#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f12 n LEU 4 N 0.00 1.32 -4.68 1.04 0.00 -0.00 -4.92 117.00 109.75 2f12 n LEU 4 Ca 0.00 1.16 -0.42 0.00 0.00 0.00 0.00 56.01 56.75 2f12 n LEU 4 Cb 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 43.42 42.17 2f12 n LEU 4 CO 0.00 -1.57 1.04 -2.16 0.00 0.00 0.00 177.39 174.70 2f12 s PRO 5 N -1.10 4.30 0.28 1.96 0.04 -1.26 -4.96 135.00 134.26 2f12 s PRO 5 Ca 0.64 1.76 0.12 0.00 0.04 0.00 0.00 61.00 63.56 2f12 s PRO 5 Cb -0.78 -3.62 -0.05 0.00 0.04 0.00 0.00 34.50 30.08 2f12 s PRO 5 CO 0.57 -0.55 -0.20 0.14 0.04 0.00 0.00 177.00 177.00 2f12 s VAL 6 N 2.61 2.47 0.03 -0.36 -7.23 -1.26 -4.77 120.40 111.90 2f12 s VAL 6 Ca 0.58 -2.40 0.16 0.00 -1.81 0.00 0.00 61.98 58.51 2f12 s VAL 6 Cb -0.26 -2.30 0.08 0.00 0.56 0.00 0.00 36.38 34.46 2f12 s VAL 6 CO 0.22 -0.40 1.58 -0.07 -0.31 0.00 0.00 175.10 176.12 2f12 h LEU 7 N 2.29 0.00 -7.00 1.32 3.38 -1.00 -3.46 115.31 110.83 2f12 h LEU 7 Ca -0.40 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 2f12 h LEU 7 Cb 1.26 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.80 2f12 h LEU 7 CO 0.60 0.48 0.19 -1.58 0.09 0.00 0.00 178.44 178.21 2f12 s GLN 8 N -3.27 0.90 -0.28 1.13 0.74 -0.99 -4.83 119.66 113.06 2f12 s GLN 8 Ca 0.02 0.65 -0.01 0.00 0.05 0.00 0.00 55.36 56.06 2f12 s GLN 8 Cb 0.09 0.43 0.13 0.00 1.10 0.00 0.00 33.01 34.77 2f12 s GLN 8 CO 0.72 -0.19 0.29 0.21 -0.55 0.00 0.00 175.29 175.77 2f12 s LYS 9 N -0.31 0.31 -0.02 1.67 2.20 -1.25 -1.93 119.74 120.41 2f12 s LYS 9 Ca -0.04 -0.06 0.01 0.00 -0.36 0.00 0.00 55.97 55.52 2f12 s LYS 9 Cb -0.03 -0.71 0.01 0.00 -1.51 0.00 0.00 37.83 35.60 2f12 s LYS 9 CO 0.04 -0.96 -0.04 -2.00 -0.36 0.00 0.00 175.35 172.03 2f12 s GLU 10 N 2.37 0.47 -0.02 4.03 2.12 -0.35 -4.97 118.70 122.34 2f12 s GLU 10 Ca 0.09 -0.10 -0.30 0.00 0.36 0.00 0.00 54.97 55.02 2f12 s GLU 10 Cb -0.14 -0.50 -0.04 0.00 0.26 0.00 0.00 34.13 33.70 2f12 s GLU 10 CO -0.30 0.01 1.29 0.45 -0.54 0.00 0.00 175.26 176.17 2f12 s SER 11 N 0.38 6.96 -0.00 -1.70 0.15 -1.26 0.10 113.70 118.32 2f12 s SER 11 Ca -0.04 1.96 0.10 0.00 0.70 0.00 0.00 55.95 58.67 2f12 s SER 11 Cb -0.08 -2.56 -0.13 0.00 -1.71 0.00 0.00 66.02 61.55 2f12 s SER 11 CO -0.00 -0.64 0.38 1.33 1.20 0.00 0.00 173.24 175.50 2f12 n VAL 12 N 4.60 0.00 -3.76 4.45 0.24 -0.34 -4.90 118.33 118.61 2f12 n VAL 12 Ca 0.12 -0.25 -0.13 0.00 -2.04 0.00 0.00 64.34 62.04 2f12 n VAL 12 Cb 0.45 0.80 -0.13 0.00 -1.47 0.00 0.00 33.84 33.49 2f12 n VAL 12 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2f12 s PHE 13 N -2.17 -0.25 0.03 6.34 0.08 -1.12 -4.99 117.98 115.89 2f12 s PHE 13 Ca 0.02 0.62 0.01 0.00 0.12 0.00 0.00 56.93 57.70 2f12 s PHE 13 Cb 0.07 0.03 -0.02 0.00 -0.57 0.00 0.00 43.02 42.54 2f12 s PHE 13 CO 0.42 -0.17 -0.05 -0.65 -0.10 0.00 0.00 175.22 174.68 2f12 s GLN 14 N 0.79 0.37 0.09 0.44 -0.21 -1.26 -0.99 119.66 118.90 2f12 s GLN 14 Ca -0.06 -0.60 -0.31 0.00 0.02 0.00 0.00 55.36 54.42 2f12 s GLN 14 Cb -0.07 -0.07 -0.08 0.00 1.00 0.00 0.00 33.01 33.79 2f12 s GLN 14 CO -0.05 -0.00 1.56 -1.12 -2.12 0.00 0.00 175.29 173.56 2f12 s SER 15 N -1.33 6.66 0.00 5.90 0.01 -0.17 -4.76 113.70 120.02 2f12 s SER 15 Ca -0.12 2.44 0.00 0.00 1.31 0.00 0.00 55.95 59.58 2f12 s SER 15 Cb -0.09 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2f12 s SER 15 CO -0.00 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.44 2f12 n GLY 16 N 3.82 2.43 0.19 3.44 0.00 -1.26 -4.92 105.19 108.89 2f12 n GLY 16 Ca 0.14 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 46.06 2f12 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f12 h ALA 17 N 1.35 1.05 -1.69 4.61 0.00 -1.99 -3.45 119.26 119.15 2f12 h ALA 17 Ca 0.00 -0.34 -0.54 0.00 0.00 0.00 0.00 54.91 54.03 2f12 h ALA 17 Cb 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 17.60 2f12 h ALA 17 CO 0.00 0.47 -0.54 -1.01 0.00 0.00 0.00 179.25 178.17 2f12 s HIS 18 N -3.71 1.83 0.10 0.00 3.76 -1.26 -4.97 115.29 111.04 2f12 s HIS 18 Ca -0.01 -1.17 0.08 0.00 -0.15 0.00 0.00 55.06 53.82 2f12 s HIS 18 Cb 0.12 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.55 2f12 s HIS 18 CO 0.69 -0.18 -0.17 0.00 -0.85 0.00 0.00 174.74 174.23 2f12 s ALA 19 N -3.23 2.70 -0.03 -1.40 0.00 -0.34 -4.25 121.76 115.22 2f12 s ALA 19 Ca 0.27 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.96 2f12 s ALA 19 Cb 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 2f12 s ALA 19 CO 0.14 0.60 -0.16 0.71 0.00 0.00 0.00 175.76 177.04 2f12 s TYR 20 N -1.11 1.53 0.33 0.00 2.02 -1.26 -0.42 117.35 118.44 2f12 s TYR 20 Ca 0.18 -0.36 -0.13 0.00 -0.37 0.00 0.00 57.07 56.39 2f12 s TYR 20 Cb -0.11 -1.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.47 2f12 s TYR 20 CO 0.10 -0.08 0.64 1.03 -1.57 0.00 0.00 175.55 175.66 2f12 s ARG 21 N -0.18 1.94 -0.72 -0.62 0.52 -1.15 -4.72 118.95 114.03 2f12 s ARG 21 Ca 0.02 -1.40 -0.02 0.00 -0.52 0.00 0.00 55.73 53.81 2f12 s ARG 21 Cb -0.08 0.55 0.00 0.00 0.52 0.00 0.00 34.95 35.94 2f12 s ARG 21 CO 0.00 -0.87 0.68 -0.89 0.02 0.00 0.00 175.30 174.25 2f12 n ILE 22 N -0.50 -9.70 -2.14 1.52 2.08 -1.26 -0.83 119.36 108.53 2f12 n ILE 22 Ca -0.04 -0.13 -0.33 0.00 0.56 0.00 0.00 62.75 62.81 2f12 n ILE 22 Cb 0.61 -6.64 -0.00 0.00 -0.75 0.00 0.00 39.64 32.85 2f12 n ILE 22 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 2f12 s PRO 23 N -3.11 3.49 -0.09 0.38 0.04 -1.26 -3.85 135.00 130.59 2f12 s PRO 23 Ca 0.02 1.13 -0.07 0.00 0.04 0.00 0.00 61.00 62.13 2f12 s PRO 23 Cb -0.01 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.51 2f12 s PRO 23 CO 0.76 -0.66 0.24 0.00 0.04 0.00 0.00 177.00 177.38 2f12 s ALA 24 N -2.50 -0.57 -0.02 8.56 0.00 -0.61 -4.18 121.76 122.44 2f12 s ALA 24 Ca 0.62 0.79 0.05 0.00 0.00 0.00 0.00 51.96 53.42 2f12 s ALA 24 Cb -0.14 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.48 2f12 s ALA 24 CO 0.35 -0.14 -0.16 -1.17 0.00 0.00 0.00 175.76 174.64 2f12 s LEU 25 N 0.57 2.01 -0.03 0.00 2.96 -1.26 -0.73 118.68 122.21 2f12 s LEU 25 Ca -0.04 -0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 2f12 s LEU 25 Cb -0.05 -0.85 0.03 0.00 0.50 0.00 0.00 46.19 45.82 2f12 s LEU 25 CO -0.03 0.19 0.02 -0.22 -1.32 0.00 0.00 176.35 175.00 2f12 s LEU 26 N -0.33 1.00 -0.17 -0.68 2.96 -0.58 -4.35 118.68 116.53 2f12 s LEU 26 Ca 0.05 0.02 -0.08 0.00 -0.22 0.00 0.00 54.13 53.91 2f12 s LEU 26 Cb -0.07 -0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.45 2f12 s LEU 26 CO -0.00 -0.13 0.09 -0.47 -1.32 0.00 0.00 176.35 174.52 2f12 s TYR 27 N 1.18 3.36 -0.71 5.38 5.04 -1.26 -0.69 117.35 129.65 2f12 s TYR 27 Ca -0.08 0.25 -0.08 0.00 -2.44 0.00 0.00 57.07 54.72 2f12 s TYR 27 Cb -0.13 -2.06 0.19 0.00 0.35 0.00 0.00 41.96 40.30 2f12 s TYR 27 CO -0.03 0.33 0.58 -0.51 -1.34 0.00 0.00 175.55 174.58 2f12 s LEU 28 N 0.03 5.94 0.10 6.97 1.43 -0.01 -4.99 118.68 128.15 2f12 s LEU 28 Ca 0.08 -2.74 -0.19 0.00 -1.03 0.00 0.00 54.13 50.24 2f12 s LEU 28 Cb -0.12 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2f12 s LEU 28 CO 0.00 -0.48 1.29 -0.81 0.23 0.00 0.00 176.35 176.59 2f12 n PRO 29 N 3.77 -0.27 0.00 1.29 -0.04 -1.26 -0.53 135.00 137.95 2f12 n PRO 29 Ca 0.10 1.27 0.02 0.00 -0.04 0.00 0.00 63.50 64.85 2f12 n PRO 29 Cb 0.42 -1.88 0.10 0.00 -0.04 0.00 0.00 33.50 32.09 2f12 n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2f12 n GLY 30 N -1.16 -0.51 0.34 0.55 0.00 -1.26 -1.86 105.19 101.29 2f12 n GLY 30 Ca 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.07 2f12 n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2f12 n GLN 31 N -1.37 1.62 -2.63 1.61 1.13 0.31 -4.97 117.38 113.08 2f12 n GLN 31 Ca 0.02 -0.83 -0.14 0.00 -1.94 0.00 0.00 57.00 54.10 2f12 n GLN 31 Cb 0.04 -1.17 -0.00 0.00 0.11 0.00 0.00 30.24 29.21 2f12 n GLN 31 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2f12 n GLN 32 N 0.04 -2.56 -4.15 -1.09 6.02 -0.78 -4.83 117.38 110.03 2f12 n GLN 32 Ca 0.06 0.57 -0.11 0.00 -0.01 0.00 0.00 57.00 57.50 2f12 n GLN 32 Cb 0.27 -5.19 -0.10 0.00 1.02 0.00 0.00 30.24 26.24 2f12 n GLN 32 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2f12 s SER 33 N -2.18 1.08 0.14 1.08 1.04 -1.22 -0.04 113.70 113.60 2f12 s SER 33 Ca 0.08 -0.94 0.10 0.00 0.48 0.00 0.00 55.95 55.68 2f12 s SER 33 Cb -0.04 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 2f12 s SER 33 CO 0.10 -0.43 -0.23 -0.76 0.98 0.00 0.00 173.24 172.90 2f12 s LEU 34 N -2.82 2.47 -0.18 2.42 1.43 0.11 -0.83 118.68 121.28 2f12 s LEU 34 Ca 0.08 -0.71 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2f12 s LEU 34 Cb 0.03 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.94 2f12 s LEU 34 CO -0.04 0.17 -0.17 -0.76 0.23 0.00 0.00 176.35 175.77 2f12 s LEU 35 N -2.22 2.26 -0.24 1.79 1.43 0.13 -0.13 118.68 121.70 2f12 s LEU 35 Ca 0.17 -0.60 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 2f12 s LEU 35 Cb -0.10 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 2f12 s LEU 35 CO 0.08 0.00 0.02 0.00 0.23 0.00 0.00 176.35 176.68 2f12 s ALA 36 N 1.28 2.98 0.22 4.21 0.00 0.07 -1.53 121.76 129.00 2f12 s ALA 36 Ca 0.04 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 50.90 2f12 s ALA 36 Cb -0.13 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 2f12 s ALA 36 CO -0.11 -0.50 0.05 -0.06 0.00 0.00 0.00 175.76 175.15 2f12 s PHE 37 N 1.54 2.88 0.07 0.00 0.08 0.10 -1.12 117.98 121.52 2f12 s PHE 37 Ca 0.06 -0.15 -0.27 0.00 0.12 0.00 0.00 56.93 56.69 2f12 s PHE 37 Cb -0.15 -1.34 0.09 0.00 -0.57 0.00 0.00 43.02 41.05 2f12 s PHE 37 CO 0.00 0.55 0.83 0.00 -0.10 0.00 0.00 175.22 176.50 2f12 s ALA 38 N -2.00 -1.72 -0.01 5.36 0.00 -0.93 -1.57 121.76 120.89 2f12 s ALA 38 Ca 0.30 0.71 -0.21 0.00 0.00 0.00 0.00 51.96 52.76 2f12 s ALA 38 Cb -0.08 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 2f12 s ALA 38 CO 0.21 -0.78 0.62 -1.21 0.00 0.00 0.00 175.76 174.60 2f12 s GLU 39 N -3.32 4.35 -0.44 0.00 2.02 -0.01 -0.93 118.70 120.37 2f12 s GLU 39 Ca 0.05 0.78 -0.14 0.00 0.02 0.00 0.00 54.97 55.68 2f12 s GLU 39 Cb -0.01 -3.36 0.06 0.00 0.10 0.00 0.00 34.13 30.92 2f12 s GLU 39 CO -0.07 0.32 0.34 -1.14 0.02 0.00 0.00 175.26 174.73 2f12 s GLN 40 N -0.06 2.92 0.02 1.61 0.74 0.30 -2.91 119.66 122.27 2f12 s GLN 40 Ca 0.32 -1.27 -0.01 0.00 0.05 0.00 0.00 55.36 54.45 2f12 s GLN 40 Cb -0.18 -4.02 -0.04 0.00 1.10 0.00 0.00 33.01 29.86 2f12 s GLN 40 CO 0.18 -0.93 0.17 1.03 -0.55 0.00 0.00 175.29 175.19 2f12 s ARG 41 N 1.62 3.34 0.45 1.67 0.52 0.44 -2.53 118.95 124.45 2f12 s ARG 41 Ca 0.04 -0.42 0.13 0.00 -0.52 0.00 0.00 55.73 54.96 2f12 s ARG 41 Cb -0.23 -3.01 1.01 0.00 0.52 0.00 0.00 34.95 33.24 2f12 s ARG 41 CO 0.07 0.64 2.02 0.00 0.02 0.00 0.00 175.30 178.05 2f12 h ALA 42 N 3.55 1.73 -1.96 2.13 0.00 -1.93 -0.88 119.26 121.89 2f12 h ALA 42 Ca -0.47 -0.12 -0.68 0.00 0.00 0.00 0.00 54.91 53.64 2f12 h ALA 42 Cb 1.17 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.74 2f12 h ALA 42 CO 0.70 0.20 0.17 0.00 0.00 0.00 0.00 179.25 180.33 2f12 s ALA 49 N -4.83 3.34 -0.17 0.00 0.00 -1.26 -4.60 121.76 114.25 2f12 s ALA 49 Ca -0.05 -1.85 -0.14 0.00 0.00 0.00 0.00 51.96 49.93 2f12 s ALA 49 Cb 0.16 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 2f12 s ALA 49 CO 0.70 -2.23 -0.04 0.39 0.00 0.00 0.00 175.76 174.58 2f12 n GLU 50 N 6.51 0.49 -4.43 0.00 1.02 -1.10 -3.36 120.64 119.78 2f12 n GLU 50 Ca -0.06 0.54 -0.21 0.00 -0.02 0.00 0.00 57.16 57.41 2f12 n GLU 50 Cb 0.45 -1.71 -0.11 0.00 -0.02 0.00 0.00 31.44 30.05 2f12 n GLU 50 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2f12 s LEU 51 N -8.08 2.18 -0.13 -4.62 1.43 -1.05 -1.41 118.68 106.99 2f12 s LEU 51 Ca -0.20 -1.34 -0.02 0.00 -1.03 0.00 0.00 54.13 51.53 2f12 s LEU 51 Cb 0.04 -0.37 -0.02 0.00 0.03 0.00 0.00 46.19 45.86 2f12 s LEU 51 CO 0.36 -0.58 -0.07 -0.63 0.23 0.00 0.00 176.35 175.66 2f12 s ILE 52 N -3.31 3.64 0.30 -0.59 1.01 -1.26 0.11 121.20 121.09 2f12 s ILE 52 Ca 0.35 -0.46 0.09 0.00 0.00 0.00 0.00 60.65 60.63 2f12 s ILE 52 Cb 0.08 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 2f12 s ILE 52 CO 0.14 0.52 0.04 0.68 0.00 0.00 0.00 174.94 176.32 2f12 s VAL 53 N 0.17 3.19 -0.01 2.92 -7.23 -0.11 -0.99 120.40 118.35 2f12 s VAL 53 Ca -0.03 -1.86 -0.04 0.00 -1.81 0.00 0.00 61.98 58.23 2f12 s VAL 53 Cb -0.14 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.93 2f12 s VAL 53 CO 0.03 -0.29 0.09 -0.22 -0.31 0.00 0.00 175.10 174.40 2f12 s LEU 54 N -3.73 1.73 -0.05 1.32 2.96 0.11 -2.18 118.68 118.84 2f12 s LEU 54 Ca 0.34 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 2f12 s LEU 54 Cb -0.04 0.42 0.02 0.00 0.50 0.00 0.00 46.19 47.08 2f12 s LEU 54 CO 0.21 -0.22 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.82 2f12 s ARG 55 N -0.82 1.02 -0.10 1.98 0.52 -0.28 -0.70 118.95 120.58 2f12 s ARG 55 Ca -0.09 -0.19 -0.10 0.00 -0.52 0.00 0.00 55.73 54.83 2f12 s ARG 55 Cb -0.05 -0.95 -0.05 0.00 0.52 0.00 0.00 34.95 34.42 2f12 s ARG 55 CO 0.00 -0.03 0.22 0.50 0.02 0.00 0.00 175.30 176.02 2f12 s ARG 56 N 0.76 3.70 -0.04 3.54 3.52 -1.26 -0.75 118.95 128.42 2f12 s ARG 56 Ca -0.12 0.03 0.03 0.00 -0.13 0.00 0.00 55.73 55.54 2f12 s ARG 56 Cb -0.14 -3.24 0.00 0.00 -1.56 0.00 0.00 34.95 30.02 2f12 s ARG 56 CO 0.01 0.67 -0.11 0.20 -0.81 0.00 0.00 175.30 175.26 2f12 s GLY 57 N -0.79 0.64 -0.24 8.12 0.00 0.81 -0.50 107.32 115.36 2f12 s GLY 57 Ca 0.17 -0.40 -0.09 0.00 0.00 0.00 0.00 44.72 44.40 2f12 s GLY 57 CO 0.06 -0.09 0.13 -0.35 0.00 0.00 0.00 173.10 172.85 2f12 s ASP 58 N 0.26 5.79 -0.22 1.64 3.68 -0.40 0.04 116.67 127.46 2f12 s ASP 58 Ca -0.05 0.01 -0.20 0.00 2.13 0.00 0.00 52.55 54.44 2f12 s ASP 58 Cb -0.10 -2.04 -0.02 0.00 -1.45 0.00 0.00 42.92 39.30 2f12 s ASP 58 CO 0.01 0.04 0.61 -0.47 0.13 0.00 0.00 175.17 175.50 2f12 s TYR 59 N 1.19 3.34 -0.36 -5.34 5.04 0.94 -0.57 117.35 121.60 2f12 s TYR 59 Ca 0.06 0.87 -0.02 0.00 -2.44 0.00 0.00 57.07 55.54 2f12 s TYR 59 Cb -0.14 -2.79 0.08 0.00 0.35 0.00 0.00 41.96 39.46 2f12 s TYR 59 CO 0.05 -0.21 0.11 0.34 -1.34 0.00 0.00 175.55 174.50 2f12 s ASP 60 N 1.28 5.07 0.19 4.32 -1.08 0.39 -4.88 116.67 121.97 2f12 s ASP 60 Ca 0.27 -1.74 -0.11 0.00 -0.52 0.00 0.00 52.55 50.45 2f12 s ASP 60 Cb -0.16 -1.77 0.19 0.00 -1.46 0.00 0.00 42.92 39.73 2f12 s ASP 60 CO 0.10 -0.41 1.79 0.00 0.52 0.00 0.00 175.17 177.16 2f12 h ALA 61 N 7.99 0.76 -0.88 3.66 0.00 -1.96 -1.79 119.26 127.03 2f12 h ALA 61 Ca -0.15 0.03 0.17 0.00 0.00 0.00 0.00 54.91 54.95 2f12 h ALA 61 Cb 1.05 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 2f12 h ALA 61 CO 0.61 -0.05 0.57 -1.35 0.00 0.00 0.00 179.25 179.04 2f12 h PRO 62 N 0.56 0.53 -0.32 0.00 0.11 -1.95 0.35 132.00 131.28 2f12 h PRO 62 Ca 0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.34 2f12 h PRO 62 Cb 0.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.17 2f12 h PRO 62 CO -0.18 0.35 0.00 0.25 -0.21 0.00 0.00 178.00 178.20 2f12 n THR 63 N -4.54 0.40 -3.82 -1.15 -2.24 -1.01 -4.95 114.28 96.97 2f12 n THR 63 Ca 0.18 -0.67 -0.30 0.00 -2.27 0.00 0.00 64.05 60.99 2f12 n THR 63 Cb 0.57 0.99 0.01 0.00 -2.10 0.00 0.00 70.33 69.80 2f12 n THR 63 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2f12 n HIS 64 N 1.36 -2.09 -3.85 4.78 8.25 0.11 -4.94 115.22 118.83 2f12 n HIS 64 Ca 0.18 0.78 -0.11 0.00 -0.26 0.00 0.00 57.72 58.31 2f12 n HIS 64 Cb 0.58 -3.61 -0.10 0.00 1.12 0.00 0.00 29.99 27.98 2f12 n HIS 64 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2f12 s GLN 65 N -6.52 0.53 -0.18 -0.41 0.74 -0.93 -4.63 119.66 108.25 2f12 s GLN 65 Ca 0.62 -0.39 -0.06 0.00 0.05 0.00 0.00 55.36 55.58 2f12 s GLN 65 Cb -0.32 0.22 -0.03 0.00 1.10 0.00 0.00 33.01 33.98 2f12 s GLN 65 CO 0.76 -0.13 0.02 0.08 -0.55 0.00 0.00 175.29 175.46 2f12 s VAL 66 N -1.46 4.30 -0.28 1.34 1.01 -1.26 -0.46 120.40 123.59 2f12 s VAL 66 Ca -0.14 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.48 2f12 s VAL 66 Cb -0.07 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 2f12 s VAL 66 CO 0.02 0.46 0.40 -1.10 0.00 0.00 0.00 175.10 174.88 2f12 s GLN 67 N 0.52 3.93 -0.21 2.72 -1.52 0.27 -4.87 119.66 120.50 2f12 s GLN 67 Ca 0.00 -0.00 -0.14 0.00 -1.95 0.00 0.00 55.36 53.27 2f12 s GLN 67 Cb -0.14 -3.69 -0.04 0.00 -0.22 0.00 0.00 33.01 28.92 2f12 s GLN 67 CO 0.02 -0.35 0.30 -1.58 -0.25 0.00 0.00 175.29 173.43 2f12 s TRP 68 N 2.12 3.36 0.87 0.91 0.52 -1.26 -1.27 118.94 124.18 2f12 s TRP 68 Ca 0.16 0.48 -0.13 0.00 0.02 0.00 0.00 56.10 56.62 2f12 s TRP 68 Cb -0.16 -2.42 0.12 0.00 -1.15 0.00 0.00 33.47 29.87 2f12 s TRP 68 CO 0.10 0.04 1.23 -0.65 0.02 0.00 0.00 176.95 177.70 2f12 s GLN 69 N 1.13 1.46 0.44 4.98 -0.21 0.35 -5.00 119.66 122.80 2f12 s GLN 69 Ca 0.15 -0.07 -0.26 0.00 0.02 0.00 0.00 55.36 55.20 2f12 s GLN 69 Cb -0.14 -1.91 -0.09 0.00 1.00 0.00 0.00 33.01 31.87 2f12 s GLN 69 CO 0.06 -1.91 1.43 0.00 -2.12 0.00 0.00 175.29 172.75 2f12 s ALA 70 N -3.68 3.29 0.31 6.09 0.00 -1.26 -4.50 121.76 122.01 2f12 s ALA 70 Ca 0.66 1.47 -0.29 0.00 0.00 0.00 0.00 51.96 53.80 2f12 s ALA 70 Cb -0.09 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 19.34 2f12 s ALA 70 CO 0.51 -1.15 1.43 -1.14 0.00 0.00 0.00 175.76 175.40 2f12 s GLN 71 N -2.39 4.24 -0.01 0.00 0.74 -1.26 -4.66 119.66 116.32 2f12 s GLN 71 Ca 0.60 2.37 -0.01 0.00 0.05 0.00 0.00 55.36 58.37 2f12 s GLN 71 Cb -0.44 -3.05 0.00 0.00 1.10 0.00 0.00 33.01 30.62 2f12 s GLN 71 CO 0.57 -0.40 0.02 -1.21 -0.55 0.00 0.00 175.29 173.72 2f12 s GLU 72 N -1.29 0.06 0.15 1.67 2.02 0.12 -4.97 118.70 116.45 2f12 s GLU 72 Ca 0.55 -0.03 -0.30 0.00 0.02 0.00 0.00 54.97 55.20 2f12 s GLU 72 Cb -0.43 0.02 -0.07 0.00 0.10 0.00 0.00 34.13 33.76 2f12 s GLU 72 CO 0.52 -0.01 1.05 0.08 0.02 0.00 0.00 175.26 176.93 2f12 s VAL 73 N -0.14 4.12 -1.11 2.63 1.01 -1.26 0.05 120.40 125.70 2f12 s VAL 73 Ca -0.02 1.78 -0.18 0.00 0.00 0.00 0.00 61.98 63.56 2f12 s VAL 73 Cb -0.01 -4.14 0.12 0.00 0.00 0.00 0.00 36.38 32.35 2f12 s VAL 73 CO -0.00 0.28 1.41 -0.69 0.00 0.00 0.00 175.10 176.10 2f12 s VAL 74 N -0.07 4.56 0.25 2.92 1.01 -0.16 -4.85 120.40 124.06 2f12 s VAL 74 Ca 0.49 -1.85 -0.03 0.00 0.00 0.00 0.00 61.98 60.59 2f12 s VAL 74 Cb -0.27 -4.96 0.25 0.00 0.00 0.00 0.00 36.38 31.40 2f12 s VAL 74 CO 0.33 -1.73 1.69 0.00 0.00 0.00 0.00 175.10 175.39 2f12 h ALA 75 N 8.20 1.07 0.00 5.51 0.00 -1.93 -1.74 119.26 130.38 2f12 h ALA 75 Ca 0.28 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2f12 h ALA 75 Cb 0.94 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2f12 h ALA 75 CO 1.28 -0.32 0.00 1.96 0.00 0.00 0.00 179.25 182.17 2f12 h GLN 76 N 0.32 0.00 -3.62 0.00 1.08 -1.88 -3.38 115.11 107.63 2f12 h GLN 76 Ca 0.45 0.00 -0.63 0.00 -1.45 0.00 0.00 58.65 57.02 2f12 h GLN 76 Cb 0.77 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.21 2f12 h GLN 76 CO -0.50 0.00 3.19 0.00 -0.95 0.00 0.00 178.83 180.56 2f12 n ALA 77 N -2.03 5.80 -3.56 3.87 0.00 -0.65 -4.08 120.51 119.87 2f12 n ALA 77 Ca 0.02 -3.35 -0.08 0.00 0.00 0.00 0.00 53.44 50.03 2f12 n ALA 77 Cb 0.35 -3.41 -0.03 0.00 0.00 0.00 0.00 19.45 16.36 2f12 n ALA 77 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2f12 s ARG 78 N 3.13 0.58 0.01 0.00 1.70 -1.26 -4.66 118.95 118.45 2f12 s ARG 78 Ca 0.55 -0.10 0.05 0.00 -0.47 0.00 0.00 55.73 55.76 2f12 s ARG 78 Cb 0.15 0.27 -0.03 0.00 -0.57 0.00 0.00 34.95 34.77 2f12 s ARG 78 CO -0.04 -0.23 -0.13 -0.51 -1.08 0.00 0.00 175.30 173.31 2f12 s LEU 79 N -1.91 2.86 0.15 -1.89 1.43 -1.26 -4.83 118.68 113.22 2f12 s LEU 79 Ca 0.04 -0.27 -0.34 0.00 -1.03 0.00 0.00 54.13 52.53 2f12 s LEU 79 Cb -0.01 -1.65 -0.14 0.00 0.03 0.00 0.00 46.19 44.43 2f12 s LEU 79 CO -0.05 0.28 1.60 -0.67 0.23 0.00 0.00 176.35 177.75 2f12 n ASP 80 N 1.68 3.19 -0.39 2.29 -0.08 -1.26 -1.45 116.55 120.53 2f12 n ASP 80 Ca -0.16 1.08 -0.05 0.00 -1.51 0.00 0.00 54.79 54.15 2f12 n ASP 80 Cb 0.52 -1.44 -0.02 0.00 2.34 0.00 0.00 41.12 42.52 2f12 n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2f12 n GLY 81 N 3.50 0.74 3.31 0.27 0.00 -1.26 -5.02 105.19 106.74 2f12 n GLY 81 Ca 0.17 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.57 2f12 n GLY 81 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2f12 s HIS 82 N -2.05 1.62 -0.10 1.61 3.76 -0.53 -1.96 115.29 117.65 2f12 s HIS 82 Ca 0.00 -0.56 -0.08 0.00 -0.15 0.00 0.00 55.06 54.26 2f12 s HIS 82 Cb 0.00 -0.79 -0.04 0.00 1.11 0.00 0.00 32.58 32.86 2f12 s HIS 82 CO 0.00 0.27 0.19 1.03 -0.85 0.00 0.00 174.74 175.38 2f12 s ARG 83 N -3.21 3.53 -0.14 1.40 0.52 0.15 -4.59 118.95 116.62 2f12 s ARG 83 Ca 0.17 -0.03 -0.07 0.00 -0.52 0.00 0.00 55.73 55.28 2f12 s ARG 83 Cb -0.03 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 2f12 s ARG 83 CO 0.05 0.76 0.10 -1.12 0.02 0.00 0.00 175.30 175.12 2f12 s SER 84 N -1.05 6.05 0.21 0.23 0.01 -0.50 -0.79 113.70 117.86 2f12 s SER 84 Ca 0.17 0.31 -0.11 0.00 1.31 0.00 0.00 55.95 57.63 2f12 s SER 84 Cb -0.13 -1.96 -0.00 0.00 0.21 0.00 0.00 66.02 64.14 2f12 s SER 84 CO 0.06 0.33 0.40 0.00 0.41 0.00 0.00 173.24 174.44 2f12 s MET 85 N -0.55 1.39 -0.91 12.44 0.23 0.13 -4.30 119.30 127.72 2f12 s MET 85 Ca 0.12 -1.21 -0.04 0.00 -1.03 0.00 0.00 55.69 53.54 2f12 s MET 85 Cb -0.12 0.44 -0.04 0.00 -1.53 0.00 0.00 34.83 33.58 2f12 s MET 85 CO 0.02 -0.55 0.82 0.09 -2.03 0.00 0.00 175.02 173.37 2f12 n ASN 86 N -0.32 -7.04 -4.71 -1.18 5.03 -1.26 -0.00 115.26 105.78 2f12 n ASN 86 Ca -0.04 -0.45 -0.42 0.00 0.87 0.00 0.00 54.58 54.54 2f12 n ASN 86 Cb 0.63 -5.19 -0.03 0.00 -1.02 0.00 0.00 39.78 34.16 2f12 n ASN 86 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2f12 s PRO 87 N -3.83 4.22 -0.36 3.52 0.04 -1.26 -4.25 135.00 133.07 2f12 s PRO 87 Ca 0.27 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.65 2f12 s PRO 87 Cb -0.04 -3.27 0.12 0.00 0.04 0.00 0.00 34.50 31.35 2f12 s PRO 87 CO 0.73 -0.63 0.17 0.00 0.04 0.00 0.00 177.00 177.32 2f12 s PRO 89 N 1.09 3.77 -0.24 0.00 0.04 -1.25 -1.29 135.00 137.12 2f12 s PRO 89 Ca 0.14 0.64 -0.21 0.00 0.04 0.00 0.00 61.00 61.61 2f12 s PRO 89 Cb -0.21 -2.25 0.06 0.00 0.04 0.00 0.00 34.50 32.14 2f12 s PRO 89 CO -0.12 -0.23 0.63 -1.17 0.04 0.00 0.00 177.00 176.16 2f12 s LEU 90 N -4.27 -0.46 -0.24 -3.56 2.96 -0.34 -0.69 118.68 112.08 2f12 s LEU 90 Ca 0.54 1.29 -0.03 0.00 -0.22 0.00 0.00 54.13 55.71 2f12 s LEU 90 Cb -0.10 2.18 0.01 0.00 0.50 0.00 0.00 46.19 48.77 2f12 s LEU 90 CO 0.37 -0.22 -0.04 -0.47 -1.32 0.00 0.00 176.35 174.67 2f12 s TYR 91 N 0.46 3.02 -0.56 5.38 5.04 -1.26 0.15 117.35 129.58 2f12 s TYR 91 Ca -0.01 -1.25 -0.26 0.00 -2.44 0.00 0.00 57.07 53.11 2f12 s TYR 91 Cb -0.05 -2.10 0.04 0.00 0.35 0.00 0.00 41.96 40.20 2f12 s TYR 91 CO -0.01 -0.65 1.05 0.34 -1.34 0.00 0.00 175.55 174.94 2f12 s ASP 92 N 1.40 6.39 0.24 4.32 -1.08 -0.10 -4.89 116.67 122.95 2f12 s ASP 92 Ca 0.03 -0.13 0.21 0.00 -0.52 0.00 0.00 52.55 52.14 2f12 s ASP 92 Cb -0.16 -2.49 0.95 0.00 -1.46 0.00 0.00 42.92 39.77 2f12 s ASP 92 CO -0.04 -1.33 1.65 0.00 0.52 0.00 0.00 175.17 175.98 2f12 n ALA 93 N 7.86 1.50 -0.06 3.66 0.00 -1.26 -0.67 120.51 131.55 2f12 n ALA 93 Ca 0.05 0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.40 2f12 n ALA 93 Cb 0.48 -1.34 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 2f12 n ALA 93 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2f12 n GLN 94 N -2.14 0.70 0.01 0.00 7.27 -1.26 -4.42 117.38 117.54 2f12 n GLN 94 Ca 0.01 0.20 0.11 0.00 0.07 0.00 0.00 57.00 57.40 2f12 n GLN 94 Cb 0.17 -1.63 -0.02 0.00 2.41 0.00 0.00 30.24 31.18 2f12 n GLN 94 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2f12 n THR 95 N -3.31 0.09 -1.11 1.69 -2.24 -1.20 -4.96 114.28 103.24 2f12 n THR 95 Ca -0.36 -0.19 -0.04 0.00 -2.27 0.00 0.00 64.05 61.19 2f12 n THR 95 Cb 1.03 0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 69.65 2f12 n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f12 n GLY 96 N 1.40 0.65 3.85 3.38 0.00 0.16 -5.01 105.19 109.62 2f12 n GLY 96 Ca 0.02 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 2f12 n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f12 s THR 97 N -2.01 5.14 -0.20 2.61 2.01 -1.20 -4.78 115.64 117.20 2f12 s THR 97 Ca 0.00 0.66 -0.09 0.00 0.31 0.00 0.00 61.69 62.57 2f12 s THR 97 Cb 0.00 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.82 2f12 s THR 97 CO 0.00 0.55 0.10 -0.22 -0.69 0.00 0.00 174.62 174.37 2f12 s LEU 98 N -1.17 4.01 -0.01 4.42 0.20 -0.10 -0.92 118.68 125.12 2f12 s LEU 98 Ca 0.23 0.15 0.03 0.00 0.69 0.00 0.00 54.13 55.22 2f12 s LEU 98 Cb -0.15 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.54 2f12 s LEU 98 CO 0.12 0.16 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.91 2f12 s PHE 99 N 0.46 2.89 -0.32 5.38 0.08 0.12 -1.14 117.98 125.45 2f12 s PHE 99 Ca 0.06 -0.03 -0.01 0.00 0.12 0.00 0.00 56.93 57.06 2f12 s PHE 99 Cb -0.12 -1.62 0.11 0.00 -0.57 0.00 0.00 43.02 40.81 2f12 s PHE 99 CO -0.00 0.37 0.12 -1.17 -0.10 0.00 0.00 175.22 174.44 2f12 s LEU 100 N -1.33 1.88 0.37 -0.37 2.96 -0.39 -1.19 118.68 120.61 2f12 s LEU 100 Ca 0.16 -1.70 -0.13 0.00 -0.22 0.00 0.00 54.13 52.25 2f12 s LEU 100 Cb -0.11 -0.75 -0.08 0.00 0.50 0.00 0.00 46.19 45.75 2f12 s LEU 100 CO 0.07 -0.40 0.77 -0.36 -1.32 0.00 0.00 176.35 175.10 2f12 s PHE 101 N 1.56 3.42 0.09 5.38 0.08 -0.42 -2.15 117.98 125.94 2f12 s PHE 101 Ca 0.11 1.16 -0.26 0.00 0.12 0.00 0.00 56.93 58.06 2f12 s PHE 101 Cb -0.18 -2.51 0.08 0.00 -0.57 0.00 0.00 43.02 39.83 2f12 s PHE 101 CO -0.24 -0.03 0.92 -0.59 -0.10 0.00 0.00 175.22 175.19 2f12 s PHE 102 N -2.20 -0.22 -0.10 0.36 -0.12 -0.42 -0.99 117.98 114.30 2f12 s PHE 102 Ca 0.53 -0.01 -0.02 0.00 -0.05 0.00 0.00 56.93 57.38 2f12 s PHE 102 Cb -0.10 0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 42.86 2f12 s PHE 102 CO 0.24 -0.72 -0.03 0.42 -0.05 0.00 0.00 175.22 175.09 2f12 s ILE 103 N -3.23 4.06 -0.09 -4.49 1.09 1.00 -1.13 121.20 118.40 2f12 s ILE 103 Ca 0.09 -0.33 0.03 0.00 -1.10 0.00 0.00 60.65 59.34 2f12 s ILE 103 Cb -0.01 -2.71 -0.01 0.00 -1.06 0.00 0.00 42.46 38.66 2f12 s ILE 103 CO -0.03 0.58 -0.19 0.00 -0.10 0.00 0.00 174.94 175.20 2f12 s ALA 104 N -0.56 2.40 -0.01 9.38 0.00 -0.70 0.18 121.76 132.45 2f12 s ALA 104 Ca 0.09 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.12 2f12 s ALA 104 Cb -0.12 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 2f12 s ALA 104 CO 0.02 0.35 -0.10 0.42 0.00 0.00 0.00 175.76 176.45 2f12 s ILE 105 N 0.05 0.76 0.31 0.00 1.01 0.03 -1.22 121.20 122.15 2f12 s ILE 105 Ca -0.08 -0.41 -0.27 0.00 0.00 0.00 0.00 60.65 59.89 2f12 s ILE 105 Cb -0.15 -0.64 -0.13 0.00 0.01 0.00 0.00 42.46 41.54 2f12 s ILE 105 CO 0.05 0.22 1.02 -2.65 0.00 0.00 0.00 174.94 173.58 2f12 n PRO 106 N 2.85 1.40 -0.17 2.79 -0.02 -1.26 0.30 135.00 140.90 2f12 n PRO 106 Ca -0.14 0.49 -0.04 0.00 -2.02 0.00 0.00 63.50 61.79 2f12 n PRO 106 Cb 0.57 -1.90 0.05 0.00 -0.02 0.00 0.00 33.50 32.20 2f12 n PRO 106 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2f12 h GLY 107 N 1.95 0.72 -1.54 -1.23 0.00 -1.73 -2.33 103.07 98.91 2f12 h GLY 107 Ca -0.41 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2f12 h GLY 107 CO 0.60 0.13 0.00 -0.18 0.00 0.00 0.00 176.54 177.09 2f12 n GLN 108 N -4.87 0.36 -4.17 4.80 -0.06 -1.26 -4.70 117.38 107.48 2f12 n GLN 108 Ca 0.04 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.89 2f12 n GLN 108 Cb 0.13 -1.26 -0.11 0.00 -4.06 0.00 0.00 30.24 24.94 2f12 n GLN 108 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2f12 s VAL 109 N -0.11 0.97 0.00 1.69 1.01 -0.88 -5.16 120.40 117.93 2f12 s VAL 109 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 60.49 2f12 s VAL 109 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.17 2f12 s VAL 109 CO 0.00 -0.44 0.00 0.35 0.00 0.00 0.00 175.10 175.01 2f12 n THR 110 N 0.85 0.00 -0.10 3.92 -2.24 -1.26 -4.95 114.28 110.49 2f12 n THR 110 Ca -0.18 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.43 2f12 n THR 110 Cb 0.56 -0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 2f12 n THR 110 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2f12 n GLU 111 N 0.00 0.54 -0.04 -0.78 2.13 -1.26 -3.79 120.64 117.45 2f12 n GLU 111 Ca 0.00 0.35 0.16 0.00 0.66 0.00 0.00 57.16 58.33 2f12 n GLU 111 Cb 0.00 -1.55 0.60 0.00 0.27 0.00 0.00 31.44 30.76 2f12 n GLU 111 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 2f12 h GLN 112 N -1.00 0.18 -0.03 5.31 5.75 -1.99 0.45 115.11 123.79 2f12 h GLN 112 Ca -0.29 -0.01 -0.10 0.00 -0.15 0.00 0.00 58.65 58.10 2f12 h GLN 112 Cb 1.16 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.66 2f12 h GLN 112 CO -0.17 0.12 -0.46 0.37 -2.65 0.00 0.00 178.83 176.04 2f12 h GLN 113 N 0.19 0.07 0.19 1.69 4.15 -1.86 -3.17 115.11 116.36 2f12 h GLN 113 Ca 0.26 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 2f12 h GLN 113 Cb 0.79 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.48 2f12 h GLN 113 CO -0.04 0.51 -0.09 1.96 -1.93 0.00 0.00 178.83 179.24 2f12 h GLN 114 N 0.05 -0.24 -0.77 1.69 1.08 -0.23 -3.33 115.11 113.36 2f12 h GLN 114 Ca 0.00 0.02 0.16 0.00 -1.45 0.00 0.00 58.65 57.38 2f12 h GLN 114 Cb 0.84 0.06 -0.14 0.00 -0.05 0.00 0.00 27.48 28.18 2f12 h GLN 114 CO 0.06 0.16 -0.12 -0.07 -0.95 0.00 0.00 178.83 177.91 2f12 h LEU 115 N -0.82 -0.59 -7.02 1.46 4.07 -1.34 -3.39 115.31 107.68 2f12 h LEU 115 Ca -0.03 0.22 -0.47 0.00 0.08 0.00 0.00 57.88 57.69 2f12 h LEU 115 Cb 0.52 0.44 -0.41 0.00 1.08 0.00 0.00 40.66 42.29 2f12 h LEU 115 CO 0.04 -0.24 -0.75 -1.58 -1.08 0.00 0.00 178.44 174.83 2f12 s GLN 116 N -6.19 0.08 0.00 1.13 0.74 -1.20 -4.54 119.66 109.67 2f12 s GLN 116 Ca -0.14 -0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.14 2f12 s GLN 116 Cb 0.23 -1.75 0.00 0.00 1.10 0.00 0.00 33.01 32.58 2f12 s GLN 116 CO 0.75 -0.71 0.00 -2.37 -0.55 0.00 0.00 175.29 172.41 2f12 n THR 117 N 5.28 0.00 -0.88 -0.34 5.66 -1.25 -4.76 114.28 117.99 2f12 n THR 117 Ca -0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2f12 n THR 117 Cb 0.48 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 2f12 n THR 117 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2f12 n ARG 118 N 0.00 -0.90 -3.94 1.09 1.74 -1.26 -4.94 116.66 108.45 2f12 n ARG 118 Ca 0.00 0.23 -0.33 0.00 -0.77 0.00 0.00 57.85 56.97 2f12 n ARG 118 Cb 0.00 -4.22 -0.14 0.00 -1.02 0.00 0.00 32.46 27.08 2f12 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2f12 s ALA 119 N -1.51 2.93 -0.22 7.54 0.00 -1.26 -4.87 121.76 124.37 2f12 s ALA 119 Ca 0.00 -2.35 -0.29 0.00 0.00 0.00 0.00 51.96 49.32 2f12 s ALA 119 Cb 0.00 -2.06 0.01 0.00 0.00 0.00 0.00 23.12 21.06 2f12 s ALA 119 CO 0.00 -1.62 1.09 1.21 0.00 0.00 0.00 175.76 176.44 2f12 s ASN 120 N 1.26 7.05 -0.05 0.00 2.47 -1.24 -4.87 114.94 119.56 2f12 s ASN 120 Ca 0.06 1.42 0.07 0.00 0.42 0.00 0.00 52.86 54.83 2f12 s ASN 120 Cb -0.20 -2.54 0.11 0.00 -1.45 0.00 0.00 41.25 37.16 2f12 s ASN 120 CO -0.06 -0.71 0.98 1.33 -3.72 0.00 0.00 177.10 174.93 2f12 n VAL 121 N 5.38 0.87 -3.07 -5.21 0.24 -1.26 -5.05 118.33 110.22 2f12 n VAL 121 Ca 0.12 -1.01 -0.39 0.00 -2.04 0.00 0.00 64.34 61.02 2f12 n VAL 121 Cb 0.46 0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 33.07 2f12 n VAL 121 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2f12 s THR 122 N -1.23 4.55 0.04 3.34 2.01 -1.26 -4.44 115.64 118.64 2f12 s THR 122 Ca 0.12 1.53 0.06 0.00 0.31 0.00 0.00 61.69 63.72 2f12 s THR 122 Cb 0.10 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 2f12 s THR 122 CO 0.01 0.50 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.16 2f12 s ARG 123 N -0.93 2.17 -0.23 4.92 1.81 -0.36 -4.98 118.95 121.35 2f12 s ARG 123 Ca 0.34 -0.93 -0.10 0.00 -1.72 0.00 0.00 55.73 53.32 2f12 s ARG 123 Cb -0.21 -2.26 -0.05 0.00 -0.45 0.00 0.00 34.95 31.98 2f12 s ARG 123 CO 0.23 0.55 0.13 -1.17 -0.68 0.00 0.00 175.30 174.37 2f12 s LEU 124 N -1.50 3.98 0.22 2.53 2.96 -1.26 -1.72 118.68 123.89 2f12 s LEU 124 Ca 0.16 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 2f12 s LEU 124 Cb -0.11 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 2f12 s LEU 124 CO 0.06 0.07 -0.02 0.00 -1.32 0.00 0.00 176.35 175.14 2f12 s GLN 126 N -3.83 0.69 0.09 0.00 -2.07 -0.89 -1.30 119.66 112.35 2f12 s GLN 126 Ca 0.27 0.59 0.06 0.00 -1.82 0.00 0.00 55.36 54.46 2f12 s GLN 126 Cb 0.05 0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 32.27 2f12 s GLN 126 CO 0.08 -0.12 -0.16 0.14 -1.32 0.00 0.00 175.29 173.91 2f12 s VAL 127 N -0.07 1.34 0.16 3.63 -7.23 -0.92 -0.90 120.40 116.41 2f12 s VAL 127 Ca -0.03 -1.47 0.09 0.00 -1.81 0.00 0.00 61.98 58.77 2f12 s VAL 127 Cb -0.03 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 2f12 s VAL 127 CO 0.02 -0.22 -0.20 0.42 -0.31 0.00 0.00 175.10 174.81 2f12 s THR 128 N -1.43 1.91 -0.01 5.32 -4.23 -1.26 -1.26 115.64 114.67 2f12 s THR 128 Ca 0.03 -1.88 0.01 0.00 -1.18 0.00 0.00 61.69 58.67 2f12 s THR 128 Cb -0.09 -1.86 0.01 0.00 1.34 0.00 0.00 72.50 71.90 2f12 s THR 128 CO 0.03 -0.23 -0.02 -0.55 -0.54 0.00 0.00 174.62 173.30 2f12 s SER 129 N -2.55 0.40 -0.01 3.99 0.15 -0.29 -0.50 113.70 114.89 2f12 s SER 129 Ca 0.15 -0.05 0.10 0.00 0.70 0.00 0.00 55.95 56.85 2f12 s SER 129 Cb -0.07 -0.11 0.28 0.00 -1.71 0.00 0.00 66.02 64.41 2f12 s SER 129 CO 0.07 -0.01 1.23 0.35 1.20 0.00 0.00 173.24 176.08 2f12 n THR 130 N 3.37 1.07 -2.37 6.45 -2.24 -1.26 -0.92 114.28 118.38 2f12 n THR 130 Ca -0.17 -1.05 -0.15 0.00 -2.27 0.00 0.00 64.05 60.40 2f12 n THR 130 Cb 0.56 0.46 0.03 0.00 -2.10 0.00 0.00 70.33 69.28 2f12 n THR 130 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2f12 n ASP 131 N 0.33 3.60 -2.75 3.42 5.75 -1.26 -4.97 116.55 120.67 2f12 n ASP 131 Ca 0.11 -3.11 -0.22 0.00 -0.01 0.00 0.00 54.79 51.56 2f12 n ASP 131 Cb 0.43 -0.41 0.02 0.00 -1.03 0.00 0.00 41.12 40.13 2f12 n ASP 131 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2f12 n HIS 132 N -0.62 -1.61 -0.55 2.11 8.25 -1.26 -2.77 115.22 118.77 2f12 n HIS 132 Ca 0.29 0.34 0.00 0.00 -0.26 0.00 0.00 57.72 58.09 2f12 n HIS 132 Cb 0.88 -4.28 0.00 0.00 1.12 0.00 0.00 29.99 27.71 2f12 n HIS 132 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2f12 n GLY 133 N -1.35 0.76 0.16 -1.41 0.00 -1.26 -4.95 105.19 97.14 2f12 n GLY 133 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 2f12 n GLY 133 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2f12 h ARG 134 N 3.53 -0.30 -5.99 1.61 3.08 -1.94 -3.45 114.38 110.92 2f12 h ARG 134 Ca 0.00 0.02 -0.53 0.00 0.07 0.00 0.00 59.98 59.54 2f12 h ARG 134 Cb 0.00 0.07 -0.19 0.00 0.08 0.00 0.00 29.97 29.92 2f12 h ARG 134 CO 0.00 0.02 -0.80 0.95 -1.07 0.00 0.00 179.97 179.07 2f12 s THR 135 N -4.75 1.75 0.22 2.04 -4.23 -1.26 -5.12 115.64 104.28 2f12 s THR 135 Ca -0.14 -1.76 0.09 0.00 -1.18 0.00 0.00 61.69 58.70 2f12 s THR 135 Cb 0.02 -1.71 -0.05 0.00 1.34 0.00 0.00 72.50 72.11 2f12 s THR 135 CO 0.58 -0.22 -0.17 0.26 -0.54 0.00 0.00 174.62 174.53 2f12 s TRP 136 N -1.70 1.88 0.84 3.99 0.52 -1.26 -4.45 118.94 118.77 2f12 s TRP 136 Ca 0.12 -0.49 -0.10 0.00 0.02 0.00 0.00 56.10 55.65 2f12 s TRP 136 Cb -0.07 -0.87 0.15 0.00 -1.15 0.00 0.00 33.47 31.53 2f12 s TRP 136 CO 0.05 0.44 1.17 -1.54 0.02 0.00 0.00 176.95 177.10 2f12 s SER 137 N -3.23 3.81 0.54 2.95 1.04 0.34 -4.94 113.70 114.21 2f12 s SER 137 Ca 0.23 0.12 -0.19 0.00 0.48 0.00 0.00 55.95 56.59 2f12 s SER 137 Cb -0.03 -0.38 -0.06 0.00 0.10 0.00 0.00 66.02 65.65 2f12 s SER 137 CO 0.09 -2.26 1.12 -0.44 0.98 0.00 0.00 173.24 172.73 2f12 s SER 138 N -4.77 5.78 0.58 7.02 0.01 -1.26 -4.59 113.70 116.46 2f12 s SER 138 Ca 0.69 2.15 -0.19 0.00 1.31 0.00 0.00 55.95 59.91 2f12 s SER 138 Cb -0.06 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 2f12 s SER 138 CO 0.49 -1.18 1.16 -2.16 0.41 0.00 0.00 173.24 171.97 2f12 s PRO 139 N -3.29 3.13 -0.17 12.44 0.04 -1.26 -4.73 135.00 141.16 2f12 s PRO 139 Ca 0.72 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2f12 s PRO 139 Cb -0.23 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.35 2f12 s PRO 139 CO 0.26 -1.05 -0.16 1.03 0.04 0.00 0.00 177.00 177.13 2f12 s ARG 140 N -3.36 3.15 -0.64 4.56 0.52 -0.08 -4.95 118.95 118.15 2f12 s ARG 140 Ca 0.74 -0.76 -0.24 0.00 -0.52 0.00 0.00 55.73 54.95 2f12 s ARG 140 Cb -0.27 -2.65 0.06 0.00 0.52 0.00 0.00 34.95 32.61 2f12 s ARG 140 CO 0.31 -0.09 1.00 0.34 0.02 0.00 0.00 175.30 176.88 2f12 s ASP 141 N 1.06 6.22 0.00 0.23 3.68 -1.26 -2.09 116.67 124.51 2f12 s ASP 141 Ca -0.01 -0.73 0.28 0.00 2.13 0.00 0.00 52.55 54.22 2f12 s ASP 141 Cb -0.14 -2.44 1.05 0.00 -1.45 0.00 0.00 42.92 39.93 2f12 s ASP 141 CO -0.05 -1.44 1.75 0.18 0.13 0.00 0.00 175.17 175.75 2f12 n LEU 142 N 7.88 0.60 -0.03 -1.34 4.77 0.15 -4.64 117.00 124.39 2f12 n LEU 142 Ca -0.01 -0.04 -0.01 0.00 -0.03 0.00 0.00 56.01 55.92 2f12 n LEU 142 Cb 0.46 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2f12 n LEU 142 CO 0.65 0.11 0.44 0.41 -1.33 0.00 0.00 177.39 177.67 2f12 n THR 143 N -0.93 -0.04 -0.16 -5.08 -1.04 -1.18 -0.85 114.28 104.99 2f12 n THR 143 Ca 0.13 1.37 -0.07 0.00 -2.04 0.00 0.00 64.05 63.44 2f12 n THR 143 Cb 0.30 -1.82 0.02 0.00 -1.82 0.00 0.00 70.33 67.01 2f12 n THR 143 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 2f12 h ASP 144 N 0.00 0.57 0.22 8.00 5.19 -1.94 -1.73 116.42 126.73 2f12 h ASP 144 Ca 0.01 -0.02 -0.15 0.00 -0.62 0.00 0.00 57.03 56.25 2f12 h ASP 144 Cb 0.03 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 2f12 h ASP 144 CO -0.06 0.42 -0.59 0.00 -3.12 0.00 0.00 179.24 175.89 2f12 h ALA 145 N 1.17 0.78 0.00 3.45 0.00 -1.84 -1.86 119.26 120.96 2f12 h ALA 145 Ca 0.18 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 2f12 h ALA 145 Cb -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2f12 h ALA 145 CO -0.04 0.71 -0.95 0.00 0.00 0.00 0.00 179.25 178.97 2f12 h ALA 146 N 1.09 0.66 0.00 0.00 0.00 -0.95 -3.41 119.26 116.65 2f12 h ALA 146 Ca -0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 54.91 54.04 2f12 h ALA 146 Cb 1.11 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2f12 h ALA 146 CO 0.10 0.65 -2.08 -0.89 0.00 0.00 0.00 179.25 177.03 2f12 n ILE 147 N -3.00 1.07 -4.21 0.00 5.41 -0.65 -3.48 119.36 114.50 2f12 n ILE 147 Ca -0.03 -0.32 0.00 0.00 1.00 0.00 0.00 62.75 63.40 2f12 n ILE 147 Cb 0.75 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 2f12 n ILE 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2f12 n GLY 148 N 2.07 -1.07 0.40 7.39 0.00 -0.70 -4.05 105.19 109.22 2f12 n GLY 148 Ca -0.37 -1.22 0.22 0.00 0.00 0.00 0.00 46.02 44.65 2f12 n GLY 148 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2f12 h PRO 149 N 0.00 0.41 -1.22 1.61 0.11 -1.98 -1.15 132.00 129.77 2f12 h PRO 149 Ca 0.00 -0.02 0.35 0.00 0.11 0.00 0.00 66.00 66.44 2f12 h PRO 149 Cb 0.00 -0.09 -0.07 0.00 0.11 0.00 0.00 31.00 30.95 2f12 h PRO 149 CO 0.00 0.27 0.86 0.00 -0.21 0.00 0.00 178.00 178.92 2f12 h ALA 150 N 1.64 2.96 -0.95 -0.75 0.00 -2.01 -1.69 119.26 118.47 2f12 h ALA 150 Ca 0.61 -0.01 0.29 0.00 0.00 0.00 0.00 54.91 55.80 2f12 h ALA 150 Cb 1.48 0.09 -0.16 0.00 0.00 0.00 0.00 17.79 19.19 2f12 h ALA 150 CO -0.34 -1.35 0.26 -0.92 0.00 0.00 0.00 179.25 176.90 2f12 h TYR 151 N 0.09 0.37 0.00 0.00 3.20 -1.42 0.52 116.97 119.73 2f12 h TYR 151 Ca 0.62 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.54 2f12 h TYR 151 Cb 2.24 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 40.50 2f12 h TYR 151 CO -0.00 -0.33 0.00 2.89 -1.64 0.00 0.00 178.16 179.08 2f12 n ARG 152 N -5.30 0.13 -0.03 1.82 1.85 -0.64 -2.57 116.66 111.91 2f12 n ARG 152 Ca 0.26 0.28 0.13 0.00 -1.00 0.00 0.00 57.85 57.52 2f12 n ARG 152 Cb 0.86 -1.70 0.45 0.00 -1.05 0.00 0.00 32.46 31.01 2f12 n ARG 152 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2f12 n GLU 153 N -1.93 1.75 -4.33 2.89 1.02 0.18 -4.89 120.64 115.32 2f12 n GLU 153 Ca 0.04 -1.10 -0.30 0.00 -0.02 0.00 0.00 57.16 55.78 2f12 n GLU 153 Cb 0.27 -1.45 -0.11 0.00 -0.02 0.00 0.00 31.44 30.12 2f12 n GLU 153 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2f12 s TRP 154 N -1.92 2.57 0.02 -0.32 0.51 -1.06 -1.57 118.94 117.16 2f12 s TRP 154 Ca 0.36 -0.25 0.02 0.00 -2.12 0.00 0.00 56.10 54.11 2f12 s TRP 154 Cb 0.20 -1.37 -0.25 0.00 -0.81 0.00 0.00 33.47 31.24 2f12 s TRP 154 CO 0.31 0.38 0.90 0.66 -0.51 0.00 0.00 176.95 178.69 2f12 h SER 155 N 3.81 0.22 -1.59 2.95 4.64 -1.45 -3.34 113.55 118.80 2f12 h SER 155 Ca -0.49 -0.32 0.18 0.00 -0.47 0.00 0.00 61.79 60.69 2f12 h SER 155 Cb 1.17 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.15 2f12 h SER 155 CO 0.47 1.27 0.52 1.07 -0.87 0.00 0.00 176.83 179.29 2f12 n THR 156 N -3.35 0.00 -3.87 2.95 5.66 -1.25 -3.62 114.28 110.80 2f12 n THR 156 Ca -0.13 -0.19 -0.02 0.00 -3.05 0.00 0.00 64.05 60.65 2f12 n THR 156 Cb 1.02 0.42 0.01 0.00 -1.55 0.00 0.00 70.33 70.23 2f12 n THR 156 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2f12 s PHE 157 N -2.76 0.04 0.17 1.09 -0.12 -1.26 -1.15 117.98 113.99 2f12 s PHE 157 Ca 0.18 -0.40 -0.24 0.00 -0.05 0.00 0.00 56.93 56.42 2f12 s PHE 157 Cb -0.01 0.68 0.06 0.00 -0.63 0.00 0.00 43.02 43.11 2f12 s PHE 157 CO 0.01 -0.83 0.90 0.00 -0.05 0.00 0.00 175.22 175.25 2f12 s ALA 158 N -2.27 -1.58 0.04 1.99 0.00 -0.63 -5.00 121.76 114.32 2f12 s ALA 158 Ca 0.21 0.11 0.09 0.00 0.00 0.00 0.00 51.96 52.37 2f12 s ALA 158 Cb -0.02 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.74 2f12 s ALA 158 CO 0.04 -1.01 -0.24 0.14 0.00 0.00 0.00 175.76 174.69 2f12 s VAL 159 N -3.41 2.36 0.00 0.00 -7.23 -1.26 -1.86 120.40 109.00 2f12 s VAL 159 Ca 0.11 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2f12 s VAL 159 Cb -0.02 -1.94 0.00 0.00 0.56 0.00 0.00 36.38 34.97 2f12 s VAL 159 CO 0.02 0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.78 2f12 n GLY 160 N 1.71 3.60 3.76 2.32 0.00 -0.18 -4.74 105.19 111.65 2f12 n GLY 160 Ca -0.17 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2f12 n GLY 160 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2f12 s PRO 161 N 0.00 1.47 0.00 1.61 0.04 -1.26 -3.82 135.00 133.03 2f12 s PRO 161 Ca 0.00 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2f12 s PRO 161 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2f12 s PRO 161 CO 0.00 -2.04 0.00 0.41 0.04 0.00 0.00 177.00 175.41 2f12 n GLY 162 N -1.70 1.84 3.60 0.56 0.00 -1.00 -4.90 105.19 103.59 2f12 n GLY 162 Ca 0.07 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.58 2f12 n GLY 162 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2f12 n HIS 163 N -0.05 0.76 -2.25 1.61 1.44 -1.26 -3.95 115.22 111.53 2f12 n HIS 163 Ca 0.00 0.45 0.00 0.00 -2.01 0.00 0.00 57.72 56.16 2f12 n HIS 163 Cb 0.00 -2.14 0.00 0.00 0.12 0.00 0.00 29.99 27.97 2f12 n HIS 163 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2f12 s LEU 165 N 0.00 2.07 -0.13 0.00 2.96 -0.62 -4.94 118.68 118.02 2f12 s LEU 165 Ca 0.00 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 2f12 s LEU 165 Cb 0.00 -0.06 0.01 0.00 0.50 0.00 0.00 46.19 46.64 2f12 s LEU 165 CO 0.00 -0.06 -0.20 -1.58 -1.32 0.00 0.00 176.35 173.19 2f12 s GLN 166 N -0.44 2.80 0.55 1.98 0.74 -1.26 0.22 119.66 124.26 2f12 s GLN 166 Ca -0.03 -0.78 -0.08 0.00 0.05 0.00 0.00 55.36 54.52 2f12 s GLN 166 Cb -0.03 -2.26 -0.04 0.00 1.10 0.00 0.00 33.01 31.78 2f12 s GLN 166 CO -0.00 0.00 0.91 -0.51 -0.55 0.00 0.00 175.29 175.14 2f12 s LEU 167 N 0.79 3.42 -0.29 3.68 1.43 0.01 -4.96 118.68 122.75 2f12 s LEU 167 Ca -0.09 1.16 0.07 0.00 -1.03 0.00 0.00 54.13 54.25 2f12 s LEU 167 Cb -0.16 -4.16 0.61 0.00 0.03 0.00 0.00 46.19 42.52 2f12 s LEU 167 CO -0.00 -0.74 1.65 0.59 0.23 0.00 0.00 176.35 178.08 2f12 n ASN 168 N -2.52 4.23 -3.82 2.29 4.13 -1.26 -3.95 115.26 114.36 2f12 n ASN 168 Ca 0.03 -3.06 -0.30 0.00 1.68 0.00 0.00 54.58 52.93 2f12 n ASN 168 Cb 0.55 -0.72 0.23 0.00 -1.54 0.00 0.00 39.78 38.29 2f12 n ASN 168 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 2f12 s ASP 169 N -0.77 1.70 0.18 6.41 -4.77 -1.26 -4.86 116.67 113.29 2f12 s ASP 169 Ca 0.46 0.37 -0.14 0.00 -3.30 0.00 0.00 52.55 49.94 2f12 s ASP 169 Cb 0.37 -0.45 0.16 0.00 -1.09 0.00 0.00 42.92 41.91 2f12 s ASP 169 CO 0.11 -3.62 1.72 -0.09 0.70 0.00 0.00 175.17 173.99 2f12 h ARG 170 N -2.25 0.21 -0.00 2.11 9.65 -2.02 -2.18 114.38 119.90 2f12 h ARG 170 Ca -0.44 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 2f12 h ARG 170 Cb 1.25 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 2f12 h ARG 170 CO 0.32 0.14 -0.04 0.00 2.80 0.00 0.00 179.97 183.19 2f12 n ALA 171 N -2.51 2.64 -3.71 2.80 0.00 -1.26 -4.91 120.51 113.55 2f12 n ALA 171 Ca 0.04 -0.22 -0.23 0.00 0.00 0.00 0.00 53.44 53.04 2f12 n ALA 171 Cb 0.22 -1.43 0.04 0.00 0.00 0.00 0.00 19.45 18.28 2f12 n ALA 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2f12 n ARG 172 N -1.01 -5.22 -1.62 0.00 5.12 -0.82 -4.72 116.66 108.38 2f12 n ARG 172 Ca 0.17 0.64 -0.39 0.00 -1.93 0.00 0.00 57.85 56.34 2f12 n ARG 172 Cb 0.22 -5.29 0.04 0.00 -1.16 0.00 0.00 32.46 26.27 2f12 n ARG 172 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2f12 n SER 173 N -3.02 0.99 -4.72 0.55 7.64 -1.25 -4.58 113.62 109.23 2f12 n SER 173 Ca -0.23 0.88 -0.36 0.00 1.01 0.00 0.00 58.87 60.17 2f12 n SER 173 Cb 0.65 -1.39 -0.08 0.00 -1.01 0.00 0.00 64.21 62.38 2f12 n SER 173 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2f12 s LEU 174 N -1.58 4.20 -0.17 -3.43 1.02 0.58 -0.81 118.68 118.48 2f12 s LEU 174 Ca 0.71 0.27 0.01 0.00 0.02 0.00 0.00 54.13 55.14 2f12 s LEU 174 Cb -0.45 -2.15 0.02 0.00 0.02 0.00 0.00 46.19 43.63 2f12 s LEU 174 CO 0.50 0.14 -0.16 -0.69 0.02 0.00 0.00 176.35 176.16 2f12 s VAL 175 N 0.51 1.84 -0.32 -1.59 1.01 0.13 -1.70 120.40 120.28 2f12 s VAL 175 Ca 0.10 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 2f12 s VAL 175 Cb -0.12 -1.71 0.04 0.00 0.00 0.00 0.00 36.38 34.59 2f12 s VAL 175 CO 0.00 0.45 0.07 -0.69 0.00 0.00 0.00 175.10 174.93 2f12 s VAL 176 N 1.37 3.59 0.53 2.92 1.01 -0.31 -1.59 120.40 127.92 2f12 s VAL 176 Ca 0.04 -1.11 -0.21 0.00 0.00 0.00 0.00 61.98 60.69 2f12 s VAL 176 Cb -0.13 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2f12 s VAL 176 CO -0.11 -0.10 1.24 -2.16 0.00 0.00 0.00 175.10 173.96 2f12 s PRO 177 N 1.38 3.30 0.19 2.72 0.04 -1.26 -0.67 135.00 140.70 2f12 s PRO 177 Ca -0.02 1.93 -0.18 0.00 0.04 0.00 0.00 61.00 62.77 2f12 s PRO 177 Cb -0.19 -2.19 0.07 0.00 0.04 0.00 0.00 34.50 32.22 2f12 s PRO 177 CO 0.02 -0.97 0.88 0.00 0.04 0.00 0.00 177.00 176.96 2f12 n ALA 178 N -1.04 -2.26 -3.50 8.56 0.00 0.95 -1.02 120.51 122.21 2f12 n ALA 178 Ca 0.10 -0.95 -0.17 0.00 0.00 0.00 0.00 53.44 52.43 2f12 n ALA 178 Cb 0.48 0.57 -0.06 0.00 0.00 0.00 0.00 19.45 20.44 2f12 n ALA 178 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2f12 s TYR 179 N -2.61 -0.63 0.02 0.00 -0.85 -0.78 -0.44 117.35 112.06 2f12 s TYR 179 Ca 0.19 1.02 0.04 0.00 -0.52 0.00 0.00 57.07 57.81 2f12 s TYR 179 Cb -0.03 0.41 -0.02 0.00 0.38 0.00 0.00 41.96 42.71 2f12 s TYR 179 CO 0.06 -0.63 -0.13 0.00 -1.52 0.00 0.00 175.55 173.33 2f12 s ALA 180 N -1.46 1.10 -0.38 9.51 0.00 -0.66 -1.60 121.76 128.27 2f12 s ALA 180 Ca -0.10 -0.71 -0.20 0.00 0.00 0.00 0.00 51.96 50.94 2f12 s ALA 180 Cb -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.92 2f12 s ALA 180 CO 0.07 0.23 0.63 0.71 0.00 0.00 0.00 175.76 177.40 2f12 s TYR 181 N -0.65 3.12 -0.12 0.00 2.02 -0.30 -1.62 117.35 119.80 2f12 s TYR 181 Ca 0.02 0.21 -0.03 0.00 -0.37 0.00 0.00 57.07 56.90 2f12 s TYR 181 Cb -0.07 -3.19 -0.03 0.00 -0.40 0.00 0.00 41.96 38.27 2f12 s TYR 181 CO 0.01 -0.70 0.01 -0.98 -1.57 0.00 0.00 175.55 172.31 2f12 s ARG 182 N 2.73 3.33 -1.07 -0.62 1.70 -0.14 -1.18 118.95 123.68 2f12 s ARG 182 Ca 0.23 -0.42 -0.20 0.00 -0.47 0.00 0.00 55.73 54.88 2f12 s ARG 182 Cb -0.14 -2.90 0.08 0.00 -0.57 0.00 0.00 34.95 31.42 2f12 s ARG 182 CO 0.16 0.52 1.44 0.15 -1.08 0.00 0.00 175.30 176.49 2f12 s LYS 183 N -0.37 3.72 -0.03 3.89 1.02 -0.61 -0.69 119.74 126.66 2f12 s LYS 183 Ca 0.07 -1.57 0.02 0.00 0.02 0.00 0.00 55.97 54.51 2f12 s LYS 183 Cb -0.12 -5.27 -0.25 0.00 -0.52 0.00 0.00 37.83 31.66 2f12 s LYS 183 CO 0.02 -2.08 0.70 -0.07 -0.92 0.00 0.00 175.35 173.00 2f12 h LEU 184 N 11.94 0.25 0.00 3.17 3.38 -1.86 -3.48 115.31 128.70 2f12 h LEU 184 Ca 0.25 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2f12 h LEU 184 Cb 0.97 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2f12 h LEU 184 CO 1.35 1.38 0.00 1.41 0.09 0.00 0.00 178.44 182.67 2f12 n HIS 185 N -3.32 0.00 0.36 1.13 8.25 -1.26 -5.10 115.22 115.28 2f12 n HIS 185 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2f12 n HIS 185 Cb 1.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.15 2f12 n HIS 185 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2f12 n ILE 187 N 0.00 0.09 -4.62 1.59 -5.35 -1.26 -4.75 119.36 105.06 2f12 n ILE 187 Ca 0.00 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.20 2f12 n ILE 187 Cb 0.00 -0.31 -0.10 0.00 -1.74 0.00 0.00 39.64 37.49 2f12 n ILE 187 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2f12 s GLN 188 N -0.59 1.97 0.58 6.28 -2.07 -1.26 -5.11 119.66 119.45 2f12 s GLN 188 Ca 0.00 -2.14 -0.17 0.00 -1.82 0.00 0.00 55.36 51.23 2f12 s GLN 188 Cb 0.00 -1.53 -0.04 0.00 -1.09 0.00 0.00 33.01 30.35 2f12 s GLN 188 CO 0.00 -0.12 1.09 -0.98 -1.32 0.00 0.00 175.29 173.96 2f12 s ARG 189 N -3.75 3.29 0.37 9.60 1.70 -1.26 -4.92 118.95 123.97 2f12 s ARG 189 Ca 0.30 1.39 -0.27 0.00 -0.47 0.00 0.00 55.73 56.68 2f12 s ARG 189 Cb 0.08 -2.02 -0.11 0.00 -0.57 0.00 0.00 34.95 32.34 2f12 s ARG 189 CO 0.15 -0.86 1.30 -2.30 -1.08 0.00 0.00 175.30 172.51 2f12 n PRO 190 N -1.73 2.10 -4.30 3.89 -0.02 -1.26 -4.79 135.00 128.88 2f12 n PRO 190 Ca 0.10 0.74 -0.34 0.00 -2.02 0.00 0.00 63.50 61.98 2f12 n PRO 190 Cb 0.52 -2.38 -0.12 0.00 -0.02 0.00 0.00 33.50 31.50 2f12 n PRO 190 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2f12 s ILE 191 N -1.14 3.86 0.14 4.25 1.01 0.13 -4.77 121.20 124.68 2f12 s ILE 191 Ca 0.57 -0.36 -0.28 0.00 0.00 0.00 0.00 60.65 60.58 2f12 s ILE 191 Cb -0.54 -2.70 -0.07 0.00 0.01 0.00 0.00 42.46 39.16 2f12 s ILE 191 CO 0.61 0.47 0.89 -2.16 0.00 0.00 0.00 174.94 174.75 2f12 s PRO 192 N 0.58 4.68 -0.03 2.79 0.04 -1.26 -0.97 135.00 140.83 2f12 s PRO 192 Ca -0.02 1.33 0.01 0.00 0.04 0.00 0.00 61.00 62.36 2f12 s PRO 192 Cb -0.14 -3.33 0.02 0.00 0.04 0.00 0.00 34.50 31.09 2f12 s PRO 192 CO 0.02 0.36 -0.01 -1.12 0.04 0.00 0.00 177.00 176.30 2f12 s SER 193 N -0.50 0.54 0.67 6.66 0.01 -0.64 0.18 113.70 120.62 2f12 s SER 193 Ca 0.42 -0.05 -0.12 0.00 1.31 0.00 0.00 55.95 57.51 2f12 s SER 193 Cb -0.23 -0.27 -0.01 0.00 0.21 0.00 0.00 66.02 65.72 2f12 s SER 193 CO 0.28 -0.08 1.06 0.00 0.41 0.00 0.00 173.24 174.91 2f12 s ALA 194 N 0.95 2.72 0.12 1.44 0.00 -1.08 -1.65 121.76 124.26 2f12 s ALA 194 Ca -0.10 0.14 -0.25 0.00 0.00 0.00 0.00 51.96 51.75 2f12 s ALA 194 Cb -0.14 -3.18 0.08 0.00 0.00 0.00 0.00 23.12 19.89 2f12 s ALA 194 CO -0.01 -1.09 1.09 -0.59 0.00 0.00 0.00 175.76 175.15 2f12 s PHE 195 N -2.92 0.00 -0.01 0.00 -0.12 0.41 -1.12 117.98 114.22 2f12 s PHE 195 Ca 0.59 -0.30 0.04 0.00 -0.05 0.00 0.00 56.93 57.21 2f12 s PHE 195 Cb -0.14 0.65 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 2f12 s PHE 195 CO 0.51 -0.72 -0.15 0.00 -0.05 0.00 0.00 175.22 174.81 2f12 s PHE 197 N -0.33 3.76 0.01 0.00 0.08 0.16 -0.37 117.98 121.28 2f12 s PHE 197 Ca 0.05 1.27 0.07 0.00 0.12 0.00 0.00 56.93 58.44 2f12 s PHE 197 Cb -0.06 -2.57 -0.02 0.00 -0.57 0.00 0.00 43.02 39.80 2f12 s PHE 197 CO -0.01 0.47 -0.22 -0.51 -0.10 0.00 0.00 175.22 174.85 2f12 s LEU 198 N -0.68 2.09 -0.03 -0.37 1.02 0.15 -1.16 118.68 119.70 2f12 s LEU 198 Ca 0.31 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 54.00 2f12 s LEU 198 Cb -0.19 -1.11 0.03 0.00 0.02 0.00 0.00 46.19 44.93 2f12 s LEU 198 CO 0.19 0.24 0.01 -0.55 0.02 0.00 0.00 176.35 176.26 2f12 s SER 199 N -0.77 0.50 0.00 2.29 0.15 -0.69 -0.01 113.70 115.17 2f12 s SER 199 Ca 0.09 -0.01 0.15 0.00 0.70 0.00 0.00 55.95 56.87 2f12 s SER 199 Cb -0.09 -0.21 0.06 0.00 -1.71 0.00 0.00 66.02 64.08 2f12 s SER 199 CO 0.00 -0.12 0.89 1.41 1.20 0.00 0.00 173.24 176.62 2f12 n HIS 200 N 4.29 0.00 -2.13 3.44 8.25 -1.26 -0.31 115.22 127.50 2f12 n HIS 200 Ca -0.24 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 56.97 2f12 n HIS 200 Cb 0.50 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.63 2f12 n HIS 200 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2f12 n ASP 201 N 0.37 4.89 -3.72 0.41 5.68 -1.26 -4.78 116.55 118.15 2f12 n ASP 201 Ca 0.08 -3.74 -0.24 0.00 -0.50 0.00 0.00 54.79 50.38 2f12 n ASP 201 Cb 0.35 -0.38 0.05 0.00 -1.14 0.00 0.00 41.12 40.00 2f12 n ASP 201 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 2f12 n HIS 202 N -0.65 -2.23 -0.92 2.11 8.25 -1.26 -2.21 115.22 118.31 2f12 n HIS 202 Ca 0.43 0.90 0.00 0.00 -0.26 0.00 0.00 57.72 58.79 2f12 n HIS 202 Cb 0.89 -4.46 0.00 0.00 1.12 0.00 0.00 29.99 27.54 2f12 n HIS 202 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2f12 n GLY 203 N -1.62 0.66 0.23 -1.41 0.00 -1.26 -4.94 105.19 96.85 2f12 n GLY 203 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 2f12 n GLY 203 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2f12 h ARG 204 N 1.81 -0.47 -5.76 1.61 9.65 -1.86 -3.46 114.38 115.89 2f12 h ARG 204 Ca 0.00 0.03 -0.49 0.00 -1.10 0.00 0.00 59.98 58.42 2f12 h ARG 204 Cb 0.00 0.11 -0.17 0.00 -1.39 0.00 0.00 29.97 28.52 2f12 h ARG 204 CO 0.00 -0.16 -0.77 0.95 2.80 0.00 0.00 179.97 182.79 2f12 s THR 205 N -4.03 1.72 0.11 0.20 -4.23 -1.26 -5.10 115.64 103.04 2f12 s THR 205 Ca -0.12 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 58.51 2f12 s THR 205 Cb 0.01 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 2f12 s THR 205 CO 0.43 -0.39 -0.16 0.26 -0.54 0.00 0.00 174.62 174.21 2f12 s TRP 206 N -2.26 1.52 0.05 3.99 0.52 -1.26 -4.44 118.94 117.07 2f12 s TRP 206 Ca 0.16 -0.48 0.04 0.00 0.02 0.00 0.00 56.10 55.84 2f12 s TRP 206 Cb -0.05 -0.81 -0.03 0.00 -1.15 0.00 0.00 33.47 31.44 2f12 s TRP 206 CO 0.06 0.17 -0.13 0.00 0.02 0.00 0.00 176.95 177.07 2f12 s ALA 207 N -1.67 1.03 -0.25 0.98 0.00 0.98 -4.48 121.76 118.36 2f12 s ALA 207 Ca 0.07 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 2f12 s ALA 207 Cb -0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 2f12 s ALA 207 CO 0.04 0.14 0.39 0.50 0.00 0.00 0.00 175.76 176.83 2f12 s ARG 208 N -1.49 4.07 0.88 0.00 3.52 -1.23 0.33 118.95 125.03 2f12 s ARG 208 Ca -0.03 0.11 -0.12 0.00 -0.13 0.00 0.00 55.73 55.56 2f12 s ARG 208 Cb -0.09 -3.62 0.12 0.00 -1.56 0.00 0.00 34.95 29.80 2f12 s ARG 208 CO 0.02 -0.20 1.14 0.20 -0.81 0.00 0.00 175.30 175.64 2f12 s GLY 209 N 1.43 1.58 0.43 8.12 0.00 0.50 -4.96 107.32 114.43 2f12 s GLY 209 Ca 0.17 -0.51 -0.22 0.00 0.00 0.00 0.00 44.72 44.16 2f12 s GLY 209 CO 0.09 0.03 0.99 0.30 0.00 0.00 0.00 173.10 174.50 2f12 s HIS 210 N -3.31 3.26 0.66 1.90 0.09 0.08 -4.62 115.29 113.35 2f12 s HIS 210 Ca 0.63 1.63 -0.16 0.00 -0.00 0.00 0.00 55.06 57.16 2f12 s HIS 210 Cb -0.14 -2.95 0.00 0.00 -0.00 0.00 0.00 32.58 29.49 2f12 s HIS 210 CO 0.53 -0.33 1.14 -0.06 -0.00 0.00 0.00 174.74 176.02 2f12 s PHE 211 N -2.00 2.46 0.32 1.40 0.08 -1.26 -4.62 117.98 114.37 2f12 s PHE 211 Ca 0.62 1.56 0.02 0.00 0.12 0.00 0.00 56.93 59.24 2f12 s PHE 211 Cb -0.14 -3.28 0.06 0.00 -0.57 0.00 0.00 43.02 39.09 2f12 s PHE 211 CO 0.18 -1.94 0.44 1.33 -0.10 0.00 0.00 175.22 175.12 2f12 n VAL 212 N -2.33 0.00 -1.13 -0.44 0.24 -0.27 -4.74 118.33 109.67 2f12 n VAL 212 Ca 0.11 -0.80 -0.35 0.00 -2.04 0.00 0.00 64.34 61.26 2f12 n VAL 212 Cb 0.51 -1.01 0.08 0.00 -1.47 0.00 0.00 33.84 31.95 2f12 n VAL 212 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2f12 n ALA 213 N -2.86 -2.07 -0.89 2.33 0.00 -1.26 -4.63 120.51 111.13 2f12 n ALA 213 Ca -0.07 -0.35 -0.30 0.00 0.00 0.00 0.00 53.44 52.72 2f12 n ALA 213 Cb 0.28 -1.78 0.17 0.00 0.00 0.00 0.00 19.45 18.12 2f12 n ALA 213 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2f12 s GLN 214 N -2.88 0.71 -1.04 0.00 -0.21 -1.26 -4.12 119.66 110.87 2f12 s GLN 214 Ca 0.62 1.07 -0.01 0.00 0.02 0.00 0.00 55.36 57.05 2f12 s GLN 214 Cb -0.31 -1.73 0.00 0.00 1.00 0.00 0.00 33.01 31.98 2f12 s GLN 214 CO 0.62 -2.69 0.87 -0.25 -2.12 0.00 0.00 175.29 171.72 2f12 n ASP 215 N -4.22 -2.73 -3.90 5.90 8.00 0.13 -4.96 116.55 114.76 2f12 n ASP 215 Ca 0.08 -0.51 -0.19 0.00 0.71 0.00 0.00 54.79 54.88 2f12 n ASP 215 Cb 0.54 -4.38 -0.16 0.00 -0.02 0.00 0.00 41.12 37.10 2f12 n ASP 215 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2f12 s THR 216 N -3.30 0.46 0.00 -3.53 -4.23 -0.15 -3.96 115.64 100.92 2f12 s THR 216 Ca 0.09 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 2f12 s THR 216 Cb -0.04 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.33 2f12 s THR 216 CO 0.61 0.19 0.00 0.18 -0.54 0.00 0.00 174.62 175.06 2f12 n LEU 217 N 3.79 0.00 -4.51 4.79 4.32 0.10 -2.49 117.00 123.00 2f12 n LEU 217 Ca -0.23 0.00 -0.58 0.00 -0.02 0.00 0.00 56.01 55.18 2f12 n LEU 217 Cb 0.52 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.25 2f12 n LEU 217 CO 0.24 0.00 0.59 -0.62 -1.22 0.00 0.00 177.39 176.38 2f12 n GLU 218 N 0.00 0.15 -4.15 3.23 1.02 -1.26 -4.33 120.64 115.30 2f12 n GLU 218 Ca 0.00 0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 57.06 2f12 n GLU 218 Cb 0.00 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 29.79 2f12 n GLU 218 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2f12 s GLN 220 N -3.75 0.61 0.15 0.00 -0.21 -1.05 -4.51 119.66 110.89 2f12 s GLN 220 Ca 0.34 -0.73 0.07 0.00 0.02 0.00 0.00 55.36 55.07 2f12 s GLN 220 Cb 0.03 0.24 -0.04 0.00 1.00 0.00 0.00 33.01 34.24 2f12 s GLN 220 CO 0.16 -0.16 -0.17 0.14 -2.12 0.00 0.00 175.29 173.15 2f12 s VAL 221 N -2.59 1.64 0.05 1.09 -7.23 -1.26 -1.73 120.40 110.37 2f12 s VAL 221 Ca -0.05 -1.86 -0.04 0.00 -1.81 0.00 0.00 61.98 58.22 2f12 s VAL 221 Cb -0.01 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 35.17 2f12 s VAL 221 CO -0.04 -0.36 0.07 0.00 -0.31 0.00 0.00 175.10 174.45 2f12 s ALA 222 N -2.12 0.09 -0.12 1.32 0.00 -0.68 -4.74 121.76 115.51 2f12 s ALA 222 Ca 0.14 -0.77 -0.03 0.00 0.00 0.00 0.00 51.96 51.30 2f12 s ALA 222 Cb -0.05 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 2f12 s ALA 222 CO 0.05 -0.36 -0.02 -2.00 0.00 0.00 0.00 175.76 173.43 2f12 s GLU 223 N -3.20 3.30 -0.10 0.00 2.12 -1.26 -1.07 118.70 118.49 2f12 s GLU 223 Ca 0.00 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 54.91 2f12 s GLU 223 Cb 0.02 -2.85 -0.00 0.00 0.26 0.00 0.00 34.13 31.56 2f12 s GLU 223 CO -0.07 0.48 -0.24 0.08 -0.54 0.00 0.00 175.26 174.97 2f12 s VAL 224 N -0.29 2.08 0.00 3.70 1.01 -0.09 -4.78 120.40 122.04 2f12 s VAL 224 Ca 0.06 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.02 2f12 s VAL 224 Cb -0.12 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.47 2f12 s VAL 224 CO 0.02 0.56 0.00 -1.84 0.00 0.00 0.00 175.10 173.84 2f12 n GLU 225 N 3.50 0.00 0.00 2.72 0.28 -1.26 -2.36 120.64 123.52 2f12 n GLU 225 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.81 2f12 n GLU 225 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 2f12 n GLU 225 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2f12 n GLN 229 N 0.00 0.00 -3.42 3.44 1.13 -1.26 -4.61 117.38 112.66 2f12 n GLN 229 Ca 0.00 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.67 2f12 n GLN 229 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.26 2f12 n GLN 229 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 2f12 s ARG 230 N -3.50 4.01 -0.02 -1.09 3.52 -1.26 -5.07 118.95 115.54 2f12 s ARG 230 Ca 0.00 -0.00 0.02 0.00 -0.13 0.00 0.00 55.73 55.62 2f12 s ARG 230 Cb 0.00 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 2f12 s ARG 230 CO 0.00 -0.26 -0.08 0.14 -0.81 0.00 0.00 175.30 174.29 2f12 s VAL 231 N 2.02 0.66 -0.26 7.11 -7.23 -0.99 -4.59 120.40 117.12 2f12 s VAL 231 Ca 0.14 -0.31 -0.09 0.00 -1.81 0.00 0.00 61.98 59.91 2f12 s VAL 231 Cb -0.16 -0.59 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 2f12 s VAL 231 CO 0.10 0.21 0.14 -0.69 -0.31 0.00 0.00 175.10 174.55 2f12 s VAL 232 N 0.12 4.91 -0.09 1.32 1.01 0.03 -0.91 120.40 126.78 2f12 s VAL 232 Ca -0.02 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 2f12 s VAL 232 Cb -0.07 -3.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 2f12 s VAL 232 CO 0.00 0.29 0.25 0.28 0.00 0.00 0.00 175.10 175.92 2f12 s THR 233 N 1.65 5.32 -0.10 3.92 -1.32 -0.23 -1.04 115.64 123.83 2f12 s THR 233 Ca 0.07 0.47 0.04 0.00 -1.21 0.00 0.00 61.69 61.05 2f12 s THR 233 Cb -0.15 -3.54 0.00 0.00 -1.51 0.00 0.00 72.50 67.30 2f12 s THR 233 CO 0.08 0.56 -0.23 -0.22 -2.21 0.00 0.00 174.62 172.60 2f12 s LEU 234 N -0.72 2.06 -0.22 9.08 1.98 0.84 -1.69 118.68 130.01 2f12 s LEU 234 Ca 0.18 -0.55 0.01 0.00 -2.89 0.00 0.00 54.13 50.87 2f12 s LEU 234 Cb -0.14 -1.38 0.03 0.00 0.66 0.00 0.00 46.19 45.37 2f12 s LEU 234 CO 0.07 0.14 -0.13 0.21 -1.89 0.00 0.00 176.35 174.75 2f12 s ASN 235 N 0.41 3.82 0.08 3.68 3.84 -0.70 -1.01 114.94 125.06 2f12 s ASN 235 Ca -0.17 -0.88 0.09 0.00 0.21 0.00 0.00 52.86 52.11 2f12 s ASN 235 Cb -0.18 -1.56 -0.03 0.00 -0.55 0.00 0.00 41.25 38.93 2f12 s ASN 235 CO 0.07 -0.08 -0.24 0.00 -2.79 0.00 0.00 177.10 174.06 2f12 s ALA 236 N 1.26 2.11 0.25 1.71 0.00 0.68 -2.52 121.76 125.26 2f12 s ALA 236 Ca 0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 2f12 s ALA 236 Cb -0.16 -0.38 -0.09 0.00 0.00 0.00 0.00 23.12 22.49 2f12 s ALA 236 CO -0.08 0.48 1.16 0.50 0.00 0.00 0.00 175.76 177.81 2f12 s ARG 237 N -1.61 4.55 0.39 0.00 3.52 -0.53 -1.99 118.95 123.29 2f12 s ARG 237 Ca 0.11 1.88 0.04 0.00 -0.13 0.00 0.00 55.73 57.62 2f12 s ARG 237 Cb -0.10 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 2f12 s ARG 237 CO 0.04 0.06 0.12 -1.54 -0.81 0.00 0.00 175.30 173.16 2f12 s SER 238 N -0.48 2.69 0.00 -2.12 1.04 -1.26 0.01 113.70 113.58 2f12 s SER 238 Ca 0.48 -1.63 0.24 0.00 0.48 0.00 0.00 55.95 55.52 2f12 s SER 238 Cb -0.33 0.43 0.57 0.00 0.10 0.00 0.00 66.02 66.79 2f12 s SER 238 CO 0.41 -0.89 1.47 1.41 0.98 0.00 0.00 173.24 176.62 2f12 n HIS 239 N -0.87 0.16 -2.57 5.02 8.25 -1.25 -4.28 115.22 119.67 2f12 n HIS 239 Ca -0.05 -0.08 -0.06 0.00 -0.26 0.00 0.00 57.72 57.27 2f12 n HIS 239 Cb 0.65 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.79 2f12 n HIS 239 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2f12 n LEU 240 N 0.89 0.00 0.00 2.41 4.77 -1.26 -4.90 117.00 118.91 2f12 n LEU 240 Ca 0.17 -0.57 0.14 0.00 -0.03 0.00 0.00 56.01 55.72 2f12 n LEU 240 Cb 0.49 -0.14 0.69 0.00 -2.33 0.00 0.00 43.42 42.12 2f12 n LEU 240 CO 0.15 -0.60 0.99 0.54 -1.33 0.00 0.00 177.39 177.14 2f12 n ARG 241 N -1.42 0.22 -4.23 3.23 5.12 -1.26 -4.62 116.66 113.70 2f12 n ARG 241 Ca 0.04 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.84 2f12 n ARG 241 Cb 0.15 -1.50 -0.10 0.00 -1.16 0.00 0.00 32.46 29.85 2f12 n ARG 241 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2f12 s ALA 242 N -2.78 1.29 0.66 7.54 0.00 -1.26 -0.78 121.76 126.43 2f12 s ALA 242 Ca 0.21 -1.57 -0.13 0.00 0.00 0.00 0.00 51.96 50.48 2f12 s ALA 242 Cb 0.19 0.54 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 2f12 s ALA 242 CO 0.49 -0.32 1.06 1.03 0.00 0.00 0.00 175.76 178.01 2f12 s ARG 243 N -3.92 3.06 -0.12 0.00 1.81 0.02 -4.56 118.95 115.25 2f12 s ARG 243 Ca 0.23 1.06 -0.01 0.00 -1.72 0.00 0.00 55.73 55.28 2f12 s ARG 243 Cb 0.06 -2.00 -0.03 0.00 -0.45 0.00 0.00 34.95 32.53 2f12 s ARG 243 CO 0.03 -1.01 -0.07 0.08 -0.68 0.00 0.00 175.30 173.65 2f12 s VAL 244 N -2.82 3.63 -0.03 3.52 1.01 -0.84 -0.38 120.40 124.49 2f12 s VAL 244 Ca 0.60 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.15 2f12 s VAL 244 Cb -0.15 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 2f12 s VAL 244 CO 0.48 0.54 -0.17 -1.58 0.00 0.00 0.00 175.10 174.38 2f12 s GLN 245 N -0.09 1.59 0.08 2.72 0.74 -0.35 -0.23 119.66 124.11 2f12 s GLN 245 Ca 0.01 -0.59 0.03 0.00 0.05 0.00 0.00 55.36 54.86 2f12 s GLN 245 Cb -0.13 -1.43 -0.03 0.00 1.10 0.00 0.00 33.01 32.51 2f12 s GLN 245 CO 0.03 0.28 -0.09 0.00 -0.55 0.00 0.00 175.29 174.95 2f12 s ALA 246 N -0.10 0.92 0.05 1.58 0.00 -0.18 -1.56 121.76 122.47 2f12 s ALA 246 Ca -0.00 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 50.98 2f12 s ALA 246 Cb -0.10 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 2f12 s ALA 246 CO 0.01 -0.04 -0.21 -0.65 0.00 0.00 0.00 175.76 174.87 2f12 s GLN 247 N -2.42 1.36 -0.04 0.00 -0.21 -1.00 -0.11 119.66 117.23 2f12 s GLN 247 Ca 0.00 -0.98 0.03 0.00 0.02 0.00 0.00 55.36 54.44 2f12 s GLN 247 Cb -0.05 -1.50 0.00 0.00 1.00 0.00 0.00 33.01 32.46 2f12 s GLN 247 CO -0.00 0.38 -0.13 0.45 -2.12 0.00 0.00 175.29 173.86 2f12 s SER 248 N -1.29 1.75 0.00 5.90 0.15 -0.21 -3.07 113.70 116.93 2f12 s SER 248 Ca 0.07 -0.28 0.14 0.00 0.70 0.00 0.00 55.95 56.58 2f12 s SER 248 Cb -0.09 -0.52 0.20 0.00 -1.71 0.00 0.00 66.02 63.89 2f12 s SER 248 CO 0.02 0.10 1.06 0.35 1.20 0.00 0.00 173.24 175.97 2f12 n THR 249 N 3.29 0.32 -2.48 6.45 -2.24 -1.26 -0.79 114.28 117.57 2f12 n THR 249 Ca -0.19 -0.66 -0.20 0.00 -2.27 0.00 0.00 64.05 60.73 2f12 n THR 249 Cb 0.53 1.03 0.01 0.00 -2.10 0.00 0.00 70.33 69.81 2f12 n THR 249 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2f12 n ASN 250 N 0.76 3.75 -2.52 3.42 2.04 -1.26 -4.93 115.26 116.53 2f12 n ASN 250 Ca 0.10 -3.37 -0.19 0.00 -0.44 0.00 0.00 54.58 50.68 2f12 n ASN 250 Cb 0.38 -0.46 -0.00 0.00 -2.53 0.00 0.00 39.78 37.17 2f12 n ASN 250 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2f12 n ASP 251 N -0.42 -5.47 0.00 0.53 10.43 -1.26 -2.89 116.55 117.47 2f12 n ASP 251 Ca 0.30 -0.02 0.00 0.00 2.57 0.00 0.00 54.79 57.65 2f12 n ASP 251 Cb 0.75 -4.55 0.00 0.00 1.84 0.00 0.00 41.12 39.17 2f12 n ASP 251 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2f12 n GLY 252 N -1.04 0.56 0.07 0.44 0.00 -1.26 -4.95 105.19 99.00 2f12 n GLY 252 Ca -0.20 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 2f12 n GLY 252 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2f12 h LEU 253 N 0.00 0.08 -8.28 0.99 5.85 -1.90 -3.41 115.31 108.64 2f12 h LEU 253 Ca 0.00 -0.16 -0.56 0.00 0.84 0.00 0.00 57.88 58.00 2f12 h LEU 253 Cb 0.00 -0.02 -0.30 0.00 0.37 0.00 0.00 40.66 40.70 2f12 h LEU 253 CO 0.00 0.22 -0.84 -1.81 -0.34 0.00 0.00 178.44 175.67 2f12 s ASP 254 N -5.42 2.17 -0.79 1.25 1.11 -1.26 -0.74 116.67 112.99 2f12 s ASP 254 Ca -0.14 -0.35 0.02 0.00 0.18 0.00 0.00 52.55 52.27 2f12 s ASP 254 Cb 0.05 -0.46 0.21 0.00 1.07 0.00 0.00 42.92 43.80 2f12 s ASP 254 CO 0.68 0.18 0.70 0.49 1.18 0.00 0.00 175.17 178.41 2f12 n PHE 255 N 2.93 3.65 0.00 4.23 3.72 -1.26 -4.31 117.46 126.42 2f12 n PHE 255 Ca -0.17 -4.13 0.00 0.00 -0.05 0.00 0.00 57.45 53.10 2f12 n PHE 255 Cb 0.53 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 2f12 n PHE 255 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2f12 n GLN 256 N 1.84 0.00 -2.29 -1.08 3.00 -1.17 -4.68 117.38 113.00 2f12 n GLN 256 Ca 0.23 0.33 -0.41 0.00 -0.01 0.00 0.00 57.00 57.14 2f12 n GLN 256 Cb 0.37 -1.17 -0.03 0.00 0.00 0.00 0.00 30.24 29.40 2f12 n GLN 256 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2f12 s GLU 257 N -1.69 4.48 -0.22 -1.09 2.02 -1.26 -4.95 118.70 115.99 2f12 s GLU 257 Ca 0.00 2.02 -0.16 0.00 0.02 0.00 0.00 54.97 56.84 2f12 s GLU 257 Cb 0.00 -3.14 0.06 0.00 0.10 0.00 0.00 34.13 31.16 2f12 s GLU 257 CO 0.00 -0.02 0.57 0.45 0.02 0.00 0.00 175.26 176.28 2f12 s SER 258 N -0.55 -0.69 0.16 -0.19 0.15 -1.26 -2.37 113.70 108.94 2f12 s SER 258 Ca 0.48 1.21 -0.21 0.00 0.70 0.00 0.00 55.95 58.12 2f12 s SER 258 Cb -0.36 1.15 0.06 0.00 -1.71 0.00 0.00 66.02 65.16 2f12 s SER 258 CO 0.46 -0.21 0.56 0.00 1.20 0.00 0.00 173.24 175.25 2f12 s GLN 259 N 0.95 1.26 0.28 5.44 -2.07 -0.60 -4.99 119.66 119.93 2f12 s GLN 259 Ca -0.05 -0.56 -0.29 0.00 -1.82 0.00 0.00 55.36 52.63 2f12 s GLN 259 Cb -0.05 0.56 -0.09 0.00 -1.09 0.00 0.00 33.01 32.33 2f12 s GLN 259 CO -0.08 -0.54 1.02 -0.51 -1.32 0.00 0.00 175.29 173.86 2f12 s LEU 260 N -2.78 4.53 -0.58 2.60 1.43 -1.26 -1.22 118.68 121.41 2f12 s LEU 260 Ca 0.02 2.09 -0.02 0.00 -1.03 0.00 0.00 54.13 55.19 2f12 s LEU 260 Cb -0.01 -3.70 0.15 0.00 0.03 0.00 0.00 46.19 42.66 2f12 s LEU 260 CO -0.11 -0.06 0.39 -0.69 0.23 0.00 0.00 176.35 176.11 2f12 s VAL 261 N -1.25 3.56 0.47 -1.59 1.01 0.49 -4.92 120.40 118.16 2f12 s VAL 261 Ca 0.45 -2.84 0.23 0.00 0.00 0.00 0.00 61.98 59.81 2f12 s VAL 261 Cb -0.28 -3.35 0.41 0.00 0.00 0.00 0.00 36.38 33.16 2f12 s VAL 261 CO 0.35 -0.84 1.89 0.11 0.00 0.00 0.00 175.10 176.60 2f12 h LYS 262 N 7.15 0.23 0.00 2.72 1.57 -1.95 -0.03 116.57 126.26 2f12 h LYS 262 Ca -0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2f12 h LYS 262 Cb 0.96 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 2f12 h LYS 262 CO 0.71 0.15 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.48 2f12 h LYS 263 N 0.23 0.00 -3.87 3.15 1.63 -1.92 -3.35 116.57 112.44 2f12 h LYS 263 Ca 0.42 0.00 -0.73 0.00 -0.85 0.00 0.00 60.65 59.49 2f12 h LYS 263 Cb 1.29 0.00 -0.31 0.00 -0.60 0.00 0.00 32.23 32.61 2f12 h LYS 263 CO -0.10 0.04 -0.24 -0.51 -3.45 0.00 0.00 179.45 175.19 2f12 s LEU 264 N -7.28 5.82 0.60 5.20 1.43 -0.03 -4.94 118.68 119.48 2f12 s LEU 264 Ca -0.04 -2.53 -0.18 0.00 -1.03 0.00 0.00 54.13 50.35 2f12 s LEU 264 Cb 0.14 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 2f12 s LEU 264 CO 0.54 -0.52 1.20 0.54 0.23 0.00 0.00 176.35 178.33 2f12 s VAL 265 N 0.43 2.67 -0.15 -1.59 0.11 -1.26 -0.80 120.40 119.81 2f12 s VAL 265 Ca 0.14 0.41 0.01 0.00 -2.93 0.00 0.00 61.98 59.61 2f12 s VAL 265 Cb -0.19 -3.14 0.02 0.00 -1.53 0.00 0.00 36.38 31.54 2f12 s VAL 265 CO -0.04 -0.10 -0.18 -1.61 -3.33 0.00 0.00 175.10 169.83 2f12 s GLU 266 N -3.39 2.72 0.27 1.54 0.41 0.04 -4.70 118.70 115.59 2f12 s GLU 266 Ca 0.76 -0.73 -0.30 0.00 -0.41 0.00 0.00 54.97 54.30 2f12 s GLU 266 Cb -0.29 -2.32 -0.13 0.00 -1.78 0.00 0.00 34.13 29.60 2f12 s GLU 266 CO 0.34 -0.15 1.30 -0.35 -0.49 0.00 0.00 175.26 175.91 2f12 n PRO 267 N 4.46 1.90 -0.06 0.39 -0.04 -1.26 -4.64 135.00 135.74 2f12 n PRO 267 Ca -0.19 0.67 -0.02 0.00 -0.04 0.00 0.00 63.50 63.92 2f12 n PRO 267 Cb 0.51 -2.25 -0.02 0.00 -0.04 0.00 0.00 33.50 31.70 2f12 n PRO 267 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2f12 n PRO 268 N 1.36 -0.07 0.00 0.54 -0.02 -1.25 -2.28 135.00 133.28 2f12 n PRO 268 Ca 0.09 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2f12 n PRO 268 Cb 0.32 -0.56 0.00 0.00 -0.02 0.00 0.00 33.50 33.25 2f12 n PRO 268 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2f12 n PRO 269 N -3.34 0.00 -0.26 0.52 -0.02 -1.26 -4.44 135.00 126.20 2f12 n PRO 269 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 2f12 n PRO 269 Cb 0.04 0.00 0.18 0.00 -0.02 0.00 0.00 33.50 33.70 2f12 n PRO 269 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2f12 n GLN 270 N 0.00 2.76 0.00 -0.52 1.13 -1.26 -5.00 117.38 114.49 2f12 n GLN 270 Ca 0.00 -2.37 0.00 0.00 -1.94 0.00 0.00 57.00 52.69 2f12 n GLN 270 Cb 0.00 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.85 2f12 n GLN 270 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2f12 n GLY 271 N -0.20 -2.21 3.14 1.08 0.00 -0.96 -4.61 105.19 101.43 2f12 n GLY 271 Ca 0.15 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 2f12 n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f12 s GLN 273 N -1.88 3.46 0.22 0.00 -0.44 -1.26 -4.76 119.66 115.00 2f12 s GLN 273 Ca -0.11 1.63 -0.00 0.00 -2.50 0.00 0.00 55.36 54.38 2f12 s GLN 273 Cb -0.05 -2.09 -0.04 0.00 -1.64 0.00 0.00 33.01 29.19 2f12 s GLN 273 CO -0.00 -0.76 0.11 0.20 0.50 0.00 0.00 175.29 175.33 2f12 s GLY 274 N -1.70 1.54 0.13 2.59 0.00 -1.26 -4.43 107.32 104.19 2f12 s GLY 274 Ca 0.71 -1.76 0.09 0.00 0.00 0.00 0.00 44.72 43.76 2f12 s GLY 274 CO 0.28 -1.48 -0.21 -0.45 0.00 0.00 0.00 173.10 171.24 2f12 s SER 275 N -3.22 2.75 -0.09 1.64 0.15 -0.67 -4.73 113.70 109.53 2f12 s SER 275 Ca 0.38 -0.76 -0.10 0.00 0.70 0.00 0.00 55.95 56.17 2f12 s SER 275 Cb 0.07 -0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.24 2f12 s SER 275 CO 0.12 0.05 0.26 0.54 1.20 0.00 0.00 173.24 175.42 2f12 s VAL 276 N -1.44 0.01 0.15 4.45 0.11 -1.26 -1.48 120.40 120.94 2f12 s VAL 276 Ca 0.11 -0.09 -0.05 0.00 -2.93 0.00 0.00 61.98 59.02 2f12 s VAL 276 Cb -0.09 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 2f12 s VAL 276 CO 0.06 -0.05 0.18 0.27 -3.33 0.00 0.00 175.10 172.22 2f12 s ILE 277 N -0.09 0.08 0.21 7.04 -4.36 -0.39 -4.70 121.20 119.00 2f12 s ILE 277 Ca -0.02 -1.65 0.10 0.00 -0.26 0.00 0.00 60.65 58.82 2f12 s ILE 277 Cb -0.03 -1.97 -0.04 0.00 1.25 0.00 0.00 42.46 41.67 2f12 s ILE 277 CO 0.01 -0.36 -0.13 -0.94 0.24 0.00 0.00 174.94 173.76 2f12 s SER 278 N -3.01 4.01 0.09 4.36 1.04 -1.26 -1.25 113.70 117.67 2f12 s SER 278 Ca 0.21 -0.72 -0.19 0.00 0.48 0.00 0.00 55.95 55.73 2f12 s SER 278 Cb 0.05 -0.57 0.04 0.00 0.10 0.00 0.00 66.02 65.65 2f12 s SER 278 CO 0.02 0.08 0.47 0.72 0.98 0.00 0.00 173.24 175.50 2f12 s PHE 279 N -1.92 -0.33 -0.01 5.02 -0.12 -0.19 -4.82 117.98 115.61 2f12 s PHE 279 Ca 0.26 0.20 -0.36 0.00 -0.05 0.00 0.00 56.93 56.98 2f12 s PHE 279 Cb -0.08 0.31 -0.14 0.00 -0.63 0.00 0.00 43.02 42.48 2f12 s PHE 279 CO 0.15 -0.67 1.65 -2.30 -0.05 0.00 0.00 175.22 174.00 2f12 n PRO 280 N 0.12 1.77 -2.35 1.99 -0.02 -1.26 -1.11 135.00 134.14 2f12 n PRO 280 Ca -0.17 0.64 -0.40 0.00 -2.02 0.00 0.00 63.50 61.55 2f12 n PRO 280 Cb 0.62 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 2f12 n PRO 280 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2f12 s SER 281 N 2.26 6.98 0.42 2.55 1.04 -0.48 -4.74 113.70 121.74 2f12 s SER 281 Ca 0.88 2.39 0.09 0.00 0.48 0.00 0.00 55.95 59.78 2f12 s SER 281 Cb -0.81 -2.63 0.93 0.00 0.10 0.00 0.00 66.02 63.60 2f12 s SER 281 CO 0.49 -0.35 2.06 -0.65 0.98 0.00 0.00 173.24 175.76 2f12 h PRO 282 N 3.44 0.47 0.00 4.02 0.11 -1.94 -3.48 132.00 134.62 2f12 h PRO 282 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2f12 h PRO 282 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2f12 h PRO 282 CO 0.66 0.31 0.00 0.54 -0.21 0.00 0.00 178.00 179.29 2f12 n ARG 283 N -4.48 0.00 -0.05 1.05 5.12 -1.26 -5.19 116.66 111.84 2f12 n ARG 283 Ca 0.03 0.17 -0.13 0.00 -1.93 0.00 0.00 57.85 55.99 2f12 n ARG 283 Cb 0.11 -1.06 -0.14 0.00 -1.16 0.00 0.00 32.46 30.20 2f12 n ARG 283 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2f12 n ALA 290 N -0.80 1.36 -2.51 7.54 0.00 -1.26 -5.18 120.51 119.66 2f12 n ALA 290 Ca 0.00 -0.93 -0.15 0.00 0.00 0.00 0.00 53.44 52.37 2f12 n ALA 290 Cb 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 2f12 n ALA 290 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2f12 s GLN 291 N -2.55 0.83 0.29 0.00 1.11 -1.26 -1.38 119.66 116.70 2f12 s GLN 291 Ca -0.14 -1.13 0.10 0.00 0.01 0.00 0.00 55.36 54.20 2f12 s GLN 291 Cb 0.07 -0.54 -0.06 0.00 -1.01 0.00 0.00 33.01 31.48 2f12 s GLN 291 CO 0.78 0.09 -0.13 -1.58 0.01 0.00 0.00 175.29 174.45 2f12 s TRP 292 N -2.33 2.20 0.14 0.91 0.52 -0.27 -4.66 118.94 115.46 2f12 s TRP 292 Ca 0.04 -0.48 0.07 0.00 0.02 0.00 0.00 56.10 55.76 2f12 s TRP 292 Cb -0.04 -1.12 -0.04 0.00 -1.15 0.00 0.00 33.47 31.12 2f12 s TRP 292 CO 0.00 0.56 -0.04 -0.51 0.02 0.00 0.00 176.95 176.98 2f12 s LEU 293 N -3.51 3.23 -0.01 2.99 1.43 -0.69 -1.02 118.68 121.10 2f12 s LEU 293 Ca 0.30 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 53.06 2f12 s LEU 293 Cb -0.01 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 2f12 s LEU 293 CO 0.14 0.13 -0.10 -0.22 0.23 0.00 0.00 176.35 176.53 2f12 s LEU 294 N -2.61 2.00 -0.02 1.79 2.96 -0.38 -1.75 118.68 120.66 2f12 s LEU 294 Ca 0.25 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 2f12 s LEU 294 Cb -0.10 -0.54 0.00 0.00 0.50 0.00 0.00 46.19 46.05 2f12 s LEU 294 CO 0.17 0.12 0.04 -0.47 -1.32 0.00 0.00 176.35 174.89 2f12 s TYR 295 N -0.21 -0.04 0.01 5.38 5.04 -0.65 -1.26 117.35 125.63 2f12 s TYR 295 Ca 0.03 0.10 0.06 0.00 -2.44 0.00 0.00 57.07 54.82 2f12 s TYR 295 Cb -0.04 0.01 -0.02 0.00 0.35 0.00 0.00 41.96 42.26 2f12 s TYR 295 CO -0.00 -0.03 -0.19 0.95 -1.34 0.00 0.00 175.55 174.93 2f12 s THR 296 N -0.03 1.54 -0.21 4.34 -4.23 -0.55 -0.36 115.64 116.14 2f12 s THR 296 Ca -0.01 -0.96 -0.32 0.00 -1.18 0.00 0.00 61.69 59.22 2f12 s THR 296 Cb -0.01 -1.31 0.15 0.00 1.34 0.00 0.00 72.50 72.68 2f12 s THR 296 CO 0.00 0.32 1.20 -2.28 -0.54 0.00 0.00 174.62 173.32 2f12 s HIS 297 N -0.60 -0.16 0.42 3.99 5.04 -1.02 -1.67 115.29 121.29 2f12 s HIS 297 Ca 0.07 0.21 -0.26 0.00 -1.54 0.00 0.00 55.06 53.54 2f12 s HIS 297 Cb -0.08 0.49 -0.10 0.00 0.04 0.00 0.00 32.58 32.94 2f12 s HIS 297 CO 0.00 -0.19 1.38 -2.30 -2.34 0.00 0.00 174.74 171.29 2f12 n PRO 298 N 0.31 2.22 0.00 2.88 -0.02 -1.26 -1.34 135.00 137.79 2f12 n PRO 298 Ca -0.03 0.79 0.07 0.00 -2.02 0.00 0.00 63.50 62.31 2f12 n PRO 298 Cb 0.58 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 2f12 n PRO 298 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2f12 n THR 299 N -0.02 0.00 -2.17 3.45 -2.24 -0.00 -4.82 114.28 108.48 2f12 n THR 299 Ca 0.05 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 2f12 n THR 299 Cb 0.40 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.70 2f12 n THR 299 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2f12 s HIS 300 N -1.90 3.04 -0.15 4.78 5.04 -0.91 -4.90 115.29 120.29 2f12 s HIS 300 Ca 0.09 0.85 0.30 0.00 -1.54 0.00 0.00 55.06 54.76 2f12 s HIS 300 Cb 0.11 -3.70 1.13 0.00 0.04 0.00 0.00 32.58 30.16 2f12 s HIS 300 CO 0.42 -2.53 1.86 0.66 -2.34 0.00 0.00 174.74 172.81 2f12 h SER 301 N 7.29 0.00 -0.01 9.88 4.64 -1.92 -3.27 113.55 130.16 2f12 h SER 301 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 2f12 h SER 301 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2f12 h SER 301 CO 0.88 0.00 -0.11 0.79 -0.87 0.00 0.00 176.83 177.52 2f12 n TRP 302 N -2.82 0.00 -3.82 4.77 7.02 -1.26 -3.88 117.44 117.45 2f12 n TRP 302 Ca 0.02 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.45 2f12 n TRP 302 Cb 0.32 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.21 2f12 n TRP 302 CO 0.00 0.00 0.00 1.14 -2.02 0.00 0.00 177.69 176.81 2f12 s GLN 303 N -1.02 1.55 -1.19 -0.99 -2.07 -1.23 -4.59 119.66 110.11 2f12 s GLN 303 Ca 0.07 -0.93 -0.18 0.00 -1.82 0.00 0.00 55.36 52.51 2f12 s GLN 303 Cb 0.06 0.48 0.10 0.00 -1.09 0.00 0.00 33.01 32.57 2f12 s GLN 303 CO 0.17 -0.72 1.54 1.03 -1.32 0.00 0.00 175.29 176.00 2f12 s ARG 304 N -2.92 3.92 0.15 9.60 0.52 -1.26 -4.17 118.95 124.78 2f12 s ARG 304 Ca 0.15 -2.00 -0.08 0.00 -0.52 0.00 0.00 55.73 53.28 2f12 s ARG 304 Cb -0.03 -5.31 -0.01 0.00 0.52 0.00 0.00 34.95 30.11 2f12 s ARG 304 CO 0.06 -2.06 0.24 0.00 0.02 0.00 0.00 175.30 173.55 2f12 s ALA 305 N 3.44 0.12 -0.40 2.13 0.00 -1.23 -1.80 121.76 124.02 2f12 s ALA 305 Ca 0.47 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 51.29 2f12 s ALA 305 Cb 0.01 0.82 0.03 0.00 0.00 0.00 0.00 23.12 23.97 2f12 s ALA 305 CO 0.01 -0.61 0.51 -0.25 0.00 0.00 0.00 175.76 175.42 2f12 n ASP 306 N -0.18 -7.27 -4.72 0.00 8.00 0.11 -2.09 116.55 110.40 2f12 n ASP 306 Ca -0.08 0.47 -0.42 0.00 0.71 0.00 0.00 54.79 55.47 2f12 n ASP 306 Cb 0.63 -4.22 -0.03 0.00 -0.02 0.00 0.00 41.12 37.48 2f12 n ASP 306 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2f12 s LEU 307 N -2.35 4.37 0.20 0.64 2.96 -0.34 -0.82 118.68 123.33 2f12 s LEU 307 Ca 0.24 2.79 0.11 0.00 -0.22 0.00 0.00 54.13 57.05 2f12 s LEU 307 Cb -0.05 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 2f12 s LEU 307 CO 0.76 -0.92 -0.21 -0.83 -1.32 0.00 0.00 176.35 173.82 2f12 s GLY 308 N 1.14 1.64 -0.12 7.98 0.00 -0.45 -0.47 107.32 117.04 2f12 s GLY 308 Ca 0.73 -1.64 -0.00 0.00 0.00 0.00 0.00 44.72 43.81 2f12 s GLY 308 CO 0.32 -1.68 -0.11 0.00 0.00 0.00 0.00 173.10 171.63 2f12 s ALA 309 N -1.96 2.72 0.06 3.20 0.00 0.03 -2.42 121.76 123.40 2f12 s ALA 309 Ca 0.21 -0.89 0.10 0.00 0.00 0.00 0.00 51.96 51.38 2f12 s ALA 309 Cb -0.07 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.79 2f12 s ALA 309 CO 0.10 0.32 -0.27 0.71 0.00 0.00 0.00 175.76 176.62 2f12 s TYR 310 N 0.09 2.32 -0.03 0.00 1.51 0.52 -0.89 117.35 120.87 2f12 s TYR 310 Ca -0.04 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.68 2f12 s TYR 310 Cb -0.14 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.33 2f12 s TYR 310 CO 0.04 0.17 -0.23 -1.17 -1.11 0.00 0.00 175.55 173.25 2f12 s LEU 311 N -1.42 2.19 -0.35 -1.29 0.20 -1.26 -1.63 118.68 115.11 2f12 s LEU 311 Ca 0.12 -0.42 0.01 0.00 0.69 0.00 0.00 54.13 54.53 2f12 s LEU 311 Cb -0.10 -1.39 0.11 0.00 -0.43 0.00 0.00 46.19 44.38 2f12 s LEU 311 CO 0.03 0.32 0.12 0.21 -0.29 0.00 0.00 176.35 176.74 2f12 s ASN 312 N -0.57 4.13 0.00 3.68 3.84 -0.72 -1.18 114.94 124.11 2f12 s ASN 312 Ca 0.09 -2.02 0.28 0.00 0.21 0.00 0.00 52.86 51.41 2f12 s ASN 312 Cb -0.11 -1.11 1.48 0.00 -0.55 0.00 0.00 41.25 40.97 2f12 s ASN 312 CO -0.00 -0.37 1.98 -0.81 -2.79 0.00 0.00 177.10 175.11 2f12 n PRO 313 N 4.36 1.22 -2.77 0.43 -0.04 -1.26 -1.71 135.00 135.23 2f12 n PRO 313 Ca 0.02 -0.33 -0.13 0.00 -0.04 0.00 0.00 63.50 63.02 2f12 n PRO 313 Cb 0.40 -1.45 0.01 0.00 -0.04 0.00 0.00 33.50 32.42 2f12 n PRO 313 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2f12 n ARG 314 N -0.57 1.39 -1.93 0.54 1.74 -1.26 -4.92 116.66 111.64 2f12 n ARG 314 Ca 0.21 -3.45 -0.38 0.00 -0.77 0.00 0.00 57.85 53.46 2f12 n ARG 314 Cb 0.18 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.18 2f12 n ARG 314 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2f12 s PRO 315 N -3.02 3.22 -0.01 5.56 0.04 -1.25 -2.22 135.00 137.32 2f12 s PRO 315 Ca 0.33 2.05 0.15 0.00 0.04 0.00 0.00 61.00 63.56 2f12 s PRO 315 Cb 0.42 -2.21 0.44 0.00 0.04 0.00 0.00 34.50 33.19 2f12 s PRO 315 CO -0.01 -1.07 1.36 -0.35 0.04 0.00 0.00 177.00 176.97 2f12 n PRO 316 N -1.05 2.22 -1.28 0.56 -0.04 -1.26 -5.04 135.00 129.11 2f12 n PRO 316 Ca 0.11 -1.79 -0.56 0.00 -0.04 0.00 0.00 63.50 61.21 2f12 n PRO 316 Cb 0.47 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 2f12 n PRO 316 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2f12 n ALA 317 N 0.92 -0.35 -0.35 0.55 0.00 -0.94 -4.81 120.51 115.52 2f12 n ALA 317 Ca 0.17 0.28 0.04 0.00 0.00 0.00 0.00 53.44 53.93 2f12 n ALA 317 Cb 0.44 -1.79 0.22 0.00 0.00 0.00 0.00 19.45 18.32 2f12 n ALA 317 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2f12 h PRO 318 N 6.60 1.04 0.00 0.00 0.11 -2.00 -1.69 132.00 136.07 2f12 h PRO 318 Ca -0.21 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2f12 h PRO 318 Cb 1.24 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2f12 h PRO 318 CO 0.93 0.69 0.00 -0.85 -0.21 0.00 0.00 178.00 178.56 2f12 n GLU 319 N -4.52 0.13 0.00 1.05 0.00 -1.26 -2.89 120.64 113.14 2f12 n GLU 319 Ca 0.16 0.09 0.13 0.00 0.00 0.00 0.00 57.16 57.54 2f12 n GLU 319 Cb 0.24 -1.50 0.49 0.00 0.00 0.00 0.00 31.44 30.67 2f12 n GLU 319 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2f12 n ALA 320 N -1.41 2.85 -1.75 -1.84 0.00 -0.63 -4.85 120.51 112.87 2f12 n ALA 320 Ca 0.08 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 2f12 n ALA 320 Cb 0.23 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.35 2f12 n ALA 320 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2f12 s TRP 321 N -2.87 2.74 0.77 0.00 0.52 -1.14 -4.46 118.94 114.50 2f12 s TRP 321 Ca 0.17 0.72 -0.06 0.00 0.02 0.00 0.00 56.10 56.95 2f12 s TRP 321 Cb 0.19 -4.10 0.12 0.00 -1.15 0.00 0.00 33.47 28.53 2f12 s TRP 321 CO 0.57 -3.74 1.07 -1.54 0.02 0.00 0.00 176.95 173.33 2f12 s SER 322 N 0.57 4.20 0.56 2.95 1.04 -0.33 -5.00 113.70 117.69 2f12 s SER 322 Ca 0.65 0.01 -0.19 0.00 0.48 0.00 0.00 55.95 56.90 2f12 s SER 322 Cb -0.48 -0.40 -0.05 0.00 0.10 0.00 0.00 66.02 65.18 2f12 s SER 322 CO 0.47 -1.98 1.13 -1.61 0.98 0.00 0.00 173.24 172.23 2f12 s GLU 323 N -5.34 3.28 0.46 4.02 0.41 -1.26 -4.67 118.70 115.61 2f12 s GLU 323 Ca 0.66 1.58 -0.21 0.00 -0.41 0.00 0.00 54.97 56.60 2f12 s GLU 323 Cb -0.07 -2.00 -0.10 0.00 -1.78 0.00 0.00 34.13 30.19 2f12 s GLU 323 CO 0.46 -0.90 0.99 -1.25 -0.49 0.00 0.00 175.26 174.07 2f12 s PRO 324 N -3.40 4.04 -0.10 0.39 0.04 -1.26 -4.66 135.00 130.04 2f12 s PRO 324 Ca 0.72 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.97 2f12 s PRO 324 Cb -0.23 -2.14 -0.03 0.00 0.04 0.00 0.00 34.50 32.13 2f12 s PRO 324 CO 0.29 -0.21 -0.04 0.54 0.04 0.00 0.00 177.00 177.62 2f12 s VAL 325 N -2.10 3.95 -0.17 -0.36 0.11 -0.07 -4.88 120.40 116.89 2f12 s VAL 325 Ca 0.64 -0.37 -0.29 0.00 -2.93 0.00 0.00 61.98 59.03 2f12 s VAL 325 Cb -0.12 -2.67 -0.03 0.00 -1.53 0.00 0.00 36.38 32.03 2f12 s VAL 325 CO 0.16 0.57 1.58 -0.22 -3.33 0.00 0.00 175.10 173.85 2f12 s LEU 326 N -0.44 4.04 -0.15 2.54 0.20 -1.26 -0.79 118.68 122.83 2f12 s LEU 326 Ca 0.07 1.79 0.08 0.00 0.69 0.00 0.00 54.13 56.76 2f12 s LEU 326 Cb -0.12 -3.53 -0.23 0.00 -0.43 0.00 0.00 46.19 41.87 2f12 s LEU 326 CO 0.02 -1.10 0.25 0.18 -0.29 0.00 0.00 176.35 175.41 2f12 n LEU 327 N 7.85 1.37 -3.64 -0.68 4.77 0.39 -0.82 117.00 126.24 2f12 n LEU 327 Ca 0.18 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.23 2f12 n LEU 327 Cb 0.45 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 2f12 n LEU 327 CO 0.63 0.62 0.35 0.00 -1.33 0.00 0.00 177.39 177.66 2f12 s ALA 328 N -2.54 -1.90 0.64 -1.18 0.00 -1.13 -4.57 121.76 111.06 2f12 s ALA 328 Ca -0.16 2.42 -0.08 0.00 0.00 0.00 0.00 51.96 54.14 2f12 s ALA 328 Cb 0.07 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.73 2f12 s ALA 328 CO 0.77 -0.43 0.98 0.21 0.00 0.00 0.00 175.76 177.30 2f12 s LYS 329 N 1.74 2.93 0.62 0.00 2.20 -1.26 -1.20 119.74 124.78 2f12 s LYS 329 Ca -0.10 0.22 0.00 0.00 -0.36 0.00 0.00 55.97 55.73 2f12 s LYS 329 Cb -0.06 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 34.10 2f12 s LYS 329 CO -0.20 -0.82 0.00 0.41 -0.36 0.00 0.00 175.35 174.38 2f12 n GLY 330 N -2.76 -1.80 3.66 5.54 0.00 -1.26 -4.73 105.19 103.85 2f12 n GLY 330 Ca 0.05 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 2f12 n GLY 330 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2f12 s SER 331 N -4.00 6.79 -0.02 1.61 0.15 -1.26 0.06 113.70 117.03 2f12 s SER 331 Ca 0.00 2.02 -0.02 0.00 0.70 0.00 0.00 55.95 58.64 2f12 s SER 331 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2f12 s SER 331 CO 0.00 -0.84 0.06 0.00 1.20 0.00 0.00 173.24 173.66 2f12 n ALA 333 N 2.87 0.00 -1.58 0.00 0.00 -0.14 -3.57 120.51 118.09 2f12 n ALA 333 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 2f12 n ALA 333 Cb 0.59 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.08 2f12 n ALA 333 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2f12 n TYR 334 N 0.00 0.51 -3.95 0.00 4.02 -1.26 -4.59 117.16 111.89 2f12 n TYR 334 Ca 0.00 0.46 -0.10 0.00 -0.01 0.00 0.00 57.90 58.25 2f12 n TYR 334 Cb 0.00 -2.11 -0.06 0.00 -0.02 0.00 0.00 39.34 37.15 2f12 n TYR 334 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2f12 s SER 335 N -1.14 -0.04 -0.15 7.72 1.04 -1.26 -1.01 113.70 118.86 2f12 s SER 335 Ca 0.72 -0.85 -0.12 0.00 0.48 0.00 0.00 55.95 56.18 2f12 s SER 335 Cb -0.45 0.50 0.05 0.00 0.10 0.00 0.00 66.02 66.22 2f12 s SER 335 CO 0.51 -0.99 0.40 -0.62 0.98 0.00 0.00 173.24 173.51 2f12 s ASP 336 N -2.98 -0.44 0.23 7.02 3.68 -0.25 -4.28 116.67 119.64 2f12 s ASP 336 Ca 0.19 0.82 0.09 0.00 2.13 0.00 0.00 52.55 55.78 2f12 s ASP 336 Cb 0.02 0.79 -0.04 0.00 -1.45 0.00 0.00 42.92 42.23 2f12 s ASP 336 CO 0.03 -0.16 -0.04 -0.76 0.13 0.00 0.00 175.17 174.38 2f12 s LEU 337 N 0.61 3.12 -0.12 -1.34 1.43 -1.26 -1.64 118.68 119.48 2f12 s LEU 337 Ca -0.03 -0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 52.38 2f12 s LEU 337 Cb -0.05 -1.71 0.04 0.00 0.03 0.00 0.00 46.19 44.51 2f12 s LEU 337 CO -0.04 0.04 0.31 -1.10 0.23 0.00 0.00 176.35 175.79 2f12 s GLN 338 N -3.34 0.31 -0.07 1.70 -1.52 -0.65 -4.85 119.66 111.25 2f12 s GLN 338 Ca 0.29 0.55 -0.28 0.00 -1.95 0.00 0.00 55.36 53.97 2f12 s GLN 338 Cb -0.07 0.01 -0.02 0.00 -0.22 0.00 0.00 33.01 32.70 2f12 s GLN 338 CO 0.18 -0.12 0.93 0.45 -0.25 0.00 0.00 175.29 176.49 2f12 s SER 339 N 0.89 7.22 -0.21 5.90 0.15 -1.26 -1.47 113.70 124.92 2f12 s SER 339 Ca -0.06 1.49 0.15 0.00 0.70 0.00 0.00 55.95 58.23 2f12 s SER 339 Cb -0.07 -2.53 0.56 0.00 -1.71 0.00 0.00 66.02 62.27 2f12 s SER 339 CO -0.06 -0.32 1.47 0.23 1.20 0.00 0.00 173.24 175.76 2f12 n MET 340 N 4.42 2.89 0.00 5.44 0.00 -0.05 -4.88 117.12 124.95 2f12 n MET 340 Ca 0.06 -2.93 0.00 0.00 0.00 0.00 0.00 57.70 54.83 2f12 n MET 340 Cb 0.50 -1.89 0.00 0.00 0.00 0.00 0.00 33.22 31.83 2f12 n MET 340 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2f12 n GLY 341 N -0.54 -0.82 3.72 3.03 0.00 -1.25 -4.78 105.19 104.55 2f12 n GLY 341 Ca 0.25 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 2f12 n GLY 341 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f12 s THR 342 N 0.00 3.96 0.71 2.61 2.01 -1.26 0.15 115.64 123.81 2f12 s THR 342 Ca 0.00 1.51 -0.03 0.00 0.31 0.00 0.00 61.69 63.49 2f12 s THR 342 Cb 0.00 -3.97 0.10 0.00 0.01 0.00 0.00 72.50 68.64 2f12 s THR 342 CO 0.00 0.18 0.98 -0.83 -0.69 0.00 0.00 174.62 174.26 2f12 s GLY 343 N 0.60 1.76 0.42 4.40 0.00 0.13 -4.69 107.32 109.94 2f12 s GLY 343 Ca 0.55 -1.45 0.15 0.00 0.00 0.00 0.00 44.72 43.97 2f12 s GLY 343 CO 0.32 -0.95 1.90 -2.55 0.00 0.00 0.00 173.10 171.81 2f12 h PRO 344 N -0.52 0.43 -0.38 2.90 0.11 -1.91 0.04 132.00 132.67 2f12 h PRO 344 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2f12 h PRO 344 Cb 1.28 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2f12 h PRO 344 CO 0.46 0.29 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 2f12 n ASP 345 N -4.49 2.27 0.00 -2.05 5.68 -1.26 -4.91 116.55 111.78 2f12 n ASP 345 Ca 0.16 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.51 2f12 n ASP 345 Cb 0.55 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 2f12 n ASP 345 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2f12 n GLY 346 N 1.20 1.98 3.96 6.12 0.00 0.00 -5.04 105.19 113.41 2f12 n GLY 346 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 2f12 n GLY 346 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2f12 s SER 347 N -2.75 6.02 0.10 1.61 1.04 -1.26 -4.58 113.70 113.88 2f12 s SER 347 Ca 0.00 0.25 -0.36 0.00 0.48 0.00 0.00 55.95 56.32 2f12 s SER 347 Cb 0.00 -1.65 -0.16 0.00 0.10 0.00 0.00 66.02 64.30 2f12 s SER 347 CO 0.00 -0.51 1.38 -2.65 0.98 0.00 0.00 173.24 172.44 2f12 n PRO 348 N -1.89 1.30 -3.73 4.02 -0.02 -1.26 0.18 135.00 133.59 2f12 n PRO 348 Ca -0.01 0.47 -0.37 0.00 -2.02 0.00 0.00 63.50 61.56 2f12 n PRO 348 Cb 0.57 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 2f12 n PRO 348 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2f12 s LEU 349 N 0.55 4.41 0.07 2.45 2.96 0.12 -0.60 118.68 128.63 2f12 s LEU 349 Ca 0.84 0.63 0.06 0.00 -0.22 0.00 0.00 54.13 55.44 2f12 s LEU 349 Cb -0.91 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 2f12 s LEU 349 CO 0.45 0.36 -0.17 -0.36 -1.32 0.00 0.00 176.35 175.31 2f12 s PHE 350 N -0.93 1.48 -0.05 5.38 0.08 0.98 -0.87 117.98 124.05 2f12 s PHE 350 Ca 0.18 -0.40 0.06 0.00 0.12 0.00 0.00 56.93 56.88 2f12 s PHE 350 Cb -0.14 -0.84 -0.01 0.00 -0.57 0.00 0.00 43.02 41.46 2f12 s PHE 350 CO 0.07 0.10 -0.22 0.20 -0.10 0.00 0.00 175.22 175.26 2f12 s GLY 351 N -1.53 1.15 -0.00 4.36 0.00 -0.54 -1.91 107.32 108.85 2f12 s GLY 351 Ca 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.82 2f12 s GLY 351 CO 0.02 -0.59 -0.01 0.00 0.00 0.00 0.00 173.10 172.53 2f12 s LEU 353 N 0.08 1.94 0.02 0.00 2.96 -0.65 0.23 118.68 123.26 2f12 s LEU 353 Ca -0.00 -0.47 -0.14 0.00 -0.22 0.00 0.00 54.13 53.30 2f12 s LEU 353 Cb -0.02 -1.21 0.02 0.00 0.50 0.00 0.00 46.19 45.48 2f12 s LEU 353 CO -0.00 0.12 0.29 -0.72 -1.32 0.00 0.00 176.35 174.72 2f12 s TYR 354 N 0.43 -0.12 0.13 5.38 -0.85 -0.51 -1.09 117.35 120.72 2f12 s TYR 354 Ca -0.17 0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 56.14 2f12 s TYR 354 Cb -0.17 0.08 -0.06 0.00 0.38 0.00 0.00 41.96 42.19 2f12 s TYR 354 CO 0.07 -0.45 0.99 -1.21 -1.52 0.00 0.00 175.55 173.43 2f12 s GLU 355 N -2.07 4.68 0.11 -3.49 2.02 -0.18 -0.22 118.70 119.55 2f12 s GLU 355 Ca -0.08 1.51 -0.02 0.00 0.02 0.00 0.00 54.97 56.40 2f12 s GLU 355 Cb -0.03 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 2f12 s GLU 355 CO -0.00 0.19 0.06 0.00 0.02 0.00 0.00 175.26 175.52 2f12 s ALA 356 N -0.09 0.66 -1.09 5.21 0.00 -0.37 -0.97 121.76 125.11 2f12 s ALA 356 Ca 0.47 -1.32 -0.17 0.00 0.00 0.00 0.00 51.96 50.95 2f12 s ALA 356 Cb -0.25 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 2f12 s ALA 356 CO 0.31 -0.47 0.80 -1.71 0.00 0.00 0.00 175.76 174.70 2f12 n ASN 357 N -0.05 -5.69 -3.73 0.00 5.15 -0.56 -1.65 115.26 108.73 2f12 n ASN 357 Ca -0.08 -0.91 -0.26 0.00 -0.60 0.00 0.00 54.58 52.73 2f12 n ASN 357 Cb 0.63 -3.72 0.05 0.00 -0.53 0.00 0.00 39.78 36.21 2f12 n ASN 357 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2f12 n ASP 358 N -2.71 -4.49 -2.32 1.20 4.64 -1.26 -2.02 116.55 109.60 2f12 n ASP 358 Ca -0.09 -0.69 -0.19 0.00 -1.38 0.00 0.00 54.79 52.43 2f12 n ASP 358 Cb 0.59 -4.40 0.01 0.00 -1.04 0.00 0.00 41.12 36.28 2f12 n ASP 358 CO 0.00 0.00 0.00 -1.22 -0.82 0.00 0.00 177.20 175.16 2f12 n TYR 359 N -4.68 -1.18 0.37 -0.67 4.01 -1.05 -4.89 117.16 109.08 2f12 n TYR 359 Ca -0.05 0.16 0.12 0.00 -0.16 0.00 0.00 57.90 57.96 2f12 n TYR 359 Cb 0.57 -3.81 0.16 0.00 -0.31 0.00 0.00 39.34 35.95 2f12 n TYR 359 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2f12 h GLU 360 N -0.42 0.00 -2.73 -0.72 4.81 -0.69 -3.43 114.58 111.40 2f12 h GLU 360 Ca -0.45 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.87 2f12 h GLU 360 Cb 1.33 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 2f12 h GLU 360 CO 0.52 0.00 0.38 -1.83 -0.73 0.00 0.00 179.01 177.34 2f12 s GLU 361 N -3.22 1.66 -0.14 1.92 -1.05 -1.14 -1.00 118.70 115.72 2f12 s GLU 361 Ca 0.05 -0.99 -0.00 0.00 -0.15 0.00 0.00 54.97 53.88 2f12 s GLU 361 Cb 0.10 0.51 0.03 0.00 -0.44 0.00 0.00 34.13 34.34 2f12 s GLU 361 CO 0.71 -0.77 -0.10 0.42 0.95 0.00 0.00 175.26 176.48 2f12 s ILE 362 N -3.00 1.28 -0.08 1.83 1.01 -0.16 -1.23 121.20 120.86 2f12 s ILE 362 Ca 0.15 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 60.19 2f12 s ILE 362 Cb -0.04 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 2f12 s ILE 362 CO 0.07 0.33 0.18 -0.69 0.00 0.00 0.00 174.94 174.82 2f12 s VAL 363 N 1.59 5.44 -0.20 2.92 1.01 0.69 -1.20 120.40 130.65 2f12 s VAL 363 Ca 0.04 0.16 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 2f12 s VAL 363 Cb -0.14 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2f12 s VAL 363 CO -0.09 0.53 0.12 0.12 0.00 0.00 0.00 175.10 175.78 2f12 s PHE 364 N -1.13 3.37 -0.04 5.22 5.36 0.11 -1.42 117.98 129.46 2f12 s PHE 364 Ca 0.19 0.27 0.04 0.00 -0.96 0.00 0.00 56.93 56.47 2f12 s PHE 364 Cb -0.13 -2.16 -0.00 0.00 -0.34 0.00 0.00 43.02 40.39 2f12 s PHE 364 CO 0.09 0.23 -0.17 -1.17 -1.46 0.00 0.00 175.22 172.74 2f12 s LEU 365 N 0.47 1.91 -0.06 6.12 2.96 0.13 -1.21 118.68 129.01 2f12 s LEU 365 Ca 0.07 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.64 2f12 s LEU 365 Cb -0.12 -0.94 0.02 0.00 0.50 0.00 0.00 46.19 45.66 2f12 s LEU 365 CO -0.01 0.15 -0.04 -0.32 -1.32 0.00 0.00 176.35 174.81 2f12 s MET 366 N 0.02 0.89 0.27 1.98 -2.45 -0.81 0.56 119.30 119.76 2f12 s MET 366 Ca -0.03 -0.08 -0.13 0.00 -1.25 0.00 0.00 55.69 54.20 2f12 s MET 366 Cb -0.11 -0.99 0.00 0.00 1.25 0.00 0.00 34.83 34.98 2f12 s MET 366 CO 0.02 -0.16 0.53 -0.59 1.05 0.00 0.00 175.02 175.87 2f12 s PHE 367 N 1.29 0.34 0.38 4.11 -0.12 -0.80 -0.29 117.98 122.89 2f12 s PHE 367 Ca -0.05 -0.72 0.08 0.00 -0.05 0.00 0.00 56.93 56.19 2f12 s PHE 367 Cb -0.14 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 2f12 s PHE 367 CO -0.02 -1.07 0.19 0.95 -0.05 0.00 0.00 175.22 175.22 2f12 s THR 368 N -3.82 2.68 0.28 -4.49 -4.23 -1.26 -0.02 115.64 104.78 2f12 s THR 368 Ca 0.21 -1.65 -0.00 0.00 -1.18 0.00 0.00 61.69 59.07 2f12 s THR 368 Cb -0.02 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 70.97 2f12 s THR 368 CO 0.10 -0.09 1.80 0.25 -0.54 0.00 0.00 174.62 176.15 2f12 h LEU 369 N 1.43 0.69 -0.91 4.79 5.85 -1.12 -2.06 115.31 123.97 2f12 h LEU 369 Ca -0.43 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.11 2f12 h LEU 369 Cb 1.25 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 2f12 h LEU 369 CO 0.65 0.74 0.39 0.50 -0.34 0.00 0.00 178.44 180.38 2f12 h LYS 370 N 0.69 1.18 -0.26 1.25 3.64 -1.83 0.33 116.57 121.55 2f12 h LYS 370 Ca 0.14 -0.17 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 2f12 h LYS 370 Cb 0.39 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 2f12 h LYS 370 CO 0.01 0.90 -0.14 1.96 -2.27 0.00 0.00 179.45 179.91 2f12 h GLN 371 N 1.17 0.56 0.11 1.90 4.20 -1.79 -2.97 115.11 118.28 2f12 h GLN 371 Ca 0.28 -0.25 -0.20 0.00 0.06 0.00 0.00 58.65 58.54 2f12 h GLN 371 Cb 0.12 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 27.91 2f12 h GLN 371 CO -0.04 0.82 -0.84 0.00 -0.67 0.00 0.00 178.83 178.10 2f12 h ALA 372 N 0.73 -0.04 -2.10 3.87 0.00 -1.20 -3.41 119.26 117.10 2f12 h ALA 372 Ca 0.06 -0.68 -0.57 0.00 0.00 0.00 0.00 54.91 53.72 2f12 h ALA 372 Cb 0.66 0.09 -0.41 0.00 0.00 0.00 0.00 17.79 18.13 2f12 h ALA 372 CO 0.04 0.42 -0.88 1.19 0.00 0.00 0.00 179.25 180.02 2f12 n PHE 373 N -4.09 1.70 -0.05 0.00 3.72 0.11 -4.94 117.46 113.92 2f12 n PHE 373 Ca -0.13 -3.86 0.23 0.00 -0.05 0.00 0.00 57.45 53.64 2f12 n PHE 373 Cb 0.82 -0.45 0.72 0.00 -0.94 0.00 0.00 39.48 39.62 2f12 n PHE 373 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2f12 h PRO 374 N 3.75 0.00 0.00 -1.08 0.13 -1.64 -0.48 132.00 132.68 2f12 h PRO 374 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2f12 h PRO 374 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2f12 h PRO 374 CO 0.64 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.41 2f12 n ALA 375 N -2.60 2.21 -0.02 -0.56 0.00 -1.26 -3.71 120.51 114.56 2f12 n ALA 375 Ca 0.12 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.57 2f12 n ALA 375 Cb 0.74 -1.45 -0.13 0.00 0.00 0.00 0.00 19.45 18.61 2f12 n ALA 375 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2f12 n GLU 376 N -1.87 0.70 0.00 0.00 4.71 -0.20 -5.25 120.64 118.73 2f12 n GLU 376 Ca 0.06 -0.13 0.12 0.00 -0.01 0.00 0.00 57.16 57.20 2f12 n GLU 376 Cb 0.36 -1.41 0.73 0.00 -1.01 0.00 0.00 31.44 30.10 2f12 n GLU 376 CO 0.00 0.00 0.00 0.98 0.09 0.00 0.00 177.13 178.20