#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 2.41 0.14 1.61 1.04 -1.26 -5.05 113.70 112.58 2crm s SER 2 Ca 0.00 -0.68 -0.22 0.00 0.48 0.00 0.00 55.95 55.53 2crm s SER 2 Cb 0.00 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.99 2crm s SER 2 CO 0.00 0.04 1.66 0.77 0.98 0.00 0.00 173.24 176.68 2crm h SER 3 N 4.09 -0.56 -6.41 7.02 4.64 -2.00 -3.46 113.55 116.88 2crm h SER 3 Ca -0.45 0.10 -0.49 0.00 -0.47 0.00 0.00 61.79 60.48 2crm h SER 3 Cb 1.18 0.26 -0.07 0.00 -0.31 0.00 0.00 62.40 63.46 2crm h SER 3 CO 0.40 -0.22 -0.79 0.61 -0.87 0.00 0.00 176.83 175.95 2crm n GLY 4 N -1.32 -0.44 4.37 -0.77 0.00 -1.26 -1.24 105.19 104.53 2crm n GLY 4 Ca -0.02 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.82 -1.40 -4.49 1.61 2.88 -1.26 -4.92 113.62 103.21 2crm n SER 5 Ca -0.01 -1.18 -0.24 0.00 -1.33 0.00 0.00 58.87 56.11 2crm n SER 5 Cb 0.54 -2.00 -0.10 0.00 -0.75 0.00 0.00 64.21 61.90 2crm n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2crm s SER 6 N -3.62 3.51 0.00 -3.46 0.01 -0.37 -4.92 113.70 104.85 2crm s SER 6 Ca 0.55 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 56.69 2crm s SER 6 Cb -0.31 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.62 2crm s SER 6 CO 0.99 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 175.13 2crm n GLY 7 N -0.68 1.76 3.60 3.44 0.00 -1.26 -4.95 105.19 107.11 2crm n GLY 7 Ca -0.05 -0.25 -0.51 0.00 0.00 0.00 0.00 46.02 45.21 2crm n GLY 7 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2crm n VAL 8 N 0.00 0.14 -4.52 1.61 3.14 -1.26 -4.98 118.33 112.46 2crm n VAL 8 Ca 0.00 -0.03 -0.25 0.00 -2.96 0.00 0.00 64.34 61.10 2crm n VAL 8 Cb 0.00 -0.93 -0.09 0.00 -1.06 0.00 0.00 33.84 31.76 2crm n VAL 8 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 2crm s VAL 9 N 0.44 1.02 -1.38 1.55 -7.23 -1.26 -4.84 120.40 108.70 2crm s VAL 9 Ca 0.82 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.95 2crm s VAL 9 Cb -0.90 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 33.46 2crm s VAL 9 CO 0.46 0.00 0.44 -0.62 -0.31 0.00 0.00 175.10 175.08 2crm n GLU 10 N -0.84 -2.84 -0.60 4.82 1.02 -1.26 -4.93 120.64 116.00 2crm n GLU 10 Ca -0.06 0.38 -0.30 0.00 -0.02 0.00 0.00 57.16 57.16 2crm n GLU 10 Cb 0.66 -4.37 0.27 0.00 -0.02 0.00 0.00 31.44 27.98 2crm n GLU 10 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2crm s PHE 11 N -3.92 -0.25 -0.25 -0.32 -0.12 -1.26 -5.06 117.98 106.80 2crm s PHE 11 Ca 0.07 0.56 -0.02 0.00 -0.05 0.00 0.00 56.93 57.49 2crm s PHE 11 Cb -0.03 -3.08 0.12 0.00 -0.63 0.00 0.00 43.02 39.40 2crm s PHE 11 CO 0.89 -4.63 0.29 0.99 -0.05 0.00 0.00 175.22 172.71 2crm s THR 12 N -2.51 -0.43 -1.06 -4.49 2.01 -1.26 -4.94 115.64 102.96 2crm s THR 12 Ca 0.69 -0.27 -0.03 0.00 0.31 0.00 0.00 61.69 62.40 2crm s THR 12 Cb -0.12 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.54 2crm s THR 12 CO 0.58 -0.30 0.05 0.41 -0.69 0.00 0.00 174.62 174.67 2crm n THR 13 N 5.33 -0.82 -2.58 -0.82 -1.04 -1.26 -4.84 114.28 108.25 2crm n THR 13 Ca -0.03 -0.36 -0.38 0.00 -2.04 0.00 0.00 64.05 61.24 2crm n THR 13 Cb 0.48 -0.79 -0.05 0.00 -1.82 0.00 0.00 70.33 68.16 2crm n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2crm s PRO 15 N -1.98 1.11 0.52 0.00 0.04 -1.26 -5.05 135.00 128.38 2crm s PRO 15 Ca 0.51 0.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 2crm s PRO 15 Cb -0.25 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 2crm s PRO 15 CO 0.31 -2.33 0.81 0.34 0.04 0.00 0.00 177.00 176.17 2crm s ASP 16 N -3.42 5.84 0.42 6.66 2.15 -1.25 -4.96 116.67 122.10 2crm s ASP 16 Ca 0.64 0.66 -0.25 0.00 0.43 0.00 0.00 52.55 54.02 2crm s ASP 16 Cb -0.18 -1.81 -0.08 0.00 -0.30 0.00 0.00 42.92 40.54 2crm s ASP 16 CO 0.57 -0.83 1.32 -1.59 -0.17 0.00 0.00 175.17 174.47 2crm s LYS 17 N -4.81 3.87 1.21 4.34 0.00 -1.26 -3.98 119.74 119.11 2crm s LYS 17 Ca 0.51 2.18 -0.20 0.00 0.00 0.00 0.00 55.97 58.46 2crm s LYS 17 Cb -0.10 -2.70 0.29 0.00 0.00 0.00 0.00 37.83 35.32 2crm s LYS 17 CO 0.43 -0.59 1.11 -1.25 0.00 0.00 0.00 175.35 175.06 2crm s PRO 18 N -2.33 -1.32 0.39 1.78 0.04 -1.26 -4.42 135.00 127.87 2crm s PRO 18 Ca 0.59 -0.10 0.08 0.00 0.04 0.00 0.00 61.00 61.60 2crm s PRO 18 Cb -0.39 -1.59 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 2crm s PRO 18 CO 0.49 -3.77 0.22 0.20 0.04 0.00 0.00 177.00 174.18 2crm s GLY 19 N -3.92 2.18 0.10 0.56 0.00 -1.26 -4.83 107.32 100.15 2crm s GLY 19 Ca 0.71 -1.98 -0.30 0.00 0.00 0.00 0.00 44.72 43.15 2crm s GLY 19 CO 0.56 -1.82 1.00 -0.42 0.00 0.00 0.00 173.10 172.42 2crm s ILE 20 N -2.52 4.45 0.75 0.90 1.01 -1.26 -4.67 121.20 119.85 2crm s ILE 20 Ca 0.42 1.97 -0.11 0.00 0.00 0.00 0.00 60.65 62.93 2crm s ILE 20 Cb 0.00 -4.26 0.05 0.00 0.01 0.00 0.00 42.46 38.26 2crm s ILE 20 CO 0.24 0.27 1.09 -2.16 0.00 0.00 0.00 174.94 174.39 2crm s PRO 21 N 0.18 2.36 0.22 2.79 0.04 -1.26 -4.86 135.00 134.46 2crm s PRO 21 Ca 0.49 1.21 -0.31 0.00 0.04 0.00 0.00 61.00 62.43 2crm s PRO 21 Cb -0.24 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 2crm s PRO 21 CO 0.30 -1.57 1.52 0.08 0.04 0.00 0.00 177.00 177.37 2crm s VAL 22 N -2.80 2.58 0.17 -0.36 1.01 -1.13 -4.73 120.40 115.13 2crm s VAL 22 Ca 0.62 0.45 -0.31 0.00 0.00 0.00 0.00 61.98 62.74 2crm s VAL 22 Cb -0.18 -3.29 -0.17 0.00 0.00 0.00 0.00 36.38 32.75 2crm s VAL 22 CO 0.53 0.06 0.81 1.17 0.00 0.00 0.00 175.10 177.66 2crm n LYS 23 N 3.06 0.38 -2.18 2.72 0.00 -1.26 -4.19 118.16 116.69 2crm n LYS 23 Ca 0.10 0.13 -0.42 0.00 0.00 0.00 0.00 58.31 58.12 2crm n LYS 23 Cb 0.39 -1.37 -0.03 0.00 0.00 0.00 0.00 35.03 34.02 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 -0.76 4.27 0.36 1.64 0.04 -1.26 -4.65 135.00 134.64 2crm s PRO 24 Ca 0.70 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.84 2crm s PRO 24 Cb -0.95 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 29.96 2crm s PRO 24 CO 0.56 -0.60 0.16 -1.12 0.04 0.00 0.00 177.00 176.03 2crm s SER 25 N 1.98 4.61 0.23 6.66 0.01 -1.11 -4.86 113.70 121.23 2crm s SER 25 Ca 0.65 -0.86 -0.30 0.00 1.31 0.00 0.00 55.95 56.76 2crm s SER 25 Cb -0.32 -0.65 -0.09 0.00 0.21 0.00 0.00 66.02 65.17 2crm s SER 25 CO 0.27 -0.37 0.99 -0.69 0.41 0.00 0.00 173.24 173.85 2crm s VAL 26 N -2.48 3.96 -0.17 3.43 1.01 -1.26 -1.89 120.40 123.00 2crm s VAL 26 Ca 0.39 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.28 2crm s VAL 26 Cb -0.01 -4.21 0.04 0.00 0.00 0.00 0.00 36.38 32.19 2crm s VAL 26 CO 0.23 0.43 -0.09 -0.75 0.00 0.00 0.00 175.10 174.91 2crm s LYS 27 N -1.04 1.85 1.33 2.72 2.20 -0.69 -4.87 119.74 121.25 2crm s LYS 27 Ca 0.43 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 2crm s LYS 27 Cb -0.27 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.90 2crm s LYS 27 CO 0.34 -0.37 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 2crm n GLY 28 N 4.79 0.85 3.19 5.54 0.00 -1.26 -4.33 105.19 113.96 2crm n GLY 28 Ca -0.14 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 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 2.86 -0.47 1.61 2.20 -1.26 -5.09 119.74 119.59 2crm s LYS 29 Ca 0.00 -0.81 -0.27 0.00 -0.36 0.00 0.00 55.97 54.52 2crm s LYS 29 Cb 0.00 -2.18 0.03 0.00 -1.51 0.00 0.00 37.83 34.17 2crm s LYS 29 CO 0.00 0.15 1.04 0.42 -0.36 0.00 0.00 175.35 176.59 2crm s ILE 30 N 0.42 4.33 0.87 5.43 1.01 -1.26 -4.77 121.20 127.23 2crm s ILE 30 Ca -0.18 1.00 -0.13 0.00 0.00 0.00 0.00 60.65 61.35 2crm s ILE 30 Cb -0.18 -4.52 0.14 0.00 0.01 0.00 0.00 42.46 37.91 2crm s ILE 30 CO 0.08 -0.93 1.22 -1.00 0.00 0.00 0.00 174.94 174.31 2crm s HIS 31 N 4.12 2.14 0.00 3.97 3.76 -0.92 -4.82 115.29 123.54 2crm s HIS 31 Ca 0.43 0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 55.75 2crm s HIS 31 Cb -0.09 -3.75 -0.00 0.00 1.11 0.00 0.00 32.58 29.85 2crm s HIS 31 CO 0.29 -2.19 0.86 0.43 -0.85 0.00 0.00 174.74 173.28 2crm n SER 32 N -3.47 -0.01 -3.01 1.40 7.64 -1.26 -3.44 113.62 111.46 2crm n SER 32 Ca 0.12 0.86 -0.20 0.00 1.01 0.00 0.00 58.87 60.66 2crm n SER 32 Cb 0.60 -0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 2crm n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2crm n HIS 33 N -2.89 1.64 -3.15 1.43 1.44 -1.26 -3.97 115.22 108.46 2crm n HIS 33 Ca 0.00 -3.70 0.05 0.00 -2.01 0.00 0.00 57.72 52.06 2crm n HIS 33 Cb 0.00 -0.41 -0.01 0.00 0.12 0.00 0.00 29.99 29.69 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 -2.89 -0.46 0.00 4.39 1.04 -1.22 -3.40 113.70 111.16 2crm s SER 34 Ca 0.42 0.22 -0.04 0.00 0.48 0.00 0.00 55.95 57.03 2crm s SER 34 Cb 0.35 1.36 -0.00 0.00 0.10 0.00 0.00 66.02 67.82 2crm s SER 34 CO -0.09 -0.09 0.07 0.72 0.98 0.00 0.00 173.24 174.84 2crm s PHE 35 N 2.95 0.09 0.02 5.02 -0.12 -1.24 -2.16 117.98 122.54 2crm s PHE 35 Ca 0.06 -0.20 -0.06 0.00 -0.05 0.00 0.00 56.93 56.67 2crm s PHE 35 Cb -0.08 -0.08 -0.05 0.00 -0.63 0.00 0.00 43.02 42.18 2crm s PHE 35 CO -0.14 -0.21 0.27 0.15 -0.05 0.00 0.00 175.22 175.24 2crm s LYS 36 N -1.16 3.58 -0.05 1.99 3.01 -1.26 -1.72 119.74 124.13 2crm s LYS 36 Ca -0.13 -0.08 0.02 0.00 -1.01 0.00 0.00 55.97 54.78 2crm s LYS 36 Cb -0.07 -3.07 0.01 0.00 -1.01 0.00 0.00 37.83 33.70 2crm s LYS 36 CO 0.00 0.64 -0.10 0.96 0.51 0.00 0.00 175.35 177.36 2crm s ILE 37 N -1.32 0.96 -0.07 2.17 -4.36 -0.96 -1.71 121.20 115.91 2crm s ILE 37 Ca 0.28 -0.39 0.03 0.00 -0.26 0.00 0.00 60.65 60.32 2crm s ILE 37 Cb -0.13 -0.89 0.00 0.00 1.25 0.00 0.00 42.46 42.69 2crm s ILE 37 CO 0.17 0.31 -0.17 0.28 0.24 0.00 0.00 174.94 175.77 2crm s THR 38 N 0.65 1.51 -0.12 8.37 -1.32 -0.79 -2.49 115.64 121.45 2crm s THR 38 Ca -0.12 -0.72 -0.00 0.00 -1.21 0.00 0.00 61.69 59.64 2crm s THR 38 Cb -0.15 -1.33 -0.02 0.00 -1.51 0.00 0.00 72.50 69.50 2crm s THR 38 CO 0.03 0.44 -0.11 -1.66 -2.21 0.00 0.00 174.62 171.10 2crm s TRP 39 N 0.39 2.84 0.64 9.09 -2.14 -1.16 -2.74 118.94 125.86 2crm s TRP 39 Ca -0.13 -0.48 -0.17 0.00 2.66 0.00 0.00 56.10 57.98 2crm s TRP 39 Cb -0.15 -1.82 -0.01 0.00 -3.10 0.00 0.00 33.47 28.38 2crm s TRP 39 CO 0.05 -0.10 1.16 -0.51 -2.66 0.00 0.00 176.95 174.90 2crm s ASP 40 N 0.13 5.00 0.89 -2.66 1.11 -1.26 -4.87 116.67 115.02 2crm s ASP 40 Ca -0.06 2.23 -0.12 0.00 0.18 0.00 0.00 52.55 54.79 2crm s ASP 40 Cb -0.15 -2.58 0.13 0.00 1.07 0.00 0.00 42.92 41.39 2crm s ASP 40 CO 0.04 -1.71 1.09 -2.16 1.18 0.00 0.00 175.17 173.61 2crm s PRO 41 N -3.70 1.27 -0.24 8.23 0.04 -1.26 -2.86 135.00 136.48 2crm s PRO 41 Ca 0.73 0.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 2crm s PRO 41 Cb -0.26 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2crm s PRO 41 CO 0.38 -2.23 1.62 -1.25 0.04 0.00 0.00 177.00 175.55 2crm s PRO 42 N -4.94 3.75 0.43 0.56 0.04 -1.26 -4.61 135.00 128.97 2crm s PRO 42 Ca 0.63 1.61 0.16 0.00 0.04 0.00 0.00 61.00 63.45 2crm s PRO 42 Cb -0.18 -4.05 0.97 0.00 0.04 0.00 0.00 34.50 31.28 2crm s PRO 42 CO 0.57 -1.35 1.93 1.57 0.04 0.00 0.00 177.00 179.76 2crm h LYS 43 N 10.91 0.00 -2.28 4.56 5.09 -1.92 -3.30 116.57 129.63 2crm h LYS 43 Ca -0.33 0.00 -0.59 0.00 0.09 0.00 0.00 60.65 59.82 2crm h LYS 43 Cb 1.15 0.00 -0.41 0.00 0.10 0.00 0.00 32.23 33.08 2crm h LYS 43 CO 1.01 0.25 -0.80 -0.25 -2.09 0.00 0.00 179.45 177.57 2crm n ASP 44 N -4.07 2.01 -4.70 7.07 8.00 -1.26 -5.09 116.55 118.50 2crm n ASP 44 Ca -0.02 -3.05 -0.42 0.00 0.71 0.00 0.00 54.79 52.01 2crm n ASP 44 Cb 0.32 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 2crm n ASP 44 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2crm s ASN 45 N -1.62 7.08 0.00 -2.24 3.84 -1.25 -4.68 114.94 116.07 2crm s ASN 45 Ca 0.35 1.92 0.00 0.00 0.21 0.00 0.00 52.86 55.35 2crm s ASN 45 Cb 0.12 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 2crm s ASN 45 CO -0.09 -0.51 0.00 0.61 -2.79 0.00 0.00 177.10 174.33 2crm n GLY 46 N 3.27 -2.90 1.49 1.21 0.00 -1.26 -4.70 105.19 102.30 2crm n GLY 46 Ca 0.10 -0.98 -0.02 0.00 0.00 0.00 0.00 46.02 45.12 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 2.62 3.03 -0.02 0.00 -1.26 -4.80 105.19 104.76 2crm n GLY 47 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.20 0.36 -0.31 4.61 0.00 -1.26 -3.94 121.76 121.03 2crm s ALA 48 Ca 0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 51.96 51.16 2crm s ALA 48 Cb 0.03 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.26 2crm s ALA 48 CO 0.00 -0.13 0.14 0.99 0.00 0.00 0.00 175.76 176.76 2crm s THR 49 N -1.72 4.47 0.20 0.00 2.01 -1.26 -4.98 115.64 114.37 2crm s THR 49 Ca -0.11 -0.49 -0.19 0.00 0.31 0.00 0.00 61.69 61.21 2crm s THR 49 Cb -0.08 -3.30 -0.12 0.00 0.01 0.00 0.00 72.50 69.01 2crm s THR 49 CO -0.01 0.06 0.26 -0.38 -0.69 0.00 0.00 174.62 173.85 2crm n ILE 50 N 4.96 1.08 -0.04 1.82 2.08 -1.26 -4.74 119.36 123.26 2crm n ILE 50 Ca -0.14 -0.37 -0.07 0.00 0.56 0.00 0.00 62.75 62.74 2crm n ILE 50 Cb 0.49 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 39.35 2crm n ILE 50 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 2crm n ASN 51 N 1.56 1.97 -3.54 4.38 5.15 0.14 -4.98 115.26 119.94 2crm n ASN 51 Ca 0.11 0.03 -0.17 0.00 -0.60 0.00 0.00 54.58 53.95 2crm n ASN 51 Cb 0.22 -0.17 -0.06 0.00 -0.53 0.00 0.00 39.78 39.24 2crm n ASN 51 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2crm s LYS 52 N -2.15 1.03 -0.51 1.20 2.20 -1.19 -4.89 119.74 115.44 2crm s LYS 52 Ca -0.10 0.14 -0.05 0.00 -0.36 0.00 0.00 55.97 55.59 2crm s LYS 52 Cb 0.03 0.48 0.13 0.00 -1.51 0.00 0.00 37.83 36.97 2crm s LYS 52 CO 0.15 -0.33 0.34 0.71 -0.36 0.00 0.00 175.35 175.86 2crm s TYR 53 N -1.45 3.50 -0.06 4.03 2.02 -0.11 -1.43 117.35 123.87 2crm s TYR 53 Ca -0.10 -2.36 -0.16 0.00 -0.37 0.00 0.00 57.07 54.08 2crm s TYR 53 Cb -0.01 -3.31 -0.05 0.00 -0.40 0.00 0.00 41.96 38.19 2crm s TYR 53 CO 0.07 -0.94 0.41 0.08 -1.57 0.00 0.00 175.55 173.60 2crm s VAL 54 N 0.78 5.12 0.28 0.71 1.01 -1.16 -4.07 120.40 123.06 2crm s VAL 54 Ca 0.11 0.83 0.12 0.00 0.00 0.00 0.00 61.98 63.03 2crm s VAL 54 Cb -0.22 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 2crm s VAL 54 CO -0.03 0.48 -0.19 -0.69 0.00 0.00 0.00 175.10 174.66 2crm s VAL 55 N -0.35 2.42 0.03 2.92 1.01 -1.24 -2.78 120.40 122.41 2crm s VAL 55 Ca 0.23 -2.39 0.00 0.00 0.00 0.00 0.00 61.98 59.83 2crm s VAL 55 Cb -0.16 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 2crm s VAL 55 CO 0.11 -0.41 -0.04 -1.61 0.00 0.00 0.00 175.10 173.15 2crm s GLU 56 N -3.52 0.41 0.00 2.72 2.02 -0.88 -3.34 118.70 116.11 2crm s GLU 56 Ca 0.30 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 54.59 2crm s GLU 56 Cb -0.04 0.01 -0.01 0.00 0.10 0.00 0.00 34.13 34.19 2crm s GLU 56 CO 0.15 -0.03 -0.10 1.41 0.02 0.00 0.00 175.26 176.71 2crm s MET 57 N -1.79 0.75 0.16 1.61 -2.45 -1.25 -2.13 119.30 114.20 2crm s MET 57 Ca -0.12 -0.43 0.06 0.00 -1.25 0.00 0.00 55.69 53.96 2crm s MET 57 Cb -0.08 -0.71 -0.04 0.00 1.25 0.00 0.00 34.83 35.25 2crm s MET 57 CO -0.02 0.19 -0.13 0.00 1.05 0.00 0.00 175.02 176.11 2crm s ALA 58 N -0.41 1.70 -0.49 4.11 0.00 1.00 -3.81 121.76 123.85 2crm s ALA 58 Ca 0.02 -1.49 -0.27 0.00 0.00 0.00 0.00 51.96 50.22 2crm s ALA 58 Cb -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2crm s ALA 58 CO -0.00 0.04 1.91 -1.21 0.00 0.00 0.00 175.76 176.50 2crm s GLU 59 N -3.32 2.82 0.00 0.00 2.02 -1.26 -2.31 118.70 116.66 2crm s GLU 59 Ca 0.16 1.02 0.00 0.00 0.02 0.00 0.00 54.97 56.17 2crm s GLU 59 Cb -0.01 -4.34 0.00 0.00 0.10 0.00 0.00 34.13 29.87 2crm s GLU 59 CO 0.04 -2.48 0.00 0.41 0.02 0.00 0.00 175.26 173.25 2crm n GLY 60 N 5.63 1.03 0.02 -1.39 0.00 -0.89 -3.91 105.19 105.69 2crm n GLY 60 Ca 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 2crm n GLY 60 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2crm h SER 61 N 0.00 0.00 -4.10 1.61 0.87 -1.89 -3.25 113.55 106.79 2crm h SER 61 Ca 0.00 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 60.04 2crm h SER 61 Cb 0.00 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.06 2crm h SER 61 CO 0.00 0.22 0.45 0.20 -0.53 0.00 0.00 176.83 177.18 2crm s ASN 62 N -4.10 5.33 0.00 6.23 0.01 -1.25 -4.53 114.94 116.62 2crm s ASN 62 Ca -0.01 2.31 0.00 0.00 -0.71 0.00 0.00 52.86 54.45 2crm s ASN 62 Cb 0.00 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.07 2crm s ASN 62 CO 0.02 -1.50 0.00 0.61 -1.51 0.00 0.00 177.10 174.72 2crm n GLY 63 N 0.36 0.10 3.55 0.66 0.00 -1.26 -4.64 105.19 103.96 2crm n GLY 63 Ca 0.13 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2crm n GLY 63 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2crm s ASN 64 N -1.72 4.58 -0.21 1.61 -0.87 -1.26 -4.10 114.94 112.97 2crm s ASN 64 Ca 0.00 0.81 -0.04 0.00 -1.57 0.00 0.00 52.86 52.06 2crm s ASN 64 Cb 0.00 -2.51 0.09 0.00 -0.02 0.00 0.00 41.25 38.81 2crm s ASN 64 CO 0.00 -2.85 0.20 -0.75 -2.57 0.00 0.00 177.10 171.13 2crm s LYS 65 N 8.04 0.18 -0.20 -0.60 2.47 -1.26 -5.06 119.74 123.30 2crm s LYS 65 Ca 0.90 0.10 -0.01 0.00 -1.56 0.00 0.00 55.97 55.41 2crm s LYS 65 Cb -0.16 -1.27 0.01 0.00 -1.46 0.00 0.00 37.83 34.96 2crm s LYS 65 CO 0.23 -0.70 -0.14 -1.58 0.16 0.00 0.00 175.35 173.32 2crm s TRP 66 N 2.29 2.87 -0.00 4.03 0.52 -1.26 -3.67 118.94 123.72 2crm s TRP 66 Ca 0.06 -1.45 0.01 0.00 0.02 0.00 0.00 56.10 54.75 2crm s TRP 66 Cb -0.16 -1.99 -0.00 0.00 -1.15 0.00 0.00 33.47 30.17 2crm s TRP 66 CO -0.14 -0.73 -0.04 -1.21 0.02 0.00 0.00 176.95 174.85 2crm s GLU 67 N 1.34 0.33 0.18 4.98 2.02 -1.25 -4.98 118.70 121.33 2crm s GLU 67 Ca 0.04 -0.14 -0.33 0.00 0.02 0.00 0.00 54.97 54.56 2crm s GLU 67 Cb -0.14 -0.32 -0.15 0.00 0.10 0.00 0.00 34.13 33.62 2crm s GLU 67 CO -0.09 0.08 1.26 -0.12 0.02 0.00 0.00 175.26 176.41 2crm n MET 68 N 3.00 1.40 0.00 1.61 1.56 -1.26 -3.86 117.12 119.56 2crm n MET 68 Ca -0.13 0.50 0.00 0.00 -0.27 0.00 0.00 57.70 57.80 2crm n MET 68 Cb 0.58 -2.06 0.00 0.00 2.15 0.00 0.00 33.22 33.89 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 1.81 0.00 -3.86 1.12 -5.35 -1.21 -4.99 119.36 106.88 2crm n ILE 69 Ca 0.15 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.53 2crm n ILE 69 Cb 0.26 -0.41 -0.08 0.00 -1.74 0.00 0.00 39.64 37.66 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 -1.68 0.08 -0.23 4.28 5.04 -1.26 -5.07 117.35 118.51 2crm s TYR 70 Ca 0.00 -0.33 -0.12 0.00 -2.44 0.00 0.00 57.07 54.17 2crm s TYR 70 Cb 0.00 -0.05 0.08 0.00 0.35 0.00 0.00 41.96 42.34 2crm s TYR 70 CO 0.00 -0.44 0.56 -1.54 -1.34 0.00 0.00 175.55 172.79 2crm s SER 71 N -2.18 -0.74 0.00 4.32 1.04 -1.26 -3.70 113.70 111.18 2crm s SER 71 Ca -0.04 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2crm s SER 71 Cb -0.00 1.20 0.00 0.00 0.10 0.00 0.00 66.02 67.32 2crm s SER 71 CO -0.05 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2crm n GLY 72 N 4.45 -0.51 0.56 7.32 0.00 -1.26 -5.02 105.19 110.73 2crm n GLY 72 Ca -0.20 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 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 2.17 -1.49 4.61 0.00 -1.26 -0.93 120.51 123.61 2crm n ALA 73 Ca 0.00 -0.47 -0.58 0.00 0.00 0.00 0.00 53.44 52.39 2crm n ALA 73 Cb 0.00 0.33 -0.08 0.00 0.00 0.00 0.00 19.45 19.70 2crm n ALA 73 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2crm n THR 74 N -3.44 0.00 -0.93 0.00 -1.04 -1.26 -4.70 114.28 102.91 2crm n THR 74 Ca -0.23 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.67 2crm n THR 74 Cb 0.67 -0.33 -0.11 0.00 -1.82 0.00 0.00 70.33 68.74 2crm n THR 74 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2crm n ARG 75 N 2.98 1.81 -3.49 -2.82 1.85 -1.26 -4.69 116.66 111.04 2crm n ARG 75 Ca 0.25 -0.94 0.00 0.00 -1.00 0.00 0.00 57.85 56.16 2crm n ARG 75 Cb -0.02 -1.78 -0.05 0.00 -1.05 0.00 0.00 32.46 29.56 2crm n ARG 75 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2crm s GLU 76 N 0.38 0.32 0.02 2.89 2.56 -1.26 -2.99 118.70 120.62 2crm s GLU 76 Ca 0.50 0.72 0.01 0.00 0.00 0.00 0.00 54.97 56.19 2crm s GLU 76 Cb 0.25 0.32 -0.01 0.00 2.00 0.00 0.00 34.13 36.69 2crm s GLU 76 CO -0.02 -0.09 -0.04 -1.58 -0.56 0.00 0.00 175.26 172.96 2crm s HIS 77 N 2.07 0.38 -0.37 5.30 5.65 -1.04 -4.98 115.29 122.31 2crm s HIS 77 Ca -0.05 -0.29 -0.21 0.00 0.25 0.00 0.00 55.06 54.76 2crm s HIS 77 Cb -0.05 -0.24 0.01 0.00 -1.18 0.00 0.00 32.58 31.11 2crm s HIS 77 CO -0.17 -0.07 0.68 -1.17 -0.65 0.00 0.00 174.74 173.37 2crm s LEU 78 N -0.82 4.23 -0.99 8.88 2.96 -1.26 -2.27 118.68 129.42 2crm s LEU 78 Ca -0.06 0.17 -0.22 0.00 -0.22 0.00 0.00 54.13 53.80 2crm s LEU 78 Cb -0.06 -2.86 0.07 0.00 0.50 0.00 0.00 46.19 43.85 2crm s LEU 78 CO -0.00 -0.66 1.35 0.00 -1.32 0.00 0.00 176.35 175.72 2crm n ASP 80 N 8.20 0.45 -3.06 0.00 5.75 -1.26 -3.73 116.55 122.89 2crm n ASP 80 Ca 0.29 -1.45 -0.23 0.00 -0.01 0.00 0.00 54.79 53.40 2crm n ASP 80 Cb 0.50 -0.39 0.04 0.00 -1.03 0.00 0.00 41.12 40.24 2crm n ASP 80 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2crm n ARG 81 N -2.10 -5.21 -2.66 0.11 5.12 -1.26 -4.99 116.66 105.66 2crm n ARG 81 Ca 0.08 0.91 -0.23 0.00 -1.93 0.00 0.00 57.85 56.68 2crm n ARG 81 Cb 0.29 -5.78 0.09 0.00 -1.16 0.00 0.00 32.46 25.90 2crm n ARG 81 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2crm s LEU 82 N -6.72 3.05 -0.07 0.55 1.43 -1.22 -5.10 118.68 110.60 2crm s LEU 82 Ca 0.33 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2crm s LEU 82 Cb -0.15 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 44.00 2crm s LEU 82 CO 0.41 -1.66 -0.13 0.20 0.23 0.00 0.00 176.35 175.39 2crm s ASN 83 N -4.67 1.99 0.50 2.29 0.01 -1.26 -4.72 114.94 109.07 2crm s ASN 83 Ca 0.64 -0.34 -0.21 0.00 -0.71 0.00 0.00 52.86 52.24 2crm s ASN 83 Cb -0.06 -0.91 -0.07 0.00 0.41 0.00 0.00 41.25 40.62 2crm s ASN 83 CO 0.42 0.04 1.15 -2.16 -1.51 0.00 0.00 177.10 175.04 2crm s PRO 84 N 0.71 3.58 -1.30 -0.60 0.04 -1.25 -3.55 135.00 132.62 2crm s PRO 84 Ca -0.13 1.70 -0.08 0.00 0.04 0.00 0.00 61.00 62.53 2crm s PRO 84 Cb -0.16 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.17 2crm s PRO 84 CO 0.03 -0.69 1.04 0.41 0.04 0.00 0.00 177.00 177.84 2crm n GLY 85 N 0.32 -0.45 3.33 0.56 0.00 -0.41 -4.78 105.19 103.76 2crm n GLY 85 Ca 0.09 0.18 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.96 3.08 -0.28 0.00 0.08 -1.26 -2.66 117.98 112.98 2crm s PHE 87 Ca 0.16 0.26 -0.16 0.00 0.12 0.00 0.00 56.93 57.31 2crm s PHE 87 Cb 0.03 -2.64 0.09 0.00 -0.57 0.00 0.00 43.02 39.93 2crm s PHE 87 CO -0.01 -0.73 0.72 0.71 -0.10 0.00 0.00 175.22 175.81 2crm s TYR 88 N -2.79 -1.01 -0.15 0.36 2.02 -1.25 -2.09 117.35 112.45 2crm s TYR 88 Ca 0.54 2.04 -0.04 0.00 -0.37 0.00 0.00 57.07 59.23 2crm s TYR 88 Cb -0.10 0.60 -0.03 0.00 -0.40 0.00 0.00 41.96 42.03 2crm s TYR 88 CO 0.40 -0.50 -0.01 1.03 -1.57 0.00 0.00 175.55 174.90 2crm s ARG 89 N 1.57 3.63 0.08 -0.62 0.52 -0.98 -2.73 118.95 120.42 2crm s ARG 89 Ca -0.10 -0.46 0.04 0.00 -0.52 0.00 0.00 55.73 54.69 2crm s ARG 89 Cb -0.05 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 2crm s ARG 89 CO -0.19 0.33 -0.11 -0.51 0.02 0.00 0.00 175.30 174.84 2crm s LEU 90 N 0.16 2.33 -0.11 2.53 1.02 -1.14 -0.00 118.68 123.47 2crm s LEU 90 Ca 0.00 -0.69 -0.07 0.00 0.02 0.00 0.00 54.13 53.39 2crm s LEU 90 Cb -0.13 -0.34 0.04 0.00 0.02 0.00 0.00 46.19 45.77 2crm s LEU 90 CO 0.02 -0.19 0.27 0.00 0.02 0.00 0.00 176.35 176.48 2crm s ARG 91 N -2.20 0.26 0.08 1.70 1.70 -0.91 -0.38 118.95 119.21 2crm s ARG 91 Ca -0.00 0.51 0.06 0.00 -0.47 0.00 0.00 55.73 55.83 2crm s ARG 91 Cb -0.07 -0.02 -0.04 0.00 -0.57 0.00 0.00 34.95 34.25 2crm s ARG 91 CO 0.01 -0.12 -0.09 0.08 -1.08 0.00 0.00 175.30 174.10 2crm s VAL 92 N 0.93 3.45 0.10 4.99 1.01 -1.26 -2.06 120.40 127.56 2crm s VAL 92 Ca -0.06 -1.13 -0.14 0.00 0.00 0.00 0.00 61.98 60.65 2crm s VAL 92 Cb -0.07 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.74 2crm s VAL 92 CO -0.06 0.19 0.33 -0.72 0.00 0.00 0.00 175.10 174.83 2crm s TYR 93 N -1.16 -0.09 -0.01 5.22 1.13 -1.12 -1.82 117.35 119.50 2crm s TYR 93 Ca 0.20 -0.21 0.02 0.00 -1.41 0.00 0.00 57.07 55.67 2crm s TYR 93 Cb -0.11 0.15 -0.03 0.00 -1.10 0.00 0.00 41.96 40.86 2crm s TYR 93 CO 0.12 -0.62 -0.05 0.00 -2.51 0.00 0.00 175.55 172.49 2crm s ILE 95 N -0.99 3.23 0.25 0.00 1.09 -0.51 -3.62 121.20 120.64 2crm s ILE 95 Ca 0.17 -0.65 -0.11 0.00 -1.10 0.00 0.00 60.65 58.96 2crm s ILE 95 Cb -0.11 -2.29 -0.01 0.00 -1.06 0.00 0.00 42.46 38.99 2crm s ILE 95 CO 0.07 0.58 0.45 -0.55 -0.10 0.00 0.00 174.94 175.39 2crm s SER 96 N -0.57 0.03 0.29 3.58 0.15 -0.84 0.28 113.70 116.62 2crm s SER 96 Ca 0.08 -1.04 0.19 0.00 0.70 0.00 0.00 55.95 55.88 2crm s SER 96 Cb -0.11 0.58 1.03 0.00 -1.71 0.00 0.00 66.02 65.81 2crm s SER 96 CO 0.01 -1.14 1.15 -0.67 1.20 0.00 0.00 173.24 173.80 2crm n ASP 97 N -0.49 0.21 -1.69 5.45 -0.08 -1.26 0.21 116.55 118.90 2crm n ASP 97 Ca -0.01 1.13 -0.11 0.00 -1.51 0.00 0.00 54.79 54.30 2crm n ASP 97 Cb 0.62 -0.55 0.03 0.00 2.34 0.00 0.00 41.12 43.56 2crm n ASP 97 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2crm n GLY 98 N -1.27 3.43 7.00 0.27 0.00 -1.26 -5.00 105.19 108.36 2crm n GLY 98 Ca 0.29 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.57 0.76 3.87 -0.02 0.00 0.56 -4.75 105.19 106.18 2crm n GLY 99 Ca 0.20 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 2crm n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2crm s GLN 100 N 0.00 3.71 0.43 1.61 -0.44 -1.26 -1.99 119.66 121.72 2crm s GLN 100 Ca 0.00 0.09 0.08 0.00 -2.50 0.00 0.00 55.36 53.03 2crm s GLN 100 Cb 0.00 -3.00 -0.01 0.00 -1.64 0.00 0.00 33.01 28.36 2crm s GLN 100 CO 0.00 0.57 0.40 -1.12 0.50 0.00 0.00 175.29 175.64 2crm s SER 101 N -1.83 5.04 0.29 6.67 0.01 -1.24 -5.04 113.70 117.61 2crm s SER 101 Ca 0.33 -0.78 -0.18 0.00 1.31 0.00 0.00 55.95 56.63 2crm s SER 101 Cb -0.14 -0.47 -0.13 0.00 0.21 0.00 0.00 66.02 65.50 2crm s SER 101 CO 0.18 -0.72 0.13 0.00 0.41 0.00 0.00 173.24 173.24 2crm n ALA 102 N -1.60 -2.62 -2.17 1.44 0.00 -1.26 -4.76 120.51 109.53 2crm n ALA 102 Ca 0.04 0.13 -0.26 0.00 0.00 0.00 0.00 53.44 53.35 2crm n ALA 102 Cb 0.62 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.23 4.12 0.55 0.00 -7.23 -1.26 -4.64 120.40 110.70 2crm s VAL 103 Ca 0.47 0.01 -0.12 0.00 -1.81 0.00 0.00 61.98 60.53 2crm s VAL 103 Cb -0.54 -3.60 -0.05 0.00 0.56 0.00 0.00 36.38 32.75 2crm s VAL 103 CO 0.49 -0.58 0.96 -0.94 -0.31 0.00 0.00 175.10 174.72 2crm s SER 104 N -4.23 6.39 1.01 4.85 1.04 -0.76 -4.99 113.70 117.01 2crm s SER 104 Ca 0.51 1.39 -0.19 0.00 0.48 0.00 0.00 55.95 58.14 2crm s SER 104 Cb -0.10 -2.44 -0.08 0.00 0.10 0.00 0.00 66.02 63.50 2crm s SER 104 CO 0.44 -0.70 -0.56 -0.62 0.98 0.00 0.00 173.24 172.78 2crm n GLU 105 N -2.18 -0.33 -2.64 4.02 4.71 -1.26 -4.52 120.64 118.44 2crm n GLU 105 Ca 0.05 -0.08 -0.42 0.00 -0.01 0.00 0.00 57.16 56.69 2crm n GLU 105 Cb 0.54 -1.32 -0.03 0.00 -1.01 0.00 0.00 31.44 29.63 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 -1.38 7.21 -0.67 1.62 1.04 -1.26 -4.59 113.70 115.67 2crm s SER 106 Ca 0.46 1.60 -0.21 0.00 0.48 0.00 0.00 55.95 58.27 2crm s SER 106 Cb -0.11 -2.56 0.09 0.00 0.10 0.00 0.00 66.02 63.54 2crm s SER 106 CO 0.73 -0.47 0.90 -0.22 0.98 0.00 0.00 173.24 175.16 2crm s LEU 107 N 2.01 4.79 -0.42 2.42 2.96 0.49 -4.84 118.68 126.09 2crm s LEU 107 Ca 0.50 -1.26 -0.25 0.00 -0.22 0.00 0.00 54.13 52.90 2crm s LEU 107 Cb -0.20 -2.38 0.02 0.00 0.50 0.00 0.00 46.19 44.13 2crm s LEU 107 CO 0.19 -1.29 0.89 -0.22 -1.32 0.00 0.00 176.35 174.60 2crm s LEU 108 N 3.45 4.05 -0.22 -0.68 2.96 -1.26 -2.88 118.68 124.11 2crm s LEU 108 Ca 0.20 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 2crm s LEU 108 Cb -0.18 -3.16 0.05 0.00 0.50 0.00 0.00 46.19 43.40 2crm s LEU 108 CO 0.06 -0.93 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.37 2crm s VAL 109 N 3.53 1.72 -0.11 1.68 1.01 -1.11 -4.98 120.40 122.15 2crm s VAL 109 Ca 0.36 -1.16 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 2crm s VAL 109 Cb -0.11 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2crm s VAL 109 CO 0.22 0.09 0.76 0.00 0.00 0.00 0.00 175.10 176.17 2crm s GLN 110 N 1.34 4.38 0.21 2.72 -2.07 -1.26 -3.75 119.66 121.23 2crm s GLN 110 Ca -0.03 0.95 -0.14 0.00 -1.82 0.00 0.00 55.36 54.32 2crm s GLN 110 Cb -0.17 -3.50 -0.08 0.00 -1.09 0.00 0.00 33.01 28.17 2crm s GLN 110 CO -0.07 -0.10 0.60 0.95 -1.32 0.00 0.00 175.29 175.35 2crm s THR 111 N 1.35 4.81 0.09 3.63 -4.23 -1.09 -4.98 115.64 115.23 2crm s THR 111 Ca 0.38 0.79 -0.31 0.00 -1.18 0.00 0.00 61.69 61.38 2crm s THR 111 Cb -0.17 -3.69 -0.07 0.00 1.34 0.00 0.00 72.50 69.90 2crm s THR 111 CO 0.16 0.07 1.38 -2.16 -0.54 0.00 0.00 174.62 173.54 2crm s PRO 112 N -2.39 4.32 -0.43 3.99 0.04 -1.26 -1.28 135.00 137.98 2crm s PRO 112 Ca 0.44 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 63.25 2crm s PRO 112 Cb -0.13 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.11 2crm s PRO 112 CO 0.20 -0.45 0.96 0.00 0.04 0.00 0.00 177.00 177.75 2crm s ALA 113 N 1.37 3.28 0.42 8.56 0.00 -1.26 -3.48 121.76 130.64 2crm s ALA 113 Ca 0.64 -0.63 -0.24 0.00 0.00 0.00 0.00 51.96 51.73 2crm s ALA 113 Cb -0.35 -3.65 -0.08 0.00 0.00 0.00 0.00 23.12 19.03 2crm s ALA 113 CO 0.30 -1.95 1.16 0.14 0.00 0.00 0.00 175.76 175.41 2crm s VAL 114 N 3.79 3.18 -1.05 0.00 -7.23 -1.26 -4.92 120.40 112.91 2crm s VAL 114 Ca 0.39 0.95 -0.23 0.00 -1.81 0.00 0.00 61.98 61.28 2crm s VAL 114 Cb -0.10 -3.51 -0.01 0.00 0.56 0.00 0.00 36.38 33.31 2crm s VAL 114 CO 0.25 0.05 1.79 -0.44 -0.31 0.00 0.00 175.10 176.44 2crm s SER 115 N -1.24 5.71 0.26 4.85 0.01 -1.26 -4.88 113.70 117.15 2crm s SER 115 Ca 0.59 -1.35 0.01 0.00 1.31 0.00 0.00 55.95 56.51 2crm s SER 115 Cb -0.29 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.36 2crm s SER 115 CO 0.36 -2.28 0.31 0.61 0.41 0.00 0.00 173.24 172.65 2crm n GLY 116 N 6.42 2.68 3.77 3.44 0.00 -1.26 -5.16 105.19 115.08 2crm n GLY 116 Ca 0.41 -1.66 -0.32 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 -2.76 2.52 0.06 1.61 0.04 -1.26 -5.00 135.00 130.20 2crm s PRO 117 Ca 0.25 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.57 2crm s PRO 117 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2crm s PRO 117 CO 0.18 -1.46 0.00 0.43 0.04 0.00 0.00 177.00 176.19 2crm n SER 118 N -2.98 0.29 -0.12 6.66 7.64 -1.26 -4.95 113.62 118.89 2crm n SER 118 Ca 0.10 0.09 -0.25 0.00 1.01 0.00 0.00 58.87 59.82 2crm n SER 118 Cb 0.52 -0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.59 2crm n SER 118 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2crm n SER 119 N -3.11 1.72 0.00 6.43 7.64 -1.26 -5.35 113.62 119.69 2crm n SER 119 Ca 0.00 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2crm n SER 119 Cb 0.22 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 2crm n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64