#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 1.73 -4.55 1.61 2.88 -1.26 -4.85 113.62 109.17 2crm n SER 2 Ca 0.00 0.22 -0.17 0.00 -1.33 0.00 0.00 58.87 57.59 2crm n SER 2 Cb 0.00 -0.62 -0.08 0.00 -0.75 0.00 0.00 64.21 62.76 2crm n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2crm n SER 3 N -3.88 1.58 0.00 -3.46 7.64 -1.26 -4.61 113.62 109.63 2crm n SER 3 Ca -0.44 -1.29 0.00 0.00 1.01 0.00 0.00 58.87 58.15 2crm n SER 3 Cb 0.83 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 6.61 -0.12 4.18 0.23 0.00 -1.26 -5.03 105.19 109.80 2crm n GLY 4 Ca 0.48 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 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 1.74 -2.56 -4.54 1.61 2.88 -1.26 -4.91 113.62 106.58 2crm n SER 5 Ca 0.00 -1.02 -0.39 0.00 -1.33 0.00 0.00 58.87 56.13 2crm n SER 5 Cb 0.00 -2.76 -0.11 0.00 -0.75 0.00 0.00 64.21 60.59 2crm n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2crm s SER 6 N -3.54 5.93 0.00 -3.46 0.15 -1.26 -4.92 113.70 106.60 2crm s SER 6 Ca 0.57 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.98 2crm s SER 6 Cb -0.31 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2crm s SER 6 CO 0.92 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.84 2crm n GLY 7 N 5.06 0.16 2.95 9.45 0.00 -1.26 -5.11 105.19 116.45 2crm n GLY 7 Ca -0.14 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.55 0.27 -0.23 1.61 1.01 -1.26 -5.14 120.40 116.11 2crm s VAL 8 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.48 2crm s VAL 8 Cb 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 2crm s VAL 8 CO 0.00 -0.07 0.31 0.68 0.00 0.00 0.00 175.10 176.02 2crm s VAL 9 N -0.43 5.25 -0.07 2.92 -7.23 -1.26 -5.06 120.40 114.51 2crm s VAL 9 Ca -0.02 0.49 -0.18 0.00 -1.81 0.00 0.00 61.98 60.45 2crm s VAL 9 Cb -0.04 -3.64 0.04 0.00 0.56 0.00 0.00 36.38 33.30 2crm s VAL 9 CO -0.00 0.26 0.41 -1.61 -0.31 0.00 0.00 175.10 173.85 2crm s GLU 10 N 1.43 0.68 -0.46 4.82 2.02 -1.26 -5.12 118.70 120.81 2crm s GLU 10 Ca 0.14 0.15 0.02 0.00 0.02 0.00 0.00 54.97 55.30 2crm s GLU 10 Cb -0.15 0.31 0.14 0.00 0.10 0.00 0.00 34.13 34.54 2crm s GLU 10 CO 0.08 -0.17 0.27 -0.06 0.02 0.00 0.00 175.26 175.40 2crm s PHE 11 N -0.79 2.03 -0.30 1.61 0.08 -1.26 -5.06 117.98 114.30 2crm s PHE 11 Ca -0.09 -2.49 -0.05 0.00 0.12 0.00 0.00 56.93 54.42 2crm s PHE 11 Cb -0.04 -1.87 0.16 0.00 -0.57 0.00 0.00 43.02 40.71 2crm s PHE 11 CO 0.04 -0.77 0.62 0.99 -0.10 0.00 0.00 175.22 176.00 2crm s THR 12 N 0.18 -1.00 0.19 0.64 2.01 -1.26 -5.14 115.64 111.27 2crm s THR 12 Ca 0.20 0.00 -0.33 0.00 0.31 0.00 0.00 61.69 61.87 2crm s THR 12 Cb -0.20 -1.00 -0.15 0.00 0.01 0.00 0.00 72.50 71.16 2crm s THR 12 CO -0.03 -0.00 1.27 1.07 -0.69 0.00 0.00 174.62 176.24 2crm n THR 13 N 5.44 0.81 -4.89 -0.82 5.66 -1.26 -4.98 114.28 114.23 2crm n THR 13 Ca -0.06 -0.20 -0.31 0.00 -3.05 0.00 0.00 64.05 60.42 2crm n THR 13 Cb 0.50 -1.08 -0.14 0.00 -1.55 0.00 0.00 70.33 68.06 2crm n THR 13 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2crm s PRO 15 N -1.04 -1.59 0.59 0.00 0.04 -1.26 -5.04 135.00 126.69 2crm s PRO 15 Ca 0.12 -0.19 -0.08 0.00 0.04 0.00 0.00 61.00 60.90 2crm s PRO 15 Cb -0.10 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.86 2crm s PRO 15 CO 0.02 -3.93 0.93 0.34 0.04 0.00 0.00 177.00 174.40 2crm s ASP 16 N -3.99 5.88 0.43 6.66 2.15 -1.26 -4.89 116.67 121.65 2crm s ASP 16 Ca 0.72 0.98 -0.23 0.00 0.43 0.00 0.00 52.55 54.45 2crm s ASP 16 Cb -0.08 -2.04 -0.09 0.00 -0.30 0.00 0.00 42.92 40.42 2crm s ASP 16 CO 0.56 -0.94 1.06 -0.54 -0.17 0.00 0.00 175.17 175.14 2crm s LYS 17 N -5.02 4.01 1.00 4.34 1.02 -1.26 -1.86 119.74 121.97 2crm s LYS 17 Ca 0.53 1.50 -0.12 0.00 0.02 0.00 0.00 55.97 57.89 2crm s LYS 17 Cb -0.11 -2.39 0.19 0.00 -0.52 0.00 0.00 37.83 35.00 2crm s LYS 17 CO 0.48 -0.27 1.09 -1.25 -0.92 0.00 0.00 175.35 174.48 2crm s PRO 18 N -2.74 0.45 -0.25 -1.68 0.04 -1.26 -4.13 135.00 125.42 2crm s PRO 18 Ca 0.61 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.08 2crm s PRO 18 Cb -0.21 -1.74 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 2crm s PRO 18 CO 0.26 -2.73 0.18 0.20 0.04 0.00 0.00 177.00 174.95 2crm s GLY 19 N -3.44 1.97 0.01 0.56 0.00 -1.25 -4.84 107.32 100.32 2crm s GLY 19 Ca 0.65 -0.92 -0.30 0.00 0.00 0.00 0.00 44.72 44.15 2crm s GLY 19 CO 0.58 0.47 0.79 1.39 0.00 0.00 0.00 173.10 176.33 2crm n ILE 20 N 4.47 0.10 -2.26 0.90 5.41 -1.26 -4.51 119.36 122.22 2crm n ILE 20 Ca -0.14 -0.03 -0.40 0.00 1.00 0.00 0.00 62.75 63.18 2crm n ILE 20 Cb 0.52 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.42 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 -0.05 4.42 0.15 0.38 0.04 -1.26 -4.53 135.00 134.15 2crm s PRO 21 Ca 0.68 2.04 -0.32 0.00 0.04 0.00 0.00 61.00 63.44 2crm s PRO 21 Cb -0.96 -3.07 -0.12 0.00 0.04 0.00 0.00 34.50 30.40 2crm s PRO 21 CO 0.44 -0.07 1.76 0.28 0.04 0.00 0.00 177.00 179.45 2crm n VAL 22 N 0.85 0.18 -1.37 -0.36 0.31 -0.07 -4.58 118.33 113.29 2crm n VAL 22 Ca 0.00 -0.03 -0.48 0.00 -0.01 0.00 0.00 64.34 63.81 2crm n VAL 22 Cb 0.43 -1.98 -0.04 0.00 -0.91 0.00 0.00 33.84 31.35 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 4.72 0.00 -2.10 5.55 0.00 -1.26 -3.45 118.16 121.61 2crm n LYS 23 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 58.31 58.05 2crm n LYS 23 Cb 0.35 -1.06 -0.03 0.00 0.00 0.00 0.00 35.03 34.30 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 -0.78 3.55 0.44 1.64 0.04 -1.26 -4.42 135.00 134.21 2crm s PRO 24 Ca 0.67 1.44 0.04 0.00 0.04 0.00 0.00 61.00 63.18 2crm s PRO 24 Cb -0.96 -4.11 0.01 0.00 0.04 0.00 0.00 34.50 29.48 2crm s PRO 24 CO 0.54 -1.60 0.62 -1.54 0.04 0.00 0.00 177.00 175.07 2crm s SER 25 N 5.03 5.69 0.02 6.66 1.04 -0.67 -4.82 113.70 126.65 2crm s SER 25 Ca 0.74 -0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.93 2crm s SER 25 Cb -0.22 -1.08 -0.06 0.00 0.10 0.00 0.00 66.02 64.76 2crm s SER 25 CO 0.32 -0.76 0.44 -0.69 0.98 0.00 0.00 173.24 173.53 2crm s VAL 26 N -2.46 4.98 -0.07 5.02 1.01 -1.26 -1.11 120.40 126.51 2crm s VAL 26 Ca 0.51 0.89 -0.00 0.00 0.00 0.00 0.00 61.98 63.38 2crm s VAL 26 Cb -0.10 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.57 2crm s VAL 26 CO 0.35 0.56 -0.03 -0.75 0.00 0.00 0.00 175.10 175.23 2crm s LYS 27 N -1.13 0.85 0.62 2.72 2.20 -1.25 -4.94 119.74 118.81 2crm s LYS 27 Ca 0.25 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 2crm s LYS 27 Cb -0.17 -1.02 0.00 0.00 -1.51 0.00 0.00 37.83 35.13 2crm s LYS 27 CO 0.15 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.34 2crm n GLY 28 N 4.68 0.94 3.29 5.54 0.00 -1.26 -4.75 105.19 113.63 2crm n GLY 28 Ca -0.15 -1.37 -0.32 0.00 0.00 0.00 0.00 46.02 44.19 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 2.71 -0.44 1.61 2.20 -1.26 -5.10 119.74 119.47 2crm s LYS 29 Ca 0.00 -0.86 -0.21 0.00 -0.36 0.00 0.00 55.97 54.54 2crm s LYS 29 Cb 0.00 -2.25 0.02 0.00 -1.51 0.00 0.00 37.83 34.09 2crm s LYS 29 CO 0.00 0.35 0.64 0.42 -0.36 0.00 0.00 175.35 176.40 2crm s ILE 30 N -0.08 4.83 0.54 5.43 1.01 -1.26 -4.62 121.20 127.05 2crm s ILE 30 Ca -0.06 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.61 2crm s ILE 30 Cb -0.14 -4.20 0.13 0.00 0.01 0.00 0.00 42.46 38.26 2crm s ILE 30 CO 0.04 -0.59 0.46 1.41 0.00 0.00 0.00 174.94 176.26 2crm n HIS 31 N 6.25 -3.32 -0.06 3.97 8.25 -0.59 -4.79 115.22 124.93 2crm n HIS 31 Ca -0.02 -0.42 -0.00 0.00 -0.26 0.00 0.00 57.72 57.02 2crm n HIS 31 Cb 0.48 -0.49 -0.16 0.00 1.12 0.00 0.00 29.99 30.93 2crm n HIS 31 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2crm n SER 32 N -3.84 0.02 0.02 0.41 7.64 -1.26 -4.23 113.62 112.38 2crm n SER 32 Ca 0.06 0.01 0.11 0.00 1.01 0.00 0.00 58.87 60.07 2crm n SER 32 Cb 0.25 1.42 -0.04 0.00 -1.01 0.00 0.00 64.21 64.83 2crm n SER 32 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2crm n HIS 33 N -2.53 0.24 -3.78 1.43 8.25 -1.26 -2.85 115.22 114.72 2crm n HIS 33 Ca -0.19 0.07 0.02 0.00 -0.26 0.00 0.00 57.72 57.36 2crm n HIS 33 Cb 0.89 -0.45 0.00 0.00 1.12 0.00 0.00 29.99 31.55 2crm n HIS 33 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2crm s SER 34 N -4.09 -0.02 0.02 0.41 1.04 -1.26 0.23 113.70 110.02 2crm s SER 34 Ca 0.01 -0.16 -0.25 0.00 0.48 0.00 0.00 55.95 56.02 2crm s SER 34 Cb 0.14 0.15 0.06 0.00 0.10 0.00 0.00 66.02 66.47 2crm s SER 34 CO 0.84 -0.28 0.58 0.72 0.98 0.00 0.00 173.24 176.07 2crm s PHE 35 N -2.21 -0.52 0.08 5.02 -0.71 -1.25 -1.55 117.98 116.85 2crm s PHE 35 Ca 0.21 0.71 -0.11 0.00 -1.04 0.00 0.00 56.93 56.70 2crm s PHE 35 Cb 0.03 0.38 -0.06 0.00 -1.21 0.00 0.00 43.02 42.16 2crm s PHE 35 CO -0.03 -0.64 0.42 0.21 -1.34 0.00 0.00 175.22 173.85 2crm s LYS 36 N -2.00 3.80 0.06 1.99 2.20 -1.26 -2.32 119.74 122.20 2crm s LYS 36 Ca -0.07 0.23 0.04 0.00 -0.36 0.00 0.00 55.97 55.81 2crm s LYS 36 Cb -0.01 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 2crm s LYS 36 CO 0.02 0.56 -0.12 0.96 -0.36 0.00 0.00 175.35 176.41 2crm s ILE 37 N -1.39 0.88 -0.12 5.43 -4.36 -0.50 -3.84 121.20 117.31 2crm s ILE 37 Ca 0.33 -1.23 -0.06 0.00 -0.26 0.00 0.00 60.65 59.43 2crm s ILE 37 Cb -0.14 -0.90 0.05 0.00 1.25 0.00 0.00 42.46 42.72 2crm s ILE 37 CO 0.18 -0.30 0.27 0.28 0.24 0.00 0.00 174.94 175.61 2crm s THR 38 N -1.36 -0.18 0.22 8.37 -1.32 -0.27 -2.17 115.64 118.94 2crm s THR 38 Ca -0.05 0.19 0.06 0.00 -1.21 0.00 0.00 61.69 60.68 2crm s THR 38 Cb -0.10 -0.43 -0.04 0.00 -1.51 0.00 0.00 72.50 70.42 2crm s THR 38 CO 0.01 0.08 0.20 -1.66 -2.21 0.00 0.00 174.62 171.04 2crm s TRP 39 N 1.69 3.16 0.05 9.09 -2.14 -1.07 -1.67 118.94 128.06 2crm s TRP 39 Ca -0.06 -0.07 0.00 0.00 2.66 0.00 0.00 56.10 58.64 2crm s TRP 39 Cb -0.11 -1.45 -0.04 0.00 -3.10 0.00 0.00 33.47 28.77 2crm s TRP 39 CO -0.09 0.51 0.15 -0.51 -2.66 0.00 0.00 176.95 174.36 2crm s ASP 40 N -3.63 6.04 0.72 -2.66 1.11 -1.22 -4.89 116.67 112.14 2crm s ASP 40 Ca 0.32 0.19 -0.12 0.00 0.18 0.00 0.00 52.55 53.12 2crm s ASP 40 Cb -0.09 -1.79 0.03 0.00 1.07 0.00 0.00 42.92 42.14 2crm s ASP 40 CO 0.25 0.20 1.10 -2.16 1.18 0.00 0.00 175.17 175.74 2crm s PRO 41 N -2.29 2.49 0.22 8.23 0.04 -1.26 -0.89 135.00 141.54 2crm s PRO 41 Ca 0.31 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 2crm s PRO 41 Cb -0.13 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2crm s PRO 41 CO 0.23 -1.47 1.29 -1.25 0.04 0.00 0.00 177.00 175.83 2crm s PRO 42 N -4.54 4.41 0.59 0.56 0.04 -1.26 -4.58 135.00 130.21 2crm s PRO 42 Ca 0.64 2.05 0.31 0.00 0.04 0.00 0.00 61.00 64.03 2crm s PRO 42 Cb -0.19 -3.18 1.28 0.00 0.04 0.00 0.00 34.50 32.46 2crm s PRO 42 CO 0.50 -0.20 1.62 1.57 0.04 0.00 0.00 177.00 180.53 2crm h LYS 43 N 4.94 0.00 -1.34 4.56 2.10 -1.91 -3.37 116.57 121.54 2crm h LYS 43 Ca -0.45 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.33 2crm h LYS 43 Cb 1.22 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 32.33 2crm h LYS 43 CO 0.74 0.00 0.04 0.34 -2.00 0.00 0.00 179.45 178.57 2crm s ASP 44 N -4.37 -0.86 -0.07 7.07 -1.08 -1.26 -5.03 116.67 111.06 2crm s ASP 44 Ca -0.04 1.07 -0.02 0.00 -0.52 0.00 0.00 52.55 53.04 2crm s ASP 44 Cb 0.17 1.94 -0.04 0.00 -1.46 0.00 0.00 42.92 43.52 2crm s ASP 44 CO 0.57 -0.16 2.52 -0.46 0.52 0.00 0.00 175.17 178.15 2crm n ASN 45 N 5.23 5.54 0.00 -0.34 2.04 -1.26 -3.96 115.26 122.51 2crm n ASN 45 Ca -0.09 -2.57 0.00 0.00 -0.44 0.00 0.00 54.58 51.48 2crm n ASN 45 Cb 0.51 -1.21 0.00 0.00 -2.53 0.00 0.00 39.78 36.55 2crm n ASN 45 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2crm n GLY 46 N 1.59 0.48 0.00 4.83 0.00 -1.26 -2.19 105.19 108.65 2crm n GLY 46 Ca 0.19 0.63 -0.00 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.02 3.55 -0.02 0.00 -1.25 -4.94 105.19 102.51 2crm n GLY 47 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.02 2.72 -0.01 4.61 0.00 -0.78 -4.71 121.76 121.58 2crm s ALA 48 Ca -0.01 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 50.42 2crm s ALA 48 Cb 0.00 -4.24 -0.06 0.00 0.00 0.00 0.00 23.12 18.82 2crm s ALA 48 CO 0.02 -3.28 1.53 0.95 0.00 0.00 0.00 175.76 174.99 2crm s THR 49 N 5.99 3.55 0.29 0.00 -4.23 -1.26 -4.54 115.64 115.43 2crm s THR 49 Ca 0.39 0.86 -0.23 0.00 -1.18 0.00 0.00 61.69 61.53 2crm s THR 49 Cb -0.08 -3.55 -0.15 0.00 1.34 0.00 0.00 72.50 70.05 2crm s THR 49 CO 0.17 -0.03 0.27 -0.38 -0.54 0.00 0.00 174.62 174.10 2crm n ILE 50 N 4.99 1.19 0.00 2.99 2.08 -1.26 -4.76 119.36 124.59 2crm n ILE 50 Ca 0.15 -0.47 0.00 0.00 0.56 0.00 0.00 62.75 62.99 2crm n ILE 50 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.32 2crm n ILE 50 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 2crm n ASN 51 N 2.06 2.68 -3.74 4.38 0.23 -1.13 -5.04 115.26 114.70 2crm n ASN 51 Ca 0.14 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 54.05 2crm n ASN 51 Cb 0.31 0.04 -0.09 0.00 -2.08 0.00 0.00 39.78 37.96 2crm n ASN 51 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2crm s LYS 52 N -1.65 0.65 -0.21 -3.83 2.20 -1.24 -4.74 119.74 110.92 2crm s LYS 52 Ca 0.00 0.01 0.02 0.00 -0.36 0.00 0.00 55.97 55.64 2crm s LYS 52 Cb 0.00 0.29 0.04 0.00 -1.51 0.00 0.00 37.83 36.65 2crm s LYS 52 CO 0.00 -0.16 -0.15 0.71 -0.36 0.00 0.00 175.35 175.39 2crm s TYR 53 N -0.96 2.83 0.00 4.03 2.02 0.17 -2.74 117.35 122.70 2crm s TYR 53 Ca -0.10 -1.84 0.05 0.00 -0.37 0.00 0.00 57.07 54.81 2crm s TYR 53 Cb -0.04 -1.84 -0.03 0.00 -0.40 0.00 0.00 41.96 39.64 2crm s TYR 53 CO 0.04 -0.81 -0.12 0.54 -1.57 0.00 0.00 175.55 173.63 2crm s VAL 54 N 1.26 3.23 -0.05 0.71 0.11 -1.22 -1.62 120.40 122.82 2crm s VAL 54 Ca -0.01 -0.90 0.03 0.00 -2.93 0.00 0.00 61.98 58.17 2crm s VAL 54 Cb -0.16 -2.36 -0.03 0.00 -1.53 0.00 0.00 36.38 32.30 2crm s VAL 54 CO -0.09 0.42 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.26 2crm s VAL 55 N -0.92 3.07 -0.00 2.04 1.01 -0.42 -2.88 120.40 122.31 2crm s VAL 55 Ca 0.15 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.47 2crm s VAL 55 Cb -0.11 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2crm s VAL 55 CO 0.05 0.59 -0.18 -1.61 0.00 0.00 0.00 175.10 173.95 2crm s GLU 56 N -0.68 1.42 0.14 2.72 2.02 -0.02 -2.96 118.70 121.35 2crm s GLU 56 Ca 0.10 -0.68 0.03 0.00 0.02 0.00 0.00 54.97 54.44 2crm s GLU 56 Cb -0.11 -1.40 -0.04 0.00 0.10 0.00 0.00 34.13 32.68 2crm s GLU 56 CO 0.01 0.38 -0.07 1.41 0.02 0.00 0.00 175.26 177.01 2crm s MET 57 N -0.54 1.01 0.09 1.61 -2.45 -1.23 0.27 119.30 118.07 2crm s MET 57 Ca 0.07 -1.44 0.02 0.00 -1.25 0.00 0.00 55.69 53.09 2crm s MET 57 Cb -0.07 -0.44 -0.04 0.00 1.25 0.00 0.00 34.83 35.53 2crm s MET 57 CO -0.00 0.01 -0.07 0.00 1.05 0.00 0.00 175.02 176.00 2crm s ALA 58 N -3.47 0.94 -0.52 4.11 0.00 0.19 -3.24 121.76 119.78 2crm s ALA 58 Ca 0.17 -1.25 -0.27 0.00 0.00 0.00 0.00 51.96 50.61 2crm s ALA 58 Cb 0.04 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 2crm s ALA 58 CO -0.00 -0.18 1.98 -1.21 0.00 0.00 0.00 175.76 176.34 2crm s GLU 59 N -3.41 2.66 0.39 0.00 0.41 -1.26 -2.80 118.70 114.69 2crm s GLU 59 Ca 0.08 0.98 0.00 0.00 -0.41 0.00 0.00 54.97 55.62 2crm s GLU 59 Cb 0.02 -4.39 0.00 0.00 -1.78 0.00 0.00 34.13 27.98 2crm s GLU 59 CO -0.03 -2.66 0.00 0.41 -0.49 0.00 0.00 175.26 172.48 2crm n GLY 60 N 5.71 -0.48 3.32 -1.39 0.00 -1.09 -3.84 105.19 107.42 2crm n GLY 60 Ca 0.25 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 2crm n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2crm n SER 61 N -4.06 5.02 -3.49 1.61 3.41 -1.26 -3.94 113.62 110.91 2crm n SER 61 Ca 0.00 -2.98 0.01 0.00 -0.26 0.00 0.00 58.87 55.64 2crm n SER 61 Cb 0.12 -1.60 -0.05 0.00 -0.26 0.00 0.00 64.21 62.41 2crm n SER 61 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2crm s ASN 62 N 2.81 -0.42 0.07 4.04 2.47 -1.25 -5.11 114.94 117.55 2crm s ASN 62 Ca 0.45 0.62 0.00 0.00 0.42 0.00 0.00 52.86 54.35 2crm s ASN 62 Cb 0.03 1.35 0.00 0.00 -1.45 0.00 0.00 41.25 41.18 2crm s ASN 62 CO 0.01 -0.09 0.00 0.61 -3.72 0.00 0.00 177.10 173.91 2crm n GLY 63 N 4.25 -3.35 2.19 1.21 0.00 -1.26 -4.68 105.19 103.56 2crm n GLY 63 Ca -0.13 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 2crm n GLY 63 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2crm n ASN 64 N -0.75 5.80 -4.37 1.61 3.02 -1.26 -4.81 115.26 114.50 2crm n ASN 64 Ca 0.00 -2.80 -0.46 0.00 -0.03 0.00 0.00 54.58 51.29 2crm n ASN 64 Cb 0.00 -1.32 -0.02 0.00 -0.61 0.00 0.00 39.78 37.84 2crm n ASN 64 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2crm s LYS 65 N -0.27 3.78 0.12 3.52 -2.85 -1.26 -5.03 119.74 117.75 2crm s LYS 65 Ca 0.60 -2.49 0.03 0.00 -1.00 0.00 0.00 55.97 53.11 2crm s LYS 65 Cb 0.33 -4.61 -0.04 0.00 -2.06 0.00 0.00 37.83 31.45 2crm s LYS 65 CO -0.09 -1.42 0.21 -1.58 0.10 0.00 0.00 175.35 172.56 2crm s TRP 66 N 0.50 3.38 -0.10 1.78 0.52 -1.26 -4.30 118.94 119.46 2crm s TRP 66 Ca 0.26 0.11 -0.21 0.00 0.02 0.00 0.00 56.10 56.27 2crm s TRP 66 Cb -0.08 -1.64 0.05 0.00 -1.15 0.00 0.00 33.47 30.64 2crm s TRP 66 CO -0.08 0.53 0.52 -1.21 0.02 0.00 0.00 176.95 176.73 2crm s GLU 67 N -2.94 0.78 0.11 4.98 8.01 -1.20 -5.03 118.70 123.41 2crm s GLU 67 Ca 0.33 0.32 -0.31 0.00 0.01 0.00 0.00 54.97 55.32 2crm s GLU 67 Cb -0.11 0.37 -0.08 0.00 -4.31 0.00 0.00 34.13 29.99 2crm s GLU 67 CO 0.26 -0.19 1.48 1.41 0.01 0.00 0.00 175.26 178.23 2crm s MET 68 N -0.65 4.27 -0.10 1.61 1.75 -1.26 -3.48 119.30 121.43 2crm s MET 68 Ca -0.07 2.18 -0.00 0.00 -1.25 0.00 0.00 55.69 56.55 2crm s MET 68 Cb -0.03 -3.29 -0.06 0.00 2.84 0.00 0.00 34.83 34.29 2crm s MET 68 CO 0.05 -0.54 -0.10 0.44 -0.65 0.00 0.00 175.02 174.22 2crm n ILE 69 N 4.11 0.59 -3.80 10.11 -5.35 -1.16 -5.02 119.36 118.85 2crm n ILE 69 Ca 0.13 -0.21 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 2crm n ILE 69 Cb 0.41 -1.00 -0.09 0.00 -1.74 0.00 0.00 39.64 37.22 2crm n ILE 69 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2crm s TYR 70 N -2.21 -0.09 0.06 4.28 6.14 -1.23 -5.06 117.35 119.24 2crm s TYR 70 Ca -0.14 0.10 -0.10 0.00 0.64 0.00 0.00 57.07 57.57 2crm s TYR 70 Cb 0.04 0.04 0.00 0.00 0.42 0.00 0.00 41.96 42.46 2crm s TYR 70 CO 0.23 -0.35 0.20 -1.54 0.64 0.00 0.00 175.55 174.73 2crm s SER 71 N -1.36 0.05 0.00 4.32 1.04 -1.26 -1.30 113.70 115.19 2crm s SER 71 Ca -0.14 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2crm s SER 71 Cb -0.06 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2crm s SER 71 CO 0.03 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.24 2crm n GLY 72 N 0.42 0.85 0.26 7.32 0.00 -0.64 -4.97 105.19 108.43 2crm n GLY 72 Ca -0.18 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 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 -0.71 -0.69 4.61 0.00 -1.85 0.47 119.26 121.09 2crm h ALA 73 Ca 0.00 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.21 2crm h ALA 73 Cb 0.00 0.24 0.03 0.00 0.00 0.00 0.00 17.79 18.05 2crm h ALA 73 CO 0.00 -0.67 0.18 2.41 0.00 0.00 0.00 179.25 181.17 2crm n THR 74 N -4.66 0.00 -0.04 0.00 -1.04 -1.26 -4.43 114.28 102.85 2crm n THR 74 Ca -0.08 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.00 2crm n THR 74 Cb 0.24 -0.11 0.26 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 1.58 3.10 -3.86 -2.82 1.74 -1.26 -4.79 116.66 110.35 2crm n ARG 75 Ca 0.16 -2.04 -0.27 0.00 -0.77 0.00 0.00 57.85 54.93 2crm n ARG 75 Cb 0.03 -1.78 -0.17 0.00 -1.02 0.00 0.00 32.46 29.52 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 -1.86 1.23 0.04 5.56 2.02 -1.26 -2.58 118.70 121.85 2crm s GLU 76 Ca 0.36 -0.36 -0.02 0.00 0.02 0.00 0.00 54.97 54.97 2crm s GLU 76 Cb 0.24 -1.78 -0.03 0.00 0.10 0.00 0.00 34.13 32.66 2crm s GLU 76 CO 0.16 -0.41 0.00 -1.58 0.02 0.00 0.00 175.26 173.46 2crm s HIS 77 N 1.73 0.38 -0.22 1.61 2.46 -0.92 -5.01 115.29 115.31 2crm s HIS 77 Ca 0.02 -0.80 -0.04 0.00 0.47 0.00 0.00 55.06 54.71 2crm s HIS 77 Cb -0.14 -0.28 -0.01 0.00 -0.13 0.00 0.00 32.58 32.02 2crm s HIS 77 CO -0.07 -0.34 -0.03 -1.17 -2.47 0.00 0.00 174.74 170.66 2crm s LEU 78 N -2.39 2.95 -1.01 8.88 2.96 -1.26 -1.40 118.68 127.40 2crm s LEU 78 Ca -0.01 -0.38 -0.21 0.00 -0.22 0.00 0.00 54.13 53.31 2crm s LEU 78 Cb 0.02 -1.76 0.09 0.00 0.50 0.00 0.00 46.19 45.04 2crm s LEU 78 CO -0.07 -0.02 1.33 0.00 -1.32 0.00 0.00 176.35 176.27 2crm s ASP 80 N 4.30 5.01 -0.29 0.00 2.15 -1.26 -3.81 116.67 122.77 2crm s ASP 80 Ca 0.41 1.00 -0.00 0.00 0.43 0.00 0.00 52.55 54.38 2crm s ASP 80 Cb -0.02 -1.67 -0.00 0.00 -0.30 0.00 0.00 42.92 40.93 2crm s ASP 80 CO -0.08 -1.61 0.25 0.54 -0.17 0.00 0.00 175.17 174.10 2crm n ARG 81 N -3.16 -1.46 -4.98 4.34 1.74 -1.23 -5.01 116.66 106.90 2crm n ARG 81 Ca 0.07 0.21 -0.32 0.00 -0.77 0.00 0.00 57.85 57.04 2crm n ARG 81 Cb 0.59 -3.21 -0.14 0.00 -1.02 0.00 0.00 32.46 28.68 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 -3.19 2.57 -0.20 0.55 1.43 0.13 -5.04 118.68 114.94 2crm s LEU 82 Ca 0.02 -0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 2crm s LEU 82 Cb -0.00 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.71 2crm s LEU 82 CO 0.18 0.32 1.01 0.20 0.23 0.00 0.00 176.35 178.29 2crm s ASN 83 N -0.56 7.11 -0.18 2.29 0.01 -1.26 -4.33 114.94 118.02 2crm s ASN 83 Ca 0.08 1.38 -0.29 0.00 -0.71 0.00 0.00 52.86 53.32 2crm s ASN 83 Cb -0.11 -2.53 -0.03 0.00 0.41 0.00 0.00 41.25 38.98 2crm s ASN 83 CO 0.01 -0.60 1.58 -2.16 -1.51 0.00 0.00 177.10 174.42 2crm s PRO 84 N 2.88 3.94 0.00 -0.60 0.04 -1.13 -3.41 135.00 136.72 2crm s PRO 84 Ca 0.44 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2crm s PRO 84 Cb -0.16 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2crm s PRO 84 CO 0.09 -1.12 0.00 0.41 0.04 0.00 0.00 177.00 176.42 2crm n GLY 85 N 4.41 1.43 3.43 0.56 0.00 -0.97 -4.52 105.19 109.52 2crm n GLY 85 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.94 2.50 -0.29 0.00 0.40 -1.26 -3.39 117.98 111.99 2crm s PHE 87 Ca 0.15 0.04 -0.15 0.00 -0.60 0.00 0.00 56.93 56.37 2crm s PHE 87 Cb 0.01 -2.97 0.15 0.00 0.51 0.00 0.00 43.02 40.72 2crm s PHE 87 CO -0.00 -1.29 0.95 0.71 0.70 0.00 0.00 175.22 176.29 2crm s TYR 88 N -3.02 -0.66 -0.19 0.36 2.02 -1.26 -2.68 117.35 111.91 2crm s TYR 88 Ca 0.61 1.26 -0.12 0.00 -0.37 0.00 0.00 57.07 58.45 2crm s TYR 88 Cb -0.09 0.40 -0.05 0.00 -0.40 0.00 0.00 41.96 41.82 2crm s TYR 88 CO 0.42 -0.33 0.22 1.03 -1.57 0.00 0.00 175.55 175.32 2crm s ARG 89 N 1.73 4.20 0.17 -0.62 0.52 -1.12 -3.50 118.95 120.32 2crm s ARG 89 Ca -0.07 -0.06 0.08 0.00 -0.52 0.00 0.00 55.73 55.16 2crm s ARG 89 Cb -0.05 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 2crm s ARG 89 CO -0.16 0.21 -0.18 -0.51 0.02 0.00 0.00 175.30 174.68 2crm s LEU 90 N 0.60 2.46 -0.23 2.53 1.02 -1.22 0.56 118.68 124.40 2crm s LEU 90 Ca 0.12 -0.89 -0.13 0.00 0.02 0.00 0.00 54.13 53.25 2crm s LEU 90 Cb -0.12 -0.80 0.07 0.00 0.02 0.00 0.00 46.19 45.35 2crm s LEU 90 CO 0.02 -0.06 0.57 0.00 0.02 0.00 0.00 176.35 176.91 2crm s ARG 91 N -2.95 0.58 -0.16 1.70 1.70 0.14 -1.23 118.95 118.73 2crm s ARG 91 Ca 0.17 1.04 -0.02 0.00 -0.47 0.00 0.00 55.73 56.45 2crm s ARG 91 Cb -0.05 0.08 -0.01 0.00 -0.57 0.00 0.00 34.95 34.40 2crm s ARG 91 CO 0.07 -0.15 -0.09 0.08 -1.08 0.00 0.00 175.30 174.13 2crm s VAL 92 N 1.50 3.26 0.15 4.99 1.01 -1.26 -0.84 120.40 129.20 2crm s VAL 92 Ca -0.09 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.42 2crm s VAL 92 Cb -0.06 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2crm s VAL 92 CO -0.16 0.49 -0.23 -0.72 0.00 0.00 0.00 175.10 174.48 2crm s TYR 93 N 0.73 2.07 -0.02 5.22 1.13 -1.14 -2.77 117.35 122.57 2crm s TYR 93 Ca -0.04 -0.40 -0.03 0.00 -1.41 0.00 0.00 57.07 55.19 2crm s TYR 93 Cb -0.15 -1.08 -0.04 0.00 -1.10 0.00 0.00 41.96 39.59 2crm s TYR 93 CO 0.02 0.35 0.15 0.00 -2.51 0.00 0.00 175.55 173.56 2crm s ILE 95 N -1.27 2.55 0.21 0.00 1.01 -1.11 -3.40 121.20 119.19 2crm s ILE 95 Ca 0.25 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 2crm s ILE 95 Cb -0.12 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 2crm s ILE 95 CO 0.16 0.51 0.13 -0.44 0.00 0.00 0.00 174.94 175.30 2crm s SER 96 N 1.05 0.33 -0.98 3.58 0.01 -0.27 -2.84 113.70 114.58 2crm s SER 96 Ca -0.01 -1.39 -0.14 0.00 1.31 0.00 0.00 55.95 55.72 2crm s SER 96 Cb -0.15 0.35 -0.31 0.00 0.21 0.00 0.00 66.02 66.13 2crm s SER 96 CO -0.04 -0.83 2.26 0.47 0.41 0.00 0.00 173.24 175.51 2crm n ASP 97 N -0.32 -0.95 0.00 2.44 8.00 -1.26 -1.23 116.55 123.23 2crm n ASP 97 Ca 0.02 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.03 2crm n ASP 97 Cb 0.66 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 2crm n ASP 97 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2crm n GLY 98 N 5.75 1.29 7.00 0.44 0.00 -1.26 -4.83 105.19 113.58 2crm n GLY 98 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.68 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 -0.72 3.62 -0.02 0.00 -0.37 -4.92 105.19 102.79 2crm n GLY 99 Ca 0.00 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 2.12 0.46 1.61 0.00 -1.26 -1.11 119.66 121.47 2crm s GLN 100 Ca 0.00 -1.62 0.07 0.00 -0.00 0.00 0.00 55.36 53.81 2crm s GLN 100 Cb 0.00 -2.01 -0.01 0.00 0.00 0.00 0.00 33.01 31.00 2crm s GLN 100 CO 0.00 0.24 0.36 -1.54 0.00 0.00 0.00 175.29 174.35 2crm s SER 101 N -3.68 4.82 -0.01 12.60 1.04 -1.22 -5.02 113.70 122.23 2crm s SER 101 Ca 0.33 -0.95 -0.28 0.00 0.48 0.00 0.00 55.95 55.53 2crm s SER 101 Cb -0.03 -0.25 -0.14 0.00 0.10 0.00 0.00 66.02 65.70 2crm s SER 101 CO 0.19 -0.78 0.76 0.00 0.98 0.00 0.00 173.24 174.38 2crm n ALA 102 N -1.58 -2.63 -1.18 5.32 0.00 -1.26 -4.69 120.51 114.49 2crm n ALA 102 Ca 0.02 0.41 -0.31 0.00 0.00 0.00 0.00 53.44 53.56 2crm n ALA 102 Cb 0.63 -1.23 0.11 0.00 0.00 0.00 0.00 19.45 18.96 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 0.07 3.05 0.57 0.00 -7.23 -1.26 -4.69 120.40 110.90 2crm s VAL 103 Ca 0.63 0.34 -0.12 0.00 -1.81 0.00 0.00 61.98 61.02 2crm s VAL 103 Cb -0.89 -2.77 -0.05 0.00 0.56 0.00 0.00 36.38 33.23 2crm s VAL 103 CO 0.40 -0.45 0.98 -0.94 -0.31 0.00 0.00 175.10 174.79 2crm s SER 104 N -3.32 6.37 1.00 4.85 1.04 -1.12 -4.98 113.70 117.55 2crm s SER 104 Ca 0.62 1.41 -0.18 0.00 0.48 0.00 0.00 55.95 58.28 2crm s SER 104 Cb -0.18 -2.46 -0.09 0.00 0.10 0.00 0.00 66.02 63.40 2crm s SER 104 CO 0.57 -0.74 -0.56 -0.62 0.98 0.00 0.00 173.24 172.87 2crm n GLU 105 N -2.28 -0.22 -2.84 4.02 4.71 -1.26 -4.52 120.64 118.25 2crm n GLU 105 Ca 0.06 -0.05 -0.41 0.00 -0.01 0.00 0.00 57.16 56.74 2crm n GLU 105 Cb 0.54 -1.28 -0.04 0.00 -1.01 0.00 0.00 31.44 29.66 2crm n GLU 105 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2crm s SER 106 N -1.33 7.25 -0.71 1.62 1.04 -1.26 -4.62 113.70 115.69 2crm s SER 106 Ca 0.45 1.51 -0.17 0.00 0.48 0.00 0.00 55.95 58.21 2crm s SER 106 Cb -0.13 -2.51 0.14 0.00 0.10 0.00 0.00 66.02 63.61 2crm s SER 106 CO 0.75 -0.18 0.78 -0.22 0.98 0.00 0.00 173.24 175.35 2crm s LEU 107 N 0.79 5.74 -0.59 2.42 2.96 -0.37 -4.87 118.68 124.77 2crm s LEU 107 Ca 0.46 -1.90 -0.27 0.00 -0.22 0.00 0.00 54.13 52.20 2crm s LEU 107 Cb -0.20 -2.29 0.03 0.00 0.50 0.00 0.00 46.19 44.23 2crm s LEU 107 CO 0.25 -0.95 1.12 -0.22 -1.32 0.00 0.00 176.35 175.23 2crm s LEU 108 N 1.96 3.64 -0.24 -0.68 2.96 -1.26 -3.38 118.68 121.68 2crm s LEU 108 Ca 0.16 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 2crm s LEU 108 Cb -0.17 -2.99 0.05 0.00 0.50 0.00 0.00 46.19 43.57 2crm s LEU 108 CO -0.01 -1.44 -0.12 -0.69 -1.32 0.00 0.00 176.35 172.77 2crm s VAL 109 N 4.70 2.07 -0.22 1.68 1.01 -1.23 -5.01 120.40 123.40 2crm s VAL 109 Ca 0.38 -1.43 -0.19 0.00 0.00 0.00 0.00 61.98 60.74 2crm s VAL 109 Cb -0.09 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2crm s VAL 109 CO 0.22 0.09 0.57 0.00 0.00 0.00 0.00 175.10 175.99 2crm s GLN 110 N 1.18 4.17 0.24 2.72 -2.07 -1.26 -4.17 119.66 120.47 2crm s GLN 110 Ca -0.06 0.49 -0.30 0.00 -1.82 0.00 0.00 55.36 53.68 2crm s GLN 110 Cb -0.18 -3.59 -0.09 0.00 -1.09 0.00 0.00 33.01 28.05 2crm s GLN 110 CO -0.07 -0.25 0.98 0.95 -1.32 0.00 0.00 175.29 175.58 2crm s THR 111 N 1.95 3.96 -0.35 3.63 -4.23 -1.22 -4.98 115.64 114.41 2crm s THR 111 Ca 0.26 1.96 -0.28 0.00 -1.18 0.00 0.00 61.69 62.44 2crm s THR 111 Cb -0.16 -4.25 -0.01 0.00 1.34 0.00 0.00 72.50 69.42 2crm s THR 111 CO 0.10 0.46 1.70 -2.16 -0.54 0.00 0.00 174.62 174.18 2crm s PRO 112 N -1.19 3.41 -0.22 3.99 0.04 -1.26 -2.29 135.00 137.49 2crm s PRO 112 Ca 0.42 1.32 -0.39 0.00 0.04 0.00 0.00 61.00 62.38 2crm s PRO 112 Cb -0.27 -4.15 -0.16 0.00 0.04 0.00 0.00 34.50 29.96 2crm s PRO 112 CO 0.34 -1.77 1.69 0.00 0.04 0.00 0.00 177.00 177.31 2crm n ALA 113 N 9.86 -0.25 -1.56 8.56 0.00 -1.26 -4.53 120.51 131.32 2crm n ALA 113 Ca 0.21 0.40 -0.38 0.00 0.00 0.00 0.00 53.44 53.67 2crm n ALA 113 Cb 0.47 -2.22 0.04 0.00 0.00 0.00 0.00 19.45 17.74 2crm n ALA 113 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2crm n VAL 114 N 4.31 3.00 -3.42 0.00 0.24 -1.26 -4.94 118.33 116.26 2crm n VAL 114 Ca 0.25 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.67 2crm n VAL 114 Cb 0.15 -0.97 -0.06 0.00 -1.47 0.00 0.00 33.84 31.48 2crm n VAL 114 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2crm s SER 115 N -1.15 6.68 0.20 -1.34 0.15 -1.26 -5.05 113.70 111.92 2crm s SER 115 Ca 0.72 0.81 -0.09 0.00 0.70 0.00 0.00 55.95 58.08 2crm s SER 115 Cb -0.45 -2.25 0.03 0.00 -1.71 0.00 0.00 66.02 61.64 2crm s SER 115 CO 0.51 0.13 0.46 0.61 1.20 0.00 0.00 173.24 176.15 2crm n GLY 116 N 2.81 1.35 3.77 9.45 0.00 -1.26 -5.16 105.19 116.15 2crm n GLY 116 Ca -0.10 -1.13 -0.34 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.05 3.13 -0.18 1.61 0.04 -1.26 -5.01 135.00 131.28 2crm s PRO 117 Ca 0.09 1.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.48 2crm s PRO 117 Cb -0.03 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 2crm s PRO 117 CO 0.06 -1.01 -0.34 0.43 0.04 0.00 0.00 177.00 176.18 2crm n SER 118 N -1.76 1.93 -4.61 6.66 7.64 -1.26 -4.90 113.62 117.33 2crm n SER 118 Ca 0.11 0.35 -0.43 0.00 1.01 0.00 0.00 58.87 59.91 2crm n SER 118 Cb 0.51 -0.75 -0.03 0.00 -1.01 0.00 0.00 64.21 62.93 2crm n SER 118 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2crm s SER 119 N -5.93 5.68 0.00 6.43 0.15 -1.26 -5.36 113.70 113.41 2crm s SER 119 Ca -0.28 1.92 0.00 0.00 0.70 0.00 0.00 55.95 58.29 2crm s SER 119 Cb 0.04 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2crm s SER 119 CO 0.42 -1.78 0.00 0.61 1.20 0.00 0.00 173.24 173.69