.87 2crm s LEU 90 CO 0.01 -0.22 0.29 -0.13 0.02 0.00 0.00 176.35 176.32 2crm s ARG 91 N -2.14 0.29 -0.02 1.70 0.52 -0.24 -1.09 118.95 117.97 2crm s ARG 91 Ca -0.02 0.50 0.02 0.00 -0.52 0.00 0.00 55.73 55.71 2crm s ARG 91 Cb -0.07 0.03 -0.03 0.00 0.52 0.00 0.00 34.95 35.40 2crm s ARG 91 CO 0.00 -0.10 -0.06 0.08 0.02 0.00 0.00 175.30 175.24 2crm s VAL 92 N 0.73 3.69 0.03 3.52 1.01 -1.26 -0.29 120.40 127.83 2crm s VAL 92 Ca -0.05 -0.68 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 2crm s VAL 92 Cb -0.06 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.75 2crm s VAL 92 CO -0.05 0.45 0.24 -0.72 0.00 0.00 0.00 175.10 175.03 2crm s TYR 93 N -0.95 -0.03 0.18 5.22 1.13 -0.71 -2.18 117.35 120.01 2crm s TYR 93 Ca 0.16 -0.11 0.05 0.00 -1.41 0.00 0.00 57.07 55.75 2crm s TYR 93 Cb -0.11 0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.74 2crm s TYR 93 CO 0.06 -0.44 0.21 0.00 -2.51 0.00 0.00 175.55 172.87 2crm s ILE 95 N -1.82 2.22 0.49 0.00 1.01 -0.66 -2.87 121.20 119.57 2crm s ILE 95 Ca 0.33 -3.55 0.09 0.00 0.00 0.00 0.00 60.65 57.51 2crm s ILE 95 Cb -0.10 -2.50 0.04 0.00 0.01 0.00 0.00 42.46 39.91 2crm s ILE 95 CO 0.26 -0.97 0.63 -0.44 0.00 0.00 0.00 174.94 174.42 2crm s SER 96 N -0.68 5.33 0.14 3.58 0.01 -0.90 -3.88 113.70 117.30 2crm s SER 96 Ca 0.23 -0.67 -0.24 0.00 1.31 0.00 0.00 55.95 56.58 2crm s SER 96 Cb -0.12 -0.21 -0.14 0.00 0.21 0.00 0.00 66.02 65.76 2crm s SER 96 CO -0.10 -1.00 0.50 -0.67 0.41 0.00 0.00 173.24 172.37 2crm n ASP 97 N -1.97 -0.85 0.00 2.44 2.03 -1.26 -0.44 116.55 116.50 2crm n ASP 97 Ca 0.10 0.92 0.00 0.00 0.52 0.00 0.00 54.79 56.33 2crm n ASP 97 Cb 0.61 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 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 1.56 2.01 0.00 0.27 0.00 -1.26 -4.87 105.19 102.90 2crm n GLY 98 Ca 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.89 3.93 -0.02 0.00 0.42 -5.14 105.19 103.49 2crm n GLY 99 Ca 0.00 -1.26 -0.26 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.00 3.51 0.31 1.61 0.00 -1.26 -2.12 119.66 119.71 2crm s GLN 100 Ca 0.00 -0.35 0.02 0.00 -0.00 0.00 0.00 55.36 55.03 2crm s GLN 100 Cb 0.00 -2.76 -0.03 0.00 0.00 0.00 0.00 33.01 30.21 2crm s GLN 100 CO 0.00 0.30 0.48 -1.12 0.00 0.00 0.00 175.29 174.95 2crm s SER 101 N -3.55 6.31 0.32 12.60 0.01 -1.14 -4.99 113.70 123.27 2crm s SER 101 Ca 0.39 0.34 -0.16 0.00 1.31 0.00 0.00 55.95 57.82 2crm s SER 101 Cb -0.10 -1.98 -0.12 0.00 0.21 0.00 0.00 66.02 64.03 2crm s SER 101 CO 0.31 -0.21 0.05 0.00 0.41 0.00 0.00 173.24 173.80 2crm n ALA 102 N -1.61 -2.64 -1.90 1.44 0.00 -1.26 -4.64 120.51 109.90 2crm n ALA 102 Ca -0.06 0.07 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 2crm n ALA 102 Cb 0.56 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.34 3.26 0.70 0.00 -7.23 -1.26 -4.68 120.40 109.85 2crm s VAL 103 Ca 0.46 1.15 -0.14 0.00 -1.81 0.00 0.00 61.98 61.64 2crm s VAL 103 Cb -0.48 -3.73 0.02 0.00 0.56 0.00 0.00 36.38 32.75 2crm s VAL 103 CO 0.49 0.23 1.11 -0.94 -0.31 0.00 0.00 175.10 175.68 2crm s SER 104 N -0.22 4.82 0.71 4.85 1.04 -0.93 -4.95 113.70 119.02 2crm s SER 104 Ca 0.51 1.99 -0.17 0.00 0.48 0.00 0.00 55.95 58.75 2crm s SER 104 Cb -0.35 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.10 2crm s SER 104 CO 0.42 -1.83 -0.17 -0.62 0.98 0.00 0.00 173.24 172.02 2crm n GLU 105 N -2.78 0.07 -2.64 4.02 1.02 -1.26 -4.46 120.64 114.61 2crm n GLU 105 Ca 0.10 0.03 -0.39 0.00 -0.02 0.00 0.00 57.16 56.88 2crm n GLU 105 Cb 0.52 -1.21 -0.05 0.00 -0.02 0.00 0.00 31.44 30.68 2crm n GLU 105 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2crm s SER 106 N -1.13 7.36 -0.40 1.62 0.15 -1.26 -4.65 113.70 115.40 2crm s SER 106 Ca 0.54 2.05 -0.10 0.00 0.70 0.00 0.00 55.95 59.13 2crm s SER 106 Cb -0.36 -2.61 0.05 0.00 -1.71 0.00 0.00 66.02 61.39 2crm s SER 106 CO 0.69 -0.06 0.24 -0.22 1.20 0.00 0.00 173.24 175.09 2crm s LEU 107 N -1.60 4.95 -0.35 3.45 2.96 -0.25 -4.88 118.68 122.96 2crm s LEU 107 Ca 0.46 -1.26 -0.25 0.00 -0.22 0.00 0.00 54.13 52.86 2crm s LEU 107 Cb -0.26 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.43 2crm s LEU 107 CO 0.33 -0.47 0.88 -0.22 -1.32 0.00 0.00 176.35 175.55 2crm s LEU 108 N 1.49 4.04 -0.17 -0.68 2.96 -1.26 -3.37 118.68 121.69 2crm s LEU 108 Ca 0.02 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 2crm s LEU 108 Cb -0.21 -3.20 0.03 0.00 0.50 0.00 0.00 46.19 43.31 2crm s LEU 108 CO 0.04 -0.77 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.50 2crm s VAL 109 N 3.29 1.55 -0.36 1.68 1.01 -1.22 -5.04 120.40 121.30 2crm s VAL 109 Ca 0.36 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 2crm s VAL 109 Cb -0.13 -1.56 0.00 0.00 0.00 0.00 0.00 36.38 34.69 2crm s VAL 109 CO 0.16 0.29 0.63 -1.58 0.00 0.00 0.00 175.10 174.60 2crm s GLN 110 N 1.46 3.64 0.28 2.72 0.74 -1.26 -4.05 119.66 123.18 2crm s GLN 110 Ca 0.02 0.00 -0.29 0.00 0.05 0.00 0.00 55.36 55.14 2crm s GLN 110 Cb -0.15 -3.82 -0.09 0.00 1.10 0.00 0.00 33.01 30.05 2crm s GLN 110 CO -0.09 -0.76 1.00 0.95 -0.55 0.00 0.00 175.29 175.84 2crm s THR 111 N 2.70 3.88 -0.28 -0.34 -4.23 -1.23 -4.98 115.64 111.17 2crm s THR 111 Ca 0.24 1.80 -0.29 0.00 -1.18 0.00 0.00 61.69 62.26 2crm s THR 111 Cb -0.14 -4.11 -0.02 0.00 1.34 0.00 0.00 72.50 69.57 2crm s THR 111 CO 0.15 0.36 1.64 -2.16 -0.54 0.00 0.00 174.62 174.08 2crm s PRO 112 N -1.50 3.63 0.07 3.99 0.04 -1.26 -1.62 135.00 138.35 2crm s PRO 112 Ca 0.45 1.51 -0.31 0.00 0.04 0.00 0.00 61.00 62.69 2crm s PRO 112 Cb -0.26 -4.08 -0.09 0.00 0.04 0.00 0.00 34.50 30.10 2crm s PRO 112 CO 0.33 -1.49 1.82 0.00 0.04 0.00 0.00 177.00 177.70 2crm s ALA 113 N 5.72 3.68 -0.16 8.56 0.00 -1.26 -4.30 121.76 134.00 2crm s ALA 113 Ca 0.73 1.32 -0.00 0.00 0.00 0.00 0.00 51.96 54.00 2crm s ALA 113 Cb -0.23 -3.77 0.12 0.00 0.00 0.00 0.00 23.12 19.24 2crm s ALA 113 CO 0.31 -1.32 1.92 1.33 0.00 0.00 0.00 175.76 178.00 2crm n VAL 114 N 5.04 2.31 -3.65 0.00 0.24 -1.26 -4.80 118.33 116.21 2crm n VAL 114 Ca 0.18 -1.04 -0.15 0.00 -2.04 0.00 0.00 64.34 61.29 2crm n VAL 114 Cb 0.40 -1.35 -0.08 0.00 -1.47 0.00 0.00 33.84 31.34 2crm n VAL 114 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2crm s SER 115 N 0.98 -0.47 0.00 -1.34 0.01 -1.26 -5.14 113.70 106.47 2crm s SER 115 Ca 0.16 0.63 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2crm s SER 115 Cb 0.13 0.64 0.00 0.00 0.21 0.00 0.00 66.02 67.00 2crm s SER 115 CO 0.00 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.84 2crm n GLY 116 N 1.63 1.11 3.74 3.44 0.00 -1.26 -5.04 105.19 108.81 2crm n GLY 116 Ca -0.18 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 2crm n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2crm s PRO 117 N -4.14 1.73 -0.53 1.61 0.04 -1.26 -4.78 135.00 127.67 2crm s PRO 117 Ca 0.00 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 61.73 2crm s PRO 117 Cb 0.00 -1.85 -0.15 0.00 0.04 0.00 0.00 34.50 32.54 2crm s PRO 117 CO 0.00 -1.96 1.81 0.45 0.04 0.00 0.00 177.00 177.33 2crm n SER 118 N -3.72 0.44 -4.28 6.66 2.88 -1.26 -4.85 113.62 109.50 2crm n SER 118 Ca 0.08 0.38 -0.39 0.00 -1.33 0.00 0.00 58.87 57.60 2crm n SER 118 Cb 0.54 -0.70 -0.11 0.00 -0.75 0.00 0.00 64.21 63.20 2crm n SER 118 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2crm s SER 119 N 5.48 5.54 0.00 -3.46 0.15 -1.26 -5.30 113.70 114.85 2crm s SER 119 Ca 0.97 -1.36 0.31 0.00 0.70 0.00 0.00 55.95 56.56 2crm s SER 119 Cb -1.08 -1.95 1.82 0.00 -1.71 0.00 0.00 66.02 63.10 2crm s SER 119 CO 0.46 -0.46 2.15 0.61 1.20 0.00 0.00 173.24 177.20