#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 5.74 -0.16 1.61 0.15 -1.26 -4.98 113.70 114.80 2crm s SER 2 Ca 0.00 -0.36 -0.24 0.00 0.70 0.00 0.00 55.95 56.05 2crm s SER 2 Cb 0.00 -0.82 -0.24 0.00 -1.71 0.00 0.00 66.02 63.26 2crm s SER 2 CO 0.00 -0.67 0.53 -1.28 1.20 0.00 0.00 173.24 173.01 2crm h SER 3 N 0.71 0.07 -5.37 5.45 0.87 -2.09 -3.49 113.55 109.69 2crm h SER 3 Ca -0.42 -0.78 -0.14 0.00 -1.23 0.00 0.00 61.79 59.22 2crm h SER 3 Cb 1.27 -0.02 -0.10 0.00 -0.44 0.00 0.00 62.40 63.11 2crm h SER 3 CO 0.47 1.29 -0.26 -0.83 -0.53 0.00 0.00 176.83 176.98 2crm s GLY 4 N -4.58 0.92 -0.16 5.77 0.00 -1.26 -5.17 107.32 102.83 2crm s GLY 4 Ca -0.23 -1.19 -0.14 0.00 0.00 0.00 0.00 44.72 43.16 2crm s GLY 4 CO 0.67 -0.88 0.43 -1.35 0.00 0.00 0.00 173.10 171.97 2crm s SER 5 N -3.09 -0.46 0.26 1.64 1.04 -1.26 -5.17 113.70 106.66 2crm s SER 5 Ca 0.28 0.88 -0.18 0.00 0.48 0.00 0.00 55.95 57.40 2crm s SER 5 Cb 0.01 0.87 0.01 0.00 0.10 0.00 0.00 66.02 67.02 2crm s SER 5 CO 0.12 -0.16 0.63 -0.44 0.98 0.00 0.00 173.24 174.37 2crm s SER 6 N 0.37 -0.22 -0.42 7.02 0.01 -1.26 -5.13 113.70 114.06 2crm s SER 6 Ca -0.01 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 56.61 2crm s SER 6 Cb -0.04 0.67 0.12 0.00 0.21 0.00 0.00 66.02 66.99 2crm s SER 6 CO -0.01 -1.26 0.17 -0.83 0.41 0.00 0.00 173.24 171.72 2crm s GLY 7 N -2.94 2.00 -0.18 3.44 0.00 -1.26 -5.08 107.32 103.29 2crm s GLY 7 Ca 0.14 -2.74 -0.03 0.00 0.00 0.00 0.00 44.72 42.09 2crm s GLY 7 CO 0.06 1.15 -0.06 -1.34 0.00 0.00 0.00 173.10 172.91 2crm s VAL 8 N 0.42 3.45 -0.12 1.40 -7.23 -1.26 -5.11 120.40 111.94 2crm s VAL 8 Ca 0.14 -0.49 -0.06 0.00 -1.81 0.00 0.00 61.98 59.76 2crm s VAL 8 Cb -0.23 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2crm s VAL 8 CO -0.05 0.46 0.09 0.68 -0.31 0.00 0.00 175.10 175.97 2crm s VAL 9 N 0.92 5.10 -0.18 1.32 -7.23 -1.26 -5.10 120.40 113.97 2crm s VAL 9 Ca -0.01 0.06 -0.16 0.00 -1.81 0.00 0.00 61.98 60.06 2crm s VAL 9 Cb -0.15 -3.22 0.05 0.00 0.56 0.00 0.00 36.38 33.62 2crm s VAL 9 CO 0.01 0.58 0.47 -1.61 -0.31 0.00 0.00 175.10 174.24 2crm s GLU 10 N -0.71 0.55 -1.37 4.82 2.02 -1.26 -5.07 118.70 117.68 2crm s GLU 10 Ca 0.13 0.66 -0.08 0.00 0.02 0.00 0.00 54.97 55.70 2crm s GLU 10 Cb -0.12 0.26 0.10 0.00 0.10 0.00 0.00 34.13 34.47 2crm s GLU 10 CO 0.03 -0.07 2.31 1.97 0.02 0.00 0.00 175.26 179.51 2crm n PHE 11 N 2.88 2.74 0.94 1.61 -1.74 -1.26 -4.66 117.46 117.96 2crm n PHE 11 Ca -0.14 -2.86 0.09 0.00 -0.56 0.00 0.00 57.45 53.98 2crm n PHE 11 Cb 0.57 -2.02 0.48 0.00 1.52 0.00 0.00 39.48 40.02 2crm n PHE 11 CO 0.00 0.00 0.00 -2.37 -0.56 0.00 0.00 176.76 173.83 2crm n THR 12 N 2.75 0.34 -3.82 1.97 5.66 -1.26 -4.45 114.28 115.47 2crm n THR 12 Ca 0.57 0.09 -0.36 0.00 -3.05 0.00 0.00 64.05 61.30 2crm n THR 12 Cb 0.29 -0.79 -0.13 0.00 -1.55 0.00 0.00 70.33 68.16 2crm n THR 12 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2crm s THR 13 N -2.42 3.29 0.10 1.09 -4.23 -1.26 -4.98 115.64 107.22 2crm s THR 13 Ca 0.20 -1.58 -0.35 0.00 -1.18 0.00 0.00 61.69 58.77 2crm s THR 13 Cb 0.12 -3.03 -0.16 0.00 1.34 0.00 0.00 72.50 70.78 2crm s THR 13 CO 0.26 -0.35 1.56 0.00 -0.54 0.00 0.00 174.62 175.55 2crm n PRO 15 N -5.52 -1.14 -2.48 0.00 -0.04 -1.26 -5.05 135.00 119.50 2crm n PRO 15 Ca -0.10 -0.09 -0.26 0.00 -0.04 0.00 0.00 63.50 63.01 2crm n PRO 15 Cb 0.44 -0.09 0.03 0.00 -0.04 0.00 0.00 33.50 33.84 2crm n PRO 15 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2crm s ASP 16 N -1.67 5.54 0.30 3.54 1.11 -1.26 -4.99 116.67 119.24 2crm s ASP 16 Ca 0.04 0.58 -0.28 0.00 0.18 0.00 0.00 52.55 53.07 2crm s ASP 16 Cb -0.00 -1.58 -0.09 0.00 1.07 0.00 0.00 42.92 42.32 2crm s ASP 16 CO 0.03 -1.06 1.00 -0.54 1.18 0.00 0.00 175.17 175.78 2crm s LYS 17 N -4.93 4.60 0.00 8.23 1.02 -1.26 -3.51 119.74 123.89 2crm s LYS 17 Ca 0.54 1.53 0.14 0.00 0.02 0.00 0.00 55.97 58.20 2crm s LYS 17 Cb -0.10 -2.99 0.68 0.00 -0.52 0.00 0.00 37.83 34.89 2crm s LYS 17 CO 0.44 0.26 1.43 -0.35 -0.92 0.00 0.00 175.35 176.20 2crm n PRO 18 N 0.87 0.11 -0.83 -1.68 -0.04 -1.26 -4.36 135.00 127.81 2crm n PRO 18 Ca 0.01 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2crm n PRO 18 Cb 0.48 -1.50 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 -0.03 -1.94 3.43 0.55 0.00 -1.26 -4.42 105.19 101.52 2crm n GLY 19 Ca 0.05 -0.64 -0.49 0.00 0.00 0.00 0.00 46.02 44.94 2crm n GLY 19 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2crm n ILE 20 N 0.64 1.73 -1.07 -0.61 5.41 -1.26 -4.67 119.36 119.54 2crm n ILE 20 Ca 0.00 -0.43 -0.30 0.00 1.00 0.00 0.00 62.75 63.01 2crm n ILE 20 Cb 0.00 -0.10 0.25 0.00 -0.71 0.00 0.00 39.64 39.08 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 -0.90 -1.47 -0.08 0.38 0.04 -1.26 -4.64 135.00 127.07 2crm s PRO 21 Ca 0.67 -0.15 -0.18 0.00 0.04 0.00 0.00 61.00 61.38 2crm s PRO 21 Cb -0.95 -1.58 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 2crm s PRO 21 CO 0.56 -3.86 0.49 0.08 0.04 0.00 0.00 177.00 174.32 2crm s VAL 22 N -3.01 5.10 -0.05 -0.36 1.01 -0.59 -4.87 120.40 117.63 2crm s VAL 22 Ca 0.72 1.00 -0.40 0.00 0.00 0.00 0.00 61.98 63.30 2crm s VAL 22 Cb -0.08 -3.83 -0.19 0.00 0.00 0.00 0.00 36.38 32.28 2crm s VAL 22 CO 0.56 0.38 1.21 1.17 0.00 0.00 0.00 175.10 178.42 2crm n LYS 23 N 3.20 0.27 -2.13 2.72 0.00 -1.26 -3.76 118.16 117.19 2crm n LYS 23 Ca -0.08 0.10 -0.43 0.00 0.00 0.00 0.00 58.31 57.90 2crm n LYS 23 Cb 0.52 -1.63 -0.03 0.00 0.00 0.00 0.00 35.03 33.89 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 0.56 4.01 0.28 1.64 0.04 -1.26 -4.60 135.00 135.67 2crm s PRO 24 Ca 0.92 1.84 0.07 0.00 0.04 0.00 0.00 61.00 63.86 2crm s PRO 24 Cb -1.23 -3.97 -0.03 0.00 0.04 0.00 0.00 34.50 29.32 2crm s PRO 24 CO 0.58 -1.03 0.29 -1.12 0.04 0.00 0.00 177.00 175.76 2crm s SER 25 N 3.50 5.69 0.34 6.66 0.01 -0.93 -4.85 113.70 124.12 2crm s SER 25 Ca 0.69 -0.24 -0.22 0.00 1.31 0.00 0.00 55.95 57.50 2crm s SER 25 Cb -0.27 -1.37 -0.10 0.00 0.21 0.00 0.00 66.02 64.49 2crm s SER 25 CO 0.27 -0.18 0.87 -0.69 0.41 0.00 0.00 173.24 173.92 2crm s VAL 26 N -2.15 4.41 -0.30 3.43 1.01 -1.26 -1.60 120.40 123.93 2crm s VAL 26 Ca 0.37 1.49 -0.01 0.00 0.00 0.00 0.00 61.98 63.82 2crm s VAL 26 Cb -0.08 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.60 2crm s VAL 26 CO 0.27 -0.04 0.09 -0.75 0.00 0.00 0.00 175.10 174.67 2crm s LYS 27 N -2.52 0.71 0.00 2.72 2.20 -1.21 -4.92 119.74 116.72 2crm s LYS 27 Ca 0.53 -1.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.14 2crm s LYS 27 Cb -0.14 -1.99 0.00 0.00 -1.51 0.00 0.00 37.83 34.19 2crm s LYS 27 CO 0.19 -0.95 0.00 0.41 -0.36 0.00 0.00 175.35 174.64 2crm n GLY 28 N 4.87 0.28 3.79 5.54 0.00 -1.26 -4.78 105.19 113.64 2crm n GLY 28 Ca -0.03 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 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 3.82 -0.58 1.61 2.36 -1.26 -5.06 119.74 120.63 2crm s LYS 29 Ca 0.00 -0.19 -0.21 0.00 -2.55 0.00 0.00 55.97 53.02 2crm s LYS 29 Cb 0.00 -3.29 0.07 0.00 -1.05 0.00 0.00 37.83 33.55 2crm s LYS 29 CO 0.00 0.52 0.83 0.42 1.55 0.00 0.00 175.35 178.67 2crm s ILE 30 N -0.29 4.57 1.34 5.43 1.01 -1.26 -4.81 121.20 127.18 2crm s ILE 30 Ca 0.11 -0.34 -0.19 0.00 0.00 0.00 0.00 60.65 60.23 2crm s ILE 30 Cb -0.12 -4.52 0.35 0.00 0.01 0.00 0.00 42.46 38.18 2crm s ILE 30 CO 0.01 -1.15 0.95 -2.28 0.00 0.00 0.00 174.94 172.47 2crm s HIS 31 N 3.43 0.15 0.11 3.97 2.46 -0.75 -4.61 115.29 120.04 2crm s HIS 31 Ca 0.21 0.86 -0.35 0.00 0.47 0.00 0.00 55.06 56.24 2crm s HIS 31 Cb -0.18 -2.93 -0.14 0.00 -0.13 0.00 0.00 32.58 29.20 2crm s HIS 31 CO 0.12 -4.66 1.56 1.03 -2.47 0.00 0.00 174.74 170.31 2crm h SER 32 N -3.20 -1.61 -1.45 9.88 0.87 -1.97 -3.33 113.55 112.75 2crm h SER 32 Ca -0.53 0.17 -0.45 0.00 -1.23 0.00 0.00 61.79 59.75 2crm h SER 32 Cb 1.34 0.60 -0.41 0.00 -0.44 0.00 0.00 62.40 63.49 2crm h SER 32 CO 0.38 -0.56 -1.06 0.00 -0.53 0.00 0.00 176.83 175.06 2crm n HIS 33 N -5.48 1.60 -3.27 2.24 1.44 -1.26 -3.75 115.22 106.74 2crm n HIS 33 Ca -0.08 -3.21 0.03 0.00 -2.01 0.00 0.00 57.72 52.45 2crm n HIS 33 Cb 0.41 -0.34 -0.04 0.00 0.12 0.00 0.00 29.99 30.14 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 -3.06 -0.28 -0.08 4.39 1.04 -1.25 -3.75 113.70 110.71 2crm s SER 34 Ca 0.36 0.37 -0.20 0.00 0.48 0.00 0.00 55.95 56.96 2crm s SER 34 Cb 0.41 1.31 0.04 0.00 0.10 0.00 0.00 66.02 67.88 2crm s SER 34 CO -0.05 -0.05 0.47 0.72 0.98 0.00 0.00 173.24 175.31 2crm s PHE 35 N 2.23 -0.43 -0.08 5.02 -0.12 -1.22 -1.81 117.98 121.58 2crm s PHE 35 Ca -0.01 0.84 -0.14 0.00 -0.05 0.00 0.00 56.93 57.58 2crm s PHE 35 Cb -0.03 0.21 -0.05 0.00 -0.63 0.00 0.00 43.02 42.52 2crm s PHE 35 CO -0.17 -0.41 0.34 0.15 -0.05 0.00 0.00 175.22 175.08 2crm s LYS 36 N -0.78 4.00 -0.01 1.99 3.01 -1.26 -0.58 119.74 126.11 2crm s LYS 36 Ca -0.08 0.23 0.07 0.00 -1.01 0.00 0.00 55.97 55.17 2crm s LYS 36 Cb -0.03 -3.30 -0.03 0.00 -1.01 0.00 0.00 37.83 33.46 2crm s LYS 36 CO 0.05 0.50 -0.21 0.96 0.51 0.00 0.00 175.35 177.16 2crm s ILE 37 N -0.40 2.50 -0.05 2.17 -4.36 0.03 -3.34 121.20 117.75 2crm s ILE 37 Ca 0.20 -1.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.55 2crm s ILE 37 Cb -0.15 -1.95 0.02 0.00 1.25 0.00 0.00 42.46 41.63 2crm s ILE 37 CO 0.09 0.51 -0.02 0.28 0.24 0.00 0.00 174.94 176.03 2crm s THR 38 N -0.73 0.39 0.37 8.37 -1.32 -0.63 -2.10 115.64 119.99 2crm s THR 38 Ca 0.12 -0.01 0.08 0.00 -1.21 0.00 0.00 61.69 60.67 2crm s THR 38 Cb -0.10 -0.47 -0.04 0.00 -1.51 0.00 0.00 72.50 70.38 2crm s THR 38 CO 0.01 0.21 0.24 -1.66 -2.21 0.00 0.00 174.62 171.20 2crm s TRP 39 N 1.17 2.74 0.17 9.09 -2.14 -1.10 -2.18 118.94 126.69 2crm s TRP 39 Ca -0.07 -0.42 0.06 0.00 2.66 0.00 0.00 56.10 58.33 2crm s TRP 39 Cb -0.14 -1.84 -0.04 0.00 -3.10 0.00 0.00 33.47 28.35 2crm s TRP 39 CO -0.02 0.18 0.09 -0.51 -2.66 0.00 0.00 176.95 174.04 2crm s ASP 40 N -3.95 5.29 0.88 -2.66 1.01 -1.25 -4.90 116.67 111.08 2crm s ASP 40 Ca 0.41 -0.21 -0.11 0.00 0.71 0.00 0.00 52.55 53.35 2crm s ASP 40 Cb -0.03 -1.31 0.12 0.00 1.01 0.00 0.00 42.92 42.71 2crm s ASP 40 CO 0.25 0.08 1.09 -2.16 0.21 0.00 0.00 175.17 174.63 2crm s PRO 41 N -3.05 1.41 0.40 8.23 0.04 -1.26 -1.54 135.00 139.22 2crm s PRO 41 Ca 0.30 0.87 -0.25 0.00 0.04 0.00 0.00 61.00 61.96 2crm s PRO 41 Cb -0.10 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 2crm s PRO 41 CO 0.22 -2.15 1.19 -1.25 0.04 0.00 0.00 177.00 175.05 2crm s PRO 42 N -4.93 4.06 0.34 0.56 0.04 -1.26 -4.52 135.00 129.29 2crm s PRO 42 Ca 0.63 1.90 0.13 0.00 0.04 0.00 0.00 61.00 63.70 2crm s PRO 42 Cb -0.18 -2.71 1.09 0.00 0.04 0.00 0.00 34.50 32.75 2crm s PRO 42 CO 0.57 -0.33 1.59 0.87 0.04 0.00 0.00 177.00 179.73 2crm h LYS 43 N 2.69 0.04 -1.97 4.56 1.57 -1.91 -3.41 116.57 118.14 2crm h LYS 43 Ca -0.49 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 2crm h LYS 43 Cb 1.24 -0.01 -0.21 0.00 0.08 0.00 0.00 32.23 33.33 2crm h LYS 43 CO 0.63 0.02 0.18 -0.51 -0.57 0.00 0.00 179.45 179.20 2crm s ASP 44 N -4.75 -0.70 0.24 0.86 1.11 -1.26 -5.17 116.67 107.01 2crm s ASP 44 Ca -0.11 1.18 -0.08 0.00 0.18 0.00 0.00 52.55 53.73 2crm s ASP 44 Cb 0.32 1.14 -0.06 0.00 1.07 0.00 0.00 42.92 45.39 2crm s ASP 44 CO 0.78 -0.35 0.53 0.21 1.18 0.00 0.00 175.17 177.52 2crm s ASN 45 N -0.11 6.55 0.00 0.27 2.47 -1.26 -4.69 114.94 118.17 2crm s ASN 45 Ca -0.03 0.82 0.00 0.00 0.42 0.00 0.00 52.86 54.07 2crm s ASN 45 Cb -0.03 -2.19 0.00 0.00 -1.45 0.00 0.00 41.25 37.58 2crm s ASN 45 CO 0.03 -0.10 0.00 0.61 -3.72 0.00 0.00 177.10 173.92 2crm n GLY 46 N -0.36 4.67 0.31 1.21 0.00 -1.26 -5.01 105.19 104.76 2crm n GLY 46 Ca -0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 1.15 -7.25 -0.02 0.00 -1.83 -3.38 103.07 91.75 2crm h GLY 47 Ca 0.00 -0.43 -0.56 0.00 0.00 0.00 0.00 47.33 46.34 2crm h GLY 47 CO 0.00 0.41 0.93 0.00 0.00 0.00 0.00 176.54 177.88 2crm s ALA 48 N -6.13 2.88 0.02 3.60 0.00 -1.23 -4.94 121.76 115.97 2crm s ALA 48 Ca -0.13 -1.33 -0.30 0.00 0.00 0.00 0.00 51.96 50.20 2crm s ALA 48 Cb 0.16 -4.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 2crm s ALA 48 CO 0.79 -3.03 1.04 0.95 0.00 0.00 0.00 175.76 175.51 2crm s THR 49 N 5.20 4.61 0.29 0.00 -4.23 -1.26 -4.24 115.64 116.03 2crm s THR 49 Ca 0.34 1.89 -0.30 0.00 -1.18 0.00 0.00 61.69 62.45 2crm s THR 49 Cb -0.10 -4.21 -0.12 0.00 1.34 0.00 0.00 72.50 69.41 2crm s THR 49 CO 0.17 0.16 1.53 -0.38 -0.54 0.00 0.00 174.62 175.55 2crm n ILE 50 N 3.83 1.17 -0.03 2.99 -0.00 -1.26 -4.18 119.36 121.88 2crm n ILE 50 Ca 0.07 -0.29 -0.05 0.00 -0.00 0.00 0.00 62.75 62.47 2crm n ILE 50 Cb 0.50 -1.84 -0.02 0.00 -0.00 0.00 0.00 39.64 38.28 2crm n ILE 50 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2crm n ASN 51 N 1.90 2.05 -3.88 4.38 2.85 -1.18 -4.98 115.26 116.40 2crm n ASN 51 Ca 0.08 0.02 -0.11 0.00 -0.11 0.00 0.00 54.58 54.46 2crm n ASN 51 Cb 0.36 -0.14 -0.10 0.00 1.24 0.00 0.00 39.78 41.14 2crm n ASN 51 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2crm s LYS 52 N -2.12 0.45 -0.48 1.20 2.20 -1.25 -4.84 119.74 114.90 2crm s LYS 52 Ca -0.08 -0.41 -0.01 0.00 -0.36 0.00 0.00 55.97 55.11 2crm s LYS 52 Cb 0.03 0.18 0.13 0.00 -1.51 0.00 0.00 37.83 36.66 2crm s LYS 52 CO 0.12 -0.10 0.26 0.71 -0.36 0.00 0.00 175.35 175.98 2crm s TYR 53 N -1.34 3.51 0.25 4.03 2.02 0.12 -1.85 117.35 124.09 2crm s TYR 53 Ca -0.14 -2.69 0.02 0.00 -0.37 0.00 0.00 57.07 53.88 2crm s TYR 53 Cb -0.08 -3.12 -0.04 0.00 -0.40 0.00 0.00 41.96 38.33 2crm s TYR 53 CO 0.01 -0.90 0.41 0.54 -1.57 0.00 0.00 175.55 174.04 2crm s VAL 54 N 0.57 5.21 0.07 0.71 0.11 -1.07 -2.81 120.40 123.18 2crm s VAL 54 Ca 0.12 -0.63 0.07 0.00 -2.93 0.00 0.00 61.98 58.62 2crm s VAL 54 Cb -0.22 -3.81 -0.03 0.00 -1.53 0.00 0.00 36.38 30.79 2crm s VAL 54 CO -0.04 -0.32 -0.19 -0.69 -3.33 0.00 0.00 175.10 170.53 2crm s VAL 55 N -2.01 1.56 -0.08 2.04 1.01 -0.28 -2.40 120.40 120.24 2crm s VAL 55 Ca 0.37 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 61.06 2crm s VAL 55 Cb -0.10 -1.40 0.01 0.00 0.00 0.00 0.00 36.38 34.89 2crm s VAL 55 CO 0.31 0.04 -0.14 -1.61 0.00 0.00 0.00 175.10 173.69 2crm s GLU 56 N -1.51 1.97 0.13 2.72 8.01 1.00 -2.88 118.70 128.13 2crm s GLU 56 Ca 0.05 -0.50 0.09 0.00 0.01 0.00 0.00 54.97 54.63 2crm s GLU 56 Cb -0.09 -1.61 -0.04 0.00 -4.31 0.00 0.00 34.13 28.08 2crm s GLU 56 CO 0.03 0.03 -0.19 1.41 0.01 0.00 0.00 175.26 176.54 2crm s MET 57 N 0.69 1.72 0.22 1.61 1.75 -1.09 0.49 119.30 124.69 2crm s MET 57 Ca -0.14 -1.24 0.07 0.00 -1.25 0.00 0.00 55.69 53.14 2crm s MET 57 Cb -0.16 -2.06 -0.05 0.00 2.84 0.00 0.00 34.83 35.40 2crm s MET 57 CO 0.04 0.47 -0.12 0.00 -0.65 0.00 0.00 175.02 174.75 2crm s ALA 58 N -1.20 2.03 -0.54 4.11 0.00 0.80 -2.28 121.76 124.68 2crm s ALA 58 Ca 0.18 -1.70 -0.27 0.00 0.00 0.00 0.00 51.96 50.17 2crm s ALA 58 Cb -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 2crm s ALA 58 CO 0.10 0.02 1.78 -1.21 0.00 0.00 0.00 175.76 176.45 2crm s GLU 59 N -3.67 2.88 0.14 0.00 2.02 -1.25 -3.41 118.70 115.41 2crm s GLU 59 Ca 0.24 0.76 0.00 0.00 0.02 0.00 0.00 54.97 55.98 2crm s GLU 59 Cb 0.00 -4.31 0.00 0.00 0.10 0.00 0.00 34.13 29.93 2crm s GLU 59 CO 0.07 -2.43 0.00 0.41 0.02 0.00 0.00 175.26 173.34 2crm n GLY 60 N 5.57 0.39 3.90 -1.39 0.00 -1.17 -4.32 105.19 108.18 2crm n GLY 60 Ca 0.20 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.24 2crm n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crm s SER 61 N -4.00 4.99 -1.39 1.61 0.01 -1.26 -3.98 113.70 109.67 2crm s SER 61 Ca 0.00 0.82 -0.06 0.00 1.31 0.00 0.00 55.95 58.02 2crm s SER 61 Cb 0.00 -1.50 0.03 0.00 0.21 0.00 0.00 66.02 64.77 2crm s SER 61 CO 0.00 -1.57 0.88 0.59 0.41 0.00 0.00 173.24 173.55 2crm n ASN 62 N -3.06 -3.13 -3.68 2.44 3.02 -1.26 -4.98 115.26 104.60 2crm n ASN 62 Ca 0.07 -0.76 -0.18 0.00 -0.03 0.00 0.00 54.58 53.68 2crm n ASN 62 Cb 0.59 -4.18 -0.17 0.00 -0.61 0.00 0.00 39.78 35.42 2crm n ASN 62 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2crm s GLY 63 N -3.86 0.12 -0.70 7.41 0.00 -1.26 -4.95 107.32 104.08 2crm s GLY 63 Ca 0.31 0.39 -0.02 0.00 0.00 0.00 0.00 44.72 45.40 2crm s GLY 63 CO 0.80 1.42 2.07 -2.01 0.00 0.00 0.00 173.10 175.38 2crm n ASN 64 N 5.13 7.51 -3.93 1.64 5.15 -1.26 -4.72 115.26 124.79 2crm n ASN 64 Ca -0.08 -3.73 -0.29 0.00 -0.60 0.00 0.00 54.58 49.88 2crm n ASN 64 Cb 0.50 -1.03 -0.13 0.00 -0.53 0.00 0.00 39.78 38.59 2crm n ASN 64 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2crm s LYS 65 N -3.68 2.19 0.07 1.20 1.02 -1.26 -5.01 119.74 114.27 2crm s LYS 65 Ca 0.58 -2.94 -0.10 0.00 0.02 0.00 0.00 55.97 53.53 2crm s LYS 65 Cb 0.46 -3.36 -0.06 0.00 -0.52 0.00 0.00 37.83 34.35 2crm s LYS 65 CO -0.16 -1.19 0.40 -1.58 -0.92 0.00 0.00 175.35 171.90 2crm s TRP 66 N -0.80 3.59 -0.11 3.18 0.52 -1.26 -3.90 118.94 120.16 2crm s TRP 66 Ca 0.20 0.81 -0.14 0.00 0.02 0.00 0.00 56.10 56.99 2crm s TRP 66 Cb -0.17 -2.17 0.04 0.00 -1.15 0.00 0.00 33.47 30.02 2crm s TRP 66 CO -0.07 0.53 0.38 -2.00 0.02 0.00 0.00 176.95 175.80 2crm s GLU 67 N -1.85 0.52 0.37 4.98 2.56 -0.97 -4.96 118.70 119.35 2crm s GLU 67 Ca 0.32 0.36 -0.28 0.00 0.00 0.00 0.00 54.97 55.38 2crm s GLU 67 Cb -0.14 0.25 -0.10 0.00 2.00 0.00 0.00 34.13 36.14 2crm s GLU 67 CO 0.18 -0.09 1.36 1.41 -0.56 0.00 0.00 175.26 177.56 2crm s MET 68 N -0.18 4.14 0.00 4.30 -2.45 -1.26 -2.66 119.30 121.18 2crm s MET 68 Ca -0.03 2.31 0.00 0.00 -1.25 0.00 0.00 55.69 56.71 2crm s MET 68 Cb -0.03 -2.93 0.00 0.00 1.25 0.00 0.00 34.83 33.12 2crm s MET 68 CO 0.02 -0.41 0.00 0.44 1.05 0.00 0.00 175.02 176.12 2crm n ILE 69 N 0.45 0.00 -3.74 10.11 -5.35 -1.14 -4.95 119.36 114.74 2crm n ILE 69 Ca 0.02 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.37 2crm n ILE 69 Cb 0.42 -0.30 -0.12 0.00 -1.74 0.00 0.00 39.64 37.89 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 -1.60 -0.37 -0.02 4.28 6.14 -1.26 -5.05 117.35 119.47 2crm s TYR 70 Ca 0.00 0.87 -0.00 0.00 0.64 0.00 0.00 57.07 58.58 2crm s TYR 70 Cb 0.00 0.11 0.03 0.00 0.42 0.00 0.00 41.96 42.52 2crm s TYR 70 CO 0.00 -0.23 0.03 -1.54 0.64 0.00 0.00 175.55 174.46 2crm s SER 71 N 0.93 0.06 0.00 4.32 1.04 -1.26 -1.12 113.70 117.67 2crm s SER 71 Ca -0.06 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.42 2crm s SER 71 Cb -0.07 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 65.99 2crm s SER 71 CO -0.06 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2crm n GLY 72 N 4.18 -0.87 0.03 7.32 0.00 -1.12 -4.96 105.19 109.75 2crm n GLY 72 Ca -0.28 -0.95 -0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.68 4.61 0.00 -1.88 0.35 119.26 121.66 2crm h ALA 73 Ca 0.00 -0.04 -0.49 0.00 0.00 0.00 0.00 54.91 54.38 2crm h ALA 73 Cb 0.00 0.03 0.06 0.00 0.00 0.00 0.00 17.79 17.87 2crm h ALA 73 CO 0.00 0.03 -0.18 2.41 0.00 0.00 0.00 179.25 181.51 2crm n THR 74 N -3.39 0.74 -0.37 0.00 -1.04 -1.26 -4.66 114.28 104.30 2crm n THR 74 Ca -0.00 -0.19 -0.08 0.00 -2.04 0.00 0.00 64.05 61.74 2crm n THR 74 Cb 0.01 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 68.69 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 0.83 2.42 -3.74 -2.82 1.74 -1.26 -4.82 116.66 109.01 2crm n ARG 75 Ca 0.13 -1.98 -0.16 0.00 -0.77 0.00 0.00 57.85 55.07 2crm n ARG 75 Cb 0.12 -1.85 -0.16 0.00 -1.02 0.00 0.00 32.46 29.55 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 -2.14 -0.02 0.04 5.56 2.02 -1.26 -2.71 118.70 120.20 2crm s GLU 76 Ca 0.36 0.28 -0.03 0.00 0.02 0.00 0.00 54.97 55.61 2crm s GLU 76 Cb 0.30 -0.29 -0.02 0.00 0.10 0.00 0.00 34.13 34.21 2crm s GLU 76 CO 0.08 -0.21 0.04 -1.58 0.02 0.00 0.00 175.26 173.61 2crm s HIS 77 N 1.39 0.33 -0.39 1.61 2.46 -0.89 -4.99 115.29 114.81 2crm s HIS 77 Ca -0.06 -0.73 -0.14 0.00 0.47 0.00 0.00 55.06 54.60 2crm s HIS 77 Cb -0.12 -0.24 0.01 0.00 -0.13 0.00 0.00 32.58 32.10 2crm s HIS 77 CO -0.04 -0.36 0.27 -1.17 -2.47 0.00 0.00 174.74 170.98 2crm s LEU 78 N -2.39 4.91 -1.01 8.88 2.96 -1.26 -0.79 118.68 129.98 2crm s LEU 78 Ca -0.01 -0.79 -0.23 0.00 -0.22 0.00 0.00 54.13 52.87 2crm s LEU 78 Cb 0.01 -2.14 0.04 0.00 0.50 0.00 0.00 46.19 44.61 2crm s LEU 78 CO -0.07 -0.39 1.49 0.00 -1.32 0.00 0.00 176.35 176.07 2crm n ASP 80 N 9.35 1.15 -3.17 0.00 5.68 -1.26 -3.39 116.55 124.91 2crm n ASP 80 Ca 0.33 -1.95 -0.17 0.00 -0.50 0.00 0.00 54.79 52.50 2crm n ASP 80 Cb 0.51 -0.51 0.08 0.00 -1.14 0.00 0.00 41.12 40.06 2crm n ASP 80 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2crm n ARG 81 N -2.45 -6.18 -4.29 0.11 1.74 -1.26 -5.00 116.66 99.32 2crm n ARG 81 Ca 0.13 0.75 -0.28 0.00 -0.77 0.00 0.00 57.85 57.68 2crm n ARG 81 Cb 0.48 -5.48 -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 -0.51 -1.52 0.00 0.00 177.63 175.60 2crm s LEU 82 N -6.05 2.78 -0.04 0.55 1.43 -1.25 -5.10 118.68 110.99 2crm s LEU 82 Ca 0.14 -1.30 0.03 0.00 -1.03 0.00 0.00 54.13 51.97 2crm s LEU 82 Cb -0.06 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 45.03 2crm s LEU 82 CO 0.65 -0.75 -0.13 0.20 0.23 0.00 0.00 176.35 176.54 2crm s ASN 83 N -3.97 1.74 0.71 2.29 0.01 -1.26 -4.69 114.94 109.77 2crm s ASN 83 Ca 0.29 -0.28 -0.13 0.00 -0.71 0.00 0.00 52.86 52.03 2crm s ASN 83 Cb 0.02 -0.59 0.02 0.00 0.41 0.00 0.00 41.25 41.12 2crm s ASN 83 CO 0.17 0.09 1.10 -2.16 -1.51 0.00 0.00 177.10 174.78 2crm s PRO 84 N 0.29 2.57 -1.41 -0.60 0.04 -1.25 -3.74 135.00 130.91 2crm s PRO 84 Ca -0.07 1.29 -0.06 0.00 0.04 0.00 0.00 61.00 62.20 2crm s PRO 84 Cb -0.12 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2crm s PRO 84 CO 0.02 -1.42 0.83 0.41 0.04 0.00 0.00 177.00 176.89 2crm n GLY 85 N -0.83 -0.47 3.37 0.56 0.00 -1.02 -4.83 105.19 101.97 2crm n GLY 85 Ca 0.10 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.89 2.48 -0.30 0.00 0.08 -1.26 -3.40 117.98 111.69 2crm s PHE 87 Ca 0.10 -0.10 -0.15 0.00 0.12 0.00 0.00 56.93 56.91 2crm s PHE 87 Cb 0.02 -2.80 0.16 0.00 -0.57 0.00 0.00 43.02 39.83 2crm s PHE 87 CO -0.05 -1.11 0.96 0.71 -0.10 0.00 0.00 175.22 175.64 2crm s TYR 88 N -2.86 -0.70 -0.09 0.36 2.02 -1.25 -3.02 117.35 111.79 2crm s TYR 88 Ca 0.60 1.25 -0.10 0.00 -0.37 0.00 0.00 57.07 58.44 2crm s TYR 88 Cb -0.09 0.42 -0.05 0.00 -0.40 0.00 0.00 41.96 41.85 2crm s TYR 88 CO 0.40 -0.35 0.24 1.03 -1.57 0.00 0.00 175.55 175.30 2crm s ARG 89 N 2.28 3.70 0.10 -0.62 0.52 -1.22 -3.57 118.95 120.14 2crm s ARG 89 Ca -0.04 0.06 0.05 0.00 -0.52 0.00 0.00 55.73 55.27 2crm s ARG 89 Cb -0.06 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 2crm s ARG 89 CO -0.17 0.68 -0.12 -0.51 0.02 0.00 0.00 175.30 175.20 2crm s LEU 90 N -0.85 2.39 -0.09 2.53 1.02 -1.16 -0.14 118.68 122.38 2crm s LEU 90 Ca 0.18 -0.79 -0.04 0.00 0.02 0.00 0.00 54.13 53.49 2crm s LEU 90 Cb -0.14 -0.41 0.05 0.00 0.02 0.00 0.00 46.19 45.71 2crm s LEU 90 CO 0.07 -0.20 0.21 -0.13 0.02 0.00 0.00 176.35 176.31 2crm s ARG 91 N -2.64 0.15 -0.15 1.70 0.52 0.18 -1.65 118.95 117.06 2crm s ARG 91 Ca 0.06 0.50 -0.03 0.00 -0.52 0.00 0.00 55.73 55.74 2crm s ARG 91 Cb -0.04 -0.14 -0.02 0.00 0.52 0.00 0.00 34.95 35.26 2crm s ARG 91 CO 0.01 -0.18 -0.06 0.08 0.02 0.00 0.00 175.30 175.17 2crm s VAL 92 N 1.40 3.70 0.03 3.52 1.01 -1.26 -0.00 120.40 128.80 2crm s VAL 92 Ca -0.08 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 2crm s VAL 92 Cb -0.11 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 2crm s VAL 92 CO -0.08 0.50 0.03 -0.72 0.00 0.00 0.00 175.10 174.84 2crm s TYR 93 N 0.39 0.28 0.18 5.22 -0.85 -1.01 -2.70 117.35 118.86 2crm s TYR 93 Ca -0.05 -0.61 0.04 0.00 -0.52 0.00 0.00 57.07 55.92 2crm s TYR 93 Cb -0.15 -0.20 -0.03 0.00 0.38 0.00 0.00 41.96 41.96 2crm s TYR 93 CO 0.03 -0.31 0.28 0.00 -1.52 0.00 0.00 175.55 174.03 2crm s ILE 95 N -1.84 3.06 0.39 0.00 1.01 -0.77 -1.93 121.20 121.12 2crm s ILE 95 Ca 0.34 -3.07 0.08 0.00 0.00 0.00 0.00 60.65 57.99 2crm s ILE 95 Cb -0.10 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 2crm s ILE 95 CO 0.28 -0.82 0.42 -0.44 0.00 0.00 0.00 174.94 174.38 2crm s SER 96 N 0.25 5.35 0.24 3.58 0.01 -0.56 -3.11 113.70 119.46 2crm s SER 96 Ca 0.16 -0.56 -0.19 0.00 1.31 0.00 0.00 55.95 56.67 2crm s SER 96 Cb -0.23 -0.74 -0.13 0.00 0.21 0.00 0.00 66.02 65.13 2crm s SER 96 CO -0.02 -0.60 0.24 -0.67 0.41 0.00 0.00 173.24 172.60 2crm n ASP 97 N -1.60 -1.65 0.00 2.44 2.03 -1.26 -0.83 116.55 115.67 2crm n ASP 97 Ca 0.03 0.77 0.00 0.00 0.52 0.00 0.00 54.79 56.11 2crm n ASP 97 Cb 0.60 -0.73 0.00 0.00 -0.72 0.00 0.00 41.12 40.28 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 1.72 2.38 0.00 0.27 0.00 -1.26 -4.80 105.19 103.51 2crm n GLY 98 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.41 3.36 -0.02 0.00 -0.01 -4.93 105.19 103.17 2crm n GLY 99 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 1.40 0.48 1.61 1.11 -1.26 -1.50 119.66 121.50 2crm s GLN 100 Ca 0.00 -1.72 0.02 0.00 0.01 0.00 0.00 55.36 53.67 2crm s GLN 100 Cb 0.00 -0.71 0.01 0.00 -1.01 0.00 0.00 33.01 31.30 2crm s GLN 100 CO 0.00 -0.09 0.69 -1.54 0.01 0.00 0.00 175.29 174.36 2crm s SER 101 N -3.34 5.58 0.18 5.90 1.04 -0.81 -4.92 113.70 117.32 2crm s SER 101 Ca 0.30 0.04 -0.32 0.00 0.48 0.00 0.00 55.95 56.45 2crm s SER 101 Cb 0.06 -1.13 -0.11 0.00 0.10 0.00 0.00 66.02 64.93 2crm s SER 101 CO 0.10 -0.88 1.76 0.00 0.98 0.00 0.00 173.24 175.20 2crm s ALA 102 N -2.59 3.89 0.05 5.32 0.00 -1.26 -4.74 121.76 122.42 2crm s ALA 102 Ca 0.53 1.55 -0.36 0.00 0.00 0.00 0.00 51.96 53.67 2crm s ALA 102 Cb -0.10 -3.72 -0.15 0.00 0.00 0.00 0.00 23.12 19.15 2crm s ALA 102 CO 0.37 -1.02 1.51 1.33 0.00 0.00 0.00 175.76 177.95 2crm n VAL 103 N 4.23 0.09 -0.42 0.00 0.24 -1.26 -4.79 118.33 116.41 2crm n VAL 103 Ca 0.16 -0.02 -0.28 0.00 -2.04 0.00 0.00 64.34 62.16 2crm n VAL 103 Cb 0.36 -1.18 0.27 0.00 -1.47 0.00 0.00 33.84 31.82 2crm n VAL 103 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2crm n SER 104 N 3.52 -2.27 -4.22 -1.34 3.41 -1.10 -4.95 113.62 106.67 2crm n SER 104 Ca 0.19 -0.32 -0.33 0.00 -0.26 0.00 0.00 58.87 58.16 2crm n SER 104 Cb 0.22 -1.20 0.16 0.00 -0.26 0.00 0.00 64.21 63.13 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 -5.14 -1.51 -3.27 4.33 4.71 -1.26 -4.62 120.64 113.88 2crm n GLU 105 Ca 0.04 -0.43 -0.39 0.00 -0.01 0.00 0.00 57.16 56.37 2crm n GLU 105 Cb 0.55 -1.62 -0.06 0.00 -1.01 0.00 0.00 31.44 29.31 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 -1.76 6.94 -0.41 1.62 1.04 -1.26 -4.50 113.70 115.38 2crm s SER 106 Ca 0.53 1.12 -0.14 0.00 0.48 0.00 0.00 55.95 57.95 2crm s SER 106 Cb -0.09 -2.34 0.03 0.00 0.10 0.00 0.00 66.02 63.73 2crm s SER 106 CO 0.65 0.16 0.29 -0.22 0.98 0.00 0.00 173.24 175.10 2crm s LEU 107 N -0.44 5.10 -0.32 2.42 2.96 -0.66 -4.87 118.68 122.87 2crm s LEU 107 Ca 0.29 -1.04 -0.17 0.00 -0.22 0.00 0.00 54.13 52.99 2crm s LEU 107 Cb -0.18 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.38 2crm s LEU 107 CO 0.16 -0.47 0.48 -0.22 -1.32 0.00 0.00 176.35 174.98 2crm s LEU 108 N 1.63 4.27 -0.11 -0.68 2.96 -1.26 -3.01 118.68 122.48 2crm s LEU 108 Ca 0.04 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 2crm s LEU 108 Cb -0.20 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 43.96 2crm s LEU 108 CO 0.08 -0.40 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.91 2crm s VAL 109 N 2.30 1.26 -0.38 1.68 1.01 -1.23 -5.02 120.40 120.01 2crm s VAL 109 Ca 0.18 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 2crm s VAL 109 Cb -0.16 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.03 2crm s VAL 109 CO 0.12 0.40 0.52 -1.58 0.00 0.00 0.00 175.10 174.56 2crm s GLN 110 N 1.23 3.46 0.34 2.72 0.74 -1.26 -3.95 119.66 122.93 2crm s GLN 110 Ca -0.03 -0.32 -0.26 0.00 0.05 0.00 0.00 55.36 54.80 2crm s GLN 110 Cb -0.14 -3.86 -0.09 0.00 1.10 0.00 0.00 33.01 30.01 2crm s GLN 110 CO -0.04 -0.75 1.01 0.95 -0.55 0.00 0.00 175.29 175.91 2crm s THR 111 N 2.42 3.90 -0.24 -0.34 -4.23 -1.22 -4.98 115.64 110.95 2crm s THR 111 Ca 0.18 1.61 -0.29 0.00 -1.18 0.00 0.00 61.69 62.01 2crm s THR 111 Cb -0.15 -3.91 -0.02 0.00 1.34 0.00 0.00 72.50 69.75 2crm s THR 111 CO 0.14 0.16 1.62 -2.16 -0.54 0.00 0.00 174.62 173.84 2crm s PRO 112 N -2.04 3.75 -0.37 3.99 0.04 -1.26 -2.44 135.00 136.66 2crm s PRO 112 Ca 0.51 1.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 2crm s PRO 112 Cb -0.23 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.27 2crm s PRO 112 CO 0.29 -1.35 1.49 0.00 0.04 0.00 0.00 177.00 177.47 2crm s ALA 113 N 5.33 3.05 0.80 8.56 0.00 -1.26 -4.27 121.76 133.98 2crm s ALA 113 Ca 0.72 -0.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.53 2crm s ALA 113 Cb -0.24 -3.94 0.08 0.00 0.00 0.00 0.00 23.12 19.02 2crm s ALA 113 CO 0.30 -2.36 1.21 0.14 0.00 0.00 0.00 175.76 175.05 2crm s VAL 114 N 5.62 2.04 -0.03 0.00 -7.23 -1.26 -4.92 120.40 114.61 2crm s VAL 114 Ca 0.65 0.02 -0.16 0.00 -1.81 0.00 0.00 61.98 60.67 2crm s VAL 114 Cb -0.16 -2.46 0.03 0.00 0.56 0.00 0.00 36.38 34.35 2crm s VAL 114 CO 0.32 -0.01 0.35 -0.55 -0.31 0.00 0.00 175.10 174.90 2crm s SER 115 N -2.10 -0.26 0.00 4.85 0.15 -1.26 -5.07 113.70 110.01 2crm s SER 115 Ca 0.74 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.60 2crm s SER 115 Cb -0.29 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 2crm s SER 115 CO 0.50 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 175.11 2crm n GLY 116 N 1.36 0.62 0.00 9.45 0.00 -1.26 -4.72 105.19 110.64 2crm n GLY 116 Ca -0.21 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 43.81 2crm n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2crm n PRO 117 N 0.00 0.24 -3.30 1.61 -0.04 -1.26 -4.86 135.00 127.40 2crm n PRO 117 Ca 0.00 0.13 -0.17 0.00 -0.04 0.00 0.00 63.50 63.41 2crm n PRO 117 Cb 0.00 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.02 2crm n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2crm n SER 118 N -1.25 -5.03 -4.57 3.54 2.88 -1.26 -4.98 113.62 102.94 2crm n SER 118 Ca 0.08 -0.40 -0.41 0.00 -1.33 0.00 0.00 58.87 56.81 2crm n SER 118 Cb 0.11 -3.87 -0.09 0.00 -0.75 0.00 0.00 64.21 59.62 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 -3.29 6.27 0.00 -3.46 0.15 -1.26 -5.20 113.70 106.91 2crm s SER 119 Ca 0.41 0.01 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2crm s SER 119 Cb -0.18 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2crm s SER 119 CO 0.54 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.23