#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crm n SER 2 N 0.00 -1.16 -4.39 1.61 3.41 -1.26 -4.85 113.62 106.98 2crm n SER 2 Ca 0.00 -1.24 -0.31 0.00 -0.26 0.00 0.00 58.87 57.06 2crm n SER 2 Cb 0.00 -1.57 0.20 0.00 -0.26 0.00 0.00 64.21 62.58 2crm n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2crm n SER 3 N -2.51 -1.94 0.00 4.04 7.64 -1.26 -5.00 113.62 114.59 2crm n SER 3 Ca 0.02 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2crm n SER 3 Cb 0.50 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 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 1.48 0.64 2.38 0.23 0.00 -1.26 -5.07 105.19 103.59 2crm n GLY 4 Ca 0.03 0.26 -0.16 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 3.60 -0.22 1.61 2.88 -1.26 -4.89 113.62 115.34 2crm n SER 5 Ca 0.00 -3.14 -0.01 0.00 -1.33 0.00 0.00 58.87 54.40 2crm n SER 5 Cb 0.00 -0.41 0.06 0.00 -0.75 0.00 0.00 64.21 63.11 2crm n SER 5 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2crm h SER 6 N 2.43 -0.64 0.00 -3.46 4.64 -2.04 -3.47 113.55 111.01 2crm h SER 6 Ca 0.17 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2crm h SER 6 Cb 1.35 0.41 0.00 0.00 -0.31 0.00 0.00 62.40 63.85 2crm h SER 6 CO 0.58 -0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.92 2crm n GLY 7 N -1.44 2.74 3.20 -0.77 0.00 -1.26 -5.14 105.19 102.52 2crm n GLY 7 Ca 0.08 -1.19 -0.11 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.08 -1.29 1.61 0.11 -1.26 -4.93 120.40 114.56 2crm s VAL 8 Ca 0.00 0.12 -0.04 0.00 -2.93 0.00 0.00 61.98 59.13 2crm s VAL 8 Cb 0.00 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.31 2crm s VAL 8 CO 0.00 0.05 0.07 0.52 -3.33 0.00 0.00 175.10 172.41 2crm n VAL 9 N 4.37 -1.01 -3.66 2.04 0.31 -1.26 -4.91 118.33 114.21 2crm n VAL 9 Ca -0.22 -0.44 -0.14 0.00 -0.01 0.00 0.00 64.34 63.53 2crm n VAL 9 Cb 0.54 -0.97 -0.14 0.00 -0.91 0.00 0.00 33.84 32.36 2crm n VAL 9 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2crm s GLU 10 N -6.80 0.12 -0.15 5.55 2.02 -1.26 -5.13 118.70 113.06 2crm s GLU 10 Ca 0.05 0.69 -0.04 0.00 0.02 0.00 0.00 54.97 55.69 2crm s GLU 10 Cb -0.03 -0.13 0.06 0.00 0.10 0.00 0.00 34.13 34.13 2crm s GLU 10 CO 0.85 -0.30 0.10 -0.06 0.02 0.00 0.00 175.26 175.87 2crm s PHE 11 N 2.39 0.11 -0.02 1.61 0.08 -1.26 -5.08 117.98 115.81 2crm s PHE 11 Ca 0.02 -0.14 0.00 0.00 0.12 0.00 0.00 56.93 56.93 2crm s PHE 11 Cb -0.12 -0.61 0.02 0.00 -0.57 0.00 0.00 43.02 41.74 2crm s PHE 11 CO -0.08 -0.47 0.01 -0.08 -0.10 0.00 0.00 175.22 174.51 2crm s THR 12 N 2.17 0.02 -0.18 0.64 -1.32 -1.26 -5.13 115.64 110.58 2crm s THR 12 Ca 0.03 0.12 -0.05 0.00 -1.21 0.00 0.00 61.69 60.58 2crm s THR 12 Cb -0.15 -0.11 0.07 0.00 -1.51 0.00 0.00 72.50 70.80 2crm s THR 12 CO -0.08 0.08 0.12 0.42 -2.21 0.00 0.00 174.62 172.94 2crm s THR 13 N 0.74 -0.14 0.04 5.08 -4.23 -1.26 -5.05 115.64 110.82 2crm s THR 13 Ca -0.06 -0.17 -0.33 0.00 -1.18 0.00 0.00 61.69 59.95 2crm s THR 13 Cb -0.09 -0.61 -0.18 0.00 1.34 0.00 0.00 72.50 72.96 2crm s THR 13 CO -0.02 -0.28 1.37 0.00 -0.54 0.00 0.00 174.62 175.16 2crm n PRO 15 N -5.56 -1.28 -3.71 0.00 -0.04 -1.26 -5.07 135.00 118.08 2crm n PRO 15 Ca -0.15 -0.20 -0.21 0.00 -0.04 0.00 0.00 63.50 62.90 2crm n PRO 15 Cb 0.47 -0.19 -0.03 0.00 -0.04 0.00 0.00 33.50 33.71 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 -1.85 5.34 0.32 3.54 2.15 -1.26 -4.92 116.67 119.98 2crm s ASP 16 Ca 0.08 -0.49 -0.28 0.00 0.43 0.00 0.00 52.55 52.29 2crm s ASP 16 Cb -0.01 -0.93 -0.09 0.00 -0.30 0.00 0.00 42.92 41.58 2crm s ASP 16 CO 0.06 -0.42 1.10 -0.54 -0.17 0.00 0.00 175.17 175.20 2crm s LYS 17 N -4.05 4.47 1.01 4.34 -0.14 -1.26 -1.92 119.74 122.19 2crm s LYS 17 Ca 0.43 1.74 -0.12 0.00 -1.36 0.00 0.00 55.97 56.66 2crm s LYS 17 Cb -0.06 -2.98 0.19 0.00 -1.68 0.00 0.00 37.83 33.30 2crm s LYS 17 CO 0.27 0.07 1.09 -1.25 -0.76 0.00 0.00 175.35 174.78 2crm s PRO 18 N -1.78 0.35 0.11 -1.68 0.04 -1.26 -4.40 135.00 126.39 2crm s PRO 18 Ca 0.49 0.49 0.08 0.00 0.04 0.00 0.00 61.00 62.10 2crm s PRO 18 Cb -0.30 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2crm s PRO 18 CO 0.38 -2.78 -0.15 0.20 0.04 0.00 0.00 177.00 174.69 2crm s GLY 19 N -3.46 1.73 0.13 0.56 0.00 -1.26 -4.93 107.32 100.08 2crm s GLY 19 Ca 0.65 -1.32 -0.35 0.00 0.00 0.00 0.00 44.72 43.70 2crm s GLY 19 CO 0.58 -1.30 1.48 1.39 0.00 0.00 0.00 173.10 175.24 2crm n ILE 20 N 0.74 0.00 -1.18 0.90 5.41 -1.26 -4.92 119.36 119.05 2crm n ILE 20 Ca -0.15 -0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.31 2crm n ILE 20 Cb 0.53 -1.23 0.16 0.00 -0.71 0.00 0.00 39.64 38.39 2crm n ILE 20 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2crm s PRO 21 N 0.75 0.78 0.19 0.38 0.04 -1.26 -4.83 135.00 131.05 2crm s PRO 21 Ca 0.81 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 62.21 2crm s PRO 21 Cb -0.80 -1.77 -0.08 0.00 0.04 0.00 0.00 34.50 31.90 2crm s PRO 21 CO 0.42 -2.53 1.08 0.08 0.04 0.00 0.00 177.00 176.09 2crm s VAL 22 N -2.95 3.88 0.13 -0.36 1.01 -1.13 -4.67 120.40 116.32 2crm s VAL 22 Ca 0.64 1.66 -0.35 0.00 0.00 0.00 0.00 61.98 63.94 2crm s VAL 22 Cb -0.18 -4.06 -0.16 0.00 0.00 0.00 0.00 36.38 31.98 2crm s VAL 22 CO 0.57 0.30 1.28 1.17 0.00 0.00 0.00 175.10 178.42 2crm n LYS 23 N 2.23 1.25 -2.19 2.72 0.00 -1.26 -4.09 118.16 116.81 2crm n LYS 23 Ca 0.02 0.45 -0.42 0.00 0.00 0.00 0.00 58.31 58.36 2crm n LYS 23 Cb 0.46 -2.04 -0.03 0.00 0.00 0.00 0.00 35.03 33.43 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 0.09 4.30 0.24 1.64 0.04 -1.26 -4.52 135.00 135.52 2crm s PRO 24 Ca 0.78 2.03 0.12 0.00 0.04 0.00 0.00 61.00 63.97 2crm s PRO 24 Cb -0.88 -3.42 -0.05 0.00 0.04 0.00 0.00 34.50 30.19 2crm s PRO 24 CO 0.49 -0.51 -0.21 -1.12 0.04 0.00 0.00 177.00 175.68 2crm s SER 25 N 1.54 3.55 0.15 6.66 0.01 -0.43 -4.76 113.70 120.42 2crm s SER 25 Ca 0.65 -0.93 -0.30 0.00 1.31 0.00 0.00 55.95 56.67 2crm s SER 25 Cb -0.34 -0.30 -0.07 0.00 0.21 0.00 0.00 66.02 65.52 2crm s SER 25 CO 0.29 0.08 0.98 -0.69 0.41 0.00 0.00 173.24 174.31 2crm s VAL 26 N -2.08 4.30 -0.36 3.43 1.01 -1.26 -1.03 120.40 124.40 2crm s VAL 26 Ca 0.25 2.00 -0.07 0.00 0.00 0.00 0.00 61.98 64.16 2crm s VAL 26 Cb -0.07 -4.28 0.05 0.00 0.00 0.00 0.00 36.38 32.08 2crm s VAL 26 CO 0.13 0.35 0.15 -0.75 0.00 0.00 0.00 175.10 174.97 2crm s LYS 27 N -0.34 2.62 0.00 2.72 2.20 -1.16 -4.96 119.74 120.83 2crm s LYS 27 Ca 0.46 -1.24 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 2crm s LYS 27 Cb -0.25 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 2crm s LYS 27 CO 0.31 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 2crm n GLY 28 N 4.84 0.93 3.70 5.54 0.00 -1.26 -4.82 105.19 114.12 2crm n GLY 28 Ca -0.12 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 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 2.64 -0.23 1.61 2.36 -1.26 -5.10 119.74 119.76 2crm s LYS 29 Ca 0.00 -0.77 -0.17 0.00 -2.55 0.00 0.00 55.97 52.48 2crm s LYS 29 Cb 0.00 -2.59 -0.03 0.00 -1.05 0.00 0.00 37.83 34.15 2crm s LYS 29 CO 0.00 0.56 0.45 0.42 1.55 0.00 0.00 175.35 178.33 2crm s ILE 30 N -1.28 5.14 0.49 5.43 1.01 -1.26 -4.90 121.20 125.83 2crm s ILE 30 Ca 0.25 0.79 -0.08 0.00 0.00 0.00 0.00 60.65 61.61 2crm s ILE 30 Cb -0.12 -3.78 0.11 0.00 0.01 0.00 0.00 42.46 38.69 2crm s ILE 30 CO 0.17 0.17 0.66 1.41 0.00 0.00 0.00 174.94 177.35 2crm n HIS 31 N 4.99 -3.97 0.07 3.97 8.25 -1.09 -4.81 115.22 122.64 2crm n HIS 31 Ca -0.06 -0.58 -0.05 0.00 -0.26 0.00 0.00 57.72 56.77 2crm n HIS 31 Cb 0.50 -0.51 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.38 -1.88 0.41 0.02 -1.98 -3.38 113.55 105.43 2crm h SER 32 Ca -0.21 0.03 -0.50 0.00 -0.84 0.00 0.00 61.79 60.27 2crm h SER 32 Cb 0.59 0.13 -0.41 0.00 0.14 0.00 0.00 62.40 62.85 2crm h SER 32 CO 0.15 -0.18 -1.03 0.00 -1.14 0.00 0.00 176.83 174.63 2crm n HIS 33 N -3.15 1.49 -3.49 3.45 1.44 -1.26 -4.15 115.22 109.55 2crm n HIS 33 Ca -0.03 -3.66 0.02 0.00 -2.01 0.00 0.00 57.72 52.04 2crm n HIS 33 Cb 0.12 -0.41 -0.05 0.00 0.12 0.00 0.00 29.99 29.77 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 -2.87 -0.25 -0.03 4.39 1.04 -1.26 -3.49 113.70 111.24 2crm s SER 34 Ca 0.41 0.37 -0.26 0.00 0.48 0.00 0.00 55.95 56.95 2crm s SER 34 Cb 0.35 1.19 0.06 0.00 0.10 0.00 0.00 66.02 67.72 2crm s SER 34 CO -0.08 -0.06 0.57 0.72 0.98 0.00 0.00 173.24 175.37 2crm s PHE 35 N 1.61 -0.51 -0.18 5.02 -0.12 -1.19 -2.67 117.98 119.94 2crm s PHE 35 Ca -0.05 0.83 -0.08 0.00 -0.05 0.00 0.00 56.93 57.58 2crm s PHE 35 Cb -0.03 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 2crm s PHE 35 CO -0.14 -0.56 0.08 0.15 -0.05 0.00 0.00 175.22 174.70 2crm s LYS 36 N -1.39 3.95 -0.14 1.99 1.02 -1.26 -0.11 119.74 123.81 2crm s LYS 36 Ca -0.11 -0.31 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 2crm s LYS 36 Cb -0.01 -3.24 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 2crm s LYS 36 CO 0.07 0.33 -0.12 0.96 -0.92 0.00 0.00 175.35 175.66 2crm s ILE 37 N 0.23 3.07 -0.06 2.17 -4.36 0.02 -2.97 121.20 119.30 2crm s ILE 37 Ca 0.05 -0.65 0.05 0.00 -0.26 0.00 0.00 60.65 59.84 2crm s ILE 37 Cb -0.12 -2.30 -0.00 0.00 1.25 0.00 0.00 42.46 41.29 2crm s ILE 37 CO -0.00 0.52 -0.21 0.28 0.24 0.00 0.00 174.94 175.77 2crm s THR 38 N 0.47 1.74 -0.17 8.37 -1.32 -0.20 -2.11 115.64 122.41 2crm s THR 38 Ca -0.09 -0.87 -0.03 0.00 -1.21 0.00 0.00 61.69 59.49 2crm s THR 38 Cb -0.16 -1.49 -0.02 0.00 -1.51 0.00 0.00 72.50 69.32 2crm s THR 38 CO 0.04 0.49 -0.05 -1.66 -2.21 0.00 0.00 174.62 171.23 2crm s TRP 39 N 0.09 2.97 0.77 9.09 -2.14 -1.13 -1.32 118.94 127.27 2crm s TRP 39 Ca -0.08 -0.54 -0.13 0.00 2.66 0.00 0.00 56.10 58.02 2crm s TRP 39 Cb -0.14 -1.99 0.06 0.00 -3.10 0.00 0.00 33.47 28.30 2crm s TRP 39 CO 0.04 -0.22 1.15 -0.51 -2.66 0.00 0.00 176.95 174.74 2crm s ASP 40 N 0.73 4.15 0.75 -2.66 1.11 -1.26 -4.80 116.67 114.70 2crm s ASP 40 Ca -0.02 2.12 -0.11 0.00 0.18 0.00 0.00 52.55 54.72 2crm s ASP 40 Cb -0.15 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.33 2crm s ASP 40 CO 0.02 -2.28 1.09 -2.16 1.18 0.00 0.00 175.17 173.02 2crm s PRO 41 N -4.35 2.36 0.85 8.23 0.04 -1.26 -2.83 135.00 138.04 2crm s PRO 41 Ca 0.68 1.21 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 2crm s PRO 41 Cb -0.23 -1.91 0.10 0.00 0.04 0.00 0.00 34.50 32.50 2crm s PRO 41 CO 0.50 -1.56 1.09 -1.25 0.04 0.00 0.00 177.00 175.82 2crm s PRO 42 N -4.75 1.62 0.20 0.56 0.04 -1.26 -4.59 135.00 126.82 2crm s PRO 42 Ca 0.62 0.95 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 2crm s PRO 42 Cb -0.18 -1.84 0.22 0.00 0.04 0.00 0.00 34.50 32.75 2crm s PRO 42 CO 0.53 -2.03 1.66 -0.22 0.04 0.00 0.00 177.00 176.98 2crm h LYS 43 N -1.40 0.06 -0.35 4.56 1.63 -1.95 -3.42 116.57 115.69 2crm h LYS 43 Ca -0.47 -0.00 0.24 0.00 -0.85 0.00 0.00 60.65 59.56 2crm h LYS 43 Cb 1.26 -0.01 -0.22 0.00 -0.60 0.00 0.00 32.23 32.66 2crm h LYS 43 CO 0.53 0.04 0.23 0.34 -3.45 0.00 0.00 179.45 177.14 2crm s ASP 44 N -5.23 -0.36 -0.95 4.20 2.15 -1.26 -5.08 116.67 110.14 2crm s ASP 44 Ca -0.14 0.30 -0.22 0.00 0.43 0.00 0.00 52.55 52.92 2crm s ASP 44 Cb 0.18 1.33 -0.25 0.00 -0.30 0.00 0.00 42.92 43.88 2crm s ASP 44 CO 0.73 -0.07 2.46 -0.46 -0.17 0.00 0.00 175.17 177.66 2crm n ASN 45 N 5.27 -0.09 -0.24 -0.34 0.23 -1.26 -4.70 115.26 114.13 2crm n ASN 45 Ca -0.08 -0.24 0.19 0.00 -0.53 0.00 0.00 54.58 53.92 2crm n ASN 45 Cb 0.54 -0.88 0.36 0.00 -2.08 0.00 0.00 39.78 37.72 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 6.12 -0.68 0.00 4.83 0.00 -1.26 -4.48 105.19 109.71 2crm n GLY 46 Ca 0.63 0.62 0.00 0.00 0.00 0.00 0.00 46.02 47.27 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 -1.24 0.09 3.57 -0.02 0.00 -1.25 -4.60 105.19 101.74 2crm n GLY 47 Ca 0.24 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.00 2.90 0.00 4.61 0.00 -0.81 -4.58 121.76 122.90 2crm s ALA 48 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 2crm s ALA 48 Cb 0.00 -4.12 -0.08 0.00 0.00 0.00 0.00 23.12 18.92 2crm s ALA 48 CO 0.00 -2.90 1.87 0.99 0.00 0.00 0.00 175.76 175.72 2crm s THR 49 N 5.27 3.20 0.38 0.00 2.01 -1.26 -4.74 115.64 120.50 2crm s THR 49 Ca 0.40 0.24 -0.13 0.00 0.31 0.00 0.00 61.69 62.52 2crm s THR 49 Cb -0.08 -3.16 -0.10 0.00 0.01 0.00 0.00 72.50 69.17 2crm s THR 49 CO 0.22 -0.02 -0.13 -0.38 -0.69 0.00 0.00 174.62 173.62 2crm n ILE 50 N 5.57 0.00 0.00 1.82 2.08 -1.26 -4.65 119.36 122.92 2crm n ILE 50 Ca 0.19 -0.35 0.00 0.00 0.56 0.00 0.00 62.75 63.15 2crm n ILE 50 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.31 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 1.81 1.62 -3.73 4.38 4.13 -1.26 -4.96 115.26 117.25 2crm n ASN 51 Ca 0.05 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.19 2crm n ASN 51 Cb 0.33 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.46 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 -1.57 0.38 -0.61 3.52 2.20 -1.26 -4.83 119.74 117.57 2crm s LYS 52 Ca 0.00 0.60 -0.05 0.00 -0.36 0.00 0.00 55.97 56.16 2crm s LYS 52 Cb 0.00 0.08 0.16 0.00 -1.51 0.00 0.00 37.83 36.56 2crm s LYS 52 CO 0.00 -0.10 0.44 0.71 -0.36 0.00 0.00 175.35 176.04 2crm s TYR 53 N 0.75 3.47 0.17 4.03 2.02 -0.77 -2.09 117.35 124.93 2crm s TYR 53 Ca -0.05 -2.54 0.03 0.00 -0.37 0.00 0.00 57.07 54.15 2crm s TYR 53 Cb -0.06 -3.30 -0.03 0.00 -0.40 0.00 0.00 41.96 38.17 2crm s TYR 53 CO -0.05 -0.88 0.29 0.54 -1.57 0.00 0.00 175.55 173.87 2crm s VAL 54 N 0.20 5.25 0.06 0.71 0.11 -1.05 -3.96 120.40 121.72 2crm s VAL 54 Ca 0.15 -0.79 0.06 0.00 -2.93 0.00 0.00 61.98 58.47 2crm s VAL 54 Cb -0.20 -3.74 -0.03 0.00 -1.53 0.00 0.00 36.38 30.89 2crm s VAL 54 CO -0.04 -0.15 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.73 2crm s VAL 55 N -1.80 1.28 0.45 2.04 1.01 -0.89 -1.76 120.40 120.73 2crm s VAL 55 Ca 0.34 -1.20 0.08 0.00 0.00 0.00 0.00 61.98 61.20 2crm s VAL 55 Cb -0.10 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.12 2crm s VAL 55 CO 0.28 -0.05 0.55 -1.61 0.00 0.00 0.00 175.10 174.27 2crm s GLU 56 N -1.45 2.63 -0.27 2.72 8.01 0.84 -3.19 118.70 127.98 2crm s GLU 56 Ca 0.02 -1.43 -0.19 0.00 0.01 0.00 0.00 54.97 53.39 2crm s GLU 56 Cb -0.09 -2.60 0.08 0.00 -4.31 0.00 0.00 34.13 27.20 2crm s GLU 56 CO 0.02 -0.37 0.69 1.41 0.01 0.00 0.00 175.26 177.02 2crm s MET 57 N -4.34 0.74 0.19 1.61 1.75 -1.21 -3.41 119.30 114.63 2crm s MET 57 Ca 0.53 1.15 0.05 0.00 -1.25 0.00 0.00 55.69 56.17 2crm s MET 57 Cb -0.07 0.22 -0.05 0.00 2.84 0.00 0.00 34.83 37.77 2crm s MET 57 CO 0.32 -0.13 -0.09 0.00 -0.65 0.00 0.00 175.02 174.46 2crm s ALA 58 N 1.25 1.73 -0.52 4.11 0.00 -0.92 -3.31 121.76 124.10 2crm s ALA 58 Ca -0.07 -1.62 -0.27 0.00 0.00 0.00 0.00 51.96 50.00 2crm s ALA 58 Cb -0.05 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2crm s ALA 58 CO -0.13 -0.08 1.95 -1.21 0.00 0.00 0.00 175.76 176.29 2crm s GLU 59 N -3.74 2.69 0.52 0.00 2.02 -1.26 -3.42 118.70 115.50 2crm s GLU 59 Ca 0.21 0.95 0.00 0.00 0.02 0.00 0.00 54.97 56.15 2crm s GLU 59 Cb 0.02 -4.38 0.00 0.00 0.10 0.00 0.00 34.13 29.87 2crm s GLU 59 CO 0.05 -2.64 0.00 0.41 0.02 0.00 0.00 175.26 173.10 2crm n GLY 60 N 5.70 -0.41 0.36 -1.39 0.00 -1.17 -3.69 105.19 104.59 2crm n GLY 60 Ca 0.24 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 2crm n GLY 60 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2crm h SER 61 N -0.13 -1.23 -0.73 1.61 0.02 -1.87 -3.34 113.55 107.87 2crm h SER 61 Ca 0.00 0.21 -0.15 0.00 -0.84 0.00 0.00 61.79 61.01 2crm h SER 61 Cb 0.13 0.56 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 2crm h SER 61 CO 0.00 -0.34 0.50 0.20 -1.14 0.00 0.00 176.83 176.06 2crm s ASN 62 N -5.08 4.14 0.05 3.07 0.01 -1.24 -4.90 114.94 110.99 2crm s ASN 62 Ca -0.15 0.26 0.06 0.00 -0.71 0.00 0.00 52.86 52.32 2crm s ASN 62 Cb 0.13 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 2crm s ASN 62 CO 0.67 -3.52 -0.12 -0.83 -1.51 0.00 0.00 177.10 171.78 2crm s GLY 63 N 10.94 1.69 -0.01 0.66 0.00 -1.25 -4.49 107.32 114.86 2crm s GLY 63 Ca 0.92 -1.16 -0.00 0.00 0.00 0.00 0.00 44.72 44.47 2crm s GLY 63 CO 0.12 -1.07 -0.01 0.70 0.00 0.00 0.00 173.10 172.84 2crm n ASN 64 N 1.28 1.47 -3.78 1.64 3.02 -1.26 -5.06 115.26 112.58 2crm n ASN 64 Ca -0.15 0.01 -0.14 0.00 -0.03 0.00 0.00 54.58 54.26 2crm n ASN 64 Cb 0.52 -0.02 -0.15 0.00 -0.61 0.00 0.00 39.78 39.52 2crm n ASN 64 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2crm s LYS 65 N -2.02 0.00 0.65 3.52 2.47 -1.26 -5.15 119.74 117.95 2crm s LYS 65 Ca -0.01 0.21 -0.11 0.00 -1.56 0.00 0.00 55.97 54.50 2crm s LYS 65 Cb 0.00 -0.19 -0.02 0.00 -1.46 0.00 0.00 37.83 36.16 2crm s LYS 65 CO 0.02 -0.14 1.04 -1.58 0.16 0.00 0.00 175.35 174.84 2crm s TRP 66 N 0.94 3.39 -0.11 4.03 0.52 -1.26 -4.82 118.94 121.63 2crm s TRP 66 Ca -0.08 1.36 -0.05 0.00 0.02 0.00 0.00 56.10 57.35 2crm s TRP 66 Cb -0.11 -2.80 0.05 0.00 -1.15 0.00 0.00 33.47 29.46 2crm s TRP 66 CO -0.03 -0.91 0.24 -2.00 0.02 0.00 0.00 176.95 174.27 2crm s GLU 67 N -5.04 0.18 0.26 4.98 2.12 -1.21 -4.96 118.70 115.03 2crm s GLU 67 Ca 0.57 0.57 -0.30 0.00 0.36 0.00 0.00 54.97 56.16 2crm s GLU 67 Cb -0.12 -0.11 -0.13 0.00 0.26 0.00 0.00 34.13 34.02 2crm s GLU 67 CO 0.53 -0.19 1.36 -0.12 -0.54 0.00 0.00 175.26 176.30 2crm n MET 68 N 4.49 1.99 0.00 4.30 0.00 -1.26 -3.30 117.12 123.34 2crm n MET 68 Ca -0.21 0.71 0.00 0.00 -0.00 0.00 0.00 57.70 58.20 2crm n MET 68 Cb 0.52 -2.33 0.00 0.00 0.00 0.00 0.00 33.22 31.41 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 1.51 0.00 -3.77 1.12 -5.35 -1.19 -4.98 119.36 106.71 2crm n ILE 69 Ca 0.10 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.46 2crm n ILE 69 Cb 0.32 -0.51 -0.11 0.00 -1.74 0.00 0.00 39.64 37.60 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 -1.64 -0.32 -0.10 4.28 6.14 -1.25 -5.05 117.35 119.39 2crm s TYR 70 Ca 0.00 0.78 -0.15 0.00 0.64 0.00 0.00 57.07 58.34 2crm s TYR 70 Cb 0.00 0.11 0.04 0.00 0.42 0.00 0.00 41.96 42.52 2crm s TYR 70 CO 0.00 -0.17 0.39 -1.54 0.64 0.00 0.00 175.55 174.87 2crm s SER 71 N 0.35 -0.37 0.00 4.32 1.04 -1.26 -2.09 113.70 115.69 2crm s SER 71 Ca -0.02 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.01 2crm s SER 71 Cb -0.03 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.74 2crm s SER 71 CO -0.01 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2crm n GLY 72 N 2.27 -0.63 2.48 7.32 0.00 -1.25 -5.01 105.19 110.37 2crm n GLY 72 Ca -0.16 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 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 3.31 -3.53 4.61 0.00 -1.26 -1.84 120.51 121.80 2crm n ALA 73 Ca 0.00 -4.06 -0.00 0.00 0.00 0.00 0.00 53.44 49.37 2crm n ALA 73 Cb 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 2crm n ALA 73 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2crm s THR 74 N -2.96 -0.55 -0.72 0.00 2.01 -1.26 -5.02 115.64 107.14 2crm s THR 74 Ca 0.42 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.35 2crm s THR 74 Cb 0.27 -1.00 -0.17 0.00 0.01 0.00 0.00 72.50 71.60 2crm s THR 74 CO -0.09 0.00 3.15 0.54 -0.69 0.00 0.00 174.62 177.53 2crm n ARG 75 N 4.90 2.63 -3.15 4.92 1.74 -1.26 -4.60 116.66 121.83 2crm n ARG 75 Ca -0.12 -1.48 0.05 0.00 -0.77 0.00 0.00 57.85 55.53 2crm n ARG 75 Cb 0.53 -2.34 -0.01 0.00 -1.02 0.00 0.00 32.46 29.62 2crm n ARG 75 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2crm s GLU 76 N 1.71 0.26 0.15 5.56 2.12 -1.26 -2.82 118.70 124.42 2crm s GLU 76 Ca 0.64 0.44 0.06 0.00 0.36 0.00 0.00 54.97 56.47 2crm s GLU 76 Cb 0.24 0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.83 2crm s GLU 76 CO -0.03 -0.30 -0.14 -1.58 -0.54 0.00 0.00 175.26 172.68 2crm s HIS 77 N 2.94 1.49 -0.33 5.30 5.65 -0.90 -4.97 115.29 124.47 2crm s HIS 77 Ca 0.05 -0.59 -0.11 0.00 0.25 0.00 0.00 55.06 54.65 2crm s HIS 77 Cb -0.11 -0.74 -0.00 0.00 -1.18 0.00 0.00 32.58 30.55 2crm s HIS 77 CO -0.14 0.20 0.19 -1.17 -0.65 0.00 0.00 174.74 173.17 2crm s LEU 78 N -2.85 4.34 -1.00 8.88 2.96 -1.26 -0.80 118.68 128.95 2crm s LEU 78 Ca 0.15 -0.59 -0.19 0.00 -0.22 0.00 0.00 54.13 53.27 2crm s LEU 78 Cb -0.02 -2.04 0.11 0.00 0.50 0.00 0.00 46.19 44.73 2crm s LEU 78 CO 0.04 -0.24 1.28 0.00 -1.32 0.00 0.00 176.35 176.11 2crm s ASP 80 N 3.98 4.45 -1.15 0.00 1.01 -1.26 -3.18 116.67 120.52 2crm s ASP 80 Ca 0.39 -0.43 -0.01 0.00 0.71 0.00 0.00 52.55 53.21 2crm s ASP 80 Cb -0.03 0.02 0.00 0.00 1.01 0.00 0.00 42.92 43.92 2crm s ASP 80 CO -0.08 -1.79 0.96 0.54 0.21 0.00 0.00 175.17 175.02 2crm n ARG 81 N -2.75 -6.38 -3.72 8.23 1.74 -1.24 -4.99 116.66 107.55 2crm n ARG 81 Ca 0.15 0.80 -0.22 0.00 -0.77 0.00 0.00 57.85 57.81 2crm n ARG 81 Cb 0.61 -5.68 -0.04 0.00 -1.02 0.00 0.00 32.46 26.32 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 -6.19 3.36 -0.25 0.55 1.43 -1.23 -5.09 118.68 111.26 2crm s LEU 82 Ca 0.05 -0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 52.30 2crm s LEU 82 Cb -0.02 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 2crm s LEU 82 CO 0.69 -0.58 0.09 0.20 0.23 0.00 0.00 176.35 176.98 2crm s ASN 83 N -4.06 5.28 -0.14 2.29 -0.87 -1.26 -4.70 114.94 111.48 2crm s ASN 83 Ca 0.45 -0.17 -0.29 0.00 -1.57 0.00 0.00 52.86 51.28 2crm s ASN 83 Cb -0.02 -1.95 -0.04 0.00 -0.02 0.00 0.00 41.25 39.22 2crm s ASN 83 CO 0.26 -0.03 1.56 -2.16 -2.57 0.00 0.00 177.10 174.16 2crm s PRO 84 N 1.61 4.03 0.00 -0.60 0.04 -1.26 -3.37 135.00 135.45 2crm s PRO 84 Ca 0.06 1.87 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2crm s PRO 84 Cb -0.15 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2crm s PRO 84 CO 0.05 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.49 2crm n GLY 85 N 4.25 1.09 3.61 0.56 0.00 -0.20 -4.47 105.19 110.03 2crm n GLY 85 Ca 0.17 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.92 2.83 -0.29 0.00 0.08 -1.26 -3.10 117.98 112.31 2crm s PHE 87 Ca 0.22 -0.13 -0.15 0.00 0.12 0.00 0.00 56.93 56.99 2crm s PHE 87 Cb -0.01 -2.65 0.15 0.00 -0.57 0.00 0.00 43.02 39.94 2crm s PHE 87 CO 0.09 -0.75 0.95 0.71 -0.10 0.00 0.00 175.22 176.13 2crm s TYR 88 N -2.64 -0.68 0.09 0.36 2.02 -1.25 -3.02 117.35 112.23 2crm s TYR 88 Ca 0.57 1.26 -0.09 0.00 -0.37 0.00 0.00 57.07 58.43 2crm s TYR 88 Cb -0.10 0.41 -0.06 0.00 -0.40 0.00 0.00 41.96 41.81 2crm s TYR 88 CO 0.37 -0.34 0.40 1.03 -1.57 0.00 0.00 175.55 175.44 2crm s ARG 89 N 1.93 3.74 -0.14 -0.62 1.81 -1.22 -3.34 118.95 121.11 2crm s ARG 89 Ca -0.06 0.14 -0.12 0.00 -1.72 0.00 0.00 55.73 53.97 2crm s ARG 89 Cb -0.05 -2.97 0.04 0.00 -0.45 0.00 0.00 34.95 31.51 2crm s ARG 89 CO -0.16 0.55 0.36 -0.51 -0.68 0.00 0.00 175.30 174.85 2crm s LEU 90 N -2.01 0.58 0.01 2.53 1.02 -1.19 -2.16 118.68 117.46 2crm s LEU 90 Ca 0.34 0.73 0.01 0.00 0.02 0.00 0.00 54.13 55.23 2crm s LEU 90 Cb -0.14 1.23 -0.01 0.00 0.02 0.00 0.00 46.19 47.29 2crm s LEU 90 CO 0.19 -0.13 -0.05 -0.13 0.02 0.00 0.00 176.35 176.25 2crm s ARG 91 N 0.28 0.37 -0.06 1.70 0.52 -1.22 0.45 118.95 121.00 2crm s ARG 91 Ca -0.01 -0.32 -0.00 0.00 -0.52 0.00 0.00 55.73 54.88 2crm s ARG 91 Cb -0.03 -0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.12 2crm s ARG 91 CO -0.00 0.07 -0.02 0.08 0.02 0.00 0.00 175.30 175.44 2crm s VAL 92 N -0.49 4.08 -0.13 3.52 1.01 -1.26 -0.12 120.40 127.01 2crm s VAL 92 Ca -0.02 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 2crm s VAL 92 Cb -0.04 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.64 2crm s VAL 92 CO -0.00 0.54 0.34 -0.72 0.00 0.00 0.00 175.10 175.26 2crm s TYR 93 N -0.92 -0.38 -0.02 5.22 1.13 -0.72 -2.88 117.35 118.78 2crm s TYR 93 Ca 0.15 0.93 -0.02 0.00 -1.41 0.00 0.00 57.07 56.71 2crm s TYR 93 Cb -0.11 0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.84 2crm s TYR 93 CO 0.04 -0.19 0.14 0.00 -2.51 0.00 0.00 175.55 173.04 2crm s ILE 95 N -1.24 4.07 0.36 0.00 1.09 -0.89 -3.63 121.20 120.96 2crm s ILE 95 Ca 0.24 -3.81 0.01 0.00 -1.10 0.00 0.00 60.65 55.99 2crm s ILE 95 Cb -0.12 -3.55 -0.03 0.00 -1.06 0.00 0.00 42.46 37.69 2crm s ILE 95 CO 0.15 -1.05 0.57 -0.44 -0.10 0.00 0.00 174.94 174.07 2crm s SER 96 N -0.22 6.21 -1.63 3.58 0.01 -0.79 -4.07 113.70 116.79 2crm s SER 96 Ca 0.26 0.41 -0.17 0.00 1.31 0.00 0.00 55.95 57.75 2crm s SER 96 Cb -0.09 -1.93 0.17 0.00 0.21 0.00 0.00 66.02 64.38 2crm s SER 96 CO -0.12 -0.36 0.44 -0.90 0.41 0.00 0.00 173.24 172.70 2crm n ASP 97 N -1.83 -1.17 -3.63 2.44 5.75 -1.26 0.73 116.55 117.58 2crm n ASP 97 Ca -0.04 -1.12 -0.20 0.00 -0.01 0.00 0.00 54.79 53.42 2crm n ASP 97 Cb 0.56 -1.43 0.05 0.00 -1.03 0.00 0.00 41.12 39.27 2crm n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2crm n GLY 98 N -1.27 -0.33 3.65 6.12 0.00 -1.26 -4.98 105.19 107.12 2crm n GLY 98 Ca 0.03 0.13 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 2crm n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2crm s GLY 99 N -4.34 0.26 0.03 -0.02 0.00 0.22 -5.15 107.32 98.32 2crm s GLY 99 Ca 0.01 3.38 -0.07 0.00 0.00 0.00 0.00 44.72 48.05 2crm s GLY 99 CO 0.79 2.43 0.30 -0.86 0.00 0.00 0.00 173.10 175.76 2crm s GLN 100 N 0.85 3.61 0.44 2.90 1.03 -1.26 -1.88 119.66 125.35 2crm s GLN 100 Ca -0.04 -0.04 0.08 0.00 0.04 0.00 0.00 55.36 55.40 2crm s GLN 100 Cb -0.04 -3.05 -0.00 0.00 0.03 0.00 0.00 33.01 29.96 2crm s GLN 100 CO -0.12 0.62 0.45 0.45 -2.54 0.00 0.00 175.29 174.15 2crm s SER 101 N -1.79 5.15 0.14 12.60 0.15 -1.24 -5.04 113.70 123.67 2crm s SER 101 Ca 0.30 -0.72 -0.22 0.00 0.70 0.00 0.00 55.95 56.01 2crm s SER 101 Cb -0.13 -0.45 -0.13 0.00 -1.71 0.00 0.00 66.02 63.60 2crm s SER 101 CO 0.18 -0.76 0.41 0.00 1.20 0.00 0.00 173.24 174.27 2crm n ALA 102 N -1.68 -2.44 -1.84 5.45 0.00 -1.26 -4.79 120.51 113.95 2crm n ALA 102 Ca 0.05 0.34 -0.31 0.00 0.00 0.00 0.00 53.44 53.52 2crm n ALA 102 Cb 0.61 -1.22 0.01 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.71 4.60 0.34 0.00 -7.23 -1.26 -4.54 120.40 111.60 2crm s VAL 103 Ca 0.49 0.92 -0.08 0.00 -1.81 0.00 0.00 61.98 61.51 2crm s VAL 103 Cb -0.72 -3.79 -0.06 0.00 0.56 0.00 0.00 36.38 32.37 2crm s VAL 103 CO 0.42 -1.03 0.65 -0.94 -0.31 0.00 0.00 175.10 173.90 2crm s SER 104 N -3.91 6.48 0.66 4.85 1.04 -1.14 -4.97 113.70 116.71 2crm s SER 104 Ca 0.56 0.91 -0.16 0.00 0.48 0.00 0.00 55.95 57.74 2crm s SER 104 Cb -0.11 -2.23 -0.14 0.00 0.10 0.00 0.00 66.02 63.64 2crm s SER 104 CO 0.50 -0.29 -0.39 -0.62 0.98 0.00 0.00 173.24 173.41 2crm n GLU 105 N -1.10 0.00 -2.82 4.02 1.02 -1.26 -4.43 120.64 116.07 2crm n GLU 105 Ca 0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 2crm n GLU 105 Cb 0.54 -0.90 -0.06 0.00 -0.02 0.00 0.00 31.44 30.99 2crm n GLU 105 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2crm s SER 106 N -0.90 7.28 -0.42 1.62 0.01 -1.26 -4.59 113.70 115.43 2crm s SER 106 Ca 0.45 1.78 -0.15 0.00 1.31 0.00 0.00 55.95 59.33 2crm s SER 106 Cb -0.32 -2.56 0.03 0.00 0.21 0.00 0.00 66.02 63.38 2crm s SER 106 CO 0.67 -0.08 0.34 -0.22 0.41 0.00 0.00 173.24 174.35 2crm s LEU 107 N -2.15 5.13 -0.43 2.44 2.96 0.17 -4.81 118.68 122.00 2crm s LEU 107 Ca 0.51 -0.92 -0.21 0.00 -0.22 0.00 0.00 54.13 53.28 2crm s LEU 107 Cb -0.18 -2.20 0.02 0.00 0.50 0.00 0.00 46.19 44.33 2crm s LEU 107 CO 0.22 -0.50 0.68 -0.22 -1.32 0.00 0.00 176.35 175.22 2crm s LEU 108 N 1.76 4.41 -0.14 -0.68 2.96 -1.26 -3.15 118.68 122.57 2crm s LEU 108 Ca 0.06 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 2crm s LEU 108 Cb -0.19 -2.80 0.02 0.00 0.50 0.00 0.00 46.19 43.72 2crm s LEU 108 CO 0.10 -0.80 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.51 2crm s VAL 109 N 2.94 1.49 -0.28 1.68 1.01 -1.21 -4.99 120.40 121.03 2crm s VAL 109 Ca 0.25 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.52 2crm s VAL 109 Cb -0.14 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2crm s VAL 109 CO 0.20 0.44 0.26 -1.58 0.00 0.00 0.00 175.10 174.42 2crm s GLN 110 N 1.52 3.96 0.35 2.72 0.74 -1.26 -3.83 119.66 123.86 2crm s GLN 110 Ca 0.05 -0.19 -0.25 0.00 0.05 0.00 0.00 55.36 55.01 2crm s GLN 110 Cb -0.13 -3.67 -0.09 0.00 1.10 0.00 0.00 33.01 30.22 2crm s GLN 110 CO -0.10 -0.23 1.00 0.95 -0.55 0.00 0.00 175.29 176.36 2crm s THR 111 N 1.88 3.94 -0.29 -0.34 -4.23 -1.18 -4.94 115.64 110.49 2crm s THR 111 Ca 0.10 1.58 -0.29 0.00 -1.18 0.00 0.00 61.69 61.90 2crm s THR 111 Cb -0.16 -3.86 -0.02 0.00 1.34 0.00 0.00 72.50 69.80 2crm s THR 111 CO 0.11 0.10 1.66 -2.16 -0.54 0.00 0.00 174.62 173.78 2crm s PRO 112 N -2.21 3.59 -0.01 3.99 0.04 -1.26 -1.03 135.00 138.12 2crm s PRO 112 Ca 0.53 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 2crm s PRO 112 Cb -0.21 -4.09 -0.06 0.00 0.04 0.00 0.00 34.50 30.18 2crm s PRO 112 CO 0.27 -1.54 1.51 0.00 0.04 0.00 0.00 177.00 177.28 2crm s ALA 113 N 5.86 3.62 -1.15 8.56 0.00 -1.26 -4.36 121.76 133.03 2crm s ALA 113 Ca 0.73 0.94 -0.18 0.00 0.00 0.00 0.00 51.96 53.46 2crm s ALA 113 Cb -0.22 -3.66 0.11 0.00 0.00 0.00 0.00 23.12 19.35 2crm s ALA 113 CO 0.31 -1.09 1.47 0.14 0.00 0.00 0.00 175.76 176.60 2crm s VAL 114 N 2.90 4.50 0.12 0.00 -7.23 -1.26 -4.91 120.40 114.53 2crm s VAL 114 Ca 0.68 -1.90 -0.25 0.00 -1.81 0.00 0.00 61.98 58.71 2crm s VAL 114 Cb -0.33 -5.00 0.07 0.00 0.56 0.00 0.00 36.38 31.68 2crm s VAL 114 CO 0.28 -1.78 0.73 -0.55 -0.31 0.00 0.00 175.10 173.47 2crm s SER 115 N 3.78 -0.44 0.01 4.85 0.15 -1.26 -5.14 113.70 115.65 2crm s SER 115 Ca 0.45 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2crm s SER 115 Cb -0.01 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2crm s SER 115 CO -0.01 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.14 2crm n GLY 116 N -0.36 0.57 3.76 9.45 0.00 -1.26 -4.52 105.19 112.83 2crm n GLY 116 Ca -0.12 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 4.44 0.77 1.61 0.04 -1.26 -4.99 135.00 135.61 2crm s PRO 117 Ca 0.00 2.05 -0.15 0.00 0.04 0.00 0.00 61.00 62.95 2crm s PRO 117 Cb 0.00 -3.14 0.04 0.00 0.04 0.00 0.00 34.50 31.43 2crm s PRO 117 CO 0.00 -0.10 1.02 0.45 0.04 0.00 0.00 177.00 178.41 2crm n SER 118 N 1.51 0.54 -4.74 6.66 2.88 -1.26 -4.93 113.62 114.27 2crm n SER 118 Ca 0.02 0.62 -0.36 0.00 -1.33 0.00 0.00 58.87 57.81 2crm n SER 118 Cb 0.43 -1.43 0.05 0.00 -0.75 0.00 0.00 64.21 62.51 2crm n SER 118 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2crm s SER 119 N -1.84 4.89 0.00 -3.46 0.01 -1.26 -5.19 113.70 106.85 2crm s SER 119 Ca 0.72 2.50 0.01 0.00 1.31 0.00 0.00 55.95 60.49 2crm s SER 119 Cb -0.32 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.31 2crm s SER 119 CO 0.51 -1.80 0.52 0.61 0.41 0.00 0.00 173.24 173.49