#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 3.55 0.78 1.61 0.01 -1.26 -5.02 113.70 113.36 2crm s SER 2 Ca 0.00 2.29 -0.06 0.00 1.31 0.00 0.00 55.95 59.48 2crm s SER 2 Cb 0.00 -2.58 0.13 0.00 0.21 0.00 0.00 66.02 63.78 2crm s SER 2 CO 0.00 -2.69 1.08 -0.44 0.41 0.00 0.00 173.24 171.60 2crm s SER 3 N -2.35 4.14 0.00 2.44 0.01 -1.26 -5.10 113.70 111.58 2crm s SER 3 Ca 0.71 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.97 2crm s SER 3 Cb -0.26 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.60 2crm s SER 3 CO 0.52 -2.02 0.00 0.61 0.41 0.00 0.00 173.24 172.76 2crm n GLY 4 N -3.09 -0.90 3.91 3.44 0.00 -1.26 -5.02 105.19 102.26 2crm n GLY 4 Ca 0.13 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.40 6.41 0.11 1.61 0.01 -1.26 -5.09 113.70 114.08 2crm s SER 5 Ca 0.00 0.39 -0.26 0.00 1.31 0.00 0.00 55.95 57.39 2crm s SER 5 Cb 0.00 -2.01 0.08 0.00 0.21 0.00 0.00 66.02 64.30 2crm s SER 5 CO 0.00 0.18 1.06 -0.55 0.41 0.00 0.00 173.24 174.34 2crm s SER 6 N -2.26 -0.11 0.00 2.44 0.15 -1.26 -5.09 113.70 107.56 2crm s SER 6 Ca 0.33 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2crm s SER 6 Cb -0.13 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2crm s SER 6 CO 0.24 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.53 2crm n GLY 7 N -0.53 -0.30 3.46 9.45 0.00 -1.26 -5.13 105.19 110.88 2crm n GLY 7 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.69 2.80 0.45 1.61 1.01 -1.26 -5.14 120.40 118.18 2crm s VAL 8 Ca 0.00 -1.20 0.03 0.00 0.00 0.00 0.00 61.98 60.81 2crm s VAL 8 Cb 0.00 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 2crm s VAL 8 CO 0.00 0.33 0.04 0.68 0.00 0.00 0.00 175.10 176.14 2crm s VAL 9 N -0.94 1.22 -0.30 2.92 -7.23 -1.26 -5.15 120.40 109.66 2crm s VAL 9 Ca 0.15 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.22 2crm s VAL 9 Cb -0.10 -2.44 0.15 0.00 0.56 0.00 0.00 36.38 34.54 2crm s VAL 9 CO 0.05 0.00 0.73 -0.70 -0.31 0.00 0.00 175.10 174.87 2crm s GLU 10 N -3.81 0.50 -0.59 4.82 2.56 -1.26 -5.11 118.70 115.81 2crm s GLU 10 Ca 0.19 1.17 -0.07 0.00 0.00 0.00 0.00 54.97 56.26 2crm s GLU 10 Cb 0.04 0.69 0.15 0.00 2.00 0.00 0.00 34.13 37.02 2crm s GLU 10 CO 0.10 -0.27 0.44 -0.06 -0.56 0.00 0.00 175.26 174.92 2crm s PHE 11 N 2.81 3.50 -0.43 5.30 0.08 -1.26 -5.03 117.98 122.95 2crm s PHE 11 Ca 0.00 -2.25 -0.02 0.00 0.12 0.00 0.00 56.93 54.79 2crm s PHE 11 Cb -0.11 -3.43 0.11 0.00 -0.57 0.00 0.00 43.02 39.02 2crm s PHE 11 CO -0.19 -0.94 0.21 0.99 -0.10 0.00 0.00 175.22 175.20 2crm s THR 12 N 0.61 3.18 0.64 0.64 2.01 -1.26 -5.09 115.64 116.37 2crm s THR 12 Ca 0.12 -2.23 -0.17 0.00 0.31 0.00 0.00 61.69 59.72 2crm s THR 12 Cb -0.21 -3.19 -0.06 0.00 0.01 0.00 0.00 72.50 69.05 2crm s THR 12 CO -0.03 -0.70 0.58 0.35 -0.69 0.00 0.00 174.62 174.13 2crm n THR 13 N 4.39 2.27 -0.28 -0.82 -2.24 -1.26 -4.87 114.28 111.47 2crm n THR 13 Ca -0.00 -0.46 -0.12 0.00 -2.27 0.00 0.00 64.05 61.20 2crm n THR 13 Cb 0.41 -0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 67.77 2crm n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2crm n PRO 15 N -5.31 -3.05 -2.44 0.00 -0.04 -1.26 -5.05 135.00 117.84 2crm n PRO 15 Ca -0.01 -1.67 -0.25 0.00 -0.04 0.00 0.00 63.50 61.53 2crm n PRO 15 Cb 0.30 -1.56 0.04 0.00 -0.04 0.00 0.00 33.50 32.24 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 -4.31 5.41 0.02 3.54 1.11 -1.26 -4.89 116.67 116.28 2crm s ASP 16 Ca 0.68 0.54 -0.03 0.00 0.18 0.00 0.00 52.55 53.92 2crm s ASP 16 Cb -0.07 -1.47 -0.04 0.00 1.07 0.00 0.00 42.92 42.42 2crm s ASP 16 CO 0.52 -1.16 0.21 -0.54 1.18 0.00 0.00 175.17 175.38 2crm s LYS 17 N -4.98 3.47 1.25 8.23 1.02 -1.16 -1.21 119.74 126.35 2crm s LYS 17 Ca 0.55 -0.31 -0.21 0.00 0.02 0.00 0.00 55.97 56.02 2crm s LYS 17 Cb -0.10 -3.07 0.31 0.00 -0.52 0.00 0.00 37.83 34.45 2crm s LYS 17 CO 0.44 0.64 1.11 -1.25 -0.92 0.00 0.00 175.35 175.37 2crm s PRO 18 N -2.11 -1.58 -0.21 -1.68 0.04 -1.20 -4.01 135.00 124.24 2crm s PRO 18 Ca 0.30 -0.20 -0.07 0.00 0.04 0.00 0.00 61.00 61.07 2crm s PRO 18 Cb -0.13 -1.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.81 2crm s PRO 18 CO 0.21 -3.92 0.06 0.20 0.04 0.00 0.00 177.00 173.59 2crm s GLY 19 N -4.00 1.82 0.09 0.56 0.00 -1.26 -4.84 107.32 99.69 2crm s GLY 19 Ca 0.72 -0.95 -0.24 0.00 0.00 0.00 0.00 44.72 44.25 2crm s GLY 19 CO 0.56 0.29 0.54 1.39 0.00 0.00 0.00 173.10 175.87 2crm n ILE 20 N 4.24 0.91 -2.24 0.90 -0.00 -1.26 -4.10 119.36 117.82 2crm n ILE 20 Ca -0.16 -0.23 -0.41 0.00 -0.00 0.00 0.00 62.75 61.95 2crm n ILE 20 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.13 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 -0.46 4.42 0.23 0.38 0.04 -1.26 -4.49 135.00 133.86 2crm s PRO 21 Ca 0.55 2.05 -0.32 0.00 0.04 0.00 0.00 61.00 63.32 2crm s PRO 21 Cb -0.78 -3.17 -0.13 0.00 0.04 0.00 0.00 34.50 30.46 2crm s PRO 21 CO 0.41 -0.18 1.51 0.28 0.04 0.00 0.00 177.00 179.07 2crm n VAL 22 N 2.11 0.70 -1.41 -0.36 0.31 -1.24 -4.66 118.33 113.79 2crm n VAL 22 Ca 0.04 -0.18 -0.52 0.00 -0.01 0.00 0.00 64.34 63.68 2crm n VAL 22 Cb 0.43 -1.64 -0.05 0.00 -0.91 0.00 0.00 33.84 31.67 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 2.48 0.00 -2.23 5.55 0.00 -1.26 -3.90 118.16 118.80 2crm n LYS 23 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 58.31 58.02 2crm n LYS 23 Cb 0.32 -1.21 -0.03 0.00 0.00 0.00 0.00 35.03 34.12 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 -0.49 4.41 0.45 1.64 0.04 -1.26 -4.62 135.00 135.16 2crm s PRO 24 Ca 0.75 2.05 0.06 0.00 0.04 0.00 0.00 61.00 63.90 2crm s PRO 24 Cb -1.06 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 30.27 2crm s PRO 24 CO 0.55 -0.20 0.22 -1.12 0.04 0.00 0.00 177.00 176.49 2crm s SER 25 N 0.14 4.48 -0.30 6.66 0.01 -0.03 -4.84 113.70 119.83 2crm s SER 25 Ca 0.55 -1.15 -0.16 0.00 1.31 0.00 0.00 55.95 56.50 2crm s SER 25 Cb -0.36 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.64 2crm s SER 25 CO 0.40 -0.70 0.40 -0.69 0.41 0.00 0.00 173.24 173.06 2crm s VAL 26 N -2.66 5.15 -0.46 3.43 1.01 -1.26 -0.76 120.40 124.84 2crm s VAL 26 Ca 0.36 0.43 -0.15 0.00 0.00 0.00 0.00 61.98 62.62 2crm s VAL 26 Cb 0.02 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 32.69 2crm s VAL 26 CO 0.21 0.04 0.38 -0.75 0.00 0.00 0.00 175.10 174.98 2crm s LYS 27 N 2.12 2.98 0.00 2.72 2.20 -1.12 -4.94 119.74 123.69 2crm s LYS 27 Ca 0.15 -1.31 0.00 0.00 -0.36 0.00 0.00 55.97 54.45 2crm s LYS 27 Cb -0.16 -4.11 0.00 0.00 -1.51 0.00 0.00 37.83 32.05 2crm s LYS 27 CO 0.11 -0.99 0.00 0.41 -0.36 0.00 0.00 175.35 174.52 2crm n GLY 28 N 5.20 0.53 3.83 5.54 0.00 -1.26 -4.64 105.19 114.38 2crm n GLY 28 Ca -0.12 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 2crm n GLY 28 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2crm s LYS 29 N 0.00 3.13 -0.40 1.61 2.20 -1.26 -5.08 119.74 119.93 2crm s LYS 29 Ca 0.00 -0.54 -0.17 0.00 -0.36 0.00 0.00 55.97 54.89 2crm s LYS 29 Cb 0.00 -2.88 0.01 0.00 -1.51 0.00 0.00 37.83 33.46 2crm s LYS 29 CO 0.00 0.60 0.44 0.42 -0.36 0.00 0.00 175.35 176.45 2crm s ILE 30 N -1.38 5.09 1.16 5.43 1.01 -1.26 -4.65 121.20 126.59 2crm s ILE 30 Ca 0.29 -0.22 -0.19 0.00 0.00 0.00 0.00 60.65 60.53 2crm s ILE 30 Cb -0.12 -4.00 0.29 0.00 0.01 0.00 0.00 42.46 38.63 2crm s ILE 30 CO 0.22 -0.36 0.96 1.57 0.00 0.00 0.00 174.94 177.33 2crm n HIS 31 N 5.60 -3.79 0.46 3.97 -0.00 -0.35 -4.81 115.22 116.29 2crm n HIS 31 Ca -0.07 -0.88 -0.18 0.00 0.46 0.00 0.00 57.72 57.05 2crm n HIS 31 Cb 0.48 -1.06 -0.08 0.00 -0.12 0.00 0.00 29.99 29.21 2crm n HIS 31 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2crm h SER 32 N -2.73 -0.98 -1.10 0.26 4.64 -1.98 -3.36 113.55 108.31 2crm h SER 32 Ca -0.37 0.03 -0.48 0.00 -0.47 0.00 0.00 61.79 60.50 2crm h SER 32 Cb 1.16 0.25 -0.41 0.00 -0.31 0.00 0.00 62.40 63.09 2crm h SER 32 CO 0.24 -0.70 -0.92 0.00 -0.87 0.00 0.00 176.83 174.58 2crm n HIS 33 N -5.13 2.41 -3.65 4.77 1.44 -1.26 -3.99 115.22 109.81 2crm n HIS 33 Ca -0.14 -2.74 0.00 0.00 -2.01 0.00 0.00 57.72 52.83 2crm n HIS 33 Cb 0.46 -0.23 -0.06 0.00 0.12 0.00 0.00 29.99 30.27 2crm n HIS 33 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 2crm s SER 34 N -3.47 -0.23 0.14 4.39 1.04 -1.26 -2.72 113.70 111.59 2crm s SER 34 Ca 0.40 0.37 -0.15 0.00 0.48 0.00 0.00 55.95 57.05 2crm s SER 34 Cb 0.41 1.05 0.03 0.00 0.10 0.00 0.00 66.02 67.60 2crm s SER 34 CO -0.07 -0.06 0.40 0.72 0.98 0.00 0.00 173.24 175.22 2crm s PHE 35 N 1.08 -0.13 -0.10 5.02 -0.12 -1.06 -1.22 117.98 121.46 2crm s PHE 35 Ca -0.07 -0.20 -0.06 0.00 -0.05 0.00 0.00 56.93 56.55 2crm s PHE 35 Cb -0.03 0.24 -0.04 0.00 -0.63 0.00 0.00 43.02 42.56 2crm s PHE 35 CO -0.12 -0.73 0.14 0.15 -0.05 0.00 0.00 175.22 174.61 2crm s LYS 36 N -3.83 3.40 -0.01 1.99 1.02 -1.26 -0.04 119.74 121.01 2crm s LYS 36 Ca 0.05 -0.19 0.05 0.00 0.02 0.00 0.00 55.97 55.90 2crm s LYS 36 Cb 0.02 -3.14 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 2crm s LYS 36 CO -0.10 0.75 -0.15 0.96 -0.92 0.00 0.00 175.35 175.89 2crm s ILE 37 N -1.07 1.22 -0.10 2.17 -4.36 -0.32 -2.81 121.20 115.92 2crm s ILE 37 Ca 0.17 -0.65 0.02 0.00 -0.26 0.00 0.00 60.65 59.93 2crm s ILE 37 Cb -0.12 -1.02 0.01 0.00 1.25 0.00 0.00 42.46 42.58 2crm s ILE 37 CO 0.07 0.35 -0.16 0.42 0.24 0.00 0.00 174.94 175.86 2crm s THR 38 N -0.31 1.51 -0.56 8.37 -4.23 0.06 -2.27 115.64 118.21 2crm s THR 38 Ca 0.05 -0.66 -0.07 0.00 -1.18 0.00 0.00 61.69 59.83 2crm s THR 38 Cb -0.07 -1.37 0.14 0.00 1.34 0.00 0.00 72.50 72.55 2crm s THR 38 CO -0.00 0.44 0.42 -1.66 -0.54 0.00 0.00 174.62 173.27 2crm s TRP 39 N 0.86 3.49 0.99 3.99 -2.14 -0.95 -0.85 118.94 124.34 2crm s TRP 39 Ca -0.09 -2.21 -0.17 0.00 2.66 0.00 0.00 56.10 56.29 2crm s TRP 39 Cb -0.15 -3.42 -0.11 0.00 -3.10 0.00 0.00 33.47 26.68 2crm s TRP 39 CO 0.00 -0.95 -0.65 -0.25 -2.66 0.00 0.00 176.95 172.45 2crm n ASP 40 N 4.32 -4.91 -4.68 -2.66 9.92 -1.25 -4.83 116.55 112.46 2crm n ASP 40 Ca 0.01 0.18 -0.29 0.00 -0.53 0.00 0.00 54.79 54.16 2crm n ASP 40 Cb 0.41 -0.82 0.18 0.00 -0.64 0.00 0.00 41.12 40.25 2crm n ASP 40 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2crm s PRO 41 N -2.34 0.43 1.00 -0.24 0.04 -1.26 -3.64 135.00 128.99 2crm s PRO 41 Ca 0.43 0.53 -0.12 0.00 0.04 0.00 0.00 61.00 61.88 2crm s PRO 41 Cb -0.15 -1.74 0.19 0.00 0.04 0.00 0.00 34.50 32.84 2crm s PRO 41 CO 0.78 -2.74 1.09 -1.25 0.04 0.00 0.00 177.00 174.93 2crm s PRO 42 N -4.96 0.41 -1.13 0.56 0.04 -1.26 -4.12 135.00 124.53 2crm s PRO 42 Ca 0.65 0.52 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 2crm s PRO 42 Cb -0.19 -1.73 0.13 0.00 0.04 0.00 0.00 34.50 32.75 2crm s PRO 42 CO 0.58 -2.75 1.41 0.15 0.04 0.00 0.00 177.00 176.43 2crm s LYS 43 N -4.96 3.90 -1.29 4.56 1.02 -1.26 -4.45 119.74 117.27 2crm s LYS 43 Ca 0.65 -2.14 -0.03 0.00 0.02 0.00 0.00 55.97 54.47 2crm s LYS 43 Cb -0.19 -5.13 -0.01 0.00 -0.52 0.00 0.00 37.83 31.99 2crm s LYS 43 CO 0.58 -1.89 0.67 -3.47 -0.92 0.00 0.00 175.35 170.32 2crm n ASP 44 N 6.63 -1.88 -4.26 2.83 2.03 -1.26 -4.73 116.55 115.92 2crm n ASP 44 Ca 0.35 -0.88 -0.41 0.00 0.52 0.00 0.00 54.79 54.37 2crm n ASP 44 Cb 0.46 -3.84 -0.00 0.00 -0.72 0.00 0.00 41.12 37.01 2crm n ASP 44 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2crm n ASN 45 N -3.00 -2.85 -4.08 1.67 6.94 -1.26 -4.88 115.26 107.80 2crm n ASN 45 Ca -0.26 0.80 -0.11 0.00 -0.02 0.00 0.00 54.58 54.99 2crm n ASN 45 Cb 0.66 -0.87 -0.11 0.00 -2.36 0.00 0.00 39.78 37.10 2crm n ASN 45 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2crm s GLY 46 N -0.99 0.52 0.00 4.83 0.00 -1.26 -4.94 107.32 105.49 2crm s GLY 46 Ca 0.59 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 44.36 2crm s GLY 46 CO 0.62 -1.03 0.00 0.61 0.00 0.00 0.00 173.10 173.30 2crm n GLY 47 N 0.90 2.14 3.17 0.20 0.00 -1.25 -3.00 105.19 107.34 2crm n GLY 47 Ca -0.19 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.09 2.46 -0.05 4.61 0.00 -0.35 -4.40 121.76 123.93 2crm s ALA 48 Ca 0.00 -1.22 -0.30 0.00 0.00 0.00 0.00 51.96 50.44 2crm s ALA 48 Cb 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 2crm s ALA 48 CO 0.00 -0.39 1.09 0.95 0.00 0.00 0.00 175.76 177.42 2crm s THR 49 N 1.33 4.52 0.71 0.00 -4.23 -1.26 -4.37 115.64 112.33 2crm s THR 49 Ca 0.05 1.81 -0.16 0.00 -1.18 0.00 0.00 61.69 62.21 2crm s THR 49 Cb -0.13 -4.16 -0.00 0.00 1.34 0.00 0.00 72.50 69.54 2crm s THR 49 CO -0.10 0.05 0.93 -0.38 -0.54 0.00 0.00 174.62 174.57 2crm n ILE 50 N 4.36 2.86 0.00 2.99 -0.00 -1.26 -4.62 119.36 123.70 2crm n ILE 50 Ca 0.09 -0.39 0.00 0.00 -0.00 0.00 0.00 62.75 62.45 2crm n ILE 50 Cb 0.48 -1.08 0.00 0.00 -0.00 0.00 0.00 39.64 39.04 2crm n ILE 50 CO 0.00 0.00 0.00 -3.20 -0.00 0.00 0.00 176.55 173.35 2crm n ASN 51 N -1.45 0.17 -4.36 4.38 5.15 -1.08 -4.98 115.26 113.09 2crm n ASN 51 Ca 0.13 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.88 2crm n ASN 51 Cb 0.49 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.63 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 -1.96 1.35 -0.26 1.20 2.20 -1.24 -4.38 119.74 116.65 2crm s LYS 52 Ca 0.00 -1.45 0.01 0.00 -0.36 0.00 0.00 55.97 54.17 2crm s LYS 52 Cb 0.00 -1.49 0.07 0.00 -1.51 0.00 0.00 37.83 34.90 2crm s LYS 52 CO 0.00 0.31 -0.03 0.71 -0.36 0.00 0.00 175.35 175.98 2crm s TYR 53 N -1.95 2.58 0.28 4.03 2.02 0.17 -2.79 117.35 121.69 2crm s TYR 53 Ca 0.17 -1.96 -0.08 0.00 -0.37 0.00 0.00 57.07 54.83 2crm s TYR 53 Cb -0.06 -1.79 -0.06 0.00 -0.40 0.00 0.00 41.96 39.64 2crm s TYR 53 CO 0.08 -0.81 0.59 0.08 -1.57 0.00 0.00 175.55 173.91 2crm s VAL 54 N 1.33 4.93 -0.06 0.71 1.01 -1.16 -2.48 120.40 124.68 2crm s VAL 54 Ca -0.03 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.37 2crm s VAL 54 Cb -0.19 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 2crm s VAL 54 CO -0.08 -0.23 -0.19 -0.69 0.00 0.00 0.00 175.10 173.92 2crm s VAL 55 N -2.00 1.58 -0.02 2.92 1.01 -0.82 -2.79 120.40 120.28 2crm s VAL 55 Ca 0.47 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.70 2crm s VAL 55 Cb -0.11 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2crm s VAL 55 CO 0.25 0.45 -0.07 -1.61 0.00 0.00 0.00 175.10 174.13 2crm s GLU 56 N 0.19 2.62 0.05 2.72 2.02 0.17 -2.67 118.70 123.80 2crm s GLU 56 Ca -0.09 -0.66 0.07 0.00 0.02 0.00 0.00 54.97 54.31 2crm s GLU 56 Cb -0.14 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 2crm s GLU 56 CO 0.04 0.62 -0.19 1.41 0.02 0.00 0.00 175.26 177.16 2crm s MET 57 N -1.22 1.25 0.04 1.61 -2.45 -1.24 -0.05 119.30 117.24 2crm s MET 57 Ca 0.16 -0.91 0.02 0.00 -1.25 0.00 0.00 55.69 53.70 2crm s MET 57 Cb -0.11 -1.35 -0.02 0.00 1.25 0.00 0.00 34.83 34.60 2crm s MET 57 CO 0.06 0.34 -0.07 0.00 1.05 0.00 0.00 175.02 176.40 2crm s ALA 58 N -0.84 0.47 -0.50 4.11 0.00 0.20 -3.05 121.76 122.15 2crm s ALA 58 Ca 0.06 -0.72 -0.28 0.00 0.00 0.00 0.00 51.96 51.02 2crm s ALA 58 Cb -0.09 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2crm s ALA 58 CO 0.02 -0.05 1.55 -1.21 0.00 0.00 0.00 175.76 176.07 2crm s GLU 59 N -1.53 3.26 0.68 0.00 2.02 -1.25 -2.10 118.70 119.78 2crm s GLU 59 Ca -0.11 0.76 0.00 0.00 0.02 0.00 0.00 54.97 55.64 2crm s GLU 59 Cb -0.10 -4.16 0.00 0.00 0.10 0.00 0.00 34.13 29.97 2crm s GLU 59 CO 0.00 -1.97 0.00 0.41 0.02 0.00 0.00 175.26 173.72 2crm n GLY 60 N 5.32 0.52 0.09 -1.39 0.00 -1.14 -4.15 105.19 104.44 2crm n GLY 60 Ca 0.16 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.21 2crm n GLY 60 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2crm h SER 61 N 0.00 0.21 -3.17 1.61 0.02 -1.88 -3.23 113.55 107.11 2crm h SER 61 Ca 0.00 -0.97 -0.58 0.00 -0.84 0.00 0.00 61.79 59.40 2crm h SER 61 Cb 0.00 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.41 2crm h SER 61 CO 0.00 1.19 0.65 0.54 -1.14 0.00 0.00 176.83 178.07 2crm s ASN 62 N -6.57 7.07 0.00 3.07 2.20 -1.26 -4.73 114.94 114.72 2crm s ASN 62 Ca -0.17 1.33 0.00 0.00 -0.94 0.00 0.00 52.86 53.08 2crm s ASN 62 Cb -0.01 -2.52 0.00 0.00 -2.00 0.00 0.00 41.25 36.72 2crm s ASN 62 CO 0.75 -0.57 0.00 0.61 -2.94 0.00 0.00 177.10 174.95 2crm n GLY 63 N 3.36 1.89 3.56 0.45 0.00 -1.26 -4.87 105.19 108.32 2crm n GLY 63 Ca 0.09 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 5.49 -0.20 1.61 2.47 -1.26 -4.38 114.94 118.67 2crm s ASN 64 Ca 0.00 -1.01 -0.04 0.00 0.42 0.00 0.00 52.86 52.23 2crm s ASN 64 Cb 0.00 -2.57 0.09 0.00 -1.45 0.00 0.00 41.25 37.33 2crm s ASN 64 CO 0.00 -2.45 0.23 -0.75 -3.72 0.00 0.00 177.10 170.40 2crm s LYS 65 N 6.41 0.19 -0.02 0.43 2.36 -1.26 -5.10 119.74 122.75 2crm s LYS 65 Ca 0.64 0.25 0.07 0.00 -2.55 0.00 0.00 55.97 54.38 2crm s LYS 65 Cb -0.04 -1.11 -0.02 0.00 -1.05 0.00 0.00 37.83 35.61 2crm s LYS 65 CO -0.01 -0.63 -0.24 -1.58 1.55 0.00 0.00 175.35 174.44 2crm s TRP 66 N 2.34 2.13 -0.13 4.03 0.52 -1.26 -3.89 118.94 122.67 2crm s TRP 66 Ca 0.07 -0.41 -0.11 0.00 0.02 0.00 0.00 56.10 55.67 2crm s TRP 66 Cb -0.15 -1.37 0.04 0.00 -1.15 0.00 0.00 33.47 30.84 2crm s TRP 66 CO -0.12 -0.04 0.35 -2.00 0.02 0.00 0.00 176.95 175.16 2crm s GLU 67 N -0.54 0.38 0.10 4.98 2.12 -1.17 -4.97 118.70 119.60 2crm s GLU 67 Ca 0.09 0.54 -0.36 0.00 0.36 0.00 0.00 54.97 55.60 2crm s GLU 67 Cb -0.09 0.13 -0.16 0.00 0.26 0.00 0.00 34.13 34.26 2crm s GLU 67 CO -0.01 -0.08 1.36 -0.12 -0.54 0.00 0.00 175.26 175.88 2crm n MET 68 N 3.26 1.29 -0.00 4.30 0.00 -1.26 -3.65 117.12 121.05 2crm n MET 68 Ca -0.16 0.46 -0.00 0.00 -0.00 0.00 0.00 57.70 58.00 2crm n MET 68 Cb 0.57 -2.12 -0.00 0.00 0.00 0.00 0.00 33.22 31.67 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 2.57 0.03 -3.83 1.12 -5.35 -1.09 -4.98 119.36 107.83 2crm n ILE 69 Ca 0.18 -0.01 -0.09 0.00 -0.27 0.00 0.00 62.75 62.55 2crm n ILE 69 Cb 0.21 -0.65 -0.07 0.00 -1.74 0.00 0.00 39.64 37.38 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 -2.01 0.09 -0.22 4.28 6.14 -1.25 -5.04 117.35 119.35 2crm s TYR 70 Ca -0.01 -0.46 -0.20 0.00 0.64 0.00 0.00 57.07 57.05 2crm s TYR 70 Cb 0.00 -0.02 0.06 0.00 0.42 0.00 0.00 41.96 42.42 2crm s TYR 70 CO 0.01 -0.53 0.57 0.45 0.64 0.00 0.00 175.55 176.70 2crm s SER 71 N -2.66 -0.60 0.00 4.32 0.15 -1.26 -1.95 113.70 111.69 2crm s SER 71 Ca 0.02 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.83 2crm s SER 71 Cb 0.03 1.17 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 2crm s SER 71 CO -0.09 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2crm n GLY 72 N 2.82 2.19 0.34 9.45 0.00 -1.03 -4.96 105.19 113.99 2crm n GLY 72 Ca -0.14 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 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 -0.81 -0.68 4.61 0.00 -1.84 0.48 119.26 121.02 2crm h ALA 73 Ca 0.00 -0.18 -0.56 0.00 0.00 0.00 0.00 54.91 54.16 2crm h ALA 73 Cb 0.00 0.31 0.02 0.00 0.00 0.00 0.00 17.79 18.13 2crm h ALA 73 CO 0.00 -0.76 0.19 2.41 0.00 0.00 0.00 179.25 181.09 2crm n THR 74 N -5.32 0.00 -0.31 0.00 -1.04 -1.26 -4.49 114.28 101.87 2crm n THR 74 Ca -0.10 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.77 2crm n THR 74 Cb 0.33 -0.12 0.08 0.00 -1.82 0.00 0.00 70.33 68.79 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 1.63 1.67 -3.58 -2.82 1.74 -1.26 -4.75 116.66 109.29 2crm n ARG 75 Ca 0.16 -1.52 -0.12 0.00 -0.77 0.00 0.00 57.85 55.60 2crm n ARG 75 Cb 0.02 -1.60 -0.11 0.00 -1.02 0.00 0.00 32.46 29.75 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 -1.70 0.23 0.04 5.56 2.02 -1.26 -2.25 118.70 121.34 2crm s GLU 76 Ca 0.29 0.71 -0.00 0.00 0.02 0.00 0.00 54.97 55.99 2crm s GLU 76 Cb 0.24 -0.18 -0.03 0.00 0.10 0.00 0.00 34.13 34.26 2crm s GLU 76 CO 0.04 -0.39 -0.04 -1.58 0.02 0.00 0.00 175.26 173.31 2crm s HIS 77 N 2.47 0.48 -0.39 1.61 2.46 -0.96 -5.01 115.29 115.96 2crm s HIS 77 Ca 0.03 -0.82 -0.15 0.00 0.47 0.00 0.00 55.06 54.59 2crm s HIS 77 Cb -0.13 -0.33 0.01 0.00 -0.13 0.00 0.00 32.58 31.99 2crm s HIS 77 CO -0.11 -0.27 0.33 -1.17 -2.47 0.00 0.00 174.74 171.05 2crm s LEU 78 N -2.31 4.83 -0.63 8.88 2.96 -1.26 -1.18 118.68 129.97 2crm s LEU 78 Ca -0.02 -0.65 -0.28 0.00 -0.22 0.00 0.00 54.13 52.97 2crm s LEU 78 Cb -0.00 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.48 2crm s LEU 78 CO -0.05 -0.42 1.30 0.00 -1.32 0.00 0.00 176.35 175.86 2crm n ASP 80 N 9.19 1.03 -3.16 0.00 5.75 -1.26 -2.56 116.55 125.53 2crm n ASP 80 Ca 0.08 -1.75 -0.15 0.00 -0.01 0.00 0.00 54.79 52.96 2crm n ASP 80 Cb 0.49 -0.22 0.08 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.65 -5.11 -3.99 0.11 1.74 -1.25 -4.98 116.66 101.54 2crm n ARG 81 Ca 0.08 0.77 -0.25 0.00 -0.77 0.00 0.00 57.85 57.68 2crm n ARG 81 Cb 0.30 -5.50 -0.05 0.00 -1.02 0.00 0.00 32.46 26.19 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 -5.75 3.03 -0.07 0.55 1.43 -1.10 -5.06 118.68 111.70 2crm s LEU 82 Ca 0.09 -1.08 0.02 0.00 -1.03 0.00 0.00 54.13 52.13 2crm s LEU 82 Cb -0.01 -1.47 0.01 0.00 0.03 0.00 0.00 46.19 44.75 2crm s LEU 82 CO 0.66 -0.72 -0.12 0.21 0.23 0.00 0.00 176.35 176.61 2crm s ASN 83 N -4.04 1.85 0.42 2.29 3.84 -1.26 -4.68 114.94 113.37 2crm s ASN 83 Ca 0.39 -0.31 -0.24 0.00 0.21 0.00 0.00 52.86 52.91 2crm s ASN 83 Cb 0.01 -0.84 -0.08 0.00 -0.55 0.00 0.00 41.25 39.78 2crm s ASN 83 CO 0.22 0.02 1.18 -2.16 -2.79 0.00 0.00 177.10 173.57 2crm s PRO 84 N 0.77 3.93 -0.81 0.43 0.04 -1.26 -3.55 135.00 134.55 2crm s PRO 84 Ca -0.12 1.84 -0.03 0.00 0.04 0.00 0.00 61.00 62.72 2crm s PRO 84 Cb -0.15 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2crm s PRO 84 CO 0.02 -0.43 0.45 0.41 0.04 0.00 0.00 177.00 177.50 2crm n GLY 85 N 0.56 0.06 3.42 0.56 0.00 -1.04 -4.73 105.19 104.02 2crm n GLY 85 Ca 0.05 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 2.32 -0.29 0.00 0.08 -1.26 -3.48 117.98 111.39 2crm s PHE 87 Ca 0.17 -0.11 -0.17 0.00 0.12 0.00 0.00 56.93 56.94 2crm s PHE 87 Cb 0.02 -2.86 0.14 0.00 -0.57 0.00 0.00 43.02 39.75 2crm s PHE 87 CO 0.01 -1.24 0.97 0.71 -0.10 0.00 0.00 175.22 175.58 2crm s TYR 88 N -2.94 -0.58 -0.26 0.36 2.02 -1.25 -2.88 117.35 111.82 2crm s TYR 88 Ca 0.61 1.17 -0.04 0.00 -0.37 0.00 0.00 57.07 58.44 2crm s TYR 88 Cb -0.08 0.35 0.01 0.00 -0.40 0.00 0.00 41.96 41.85 2crm s TYR 88 CO 0.41 -0.29 -0.01 1.03 -1.57 0.00 0.00 175.55 175.13 2crm s ARG 89 N 1.26 3.03 0.25 -0.62 0.52 -0.89 -3.22 118.95 119.28 2crm s ARG 89 Ca -0.08 -0.87 0.09 0.00 -0.52 0.00 0.00 55.73 54.36 2crm s ARG 89 Cb -0.04 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 2crm s ARG 89 CO -0.14 -0.38 -0.03 -0.51 0.02 0.00 0.00 175.30 174.26 2crm s LEU 90 N 1.42 3.14 0.16 2.53 1.02 -1.15 0.60 118.68 126.39 2crm s LEU 90 Ca 0.02 -0.65 -0.07 0.00 0.02 0.00 0.00 54.13 53.45 2crm s LEU 90 Cb -0.16 -1.69 -0.01 0.00 0.02 0.00 0.00 46.19 44.35 2crm s LEU 90 CO -0.02 0.02 0.23 -0.13 0.02 0.00 0.00 176.35 176.48 2crm s ARG 91 N -3.52 1.10 -0.17 1.70 0.52 0.92 0.11 118.95 119.61 2crm s ARG 91 Ca 0.30 -1.22 -0.09 0.00 -0.52 0.00 0.00 55.73 54.19 2crm s ARG 91 Cb -0.07 0.35 0.06 0.00 0.52 0.00 0.00 34.95 35.81 2crm s ARG 91 CO 0.19 -0.39 0.40 0.08 0.02 0.00 0.00 175.30 175.61 2crm s VAL 92 N -3.98 -0.02 0.21 3.52 1.01 -1.26 -0.66 120.40 119.21 2crm s VAL 92 Ca 0.18 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.28 2crm s VAL 92 Cb 0.04 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 2crm s VAL 92 CO 0.00 0.04 -0.01 -0.72 0.00 0.00 0.00 175.10 174.41 2crm s TYR 93 N 1.31 1.43 0.31 5.22 1.13 -1.12 -2.16 117.35 123.46 2crm s TYR 93 Ca -0.09 -0.94 0.07 0.00 -1.41 0.00 0.00 57.07 54.70 2crm s TYR 93 Cb -0.08 -0.81 -0.02 0.00 -1.10 0.00 0.00 41.96 39.94 2crm s TYR 93 CO -0.12 -0.08 0.35 0.00 -2.51 0.00 0.00 175.55 173.19 2crm s ILE 95 N -2.19 0.05 -0.11 0.00 1.01 -1.12 -3.34 121.20 115.51 2crm s ILE 95 Ca 0.40 -0.38 0.02 0.00 0.00 0.00 0.00 60.65 60.69 2crm s ILE 95 Cb -0.08 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.64 2crm s ILE 95 CO 0.28 -0.37 -0.18 -0.94 0.00 0.00 0.00 174.94 173.74 2crm s SER 96 N 2.07 2.59 -1.29 3.58 1.04 0.71 -2.63 113.70 119.77 2crm s SER 96 Ca 0.03 -0.47 -0.07 0.00 0.48 0.00 0.00 55.95 55.92 2crm s SER 96 Cb -0.16 -1.18 0.01 0.00 0.10 0.00 0.00 66.02 64.79 2crm s SER 96 CO -0.15 0.06 0.98 0.47 0.98 0.00 0.00 173.24 175.58 2crm n ASP 97 N 3.99 -5.99 0.00 7.02 8.00 -1.26 -2.29 116.55 126.02 2crm n ASP 97 Ca -0.20 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 54.86 2crm n ASP 97 Cb 0.52 -4.65 0.00 0.00 -0.02 0.00 0.00 41.12 36.97 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 -1.80 1.48 3.88 0.44 0.00 -1.26 -4.96 105.19 102.96 2crm n GLY 98 Ca -0.02 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.08 1.62 0.23 -0.02 0.00 -0.97 -5.02 107.32 103.09 2crm s GLY 99 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 44.72 44.56 2crm s GLY 99 CO 0.00 0.02 -0.05 -0.86 0.00 0.00 0.00 173.10 172.21 2crm s GLN 100 N -4.99 1.37 0.37 2.90 0.00 -1.26 -0.21 119.66 117.84 2crm s GLN 100 Ca 0.53 -1.67 0.07 0.00 -0.00 0.00 0.00 55.36 54.29 2crm s GLN 100 Cb -0.11 -0.86 -0.02 0.00 0.00 0.00 0.00 33.01 32.02 2crm s GLN 100 CO 0.50 0.01 0.38 -1.54 0.00 0.00 0.00 175.29 174.64 2crm s SER 101 N -3.33 5.35 0.03 12.60 1.04 -1.21 -5.00 113.70 123.17 2crm s SER 101 Ca 0.26 -0.53 -0.38 0.00 0.48 0.00 0.00 55.95 55.78 2crm s SER 101 Cb 0.04 -0.82 -0.18 0.00 0.10 0.00 0.00 66.02 65.16 2crm s SER 101 CO 0.08 -0.52 1.30 0.00 0.98 0.00 0.00 173.24 175.08 2crm n ALA 102 N -1.53 -1.68 -0.77 5.32 0.00 -1.26 -4.64 120.51 115.95 2crm n ALA 102 Ca 0.02 0.53 -0.32 0.00 0.00 0.00 0.00 53.44 53.67 2crm n ALA 102 Cb 0.60 -1.99 0.14 0.00 0.00 0.00 0.00 19.45 18.20 2crm n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2crm n VAL 103 N 2.40 0.11 -3.00 0.00 0.24 -1.26 -4.73 118.33 112.09 2crm n VAL 103 Ca 0.20 -0.12 -0.31 0.00 -2.04 0.00 0.00 64.34 62.06 2crm n VAL 103 Cb 0.15 -0.79 -0.05 0.00 -1.47 0.00 0.00 33.84 31.68 2crm n VAL 103 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2crm s SER 104 N -2.25 6.65 1.00 -1.34 1.04 -0.92 -4.98 113.70 112.89 2crm s SER 104 Ca 0.62 1.20 -0.18 0.00 0.48 0.00 0.00 55.95 58.07 2crm s SER 104 Cb -0.22 -2.35 -0.11 0.00 0.10 0.00 0.00 66.02 63.44 2crm s SER 104 CO 0.63 -0.30 -0.63 -0.62 0.98 0.00 0.00 173.24 173.30 2crm n GLU 105 N -0.81 -0.13 -2.64 4.02 1.02 -1.26 -4.36 120.64 116.48 2crm n GLU 105 Ca 0.03 -0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.74 2crm n GLU 105 Cb 0.54 -1.20 -0.05 0.00 -0.02 0.00 0.00 31.44 30.71 2crm n GLU 105 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2crm s SER 106 N -1.24 7.46 -0.51 1.62 1.04 -1.26 -4.60 113.70 116.21 2crm s SER 106 Ca 0.44 2.01 -0.18 0.00 0.48 0.00 0.00 55.95 58.70 2crm s SER 106 Cb -0.15 -2.61 0.08 0.00 0.10 0.00 0.00 66.02 63.44 2crm s SER 106 CO 0.77 -0.03 0.54 -0.22 0.98 0.00 0.00 173.24 175.28 2crm s LEU 107 N -0.79 5.37 -0.37 2.42 2.96 0.12 -4.85 118.68 123.53 2crm s LEU 107 Ca 0.45 -1.21 -0.28 0.00 -0.22 0.00 0.00 54.13 52.87 2crm s LEU 107 Cb -0.27 -2.31 0.02 0.00 0.50 0.00 0.00 46.19 44.12 2crm s LEU 107 CO 0.34 -0.83 1.02 -0.22 -1.32 0.00 0.00 176.35 175.33 2crm s LEU 108 N 2.20 3.91 -0.10 -0.68 1.98 -1.26 -2.95 118.68 121.77 2crm s LEU 108 Ca 0.10 0.74 0.00 0.00 -2.89 0.00 0.00 54.13 52.08 2crm s LEU 108 Cb -0.23 -3.42 0.02 0.00 0.66 0.00 0.00 46.19 43.23 2crm s LEU 108 CO 0.08 -0.93 -0.10 -0.69 -1.89 0.00 0.00 176.35 172.82 2crm s VAL 109 N 3.70 1.14 -0.29 1.68 1.01 -1.20 -5.04 120.40 121.41 2crm s VAL 109 Ca 0.42 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 2crm s VAL 109 Cb -0.11 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2crm s VAL 109 CO 0.20 0.38 0.32 0.00 0.00 0.00 0.00 175.10 176.00 2crm s GLN 110 N 1.37 3.89 0.21 2.72 -2.07 -1.26 -3.84 119.66 120.68 2crm s GLN 110 Ca -0.01 -0.17 -0.26 0.00 -1.82 0.00 0.00 55.36 53.11 2crm s GLN 110 Cb -0.14 -3.69 -0.09 0.00 -1.09 0.00 0.00 33.01 28.01 2crm s GLN 110 CO -0.05 -0.31 0.83 0.95 -1.32 0.00 0.00 175.29 175.38 2crm s THR 111 N 1.98 4.31 -0.42 3.63 -4.23 -1.23 -4.99 115.64 114.69 2crm s THR 111 Ca 0.12 1.74 -0.28 0.00 -1.18 0.00 0.00 61.69 62.10 2crm s THR 111 Cb -0.16 -4.12 -0.01 0.00 1.34 0.00 0.00 72.50 69.54 2crm s THR 111 CO 0.11 0.42 1.75 -2.16 -0.54 0.00 0.00 174.62 174.19 2crm s PRO 112 N -1.40 3.19 0.24 3.99 0.04 -1.26 -2.48 135.00 137.31 2crm s PRO 112 Ca 0.40 1.12 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 2crm s PRO 112 Cb -0.22 -4.22 -0.16 0.00 0.04 0.00 0.00 34.50 29.94 2crm s PRO 112 CO 0.26 -2.04 0.73 0.00 0.04 0.00 0.00 177.00 175.99 2crm n ALA 113 N 10.68 -1.74 -1.53 8.56 0.00 -1.26 -4.38 120.51 130.84 2crm n ALA 113 Ca 0.21 0.41 -0.46 0.00 0.00 0.00 0.00 53.44 53.61 2crm n ALA 113 Cb 0.48 -1.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 2crm n ALA 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2crm n VAL 114 N 0.08 2.00 -0.04 0.00 0.31 -1.26 -4.86 118.33 114.56 2crm n VAL 114 Ca 0.14 -0.50 -0.02 0.00 -0.01 0.00 0.00 64.34 63.96 2crm n VAL 114 Cb 0.28 -0.71 -0.01 0.00 -0.91 0.00 0.00 33.84 32.50 2crm n VAL 114 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2crm h SER 115 N 1.70 0.00 -2.52 4.52 0.02 -2.04 -3.51 113.55 111.72 2crm h SER 115 Ca -0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2crm h SER 115 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2crm h SER 115 CO 0.59 0.39 0.00 0.61 -1.14 0.00 0.00 176.83 177.29 2crm n GLY 116 N 1.74 0.73 3.67 -3.77 0.00 -1.26 -5.06 105.19 101.25 2crm n GLY 116 Ca -0.03 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.18 4.23 0.56 1.61 0.04 -1.26 -5.00 135.00 134.00 2crm s PRO 117 Ca 0.00 2.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.87 2crm s PRO 117 Cb 0.00 -3.78 -0.05 0.00 0.04 0.00 0.00 34.50 30.71 2crm s PRO 117 CO 0.00 -0.72 1.12 -1.12 0.04 0.00 0.00 177.00 176.32 2crm s SER 118 N 2.52 5.69 0.21 6.66 0.01 -1.26 -4.93 113.70 122.60 2crm s SER 118 Ca 0.66 2.12 -0.31 0.00 1.31 0.00 0.00 55.95 59.73 2crm s SER 118 Cb -0.31 -2.57 -0.15 0.00 0.21 0.00 0.00 66.02 63.20 2crm s SER 118 CO 0.26 -1.24 1.11 -1.54 0.41 0.00 0.00 173.24 172.23 2crm n SER 119 N -1.44 1.28 0.00 2.44 3.41 -1.26 -5.32 113.62 112.72 2crm n SER 119 Ca 0.11 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.87 2crm n SER 119 Cb 0.51 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.23 2crm n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49