#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 1.63 -0.25 1.61 1.04 -1.26 -5.03 113.70 111.43 2crm s SER 2 Ca 0.00 -0.97 -0.15 0.00 0.48 0.00 0.00 55.95 55.31 2crm s SER 2 Cb 0.00 0.01 -0.10 0.00 0.10 0.00 0.00 66.02 66.03 2crm s SER 2 CO 0.00 -0.34 -0.35 -1.20 0.98 0.00 0.00 173.24 172.33 2crm n SER 3 N -0.02 1.93 0.00 7.02 7.64 -1.26 -5.13 113.62 123.80 2crm n SER 3 Ca -0.12 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2crm n SER 3 Cb 0.60 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2crm n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crm n GLY 4 N 1.33 0.56 2.94 0.23 0.00 -1.26 -5.10 105.19 103.88 2crm n GLY 4 Ca -0.44 -1.46 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 2crm n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2crm s SER 5 N -4.00 0.50 0.03 1.61 1.04 -1.26 -5.16 113.70 106.46 2crm s SER 5 Ca 0.00 -0.07 -0.04 0.00 0.48 0.00 0.00 55.95 56.32 2crm s SER 5 Cb 0.00 -0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 2crm s SER 5 CO 0.00 0.04 0.06 -0.94 0.98 0.00 0.00 173.24 173.38 2crm s SER 6 N -0.04 0.22 0.00 7.02 1.04 -1.26 -5.13 113.70 115.55 2crm s SER 6 Ca 0.01 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.87 2crm s SER 6 Cb -0.02 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2crm s SER 6 CO -0.00 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2crm n GLY 7 N 0.88 2.02 2.74 7.32 0.00 -1.26 -5.03 105.19 111.87 2crm n GLY 7 Ca -0.20 -2.00 -0.26 0.00 0.00 0.00 0.00 46.02 43.57 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 -2.39 0.43 -0.02 1.61 1.01 -1.26 -5.13 120.40 114.65 2crm s VAL 8 Ca 0.00 -0.25 -0.14 0.00 0.00 0.00 0.00 61.98 61.59 2crm s VAL 8 Cb 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.60 2crm s VAL 8 CO 0.00 -0.02 0.29 0.68 0.00 0.00 0.00 175.10 176.05 2crm s VAL 9 N 1.92 0.06 0.44 2.92 -7.23 -1.26 -5.18 120.40 112.07 2crm s VAL 9 Ca 0.02 -0.47 0.03 0.00 -1.81 0.00 0.00 61.98 59.75 2crm s VAL 9 Cb -0.15 -0.58 -0.03 0.00 0.56 0.00 0.00 36.38 36.18 2crm s VAL 9 CO -0.07 -0.26 0.06 -1.61 -0.31 0.00 0.00 175.10 172.91 2crm s GLU 10 N -1.24 2.02 0.36 4.82 8.01 -1.26 -5.16 118.70 126.25 2crm s GLU 10 Ca -0.13 -2.24 0.00 0.00 0.01 0.00 0.00 54.97 52.62 2crm s GLU 10 Cb -0.05 -1.12 -0.03 0.00 -4.31 0.00 0.00 34.13 28.62 2crm s GLU 10 CO 0.04 -0.36 0.57 -0.06 0.01 0.00 0.00 175.26 175.46 2crm s PHE 11 N -3.03 3.46 -0.41 1.61 0.08 -1.26 -4.99 117.98 113.43 2crm s PHE 11 Ca 0.19 0.34 -0.02 0.00 0.12 0.00 0.00 56.93 57.55 2crm s PHE 11 Cb 0.03 -1.96 0.22 0.00 -0.57 0.00 0.00 43.02 40.75 2crm s PHE 11 CO 0.10 0.05 2.18 0.25 -0.10 0.00 0.00 175.22 177.70 2crm n THR 12 N -1.83 3.04 -2.98 0.64 -2.24 -1.26 -4.94 114.28 104.71 2crm n THR 12 Ca -0.04 -2.17 -0.40 0.00 -2.27 0.00 0.00 64.05 59.17 2crm n THR 12 Cb 0.56 -1.36 -0.04 0.00 -2.10 0.00 0.00 70.33 67.39 2crm n THR 12 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2crm s THR 13 N -2.73 5.00 -0.04 4.28 2.01 -1.26 -4.96 115.64 117.95 2crm s THR 13 Ca 0.42 1.56 -0.03 0.00 0.31 0.00 0.00 61.69 63.95 2crm s THR 13 Cb 0.32 -4.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 2crm s THR 13 CO -0.06 0.21 0.19 0.00 -0.69 0.00 0.00 174.62 174.27 2crm n PRO 15 N -3.44 -0.69 -2.74 0.00 -0.04 -1.26 -5.00 135.00 121.83 2crm n PRO 15 Ca -0.01 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.07 2crm n PRO 15 Cb 0.04 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.44 2crm n PRO 15 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2crm s ASP 16 N -1.52 7.38 0.43 3.54 -1.08 -1.26 -5.02 116.67 119.14 2crm s ASP 16 Ca 0.00 1.91 -0.24 0.00 -0.52 0.00 0.00 52.55 53.69 2crm s ASP 16 Cb 0.00 -2.59 -0.08 0.00 -1.46 0.00 0.00 42.92 38.79 2crm s ASP 16 CO 0.00 -0.04 1.19 -0.54 0.52 0.00 0.00 175.17 176.30 2crm s LYS 17 N -1.82 3.90 0.00 4.34 1.02 -1.26 -4.34 119.74 121.58 2crm s LYS 17 Ca 0.48 1.85 0.11 0.00 0.02 0.00 0.00 55.97 58.43 2crm s LYS 17 Cb -0.22 -2.56 0.64 0.00 -0.52 0.00 0.00 37.83 35.17 2crm s LYS 17 CO 0.27 -0.46 1.07 -0.35 -0.92 0.00 0.00 175.35 174.97 2crm n PRO 18 N -0.18 0.49 -0.48 -1.68 -0.04 -1.26 -3.90 135.00 127.94 2crm n PRO 18 Ca 0.06 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 2crm n PRO 18 Cb 0.47 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.02 -1.51 3.73 0.55 0.00 -1.26 -4.08 105.19 102.59 2crm n GLY 19 Ca 0.08 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 2crm n GLY 19 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2crm s ILE 20 N -1.46 5.14 0.54 -0.61 1.09 -1.26 -4.58 121.20 120.06 2crm s ILE 20 Ca 0.00 1.05 -0.09 0.00 -1.10 0.00 0.00 60.65 60.51 2crm s ILE 20 Cb 0.00 -3.86 0.14 0.00 -1.06 0.00 0.00 42.46 37.68 2crm s ILE 20 CO 0.00 0.33 0.48 -0.81 -0.10 0.00 0.00 174.94 174.84 2crm n PRO 21 N 3.57 -1.97 -3.29 2.79 -0.04 -1.26 -4.86 135.00 129.94 2crm n PRO 21 Ca -0.06 -0.77 -0.39 0.00 -0.04 0.00 0.00 63.50 62.24 2crm n PRO 21 Cb 0.52 -0.72 -0.06 0.00 -0.04 0.00 0.00 33.50 33.19 2crm n PRO 21 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2crm s VAL 22 N -1.87 4.86 0.03 0.52 1.01 -1.15 -4.97 120.40 118.82 2crm s VAL 22 Ca 0.31 1.15 -0.35 0.00 0.00 0.00 0.00 61.98 63.09 2crm s VAL 22 Cb -0.03 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.34 2crm s VAL 22 CO 0.24 0.51 1.63 1.17 0.00 0.00 0.00 175.10 178.65 2crm n LYS 23 N 2.12 1.86 -2.25 2.72 0.00 -1.26 -4.30 118.16 117.05 2crm n LYS 23 Ca -0.10 0.68 -0.40 0.00 0.00 0.00 0.00 58.31 58.49 2crm n LYS 23 Cb 0.51 -2.43 -0.03 0.00 0.00 0.00 0.00 35.03 33.08 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 1.98 4.33 0.07 1.64 0.04 -1.26 -4.70 135.00 137.09 2crm s PRO 24 Ca 0.86 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.92 2crm s PRO 24 Cb -0.78 -2.98 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 2crm s PRO 24 CO 0.46 -0.13 -0.06 -1.12 0.04 0.00 0.00 177.00 176.19 2crm s SER 25 N -0.77 0.89 0.14 6.66 0.01 -1.10 -4.85 113.70 114.68 2crm s SER 25 Ca 0.50 -0.84 -0.30 0.00 1.31 0.00 0.00 55.95 56.62 2crm s SER 25 Cb -0.35 0.10 -0.07 0.00 0.21 0.00 0.00 66.02 65.91 2crm s SER 25 CO 0.46 -0.40 1.03 0.54 0.41 0.00 0.00 173.24 175.28 2crm s VAL 26 N -2.88 4.18 -0.21 3.43 0.11 -1.26 -0.97 120.40 122.80 2crm s VAL 26 Ca 0.03 1.84 -0.13 0.00 -2.93 0.00 0.00 61.98 60.79 2crm s VAL 26 Cb 0.00 -4.17 -0.05 0.00 -1.53 0.00 0.00 36.38 30.63 2crm s VAL 26 CO -0.04 0.30 0.25 -0.75 -3.33 0.00 0.00 175.10 171.53 2crm s LYS 27 N -0.15 4.14 4.02 1.54 2.20 -0.92 -4.91 119.74 125.66 2crm s LYS 27 Ca 0.48 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 2crm s LYS 27 Cb -0.26 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 2crm s LYS 27 CO 0.32 0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.79 2crm n GLY 28 N 3.98 0.38 3.91 5.54 0.00 -1.26 -4.71 105.19 113.04 2crm n GLY 28 Ca -0.12 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 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 3.51 -0.33 1.61 1.02 -1.26 -5.08 119.74 119.21 2crm s LYS 29 Ca 0.00 -0.30 -0.15 0.00 0.02 0.00 0.00 55.97 55.54 2crm s LYS 29 Cb 0.00 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.33 2crm s LYS 29 CO 0.00 0.55 0.36 0.42 -0.92 0.00 0.00 175.35 175.77 2crm s ILE 30 N -1.57 5.17 0.68 2.17 1.01 -1.26 -4.89 121.20 122.50 2crm s ILE 30 Ca 0.37 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 61.03 2crm s ILE 30 Cb -0.13 -3.81 0.17 0.00 0.01 0.00 0.00 42.46 38.70 2crm s ILE 30 CO 0.27 -0.06 0.67 1.41 0.00 0.00 0.00 174.94 177.23 2crm n HIS 31 N 5.38 -3.64 0.27 3.97 8.25 -1.15 -4.61 115.22 123.69 2crm n HIS 31 Ca -0.09 -0.60 -0.12 0.00 -0.26 0.00 0.00 57.72 56.65 2crm n HIS 31 Cb 0.50 -0.65 -0.06 0.00 1.12 0.00 0.00 29.99 30.90 2crm n HIS 31 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2crm h SER 32 N -1.76 -0.77 -1.67 0.41 0.87 -1.98 -3.38 113.55 105.27 2crm h SER 32 Ca -0.24 0.04 -0.47 0.00 -1.23 0.00 0.00 61.79 59.89 2crm h SER 32 Cb 0.72 0.22 -0.41 0.00 -0.44 0.00 0.00 62.40 62.50 2crm h SER 32 CO 0.16 -0.47 -1.07 0.00 -0.53 0.00 0.00 176.83 174.93 2crm n HIS 33 N -4.26 1.42 -3.21 2.24 1.44 -1.26 -3.47 115.22 108.12 2crm n HIS 33 Ca -0.09 -3.44 0.04 0.00 -2.01 0.00 0.00 57.72 52.22 2crm n HIS 33 Cb 0.31 -0.38 -0.03 0.00 0.12 0.00 0.00 29.99 30.01 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 -2.93 -0.31 -0.17 4.39 1.04 -1.26 -3.43 113.70 111.03 2crm s SER 34 Ca 0.38 0.29 -0.20 0.00 0.48 0.00 0.00 55.95 56.90 2crm s SER 34 Cb 0.38 1.30 0.05 0.00 0.10 0.00 0.00 66.02 67.85 2crm s SER 34 CO -0.06 -0.06 0.54 0.72 0.98 0.00 0.00 173.24 175.36 2crm s PHE 35 N 2.61 -0.57 0.20 5.02 -0.71 -1.25 -2.94 117.98 120.34 2crm s PHE 35 Ca -0.02 1.33 -0.06 0.00 -1.04 0.00 0.00 56.93 57.14 2crm s PHE 35 Cb -0.06 0.22 -0.06 0.00 -1.21 0.00 0.00 43.02 41.90 2crm s PHE 35 CO -0.13 -0.33 0.47 0.15 -1.34 0.00 0.00 175.22 174.05 2crm s LYS 36 N 0.02 3.68 -0.08 1.99 1.02 -1.26 -2.37 119.74 122.74 2crm s LYS 36 Ca -0.02 0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.02 2crm s LYS 36 Cb -0.04 -2.74 0.02 0.00 -0.52 0.00 0.00 37.83 34.56 2crm s LYS 36 CO 0.02 0.36 -0.08 0.96 -0.92 0.00 0.00 175.35 175.69 2crm s ILE 37 N -1.81 0.94 -0.08 2.17 -4.36 -0.58 -2.16 121.20 115.33 2crm s ILE 37 Ca 0.44 -0.29 0.02 0.00 -0.26 0.00 0.00 60.65 60.56 2crm s ILE 37 Cb -0.11 -0.94 -0.02 0.00 1.25 0.00 0.00 42.46 42.64 2crm s ILE 37 CO 0.25 0.34 -0.15 0.28 0.24 0.00 0.00 174.94 175.89 2crm s THR 38 N 1.28 2.95 0.24 8.37 -1.32 -0.14 -2.54 115.64 124.49 2crm s THR 38 Ca -0.04 -0.73 0.11 0.00 -1.21 0.00 0.00 61.69 59.82 2crm s THR 38 Cb -0.14 -2.18 -0.05 0.00 -1.51 0.00 0.00 72.50 68.62 2crm s THR 38 CO -0.03 0.56 -0.19 -1.66 -2.21 0.00 0.00 174.62 171.10 2crm s TRP 39 N -0.22 2.36 0.19 9.09 -2.14 0.48 -2.73 118.94 125.98 2crm s TRP 39 Ca 0.00 -0.32 -0.11 0.00 2.66 0.00 0.00 56.10 58.33 2crm s TRP 39 Cb -0.13 -1.08 -0.07 0.00 -3.10 0.00 0.00 33.47 29.08 2crm s TRP 39 CO 0.03 0.62 0.55 -0.51 -2.66 0.00 0.00 176.95 174.98 2crm s ASP 40 N -3.19 6.70 0.50 -2.66 1.01 -1.26 -4.73 116.67 113.03 2crm s ASP 40 Ca 0.27 0.98 -0.21 0.00 0.71 0.00 0.00 52.55 54.29 2crm s ASP 40 Cb -0.06 -2.25 -0.07 0.00 1.01 0.00 0.00 42.92 41.55 2crm s ASP 40 CO 0.14 -0.00 1.15 -2.16 0.21 0.00 0.00 175.17 174.51 2crm s PRO 41 N -2.47 3.58 -0.76 8.23 0.04 -1.26 -2.94 135.00 139.43 2crm s PRO 41 Ca 0.43 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 62.92 2crm s PRO 41 Cb -0.13 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 2crm s PRO 41 CO 0.20 -0.68 1.91 -1.25 0.04 0.00 0.00 177.00 177.22 2crm s PRO 42 N -2.95 2.58 0.27 0.56 0.04 -1.26 -4.77 135.00 129.47 2crm s PRO 42 Ca 0.68 0.14 0.07 0.00 0.04 0.00 0.00 61.00 61.93 2crm s PRO 42 Cb -0.26 -4.74 0.79 0.00 0.04 0.00 0.00 34.50 30.32 2crm s PRO 42 CO 0.31 -3.07 1.25 0.36 0.04 0.00 0.00 177.00 175.89 2crm n LYS 43 N 9.01 -0.06 -3.80 4.56 2.85 -1.26 -2.37 118.16 127.10 2crm n LYS 43 Ca 0.31 1.16 -0.34 0.00 -1.05 0.00 0.00 58.31 58.39 2crm n LYS 43 Cb 0.49 -1.93 -0.11 0.00 -0.65 0.00 0.00 35.03 32.84 2crm n LYS 43 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2crm s ASP 44 N -4.86 4.99 -0.32 -5.58 2.15 -1.26 -4.95 116.67 106.84 2crm s ASP 44 Ca -0.09 -3.10 -0.02 0.00 0.43 0.00 0.00 52.55 49.77 2crm s ASP 44 Cb 0.25 -1.78 0.15 0.00 -0.30 0.00 0.00 42.92 41.24 2crm s ASP 44 CO 0.62 -0.28 2.27 -0.46 -0.17 0.00 0.00 175.17 177.16 2crm n ASN 45 N 3.09 6.37 0.00 -0.34 0.23 -1.00 -4.42 115.26 119.20 2crm n ASN 45 Ca 0.10 -3.04 0.00 0.00 -0.53 0.00 0.00 54.58 51.10 2crm n ASN 45 Cb 0.36 -1.12 0.00 0.00 -2.08 0.00 0.00 39.78 36.94 2crm n ASN 45 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2crm n GLY 46 N 0.62 0.67 2.03 4.83 0.00 -1.25 -2.49 105.19 109.60 2crm n GLY 46 Ca 0.34 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 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 4.58 2.89 -0.02 0.00 -1.26 -4.85 105.19 106.53 2crm n GLY 47 Ca 0.00 -1.40 -0.23 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.59 0.94 0.02 4.61 0.00 -1.04 -4.80 121.76 118.90 2crm s ALA 48 Ca 0.44 -0.25 -0.30 0.00 0.00 0.00 0.00 51.96 51.85 2crm s ALA 48 Cb 0.35 -0.63 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2crm s ALA 48 CO 0.01 -0.18 1.02 0.99 0.00 0.00 0.00 175.76 177.61 2crm s THR 49 N 1.28 4.67 0.92 0.00 2.01 -1.26 -4.87 115.64 118.39 2crm s THR 49 Ca -0.05 1.93 -0.11 0.00 0.31 0.00 0.00 61.69 63.78 2crm s THR 49 Cb -0.14 -4.24 0.12 0.00 0.01 0.00 0.00 72.50 68.25 2crm s THR 49 CO -0.02 0.16 0.98 -0.38 -0.69 0.00 0.00 174.62 174.66 2crm n ILE 50 N 3.83 0.06 0.00 1.82 2.08 -1.26 -4.36 119.36 121.53 2crm n ILE 50 Ca 0.06 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2crm n ILE 50 Cb 0.50 -0.92 0.00 0.00 -0.75 0.00 0.00 39.64 38.47 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 -3.54 0.42 -3.72 4.38 5.15 -1.24 -4.96 115.26 111.75 2crm n ASN 51 Ca 0.11 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.98 2crm n ASN 51 Cb 0.52 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.71 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 -1.74 0.91 -0.47 1.20 2.20 -1.26 -4.89 119.74 115.69 2crm s LYS 52 Ca 0.00 -0.62 0.03 0.00 -0.36 0.00 0.00 55.97 55.02 2crm s LYS 52 Cb 0.00 0.39 0.12 0.00 -1.51 0.00 0.00 37.83 36.84 2crm s LYS 52 CO 0.00 -0.32 0.21 0.71 -0.36 0.00 0.00 175.35 175.59 2crm s TYR 53 N -3.13 3.41 0.05 4.03 2.02 -1.17 -2.66 117.35 119.89 2crm s TYR 53 Ca -0.01 -3.04 -0.18 0.00 -0.37 0.00 0.00 57.07 53.47 2crm s TYR 53 Cb 0.01 -2.91 -0.06 0.00 -0.40 0.00 0.00 41.96 38.59 2crm s TYR 53 CO -0.07 -0.83 0.53 0.08 -1.57 0.00 0.00 175.55 173.69 2crm s VAL 54 N 0.17 4.82 -0.12 0.71 1.01 -1.18 -4.21 120.40 121.61 2crm s VAL 54 Ca 0.15 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.26 2crm s VAL 54 Cb -0.23 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.30 2crm s VAL 54 CO -0.03 0.56 -0.19 -0.69 0.00 0.00 0.00 175.10 174.74 2crm s VAL 55 N -1.06 2.42 -0.20 2.92 1.01 -1.24 -2.78 120.40 121.48 2crm s VAL 55 Ca 0.28 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 2crm s VAL 55 Cb -0.19 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2crm s VAL 55 CO 0.17 0.54 0.14 -1.61 0.00 0.00 0.00 175.10 174.34 2crm s GLU 56 N 0.47 4.16 0.03 2.72 0.41 0.30 -3.09 118.70 123.70 2crm s GLU 56 Ca -0.13 -0.20 0.09 0.00 -0.41 0.00 0.00 54.97 54.31 2crm s GLU 56 Cb -0.17 -3.41 -0.03 0.00 -1.78 0.00 0.00 34.13 28.74 2crm s GLU 56 CO 0.06 0.32 -0.26 1.41 -0.49 0.00 0.00 175.26 176.30 2crm s MET 57 N 0.31 1.79 0.06 1.61 -2.45 -1.26 0.15 119.30 119.51 2crm s MET 57 Ca 0.09 -1.06 0.04 0.00 -1.25 0.00 0.00 55.69 53.51 2crm s MET 57 Cb -0.11 -1.92 -0.03 0.00 1.25 0.00 0.00 34.83 34.02 2crm s MET 57 CO -0.02 0.50 -0.12 0.00 1.05 0.00 0.00 175.02 176.44 2crm s ALA 58 N -0.77 0.95 -0.53 4.11 0.00 0.11 -3.88 121.76 121.77 2crm s ALA 58 Ca 0.11 -0.93 -0.27 0.00 0.00 0.00 0.00 51.96 50.87 2crm s ALA 58 Cb -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2crm s ALA 58 CO 0.02 0.09 1.95 -1.21 0.00 0.00 0.00 175.76 176.61 2crm s GLU 59 N -1.76 2.68 0.65 0.00 8.01 -1.26 -2.27 118.70 124.75 2crm s GLU 59 Ca -0.04 0.95 0.00 0.00 0.01 0.00 0.00 54.97 55.88 2crm s GLU 59 Cb -0.10 -4.39 0.00 0.00 -4.31 0.00 0.00 34.13 25.34 2crm s GLU 59 CO 0.01 -2.65 0.00 0.41 0.01 0.00 0.00 175.26 173.05 2crm n GLY 60 N 5.70 -0.57 1.58 -1.39 0.00 -1.09 -3.09 105.19 106.34 2crm n GLY 60 Ca 0.24 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.84 5.58 -4.02 1.61 3.41 -1.26 -3.95 113.62 111.15 2crm n SER 61 Ca 0.00 -2.55 -0.15 0.00 -0.26 0.00 0.00 58.87 55.91 2crm n SER 61 Cb 0.10 -1.11 -0.13 0.00 -0.26 0.00 0.00 64.21 62.81 2crm n SER 61 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2crm s ASN 62 N 1.59 0.85 0.25 4.04 -0.87 -1.18 -5.04 114.94 114.58 2crm s ASN 62 Ca 0.07 -0.33 0.00 0.00 -1.57 0.00 0.00 52.86 51.03 2crm s ASN 62 Cb 0.05 -0.03 0.00 0.00 -0.02 0.00 0.00 41.25 41.25 2crm s ASN 62 CO -0.00 -0.05 0.00 0.61 -2.57 0.00 0.00 177.10 175.09 2crm n GLY 63 N 2.22 -5.29 3.51 0.66 0.00 -1.26 -4.54 105.19 100.48 2crm n GLY 63 Ca -0.18 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 2crm n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crm s ASN 64 N -0.89 6.95 -0.33 1.61 4.22 -1.26 -4.72 114.94 120.52 2crm s ASN 64 Ca 0.00 -2.69 0.02 0.00 -2.14 0.00 0.00 52.86 48.04 2crm s ASN 64 Cb 0.00 -2.47 0.10 0.00 1.28 0.00 0.00 41.25 40.16 2crm s ASN 64 CO 0.00 -0.95 0.08 -0.54 -2.04 0.00 0.00 177.10 173.66 2crm s LYS 65 N 2.75 1.09 -0.22 3.55 1.02 -1.26 -5.10 119.74 121.57 2crm s LYS 65 Ca 0.47 -1.49 -0.06 0.00 0.02 0.00 0.00 55.97 54.91 2crm s LYS 65 Cb -0.00 -2.57 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 2crm s LYS 65 CO 0.02 -0.97 0.02 -1.58 -0.92 0.00 0.00 175.35 171.92 2crm s TRP 66 N 1.23 3.06 -0.05 3.18 0.52 -1.26 -4.32 118.94 121.29 2crm s TRP 66 Ca 0.11 -0.48 -0.01 0.00 0.02 0.00 0.00 56.10 55.74 2crm s TRP 66 Cb -0.18 -2.14 0.03 0.00 -1.15 0.00 0.00 33.47 30.02 2crm s TRP 66 CO -0.16 -0.30 0.02 -2.00 0.02 0.00 0.00 176.95 174.52 2crm s GLU 67 N 1.26 0.37 -0.40 4.98 -6.30 -1.25 -4.98 118.70 112.38 2crm s GLU 67 Ca 0.04 0.17 -0.38 0.00 -2.50 0.00 0.00 54.97 52.30 2crm s GLU 67 Cb -0.15 -0.76 -0.16 0.00 0.00 0.00 0.00 34.13 33.06 2crm s GLU 67 CO 0.02 -0.28 1.30 -0.12 0.02 0.00 0.00 175.26 176.20 2crm n MET 68 N 5.00 0.00 -0.01 4.30 0.00 -1.26 -4.29 117.12 120.85 2crm n MET 68 Ca -0.10 0.00 0.02 0.00 -0.00 0.00 0.00 57.70 57.62 2crm n MET 68 Cb 0.50 -1.23 -0.07 0.00 0.00 0.00 0.00 33.22 32.42 2crm n MET 68 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 175.97 176.41 2crm n ILE 69 N 3.21 0.16 -3.94 1.12 -5.35 -1.18 -5.02 119.36 108.37 2crm n ILE 69 Ca 0.25 -0.24 -0.10 0.00 -0.27 0.00 0.00 62.75 62.40 2crm n ILE 69 Cb -0.05 -0.02 -0.10 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 -2.48 0.20 -0.22 4.28 5.04 -1.25 -5.06 117.35 117.86 2crm s TYR 70 Ca -0.03 -0.46 -0.16 0.00 -2.44 0.00 0.00 57.07 53.97 2crm s TYR 70 Cb 0.05 -0.15 0.06 0.00 0.35 0.00 0.00 41.96 42.27 2crm s TYR 70 CO 0.35 -0.31 0.55 -1.54 -1.34 0.00 0.00 175.55 173.26 2crm s SER 71 N -1.87 -0.65 0.00 4.32 1.04 -1.26 -3.59 113.70 111.69 2crm s SER 71 Ca -0.09 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.50 2crm s SER 71 Cb -0.04 1.11 0.00 0.00 0.10 0.00 0.00 66.02 67.19 2crm s SER 71 CO -0.03 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2crm n GLY 72 N 3.47 -0.57 1.43 7.32 0.00 -1.26 -5.05 105.19 110.53 2crm n GLY 72 Ca -0.17 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2crm n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crm n ALA 73 N 0.00 3.00 -1.21 4.61 0.00 -1.26 -3.06 120.51 122.59 2crm n ALA 73 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 2crm n ALA 73 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.60 0.91 -0.70 0.00 5.66 -1.26 -4.36 114.28 111.92 2crm n THR 74 Ca 0.00 -0.46 -0.08 0.00 -3.05 0.00 0.00 64.05 60.46 2crm n THR 74 Cb 0.00 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 68.80 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 1.14 1.41 -3.76 1.09 3.00 -1.26 -4.79 116.66 113.48 2crm n ARG 75 Ca 0.12 -0.78 -0.13 0.00 -0.01 0.00 0.00 57.85 57.05 2crm n ARG 75 Cb 0.33 -1.31 -0.11 0.00 0.00 0.00 0.00 32.46 31.37 2crm n ARG 75 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2crm s GLU 76 N -0.89 0.40 0.05 5.56 2.12 -1.26 -0.39 118.70 124.29 2crm s GLU 76 Ca 0.16 0.39 -0.16 0.00 0.36 0.00 0.00 54.97 55.72 2crm s GLU 76 Cb 0.12 0.19 0.03 0.00 0.26 0.00 0.00 34.13 34.73 2crm s GLU 76 CO -0.00 -0.06 0.36 -1.58 -0.54 0.00 0.00 175.26 173.44 2crm s HIS 77 N 0.04 -0.19 -0.36 5.30 5.65 -1.05 -4.99 115.29 119.70 2crm s HIS 77 Ca -0.01 0.09 -0.13 0.00 0.25 0.00 0.00 55.06 55.26 2crm s HIS 77 Cb -0.03 0.16 -0.00 0.00 -1.18 0.00 0.00 32.58 31.54 2crm s HIS 77 CO 0.01 -0.55 0.24 -1.17 -0.65 0.00 0.00 174.74 172.62 2crm s LEU 78 N -2.07 4.64 -0.99 8.88 2.96 -1.26 -1.52 118.68 129.31 2crm s LEU 78 Ca -0.05 -0.60 -0.20 0.00 -0.22 0.00 0.00 54.13 53.06 2crm s LEU 78 Cb -0.01 -2.12 0.10 0.00 0.50 0.00 0.00 46.19 44.66 2crm s LEU 78 CO -0.03 -0.30 1.30 0.00 -1.32 0.00 0.00 176.35 176.00 2crm s ASP 80 N 4.18 3.60 -1.17 0.00 -4.77 -1.26 -3.89 116.67 113.36 2crm s ASP 80 Ca 0.39 -0.05 -0.08 0.00 -3.30 0.00 0.00 52.55 49.52 2crm s ASP 80 Cb -0.02 -0.12 0.01 0.00 -1.09 0.00 0.00 42.92 41.69 2crm s ASP 80 CO -0.09 -2.39 1.02 0.54 0.70 0.00 0.00 175.17 174.96 2crm n ARG 81 N -3.37 -6.86 -2.82 2.11 1.74 -1.26 -5.01 116.66 101.18 2crm n ARG 81 Ca 0.16 0.71 -0.21 0.00 -0.77 0.00 0.00 57.85 57.74 2crm n ARG 81 Cb 0.60 -5.41 0.06 0.00 -1.02 0.00 0.00 32.46 26.69 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 -6.41 3.20 -0.07 0.55 1.43 -1.22 -5.09 118.68 111.06 2crm s LEU 82 Ca 0.50 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2crm s LEU 82 Cb -0.22 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 43.85 2crm s LEU 82 CO 0.63 -1.35 -0.11 0.20 0.23 0.00 0.00 176.35 175.94 2crm s ASN 83 N -4.58 1.84 0.61 2.29 0.01 -1.26 -4.68 114.94 109.17 2crm s ASN 83 Ca 0.61 -0.30 -0.17 0.00 -0.71 0.00 0.00 52.86 52.29 2crm s ASN 83 Cb -0.07 -0.83 -0.03 0.00 0.41 0.00 0.00 41.25 40.73 2crm s ASN 83 CO 0.39 0.01 1.12 -2.16 -1.51 0.00 0.00 177.10 174.95 2crm s PRO 84 N 0.85 3.06 -1.35 -0.60 0.04 -1.23 -3.69 135.00 132.08 2crm s PRO 84 Ca -0.11 1.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.34 2crm s PRO 84 Cb -0.15 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2crm s PRO 84 CO 0.02 -1.06 1.15 0.41 0.04 0.00 0.00 177.00 177.55 2crm n GLY 85 N -0.21 -0.52 3.52 0.56 0.00 -0.46 -4.79 105.19 103.30 2crm n GLY 85 Ca 0.11 0.23 -0.14 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 -3.09 2.80 -0.29 0.00 0.08 -1.26 -3.35 117.98 112.86 2crm s PHE 87 Ca 0.29 -0.42 -0.15 0.00 0.12 0.00 0.00 56.93 56.76 2crm s PHE 87 Cb -0.01 -2.25 0.14 0.00 -0.57 0.00 0.00 43.02 40.34 2crm s PHE 87 CO 0.18 -0.25 0.93 0.71 -0.10 0.00 0.00 175.22 176.70 2crm s TYR 88 N -2.38 -0.70 -0.15 0.36 2.02 -1.26 -2.65 117.35 112.59 2crm s TYR 88 Ca 0.51 1.32 -0.06 0.00 -0.37 0.00 0.00 57.07 58.47 2crm s TYR 88 Cb -0.07 0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 41.87 2crm s TYR 88 CO 0.31 -0.34 0.07 1.03 -1.57 0.00 0.00 175.55 175.04 2crm s ARG 89 N 1.76 3.69 0.03 -0.62 0.52 -0.96 -3.36 118.95 120.01 2crm s ARG 89 Ca -0.07 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 54.86 2crm s ARG 89 Cb -0.05 -3.14 -0.02 0.00 0.52 0.00 0.00 34.95 32.26 2crm s ARG 89 CO -0.16 0.47 -0.09 -0.51 0.02 0.00 0.00 175.30 175.03 2crm s LEU 90 N -0.18 2.18 0.04 2.53 1.02 -1.12 0.09 118.68 123.25 2crm s LEU 90 Ca 0.08 -0.43 0.01 0.00 0.02 0.00 0.00 54.13 53.81 2crm s LEU 90 Cb -0.12 -0.28 -0.03 0.00 0.02 0.00 0.00 46.19 45.78 2crm s LEU 90 CO 0.01 -0.09 -0.05 -0.13 0.02 0.00 0.00 176.35 176.11 2crm s ARG 91 N -1.17 0.52 -0.00 1.70 0.52 0.12 0.47 118.95 121.11 2crm s ARG 91 Ca -0.05 -0.88 0.04 0.00 -0.52 0.00 0.00 55.73 54.32 2crm s ARG 91 Cb -0.08 -0.05 -0.01 0.00 0.52 0.00 0.00 34.95 35.33 2crm s ARG 91 CO 0.01 -0.02 -0.13 0.08 0.02 0.00 0.00 175.30 175.25 2crm s VAL 92 N -2.22 1.03 0.11 3.52 1.01 -1.26 -0.54 120.40 122.04 2crm s VAL 92 Ca -0.06 -0.61 -0.15 0.00 0.00 0.00 0.00 61.98 61.16 2crm s VAL 92 Cb -0.04 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.50 2crm s VAL 92 CO -0.03 0.25 0.37 -0.72 0.00 0.00 0.00 175.10 174.98 2crm s TYR 93 N -0.37 -0.17 0.10 5.22 1.13 -1.12 -2.53 117.35 119.62 2crm s TYR 93 Ca 0.05 -0.11 0.02 0.00 -1.41 0.00 0.00 57.07 55.62 2crm s TYR 93 Cb -0.05 0.21 -0.04 0.00 -1.10 0.00 0.00 41.96 40.98 2crm s TYR 93 CO -0.00 -0.66 0.16 0.00 -2.51 0.00 0.00 175.55 172.54 2crm s ILE 95 N -1.55 2.85 0.47 0.00 1.01 -1.09 -0.53 121.20 122.35 2crm s ILE 95 Ca 0.32 -3.98 0.08 0.00 0.00 0.00 0.00 60.65 57.07 2crm s ILE 95 Cb -0.12 -2.90 0.02 0.00 0.01 0.00 0.00 42.46 39.48 2crm s ILE 95 CO 0.25 -0.95 0.57 -0.94 0.00 0.00 0.00 174.94 173.87 2crm s SER 96 N -1.07 5.31 0.06 3.58 1.04 -1.17 -3.73 113.70 117.72 2crm s SER 96 Ca 0.22 -0.66 -0.25 0.00 0.48 0.00 0.00 55.95 55.74 2crm s SER 96 Cb -0.11 -0.33 -0.14 0.00 0.10 0.00 0.00 66.02 65.55 2crm s SER 96 CO -0.11 -0.90 0.62 0.47 0.98 0.00 0.00 173.24 174.29 2crm n ASP 97 N -1.87 -0.35 0.00 7.02 8.00 -1.26 -1.63 116.55 126.46 2crm n ASP 97 Ca 0.08 0.83 0.00 0.00 0.71 0.00 0.00 54.79 56.41 2crm n ASP 97 Cb 0.61 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 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 1.22 3.11 0.00 0.44 0.00 -1.26 -4.88 105.19 103.82 2crm n GLY 98 Ca 0.14 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.56 3.54 -0.02 0.00 -0.64 -4.77 105.19 102.73 2crm n GLY 99 Ca 0.00 0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 1.85 0.48 1.61 1.11 -1.26 -3.03 119.66 120.41 2crm s GLN 100 Ca 0.00 -1.81 0.07 0.00 0.01 0.00 0.00 55.36 53.63 2crm s GLN 100 Cb 0.00 -1.80 0.03 0.00 -1.01 0.00 0.00 33.01 30.23 2crm s GLN 100 CO 0.00 0.22 0.66 -1.54 0.01 0.00 0.00 175.29 174.64 2crm s SER 101 N -3.60 5.45 0.21 5.90 1.04 0.31 -4.92 113.70 118.09 2crm s SER 101 Ca 0.32 -0.44 -0.32 0.00 0.48 0.00 0.00 55.95 55.98 2crm s SER 101 Cb -0.01 -0.48 -0.12 0.00 0.10 0.00 0.00 66.02 65.50 2crm s SER 101 CO 0.17 -0.96 1.67 0.00 0.98 0.00 0.00 173.24 175.09 2crm n ALA 102 N -2.03 2.45 -2.06 5.32 0.00 -1.26 -4.74 120.51 118.19 2crm n ALA 102 Ca 0.10 0.41 -0.43 0.00 0.00 0.00 0.00 53.44 53.52 2crm n ALA 102 Cb 0.60 -2.47 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 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 0.92 3.59 0.98 0.00 -7.23 -1.26 -4.73 120.40 112.66 2crm s VAL 103 Ca 0.74 0.63 -0.13 0.00 -1.81 0.00 0.00 61.98 61.41 2crm s VAL 103 Cb -0.54 -3.70 0.09 0.00 0.56 0.00 0.00 36.38 32.79 2crm s VAL 103 CO 0.36 -0.38 0.61 -1.54 -0.31 0.00 0.00 175.10 173.84 2crm n SER 104 N 9.39 -1.41 -4.17 4.85 3.41 -1.05 -4.93 113.62 119.71 2crm n SER 104 Ca 0.21 0.27 -0.33 0.00 -0.26 0.00 0.00 58.87 58.75 2crm n SER 104 Cb 0.46 -1.26 0.14 0.00 -0.26 0.00 0.00 64.21 63.29 2crm n SER 104 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2crm n GLU 105 N -2.70 -1.23 -3.24 4.33 0.28 -1.26 -4.50 120.64 112.31 2crm n GLU 105 Ca 0.07 -0.35 -0.37 0.00 -0.16 0.00 0.00 57.16 56.35 2crm n GLU 105 Cb 0.54 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.85 2crm n GLU 105 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2crm s SER 106 N -1.62 7.02 -0.40 -1.84 1.04 -1.26 -4.43 113.70 112.21 2crm s SER 106 Ca 0.50 1.27 -0.15 0.00 0.48 0.00 0.00 55.95 58.05 2crm s SER 106 Cb -0.05 -2.36 0.02 0.00 0.10 0.00 0.00 66.02 63.72 2crm s SER 106 CO 0.65 0.17 0.30 -0.22 0.98 0.00 0.00 173.24 175.12 2crm s LEU 107 N -1.53 5.03 -0.43 2.42 2.96 0.18 -4.80 118.68 122.50 2crm s LEU 107 Ca 0.35 -0.83 -0.21 0.00 -0.22 0.00 0.00 54.13 53.22 2crm s LEU 107 Cb -0.18 -2.17 0.02 0.00 0.50 0.00 0.00 46.19 44.36 2crm s LEU 107 CO 0.20 -0.43 0.63 -0.22 -1.32 0.00 0.00 176.35 175.21 2crm s LEU 108 N 1.71 4.48 -0.17 -0.68 2.96 -1.26 -2.81 118.68 122.91 2crm s LEU 108 Ca 0.06 -0.29 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 2crm s LEU 108 Cb -0.19 -2.72 0.03 0.00 0.50 0.00 0.00 46.19 43.81 2crm s LEU 108 CO 0.10 -0.75 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.57 2crm s VAL 109 N 2.78 1.64 -0.20 1.68 1.01 -1.21 -5.02 120.40 121.07 2crm s VAL 109 Ca 0.22 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 2crm s VAL 109 Cb -0.14 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 2crm s VAL 109 CO 0.18 0.34 0.68 0.00 0.00 0.00 0.00 175.10 176.31 2crm s GLN 110 N 1.43 4.21 0.18 2.72 -2.07 -1.26 -4.09 119.66 120.78 2crm s GLN 110 Ca 0.02 0.70 -0.18 0.00 -1.82 0.00 0.00 55.36 54.09 2crm s GLN 110 Cb -0.14 -3.59 -0.08 0.00 -1.09 0.00 0.00 33.01 28.11 2crm s GLN 110 CO -0.10 -0.30 0.64 0.95 -1.32 0.00 0.00 175.29 175.17 2crm s THR 111 N 2.10 4.69 -0.09 3.63 -4.23 -1.21 -4.99 115.64 115.53 2crm s THR 111 Ca 0.30 1.11 -0.30 0.00 -1.18 0.00 0.00 61.69 61.63 2crm s THR 111 Cb -0.16 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.82 2crm s THR 111 CO 0.10 0.26 1.52 -2.16 -0.54 0.00 0.00 174.62 173.80 2crm s PRO 112 N -1.87 4.19 -0.30 3.99 0.04 -1.26 -1.35 135.00 138.45 2crm s PRO 112 Ca 0.39 2.00 -0.29 0.00 0.04 0.00 0.00 61.00 63.15 2crm s PRO 112 Cb -0.16 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.47 2crm s PRO 112 CO 0.20 -0.80 1.30 0.00 0.04 0.00 0.00 177.00 177.74 2crm s ALA 113 N 3.87 3.36 0.56 8.56 0.00 -1.26 -4.11 121.76 132.74 2crm s ALA 113 Ca 0.67 0.10 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 2crm s ALA 113 Cb -0.29 -3.78 -0.03 0.00 0.00 0.00 0.00 23.12 19.02 2crm s ALA 113 CO 0.24 -1.78 0.92 0.14 0.00 0.00 0.00 175.76 175.29 2crm s VAL 114 N 4.38 4.69 0.00 0.00 -7.23 -1.26 -4.92 120.40 116.06 2crm s VAL 114 Ca 0.56 0.53 0.00 0.00 -1.81 0.00 0.00 61.98 61.26 2crm s VAL 114 Cb -0.17 -3.83 0.00 0.00 0.56 0.00 0.00 36.38 32.94 2crm s VAL 114 CO 0.23 -0.97 0.00 -0.24 -0.31 0.00 0.00 175.10 173.81 2crm n SER 115 N -2.55 1.00 0.00 4.85 2.88 -1.26 -5.07 113.62 113.47 2crm n SER 115 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 2crm n SER 115 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 2crm n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2crm n GLY 116 N 2.28 4.04 3.64 0.46 0.00 -1.26 -5.07 105.19 109.27 2crm n GLY 116 Ca 0.00 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.70 3.91 0.05 1.61 0.04 -1.26 -5.00 135.00 131.66 2crm s PRO 117 Ca 0.00 1.76 0.01 0.00 0.04 0.00 0.00 61.00 62.81 2crm s PRO 117 Cb 0.00 -4.00 -0.03 0.00 0.04 0.00 0.00 34.50 30.51 2crm s PRO 117 CO 0.00 -1.15 -0.06 0.45 0.04 0.00 0.00 177.00 176.28 2crm s SER 118 N 3.84 0.79 -0.06 6.66 0.15 -1.26 -5.16 113.70 118.66 2crm s SER 118 Ca 0.70 -0.71 -0.04 0.00 0.70 0.00 0.00 55.95 56.60 2crm s SER 118 Cb -0.26 0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.15 2crm s SER 118 CO 0.28 -0.33 0.14 -0.44 1.20 0.00 0.00 173.24 174.09 2crm s SER 119 N -2.09 -0.13 0.00 5.45 0.01 -1.26 -5.28 113.70 110.40 2crm s SER 119 Ca -0.03 0.29 0.28 0.00 1.31 0.00 0.00 55.95 57.79 2crm s SER 119 Cb -0.04 0.25 1.01 0.00 0.21 0.00 0.00 66.02 67.45 2crm s SER 119 CO -0.02 -0.08 1.72 0.61 0.41 0.00 0.00 173.24 175.88