#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f12 s VAL 2 N 0.00 3.74 -0.19 1.69 1.01 -1.24 -2.60 120.40 122.80 3f12 s VAL 2 Ca 0.00 1.55 -0.05 0.00 0.00 0.00 0.00 61.98 63.47 3f12 s VAL 2 Cb 0.00 -3.91 0.10 0.00 0.00 0.00 0.00 36.38 32.57 3f12 s VAL 2 CO 0.00 0.21 0.37 -1.10 0.00 0.00 0.00 175.10 174.59 3f12 s GLN 3 N -1.89 0.29 -0.31 2.72 -0.21 -0.90 -4.89 119.66 114.46 3f12 s GLN 3 Ca 0.50 0.84 -0.05 0.00 0.02 0.00 0.00 55.36 56.67 3f12 s GLN 3 Cb -0.26 0.04 0.03 0.00 1.00 0.00 0.00 33.01 33.82 3f12 s GLN 3 CO 0.33 -0.36 0.06 -0.51 -2.12 0.00 0.00 175.29 172.69 3f12 s LEU 4 N 2.55 4.03 -0.10 2.90 1.43 -1.26 -0.81 118.68 127.42 3f12 s LEU 4 Ca 0.02 -1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 52.06 3f12 s LEU 4 Cb -0.13 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3f12 s LEU 4 CO -0.13 -0.27 -0.01 0.68 0.23 0.00 0.00 176.35 176.86 3f12 s VAL 5 N 1.39 4.21 -0.11 -1.59 -7.23 -0.09 -4.10 120.40 112.89 3f12 s VAL 5 Ca -0.01 -0.27 -0.02 0.00 -1.81 0.00 0.00 61.98 59.86 3f12 s VAL 5 Cb -0.19 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 3f12 s VAL 5 CO 0.01 0.57 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.75 3f12 s GLU 6 N -0.54 3.19 0.02 4.82 8.01 -1.26 -0.63 118.70 132.31 3f12 s GLU 6 Ca 0.09 -0.45 -0.03 0.00 0.01 0.00 0.00 54.97 54.59 3f12 s GLU 6 Cb -0.12 -2.82 -0.01 0.00 -4.31 0.00 0.00 34.13 26.87 3f12 s GLU 6 CO 0.02 0.55 0.04 0.45 0.01 0.00 0.00 175.26 176.33 3f12 s SER 7 N -0.46 0.18 0.00 -0.19 0.15 0.01 -4.77 113.70 108.62 3f12 s SER 7 Ca 0.08 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.29 3f12 s SER 7 Cb -0.12 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 3f12 s SER 7 CO 0.02 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.71 3f12 n GLY 8 N 1.36 2.92 3.41 9.45 0.00 -1.26 0.13 105.19 121.20 3f12 n GLY 8 Ca -0.22 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 3f12 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f12 n GLY 9 N 0.00 -1.87 0.00 -0.02 0.00 -1.26 -4.92 105.19 97.11 3f12 n GLY 9 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3f12 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f12 n GLY 10 N 1.95 2.49 3.53 -0.02 0.00 -1.06 -4.77 105.19 107.31 3f12 n GLY 10 Ca 0.11 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 3f12 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f12 s VAL 11 N -2.11 4.61 0.22 1.61 1.01 -1.26 -1.32 120.40 123.15 3f12 s VAL 11 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3f12 s VAL 11 Cb 0.00 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 3f12 s VAL 11 CO 0.00 0.36 0.06 0.54 0.00 0.00 0.00 175.10 176.07 3f12 s VAL 12 N 1.25 0.54 0.31 2.92 0.11 -0.67 -5.01 120.40 119.84 3f12 s VAL 12 Ca 0.05 -1.99 -0.05 0.00 -2.93 0.00 0.00 61.98 57.06 3f12 s VAL 12 Cb -0.14 -2.43 -0.05 0.00 -1.53 0.00 0.00 36.38 32.23 3f12 s VAL 12 CO 0.04 -0.18 0.58 -1.10 -3.33 0.00 0.00 175.10 171.11 3f12 s GLN 13 N -4.00 3.65 0.34 1.54 -0.21 -1.25 -2.07 119.66 117.66 3f12 s GLN 13 Ca 0.33 0.05 -0.28 0.00 0.02 0.00 0.00 55.36 55.48 3f12 s GLN 13 Cb 0.07 -2.61 -0.12 0.00 1.00 0.00 0.00 33.01 31.35 3f12 s GLN 13 CO 0.10 0.18 1.37 -2.30 -2.12 0.00 0.00 175.29 172.51 3f12 n PRO 14 N -1.01 2.31 -0.77 2.91 -0.02 -1.23 -2.35 135.00 134.83 3f12 n PRO 14 Ca -0.01 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 3f12 n PRO 14 Cb 0.54 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 3f12 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3f12 n GLY 15 N 0.81 0.52 1.91 -1.23 0.00 0.43 -4.94 105.19 102.69 3f12 n GLY 15 Ca 0.04 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 3f12 n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f12 n ARG 16 N -2.77 1.14 -4.43 1.61 1.74 -0.99 -4.62 116.66 108.33 3f12 n ARG 16 Ca 0.00 -1.77 -0.23 0.00 -0.77 0.00 0.00 57.85 55.08 3f12 n ARG 16 Cb 0.00 0.26 -0.10 0.00 -1.02 0.00 0.00 32.46 31.59 3f12 n ARG 16 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3f12 s SER 17 N -2.59 3.32 -0.25 0.55 0.01 -1.26 -0.88 113.70 112.60 3f12 s SER 17 Ca 0.12 -1.01 -0.21 0.00 1.31 0.00 0.00 55.95 56.17 3f12 s SER 17 Cb -0.01 -0.25 0.07 0.00 0.21 0.00 0.00 66.02 66.03 3f12 s SER 17 CO 0.08 -0.00 0.66 -0.22 0.41 0.00 0.00 173.24 174.16 3f12 s LEU 18 N -3.37 -0.60 -0.17 2.44 0.20 0.13 -5.00 118.68 112.31 3f12 s LEU 18 Ca 0.27 1.35 -0.05 0.00 0.69 0.00 0.00 54.13 56.40 3f12 s LEU 18 Cb -0.04 2.26 -0.03 0.00 -0.43 0.00 0.00 46.19 47.94 3f12 s LEU 18 CO 0.12 -0.23 -0.01 -0.60 -0.29 0.00 0.00 176.35 175.34 3f12 s ARG 19 N 0.68 3.71 0.32 1.98 3.52 -1.26 -0.13 118.95 127.77 3f12 s ARG 19 Ca -0.03 -0.49 0.07 0.00 -0.13 0.00 0.00 55.73 55.15 3f12 s ARG 19 Cb -0.05 -3.01 -0.02 0.00 -1.56 0.00 0.00 34.95 30.31 3f12 s ARG 19 CO -0.04 0.19 0.37 -0.51 -0.81 0.00 0.00 175.30 174.50 3f12 s LEU 20 N 0.52 3.85 -0.08 -0.88 1.02 -0.77 -4.52 118.68 117.82 3f12 s LEU 20 Ca -0.02 -0.28 -0.09 0.00 0.02 0.00 0.00 54.13 53.76 3f12 s LEU 20 Cb -0.14 -2.53 0.02 0.00 0.02 0.00 0.00 46.19 43.57 3f12 s LEU 20 CO 0.02 -0.33 0.24 -0.44 0.02 0.00 0.00 176.35 175.86 3f12 s SER 21 N -4.06 -0.23 -0.29 2.29 0.01 0.12 -3.55 113.70 108.00 3f12 s SER 21 Ca 0.41 0.41 0.00 0.00 1.31 0.00 0.00 55.95 58.08 3f12 s SER 21 Cb -0.08 0.46 0.09 0.00 0.21 0.00 0.00 66.02 66.70 3f12 s SER 21 CO 0.29 -0.14 0.05 0.00 0.41 0.00 0.00 173.24 173.85 3f12 s ALA 23 N 1.45 3.56 -0.24 0.00 0.00 0.20 -0.98 121.76 125.75 3f12 s ALA 23 Ca 0.06 0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.07 3f12 s ALA 23 Cb -0.18 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.59 3f12 s ALA 23 CO -0.16 -0.78 -0.02 0.00 0.00 0.00 0.00 175.76 174.80 3f12 s ALA 24 N 2.48 2.86 0.46 0.00 0.00 0.22 -0.91 121.76 126.86 3f12 s ALA 24 Ca 0.41 -1.25 0.05 0.00 0.00 0.00 0.00 51.96 51.17 3f12 s ALA 24 Cb -0.16 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 3f12 s ALA 24 CO 0.11 -0.56 0.14 -1.12 0.00 0.00 0.00 175.76 174.33 3f12 s SER 25 N 1.47 4.29 -1.38 0.00 0.01 0.01 -4.85 113.70 113.24 3f12 s SER 25 Ca 0.05 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 56.01 3f12 s SER 25 Cb -0.15 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.01 3f12 s SER 25 CO -0.02 -0.70 0.00 0.61 0.41 0.00 0.00 173.24 173.54 3f12 n GLY 26 N -1.29 -0.04 3.57 3.44 0.00 -1.07 -2.11 105.19 107.69 3f12 n GLY 26 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 3f12 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3f12 s PHE 27 N -2.66 -0.25 -1.40 1.61 -0.71 -1.26 -3.72 117.98 109.60 3f12 s PHE 27 Ca 0.00 0.11 -0.14 0.00 -1.04 0.00 0.00 56.93 55.86 3f12 s PHE 27 Cb 0.00 0.55 0.07 0.00 -1.21 0.00 0.00 43.02 42.43 3f12 s PHE 27 CO 0.00 -0.50 2.06 0.25 -1.34 0.00 0.00 175.22 175.69 3f12 n THR 28 N -0.26 3.70 -0.00 -4.49 -2.24 -1.26 -4.79 114.28 104.94 3f12 n THR 28 Ca -0.06 -3.48 -0.00 0.00 -2.27 0.00 0.00 64.05 58.24 3f12 n THR 28 Cb 0.61 -2.52 -0.00 0.00 -2.10 0.00 0.00 70.33 66.32 3f12 n THR 28 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3f12 n PHE 29 N 6.23 -0.00 0.01 4.78 7.35 -1.26 0.15 117.46 134.71 3f12 n PHE 29 Ca 0.49 0.01 0.10 0.00 -0.76 0.00 0.00 57.45 57.29 3f12 n PHE 29 Cb 0.40 -0.25 0.16 0.00 0.35 0.00 0.00 39.48 40.14 3f12 n PHE 29 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 3f12 n SER 30 N -3.01 0.00 -0.00 -2.13 7.64 -1.26 -1.74 113.62 113.12 3f12 n SER 30 Ca 0.00 0.42 0.08 0.00 1.01 0.00 0.00 58.87 60.37 3f12 n SER 30 Cb 0.00 -0.10 -0.10 0.00 -1.01 0.00 0.00 64.21 63.01 3f12 n SER 30 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3f12 n SER 31 N -2.22 0.91 -4.22 6.43 7.64 0.39 -4.00 113.62 118.55 3f12 n SER 31 Ca 0.09 -0.61 -0.32 0.00 1.01 0.00 0.00 58.87 59.04 3f12 n SER 31 Cb 0.84 1.22 -0.17 0.00 -1.01 0.00 0.00 64.21 65.09 3f12 n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3f12 s TYR 32 N -2.66 2.59 0.90 1.43 1.51 -0.71 -4.83 117.35 115.58 3f12 s TYR 32 Ca 0.02 -1.08 -0.12 0.00 -1.01 0.00 0.00 57.07 54.88 3f12 s TYR 32 Cb 0.11 -1.73 0.07 0.00 -0.11 0.00 0.00 41.96 40.29 3f12 s TYR 32 CO 0.65 -0.44 0.74 0.41 -1.11 0.00 0.00 175.55 175.79 3f12 n GLY 33 N 3.61 -1.23 3.16 0.71 0.00 -1.26 -4.05 105.19 106.13 3f12 n GLY 33 Ca -0.19 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 3f12 n GLY 33 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3f12 s MET 34 N -3.88 0.80 0.49 1.61 -1.94 0.04 1.00 119.30 117.40 3f12 s MET 34 Ca 0.63 -1.11 0.02 0.00 -1.71 0.00 0.00 55.69 53.52 3f12 s MET 34 Cb -0.24 -0.47 -0.01 0.00 2.01 0.00 0.00 34.83 36.11 3f12 s MET 34 CO 0.61 0.07 0.03 -1.01 -0.01 0.00 0.00 175.02 174.71 3f12 s HIS 35 N -2.37 1.85 -0.04 -0.03 3.76 -0.81 -1.71 115.29 115.93 3f12 s HIS 35 Ca 0.04 -1.03 -0.01 0.00 -0.15 0.00 0.00 55.06 53.90 3f12 s HIS 35 Cb -0.03 -1.51 0.03 0.00 1.11 0.00 0.00 32.58 32.17 3f12 s HIS 35 CO -0.00 0.11 0.04 -1.58 -0.85 0.00 0.00 174.74 172.46 3f12 s TRP 36 N -2.95 0.11 0.03 1.40 0.52 -0.79 -0.83 118.94 116.43 3f12 s TRP 36 Ca 0.09 0.17 0.03 0.00 0.02 0.00 0.00 56.10 56.42 3f12 s TRP 36 Cb 0.02 -0.42 -0.02 0.00 -1.15 0.00 0.00 33.47 31.89 3f12 s TRP 36 CO 0.05 -0.16 -0.10 0.08 0.02 0.00 0.00 176.95 176.84 3f12 s VAL 37 N 1.74 0.75 0.28 4.03 1.01 -0.78 -1.30 120.40 126.13 3f12 s VAL 37 Ca -0.00 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.15 3f12 s VAL 37 Cb -0.12 -0.73 -0.06 0.00 0.00 0.00 0.00 36.38 35.47 3f12 s VAL 37 CO -0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 175.10 174.87 3f12 s ARG 38 N -1.14 1.57 -0.14 2.72 1.70 0.37 -1.32 118.95 122.70 3f12 s ARG 38 Ca -0.03 -1.79 -0.04 0.00 -0.47 0.00 0.00 55.73 53.40 3f12 s ARG 38 Cb -0.08 -1.20 0.06 0.00 -0.57 0.00 0.00 34.95 33.16 3f12 s ARG 38 CO 0.01 0.05 0.11 -1.14 -1.08 0.00 0.00 175.30 173.25 3f12 s GLN 39 N -3.72 0.05 0.97 3.89 0.74 -0.32 -0.52 119.66 120.75 3f12 s GLN 39 Ca 0.30 0.11 -0.14 0.00 0.05 0.00 0.00 55.36 55.68 3f12 s GLN 39 Cb 0.03 -1.34 0.17 0.00 1.10 0.00 0.00 33.01 32.98 3f12 s GLN 39 CO 0.12 -0.57 1.15 0.00 -0.55 0.00 0.00 175.29 175.44 3f12 s ALA 40 N 2.19 1.56 0.24 1.58 0.00 -1.18 -1.71 121.76 124.44 3f12 s ALA 40 Ca 0.03 -0.65 -0.17 0.00 0.00 0.00 0.00 51.96 51.17 3f12 s ALA 40 Cb -0.15 -2.99 -0.08 0.00 0.00 0.00 0.00 23.12 19.90 3f12 s ALA 40 CO -0.08 -2.56 0.69 -2.14 0.00 0.00 0.00 175.76 171.67 3f12 s PRO 41 N -5.34 4.12 0.00 0.00 0.02 -1.26 -3.63 135.00 128.91 3f12 s PRO 41 Ca 0.66 0.73 0.00 0.00 0.02 0.00 0.00 61.00 62.41 3f12 s PRO 41 Cb -0.13 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.63 3f12 s PRO 41 CO 0.54 0.34 0.00 0.41 -0.33 0.00 0.00 177.00 177.96 3f12 n GLY 42 N 0.41 0.17 3.38 0.52 0.00 -1.26 -4.90 105.19 103.50 3f12 n GLY 42 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 3f12 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f12 s LYS 43 N -1.10 1.78 0.00 1.61 1.02 -1.24 -5.19 119.74 116.63 3f12 s LYS 43 Ca 0.00 -2.05 0.00 0.00 0.02 0.00 0.00 55.97 53.94 3f12 s LYS 43 Cb 0.00 -0.09 0.00 0.00 -0.52 0.00 0.00 37.83 37.22 3f12 s LYS 43 CO 0.00 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.29 3f12 n GLY 44 N -0.72 -0.10 3.72 -3.33 0.00 -1.26 -4.39 105.19 99.10 3f12 n GLY 44 Ca 0.01 -1.75 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 3f12 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f12 s LEU 45 N 0.00 4.23 0.04 0.99 1.43 -1.26 -3.10 118.68 121.01 3f12 s LEU 45 Ca 0.00 0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.64 3f12 s LEU 45 Cb 0.00 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 3f12 s LEU 45 CO 0.00 0.08 -0.16 -1.83 0.23 0.00 0.00 176.35 174.67 3f12 s GLU 46 N 0.58 1.06 0.00 1.70 -1.05 0.32 -4.96 118.70 116.35 3f12 s GLU 46 Ca 0.16 -0.83 -0.26 0.00 -0.15 0.00 0.00 54.97 53.90 3f12 s GLU 46 Cb -0.13 -1.11 -0.04 0.00 -0.44 0.00 0.00 34.13 32.41 3f12 s GLU 46 CO 0.04 0.28 0.80 -0.46 0.95 0.00 0.00 175.26 176.87 3f12 s TRP 47 N -0.86 3.67 -0.21 4.83 -0.00 -1.26 -0.48 118.94 124.63 3f12 s TRP 47 Ca 0.03 1.47 -0.12 0.00 -0.00 0.00 0.00 56.10 57.48 3f12 s TRP 47 Cb -0.08 -2.89 -0.09 0.00 -0.00 0.00 0.00 33.47 30.41 3f12 s TRP 47 CO 0.02 0.15 -0.29 0.28 -0.00 0.00 0.00 176.95 177.10 3f12 n VAL 48 N 3.36 1.29 -3.49 5.86 0.31 -0.42 -4.46 118.33 120.77 3f12 n VAL 48 Ca 0.00 -0.23 -0.11 0.00 -0.01 0.00 0.00 64.34 63.98 3f12 n VAL 48 Cb 0.51 -1.88 -0.03 0.00 -0.91 0.00 0.00 33.84 31.53 3f12 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3f12 s ALA 49 N -2.48 -1.40 0.01 3.52 0.00 -1.15 0.24 121.76 120.50 3f12 s ALA 49 Ca -0.31 0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.94 3f12 s ALA 49 Cb 0.11 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 3f12 s ALA 49 CO 0.39 -0.74 0.04 0.54 0.00 0.00 0.00 175.76 175.99 3f12 s VAL 50 N -3.77 0.08 -0.11 0.00 0.11 -0.50 -1.89 120.40 114.32 3f12 s VAL 50 Ca 0.02 -0.68 -0.05 0.00 -2.93 0.00 0.00 61.98 58.34 3f12 s VAL 50 Cb -0.00 -0.29 0.05 0.00 -1.53 0.00 0.00 36.38 34.61 3f12 s VAL 50 CO -0.12 -0.37 0.26 -0.51 -3.33 0.00 0.00 175.10 171.03 3f12 s ILE 51 N -1.17 -0.11 0.66 7.04 2.07 -0.70 -2.75 121.20 126.25 3f12 s ILE 51 Ca -0.13 0.17 -0.18 0.00 -1.41 0.00 0.00 60.65 59.10 3f12 s ILE 51 Cb -0.08 -0.40 -0.01 0.00 0.13 0.00 0.00 42.46 42.10 3f12 s ILE 51 CO 0.00 0.07 1.29 -0.94 -1.91 0.00 0.00 174.94 173.45 3f12 s SER 52 N 1.49 4.53 0.00 4.50 1.04 -1.26 -0.78 113.70 123.21 3f12 s SER 52 Ca -0.07 2.63 0.20 0.00 0.48 0.00 0.00 55.95 59.18 3f12 s SER 52 Cb -0.11 -2.62 0.85 0.00 0.10 0.00 0.00 66.02 64.24 3f12 s SER 52 CO -0.09 -2.06 1.59 -1.22 0.98 0.00 0.00 173.24 172.44 3f12 n TYR 53 N -1.98 0.14 1.04 5.02 0.53 -1.26 -2.54 117.16 118.12 3f12 n TYR 53 Ca 0.16 -0.07 0.11 0.00 -1.02 0.00 0.00 57.90 57.08 3f12 n TYR 53 Cb 0.48 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.86 3f12 n TYR 53 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 3f12 n ASP 54 N -0.05 1.21 0.00 7.72 5.68 -1.26 -4.46 116.55 125.39 3f12 n ASP 54 Ca 0.15 -0.99 0.00 0.00 -0.50 0.00 0.00 54.79 53.46 3f12 n ASP 54 Cb 0.24 0.55 0.00 0.00 -1.14 0.00 0.00 41.12 40.77 3f12 n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3f12 n GLY 55 N 1.45 1.71 2.10 6.12 0.00 -1.05 -5.05 105.19 110.47 3f12 n GLY 55 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 3f12 n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3f12 n SER 56 N 0.00 5.61 -4.46 1.61 3.41 -1.26 -4.88 113.62 113.64 3f12 n SER 56 Ca 0.00 -3.76 -0.28 0.00 -0.26 0.00 0.00 58.87 54.57 3f12 n SER 56 Cb 0.00 -0.50 -0.12 0.00 -0.26 0.00 0.00 64.21 63.34 3f12 n SER 56 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3f12 s ASN 57 N -3.17 3.69 -0.30 4.04 -0.87 -1.26 -4.96 114.94 112.11 3f12 s ASN 57 Ca 0.54 -0.69 0.01 0.00 -1.57 0.00 0.00 52.86 51.16 3f12 s ASN 57 Cb 0.43 -0.42 0.19 0.00 -0.02 0.00 0.00 41.25 41.44 3f12 s ASN 57 CO 0.02 0.15 0.64 -0.54 -2.57 0.00 0.00 177.10 174.80 3f12 s LYS 58 N -2.37 0.53 -0.02 -0.60 1.02 -1.26 -4.19 119.74 112.86 3f12 s LYS 58 Ca 0.19 0.72 0.05 0.00 0.02 0.00 0.00 55.97 56.95 3f12 s LYS 58 Cb -0.09 0.37 -0.01 0.00 -0.52 0.00 0.00 37.83 37.58 3f12 s LYS 58 CO 0.10 -0.79 -0.16 0.71 -0.92 0.00 0.00 175.35 174.29 3f12 s TYR 59 N 2.85 1.51 0.14 3.18 1.51 -1.11 -5.01 117.35 120.41 3f12 s TYR 59 Ca 0.15 -0.32 0.05 0.00 -1.01 0.00 0.00 57.07 55.94 3f12 s TYR 59 Cb -0.12 -0.98 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 3f12 s TYR 59 CO -0.23 -0.06 -0.12 0.71 -1.11 0.00 0.00 175.55 174.74 3f12 s TYR 60 N -0.27 1.34 0.79 2.71 2.02 -1.26 -1.40 117.35 121.28 3f12 s TYR 60 Ca 0.04 -0.64 -0.11 0.00 -0.37 0.00 0.00 57.07 55.99 3f12 s TYR 60 Cb -0.08 -0.69 0.07 0.00 -0.40 0.00 0.00 41.96 40.87 3f12 s TYR 60 CO 0.00 0.13 1.09 0.00 -1.57 0.00 0.00 175.55 175.20 3f12 s ALA 61 N -2.68 2.15 -0.15 3.71 0.00 0.14 -4.90 121.76 120.02 3f12 s ALA 61 Ca 0.13 0.25 0.25 0.00 0.00 0.00 0.00 51.96 52.59 3f12 s ALA 61 Cb -0.02 -3.27 0.70 0.00 0.00 0.00 0.00 23.12 20.53 3f12 s ALA 61 CO 0.02 -1.88 1.73 -0.44 0.00 0.00 0.00 175.76 175.20 3f12 h ASP 62 N -1.21 0.00 0.00 0.00 3.32 -1.92 -3.09 116.42 113.52 3f12 h ASP 62 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3f12 h ASP 62 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3f12 h ASP 62 CO 0.51 0.10 0.00 -1.54 -1.72 0.00 0.00 179.24 176.59 3f12 n SER 63 N -3.16 0.00 0.00 6.45 3.41 -1.26 -2.50 113.62 116.56 3f12 n SER 63 Ca 0.02 -1.45 0.00 0.00 -0.26 0.00 0.00 58.87 57.18 3f12 n SER 63 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3f12 n SER 63 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3f12 n VAL 64 N -0.65 0.14 -1.60 -3.33 0.24 -1.17 -5.05 118.33 106.91 3f12 n VAL 64 Ca 0.06 -0.24 -0.57 0.00 -2.04 0.00 0.00 64.34 61.55 3f12 n VAL 64 Cb 0.03 1.31 -0.07 0.00 -1.47 0.00 0.00 33.84 33.64 3f12 n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3f12 n LYS 65 N -0.07 0.67 -0.66 7.34 4.81 -1.04 -1.11 118.16 128.09 3f12 n LYS 65 Ca 0.00 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.68 3f12 n LYS 65 Cb 0.27 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.49 3f12 n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3f12 n GLY 66 N 2.64 0.10 0.05 3.14 0.00 -1.26 -4.70 105.19 105.17 3f12 n GLY 66 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 3f12 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f12 n ARG 67 N -1.39 1.38 -4.17 1.61 1.74 -0.27 -5.03 116.66 110.53 3f12 n ARG 67 Ca 0.00 0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.80 3f12 n ARG 67 Cb 0.11 -1.21 -0.08 0.00 -1.02 0.00 0.00 32.46 30.25 3f12 n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3f12 s PHE 68 N -2.21 2.99 -0.06 -1.55 0.40 -0.68 -1.51 117.98 115.37 3f12 s PHE 68 Ca -0.10 -0.01 -0.02 0.00 -0.60 0.00 0.00 56.93 56.20 3f12 s PHE 68 Cb 0.03 -1.56 0.03 0.00 0.51 0.00 0.00 43.02 42.03 3f12 s PHE 68 CO 0.29 0.47 0.03 0.95 0.70 0.00 0.00 175.22 177.65 3f12 s THR 69 N -1.26 0.18 0.30 0.64 -4.23 -1.06 -4.92 115.64 105.29 3f12 s THR 69 Ca 0.24 0.24 -0.27 0.00 -1.18 0.00 0.00 61.69 60.72 3f12 s THR 69 Cb -0.12 -0.38 -0.10 0.00 1.34 0.00 0.00 72.50 73.25 3f12 s THR 69 CO 0.16 0.22 0.95 -0.51 -0.54 0.00 0.00 174.62 174.90 3f12 s ILE 70 N 2.05 4.16 0.07 2.99 2.07 -1.26 -1.22 121.20 130.07 3f12 s ILE 70 Ca 0.05 1.89 -0.03 0.00 -1.41 0.00 0.00 60.65 61.15 3f12 s ILE 70 Cb -0.12 -4.09 -0.03 0.00 0.13 0.00 0.00 42.46 38.35 3f12 s ILE 70 CO -0.04 0.23 0.04 -0.55 -1.91 0.00 0.00 174.94 172.70 3f12 s SER 71 N -1.50 0.38 0.04 4.50 0.15 0.58 -4.93 113.70 112.92 3f12 s SER 71 Ca 0.48 -0.97 -0.13 0.00 0.70 0.00 0.00 55.95 56.03 3f12 s SER 71 Cb -0.21 0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.37 3f12 s SER 71 CO 0.26 -0.66 0.29 0.00 1.20 0.00 0.00 173.24 174.34 3f12 s ARG 72 N -3.93 0.79 -0.39 5.44 1.70 -1.26 0.15 118.95 121.44 3f12 s ARG 72 Ca 0.10 -0.51 0.08 0.00 -0.47 0.00 0.00 55.73 54.93 3f12 s ARG 72 Cb 0.07 0.34 0.25 0.00 -0.57 0.00 0.00 34.95 35.05 3f12 s ARG 72 CO -0.08 -0.25 0.54 -3.47 -1.08 0.00 0.00 175.30 170.96 3f12 n ASP 73 N 0.62 0.07 -0.17 -2.89 -0.08 -1.04 -4.98 116.55 108.07 3f12 n ASP 73 Ca -0.19 -2.73 0.28 0.00 -1.51 0.00 0.00 54.79 50.64 3f12 n ASP 73 Cb 0.59 -0.54 0.53 0.00 2.34 0.00 0.00 41.12 44.04 3f12 n ASP 73 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3f12 h ASN 74 N 3.97 0.00 1.74 1.67 2.35 -1.93 1.89 115.58 125.27 3f12 h ASN 74 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3f12 h ASN 74 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.26 3f12 h ASN 74 CO 0.46 0.00 0.00 0.77 -1.65 0.00 0.00 177.43 177.01 3f12 h SER 75 N 0.00 0.00 -0.07 5.81 4.64 -1.95 -3.31 113.55 118.67 3f12 h SER 75 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3f12 h SER 75 Cb 2.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.65 3f12 h SER 75 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3f12 n LYS 76 N -2.90 2.61 -2.35 4.77 5.02 0.64 -5.01 118.16 120.93 3f12 n LYS 76 Ca 0.04 -1.89 -0.15 0.00 -2.02 0.00 0.00 58.31 54.29 3f12 n LYS 76 Cb 0.47 -1.19 -0.01 0.00 -0.02 0.00 0.00 35.03 34.28 3f12 n LYS 76 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3f12 n ASN 77 N -0.55 -4.46 -4.22 4.39 5.03 -0.94 -4.93 115.26 109.57 3f12 n ASN 77 Ca 0.06 0.15 -0.20 0.00 0.87 0.00 0.00 54.58 55.46 3f12 n ASN 77 Cb 0.39 -3.79 -0.12 0.00 -1.02 0.00 0.00 39.78 35.25 3f12 n ASN 77 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3f12 s THR 78 N -2.71 1.37 0.06 3.41 -4.23 -1.26 -0.61 115.64 111.69 3f12 s THR 78 Ca 0.00 -1.46 0.07 0.00 -1.18 0.00 0.00 61.69 59.12 3f12 s THR 78 Cb 0.00 -1.32 -0.03 0.00 1.34 0.00 0.00 72.50 72.48 3f12 s THR 78 CO 0.00 -0.19 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.50 3f12 s LEU 79 N -1.92 2.68 0.25 4.79 2.96 -0.15 -2.51 118.68 124.79 3f12 s LEU 79 Ca 0.03 -0.45 0.10 0.00 -0.22 0.00 0.00 54.13 53.59 3f12 s LEU 79 Cb -0.09 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 3f12 s LEU 79 CO 0.03 0.23 -0.17 -0.31 -1.32 0.00 0.00 176.35 174.81 3f12 s TYR 80 N -1.00 2.04 -0.28 5.38 1.51 0.40 -0.87 117.35 124.53 3f12 s TYR 80 Ca 0.16 -0.44 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 3f12 s TYR 80 Cb -0.11 -0.92 0.15 0.00 -0.11 0.00 0.00 41.96 40.98 3f12 s TYR 80 CO 0.07 0.56 0.38 -1.17 -1.11 0.00 0.00 175.55 174.28 3f12 s LEU 81 N -3.43 -0.66 -0.71 -1.29 2.96 -1.23 -0.31 118.68 114.01 3f12 s LEU 81 Ca 0.27 -0.35 -0.21 0.00 -0.22 0.00 0.00 54.13 53.61 3f12 s LEU 81 Cb -0.03 1.00 0.09 0.00 0.50 0.00 0.00 46.19 47.75 3f12 s LEU 81 CO 0.12 -0.35 0.96 -1.58 -1.32 0.00 0.00 176.35 174.17 3f12 s GLN 82 N 2.51 3.20 -0.37 1.98 2.00 -0.36 -1.84 119.66 126.79 3f12 s GLN 82 Ca 0.10 -1.11 -0.25 0.00 -2.00 0.00 0.00 55.36 52.10 3f12 s GLN 82 Cb -0.13 -4.38 0.01 0.00 0.80 0.00 0.00 33.01 29.31 3f12 s GLN 82 CO -0.28 -1.77 0.91 -1.64 -0.50 0.00 0.00 175.29 172.01 3f12 s MET 83 N 3.56 3.83 0.32 1.67 -1.94 0.82 -2.55 119.30 125.01 3f12 s MET 83 Ca 0.23 0.54 0.09 0.00 -1.71 0.00 0.00 55.69 54.84 3f12 s MET 83 Cb -0.15 -3.80 -0.05 0.00 2.01 0.00 0.00 34.83 32.83 3f12 s MET 83 CO 0.05 -0.93 0.04 -0.80 -0.01 0.00 0.00 175.02 173.37 3f12 s ASN 84 N 1.87 4.37 -1.24 3.03 0.01 -0.57 0.21 114.94 122.62 3f12 s ASN 84 Ca 0.37 -0.86 -0.34 0.00 -0.71 0.00 0.00 52.86 51.32 3f12 s ASN 84 Cb -0.12 -0.64 0.05 0.00 0.41 0.00 0.00 41.25 40.94 3f12 s ASN 84 CO 0.18 -0.20 0.64 -0.24 -1.51 0.00 0.00 177.10 175.98 3f12 n SER 85 N -0.99 -3.79 -4.72 -1.22 2.88 -0.94 -4.67 113.62 100.17 3f12 n SER 85 Ca -0.04 -1.32 -0.42 0.00 -1.33 0.00 0.00 58.87 55.76 3f12 n SER 85 Cb 0.61 -1.59 -0.03 0.00 -0.75 0.00 0.00 64.21 62.46 3f12 n SER 85 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3f12 s LEU 86 N -7.52 4.39 0.00 2.46 1.43 -0.06 -4.72 118.68 114.66 3f12 s LEU 86 Ca 0.47 2.40 0.07 0.00 -1.03 0.00 0.00 54.13 56.03 3f12 s LEU 86 Cb -0.26 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 42.43 3f12 s LEU 86 CO 0.98 -0.63 0.57 0.54 0.23 0.00 0.00 176.35 178.04 3f12 n ARG 87 N 3.40 0.70 0.26 1.70 1.74 -1.26 0.16 116.66 123.36 3f12 n ARG 87 Ca 0.10 -2.91 -0.12 0.00 -0.77 0.00 0.00 57.85 54.15 3f12 n ARG 87 Cb 0.42 0.02 -0.06 0.00 -1.02 0.00 0.00 32.46 31.82 3f12 n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3f12 h ALA 88 N 0.38 -0.72 0.00 7.54 0.00 -1.97 -3.26 119.26 121.23 3f12 h ALA 88 Ca -0.27 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3f12 h ALA 88 Cb 1.12 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3f12 h ALA 88 CO 0.41 -0.69 0.93 -0.85 0.00 0.00 0.00 179.25 179.04 3f12 n GLU 89 N -5.26 0.03 0.13 0.00 0.28 -1.26 0.21 120.64 114.76 3f12 n GLU 89 Ca -0.10 0.82 0.13 0.00 -0.16 0.00 0.00 57.16 57.85 3f12 n GLU 89 Cb 0.30 -2.49 0.34 0.00 1.43 0.00 0.00 31.44 31.02 3f12 n GLU 89 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3f12 h ASP 90 N 0.00 0.00 -1.26 -1.84 3.32 -1.95 -3.44 116.42 111.25 3f12 h ASP 90 Ca 0.00 -0.01 -0.65 0.00 0.02 0.00 0.00 57.03 56.39 3f12 h ASP 90 Cb 1.86 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.40 3f12 h ASP 90 CO 0.00 0.01 1.44 1.07 -1.72 0.00 0.00 179.24 180.03 3f12 n THR 91 N -2.44 0.21 -3.71 0.35 5.66 0.57 -4.79 114.28 110.12 3f12 n THR 91 Ca 0.05 -0.30 0.03 0.00 -3.05 0.00 0.00 64.05 60.78 3f12 n THR 91 Cb 0.45 -1.83 0.00 0.00 -1.55 0.00 0.00 70.33 67.41 3f12 n THR 91 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3f12 s ALA 92 N 7.59 -2.48 -0.16 1.79 0.00 0.18 -4.65 121.76 124.03 3f12 s ALA 92 Ca 1.08 0.63 -0.19 0.00 0.00 0.00 0.00 51.96 53.47 3f12 s ALA 92 Cb -0.75 0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3f12 s ALA 92 CO 0.46 -1.09 0.54 0.08 0.00 0.00 0.00 175.76 175.75 3f12 s VAL 93 N -2.12 5.11 -0.16 0.00 1.01 -0.70 -0.84 120.40 122.70 3f12 s VAL 93 Ca 0.20 1.05 -0.07 0.00 0.00 0.00 0.00 61.98 63.16 3f12 s VAL 93 Cb 0.05 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3f12 s VAL 93 CO -0.05 0.23 0.06 -0.31 0.00 0.00 0.00 175.10 175.03 3f12 s TYR 94 N 1.23 3.27 0.02 5.22 2.02 0.28 -1.18 117.35 128.21 3f12 s TYR 94 Ca 0.27 0.13 0.08 0.00 -0.37 0.00 0.00 57.07 57.19 3f12 s TYR 94 Cb -0.16 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.36 3f12 s TYR 94 CO 0.11 0.26 -0.25 0.71 -1.57 0.00 0.00 175.55 174.81 3f12 s TYR 95 N 0.05 2.36 -0.13 2.71 2.02 -0.43 -1.61 117.35 122.31 3f12 s TYR 95 Ca 0.05 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.31 3f12 s TYR 95 Cb -0.12 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.95 3f12 s TYR 95 CO 0.01 0.08 0.05 0.00 -1.57 0.00 0.00 175.55 174.11 3f12 s ALA 97 N -0.38 3.66 -0.28 0.00 0.00 -0.01 -2.93 121.76 121.82 3f12 s ALA 97 Ca 0.09 -1.78 -0.03 0.00 0.00 0.00 0.00 51.96 50.24 3f12 s ALA 97 Cb -0.12 -0.21 0.03 0.00 0.00 0.00 0.00 23.12 22.82 3f12 s ALA 97 CO 0.02 -0.16 -0.01 0.21 0.00 0.00 0.00 175.76 175.82 3f12 s LYS 98 N -3.89 2.77 0.37 0.00 2.36 -0.30 -1.93 119.74 119.12 3f12 s LYS 98 Ca 0.33 -1.04 -0.28 0.00 -2.55 0.00 0.00 55.97 52.43 3f12 s LYS 98 Cb 0.04 -3.14 -0.10 0.00 -1.05 0.00 0.00 37.83 33.58 3f12 s LYS 98 CO 0.18 -0.48 1.41 0.34 1.55 0.00 0.00 175.35 178.35 3f12 s ASP 99 N 1.35 6.42 0.14 1.43 2.15 0.28 -1.98 116.67 126.46 3f12 s ASP 99 Ca -0.01 2.90 -0.17 0.00 0.43 0.00 0.00 52.55 55.70 3f12 s ASP 99 Cb -0.18 -2.66 -0.00 0.00 -0.30 0.00 0.00 42.92 39.78 3f12 s ASP 99 CO -0.02 -0.81 1.79 1.23 -0.17 0.00 0.00 175.17 177.20 3f12 h GLY 100 N 3.01 0.46 0.00 2.66 0.00 -1.84 -3.40 103.07 103.96 3f12 h GLY 100 Ca -0.50 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.67 3f12 h GLY 100 CO 0.64 0.14 0.00 -1.26 0.00 0.00 0.00 176.54 176.06 3f12 n SER 109 N -4.89 0.00 0.00 0.19 2.88 -1.26 -4.84 113.62 105.70 3f12 n SER 109 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3f12 n SER 109 Cb 0.04 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.50 3f12 n SER 109 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3f12 n GLY 110 N 0.00 0.87 0.91 0.46 0.00 -1.26 -4.98 105.19 101.19 3f12 n GLY 110 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 46.02 45.77 3f12 n GLY 110 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3f12 n LEU 111 N 0.00 3.65 0.00 0.99 7.94 -1.26 -5.09 117.00 123.23 3f12 n LEU 111 Ca 0.00 -3.63 0.00 0.00 -1.11 0.00 0.00 56.01 51.27 3f12 n LEU 111 Cb 0.00 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.37 3f12 n LEU 111 CO 0.00 1.15 0.00 0.18 -1.11 0.00 0.00 177.39 177.61 3f12 n LEU 112 N -1.07 0.00 0.00 -1.96 4.77 -1.26 -4.52 117.00 112.96 3f12 n LEU 112 Ca 0.27 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3f12 n LEU 112 Cb 0.91 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.00 3f12 n LEU 112 CO 0.12 0.00 -0.50 -0.90 -1.33 0.00 0.00 177.39 174.79 3f12 n ASP 113 N 0.00 4.98 -3.83 -1.43 5.75 -0.84 -4.87 116.55 116.31 3f12 n ASP 113 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 54.79 54.55 3f12 n ASP 113 Cb 0.00 0.80 -0.17 0.00 -1.03 0.00 0.00 41.12 40.72 3f12 n ASP 113 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3f12 s TYR 114 N -1.99 0.90 0.16 2.11 2.02 -1.26 -5.00 117.35 114.30 3f12 s TYR 114 Ca 0.00 -0.32 0.10 0.00 -0.37 0.00 0.00 57.07 56.48 3f12 s TYR 114 Cb 0.00 -0.89 -0.04 0.00 -0.40 0.00 0.00 41.96 40.63 3f12 s TYR 114 CO 0.00 -0.35 -0.18 -1.58 -1.57 0.00 0.00 175.55 171.87 3f12 s TRP 115 N 1.68 2.47 0.16 2.71 0.52 -1.26 -1.15 118.94 124.07 3f12 s TRP 115 Ca 0.01 -0.29 0.04 0.00 0.02 0.00 0.00 56.10 55.88 3f12 s TRP 115 Cb -0.13 -1.25 -0.04 0.00 -1.15 0.00 0.00 33.47 30.91 3f12 s TRP 115 CO -0.05 0.46 0.23 0.20 0.02 0.00 0.00 176.95 177.81 3f12 s GLY 116 N -2.53 1.69 0.39 0.98 0.00 -1.15 -4.75 107.32 101.96 3f12 s GLY 116 Ca 0.21 -1.11 0.09 0.00 0.00 0.00 0.00 44.72 43.91 3f12 s GLY 116 CO 0.11 -1.12 1.97 0.06 0.00 0.00 0.00 173.10 174.13 3f12 h GLN 117 N 2.20 0.58 0.00 2.90 3.07 -1.94 -3.42 115.11 118.50 3f12 h GLN 117 Ca -0.48 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.22 3f12 h GLN 117 Cb 1.20 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.63 3f12 h GLN 117 CO 0.66 0.38 0.00 0.41 0.09 0.00 0.00 178.83 180.37 3f12 n GLY 118 N -1.48 3.24 2.89 0.06 0.00 -1.26 -4.92 105.19 103.72 3f12 n GLY 118 Ca 0.10 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 43.95 3f12 n GLY 118 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3f12 s THR 119 N -2.76 0.53 0.23 2.61 -1.32 -0.64 -4.77 115.64 109.53 3f12 s THR 119 Ca 0.00 -0.12 -0.23 0.00 -1.21 0.00 0.00 61.69 60.13 3f12 s THR 119 Cb 0.00 -0.56 -0.09 0.00 -1.51 0.00 0.00 72.50 70.34 3f12 s THR 119 CO 0.00 0.23 0.80 -0.22 -2.21 0.00 0.00 174.62 173.21 3f12 s LEU 120 N 0.93 4.42 -0.30 9.08 2.96 -1.26 -0.56 118.68 133.95 3f12 s LEU 120 Ca -0.11 1.59 -0.01 0.00 -0.22 0.00 0.00 54.13 55.38 3f12 s LEU 120 Cb -0.14 -3.61 0.10 0.00 0.50 0.00 0.00 46.19 43.03 3f12 s LEU 120 CO 0.00 0.06 0.09 -0.69 -1.32 0.00 0.00 176.35 174.49 3f12 s VAL 121 N -1.43 0.88 -0.17 1.68 1.01 -0.02 -2.57 120.40 119.76 3f12 s VAL 121 Ca 0.43 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 3f12 s VAL 121 Cb -0.19 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 3f12 s VAL 121 CO 0.23 -0.62 0.16 -0.89 0.00 0.00 0.00 175.10 173.99 3f12 s THR 122 N 1.63 5.41 -0.16 3.92 2.01 -0.43 -0.64 115.64 127.37 3f12 s THR 122 Ca 0.08 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.35 3f12 s THR 122 Cb -0.17 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 68.88 3f12 s THR 122 CO -0.23 0.48 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.32 3f12 s VAL 123 N 0.02 1.80 0.17 3.82 1.01 -1.26 -1.68 120.40 124.28 3f12 s VAL 123 Ca 0.11 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 3f12 s VAL 123 Cb -0.12 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.66 3f12 s VAL 123 CO 0.01 0.50 0.54 -0.55 0.00 0.00 0.00 175.10 175.59 3f12 s SER 124 N 1.30 -0.37 -0.09 3.32 0.15 -0.88 -4.70 113.70 112.43 3f12 s SER 124 Ca 0.03 -0.27 0.16 0.00 0.70 0.00 0.00 55.95 56.57 3f12 s SER 124 Cb -0.13 0.57 -0.23 0.00 -1.71 0.00 0.00 66.02 64.52 3f12 s SER 124 CO -0.10 -1.00 0.41 -1.54 1.20 0.00 0.00 173.24 172.21 3f12 n SER 125 N -0.34 0.41 -4.85 5.45 3.41 -1.26 -3.50 113.62 112.94 3f12 n SER 125 Ca -0.14 0.19 -0.32 0.00 -0.26 0.00 0.00 58.87 58.35 3f12 n SER 125 Cb 0.63 0.62 -0.02 0.00 -0.26 0.00 0.00 64.21 65.18 3f12 n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f12 s ALA 126 N -2.68 3.10 0.62 7.33 0.00 -1.26 -4.97 121.76 123.90 3f12 s ALA 126 Ca -0.07 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 51.86 3f12 s ALA 126 Cb 0.08 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 3f12 s ALA 126 CO 0.83 -0.35 1.01 -1.12 0.00 0.00 0.00 175.76 176.13 3f12 s SER 127 N -3.40 6.01 0.59 0.00 0.01 -1.26 -4.99 113.70 110.65 3f12 s SER 127 Ca 0.57 1.24 -0.18 0.00 1.31 0.00 0.00 55.95 58.90 3f12 s SER 127 Cb -0.10 -2.26 -0.08 0.00 0.21 0.00 0.00 66.02 63.78 3f12 s SER 127 CO 0.38 -0.96 0.48 0.49 0.41 0.00 0.00 173.24 174.04 3f12 n PHE 128 N -2.74 -0.84 -3.56 2.43 0.99 -1.26 -4.69 117.46 107.80 3f12 n PHE 128 Ca 0.05 0.43 0.03 0.00 -0.00 0.00 0.00 57.45 57.96 3f12 n PHE 128 Cb 0.55 -1.93 -0.06 0.00 -1.00 0.00 0.00 39.48 37.04 3f12 n PHE 128 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 3f12 s LYS 129 N -2.11 0.04 0.68 -1.08 2.20 0.71 -4.90 119.74 115.28 3f12 s LYS 129 Ca 0.68 0.07 -0.15 0.00 -0.36 0.00 0.00 55.97 56.21 3f12 s LYS 129 Cb -0.43 0.02 0.01 0.00 -1.51 0.00 0.00 37.83 35.91 3f12 s LYS 129 CO 0.55 -0.01 1.14 0.20 -0.36 0.00 0.00 175.35 176.88 3f12 s GLY 130 N 1.23 2.22 0.60 5.54 0.00 -1.26 -0.86 107.32 114.80 3f12 s GLY 130 Ca -0.06 0.66 -0.08 0.00 0.00 0.00 0.00 44.72 45.24 3f12 s GLY 130 CO -0.11 1.03 0.95 2.56 0.00 0.00 0.00 173.10 177.53 3f12 s PRO 131 N -4.02 3.15 -0.28 2.90 0.04 -1.25 -4.58 135.00 130.96 3f12 s PRO 131 Ca 0.69 0.27 -0.06 0.00 0.04 0.00 0.00 61.00 61.95 3f12 s PRO 131 Cb -0.23 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.11 3f12 s PRO 131 CO 0.42 -0.65 0.05 -1.12 0.04 0.00 0.00 177.00 175.74 3f12 s SER 132 N -4.26 4.96 -0.17 6.66 0.01 -0.15 -4.93 113.70 115.82 3f12 s SER 132 Ca 0.54 -0.63 -0.15 0.00 1.31 0.00 0.00 55.95 57.02 3f12 s SER 132 Cb -0.11 -1.85 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 3f12 s SER 132 CO 0.48 -0.15 0.35 -0.69 0.41 0.00 0.00 173.24 173.64 3f12 s VAL 133 N 1.49 5.25 0.28 3.43 1.01 -1.26 -1.68 120.40 128.92 3f12 s VAL 133 Ca 0.03 0.65 0.12 0.00 0.00 0.00 0.00 61.98 62.78 3f12 s VAL 133 Cb -0.17 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 3f12 s VAL 133 CO 0.01 0.33 -0.20 -0.36 0.00 0.00 0.00 175.10 174.89 3f12 s PHE 134 N 0.82 2.30 0.27 5.22 0.08 -0.93 -4.95 117.98 120.79 3f12 s PHE 134 Ca 0.18 -0.33 0.06 0.00 0.12 0.00 0.00 56.93 56.97 3f12 s PHE 134 Cb -0.14 -1.00 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 3f12 s PHE 134 CO 0.06 0.72 0.29 -2.14 -0.10 0.00 0.00 175.22 174.05 3f12 s PRO 135 N -3.51 3.08 0.00 0.24 0.02 -1.26 -0.74 135.00 132.83 3f12 s PRO 135 Ca 0.30 -0.99 0.00 0.00 0.02 0.00 0.00 61.00 60.33 3f12 s PRO 135 Cb -0.05 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.79 3f12 s PRO 135 CO 0.15 0.33 0.00 1.28 -0.33 0.00 0.00 177.00 178.43 3f12 n LEU 136 N -1.33 0.00 0.00 -5.54 4.77 -0.11 -4.82 117.00 109.97 3f12 n LEU 136 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3f12 n LEU 136 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3f12 n LEU 136 CO 0.43 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.49 3f12 n ALA 137 N -3.00 0.00 0.00 -1.18 0.00 -1.26 -4.95 120.51 110.12 3f12 n ALA 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3f12 n ALA 137 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3f12 n ALA 137 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3f12 n THR 147 N 0.00 0.00 -3.10 0.00 5.66 -1.26 -4.82 114.28 110.76 3f12 n THR 147 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 3f12 n THR 147 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 3f12 n THR 147 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3f12 s ALA 148 N 0.00 3.59 -0.04 1.79 0.00 -0.68 -4.91 121.76 121.51 3f12 s ALA 148 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.22 3f12 s ALA 148 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.84 3f12 s ALA 148 CO 0.00 -0.16 -0.13 0.00 0.00 0.00 0.00 175.76 175.47 3f12 s ALA 149 N -2.48 1.21 0.00 0.00 0.00 -1.26 0.58 121.76 119.81 3f12 s ALA 149 Ca 0.43 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.90 3f12 s ALA 149 Cb -0.10 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3f12 s ALA 149 CO 0.39 0.19 0.00 1.28 0.00 0.00 0.00 175.76 177.62 3f12 n LEU 150 N 3.35 0.00 0.00 0.00 4.32 0.31 -4.46 117.00 120.52 3f12 n LEU 150 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 3f12 n LEU 150 Cb 0.53 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 3f12 n LEU 150 CO 0.25 -0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.02 3f12 n GLY 151 N 5.00 3.15 3.16 -0.72 0.00 -1.26 -2.99 105.19 111.54 3f12 n GLY 151 Ca 0.00 -1.38 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 3f12 n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f12 s LEU 153 N -1.29 5.42 -0.55 0.00 2.96 0.08 -2.08 118.68 123.23 3f12 s LEU 153 Ca 0.02 -1.88 -0.27 0.00 -0.22 0.00 0.00 54.13 51.77 3f12 s LEU 153 Cb -0.08 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.70 3f12 s LEU 153 CO 0.02 -0.61 1.08 -0.69 -1.32 0.00 0.00 176.35 174.83 3f12 s VAL 154 N 1.29 4.20 0.11 1.68 1.01 0.31 -2.20 120.40 126.80 3f12 s VAL 154 Ca 0.06 0.74 0.09 0.00 0.00 0.00 0.00 61.98 62.87 3f12 s VAL 154 Cb -0.24 -4.63 -0.04 0.00 0.00 0.00 0.00 36.38 31.47 3f12 s VAL 154 CO -0.02 -1.18 -0.22 -0.75 0.00 0.00 0.00 175.10 172.93 3f12 s LYS 155 N 4.48 1.69 -0.38 2.72 2.20 -0.68 0.26 119.74 130.03 3f12 s LYS 155 Ca 0.39 -1.21 -0.19 0.00 -0.36 0.00 0.00 55.97 54.60 3f12 s LYS 155 Cb -0.09 -2.04 0.03 0.00 -1.51 0.00 0.00 37.83 34.22 3f12 s LYS 155 CO 0.24 0.48 0.47 -0.25 -0.36 0.00 0.00 175.35 175.94 3f12 n ASP 156 N 1.00 -7.11 -3.95 1.43 8.00 -0.58 -0.98 116.55 114.36 3f12 n ASP 156 Ca -0.17 0.45 -0.09 0.00 0.71 0.00 0.00 54.79 55.70 3f12 n ASP 156 Cb 0.53 -3.91 -0.08 0.00 -0.02 0.00 0.00 41.12 37.64 3f12 n ASP 156 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3f12 s TYR 157 N -1.97 0.35 -0.28 1.24 1.13 -1.09 -3.95 117.35 112.78 3f12 s TYR 157 Ca 0.23 -0.78 -0.23 0.00 -1.41 0.00 0.00 57.07 54.88 3f12 s TYR 157 Cb -0.04 -0.16 0.09 0.00 -1.10 0.00 0.00 41.96 40.74 3f12 s TYR 157 CO 0.73 -0.55 0.82 0.12 -2.51 0.00 0.00 175.55 174.16 3f12 s PHE 158 N -3.92 -0.73 0.00 -3.49 5.36 -0.04 -0.97 117.98 114.20 3f12 s PHE 158 Ca 0.10 1.69 0.00 0.00 -0.96 0.00 0.00 56.93 57.76 3f12 s PHE 158 Cb 0.05 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 3f12 s PHE 158 CO -0.07 -0.35 0.00 -0.35 -1.46 0.00 0.00 175.22 172.99 3f12 n PRO 159 N 2.87 3.40 -3.89 10.12 -0.04 -1.26 -0.21 135.00 145.99 3f12 n PRO 159 Ca -0.15 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.07 3f12 n PRO 159 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 3f12 n PRO 159 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3f12 s GLU 160 N 3.46 3.45 0.19 0.54 0.41 -1.26 -4.75 118.70 120.74 3f12 s GLU 160 Ca 0.00 -0.60 0.04 0.00 -0.41 0.00 0.00 54.97 54.00 3f12 s GLU 160 Cb 0.00 -2.91 -0.05 0.00 -1.78 0.00 0.00 34.13 29.39 3f12 s GLU 160 CO 0.00 0.46 -0.05 -1.25 -0.49 0.00 0.00 175.26 173.93 3f12 s PRO 161 N -3.53 1.21 0.51 0.39 0.04 -1.26 -4.86 135.00 127.49 3f12 s PRO 161 Ca 0.35 -1.57 0.03 0.00 0.04 0.00 0.00 61.00 59.86 3f12 s PRO 161 Cb -0.10 -0.63 0.03 0.00 0.04 0.00 0.00 34.50 33.84 3f12 s PRO 161 CO 0.29 -0.01 0.71 0.14 0.04 0.00 0.00 177.00 178.17 3f12 s VAL 162 N -3.37 2.77 -0.01 -0.36 -7.23 -1.26 -4.30 120.40 106.64 3f12 s VAL 162 Ca 0.23 -0.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.66 3f12 s VAL 162 Cb 0.04 -3.00 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 3f12 s VAL 162 CO 0.05 0.00 -0.10 0.42 -0.31 0.00 0.00 175.10 175.16 3f12 s THR 163 N -2.64 0.82 -0.11 5.32 -4.23 -0.90 -4.97 115.64 108.94 3f12 s THR 163 Ca 0.57 -0.43 0.03 0.00 -1.18 0.00 0.00 61.69 60.68 3f12 s THR 163 Cb -0.10 -0.70 -0.01 0.00 1.34 0.00 0.00 72.50 73.03 3f12 s THR 163 CO 0.37 0.24 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.80 3f12 s VAL 164 N -0.12 2.47 0.01 2.29 1.01 -1.26 -1.84 120.40 122.96 3f12 s VAL 164 Ca 0.02 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3f12 s VAL 164 Cb -0.05 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 3f12 s VAL 164 CO -0.00 0.55 -0.10 -0.55 0.00 0.00 0.00 175.10 175.00 3f12 s SER 165 N 0.25 1.14 -0.17 3.32 0.15 -1.19 -4.97 113.70 112.23 3f12 s SER 165 Ca -0.13 -0.29 -0.07 0.00 0.70 0.00 0.00 55.95 56.16 3f12 s SER 165 Cb -0.17 -0.09 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 3f12 s SER 165 CO 0.07 0.04 0.05 0.26 1.20 0.00 0.00 173.24 174.86 3f12 s TRP 166 N -0.55 3.24 -1.61 3.44 0.52 -1.26 -0.15 118.94 122.57 3f12 s TRP 166 Ca 0.01 0.08 0.00 0.00 0.02 0.00 0.00 56.10 56.21 3f12 s TRP 166 Cb -0.05 -2.04 0.00 0.00 -1.15 0.00 0.00 33.47 30.23 3f12 s TRP 166 CO 0.00 0.20 0.00 0.09 0.02 0.00 0.00 176.95 177.26 3f12 n ASN 167 N 3.33 -4.10 -0.23 2.95 3.02 0.20 -2.28 115.26 118.15 3f12 n ASN 167 Ca -0.17 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 3f12 n ASN 167 Cb 0.52 -3.73 0.00 0.00 -0.61 0.00 0.00 39.78 35.97 3f12 n ASN 167 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3f12 n SER 168 N -0.84 -1.35 0.00 6.41 7.64 -1.26 -4.02 113.62 120.20 3f12 n SER 168 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 3f12 n SER 168 Cb 0.52 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 3f12 n SER 168 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f12 n GLY 169 N -0.71 3.23 0.52 0.23 0.00 -0.96 -4.95 105.19 102.56 3f12 n GLY 169 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3f12 n GLY 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f12 h ALA 170 N 0.00 -1.34 -1.97 4.61 0.00 -1.70 -3.40 119.26 115.47 3f12 h ALA 170 Ca 0.00 -0.28 -0.57 0.00 0.00 0.00 0.00 54.91 54.06 3f12 h ALA 170 Cb 0.00 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3f12 h ALA 170 CO 0.00 -1.25 1.18 -1.17 0.00 0.00 0.00 179.25 178.01 3f12 s LEU 171 N -9.88 3.74 0.00 0.00 2.96 -1.16 -4.77 118.68 109.57 3f12 s LEU 171 Ca -0.19 1.48 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 3f12 s LEU 171 Cb 0.02 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.18 3f12 s LEU 171 CO 0.59 -1.43 0.00 0.41 -1.32 0.00 0.00 176.35 174.60 3f12 n THR 172 N 6.81 0.00 -2.02 3.68 -1.04 -1.26 -4.20 114.28 116.25 3f12 n THR 172 Ca 0.20 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.80 3f12 n THR 172 Cb 0.46 -0.42 -0.02 0.00 -1.82 0.00 0.00 70.33 68.53 3f12 n THR 172 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3f12 s SER 173 N -3.80 6.66 0.00 8.00 0.15 -1.26 -2.64 113.70 120.81 3f12 s SER 173 Ca 0.00 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.33 3f12 s SER 173 Cb 0.00 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 3f12 s SER 173 CO 0.00 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.37 3f12 n GLY 174 N 1.95 2.03 3.70 9.45 0.00 -1.26 -4.73 105.19 116.33 3f12 n GLY 174 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3f12 n GLY 174 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f12 s VAL 175 N -2.59 2.80 -0.31 1.61 1.01 -1.08 -3.17 120.40 118.68 3f12 s VAL 175 Ca 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 61.98 62.36 3f12 s VAL 175 Cb 0.00 -3.26 0.10 0.00 0.00 0.00 0.00 36.38 33.23 3f12 s VAL 175 CO 0.00 0.01 0.12 -1.00 0.00 0.00 0.00 175.10 174.23 3f12 s HIS 176 N 2.14 1.11 -0.36 5.22 3.76 -0.89 -4.99 115.29 121.28 3f12 s HIS 176 Ca 0.74 -1.42 -0.19 0.00 -0.15 0.00 0.00 55.06 54.04 3f12 s HIS 176 Cb -0.42 -1.35 -0.00 0.00 1.11 0.00 0.00 32.58 31.92 3f12 s HIS 176 CO 0.32 -0.85 0.55 0.99 -0.85 0.00 0.00 174.74 174.90 3f12 s THR 177 N 1.73 4.98 0.56 1.30 2.01 -1.26 -1.45 115.64 123.50 3f12 s THR 177 Ca 0.10 0.38 -0.12 0.00 0.31 0.00 0.00 61.69 62.35 3f12 s THR 177 Cb -0.17 -4.01 -0.06 0.00 0.01 0.00 0.00 72.50 68.28 3f12 s THR 177 CO -0.27 -0.26 0.98 -0.36 -0.69 0.00 0.00 174.62 174.01 3f12 s PHE 178 N 2.49 3.55 -0.01 4.92 0.08 -0.87 -5.00 117.98 123.15 3f12 s PHE 178 Ca 0.20 1.30 -0.30 0.00 0.12 0.00 0.00 56.93 58.25 3f12 s PHE 178 Cb -0.15 -2.69 -0.07 0.00 -0.57 0.00 0.00 43.02 39.54 3f12 s PHE 178 CO 0.14 -0.50 1.69 -2.14 -0.10 0.00 0.00 175.22 174.31 3f12 s PRO 179 N -4.65 4.18 0.75 0.24 0.02 -1.26 -4.56 135.00 129.72 3f12 s PRO 179 Ca 0.56 2.28 -0.16 0.00 0.02 0.00 0.00 61.00 63.70 3f12 s PRO 179 Cb -0.10 -3.90 -0.04 0.00 0.02 0.00 0.00 34.50 30.47 3f12 s PRO 179 CO 0.44 -0.82 0.39 0.00 -0.33 0.00 0.00 177.00 176.67 3f12 n ALA 180 N 6.74 -1.97 -2.60 -1.55 0.00 -1.26 -4.89 120.51 114.97 3f12 n ALA 180 Ca 0.17 -0.30 -0.27 0.00 0.00 0.00 0.00 53.44 53.05 3f12 n ALA 180 Cb 0.42 -1.78 -0.16 0.00 0.00 0.00 0.00 19.45 17.94 3f12 n ALA 180 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3f12 s VAL 181 N -1.98 1.55 -0.24 0.00 0.11 0.37 -4.93 120.40 115.29 3f12 s VAL 181 Ca 0.62 -0.82 -0.21 0.00 -2.93 0.00 0.00 61.98 58.65 3f12 s VAL 181 Cb -0.33 -1.30 -0.02 0.00 -1.53 0.00 0.00 36.38 33.20 3f12 s VAL 181 CO 0.61 0.44 0.65 -0.22 -3.33 0.00 0.00 175.10 173.25 3f12 s LEU 182 N -0.29 4.08 -0.10 2.54 2.96 -1.26 -1.94 118.68 124.66 3f12 s LEU 182 Ca 0.03 0.77 -0.10 0.00 -0.22 0.00 0.00 54.13 54.61 3f12 s LEU 182 Cb -0.09 -2.89 -0.05 0.00 0.50 0.00 0.00 46.19 43.66 3f12 s LEU 182 CO 0.00 -0.36 0.22 -1.10 -1.32 0.00 0.00 176.35 173.79 3f12 s GLN 183 N 2.41 3.70 0.15 1.98 -0.21 -1.10 -4.94 119.66 121.65 3f12 s GLN 183 Ca 0.28 0.02 0.02 0.00 0.02 0.00 0.00 55.36 55.69 3f12 s GLN 183 Cb -0.16 -3.24 0.10 0.00 1.00 0.00 0.00 33.01 30.71 3f12 s GLN 183 CO 0.09 0.67 0.74 -1.13 -2.12 0.00 0.00 175.29 173.53 3f12 n SER 184 N 2.21 0.05 0.06 5.90 3.41 -1.26 0.30 113.62 124.28 3f12 n SER 184 Ca -0.17 0.20 0.12 0.00 -0.26 0.00 0.00 58.87 58.76 3f12 n SER 184 Cb 0.54 -0.11 0.47 0.00 -0.26 0.00 0.00 64.21 64.85 3f12 n SER 184 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3f12 n SER 185 N -1.44 0.39 0.00 4.04 7.64 -1.26 -4.85 113.62 118.13 3f12 n SER 185 Ca -0.00 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.44 3f12 n SER 185 Cb 0.52 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 3f12 n SER 185 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3f12 n GLY 186 N 0.85 2.23 3.72 0.23 0.00 0.87 -4.64 105.19 108.45 3f12 n GLY 186 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3f12 n GLY 186 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f12 s LEU 187 N 0.00 4.27 1.15 0.99 1.43 -1.20 -4.78 118.68 120.54 3f12 s LEU 187 Ca 0.00 0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 53.76 3f12 s LEU 187 Cb 0.00 -2.72 0.26 0.00 0.03 0.00 0.00 46.19 43.76 3f12 s LEU 187 CO 0.00 -0.02 1.11 -0.31 0.23 0.00 0.00 176.35 177.35 3f12 s TYR 188 N 0.72 0.96 -0.29 0.29 2.02 -0.14 -2.71 117.35 118.19 3f12 s TYR 188 Ca 0.27 0.63 -0.17 0.00 -0.37 0.00 0.00 57.07 57.42 3f12 s TYR 188 Cb -0.15 -3.41 0.18 0.00 -0.40 0.00 0.00 41.96 38.18 3f12 s TYR 188 CO 0.11 -3.60 1.18 0.45 -1.57 0.00 0.00 175.55 172.11 3f12 s SER 189 N -3.78 -0.22 0.26 2.29 0.15 -0.82 -1.53 113.70 110.05 3f12 s SER 189 Ca 0.69 0.37 0.02 0.00 0.70 0.00 0.00 55.95 57.73 3f12 s SER 189 Cb -0.12 0.98 -0.04 0.00 -1.71 0.00 0.00 66.02 65.13 3f12 s SER 189 CO 0.56 -0.06 0.15 -1.48 1.20 0.00 0.00 173.24 173.62 3f12 s LEU 190 N 0.99 1.49 -0.04 3.45 0.05 0.14 -0.48 118.68 124.29 3f12 s LEU 190 Ca -0.06 -1.49 -0.02 0.00 0.05 0.00 0.00 54.13 52.61 3f12 s LEU 190 Cb -0.03 0.27 0.03 0.00 -2.05 0.00 0.00 46.19 44.41 3f12 s LEU 190 CO -0.12 -0.86 0.05 -0.94 -0.55 0.00 0.00 176.35 173.93 3f12 s SER 191 N -3.29 1.05 -0.10 1.48 1.04 -1.26 -0.53 113.70 112.10 3f12 s SER 191 Ca 0.38 0.06 -0.03 0.00 0.48 0.00 0.00 55.95 56.84 3f12 s SER 191 Cb 0.06 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 3f12 s SER 191 CO 0.16 -0.23 0.03 -0.55 0.98 0.00 0.00 173.24 173.63 3f12 s SER 192 N 2.01 5.46 0.18 7.02 0.15 -0.88 -2.04 113.70 125.59 3f12 s SER 192 Ca 0.03 0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.89 3f12 s SER 192 Cb -0.12 -1.62 -0.01 0.00 -1.71 0.00 0.00 66.02 62.56 3f12 s SER 192 CO -0.03 0.37 0.07 1.33 1.20 0.00 0.00 173.24 176.18 3f12 n VAL 193 N 2.24 0.00 -3.62 4.45 0.24 -0.53 -0.72 118.33 120.39 3f12 n VAL 193 Ca -0.19 -1.05 -0.09 0.00 -2.04 0.00 0.00 64.34 60.97 3f12 n VAL 193 Cb 0.54 0.40 -0.06 0.00 -1.47 0.00 0.00 33.84 33.24 3f12 n VAL 193 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3f12 s VAL 194 N -2.27 0.00 -0.25 3.34 0.11 -1.16 -2.09 120.40 118.08 3f12 s VAL 194 Ca 0.10 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.09 3f12 s VAL 194 Cb 0.01 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.84 3f12 s VAL 194 CO 0.07 0.00 0.04 0.42 -3.33 0.00 0.00 175.10 172.30 3f12 s THR 195 N -0.31 3.97 0.04 5.04 -4.23 -1.19 -0.53 115.64 118.42 3f12 s THR 195 Ca 0.02 -0.37 0.07 0.00 -1.18 0.00 0.00 61.69 60.23 3f12 s THR 195 Cb -0.03 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 3f12 s THR 195 CO -0.04 0.31 -0.18 0.68 -0.54 0.00 0.00 174.62 174.86 3f12 s VAL 196 N 1.55 2.81 0.25 2.29 -7.23 0.20 -4.73 120.40 115.54 3f12 s VAL 196 Ca 0.05 -1.17 -0.30 0.00 -1.81 0.00 0.00 61.98 58.76 3f12 s VAL 196 Cb -0.15 -2.18 -0.10 0.00 0.56 0.00 0.00 36.38 34.51 3f12 s VAL 196 CO 0.01 0.34 1.33 -2.16 -0.31 0.00 0.00 175.10 174.32 3f12 s PRO 197 N -1.43 4.36 0.00 4.82 0.04 -1.26 -1.69 135.00 139.84 3f12 s PRO 197 Ca 0.15 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.33 3f12 s PRO 197 Cb -0.10 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.30 3f12 s PRO 197 CO 0.05 -0.25 0.00 0.45 0.04 0.00 0.00 177.00 177.29 3f12 n SER 198 N 1.98 0.00 0.00 6.66 2.88 -1.26 -4.81 113.62 119.07 3f12 n SER 198 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 3f12 n SER 198 Cb 0.42 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 3f12 n SER 198 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3f12 n SER 199 N 0.00 0.00 -4.56 -3.46 7.64 -1.26 -4.83 113.62 107.15 3f12 n SER 199 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 3f12 n SER 199 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 3f12 n SER 199 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3f12 s THR 205 N 0.00 4.79 -0.17 0.44 2.01 -1.26 -5.13 115.64 116.32 3f12 s THR 205 Ca 0.00 0.61 -0.02 0.00 0.31 0.00 0.00 61.69 62.59 3f12 s THR 205 Cb 0.00 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.32 3f12 s THR 205 CO 0.00 -0.46 -0.09 -0.31 -0.69 0.00 0.00 174.62 173.08 3f12 s TYR 206 N 2.95 2.89 -0.02 4.92 2.02 -1.26 -4.93 117.35 123.93 3f12 s TYR 206 Ca 0.27 -0.80 0.03 0.00 -0.37 0.00 0.00 57.07 56.21 3f12 s TYR 206 Cb -0.14 -1.97 -0.00 0.00 -0.40 0.00 0.00 41.96 39.45 3f12 s TYR 206 CO 0.17 -0.38 -0.12 0.42 -1.57 0.00 0.00 175.55 174.08 3f12 s ILE 207 N 0.90 0.98 -0.32 2.71 1.01 -1.25 -3.58 121.20 121.65 3f12 s ILE 207 Ca -0.02 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.03 3f12 s ILE 207 Cb -0.15 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 3f12 s ILE 207 CO 0.00 0.29 0.18 0.00 0.00 0.00 0.00 174.94 175.41 3f12 s ASN 209 N 1.66 7.02 -0.11 0.00 -0.87 0.79 -1.92 114.94 121.50 3f12 s ASN 209 Ca 0.05 -3.08 -0.30 0.00 -1.57 0.00 0.00 52.86 47.97 3f12 s ASN 209 Cb -0.17 -2.23 -0.01 0.00 -0.02 0.00 0.00 41.25 38.82 3f12 s ASN 209 CO 0.08 -0.48 1.02 -0.69 -2.57 0.00 0.00 177.10 174.47 3f12 s VAL 210 N -0.30 4.74 -0.22 1.60 1.01 0.08 -3.18 120.40 124.13 3f12 s VAL 210 Ca 0.25 2.01 0.00 0.00 0.00 0.00 0.00 61.98 64.25 3f12 s VAL 210 Cb -0.09 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.05 3f12 s VAL 210 CO -0.08 -0.00 -0.05 0.21 0.00 0.00 0.00 175.10 175.17 3f12 s ASN 211 N 1.13 3.68 -1.08 3.32 3.04 -0.77 -0.96 114.94 123.30 3f12 s ASN 211 Ca 0.49 -1.09 -0.10 0.00 0.04 0.00 0.00 52.86 52.20 3f12 s ASN 211 Cb -0.19 -1.13 0.27 0.00 -1.54 0.00 0.00 41.25 38.66 3f12 s ASN 211 CO 0.18 -0.23 1.08 -2.28 -3.04 0.00 0.00 177.10 172.81 3f12 s HIS 212 N 1.44 4.18 0.26 0.43 5.65 0.53 -2.11 115.29 125.66 3f12 s HIS 212 Ca -0.05 -2.58 -0.04 0.00 0.25 0.00 0.00 55.06 52.64 3f12 s HIS 212 Cb -0.18 -3.86 0.51 0.00 -1.18 0.00 0.00 32.58 27.87 3f12 s HIS 212 CO -0.07 -0.98 1.64 -0.22 -0.65 0.00 0.00 174.74 174.47 3f12 h LYS 213 N 6.83 0.15 0.00 2.88 1.63 -1.79 -2.16 116.57 124.11 3f12 h LYS 213 Ca 0.18 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 3f12 h LYS 213 Cb 0.90 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 3f12 h LYS 213 CO 0.99 0.10 0.11 -2.30 -3.45 0.00 0.00 179.45 174.89 3f12 n PRO 214 N -5.29 0.03 -0.27 1.90 -0.02 -1.26 -2.79 135.00 127.29 3f12 n PRO 214 Ca 0.16 0.46 0.01 0.00 -2.02 0.00 0.00 63.50 62.11 3f12 n PRO 214 Cb 0.52 -1.71 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 3f12 n PRO 214 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3f12 n SER 215 N -1.61 0.37 -3.61 2.55 3.41 -0.83 -4.89 113.62 109.00 3f12 n SER 215 Ca -0.00 -1.81 -0.24 0.00 -0.26 0.00 0.00 58.87 56.56 3f12 n SER 215 Cb 0.11 -0.15 0.04 0.00 -0.26 0.00 0.00 64.21 63.96 3f12 n SER 215 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3f12 n ASN 216 N -0.18 -3.62 -3.84 4.04 4.05 -1.12 -4.79 115.26 109.80 3f12 n ASN 216 Ca 0.02 -0.87 -0.30 0.00 0.45 0.00 0.00 54.58 53.88 3f12 n ASN 216 Cb 0.61 -4.04 -0.16 0.00 1.23 0.00 0.00 39.78 37.42 3f12 n ASN 216 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 3f12 s THR 217 N -3.55 1.16 -0.10 -0.44 2.01 -1.12 -5.06 115.64 108.55 3f12 s THR 217 Ca 0.25 -1.18 0.02 0.00 0.31 0.00 0.00 61.69 61.09 3f12 s THR 217 Cb -0.07 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.79 3f12 s THR 217 CO 0.82 -0.31 -0.16 -0.75 -0.69 0.00 0.00 174.62 173.52 3f12 s LYS 218 N 1.53 3.05 -0.09 4.92 2.47 -1.26 -0.35 119.74 130.01 3f12 s LYS 218 Ca 0.01 -0.74 -0.08 0.00 -1.56 0.00 0.00 55.97 53.60 3f12 s LYS 218 Cb -0.18 -2.47 0.02 0.00 -1.46 0.00 0.00 37.83 33.74 3f12 s LYS 218 CO -0.11 0.32 0.23 0.08 0.16 0.00 0.00 175.35 176.03 3f12 s VAL 219 N 0.05 -0.00 -0.10 4.02 1.01 -0.14 -5.03 120.40 120.21 3f12 s VAL 219 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3f12 s VAL 219 Cb -0.15 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.92 3f12 s VAL 219 CO 0.05 0.00 -0.12 -1.81 0.00 0.00 0.00 175.10 173.22 3f12 s ASP 220 N 0.15 2.17 -0.12 3.32 1.01 -1.26 -0.74 116.67 121.20 3f12 s ASP 220 Ca -0.00 -0.36 0.02 0.00 0.71 0.00 0.00 52.55 52.92 3f12 s ASP 220 Cb -0.02 -0.94 0.01 0.00 1.01 0.00 0.00 42.92 42.98 3f12 s ASP 220 CO 0.00 -0.02 -0.17 -0.75 0.21 0.00 0.00 175.17 174.44 3f12 s LYS 221 N 1.11 2.43 0.00 8.23 2.47 -0.81 -4.96 119.74 128.21 3f12 s LYS 221 Ca -0.05 -0.63 0.00 0.00 -1.56 0.00 0.00 55.97 53.72 3f12 s LYS 221 Cb -0.14 -2.04 0.00 0.00 -1.46 0.00 0.00 37.83 34.18 3f12 s LYS 221 CO -0.02 -0.07 0.00 1.17 0.16 0.00 0.00 175.35 176.59 3f12 n LYS 222 N 4.22 0.00 -0.27 4.03 4.81 -1.26 -1.30 118.16 128.38 3f12 n LYS 222 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 3f12 n LYS 222 Cb 0.51 -0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.54 3f12 n LYS 222 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3f12 n VAL 223 N 0.00 -0.50 -0.29 3.15 0.31 -1.23 -3.91 118.33 115.85 3f12 n VAL 223 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3f12 n VAL 223 Cb 0.00 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 3f12 n VAL 223 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67