#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 0.16 0.03 1.61 0.15 -1.26 -5.17 113.70 109.22 2crm s SER 2 Ca 0.00 -1.32 0.04 0.00 0.70 0.00 0.00 55.95 55.37 2crm s SER 2 Cb 0.00 0.38 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 2crm s SER 2 CO 0.00 -0.84 -0.12 -0.55 1.20 0.00 0.00 173.24 172.93 2crm s SER 3 N -3.13 1.43 0.51 5.45 0.15 -1.26 -5.16 113.70 111.70 2crm s SER 3 Ca 0.35 -0.41 0.08 0.00 0.70 0.00 0.00 55.95 56.67 2crm s SER 3 Cb 0.07 -0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.33 2crm s SER 3 CO 0.10 0.01 0.61 -0.83 1.20 0.00 0.00 173.24 174.33 2crm s GLY 4 N -1.03 1.95 -0.07 9.45 0.00 -1.26 -5.13 107.32 111.23 2crm s GLY 4 Ca 0.00 -1.85 -0.03 0.00 0.00 0.00 0.00 44.72 42.84 2crm s GLY 4 CO 0.01 -1.69 0.16 -0.45 0.00 0.00 0.00 173.10 171.13 2crm s SER 5 N -4.45 -0.06 -0.06 1.64 0.15 -1.26 -5.15 113.70 104.52 2crm s SER 5 Ca 0.53 0.33 0.02 0.00 0.70 0.00 0.00 55.95 57.53 2crm s SER 5 Cb -0.06 0.22 0.02 0.00 -1.71 0.00 0.00 66.02 64.49 2crm s SER 5 CO 0.33 -0.16 -0.10 -0.94 1.20 0.00 0.00 173.24 173.57 2crm s SER 6 N 1.28 1.59 -0.70 5.45 1.04 -1.26 -5.06 113.70 116.04 2crm s SER 6 Ca -0.08 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.13 2crm s SER 6 Cb -0.12 -0.72 0.33 0.00 0.10 0.00 0.00 66.02 65.62 2crm s SER 6 CO -0.06 -0.01 1.17 0.61 0.98 0.00 0.00 173.24 175.93 2crm n GLY 7 N 3.99 5.73 3.44 7.32 0.00 -1.26 -5.03 105.19 119.38 2crm n GLY 7 Ca -0.22 -2.74 -0.33 0.00 0.00 0.00 0.00 46.02 42.73 2crm n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2crm s VAL 8 N -4.40 3.13 -0.06 1.61 1.01 -1.26 -5.12 120.40 115.31 2crm s VAL 8 Ca 0.46 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2crm s VAL 8 Cb 0.25 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 2crm s VAL 8 CO -0.13 0.56 -0.10 0.68 0.00 0.00 0.00 175.10 176.11 2crm s VAL 9 N -0.19 3.45 0.23 2.92 -7.23 -1.26 -5.12 120.40 113.21 2crm s VAL 9 Ca 0.00 -0.57 -0.08 0.00 -1.81 0.00 0.00 61.98 59.52 2crm s VAL 9 Cb -0.13 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 2crm s VAL 9 CO 0.03 0.59 0.36 -1.83 -0.31 0.00 0.00 175.10 173.94 2crm s GLU 10 N -0.76 1.44 -0.16 4.82 1.03 -1.26 -5.14 118.70 118.66 2crm s GLU 10 Ca 0.12 -1.40 -0.19 0.00 0.03 0.00 0.00 54.97 53.52 2crm s GLU 10 Cb -0.11 0.40 -0.03 0.00 -0.80 0.00 0.00 34.13 33.59 2crm s GLU 10 CO 0.01 -0.56 0.55 -0.06 -1.33 0.00 0.00 175.26 173.87 2crm s PHE 11 N -4.04 3.43 -0.24 4.83 0.08 -1.26 -5.05 117.98 115.74 2crm s PHE 11 Ca 0.29 0.89 -0.20 0.00 0.12 0.00 0.00 56.93 58.02 2crm s PHE 11 Cb 0.02 -2.67 0.06 0.00 -0.57 0.00 0.00 43.02 39.86 2crm s PHE 11 CO 0.10 -0.02 0.62 0.99 -0.10 0.00 0.00 175.22 176.81 2crm s THR 12 N 1.31 -0.00 -0.64 0.64 2.01 -1.26 -5.12 115.64 112.58 2crm s THR 12 Ca 0.27 0.01 -0.19 0.00 0.31 0.00 0.00 61.69 62.08 2crm s THR 12 Cb -0.16 -0.87 0.11 0.00 0.01 0.00 0.00 72.50 71.59 2crm s THR 12 CO 0.11 0.00 0.77 -0.89 -0.69 0.00 0.00 174.62 173.92 2crm s THR 13 N 0.56 4.79 0.11 -0.82 2.01 -1.26 -5.03 115.64 116.01 2crm s THR 13 Ca -0.02 -1.04 0.09 0.00 0.31 0.00 0.00 61.69 61.04 2crm s THR 13 Cb -0.05 -4.54 -0.04 0.00 0.01 0.00 0.00 72.50 67.89 2crm s THR 13 CO -0.03 -1.20 -0.23 0.00 -0.69 0.00 0.00 174.62 172.47 2crm s PRO 15 N -1.95 0.75 0.54 0.00 0.04 -1.26 -5.03 135.00 128.08 2crm s PRO 15 Ca 0.09 0.64 -0.13 0.00 0.04 0.00 0.00 61.00 61.64 2crm s PRO 15 Cb -0.10 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.62 2crm s PRO 15 CO 0.05 -2.54 0.97 -0.51 0.04 0.00 0.00 177.00 175.00 2crm s ASP 16 N -3.44 6.44 0.39 6.66 1.01 -1.26 -5.02 116.67 121.45 2crm s ASP 16 Ca 0.65 1.43 -0.23 0.00 0.71 0.00 0.00 52.55 55.10 2crm s ASP 16 Cb -0.18 -2.46 -0.10 0.00 1.01 0.00 0.00 42.92 41.18 2crm s ASP 16 CO 0.57 -0.67 0.95 -0.54 0.21 0.00 0.00 175.17 175.69 2crm s LYS 17 N -4.51 4.35 0.58 8.23 1.02 -1.26 -4.10 119.74 124.06 2crm s LYS 17 Ca 0.56 1.23 -0.10 0.00 0.02 0.00 0.00 55.97 57.68 2crm s LYS 17 Cb -0.10 -2.44 0.14 0.00 -0.52 0.00 0.00 37.83 34.91 2crm s LYS 17 CO 0.41 0.08 0.51 -0.35 -0.92 0.00 0.00 175.35 175.07 2crm n PRO 18 N -0.16 -2.03 -3.55 -1.68 -0.04 -1.26 -4.50 135.00 121.79 2crm n PRO 18 Ca 0.05 -0.81 -0.28 0.00 -0.04 0.00 0.00 63.50 62.42 2crm n PRO 18 Cb 0.52 -0.77 -0.03 0.00 -0.04 0.00 0.00 33.50 33.19 2crm n PRO 18 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2crm s GLY 19 N -3.40 1.80 0.08 0.55 0.00 -1.25 -4.80 107.32 100.29 2crm s GLY 19 Ca 0.33 -0.73 -0.31 0.00 0.00 0.00 0.00 44.72 44.01 2crm s GLY 19 CO 0.25 -0.66 1.44 -0.42 0.00 0.00 0.00 173.10 173.72 2crm s ILE 20 N -1.97 3.33 0.22 0.90 1.09 -1.26 -4.75 121.20 118.77 2crm s ILE 20 Ca 0.41 0.88 -0.30 0.00 -1.10 0.00 0.00 60.65 60.54 2crm s ILE 20 Cb -0.11 -3.57 -0.09 0.00 -1.06 0.00 0.00 42.46 37.64 2crm s ILE 20 CO 0.30 0.04 1.29 -2.16 -0.10 0.00 0.00 174.94 174.30 2crm s PRO 21 N 1.67 4.41 0.21 2.79 0.04 -1.26 -4.62 135.00 138.23 2crm s PRO 21 Ca 0.66 2.05 -0.31 0.00 0.04 0.00 0.00 61.00 63.45 2crm s PRO 21 Cb -0.36 -3.18 -0.16 0.00 0.04 0.00 0.00 34.50 30.84 2crm s PRO 21 CO 0.30 -0.20 0.97 0.28 0.04 0.00 0.00 177.00 178.38 2crm n VAL 22 N 2.24 1.46 -1.58 -0.36 0.31 -0.69 -4.72 118.33 114.99 2crm n VAL 22 Ca 0.05 -0.36 -0.47 0.00 -0.01 0.00 0.00 64.34 63.54 2crm n VAL 22 Cb 0.43 -0.67 -0.03 0.00 -0.91 0.00 0.00 33.84 32.66 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 1.22 1.25 -2.24 5.55 0.00 -1.26 -3.88 118.16 118.81 2crm n LYS 23 Ca 0.14 0.44 -0.41 0.00 0.00 0.00 0.00 58.31 58.49 2crm n LYS 23 Cb 0.26 -1.88 -0.03 0.00 0.00 0.00 0.00 35.03 33.38 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 -0.89 4.44 0.44 1.64 0.04 -1.26 -4.62 135.00 134.80 2crm s PRO 24 Ca 0.66 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.81 2crm s PRO 24 Cb -0.78 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.57 2crm s PRO 24 CO 0.55 -0.09 0.02 0.45 0.04 0.00 0.00 177.00 177.97 2crm s SER 25 N -0.37 3.78 0.10 6.66 0.15 0.61 -4.85 113.70 119.77 2crm s SER 25 Ca 0.50 -1.49 -0.20 0.00 0.70 0.00 0.00 55.95 55.46 2crm s SER 25 Cb -0.37 0.02 -0.07 0.00 -1.71 0.00 0.00 66.02 63.89 2crm s SER 25 CO 0.46 -0.64 0.61 -0.69 1.20 0.00 0.00 173.24 174.17 2crm s VAL 26 N -2.85 4.68 -0.11 4.45 1.01 -1.26 -0.92 120.40 125.39 2crm s VAL 26 Ca 0.24 1.27 0.03 0.00 0.00 0.00 0.00 61.98 63.52 2crm s VAL 26 Cb 0.06 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 2crm s VAL 26 CO 0.12 0.52 -0.20 -1.59 0.00 0.00 0.00 175.10 173.95 2crm s LYS 27 N -1.20 3.15 6.35 2.72 -2.85 -1.04 -4.89 119.74 121.98 2crm s LYS 27 Ca 0.31 -0.82 0.00 0.00 -1.00 0.00 0.00 55.97 54.46 2crm s LYS 27 Cb -0.20 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.15 2crm s LYS 27 CO 0.20 0.17 0.00 0.41 0.10 0.00 0.00 175.35 176.23 2crm n GLY 28 N 3.59 0.84 3.42 0.59 0.00 -1.26 -4.57 105.19 107.79 2crm n GLY 28 Ca -0.19 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 2crm n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crm s LYS 29 N 0.00 2.04 -0.48 1.61 1.02 -1.26 -5.10 119.74 117.57 2crm s LYS 29 Ca 0.00 -0.99 -0.20 0.00 0.02 0.00 0.00 55.97 54.81 2crm s LYS 29 Cb 0.00 -2.14 0.04 0.00 -0.52 0.00 0.00 37.83 35.21 2crm s LYS 29 CO 0.00 0.54 0.64 0.42 -0.92 0.00 0.00 175.35 176.03 2crm s ILE 30 N -0.85 4.84 1.26 2.17 1.01 -1.26 -4.77 121.20 123.60 2crm s ILE 30 Ca 0.13 -0.22 -0.21 0.00 0.00 0.00 0.00 60.65 60.35 2crm s ILE 30 Cb -0.10 -4.27 0.31 0.00 0.01 0.00 0.00 42.46 38.41 2crm s ILE 30 CO 0.03 -0.73 1.08 -1.00 0.00 0.00 0.00 174.94 174.32 2crm s HIS 31 N 2.76 0.11 0.00 3.97 3.76 -0.95 -4.75 115.29 120.18 2crm s HIS 31 Ca 0.18 0.46 -0.01 0.00 -0.15 0.00 0.00 55.06 55.54 2crm s HIS 31 Cb -0.17 -3.37 -0.00 0.00 1.11 0.00 0.00 32.58 30.15 2crm s HIS 31 CO 0.15 -4.18 1.01 0.66 -0.85 0.00 0.00 174.74 171.53 2crm h SER 32 N -2.80 -0.04 -1.85 1.40 4.64 -1.97 -3.33 113.55 109.59 2crm h SER 32 Ca -0.43 0.01 -0.52 0.00 -0.47 0.00 0.00 61.79 60.37 2crm h SER 32 Cb 1.30 0.02 -0.41 0.00 -0.31 0.00 0.00 62.40 62.99 2crm h SER 32 CO 0.30 -0.01 -0.90 0.00 -0.87 0.00 0.00 176.83 175.36 2crm n HIS 33 N -2.69 2.42 -3.17 4.77 1.44 -1.26 -3.51 115.22 113.22 2crm n HIS 33 Ca -0.00 -3.58 0.05 0.00 -2.01 0.00 0.00 57.72 52.18 2crm n HIS 33 Cb 0.01 -0.37 -0.02 0.00 0.12 0.00 0.00 29.99 29.73 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 -3.15 -0.33 -0.04 4.39 1.04 -1.25 -3.31 113.70 111.04 2crm s SER 34 Ca 0.43 0.24 -0.07 0.00 0.48 0.00 0.00 55.95 57.04 2crm s SER 34 Cb 0.35 1.29 0.01 0.00 0.10 0.00 0.00 66.02 67.78 2crm s SER 34 CO -0.11 -0.06 0.16 0.72 0.98 0.00 0.00 173.24 174.94 2crm s PHE 35 N 2.85 -0.11 0.09 5.02 -0.12 -1.21 -2.25 117.98 122.25 2crm s PHE 35 Ca -0.03 0.27 -0.09 0.00 -0.05 0.00 0.00 56.93 57.03 2crm s PHE 35 Cb -0.09 0.03 -0.06 0.00 -0.63 0.00 0.00 43.02 42.27 2crm s PHE 35 CO -0.11 -0.16 0.39 0.15 -0.05 0.00 0.00 175.22 175.44 2crm s LYS 36 N -0.42 3.72 0.06 1.99 1.02 -1.26 -0.80 119.74 124.05 2crm s LYS 36 Ca -0.05 0.11 0.07 0.00 0.02 0.00 0.00 55.97 56.12 2crm s LYS 36 Cb -0.03 -2.95 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 2crm s LYS 36 CO 0.01 0.53 -0.19 0.96 -0.92 0.00 0.00 175.35 175.74 2crm s ILE 37 N -1.47 1.56 0.01 2.17 -4.36 -0.21 -2.50 121.20 116.41 2crm s ILE 37 Ca 0.35 -1.27 0.01 0.00 -0.26 0.00 0.00 60.65 59.48 2crm s ILE 37 Cb -0.13 -1.39 -0.01 0.00 1.25 0.00 0.00 42.46 42.18 2crm s ILE 37 CO 0.19 0.08 -0.04 0.28 0.24 0.00 0.00 174.94 175.69 2crm s THR 38 N -0.93 0.27 0.18 8.37 -1.32 -0.10 -1.75 115.64 120.36 2crm s THR 38 Ca 0.06 -0.44 0.07 0.00 -1.21 0.00 0.00 61.69 60.17 2crm s THR 38 Cb -0.09 -0.29 -0.04 0.00 -1.51 0.00 0.00 72.50 70.57 2crm s THR 38 CO 0.02 -0.11 -0.14 -1.66 -2.21 0.00 0.00 174.62 170.52 2crm s TRP 39 N -0.54 1.59 0.12 9.09 -2.14 -0.57 -0.29 118.94 126.21 2crm s TRP 39 Ca -0.04 -0.59 -0.01 0.00 2.66 0.00 0.00 56.10 58.12 2crm s TRP 39 Cb -0.04 -0.77 -0.04 0.00 -3.10 0.00 0.00 33.47 29.51 2crm s TRP 39 CO -0.00 0.27 0.31 -0.51 -2.66 0.00 0.00 176.95 174.36 2crm s ASP 40 N -3.08 6.40 0.79 -2.66 1.11 -1.25 -4.81 116.67 113.16 2crm s ASP 40 Ca 0.18 0.38 -0.11 0.00 0.18 0.00 0.00 52.55 53.19 2crm s ASP 40 Cb -0.01 -2.00 0.06 0.00 1.07 0.00 0.00 42.92 42.04 2crm s ASP 40 CO 0.05 0.08 1.09 -2.16 1.18 0.00 0.00 175.17 175.41 2crm s PRO 41 N -2.80 2.15 0.09 8.23 0.04 -1.26 -1.71 135.00 139.75 2crm s PRO 41 Ca 0.37 1.13 -0.31 0.00 0.04 0.00 0.00 61.00 62.24 2crm s PRO 41 Cb -0.12 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.46 2crm s PRO 41 CO 0.27 -1.71 1.37 -1.25 0.04 0.00 0.00 177.00 175.73 2crm s PRO 42 N -4.91 4.33 0.14 0.56 0.04 -1.26 -4.51 135.00 129.39 2crm s PRO 42 Ca 0.61 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 63.51 2crm s PRO 42 Cb -0.17 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.05 2crm s PRO 42 CO 0.56 -0.44 1.79 0.87 0.04 0.00 0.00 177.00 179.82 2crm h LYS 43 N 6.95 0.38 -4.11 4.56 1.57 -1.94 -3.36 116.57 120.62 2crm h LYS 43 Ca -0.42 -0.02 -0.68 0.00 -1.87 0.00 0.00 60.65 57.66 2crm h LYS 43 Cb 1.21 -0.09 -0.37 0.00 0.08 0.00 0.00 32.23 33.06 2crm h LYS 43 CO 0.86 0.25 -0.54 -0.51 -0.57 0.00 0.00 179.45 178.95 2crm s ASP 44 N -5.45 5.03 0.99 0.86 1.11 -1.26 -5.10 116.67 112.86 2crm s ASP 44 Ca -0.13 -2.43 -0.15 0.00 0.18 0.00 0.00 52.55 50.03 2crm s ASP 44 Cb 0.10 -1.77 0.19 0.00 1.07 0.00 0.00 42.92 42.50 2crm s ASP 44 CO 0.71 -0.42 1.16 0.54 1.18 0.00 0.00 175.17 178.34 2crm s ASN 45 N 1.04 2.77 0.17 0.27 4.22 -1.26 -3.83 114.94 118.32 2crm s ASN 45 Ca 0.12 0.77 0.01 0.00 -2.14 0.00 0.00 52.86 51.63 2crm s ASN 45 Cb -0.22 -1.18 0.01 0.00 1.28 0.00 0.00 41.25 41.15 2crm s ASN 45 CO -0.04 -2.99 0.12 0.61 -2.04 0.00 0.00 177.10 172.75 2crm n GLY 46 N -2.13 3.02 0.36 0.45 0.00 -1.26 -4.77 105.19 100.86 2crm n GLY 46 Ca 0.10 -2.21 0.14 0.00 0.00 0.00 0.00 46.02 44.04 2crm n GLY 46 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2crm h GLY 47 N 0.21 1.69 -1.70 -0.02 0.00 -1.86 -3.41 103.07 97.99 2crm h GLY 47 Ca -0.11 -0.34 -0.49 0.00 0.00 0.00 0.00 47.33 46.39 2crm h GLY 47 CO 0.17 -0.07 0.35 0.00 0.00 0.00 0.00 176.54 177.00 2crm s ALA 48 N -5.80 3.12 -0.34 3.60 0.00 -1.26 -5.03 121.76 116.06 2crm s ALA 48 Ca -0.11 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 2crm s ALA 48 Cb 0.25 -3.04 0.08 0.00 0.00 0.00 0.00 23.12 20.41 2crm s ALA 48 CO 0.80 -0.38 0.08 0.99 0.00 0.00 0.00 175.76 177.25 2crm s THR 49 N -2.80 3.05 0.17 0.00 2.01 -1.26 -4.86 115.64 111.94 2crm s THR 49 Ca 0.56 -1.70 -0.19 0.00 0.31 0.00 0.00 61.69 60.67 2crm s THR 49 Cb -0.10 -2.92 -0.12 0.00 0.01 0.00 0.00 72.50 69.37 2crm s THR 49 CO 0.40 -0.36 0.31 -0.38 -0.69 0.00 0.00 174.62 173.90 2crm n ILE 50 N 4.58 1.24 0.02 1.82 -0.00 -1.26 -4.83 119.36 120.93 2crm n ILE 50 Ca -0.08 -0.35 0.00 0.00 -0.00 0.00 0.00 62.75 62.32 2crm n ILE 50 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.07 2crm n ILE 50 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 2crm n ASN 51 N 1.45 0.28 -4.34 4.38 3.02 -1.18 -5.03 115.26 113.83 2crm n ASN 51 Ca 0.12 0.06 -0.31 0.00 -0.03 0.00 0.00 54.58 54.41 2crm n ASN 51 Cb 0.19 -0.07 -0.15 0.00 -0.61 0.00 0.00 39.78 39.14 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 -2.00 2.29 -0.45 3.52 2.20 -1.26 -4.67 119.74 119.37 2crm s LYS 52 Ca 0.00 -0.87 -0.05 0.00 -0.36 0.00 0.00 55.97 54.69 2crm s LYS 52 Cb 0.00 -2.14 0.12 0.00 -1.51 0.00 0.00 37.83 34.29 2crm s LYS 52 CO 0.00 0.54 0.27 0.71 -0.36 0.00 0.00 175.35 176.52 2crm s TYR 53 N -0.55 3.53 0.36 4.03 2.02 0.17 -2.09 117.35 124.81 2crm s TYR 53 Ca 0.08 -2.25 -0.05 0.00 -0.37 0.00 0.00 57.07 54.48 2crm s TYR 53 Cb -0.11 -3.33 -0.05 0.00 -0.40 0.00 0.00 41.96 38.08 2crm s TYR 53 CO 0.00 -0.97 0.64 0.08 -1.57 0.00 0.00 175.55 173.73 2crm s VAL 54 N 1.13 4.97 -0.02 0.71 1.01 -1.07 -3.81 120.40 123.32 2crm s VAL 54 Ca 0.08 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.19 2crm s VAL 54 Cb -0.24 -3.78 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 2crm s VAL 54 CO -0.03 -0.51 -0.11 -0.69 0.00 0.00 0.00 175.10 173.77 2crm s VAL 55 N -2.31 0.90 -0.27 2.92 1.01 -1.22 -2.36 120.40 119.07 2crm s VAL 55 Ca 0.45 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 2crm s VAL 55 Cb -0.10 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.52 2crm s VAL 55 CO 0.34 0.27 -0.01 -1.61 0.00 0.00 0.00 175.10 174.09 2crm s GLU 56 N 0.00 2.90 0.07 2.72 2.02 0.69 -3.25 118.70 123.85 2crm s GLU 56 Ca -0.00 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 54.06 2crm s GLU 56 Cb -0.07 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 2crm s GLU 56 CO 0.00 -0.43 0.10 1.41 0.02 0.00 0.00 175.26 176.37 2crm s MET 57 N 1.38 2.98 0.24 1.61 1.75 -1.24 -0.97 119.30 125.05 2crm s MET 57 Ca 0.01 -0.63 0.06 0.00 -1.25 0.00 0.00 55.69 53.88 2crm s MET 57 Cb -0.17 -2.79 -0.05 0.00 2.84 0.00 0.00 34.83 34.66 2crm s MET 57 CO -0.02 0.58 -0.07 0.00 -0.65 0.00 0.00 175.02 174.86 2crm s ALA 58 N -1.39 2.12 0.64 4.11 0.00 0.90 -2.84 121.76 125.30 2crm s ALA 58 Ca 0.30 -1.79 -0.17 0.00 0.00 0.00 0.00 51.96 50.29 2crm s ALA 58 Cb -0.12 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 2crm s ALA 58 CO 0.22 -0.07 1.16 -2.00 0.00 0.00 0.00 175.76 175.08 2crm s GLU 59 N -3.73 2.80 -1.00 0.00 2.12 -1.25 -3.07 118.70 114.57 2crm s GLU 59 Ca 0.27 1.63 -0.31 0.00 0.36 0.00 0.00 54.97 56.92 2crm s GLU 59 Cb 0.03 -1.93 -0.22 0.00 0.26 0.00 0.00 34.13 32.27 2crm s GLU 59 CO 0.09 -1.29 2.68 0.41 -0.54 0.00 0.00 175.26 176.62 2crm n GLY 60 N 0.07 -0.49 3.70 -1.50 0.00 -1.19 -1.54 105.19 104.25 2crm n GLY 60 Ca 0.12 1.14 -0.22 0.00 0.00 0.00 0.00 46.02 47.07 2crm n GLY 60 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2crm n SER 61 N 10.41 -0.54 0.00 1.61 7.64 -1.26 -4.78 113.62 126.69 2crm n SER 61 Ca 0.66 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2crm n SER 61 Cb 0.03 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2crm n SER 61 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2crm n ASN 62 N -1.29 0.00 0.00 6.43 5.15 -0.59 -5.10 115.26 119.87 2crm n ASN 62 Ca -0.14 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 2crm n ASN 62 Cb 0.38 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.26 2crm n ASN 62 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2crm n GLY 63 N 2.00 1.25 2.36 8.20 0.00 -1.26 -5.03 105.19 112.72 2crm n GLY 63 Ca 0.00 0.38 -0.28 0.00 0.00 0.00 0.00 46.02 46.11 2crm n GLY 63 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2crm n ASN 64 N 0.00 5.46 -4.35 1.61 0.23 -1.26 -4.95 115.26 112.00 2crm n ASN 64 Ca 0.00 -3.75 -0.46 0.00 -0.53 0.00 0.00 54.58 49.84 2crm n ASN 64 Cb 0.00 -0.55 -0.02 0.00 -2.08 0.00 0.00 39.78 37.13 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 -3.66 3.72 -0.21 -3.83 1.02 -1.26 -5.01 119.74 110.51 2crm s LYS 65 Ca 0.51 -2.51 -0.04 0.00 0.02 0.00 0.00 55.97 53.96 2crm s LYS 65 Cb 0.42 -4.54 -0.01 0.00 -0.52 0.00 0.00 37.83 33.18 2crm s LYS 65 CO -0.12 -1.36 -0.03 -1.58 -0.92 0.00 0.00 175.35 171.34 2crm s TRP 66 N 0.30 2.98 -0.00 3.18 0.52 -1.26 -3.91 118.94 120.75 2crm s TRP 66 Ca 0.23 -0.75 0.01 0.00 0.02 0.00 0.00 56.10 55.61 2crm s TRP 66 Cb -0.09 -2.09 -0.00 0.00 -1.15 0.00 0.00 33.47 30.14 2crm s TRP 66 CO -0.09 -0.43 -0.03 -1.21 0.02 0.00 0.00 176.95 175.21 2crm s GLU 67 N 1.28 0.27 0.20 4.98 0.41 -1.13 -4.96 118.70 119.75 2crm s GLU 67 Ca 0.04 -0.12 -0.29 0.00 -0.41 0.00 0.00 54.97 54.19 2crm s GLU 67 Cb -0.14 -0.26 -0.17 0.00 -1.78 0.00 0.00 34.13 31.78 2crm s GLU 67 CO -0.01 0.07 0.69 -0.12 -0.49 0.00 0.00 175.26 175.40 2crm n MET 68 N 3.01 0.31 0.00 1.61 1.56 -1.26 -3.70 117.12 118.65 2crm n MET 68 Ca -0.13 0.11 0.00 0.00 -0.27 0.00 0.00 57.70 57.41 2crm n MET 68 Cb 0.59 -1.25 0.00 0.00 2.15 0.00 0.00 33.22 34.71 2crm n MET 68 CO 0.00 0.00 0.00 0.44 -0.73 0.00 0.00 175.97 175.68 2crm n ILE 69 N 0.25 0.00 -3.84 1.12 -5.35 -1.20 -4.92 119.36 105.42 2crm n ILE 69 Ca 0.16 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.56 2crm n ILE 69 Cb 0.25 -0.34 -0.07 0.00 -1.74 0.00 0.00 39.64 37.74 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 -1.47 0.12 -0.18 4.28 6.14 -1.26 -5.07 117.35 119.90 2crm s TYR 70 Ca 0.00 -0.53 -0.22 0.00 0.64 0.00 0.00 57.07 56.96 2crm s TYR 70 Cb 0.00 -0.03 0.06 0.00 0.42 0.00 0.00 41.96 42.41 2crm s TYR 70 CO 0.00 -0.56 0.59 -1.54 0.64 0.00 0.00 175.55 174.68 2crm s SER 71 N -2.84 -0.60 0.00 4.32 1.04 -1.26 -3.41 113.70 110.95 2crm s SER 71 Ca 0.05 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.52 2crm s SER 71 Cb 0.04 1.05 0.00 0.00 0.10 0.00 0.00 66.02 67.21 2crm s SER 71 CO -0.11 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2crm n GLY 72 N 2.36 -0.57 0.46 7.32 0.00 -1.25 -5.03 105.19 108.48 2crm n GLY 72 Ca -0.15 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.13 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 1.66 -0.98 4.61 0.00 -1.26 -0.65 120.51 123.88 2crm n ALA 73 Ca 0.00 -0.46 -0.36 0.00 0.00 0.00 0.00 53.44 52.63 2crm n ALA 73 Cb 0.00 0.10 0.05 0.00 0.00 0.00 0.00 19.45 19.60 2crm n ALA 73 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2crm n THR 74 N -3.90 0.00 -1.45 0.00 5.66 -1.26 -4.41 114.28 108.92 2crm n THR 74 Ca -0.07 -0.47 -0.32 0.00 -3.05 0.00 0.00 64.05 60.13 2crm n THR 74 Cb 0.28 -0.06 0.07 0.00 -1.55 0.00 0.00 70.33 69.07 2crm n THR 74 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2crm n ARG 75 N 2.09 2.83 -3.68 1.09 1.74 -1.26 -4.78 116.66 114.69 2crm n ARG 75 Ca -0.01 -3.44 -0.09 0.00 -0.77 0.00 0.00 57.85 53.54 2crm n ARG 75 Cb 0.56 -2.28 -0.10 0.00 -1.02 0.00 0.00 32.46 29.62 2crm n ARG 75 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2crm s GLU 76 N -3.76 0.42 0.06 5.56 2.02 -1.26 -1.51 118.70 120.23 2crm s GLU 76 Ca 0.62 0.92 0.00 0.00 0.02 0.00 0.00 54.97 56.53 2crm s GLU 76 Cb 0.49 0.10 -0.04 0.00 0.10 0.00 0.00 34.13 34.79 2crm s GLU 76 CO 0.00 -0.18 -0.04 -3.38 0.02 0.00 0.00 175.26 171.68 2crm s HIS 77 N 1.75 0.58 -0.19 1.61 -3.43 -0.71 -4.98 115.29 109.92 2crm s HIS 77 Ca -0.08 -0.88 -0.13 0.00 -0.80 0.00 0.00 55.06 53.18 2crm s HIS 77 Cb -0.09 -0.38 -0.05 0.00 -1.43 0.00 0.00 32.58 30.63 2crm s HIS 77 CO -0.14 -0.26 0.25 -1.17 -2.00 0.00 0.00 174.74 171.42 2crm s LEU 78 N -2.54 4.21 -0.91 5.38 2.96 -1.26 -1.04 118.68 125.47 2crm s LEU 78 Ca 0.02 0.39 -0.17 0.00 -0.22 0.00 0.00 54.13 54.14 2crm s LEU 78 Cb 0.02 -2.29 0.15 0.00 0.50 0.00 0.00 46.19 44.58 2crm s LEU 78 CO -0.06 0.09 1.05 0.00 -1.32 0.00 0.00 176.35 176.11 2crm s ASP 80 N 3.26 4.09 -1.49 0.00 -4.77 -1.26 -3.30 116.67 113.19 2crm s ASP 80 Ca 0.30 -0.30 -0.05 0.00 -3.30 0.00 0.00 52.55 49.19 2crm s ASP 80 Cb -0.06 0.01 0.01 0.00 -1.09 0.00 0.00 42.92 41.78 2crm s ASP 80 CO -0.09 -2.05 0.72 0.54 0.70 0.00 0.00 175.17 174.99 2crm n ARG 81 N -3.01 -5.45 -2.17 2.11 1.74 -1.26 -5.00 116.66 103.62 2crm n ARG 81 Ca 0.16 0.88 -0.14 0.00 -0.77 0.00 0.00 57.85 57.98 2crm n ARG 81 Cb 0.60 -5.74 0.06 0.00 -1.02 0.00 0.00 32.46 26.37 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 -4.15 0.00 -3.77 0.55 4.77 -1.21 -5.09 117.00 108.10 2crm n LEU 82 Ca -0.09 -1.57 -0.13 0.00 -0.03 0.00 0.00 56.01 54.19 2crm n LEU 82 Cb 0.61 -0.33 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 2crm n LEU 82 CO 0.50 -0.70 -0.15 0.54 -1.33 0.00 0.00 177.39 176.25 2crm s ASN 83 N -3.49 -0.21 0.70 -1.43 2.20 -1.26 -4.70 114.94 106.74 2crm s ASN 83 Ca 0.42 0.43 -0.13 0.00 -0.94 0.00 0.00 52.86 52.63 2crm s ASN 83 Cb -0.03 0.37 0.02 0.00 -2.00 0.00 0.00 41.25 39.61 2crm s ASN 83 CO 0.27 -0.12 1.10 -2.16 -2.94 0.00 0.00 177.10 173.26 2crm s PRO 84 N 0.68 2.61 -1.34 3.55 0.04 -1.23 -3.82 135.00 135.49 2crm s PRO 84 Ca -0.05 1.31 -0.07 0.00 0.04 0.00 0.00 61.00 62.24 2crm s PRO 84 Cb -0.06 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.56 2crm s PRO 84 CO -0.04 -1.39 1.09 0.41 0.04 0.00 0.00 177.00 177.11 2crm n GLY 85 N -0.76 -0.48 3.47 0.56 0.00 -0.57 -4.76 105.19 102.65 2crm n GLY 85 Ca 0.10 0.20 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 -3.91 2.37 -0.29 0.00 0.40 -1.26 -2.95 117.98 112.34 2crm s PHE 87 Ca 0.12 -0.21 -0.19 0.00 -0.60 0.00 0.00 56.93 56.05 2crm s PHE 87 Cb 0.00 -2.71 0.15 0.00 0.51 0.00 0.00 43.02 40.98 2crm s PHE 87 CO -0.01 -1.06 1.06 0.71 0.70 0.00 0.00 175.22 176.62 2crm s TYR 88 N -2.80 -0.45 -0.08 0.36 2.02 -1.25 -3.15 117.35 112.01 2crm s TYR 88 Ca 0.60 0.95 -0.01 0.00 -0.37 0.00 0.00 57.07 58.24 2crm s TYR 88 Cb -0.09 0.33 -0.03 0.00 -0.40 0.00 0.00 41.96 41.77 2crm s TYR 88 CO 0.39 -0.22 -0.02 1.03 -1.57 0.00 0.00 175.55 175.17 2crm s ARG 89 N 0.89 2.91 0.01 -0.62 3.00 -1.18 -2.97 118.95 120.99 2crm s ARG 89 Ca -0.04 -0.45 -0.00 0.00 0.00 0.00 0.00 55.73 55.23 2crm s ARG 89 Cb -0.04 -2.73 -0.01 0.00 0.00 0.00 0.00 34.95 32.16 2crm s ARG 89 CO -0.12 0.69 -0.01 -0.51 0.00 0.00 0.00 175.30 175.34 2crm s LEU 90 N -0.90 2.15 -0.09 2.53 1.02 -1.20 -0.07 118.68 122.11 2crm s LEU 90 Ca 0.13 -0.36 -0.06 0.00 0.02 0.00 0.00 54.13 53.87 2crm s LEU 90 Cb -0.11 0.10 0.04 0.00 0.02 0.00 0.00 46.19 46.24 2crm s LEU 90 CO 0.02 -0.23 0.23 -0.13 0.02 0.00 0.00 176.35 176.27 2crm s ARG 91 N -1.08 0.21 -0.01 1.70 0.52 -0.15 -0.70 118.95 119.44 2crm s ARG 91 Ca -0.12 0.44 0.03 0.00 -0.52 0.00 0.00 55.73 55.57 2crm s ARG 91 Cb -0.07 -0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.31 2crm s ARG 91 CO -0.01 -0.12 -0.07 0.08 0.02 0.00 0.00 175.30 175.20 2crm s VAL 92 N 0.89 3.62 0.04 3.52 1.01 -1.26 -0.22 120.40 128.00 2crm s VAL 92 Ca -0.06 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 2crm s VAL 92 Cb -0.08 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.78 2crm s VAL 92 CO -0.05 0.43 0.39 -0.72 0.00 0.00 0.00 175.10 175.14 2crm s TYR 93 N -0.96 -0.23 0.09 5.22 -0.85 -1.00 -2.88 117.35 116.74 2crm s TYR 93 Ca 0.16 0.17 0.01 0.00 -0.52 0.00 0.00 57.07 56.89 2crm s TYR 93 Cb -0.11 0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.38 2crm s TYR 93 CO 0.06 -0.56 0.20 0.00 -1.52 0.00 0.00 175.55 173.74 2crm s ILE 95 N -1.55 2.87 0.50 0.00 1.01 -0.89 -2.91 121.20 120.23 2crm s ILE 95 Ca 0.34 -1.06 0.05 0.00 0.00 0.00 0.00 60.65 59.98 2crm s ILE 95 Cb -0.12 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.91 2crm s ILE 95 CO 0.27 0.18 0.69 -0.94 0.00 0.00 0.00 174.94 175.14 2crm s SER 96 N 1.32 5.38 -0.66 3.58 1.04 0.12 -3.10 113.70 121.37 2crm s SER 96 Ca -0.00 -0.31 -0.27 0.00 0.48 0.00 0.00 55.95 55.85 2crm s SER 96 Cb -0.17 -0.60 -0.26 0.00 0.10 0.00 0.00 66.02 65.09 2crm s SER 96 CO -0.04 -1.03 1.87 -0.67 0.98 0.00 0.00 173.24 174.35 2crm n ASP 97 N -2.13 1.65 0.00 7.02 2.03 -1.26 -1.94 116.55 121.92 2crm n ASP 97 Ca 0.09 -2.55 0.00 0.00 0.52 0.00 0.00 54.79 52.85 2crm n ASP 97 Cb 0.60 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 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 5.43 0.00 0.00 0.27 0.00 -1.26 -4.96 105.19 104.67 2crm n GLY 98 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.88 3.63 -0.02 0.00 -0.82 -5.06 105.19 102.04 2crm n GLY 99 Ca 0.00 -2.18 -0.25 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.08 2.07 0.47 1.61 0.00 -1.26 0.12 119.66 122.58 2crm s GLN 100 Ca 0.00 -1.78 0.07 0.00 -0.00 0.00 0.00 55.36 53.65 2crm s GLN 100 Cb 0.00 -1.91 0.03 0.00 0.00 0.00 0.00 33.01 31.13 2crm s GLN 100 CO 0.00 0.11 0.64 -1.54 0.00 0.00 0.00 175.29 174.50 2crm s SER 101 N -3.72 5.49 0.39 12.60 1.04 -1.14 -4.94 113.70 123.42 2crm s SER 101 Ca 0.35 -0.45 -0.16 0.00 0.48 0.00 0.00 55.95 56.18 2crm s SER 101 Cb 0.01 -0.50 -0.13 0.00 0.10 0.00 0.00 66.02 65.50 2crm s SER 101 CO 0.19 -0.93 -0.05 0.00 0.98 0.00 0.00 173.24 173.44 2crm n ALA 102 N -1.99 -2.76 -2.20 5.32 0.00 -1.26 -4.75 120.51 112.86 2crm n ALA 102 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.25 2crm n ALA 102 Cb 0.60 -1.18 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 -1.57 4.84 0.15 0.00 -7.23 -1.26 -4.77 120.40 110.55 2crm s VAL 103 Ca 0.47 0.42 -0.13 0.00 -1.81 0.00 0.00 61.98 60.94 2crm s VAL 103 Cb -0.44 -3.82 -0.07 0.00 0.56 0.00 0.00 36.38 32.61 2crm s VAL 103 CO 0.54 -0.75 0.53 -0.94 -0.31 0.00 0.00 175.10 174.16 2crm s SER 104 N -3.75 6.77 0.76 4.85 1.04 -1.14 -5.00 113.70 117.22 2crm s SER 104 Ca 0.50 1.01 -0.16 0.00 0.48 0.00 0.00 55.95 57.78 2crm s SER 104 Cb -0.10 -2.26 -0.14 0.00 0.10 0.00 0.00 66.02 63.62 2crm s SER 104 CO 0.41 0.09 -0.52 -0.62 0.98 0.00 0.00 173.24 173.57 2crm n GLU 105 N 0.70 0.00 -2.70 4.02 1.02 -1.26 -4.44 120.64 117.98 2crm n GLU 105 Ca -0.05 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.75 2crm n GLU 105 Cb 0.52 -0.91 -0.05 0.00 -0.02 0.00 0.00 31.44 30.98 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 -0.91 6.69 -0.42 1.62 0.15 -1.26 -4.59 113.70 114.98 2crm s SER 106 Ca 0.42 1.80 -0.04 0.00 0.70 0.00 0.00 55.95 58.82 2crm s SER 106 Cb -0.26 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 61.61 2crm s SER 106 CO 0.70 -0.54 0.23 -0.22 1.20 0.00 0.00 173.24 174.61 2crm s LEU 107 N -3.29 5.31 -0.37 3.45 2.96 0.12 -4.84 118.68 122.02 2crm s LEU 107 Ca 0.64 -1.97 -0.25 0.00 -0.22 0.00 0.00 54.13 52.33 2crm s LEU 107 Cb -0.12 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.71 2crm s LEU 107 CO 0.16 -0.57 0.88 -0.22 -1.32 0.00 0.00 176.35 175.28 2crm s LEU 108 N 1.20 4.04 -0.14 -0.68 1.98 -1.25 -3.27 118.68 120.55 2crm s LEU 108 Ca 0.07 0.48 0.00 0.00 -2.89 0.00 0.00 54.13 51.79 2crm s LEU 108 Cb -0.23 -3.18 0.02 0.00 0.66 0.00 0.00 46.19 43.46 2crm s LEU 108 CO -0.03 -0.83 -0.13 -0.69 -1.89 0.00 0.00 176.35 172.78 2crm s VAL 109 N 3.37 1.46 -0.33 1.68 1.01 -1.16 -4.98 120.40 121.45 2crm s VAL 109 Ca 0.36 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 2crm s VAL 109 Cb -0.12 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 2crm s VAL 109 CO 0.19 0.44 0.55 -1.58 0.00 0.00 0.00 175.10 174.69 2crm s GLN 110 N 1.51 3.75 0.55 2.72 -0.44 -1.26 -3.86 119.66 122.63 2crm s GLN 110 Ca 0.05 0.01 -0.16 0.00 -2.50 0.00 0.00 55.36 52.76 2crm s GLN 110 Cb -0.13 -3.77 -0.06 0.00 -1.64 0.00 0.00 33.01 27.41 2crm s GLN 110 CO -0.10 -0.59 1.02 0.95 0.50 0.00 0.00 175.29 177.07 2crm s THR 111 N 2.45 4.15 -0.05 -0.34 -4.23 -1.15 -4.95 115.64 111.52 2crm s THR 111 Ca 0.21 1.05 -0.30 0.00 -1.18 0.00 0.00 61.69 61.47 2crm s THR 111 Cb -0.15 -3.55 -0.05 0.00 1.34 0.00 0.00 72.50 70.09 2crm s THR 111 CO 0.13 -0.58 1.49 -2.16 -0.54 0.00 0.00 174.62 172.96 2crm s PRO 112 N -4.02 4.22 -0.29 3.99 0.04 -1.26 -1.52 135.00 136.16 2crm s PRO 112 Ca 0.62 2.01 -0.29 0.00 0.04 0.00 0.00 61.00 63.38 2crm s PRO 112 Cb -0.13 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.62 2crm s PRO 112 CO 0.33 -0.73 1.31 0.00 0.04 0.00 0.00 177.00 177.96 2crm s ALA 113 N 3.34 3.36 0.62 8.56 0.00 -1.26 -3.65 121.76 132.73 2crm s ALA 113 Ca 0.66 0.12 -0.13 0.00 0.00 0.00 0.00 51.96 52.62 2crm s ALA 113 Cb -0.31 -3.77 -0.03 0.00 0.00 0.00 0.00 23.12 19.01 2crm s ALA 113 CO 0.25 -1.77 1.04 0.14 0.00 0.00 0.00 175.76 175.42 2crm s VAL 114 N 4.39 4.31 0.43 0.00 -7.23 -1.26 -4.90 120.40 116.14 2crm s VAL 114 Ca 0.57 0.86 -0.24 0.00 -1.81 0.00 0.00 61.98 61.36 2crm s VAL 114 Cb -0.17 -3.61 -0.11 0.00 0.56 0.00 0.00 36.38 33.06 2crm s VAL 114 CO 0.23 -0.87 0.93 -1.54 -0.31 0.00 0.00 175.10 173.54 2crm n SER 115 N -2.56 0.86 -4.18 4.85 3.41 -1.26 -4.92 113.62 109.81 2crm n SER 115 Ca 0.07 1.00 -0.31 0.00 -0.26 0.00 0.00 58.87 59.37 2crm n SER 115 Cb 0.54 -1.31 0.18 0.00 -0.26 0.00 0.00 64.21 63.35 2crm n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2crm n GLY 116 N 1.30 -2.54 3.73 5.00 0.00 -1.26 -4.89 105.19 106.53 2crm n GLY 116 Ca 0.10 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 -3.50 4.36 -0.31 1.61 0.04 -1.26 -5.02 135.00 130.93 2crm s PRO 117 Ca 0.55 2.04 0.01 0.00 0.04 0.00 0.00 61.00 63.63 2crm s PRO 117 Cb -0.11 -3.22 0.10 0.00 0.04 0.00 0.00 34.50 31.30 2crm s PRO 117 CO 0.63 -0.32 0.07 -1.12 0.04 0.00 0.00 177.00 176.30 2crm s SER 118 N 0.68 4.19 -0.85 6.66 0.01 -1.26 -5.07 113.70 118.07 2crm s SER 118 Ca 0.60 -1.73 -0.15 0.00 1.31 0.00 0.00 55.95 55.98 2crm s SER 118 Cb -0.36 -1.08 0.19 0.00 0.21 0.00 0.00 66.02 64.98 2crm s SER 118 CO 0.34 -0.39 0.86 -0.94 0.41 0.00 0.00 173.24 173.52 2crm s SER 119 N 1.42 6.72 0.00 2.44 1.04 -1.26 -5.30 113.70 118.76 2crm s SER 119 Ca 0.09 -2.50 0.00 0.00 0.48 0.00 0.00 55.95 54.02 2crm s SER 119 Cb -0.18 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2crm s SER 119 CO -0.19 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 173.93