#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crm s SER 2 N 0.00 0.35 0.32 1.61 0.01 -1.26 -5.19 113.70 109.54 2crm s SER 2 Ca 0.00 -1.22 0.03 0.00 1.31 0.00 0.00 55.95 56.07 2crm s SER 2 Cb 0.00 0.72 -0.05 0.00 0.21 0.00 0.00 66.02 66.91 2crm s SER 2 CO 0.00 -1.41 0.11 -0.55 0.41 0.00 0.00 173.24 171.79 2crm s SER 3 N -3.12 1.98 0.00 2.44 0.15 -1.26 -5.17 113.70 108.73 2crm s SER 3 Ca 0.23 -1.49 0.00 0.00 0.70 0.00 0.00 55.95 55.39 2crm s SER 3 Cb -0.02 0.22 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 2crm s SER 3 CO 0.14 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.41 2crm n GLY 4 N -0.66 2.06 3.97 9.45 0.00 -1.26 -5.18 105.19 113.57 2crm n GLY 4 Ca -0.02 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.05 2crm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2crm s SER 5 N 1.44 5.06 0.02 1.61 0.01 -1.26 -5.08 113.70 115.50 2crm s SER 5 Ca 0.00 -0.86 -0.04 0.00 1.31 0.00 0.00 55.95 56.36 2crm s SER 5 Cb 0.00 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.22 2crm s SER 5 CO 0.00 -1.05 -0.08 -1.20 0.41 0.00 0.00 173.24 171.32 2crm n SER 6 N -1.92 1.19 0.00 2.44 7.64 -1.26 -5.15 113.62 116.56 2crm n SER 6 Ca 0.08 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2crm n SER 6 Cb 0.62 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 2crm n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2crm n GLY 7 N 2.98 -1.16 3.18 0.23 0.00 -1.26 -5.01 105.19 104.14 2crm n GLY 7 Ca -0.04 -2.10 -0.24 0.00 0.00 0.00 0.00 46.02 43.64 2crm n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2crm s VAL 8 N 0.00 1.36 -0.08 1.61 0.11 -1.26 -5.14 120.40 117.00 2crm s VAL 8 Ca 0.00 -0.91 -0.30 0.00 -2.93 0.00 0.00 61.98 57.84 2crm s VAL 8 Cb 0.00 -1.17 0.10 0.00 -1.53 0.00 0.00 36.38 33.77 2crm s VAL 8 CO 0.00 0.24 0.82 0.54 -3.33 0.00 0.00 175.10 173.37 2crm s VAL 9 N -0.61 0.00 -0.56 2.04 0.11 -1.26 -5.05 120.40 115.07 2crm s VAL 9 Ca 0.06 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.12 2crm s VAL 9 Cb -0.07 -1.00 0.43 0.00 -1.53 0.00 0.00 36.38 34.21 2crm s VAL 9 CO 0.00 0.00 1.67 -0.62 -3.33 0.00 0.00 175.10 172.83 2crm n GLU 10 N 0.68 3.07 -4.12 1.54 1.02 -1.26 -4.95 120.64 116.62 2crm n GLU 10 Ca -0.15 -3.74 -0.10 0.00 -0.02 0.00 0.00 57.16 53.15 2crm n GLU 10 Cb 0.58 -2.28 -0.09 0.00 -0.02 0.00 0.00 31.44 29.63 2crm n GLU 10 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2crm s PHE 11 N -3.77 0.81 -1.22 -0.32 0.08 -1.26 -4.88 117.98 107.43 2crm s PHE 11 Ca 0.57 -1.17 -0.07 0.00 0.12 0.00 0.00 56.93 56.38 2crm s PHE 11 Cb 0.45 -0.41 0.07 0.00 -0.57 0.00 0.00 43.02 42.56 2crm s PHE 11 CO -0.09 -0.57 0.18 0.25 -0.10 0.00 0.00 175.22 174.89 2crm n THR 12 N -0.14 -0.42 -2.10 0.64 -2.24 -1.26 -4.81 114.28 103.95 2crm n THR 12 Ca -0.05 -0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.15 2crm n THR 12 Cb 0.64 -0.57 0.01 0.00 -2.10 0.00 0.00 70.33 68.31 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 -3.43 2.76 0.26 4.28 2.01 -1.26 -5.04 115.64 115.23 2crm s THR 13 Ca 0.25 0.56 0.06 0.00 0.31 0.00 0.00 61.69 62.87 2crm s THR 13 Cb -0.14 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 2crm s THR 13 CO 0.73 -0.02 0.29 0.00 -0.69 0.00 0.00 174.62 174.92 2crm n PRO 15 N -1.32 -2.00 -1.82 0.00 -0.04 -1.26 -5.03 135.00 123.53 2crm n PRO 15 Ca -0.07 -0.81 -0.31 0.00 -0.04 0.00 0.00 63.50 62.27 2crm n PRO 15 Cb 0.58 -0.76 0.02 0.00 -0.04 0.00 0.00 33.50 33.30 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 -2.88 6.00 0.53 3.54 1.01 -1.25 -5.02 116.67 118.60 2crm s ASP 16 Ca 0.33 1.43 -0.21 0.00 0.71 0.00 0.00 52.55 54.81 2crm s ASP 16 Cb -0.03 -2.43 -0.06 0.00 1.01 0.00 0.00 42.92 41.41 2crm s ASP 16 CO 0.25 -1.02 1.20 -1.59 0.21 0.00 0.00 175.17 174.23 2crm s LYS 17 N -5.17 3.35 0.39 8.23 -2.85 -1.26 -4.28 119.74 118.16 2crm s LYS 17 Ca 0.56 1.83 0.28 0.00 -1.00 0.00 0.00 55.97 57.64 2crm s LYS 17 Cb -0.12 -2.17 1.18 0.00 -2.06 0.00 0.00 37.83 34.67 2crm s LYS 17 CO 0.54 -0.90 1.84 -1.00 0.10 0.00 0.00 175.35 175.93 2crm h PRO 18 N 1.45 0.00 -1.19 1.78 0.13 -1.89 -3.23 132.00 129.05 2crm h PRO 18 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2crm h PRO 18 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2crm h PRO 18 CO 0.58 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.76 2crm n GLY 19 N -0.02 -1.12 3.53 1.56 0.00 -1.26 -3.94 105.19 103.94 2crm n GLY 19 Ca 0.01 -0.71 -0.60 0.00 0.00 0.00 0.00 46.02 44.72 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 1.06 0.00 -2.26 -0.61 5.41 -1.26 -4.74 119.36 116.96 2crm n ILE 20 Ca 0.00 -0.00 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 2crm n ILE 20 Cb 0.00 -0.08 0.00 0.00 -0.71 0.00 0.00 39.64 38.85 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 0.37 3.36 0.40 0.38 0.04 -1.26 -4.84 135.00 133.45 2crm s PRO 21 Ca 0.93 1.60 -0.26 0.00 0.04 0.00 0.00 61.00 63.30 2crm s PRO 21 Cb -1.29 -2.01 -0.10 0.00 0.04 0.00 0.00 34.50 31.14 2crm s PRO 21 CO 0.60 -0.84 1.31 0.28 0.04 0.00 0.00 177.00 178.39 2crm n VAL 22 N -1.31 2.36 -1.64 -0.36 0.31 -0.84 -4.53 118.33 112.32 2crm n VAL 22 Ca 0.12 -0.50 -0.46 0.00 -0.01 0.00 0.00 64.34 63.48 2crm n VAL 22 Cb 0.51 -1.64 -0.03 0.00 -0.91 0.00 0.00 33.84 31.77 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 0.21 1.77 -2.26 5.55 0.00 -1.26 -4.22 118.16 117.95 2crm n LYS 23 Ca 0.05 0.63 -0.38 0.00 0.00 0.00 0.00 58.31 58.61 2crm n LYS 23 Cb 0.39 -2.24 -0.01 0.00 0.00 0.00 0.00 35.03 33.16 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 -0.34 3.93 0.03 1.64 0.04 -1.26 -4.60 135.00 134.44 2crm s PRO 24 Ca 0.70 1.84 -0.00 0.00 0.04 0.00 0.00 61.00 63.58 2crm s PRO 24 Cb -0.71 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 2crm s PRO 24 CO 0.50 -0.43 -0.03 -1.12 0.04 0.00 0.00 177.00 175.96 2crm s SER 25 N -1.18 0.33 0.36 6.66 0.01 -1.01 -4.71 113.70 114.16 2crm s SER 25 Ca 0.60 -0.63 -0.24 0.00 1.31 0.00 0.00 55.95 56.98 2crm s SER 25 Cb -0.31 0.12 -0.10 0.00 0.21 0.00 0.00 66.02 65.95 2crm s SER 25 CO 0.38 -0.38 0.97 0.54 0.41 0.00 0.00 173.24 175.17 2crm s VAL 26 N -2.11 4.11 0.04 3.43 0.11 -1.26 0.36 120.40 125.08 2crm s VAL 26 Ca -0.10 1.62 0.05 0.00 -2.93 0.00 0.00 61.98 60.62 2crm s VAL 26 Cb -0.05 -3.84 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 2crm s VAL 26 CO -0.03 0.01 -0.07 -1.59 -3.33 0.00 0.00 175.10 170.09 2crm s LYS 27 N -2.40 2.43 2.10 1.54 -2.85 -0.23 -4.86 119.74 115.47 2crm s LYS 27 Ca 0.55 -0.82 0.00 0.00 -1.00 0.00 0.00 55.97 54.69 2crm s LYS 27 Cb -0.18 -2.45 0.00 0.00 -2.06 0.00 0.00 37.83 33.15 2crm s LYS 27 CO 0.23 0.57 0.00 0.41 0.10 0.00 0.00 175.35 176.65 2crm n GLY 28 N 1.22 -0.69 3.74 0.59 0.00 -1.26 -4.56 105.19 104.22 2crm n GLY 28 Ca -0.14 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 4.53 -0.44 1.61 2.20 -1.26 -4.99 119.74 121.39 2crm s LYS 29 Ca 0.00 1.82 -0.26 0.00 -0.36 0.00 0.00 55.97 57.17 2crm s LYS 29 Cb 0.00 -3.25 0.02 0.00 -1.51 0.00 0.00 37.83 33.10 2crm s LYS 29 CO 0.00 -0.02 0.95 0.42 -0.36 0.00 0.00 175.35 176.34 2crm s ILE 30 N -0.17 4.47 0.61 5.43 1.01 -1.26 -4.96 121.20 126.33 2crm s ILE 30 Ca 0.51 0.91 -0.10 0.00 0.00 0.00 0.00 60.65 61.97 2crm s ILE 30 Cb -0.32 -4.43 0.15 0.00 0.01 0.00 0.00 42.46 37.88 2crm s ILE 30 CO 0.36 -0.78 0.53 1.41 0.00 0.00 0.00 174.94 176.46 2crm n HIS 31 N 7.14 -3.38 0.21 3.97 8.25 -1.17 -4.78 115.22 125.46 2crm n HIS 31 Ca 0.07 -0.48 -0.10 0.00 -0.26 0.00 0.00 57.72 56.95 2crm n HIS 31 Cb 0.48 -0.56 -0.05 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.94 -0.70 -2.03 0.41 0.87 -1.96 -3.38 113.55 104.81 2crm h SER 32 Ca -0.20 0.05 -0.50 0.00 -1.23 0.00 0.00 61.79 59.90 2crm h SER 32 Cb 0.62 0.21 -0.41 0.00 -0.44 0.00 0.00 62.40 62.39 2crm h SER 32 CO 0.13 -0.40 -1.06 0.00 -0.53 0.00 0.00 176.83 174.98 2crm n HIS 33 N -4.01 1.21 -3.18 2.24 1.44 -1.26 -3.90 115.22 107.77 2crm n HIS 33 Ca -0.08 -3.82 0.05 0.00 -2.01 0.00 0.00 57.72 51.86 2crm n HIS 33 Cb 0.27 -0.43 -0.02 0.00 0.12 0.00 0.00 29.99 29.92 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 -2.73 -0.32 -0.18 4.39 1.04 -1.26 -3.49 113.70 111.15 2crm s SER 34 Ca 0.42 0.25 -0.18 0.00 0.48 0.00 0.00 55.95 56.92 2crm s SER 34 Cb 0.34 1.29 0.05 0.00 0.10 0.00 0.00 66.02 67.79 2crm s SER 34 CO -0.09 -0.06 0.51 0.72 0.98 0.00 0.00 173.24 175.29 2crm s PHE 35 N 2.79 -0.55 0.09 5.02 -0.12 -1.21 -3.05 117.98 120.95 2crm s PHE 35 Ca -0.03 1.33 -0.10 0.00 -0.05 0.00 0.00 56.93 58.08 2crm s PHE 35 Cb -0.08 0.19 -0.06 0.00 -0.63 0.00 0.00 43.02 42.44 2crm s PHE 35 CO -0.11 -0.28 0.41 0.21 -0.05 0.00 0.00 175.22 175.40 2crm s LYS 36 N 0.21 3.76 -0.10 1.99 2.20 -1.26 -1.29 119.74 125.25 2crm s LYS 36 Ca -0.00 0.17 0.03 0.00 -0.36 0.00 0.00 55.97 55.81 2crm s LYS 36 Cb -0.04 -2.98 0.00 0.00 -1.51 0.00 0.00 37.83 33.31 2crm s LYS 36 CO 0.01 0.55 -0.22 0.96 -0.36 0.00 0.00 175.35 176.29 2crm s ILE 37 N -1.43 1.89 -0.09 5.43 -4.36 -0.67 -1.07 121.20 120.91 2crm s ILE 37 Ca 0.34 -0.91 0.04 0.00 -0.26 0.00 0.00 60.65 59.86 2crm s ILE 37 Cb -0.14 -1.65 -0.00 0.00 1.25 0.00 0.00 42.46 41.92 2crm s ILE 37 CO 0.19 0.52 -0.24 0.28 0.24 0.00 0.00 174.94 175.93 2crm s THR 38 N 0.47 2.11 0.07 8.37 -1.32 0.16 -2.52 115.64 122.97 2crm s THR 38 Ca -0.17 -1.02 0.08 0.00 -1.21 0.00 0.00 61.69 59.38 2crm s THR 38 Cb -0.17 -1.79 -0.04 0.00 -1.51 0.00 0.00 72.50 68.99 2crm s THR 38 CO 0.07 0.56 -0.19 -1.66 -2.21 0.00 0.00 174.62 171.19 2crm s TRP 39 N 0.19 2.53 0.21 9.09 -2.14 -0.84 -2.41 118.94 125.57 2crm s TRP 39 Ca -0.14 -0.27 -0.24 0.00 2.66 0.00 0.00 56.10 58.11 2crm s TRP 39 Cb -0.17 -1.41 -0.08 0.00 -3.10 0.00 0.00 33.47 28.71 2crm s TRP 39 CO 0.07 0.30 0.79 -0.51 -2.66 0.00 0.00 176.95 174.94 2crm s ASP 40 N -1.70 7.29 1.01 -2.66 1.01 -1.26 -4.86 116.67 115.51 2crm s ASP 40 Ca 0.16 1.62 -0.13 0.00 0.71 0.00 0.00 52.55 54.91 2crm s ASP 40 Cb -0.10 -2.49 0.20 0.00 1.01 0.00 0.00 42.92 41.53 2crm s ASP 40 CO 0.07 0.12 1.09 -2.16 0.21 0.00 0.00 175.17 174.50 2crm s PRO 41 N -1.53 0.30 -0.06 8.23 0.04 -1.26 -1.99 135.00 138.74 2crm s PRO 41 Ca 0.40 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.62 2crm s PRO 41 Cb -0.21 -1.73 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 2crm s PRO 41 CO 0.24 -2.81 1.49 -1.25 0.04 0.00 0.00 177.00 174.72 2crm s PRO 42 N -4.97 4.22 0.24 0.56 0.04 -1.26 -4.60 135.00 129.24 2crm s PRO 42 Ca 0.66 2.02 0.11 0.00 0.04 0.00 0.00 61.00 63.82 2crm s PRO 42 Cb -0.19 -3.79 0.82 0.00 0.04 0.00 0.00 34.50 31.38 2crm s PRO 42 CO 0.58 -0.73 1.09 1.17 0.04 0.00 0.00 177.00 179.14 2crm n LYS 43 N 6.41 -0.05 -3.23 4.56 4.81 -1.26 -4.07 118.16 125.32 2crm n LYS 43 Ca 0.15 0.97 0.04 0.00 -0.87 0.00 0.00 58.31 58.60 2crm n LYS 43 Cb 0.43 -1.69 -0.02 0.00 0.02 0.00 0.00 35.03 33.77 2crm n LYS 43 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2crm s ASP 44 N -4.76 -0.95 0.62 3.14 2.15 -1.26 -5.15 116.67 110.46 2crm s ASP 44 Ca -0.07 0.74 -0.17 0.00 0.43 0.00 0.00 52.55 53.48 2crm s ASP 44 Cb 0.23 1.86 -0.08 0.00 -0.30 0.00 0.00 42.92 44.62 2crm s ASP 44 CO 0.54 -0.18 0.42 -0.46 -0.17 0.00 0.00 175.17 175.32 2crm n ASN 45 N 5.39 -1.50 -4.07 -0.34 0.23 -1.26 -4.91 115.26 108.79 2crm n ASN 45 Ca -0.05 0.67 -0.38 0.00 -0.53 0.00 0.00 54.58 54.29 2crm n ASN 45 Cb 0.52 -1.14 -0.04 0.00 -2.08 0.00 0.00 39.78 37.03 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 1.87 4.34 4.93 4.83 0.00 -1.22 -4.83 105.19 115.11 2crm n GLY 46 Ca 0.10 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.50 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 2.10 1.35 3.83 -0.02 0.00 -1.26 -3.83 105.19 107.36 2crm n GLY 47 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 3.10 -0.07 4.61 0.00 -1.26 -5.01 121.76 123.14 2crm s ALA 48 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2crm s ALA 48 Cb 0.00 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2crm s ALA 48 CO 0.00 0.11 -0.06 0.99 0.00 0.00 0.00 175.76 176.80 2crm s THR 49 N -2.21 3.79 0.11 0.00 2.01 -1.26 -4.81 115.64 113.26 2crm s THR 49 Ca 0.60 -0.45 -0.31 0.00 0.31 0.00 0.00 61.69 61.83 2crm s THR 49 Cb -0.09 -2.56 -0.09 0.00 0.01 0.00 0.00 72.50 69.77 2crm s THR 49 CO 0.17 0.59 1.65 -0.63 -0.69 0.00 0.00 174.62 175.71 2crm s ILE 50 N -0.83 2.82 -0.24 1.82 -1.09 -1.26 -4.56 121.20 117.86 2crm s ILE 50 Ca 0.13 0.42 -0.05 0.00 -2.23 0.00 0.00 60.65 58.92 2crm s ILE 50 Cb -0.11 -3.27 -0.13 0.00 -1.58 0.00 0.00 42.46 37.37 2crm s ILE 50 CO 0.02 0.01 -0.25 -3.20 -1.23 0.00 0.00 174.94 170.28 2crm n ASN 51 N 5.04 2.00 -3.62 3.58 5.15 -1.15 -5.04 115.26 121.21 2crm n ASN 51 Ca 0.15 0.07 -0.13 0.00 -0.60 0.00 0.00 54.58 54.07 2crm n ASN 51 Cb 0.39 -0.52 -0.06 0.00 -0.53 0.00 0.00 39.78 39.07 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 -2.45 0.99 -0.35 1.20 2.20 -1.25 -4.89 119.74 115.18 2crm s LYS 52 Ca -0.32 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 54.92 2crm s LYS 52 Cb 0.10 0.45 0.09 0.00 -1.51 0.00 0.00 37.83 36.96 2crm s LYS 52 CO 0.48 -0.36 0.08 0.71 -0.36 0.00 0.00 175.35 175.91 2crm s TYR 53 N -2.70 3.61 -0.13 4.03 2.02 0.52 -2.38 117.35 122.33 2crm s TYR 53 Ca -0.04 -2.63 -0.10 0.00 -0.37 0.00 0.00 57.07 53.93 2crm s TYR 53 Cb -0.00 -2.86 -0.05 0.00 -0.40 0.00 0.00 41.96 38.65 2crm s TYR 53 CO -0.04 -0.94 0.21 0.08 -1.57 0.00 0.00 175.55 173.29 2crm s VAL 54 N 1.04 5.37 0.01 0.71 1.01 -1.18 -3.34 120.40 124.02 2crm s VAL 54 Ca 0.07 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.44 2crm s VAL 54 Cb -0.20 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2crm s VAL 54 CO -0.06 0.53 0.01 -0.69 0.00 0.00 0.00 175.10 174.89 2crm s VAL 55 N -0.46 4.20 -0.20 2.92 1.01 -1.05 -2.96 120.40 123.86 2crm s VAL 55 Ca 0.15 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2crm s VAL 55 Cb -0.13 -2.90 0.04 0.00 0.00 0.00 0.00 36.38 33.40 2crm s VAL 55 CO 0.04 0.33 -0.09 -1.61 0.00 0.00 0.00 175.10 173.77 2crm s GLU 56 N -1.69 1.93 -0.02 2.72 2.02 0.10 -3.42 118.70 120.34 2crm s GLU 56 Ca 0.21 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.41 2crm s GLU 56 Cb -0.12 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 2crm s GLU 56 CO 0.12 -0.44 -0.10 1.41 0.02 0.00 0.00 175.26 176.26 2crm s MET 57 N 1.42 2.52 0.31 1.61 1.75 -1.20 0.14 119.30 125.85 2crm s MET 57 Ca -0.01 -0.71 0.10 0.00 -1.25 0.00 0.00 55.69 53.82 2crm s MET 57 Cb -0.16 -2.45 -0.06 0.00 2.84 0.00 0.00 34.83 35.00 2crm s MET 57 CO -0.08 0.61 -0.13 0.00 -0.65 0.00 0.00 175.02 174.77 2crm s ALA 58 N -0.87 2.83 -0.45 4.11 0.00 0.38 -3.41 121.76 124.34 2crm s ALA 58 Ca 0.14 -1.99 -0.28 0.00 0.00 0.00 0.00 51.96 49.83 2crm s ALA 58 Cb -0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 2crm s ALA 58 CO 0.04 0.15 1.58 -2.00 0.00 0.00 0.00 175.76 175.53 2crm s GLU 59 N -3.58 3.31 2.47 0.00 2.12 -1.26 -3.37 118.70 118.38 2crm s GLU 59 Ca 0.31 0.91 0.00 0.00 0.36 0.00 0.00 54.97 56.55 2crm s GLU 59 Cb -0.00 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.24 2crm s GLU 59 CO 0.15 -1.90 0.00 0.41 -0.54 0.00 0.00 175.26 173.38 2crm n GLY 60 N 5.31 1.86 0.14 -1.50 0.00 -1.20 -4.13 105.19 105.67 2crm n GLY 60 Ca 0.18 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2crm n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2crm n SER 61 N -1.05 1.96 -3.29 1.61 2.88 -1.26 -2.73 113.62 111.74 2crm n SER 61 Ca 0.00 0.34 -0.35 0.00 -1.33 0.00 0.00 58.87 57.53 2crm n SER 61 Cb 0.00 -0.82 -0.02 0.00 -0.75 0.00 0.00 64.21 62.62 2crm n SER 61 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2crm n ASN 62 N -4.25 -1.36 -4.71 -3.46 2.85 -1.26 -4.54 115.26 98.52 2crm n ASN 62 Ca -0.54 0.77 -0.66 0.00 -0.11 0.00 0.00 54.58 54.04 2crm n ASN 62 Cb 0.88 -0.70 -0.09 0.00 1.24 0.00 0.00 39.78 41.11 2crm n ASN 62 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2crm n GLY 63 N 1.60 0.17 3.37 8.20 0.00 -1.26 -4.81 105.19 112.46 2crm n GLY 63 Ca 0.12 0.96 -0.10 0.00 0.00 0.00 0.00 46.02 47.00 2crm n GLY 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2crm s ASN 64 N 2.56 0.05 -0.14 1.61 2.47 -1.26 -5.02 114.94 115.20 2crm s ASN 64 Ca 1.02 -1.09 -0.11 0.00 0.42 0.00 0.00 52.86 53.11 2crm s ASN 64 Cb -1.43 0.46 -0.05 0.00 -1.45 0.00 0.00 41.25 38.79 2crm s ASN 64 CO 0.77 -0.96 0.21 -0.75 -3.72 0.00 0.00 177.10 172.65 2crm s LYS 65 N -4.06 3.97 0.34 0.43 2.20 -1.26 -4.94 119.74 116.42 2crm s LYS 65 Ca 0.27 -0.03 -0.27 0.00 -0.36 0.00 0.00 55.97 55.58 2crm s LYS 65 Cb 0.03 -3.34 -0.09 0.00 -1.51 0.00 0.00 37.83 32.93 2crm s LYS 65 CO 0.07 0.46 1.07 -1.58 -0.36 0.00 0.00 175.35 175.02 2crm s TRP 66 N -0.15 3.42 0.04 4.03 0.52 -1.26 -4.69 118.94 120.84 2crm s TRP 66 Ca 0.14 1.67 -0.04 0.00 0.02 0.00 0.00 56.10 57.89 2crm s TRP 66 Cb -0.12 -3.21 -0.01 0.00 -1.15 0.00 0.00 33.47 28.97 2crm s TRP 66 CO 0.03 -0.59 0.07 -1.21 0.02 0.00 0.00 176.95 175.27 2crm s GLU 67 N -1.97 0.55 -0.04 4.98 2.02 -1.22 -5.00 118.70 118.02 2crm s GLU 67 Ca 0.51 -0.76 -0.30 0.00 0.02 0.00 0.00 54.97 54.44 2crm s GLU 67 Cb -0.27 0.21 -0.04 0.00 0.10 0.00 0.00 34.13 34.13 2crm s GLU 67 CO 0.34 -0.13 1.32 1.41 0.02 0.00 0.00 175.26 178.22 2crm s MET 68 N -2.53 4.30 -0.05 1.61 -2.45 -1.26 -3.25 119.30 115.67 2crm s MET 68 Ca -0.06 1.83 0.03 0.00 -1.25 0.00 0.00 55.69 56.25 2crm s MET 68 Cb -0.02 -3.60 -0.05 0.00 1.25 0.00 0.00 34.83 32.41 2crm s MET 68 CO -0.04 -0.55 -0.00 0.44 1.05 0.00 0.00 175.02 175.91 2crm n ILE 69 N 4.74 0.34 -3.83 10.11 -5.35 -1.22 -5.02 119.36 119.13 2crm n ILE 69 Ca 0.12 -0.19 -0.11 0.00 -0.27 0.00 0.00 62.75 62.30 2crm n ILE 69 Cb 0.45 -0.83 -0.09 0.00 -1.74 0.00 0.00 39.64 37.43 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 -2.12 -0.01 -0.14 4.28 5.04 -1.26 -5.06 117.35 118.08 2crm s TYR 70 Ca -0.04 -0.09 -0.23 0.00 -2.44 0.00 0.00 57.07 54.27 2crm s TYR 70 Cb 0.02 0.00 0.06 0.00 0.35 0.00 0.00 41.96 42.38 2crm s TYR 70 CO 0.18 -0.38 0.58 -1.54 -1.34 0.00 0.00 175.55 173.05 2crm s SER 71 N -1.70 -0.57 0.00 4.32 1.04 -1.26 -2.53 113.70 113.01 2crm s SER 71 Ca -0.10 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.21 2crm s SER 71 Cb -0.04 0.87 0.00 0.00 0.10 0.00 0.00 66.02 66.95 2crm s SER 71 CO -0.00 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.46 2crm n GLY 72 N 1.97 -0.08 0.05 7.32 0.00 -1.21 -5.00 105.19 108.23 2crm n GLY 72 Ca -0.16 -1.10 -0.05 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.32 0.46 -1.02 4.61 0.00 -1.26 -0.35 120.51 122.62 2crm n ALA 73 Ca 0.00 -0.53 -0.36 0.00 0.00 0.00 0.00 53.44 52.55 2crm n ALA 73 Cb 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.58 1.21 -1.05 0.00 -1.04 -1.26 -4.65 114.28 103.90 2crm n THR 74 Ca -0.07 -0.30 -0.25 0.00 -2.04 0.00 0.00 64.05 61.38 2crm n THR 74 Cb 0.27 0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.86 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 0.78 2.24 -3.30 -2.82 1.85 -1.26 -4.77 116.66 109.38 2crm n ARG 75 Ca 0.13 -2.53 -0.06 0.00 -1.00 0.00 0.00 57.85 54.40 2crm n ARG 75 Cb 0.16 -1.99 -0.06 0.00 -1.05 0.00 0.00 32.46 29.52 2crm n ARG 75 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2crm s GLU 76 N -2.90 0.41 0.07 2.89 2.02 -1.26 -1.99 118.70 117.94 2crm s GLU 76 Ca 0.49 0.62 0.09 0.00 0.02 0.00 0.00 54.97 56.19 2crm s GLU 76 Cb 0.39 -0.21 -0.03 0.00 0.10 0.00 0.00 34.13 34.39 2crm s GLU 76 CO 0.02 -0.68 -0.22 -3.38 0.02 0.00 0.00 175.26 171.02 2crm s HIS 77 N 2.63 2.46 -0.15 1.61 -3.43 -1.05 -4.93 115.29 112.42 2crm s HIS 77 Ca 0.14 -0.32 -0.19 0.00 -0.80 0.00 0.00 55.06 53.90 2crm s HIS 77 Cb -0.15 -1.39 -0.04 0.00 -1.43 0.00 0.00 32.58 29.57 2crm s HIS 77 CO -0.18 0.25 0.51 -1.17 -2.00 0.00 0.00 174.74 172.15 2crm s LEU 78 N -1.60 4.22 -0.92 5.38 2.96 -1.26 -1.66 118.68 125.81 2crm s LEU 78 Ca 0.14 0.78 -0.17 0.00 -0.22 0.00 0.00 54.13 54.66 2crm s LEU 78 Cb -0.10 -2.72 0.16 0.00 0.50 0.00 0.00 46.19 44.02 2crm s LEU 78 CO 0.05 -0.08 1.05 0.00 -1.32 0.00 0.00 176.35 176.05 2crm s ASP 80 N 3.21 4.81 -1.29 0.00 -4.77 -1.26 -3.31 116.67 114.06 2crm s ASP 80 Ca 0.29 -0.15 -0.03 0.00 -3.30 0.00 0.00 52.55 49.36 2crm s ASP 80 Cb -0.06 -0.48 0.01 0.00 -1.09 0.00 0.00 42.92 41.30 2crm s ASP 80 CO -0.09 -1.51 0.98 0.54 0.70 0.00 0.00 175.17 175.78 2crm n ARG 81 N -2.61 -6.49 -3.28 2.11 1.74 -1.26 -5.00 116.66 101.86 2crm n ARG 81 Ca 0.11 0.78 -0.19 0.00 -0.77 0.00 0.00 57.85 57.78 2crm n ARG 81 Cb 0.60 -5.70 -0.00 0.00 -1.02 0.00 0.00 32.46 26.34 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 -6.72 3.43 -0.13 0.55 1.43 -1.23 -5.09 118.68 110.92 2crm s LEU 82 Ca 0.19 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 2crm s LEU 82 Cb -0.09 -2.21 0.01 0.00 0.03 0.00 0.00 46.19 43.94 2crm s LEU 82 CO 0.76 -0.82 -0.21 0.21 0.23 0.00 0.00 176.35 176.52 2crm s ASN 83 N -4.30 2.98 0.80 2.29 3.84 -1.26 -4.66 114.94 114.62 2crm s ASN 83 Ca 0.52 -0.57 -0.11 0.00 0.21 0.00 0.00 52.86 52.92 2crm s ASN 83 Cb -0.06 -1.37 0.08 0.00 -0.55 0.00 0.00 41.25 39.34 2crm s ASN 83 CO 0.31 0.07 1.09 -2.16 -2.79 0.00 0.00 177.10 173.63 2crm s PRO 84 N 0.81 2.00 -1.40 0.43 0.04 -1.25 -3.86 135.00 131.76 2crm s PRO 84 Ca -0.08 1.08 -0.09 0.00 0.04 0.00 0.00 61.00 61.94 2crm s PRO 84 Cb -0.16 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.53 2crm s PRO 84 CO -0.01 -1.80 1.11 0.41 0.04 0.00 0.00 177.00 176.75 2crm n GLY 85 N -1.19 -0.54 3.55 0.56 0.00 0.39 -4.72 105.19 103.24 2crm n GLY 85 Ca 0.09 0.24 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 1.88 -0.29 0.00 0.40 -1.26 -2.27 117.98 112.47 2crm s PHE 87 Ca 0.17 -0.42 -0.16 0.00 -0.60 0.00 0.00 56.93 55.92 2crm s PHE 87 Cb -0.01 -2.58 0.15 0.00 0.51 0.00 0.00 43.02 41.09 2crm s PHE 87 CO 0.04 -1.20 0.99 0.71 0.70 0.00 0.00 175.22 176.46 2crm s TYR 88 N -2.80 -0.54 -0.11 0.36 2.02 -1.21 -3.27 117.35 111.79 2crm s TYR 88 Ca 0.62 1.08 -0.04 0.00 -0.37 0.00 0.00 57.07 58.35 2crm s TYR 88 Cb -0.07 0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 41.78 2crm s TYR 88 CO 0.40 -0.27 0.05 1.03 -1.57 0.00 0.00 175.55 175.18 2crm s ARG 89 N 1.37 3.31 0.06 -0.62 0.52 -1.10 -3.45 118.95 119.03 2crm s ARG 89 Ca -0.09 -0.33 0.04 0.00 -0.52 0.00 0.00 55.73 54.83 2crm s ARG 89 Cb -0.04 -2.97 -0.03 0.00 0.52 0.00 0.00 34.95 32.43 2crm s ARG 89 CO -0.15 0.62 -0.12 -0.51 0.02 0.00 0.00 175.30 175.17 2crm s LEU 90 N -0.64 2.28 -0.08 2.53 1.02 -1.07 -0.47 118.68 122.25 2crm s LEU 90 Ca 0.11 -0.60 -0.04 0.00 0.02 0.00 0.00 54.13 53.62 2crm s LEU 90 Cb -0.12 -0.38 0.04 0.00 0.02 0.00 0.00 46.19 45.76 2crm s LEU 90 CO 0.02 -0.13 0.18 -0.13 0.02 0.00 0.00 176.35 176.31 2crm s ARG 91 N -1.74 0.12 -0.06 1.70 0.52 0.12 -0.82 118.95 118.79 2crm s ARG 91 Ca -0.04 0.46 0.02 0.00 -0.52 0.00 0.00 55.73 55.65 2crm s ARG 91 Cb -0.10 -0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.18 2crm s ARG 91 CO 0.01 -0.19 -0.10 0.08 0.02 0.00 0.00 175.30 175.12 2crm s VAL 92 N 1.44 3.44 0.05 3.52 1.01 -1.26 0.03 120.40 128.63 2crm s VAL 92 Ca -0.07 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 2crm s VAL 92 Cb -0.11 -2.38 0.02 0.00 0.00 0.00 0.00 36.38 33.90 2crm s VAL 92 CO -0.07 0.60 0.28 -0.72 0.00 0.00 0.00 175.10 175.19 2crm s TYR 93 N -0.77 -0.06 0.10 5.22 1.13 -1.16 -2.13 117.35 119.69 2crm s TYR 93 Ca 0.12 -0.14 0.02 0.00 -1.41 0.00 0.00 57.07 55.66 2crm s TYR 93 Cb -0.11 0.07 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 2crm s TYR 93 CO 0.01 -0.51 0.21 0.00 -2.51 0.00 0.00 175.55 172.75 2crm s ILE 95 N -1.59 2.71 0.37 0.00 1.01 -1.00 -0.59 121.20 122.11 2crm s ILE 95 Ca 0.34 -2.40 0.08 0.00 0.00 0.00 0.00 60.65 58.67 2crm s ILE 95 Cb -0.12 -2.92 -0.07 0.00 0.01 0.00 0.00 42.46 39.36 2crm s ILE 95 CO 0.27 -0.67 -0.05 -0.94 0.00 0.00 0.00 174.94 173.56 2crm s SER 96 N 1.05 3.75 -1.65 3.58 1.04 0.27 -2.91 113.70 118.83 2crm s SER 96 Ca 0.11 -1.28 -0.13 0.00 0.48 0.00 0.00 55.95 55.13 2crm s SER 96 Cb -0.21 -0.36 0.12 0.00 0.10 0.00 0.00 66.02 65.67 2crm s SER 96 CO -0.06 -0.32 0.61 -0.67 0.98 0.00 0.00 173.24 173.78 2crm n ASP 97 N -0.86 -2.10 -3.77 7.02 -0.08 -1.26 -0.37 116.55 115.13 2crm n ASP 97 Ca -0.05 -1.06 -0.25 0.00 -1.51 0.00 0.00 54.79 51.92 2crm n ASP 97 Cb 0.65 -2.59 0.03 0.00 2.34 0.00 0.00 41.12 41.55 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 -1.60 -0.37 3.60 0.27 0.00 -1.26 -4.96 105.19 100.86 2crm n GLY 98 Ca -0.04 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 2crm n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2crm s GLY 99 N -3.96 -0.37 0.20 -0.02 0.00 0.50 -5.17 107.32 98.50 2crm s GLY 99 Ca 0.26 0.78 -0.07 0.00 0.00 0.00 0.00 44.72 45.69 2crm s GLY 99 CO 0.82 0.24 0.47 1.20 0.00 0.00 0.00 173.10 175.83 2crm s GLN 100 N -3.05 3.71 0.32 2.90 1.11 -1.26 -0.57 119.66 122.82 2crm s GLN 100 Ca 0.08 0.10 0.07 0.00 0.01 0.00 0.00 55.36 55.63 2crm s GLN 100 Cb -0.01 -2.73 -0.03 0.00 -1.01 0.00 0.00 33.01 29.23 2crm s GLN 100 CO -0.05 0.38 0.28 -1.54 0.01 0.00 0.00 175.29 174.37 2crm s SER 101 N -2.44 5.38 0.11 5.90 1.04 0.24 -4.91 113.70 119.02 2crm s SER 101 Ca 0.44 -0.42 -0.36 0.00 0.48 0.00 0.00 55.95 56.09 2crm s SER 101 Cb -0.12 -1.09 -0.16 0.00 0.10 0.00 0.00 66.02 64.76 2crm s SER 101 CO 0.23 -0.28 1.33 0.00 0.98 0.00 0.00 173.24 175.49 2crm n ALA 102 N -1.34 -0.73 -2.50 5.32 0.00 -1.26 -4.57 120.51 115.42 2crm n ALA 102 Ca -0.03 0.50 -0.43 0.00 0.00 0.00 0.00 53.44 53.48 2crm n ALA 102 Cb 0.59 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.93 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 0.38 4.37 1.02 0.00 -7.23 -1.26 -4.65 120.40 113.03 2crm s VAL 103 Ca 0.82 1.67 -0.12 0.00 -1.81 0.00 0.00 61.98 62.54 2crm s VAL 103 Cb -0.91 -4.08 0.18 0.00 0.56 0.00 0.00 36.38 32.13 2crm s VAL 103 CO 0.47 -0.04 0.94 -1.54 -0.31 0.00 0.00 175.10 174.62 2crm n SER 104 N 5.54 -0.80 -3.83 4.85 3.41 -0.90 -4.88 113.62 117.01 2crm n SER 104 Ca 0.11 0.18 -0.35 0.00 -0.26 0.00 0.00 58.87 58.56 2crm n SER 104 Cb 0.46 -1.34 0.03 0.00 -0.26 0.00 0.00 64.21 63.10 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 -4.05 0.00 -3.02 4.33 1.02 -1.26 -4.50 120.64 113.15 2crm n GLU 105 Ca 0.08 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.82 2crm n GLU 105 Cb 0.53 -0.93 -0.05 0.00 -0.02 0.00 0.00 31.44 30.97 2crm n GLU 105 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2crm s SER 106 N -0.93 7.05 -0.06 1.62 0.01 -1.26 -4.68 113.70 115.45 2crm s SER 106 Ca 0.44 1.26 -0.28 0.00 1.31 0.00 0.00 55.95 58.68 2crm s SER 106 Cb -0.29 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.49 2crm s SER 106 CO 0.71 -0.09 0.89 -0.22 0.41 0.00 0.00 173.24 174.94 2crm s LEU 107 N 0.62 4.31 -0.28 2.44 2.96 0.00 -4.84 118.68 123.89 2crm s LEU 107 Ca 0.38 1.45 -0.06 0.00 -0.22 0.00 0.00 54.13 55.68 2crm s LEU 107 Cb -0.18 -3.39 0.01 0.00 0.50 0.00 0.00 46.19 43.12 2crm s LEU 107 CO 0.19 -0.27 0.05 -0.22 -1.32 0.00 0.00 176.35 174.79 2crm s LEU 108 N 1.25 3.68 -0.03 -0.68 1.98 -1.26 -2.61 118.68 121.00 2crm s LEU 108 Ca 0.46 -0.70 0.01 0.00 -2.89 0.00 0.00 54.13 51.01 2crm s LEU 108 Cb -0.19 -1.84 0.02 0.00 0.66 0.00 0.00 46.19 44.83 2crm s LEU 108 CO 0.22 -0.17 -0.05 -0.69 -1.89 0.00 0.00 176.35 173.77 2crm s VAL 109 N 1.47 0.53 -0.16 1.68 1.01 -1.22 -5.04 120.40 118.67 2crm s VAL 109 Ca 0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 2crm s VAL 109 Cb -0.17 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2crm s VAL 109 CO 0.01 0.21 0.03 -1.10 0.00 0.00 0.00 175.10 174.24 2crm s GLN 110 N 0.68 3.74 0.10 2.72 1.11 -1.26 -3.35 119.66 123.40 2crm s GLN 110 Ca -0.09 -0.40 -0.15 0.00 0.01 0.00 0.00 55.36 54.73 2crm s GLN 110 Cb -0.12 -3.07 -0.07 0.00 -1.01 0.00 0.00 33.01 28.75 2crm s GLN 110 CO 0.00 0.33 0.52 0.95 0.01 0.00 0.00 175.29 177.11 2crm s THR 111 N 0.16 4.87 -0.10 -0.19 -4.23 -0.96 -4.98 115.64 110.21 2crm s THR 111 Ca 0.02 0.88 -0.29 0.00 -1.18 0.00 0.00 61.69 61.12 2crm s THR 111 Cb -0.13 -3.76 -0.04 0.00 1.34 0.00 0.00 72.50 69.91 2crm s THR 111 CO 0.01 0.36 1.53 -2.16 -0.54 0.00 0.00 174.62 173.83 2crm s PRO 112 N -1.65 4.17 -0.15 3.99 0.04 -1.26 -0.46 135.00 139.67 2crm s PRO 112 Ca 0.34 1.99 -0.29 0.00 0.04 0.00 0.00 61.00 63.07 2crm s PRO 112 Cb -0.16 -3.92 -0.02 0.00 0.04 0.00 0.00 34.50 30.44 2crm s PRO 112 CO 0.18 -0.84 1.34 0.00 0.04 0.00 0.00 177.00 177.73 2crm s ALA 113 N 3.96 3.64 -0.10 8.56 0.00 -1.26 -3.72 121.76 132.83 2crm s ALA 113 Ca 0.67 0.53 -0.13 0.00 0.00 0.00 0.00 51.96 53.03 2crm s ALA 113 Cb -0.29 -3.65 -0.27 0.00 0.00 0.00 0.00 23.12 18.90 2crm s ALA 113 CO 0.25 -1.25 0.51 -0.39 0.00 0.00 0.00 175.76 174.88 2crm h VAL 114 N 5.54 0.91 -1.88 0.00 -1.51 -1.93 -3.46 116.25 113.92 2crm h VAL 114 Ca -0.29 -2.39 -0.57 0.00 -1.23 0.00 0.00 66.70 62.21 2crm h VAL 114 Cb 1.12 2.64 -0.10 0.00 -2.13 0.00 0.00 31.29 32.82 2crm h VAL 114 CO 0.97 0.75 -0.59 -0.44 -1.23 0.00 0.00 177.57 177.04 2crm s SER 115 N -7.08 4.31 0.00 4.19 0.01 -1.26 -5.15 113.70 108.71 2crm s SER 115 Ca -0.20 -0.96 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2crm s SER 115 Cb 0.05 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.71 2crm s SER 115 CO 0.77 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.75 2crm n GLY 116 N -1.03 5.04 0.00 3.44 0.00 -1.26 -5.00 105.19 106.39 2crm n GLY 116 Ca -0.04 -2.10 0.06 0.00 0.00 0.00 0.00 46.02 43.95 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 0.49 -0.34 1.61 -0.04 -1.26 -4.08 135.00 131.37 2crm n PRO 117 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2crm n PRO 117 Cb 0.00 -1.40 -0.06 0.00 -0.04 0.00 0.00 33.50 32.00 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 -0.90 -0.81 -4.61 3.54 2.88 -1.26 -3.79 113.62 108.67 2crm n SER 118 Ca 0.09 1.47 -0.43 0.00 -1.33 0.00 0.00 58.87 58.67 2crm n SER 118 Cb 0.04 -0.22 -0.02 0.00 -0.75 0.00 0.00 64.21 63.26 2crm n SER 118 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2crm s SER 119 N -5.39 6.57 0.00 -3.46 1.04 -1.26 -5.32 113.70 105.89 2crm s SER 119 Ca -0.10 0.72 0.16 0.00 0.48 0.00 0.00 55.95 57.20 2crm s SER 119 Cb 0.11 -2.55 0.13 0.00 0.10 0.00 0.00 66.02 63.81 2crm s SER 119 CO 0.53 -1.26 1.01 0.61 0.98 0.00 0.00 173.24 175.12