#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1it9 s VAL 2 N 0.00 4.62 0.03 5.09 1.01 -1.26 -4.06 120.40 125.83 1it9 s VAL 2 Ca 0.00 1.88 -0.28 0.00 0.00 0.00 0.00 61.98 63.58 1it9 s VAL 2 Cb 0.00 -4.23 0.09 0.00 0.00 0.00 0.00 36.38 32.24 1it9 s VAL 2 CO 0.00 0.33 0.92 0.00 0.00 0.00 0.00 175.10 176.35 1it9 s GLN 3 N 0.04 0.90 -0.05 2.72 -2.07 -0.94 -4.99 119.66 115.26 1it9 s GLN 3 Ca 0.44 -0.39 0.06 0.00 -1.82 0.00 0.00 55.36 53.65 1it9 s GLN 3 Cb -0.22 0.38 -0.01 0.00 -1.09 0.00 0.00 33.01 32.07 1it9 s GLN 3 CO 0.27 -0.40 -0.22 -0.51 -1.32 0.00 0.00 175.29 173.11 1it9 s LEU 4 N -2.60 2.01 -0.20 2.60 1.43 -1.26 -2.07 118.68 118.58 1it9 s LEU 4 Ca 0.07 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1it9 s LEU 4 Cb -0.01 -1.21 0.01 0.00 0.03 0.00 0.00 46.19 45.01 1it9 s LEU 4 CO -0.06 0.22 -0.12 -0.69 0.23 0.00 0.00 176.35 175.93 1it9 s VAL 5 N -0.15 2.71 0.07 -1.59 1.01 -0.33 -4.35 120.40 117.78 1it9 s VAL 5 Ca -0.02 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1it9 s VAL 5 Cb -0.12 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1it9 s VAL 5 CO 0.03 0.46 0.14 -1.10 0.00 0.00 0.00 175.10 174.63 1it9 s GLN 6 N 1.38 3.13 1.03 2.72 -0.21 -1.26 -0.83 119.66 125.62 1it9 s GLN 6 Ca 0.05 -0.59 -0.12 0.00 0.02 0.00 0.00 55.36 54.72 1it9 s GLN 6 Cb -0.14 -2.86 0.21 0.00 1.00 0.00 0.00 33.01 31.22 1it9 s GLN 6 CO -0.08 0.58 1.07 -1.54 -2.12 0.00 0.00 175.29 173.21 1it9 s SER 7 N -2.47 2.12 0.83 5.90 1.04 -0.83 -4.99 113.70 115.29 1it9 s SER 7 Ca 0.32 1.64 -0.11 0.00 0.48 0.00 0.00 55.95 58.28 1it9 s SER 7 Cb -0.12 -2.30 0.09 0.00 0.10 0.00 0.00 66.02 63.78 1it9 s SER 7 CO 0.25 -3.51 1.09 -0.83 0.98 0.00 0.00 173.24 171.22 1it9 s GLY 8 N -2.84 1.63 0.64 7.32 0.00 -1.26 -4.68 107.32 108.13 1it9 s GLY 8 Ca 0.67 -0.05 -0.18 0.00 0.00 0.00 0.00 44.72 45.16 1it9 s GLY 8 CO 0.61 0.38 1.13 0.00 0.00 0.00 0.00 173.10 175.22 1it9 n ALA 9 N -3.62 0.65 -2.65 3.20 0.00 -1.26 -4.77 120.51 112.06 1it9 n ALA 9 Ca 0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 1it9 n ALA 9 Cb 0.55 -2.22 -0.11 0.00 0.00 0.00 0.00 19.45 17.67 1it9 n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1it9 s GLU 10 N -3.13 0.47 -0.11 0.00 2.02 0.52 -4.96 118.70 113.52 1it9 s GLU 10 Ca 0.80 -0.86 0.04 0.00 0.02 0.00 0.00 54.97 54.97 1it9 s GLU 10 Cb -0.39 0.05 0.00 0.00 0.10 0.00 0.00 34.13 33.89 1it9 s GLU 10 CO 0.43 -0.05 -0.23 0.08 0.02 0.00 0.00 175.26 175.51 1it9 s VAL 11 N -2.29 2.09 0.00 2.63 1.01 -1.26 -0.81 120.40 121.77 1it9 s VAL 11 Ca -0.07 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 1it9 s VAL 11 Cb -0.04 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1it9 s VAL 11 CO -0.04 0.56 0.06 -0.54 0.00 0.00 0.00 175.10 175.14 1it9 s LYS 12 N 0.40 0.31 0.52 2.72 -0.14 -0.72 -4.96 119.74 117.85 1it9 s LYS 12 Ca -0.17 -0.34 -0.19 0.00 -1.36 0.00 0.00 55.97 53.91 1it9 s LYS 12 Cb -0.18 0.12 -0.07 0.00 -1.68 0.00 0.00 37.83 36.02 1it9 s LYS 12 CO 0.08 -0.06 1.04 0.15 -0.76 0.00 0.00 175.35 175.80 1it9 s LYS 13 N -1.02 3.67 0.88 1.68 -0.14 -1.26 -2.71 119.74 120.85 1it9 s LYS 13 Ca -0.11 1.30 -0.13 0.00 -1.36 0.00 0.00 55.97 55.67 1it9 s LYS 13 Cb -0.07 -2.08 0.07 0.00 -1.68 0.00 0.00 37.83 34.07 1it9 s LYS 13 CO 0.00 -0.53 0.79 -2.30 -0.76 0.00 0.00 175.35 172.55 1it9 n PRO 14 N -1.28 -0.16 0.00 -1.68 -0.02 -1.26 -2.29 135.00 128.30 1it9 n PRO 14 Ca 0.09 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1it9 n PRO 14 Cb 0.53 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1it9 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1it9 n GLY 15 N 0.99 2.30 0.00 -1.23 0.00 0.39 -4.87 105.19 102.76 1it9 n GLY 15 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1it9 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it9 n ALA 16 N 0.23 0.00 -2.74 4.61 0.00 -0.97 -4.21 120.51 117.44 1it9 n ALA 16 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1it9 n ALA 16 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1it9 n ALA 16 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1it9 s SER 17 N -1.00 0.00 -0.03 0.00 1.04 -1.26 -1.18 113.70 111.27 1it9 s SER 17 Ca 0.00 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 55.90 1it9 s SER 17 Cb 0.00 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.49 1it9 s SER 17 CO 0.00 -0.72 0.10 -0.69 0.98 0.00 0.00 173.24 172.90 1it9 s VAL 18 N -3.54 0.02 -0.29 5.02 1.01 0.02 -5.00 120.40 117.63 1it9 s VAL 18 Ca 0.02 -0.13 -0.03 0.00 0.00 0.00 0.00 61.98 61.84 1it9 s VAL 18 Cb 0.03 -0.18 0.04 0.00 0.00 0.00 0.00 36.38 36.26 1it9 s VAL 18 CO -0.09 -0.07 0.01 -0.75 0.00 0.00 0.00 175.10 174.19 1it9 s LYS 19 N -0.19 2.64 -0.06 2.72 2.20 -1.26 -0.98 119.74 124.80 1it9 s LYS 19 Ca -0.03 -1.13 -0.14 0.00 -0.36 0.00 0.00 55.97 54.31 1it9 s LYS 19 Cb -0.02 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 33.06 1it9 s LYS 19 CO 0.00 -0.54 0.37 0.08 -0.36 0.00 0.00 175.35 174.90 1it9 s VAL 20 N 1.32 5.16 0.07 4.02 1.01 -0.04 -4.94 120.40 126.99 1it9 s VAL 20 Ca -0.02 0.74 0.02 0.00 0.00 0.00 0.00 61.98 62.71 1it9 s VAL 20 Cb -0.19 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1it9 s VAL 20 CO -0.01 0.50 0.11 -0.94 0.00 0.00 0.00 175.10 174.76 1it9 s SER 21 N -0.47 5.76 -0.36 3.32 1.04 -1.26 -2.36 113.70 119.36 1it9 s SER 21 Ca 0.22 0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.75 1it9 s SER 21 Cb -0.15 -1.62 0.15 0.00 0.10 0.00 0.00 66.02 64.50 1it9 s SER 21 CO 0.10 0.18 0.36 0.00 0.98 0.00 0.00 173.24 174.86 1it9 s LYS 23 N 1.51 4.23 0.33 0.00 -2.85 -0.01 -1.04 119.74 121.92 1it9 s LYS 23 Ca 0.16 0.51 -0.01 0.00 -1.00 0.00 0.00 55.97 55.63 1it9 s LYS 23 Cb -0.16 -3.54 -0.04 0.00 -2.06 0.00 0.00 37.83 32.04 1it9 s LYS 23 CO -0.06 -0.12 0.56 0.00 0.10 0.00 0.00 175.35 175.82 1it9 s ALA 24 N 1.52 3.67 0.15 0.59 0.00 -0.77 -1.18 121.76 125.74 1it9 s ALA 24 Ca 0.27 -0.79 -0.20 0.00 0.00 0.00 0.00 51.96 51.24 1it9 s ALA 24 Cb -0.16 -2.19 0.05 0.00 0.00 0.00 0.00 23.12 20.83 1it9 s ALA 24 CO 0.10 0.05 0.51 -1.54 0.00 0.00 0.00 175.76 174.88 1it9 s SER 25 N -3.76 -0.40 0.00 0.00 1.04 -0.88 -4.91 113.70 104.79 1it9 s SER 25 Ca 0.41 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1it9 s SER 25 Cb -0.10 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1it9 s SER 25 CO 0.35 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1it9 n GLY 26 N -0.31 0.82 3.75 7.32 0.00 -1.26 -2.21 105.19 113.29 1it9 n GLY 26 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1it9 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1it9 s TYR 27 N -3.16 -0.22 -1.07 1.61 -0.85 -1.26 -4.48 117.35 107.91 1it9 s TYR 27 Ca 0.00 -0.13 -0.22 0.00 -0.52 0.00 0.00 57.07 56.19 1it9 s TYR 27 Cb 0.00 0.66 0.00 0.00 0.38 0.00 0.00 41.96 43.00 1it9 s TYR 27 CO 0.00 -1.00 1.74 0.99 -1.52 0.00 0.00 175.55 175.76 1it9 s THR 28 N -3.61 3.76 0.19 -3.49 2.01 -1.26 -4.86 115.64 108.38 1it9 s THR 28 Ca 0.10 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.26 1it9 s THR 28 Cb -0.03 -4.71 0.21 0.00 0.01 0.00 0.00 72.50 67.97 1it9 s THR 28 CO 0.02 -1.51 0.86 0.33 -0.69 0.00 0.00 174.62 173.63 1it9 n PHE 29 N 11.20 0.54 0.75 4.92 7.35 -1.26 0.15 117.46 141.10 1it9 n PHE 29 Ca 0.40 0.65 0.12 0.00 -0.76 0.00 0.00 57.45 57.86 1it9 n PHE 29 Cb 0.48 -1.03 0.49 0.00 0.35 0.00 0.00 39.48 39.77 1it9 n PHE 29 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1it9 n THR 30 N -4.39 0.45 1.02 -2.13 -2.24 -1.26 -3.46 114.28 102.27 1it9 n THR 30 Ca 0.18 0.06 0.14 0.00 -2.27 0.00 0.00 64.05 62.16 1it9 n THR 30 Cb 0.61 -0.72 0.62 0.00 -2.10 0.00 0.00 70.33 68.74 1it9 n THR 30 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1it9 n SER 31 N -1.66 0.00 -4.09 3.42 7.64 0.39 -4.28 113.62 115.04 1it9 n SER 31 Ca 0.05 0.46 -0.11 0.00 1.01 0.00 0.00 58.87 60.28 1it9 n SER 31 Cb 0.29 -0.49 -0.11 0.00 -1.01 0.00 0.00 64.21 62.90 1it9 n SER 31 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1it9 s TYR 32 N -2.97 0.68 0.53 1.43 2.02 -1.22 -5.11 117.35 112.71 1it9 s TYR 32 Ca 0.15 -0.69 -0.12 0.00 -0.37 0.00 0.00 57.07 56.04 1it9 s TYR 32 Cb 0.19 -0.42 -0.06 0.00 -0.40 0.00 0.00 41.96 41.28 1it9 s TYR 32 CO 0.52 -0.14 0.94 -1.58 -1.57 0.00 0.00 175.55 173.72 1it9 s TRP 33 N -2.33 3.53 -0.11 2.71 0.52 -1.26 -4.40 118.94 117.60 1it9 s TRP 33 Ca -0.02 1.26 -0.00 0.00 0.02 0.00 0.00 56.10 57.36 1it9 s TRP 33 Cb -0.03 -2.65 -0.02 0.00 -1.15 0.00 0.00 33.47 29.61 1it9 s TRP 33 CO -0.02 -0.42 -0.09 1.41 0.02 0.00 0.00 176.95 177.85 1it9 s MET 34 N -4.48 3.14 -0.08 4.98 1.75 -0.02 -1.31 119.30 123.28 1it9 s MET 34 Ca 0.55 -0.60 -0.01 0.00 -1.25 0.00 0.00 55.69 54.38 1it9 s MET 34 Cb -0.10 -2.65 -0.03 0.00 2.84 0.00 0.00 34.83 34.88 1it9 s MET 34 CO 0.40 0.41 -0.04 -0.65 -0.65 0.00 0.00 175.02 174.50 1it9 s GLN 35 N -0.15 2.91 -0.18 4.11 -1.52 0.20 -1.65 119.66 123.39 1it9 s GLN 35 Ca 0.01 -0.49 0.01 0.00 -1.95 0.00 0.00 55.36 52.94 1it9 s GLN 35 Cb -0.13 -2.70 0.02 0.00 -0.22 0.00 0.00 33.01 29.98 1it9 s GLN 35 CO 0.03 0.65 -0.20 -1.58 -0.25 0.00 0.00 175.29 173.94 1it9 s TRP 36 N -0.76 2.79 0.09 0.91 0.52 -0.88 0.12 118.94 121.73 1it9 s TRP 36 Ca 0.12 -1.67 0.10 0.00 0.02 0.00 0.00 56.10 54.67 1it9 s TRP 36 Cb -0.11 -1.92 -0.03 0.00 -1.15 0.00 0.00 33.47 30.25 1it9 s TRP 36 CO 0.02 -0.81 -0.24 0.08 0.02 0.00 0.00 176.95 176.01 1it9 s VAL 37 N 1.29 2.37 -0.01 4.03 1.01 0.20 -0.52 120.40 128.76 1it9 s VAL 37 Ca 0.05 -1.52 0.08 0.00 0.00 0.00 0.00 61.98 60.58 1it9 s VAL 37 Cb -0.13 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1it9 s VAL 37 CO -0.13 0.22 -0.24 -0.75 0.00 0.00 0.00 175.10 174.20 1it9 s LYS 38 N -1.70 2.10 -0.32 2.72 2.20 0.41 0.76 119.74 125.91 1it9 s LYS 38 Ca 0.14 -0.94 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 1it9 s LYS 38 Cb -0.10 -2.08 0.10 0.00 -1.51 0.00 0.00 37.83 34.24 1it9 s LYS 38 CO 0.05 0.56 0.11 -1.14 -0.36 0.00 0.00 175.35 174.57 1it9 s GLN 39 N -0.80 0.71 0.61 4.03 0.74 -0.08 -0.68 119.66 124.19 1it9 s GLN 39 Ca 0.11 -1.12 -0.19 0.00 0.05 0.00 0.00 55.36 54.21 1it9 s GLN 39 Cb -0.10 -1.93 -0.03 0.00 1.10 0.00 0.00 33.01 32.05 1it9 s GLN 39 CO 0.00 -1.01 1.28 0.00 -0.55 0.00 0.00 175.29 175.01 1it9 s ALA 40 N 1.53 2.52 0.15 1.58 0.00 -1.26 -1.38 121.76 124.91 1it9 s ALA 40 Ca 0.11 1.17 -0.32 0.00 0.00 0.00 0.00 51.96 52.92 1it9 s ALA 40 Cb -0.18 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.30 1it9 s ALA 40 CO -0.23 -1.41 1.73 -2.30 0.00 0.00 0.00 175.76 173.54 1it9 n PRO 41 N -1.62 2.57 0.00 0.00 -0.02 -1.26 -1.47 135.00 133.20 1it9 n PRO 41 Ca 0.14 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1it9 n PRO 41 Cb 0.48 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1it9 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1it9 n GLY 42 N 3.92 2.94 1.03 -1.23 0.00 -1.26 -4.98 105.19 105.61 1it9 n GLY 42 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1it9 n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1it9 n GLN 43 N -1.60 0.33 -0.77 1.61 1.13 -0.54 -5.12 117.38 112.42 1it9 n GLN 43 Ca 0.00 -0.70 0.00 0.00 -1.94 0.00 0.00 57.00 54.36 1it9 n GLN 43 Cb 0.00 -0.20 0.00 0.00 0.11 0.00 0.00 30.24 30.15 1it9 n GLN 43 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1it9 n GLY 44 N 2.93 1.68 3.78 1.08 0.00 -1.26 -4.65 105.19 108.75 1it9 n GLY 44 Ca 0.04 -2.08 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 1it9 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1it9 s LEU 45 N 0.00 4.31 -0.04 0.99 1.43 -1.26 -4.05 118.68 120.07 1it9 s LEU 45 Ca 0.00 1.90 -0.02 0.00 -1.03 0.00 0.00 54.13 54.98 1it9 s LEU 45 Cb 0.00 -4.03 0.03 0.00 0.03 0.00 0.00 46.19 42.22 1it9 s LEU 45 CO 0.00 -0.15 0.06 -0.70 0.23 0.00 0.00 176.35 175.79 1it9 s GLU 46 N -2.11 -0.07 0.07 1.70 2.12 0.14 -4.98 118.70 115.58 1it9 s GLU 46 Ca 0.51 0.36 -0.31 0.00 0.36 0.00 0.00 54.97 55.90 1it9 s GLU 46 Cb -0.20 -0.47 -0.06 0.00 0.26 0.00 0.00 34.13 33.66 1it9 s GLU 46 CO 0.25 -0.31 1.26 -0.46 -0.54 0.00 0.00 175.26 175.47 1it9 s TRP 47 N 2.03 3.36 -0.26 5.30 -0.00 -1.26 -0.44 118.94 127.66 1it9 s TRP 47 Ca 0.03 1.18 -0.13 0.00 -0.00 0.00 0.00 56.10 57.19 1it9 s TRP 47 Cb -0.12 -3.50 -0.14 0.00 -0.00 0.00 0.00 33.47 29.71 1it9 s TRP 47 CO -0.03 -1.64 -0.25 -1.33 -0.00 0.00 0.00 176.95 173.70 1it9 n MET 48 N 4.00 0.60 -3.07 5.86 2.81 0.32 -4.65 117.12 122.99 1it9 n MET 48 Ca 0.10 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.27 1it9 n MET 48 Cb 0.45 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 1it9 n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1it9 n GLY 49 N 1.42 -1.21 3.05 3.03 0.00 -1.19 0.10 105.19 110.39 1it9 n GLY 49 Ca -0.50 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 44.43 1it9 n GLY 49 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1it9 s GLU 50 N -1.75 0.48 -0.02 1.61 -1.05 0.85 -2.08 118.70 116.74 1it9 s GLU 50 Ca 0.00 -0.87 -0.02 0.00 -0.15 0.00 0.00 54.97 53.93 1it9 s GLU 50 Cb 0.00 0.17 0.01 0.00 -0.44 0.00 0.00 34.13 33.87 1it9 s GLU 50 CO 0.00 -0.09 0.05 -1.50 0.95 0.00 0.00 175.26 174.67 1it9 s ILE 51 N -2.62 -0.01 -0.58 1.83 2.07 -0.66 -1.11 121.20 120.12 1it9 s ILE 51 Ca -0.05 0.04 -0.16 0.00 -1.41 0.00 0.00 60.65 59.07 1it9 s ILE 51 Cb -0.01 -0.09 0.14 0.00 0.13 0.00 0.00 42.46 42.63 1it9 s ILE 51 CO -0.05 0.02 0.54 -0.62 -1.91 0.00 0.00 174.94 172.91 1it9 s ASP 52 N 0.25 6.27 0.51 4.50 -1.08 0.60 -0.84 116.67 126.87 1it9 s ASP 52 Ca -0.02 -1.92 0.27 0.00 -0.52 0.00 0.00 52.55 50.37 1it9 s ASP 52 Cb -0.03 -2.21 1.49 0.00 -1.46 0.00 0.00 42.92 40.72 1it9 s ASP 52 CO -0.01 -0.82 1.82 1.55 0.52 0.00 0.00 175.17 178.23 1it9 h PRO 53 N 8.73 0.00 -0.01 4.34 0.13 -1.87 0.50 132.00 143.82 1it9 h PRO 53 Ca -0.24 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1it9 h PRO 53 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1it9 h PRO 53 CO 1.00 0.00 -0.16 0.66 -0.23 0.00 0.00 178.00 179.27 1it9 h SER 54 N 0.00 0.16 -0.04 1.44 4.64 -1.90 -3.37 113.55 114.47 1it9 h SER 54 Ca 0.00 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 1it9 h SER 54 Cb 0.36 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1it9 h SER 54 CO 0.00 0.88 0.00 -0.90 -0.87 0.00 0.00 176.83 175.94 1it9 n ASP 55 N -4.58 1.68 -0.82 4.97 5.68 -1.15 -5.02 116.55 117.31 1it9 n ASP 55 Ca -0.09 -1.39 -0.09 0.00 -0.50 0.00 0.00 54.79 52.72 1it9 n ASP 55 Cb 0.45 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.38 1it9 n ASP 55 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1it9 n SER 56 N 0.27 -3.65 -4.76 -1.12 7.64 0.17 -5.02 113.62 107.14 1it9 n SER 56 Ca 0.04 0.12 -0.39 0.00 1.01 0.00 0.00 58.87 59.65 1it9 n SER 56 Cb 0.18 -2.36 -0.05 0.00 -1.01 0.00 0.00 64.21 60.97 1it9 n SER 56 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1it9 s TYR 57 N -2.38 3.71 0.33 1.43 5.04 -1.18 -4.78 117.35 119.53 1it9 s TYR 57 Ca 0.00 1.79 0.06 0.00 -2.44 0.00 0.00 57.07 56.48 1it9 s TYR 57 Cb 0.00 -3.07 -0.07 0.00 0.35 0.00 0.00 41.96 39.17 1it9 s TYR 57 CO 0.00 -0.02 -0.01 0.95 -1.34 0.00 0.00 175.55 175.13 1it9 s THR 58 N -1.34 1.67 -0.28 4.34 -4.23 -1.26 -0.29 115.64 114.24 1it9 s THR 58 Ca 0.46 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.85 1it9 s THR 58 Cb -0.25 -2.70 0.15 0.00 1.34 0.00 0.00 72.50 71.04 1it9 s THR 58 CO 0.32 -0.13 0.57 0.21 -0.54 0.00 0.00 174.62 175.05 1it9 s ASN 59 N -3.54 -0.99 0.17 3.99 2.47 -0.27 -4.97 114.94 111.81 1it9 s ASN 59 Ca 0.33 1.06 0.06 0.00 0.42 0.00 0.00 52.86 54.73 1it9 s ASN 59 Cb 0.06 2.01 -0.04 0.00 -1.45 0.00 0.00 41.25 41.83 1it9 s ASN 59 CO 0.15 -0.25 0.11 -0.31 -3.72 0.00 0.00 177.10 173.08 1it9 s TYR 60 N 2.81 3.07 0.02 0.43 2.02 -1.26 -0.11 117.35 124.34 1it9 s TYR 60 Ca 0.08 -0.05 -0.30 0.00 -0.37 0.00 0.00 57.07 56.43 1it9 s TYR 60 Cb -0.14 -1.47 -0.08 0.00 -0.40 0.00 0.00 41.96 39.88 1it9 s TYR 60 CO -0.19 0.52 1.73 1.21 -1.57 0.00 0.00 175.55 177.25 1it9 s ASN 61 N -3.12 6.58 0.36 2.29 3.84 0.28 -4.78 114.94 120.40 1it9 s ASN 61 Ca 0.30 2.45 0.00 0.00 0.21 0.00 0.00 52.86 55.83 1it9 s ASN 61 Cb -0.10 -2.55 0.01 0.00 -0.55 0.00 0.00 41.25 38.07 1it9 s ASN 61 CO 0.22 -0.94 0.78 1.56 -2.79 0.00 0.00 177.10 175.94 1it9 h GLN 62 N 9.24 0.00 0.00 0.43 4.20 -1.95 0.36 115.11 127.40 1it9 h GLN 62 Ca -0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1it9 h GLN 62 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1it9 h GLN 62 CO 0.94 0.00 -1.11 1.17 -0.67 0.00 0.00 178.83 179.16 1it9 n LYS 63 N -1.83 0.09 -0.04 1.46 4.81 -1.26 -4.27 118.16 117.12 1it9 n LYS 63 Ca -0.00 -0.03 0.07 0.00 -0.87 0.00 0.00 58.31 57.49 1it9 n LYS 63 Cb 0.77 -1.51 0.09 0.00 0.02 0.00 0.00 35.03 34.40 1it9 n LYS 63 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1it9 n PHE 64 N -1.61 0.11 -2.21 5.64 3.01 0.13 -4.97 117.46 117.56 1it9 n PHE 64 Ca 0.03 -0.09 -0.42 0.00 1.01 0.00 0.00 57.45 57.97 1it9 n PHE 64 Cb 0.36 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.80 1it9 n PHE 64 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1it9 s LYS 65 N -1.17 4.26 0.00 -1.08 2.20 -1.19 -2.21 119.74 120.54 1it9 s LYS 65 Ca 0.19 1.97 0.00 0.00 -0.36 0.00 0.00 55.97 57.78 1it9 s LYS 65 Cb 0.13 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1it9 s LYS 65 CO 0.19 -0.63 0.00 0.41 -0.36 0.00 0.00 175.35 174.95 1it9 n GLY 66 N 3.72 0.83 0.28 5.54 0.00 -1.26 -4.86 105.19 109.44 1it9 n GLY 66 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1it9 n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1it9 n LYS 67 N -2.32 0.00 -4.29 1.61 4.81 -1.00 -4.95 118.16 112.03 1it9 n LYS 67 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1it9 n LYS 67 Cb 0.00 -0.58 -0.10 0.00 0.02 0.00 0.00 35.03 34.37 1it9 n LYS 67 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1it9 s ALA 68 N -1.44 3.00 -0.05 3.14 0.00 -0.94 -1.68 121.76 123.80 1it9 s ALA 68 Ca 0.00 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1it9 s ALA 68 Cb 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 23.12 22.16 1it9 s ALA 68 CO 0.00 0.64 0.02 0.99 0.00 0.00 0.00 175.76 177.41 1it9 s THR 69 N -1.16 0.16 -0.15 0.00 2.01 0.10 -4.83 115.64 111.77 1it9 s THR 69 Ca 0.21 0.20 -0.10 0.00 0.31 0.00 0.00 61.69 62.31 1it9 s THR 69 Cb -0.11 -0.33 -0.05 0.00 0.01 0.00 0.00 72.50 72.03 1it9 s THR 69 CO 0.12 0.20 0.17 -0.76 -0.69 0.00 0.00 174.62 173.66 1it9 s LEU 70 N 1.70 4.30 0.08 4.42 1.43 -1.26 -0.35 118.68 129.01 1it9 s LEU 70 Ca -0.00 0.40 -0.09 0.00 -1.03 0.00 0.00 54.13 53.40 1it9 s LEU 70 Cb -0.13 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1it9 s LEU 70 CO -0.03 0.26 0.21 0.42 0.23 0.00 0.00 176.35 177.43 1it9 s THR 71 N -0.21 0.13 0.13 5.49 -4.23 0.49 -4.99 115.64 112.46 1it9 s THR 71 Ca 0.13 -1.09 0.03 0.00 -1.18 0.00 0.00 61.69 59.58 1it9 s THR 71 Cb -0.12 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.42 1it9 s THR 71 CO 0.02 -0.60 -0.08 0.68 -0.54 0.00 0.00 174.62 174.10 1it9 s VAL 72 N -3.62 0.93 -0.44 2.29 -7.23 -1.26 0.94 120.40 112.00 1it9 s VAL 72 Ca 0.03 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.22 1it9 s VAL 72 Cb 0.04 -1.81 0.14 0.00 0.56 0.00 0.00 36.38 35.30 1it9 s VAL 72 CO -0.10 -0.77 0.25 -0.62 -0.31 0.00 0.00 175.10 173.55 1it9 s ASP 73 N -3.12 3.58 0.41 4.85 -1.08 0.11 -4.97 116.67 116.45 1it9 s ASP 73 Ca 0.15 -2.67 0.13 0.00 -0.52 0.00 0.00 52.55 49.65 1it9 s ASP 73 Cb 0.04 -1.01 0.97 0.00 -1.46 0.00 0.00 42.92 41.46 1it9 s ASP 73 CO -0.01 -0.26 1.95 0.71 0.52 0.00 0.00 175.17 178.07 1it9 h THR 74 N 5.19 0.88 0.00 1.71 1.35 -1.89 0.49 112.91 120.64 1it9 h THR 74 Ca 0.01 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 65.68 1it9 h THR 74 Cb 0.92 0.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1it9 h THR 74 CO 0.48 0.09 -0.09 0.77 -0.25 0.00 0.00 175.52 176.52 1it9 h SER 75 N 0.50 0.00 -0.02 5.36 4.64 -1.96 -2.61 113.55 119.45 1it9 h SER 75 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1it9 h SER 75 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1it9 h SER 75 CO -0.11 0.09 0.00 0.35 -0.87 0.00 0.00 176.83 176.29 1it9 n THR 76 N -4.26 0.53 -3.67 2.95 -2.24 -0.60 -5.02 114.28 101.97 1it9 n THR 76 Ca -0.03 -0.77 -0.31 0.00 -2.27 0.00 0.00 64.05 60.68 1it9 n THR 76 Cb 0.17 0.75 0.04 0.00 -2.10 0.00 0.00 70.33 69.19 1it9 n THR 76 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1it9 n SER 77 N -0.16 -5.41 -3.84 3.42 7.64 0.16 -4.81 113.62 110.63 1it9 n SER 77 Ca 0.01 -0.99 -0.13 0.00 1.01 0.00 0.00 58.87 58.78 1it9 n SER 77 Cb 0.16 -3.36 -0.14 0.00 -1.01 0.00 0.00 64.21 59.87 1it9 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1it9 s THR 78 N -3.43 -0.01 0.15 0.44 2.01 -0.86 -1.84 115.64 112.10 1it9 s THR 78 Ca 0.45 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.50 1it9 s THR 78 Cb -0.16 -0.09 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 1it9 s THR 78 CO 0.86 0.01 0.29 0.00 -0.69 0.00 0.00 174.62 175.10 1it9 s ALA 79 N 0.21 3.96 -0.02 7.40 0.00 -0.20 0.04 121.76 133.13 1it9 s ALA 79 Ca -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1it9 s ALA 79 Cb -0.02 -1.81 0.02 0.00 0.00 0.00 0.00 23.12 21.31 1it9 s ALA 79 CO -0.01 0.53 0.00 0.71 0.00 0.00 0.00 175.76 177.00 1it9 s TYR 80 N -1.75 0.23 -0.09 0.00 2.02 0.27 -1.94 117.35 116.09 1it9 s TYR 80 Ca 0.35 0.02 0.04 0.00 -0.37 0.00 0.00 57.07 57.12 1it9 s TYR 80 Cb -0.11 -0.32 -0.00 0.00 -0.40 0.00 0.00 41.96 41.12 1it9 s TYR 80 CO 0.29 -0.10 -0.24 1.41 -1.57 0.00 0.00 175.55 175.34 1it9 s MET 81 N 0.85 2.84 -0.15 -0.62 -2.45 -1.00 -0.38 119.30 118.40 1it9 s MET 81 Ca -0.08 -0.86 0.02 0.00 -1.25 0.00 0.00 55.69 53.52 1it9 s MET 81 Cb -0.11 -2.21 0.01 0.00 1.25 0.00 0.00 34.83 33.76 1it9 s MET 81 CO -0.02 0.23 -0.21 -2.00 1.05 0.00 0.00 175.02 174.07 1it9 s GLU 82 N 0.21 2.98 -0.09 4.11 2.12 0.53 -0.87 118.70 127.69 1it9 s GLU 82 Ca -0.15 -0.84 -0.03 0.00 0.36 0.00 0.00 54.97 54.32 1it9 s GLU 82 Cb -0.17 -2.45 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 1it9 s GLU 82 CO 0.07 -0.07 0.04 -0.51 -0.54 0.00 0.00 175.26 174.24 1it9 s LEU 83 N 0.96 3.78 0.16 2.70 1.43 -0.16 0.01 118.68 127.56 1it9 s LEU 83 Ca -0.03 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1it9 s LEU 83 Cb -0.15 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1it9 s LEU 83 CO -0.05 0.39 -0.02 -0.94 0.23 0.00 0.00 176.35 175.96 1it9 s SER 84 N -0.92 1.28 -1.22 2.29 1.04 -0.67 -0.80 113.70 114.70 1it9 s SER 84 Ca 0.14 -1.13 -0.05 0.00 0.48 0.00 0.00 55.95 55.38 1it9 s SER 84 Cb -0.11 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 1it9 s SER 84 CO 0.03 -0.53 0.78 -1.20 0.98 0.00 0.00 173.24 173.30 1it9 n SER 85 N -0.21 -3.03 -4.71 7.02 7.64 -0.32 -4.89 113.62 115.11 1it9 n SER 85 Ca -0.08 -0.82 -0.35 0.00 1.01 0.00 0.00 58.87 58.63 1it9 n SER 85 Cb 0.63 -4.22 0.10 0.00 -1.01 0.00 0.00 64.21 59.70 1it9 n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1it9 s LEU 86 N -6.38 3.36 0.25 -3.43 1.43 -0.54 -4.66 118.68 108.70 1it9 s LEU 86 Ca 0.18 2.49 -0.08 0.00 -1.03 0.00 0.00 54.13 55.68 1it9 s LEU 86 Cb -0.04 -4.60 -0.01 0.00 0.03 0.00 0.00 46.19 41.56 1it9 s LEU 86 CO 0.80 -2.33 0.39 -0.13 0.23 0.00 0.00 176.35 175.31 1it9 s ARG 87 N -3.76 1.52 0.31 1.70 0.52 -1.26 -0.47 118.95 117.50 1it9 s ARG 87 Ca 0.78 -1.43 0.03 0.00 -0.52 0.00 0.00 55.73 54.59 1it9 s ARG 87 Cb -0.33 0.41 0.62 0.00 0.52 0.00 0.00 34.95 36.17 1it9 s ARG 87 CO 0.45 -0.60 1.86 0.77 0.02 0.00 0.00 175.30 177.80 1it9 h SER 88 N 2.33 0.85 -0.98 0.23 0.02 -1.97 -1.37 113.55 112.66 1it9 h SER 88 Ca -0.29 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 60.82 1it9 h SER 88 Cb 1.25 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 63.57 1it9 h SER 88 CO 0.40 0.47 0.62 -0.33 -1.14 0.00 0.00 176.83 176.85 1it9 h GLU 89 N 0.92 0.90 0.00 3.45 4.39 -1.96 -1.74 114.58 120.54 1it9 h GLU 89 Ca 0.46 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1it9 h GLU 89 Cb 0.49 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1it9 h GLU 89 CO -0.23 0.60 0.00 -0.25 -1.16 0.00 0.00 179.01 177.97 1it9 n ASP 90 N -4.60 0.00 -4.64 1.42 8.00 -0.52 -4.67 116.55 111.55 1it9 n ASP 90 Ca 0.18 -0.17 -0.43 0.00 0.71 0.00 0.00 54.79 55.08 1it9 n ASP 90 Cb 0.37 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.45 1it9 n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1it9 s THR 91 N -2.00 4.20 0.01 -3.53 2.01 -0.66 -4.87 115.64 110.80 1it9 s THR 91 Ca 0.07 1.37 -0.29 0.00 0.31 0.00 0.00 61.69 63.15 1it9 s THR 91 Cb 0.03 -4.15 0.11 0.00 0.01 0.00 0.00 72.50 68.50 1it9 s THR 91 CO 0.06 -0.42 1.23 0.00 -0.69 0.00 0.00 174.62 174.80 1it9 s ALA 92 N 4.17 -2.15 -0.09 7.40 0.00 -1.17 -4.16 121.76 125.77 1it9 s ALA 92 Ca 0.55 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.93 1it9 s ALA 92 Cb -0.17 0.42 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 1it9 s ALA 92 CO 0.21 -1.06 0.45 0.08 0.00 0.00 0.00 175.76 175.44 1it9 s VAL 93 N -2.56 5.15 -0.18 0.00 1.01 -0.48 -2.31 120.40 121.03 1it9 s VAL 93 Ca 0.14 0.90 -0.05 0.00 0.00 0.00 0.00 61.98 62.96 1it9 s VAL 93 Cb 0.04 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1it9 s VAL 93 CO -0.03 0.40 0.01 -0.31 0.00 0.00 0.00 175.10 175.17 1it9 s TYR 94 N 0.16 3.09 -0.00 5.22 1.51 0.68 -0.90 117.35 127.11 1it9 s TYR 94 Ca 0.25 -0.25 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 1it9 s TYR 94 Cb -0.15 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1it9 s TYR 94 CO 0.11 -0.06 -0.12 0.71 -1.11 0.00 0.00 175.55 175.08 1it9 s TYR 95 N 0.62 2.74 -0.09 2.71 1.51 0.23 -0.68 117.35 124.39 1it9 s TYR 95 Ca -0.00 -0.13 0.05 0.00 -1.01 0.00 0.00 57.07 55.97 1it9 s TYR 95 Cb -0.14 -1.57 -0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1it9 s TYR 95 CO 0.02 0.29 -0.24 0.00 -1.11 0.00 0.00 175.55 174.51 1it9 s ALA 97 N 0.21 0.60 0.22 0.00 0.00 0.12 -1.03 121.76 121.89 1it9 s ALA 97 Ca -0.15 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 1it9 s ALA 97 Cb -0.17 -0.02 -0.09 0.00 0.00 0.00 0.00 23.12 22.85 1it9 s ALA 97 CO 0.07 0.04 1.14 0.50 0.00 0.00 0.00 175.76 177.51 1it9 s ARG 98 N -1.18 4.57 0.33 0.00 3.52 0.26 -0.62 118.95 125.84 1it9 s ARG 98 Ca -0.06 1.82 -0.10 0.00 -0.13 0.00 0.00 55.73 57.26 1it9 s ARG 98 Cb -0.08 -3.22 -0.07 0.00 -1.56 0.00 0.00 34.95 30.02 1it9 s ARG 98 CO 0.00 0.06 0.68 1.21 -0.81 0.00 0.00 175.30 176.45 1it9 s ASN 99 N -0.33 6.59 -0.09 -2.12 2.47 -0.43 -2.61 114.94 118.41 1it9 s ASN 99 Ca 0.49 1.06 -0.12 0.00 0.42 0.00 0.00 52.86 54.70 1it9 s ASN 99 Cb -0.32 -2.29 0.03 0.00 -1.45 0.00 0.00 41.25 37.23 1it9 s ASN 99 CO 0.38 -0.26 0.32 -0.13 -3.72 0.00 0.00 177.10 173.69 1it9 s ARG 100 N -3.40 0.44 -0.08 0.43 1.81 -0.19 -4.55 118.95 113.42 1it9 s ARG 100 Ca 0.50 0.28 0.03 0.00 -1.72 0.00 0.00 55.73 54.83 1it9 s ARG 100 Cb -0.10 0.21 -0.02 0.00 -0.45 0.00 0.00 34.95 34.59 1it9 s ARG 100 CO 0.26 -0.08 -0.17 0.34 -0.68 0.00 0.00 175.30 174.97 1it9 s ASP 101 N -0.20 3.71 -0.20 0.23 -1.08 -1.26 -1.30 116.67 116.57 1it9 s ASP 101 Ca -0.03 -0.34 -0.04 0.00 -0.52 0.00 0.00 52.55 51.61 1it9 s ASP 101 Cb -0.03 -1.08 0.08 0.00 -1.46 0.00 0.00 42.92 40.42 1it9 s ASP 101 CO 0.01 0.26 0.14 -0.47 0.52 0.00 0.00 175.17 175.63 1it9 s TYR 102 N -0.21 0.04 -1.05 -5.34 6.14 -0.33 -4.91 117.35 111.69 1it9 s TYR 102 Ca -0.00 -0.20 -0.19 0.00 0.64 0.00 0.00 57.07 57.31 1it9 s TYR 102 Cb -0.13 -0.61 0.02 0.00 0.42 0.00 0.00 41.96 41.66 1it9 s TYR 102 CO 0.03 -0.58 0.69 0.43 0.64 0.00 0.00 175.55 176.76 1it9 n SER 103 N 5.29 -4.92 0.00 4.32 7.64 -1.26 -1.20 113.62 123.48 1it9 n SER 103 Ca -0.06 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.77 1it9 n SER 103 Cb 0.48 -2.37 0.00 0.00 -1.01 0.00 0.00 64.21 61.31 1it9 n SER 103 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1it9 n ASN 104 N -2.40 0.00 -4.73 6.43 4.13 -1.26 -4.95 115.26 112.48 1it9 n ASN 104 Ca -0.16 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.70 1it9 n ASN 104 Cb 0.60 -0.58 -0.05 0.00 -1.54 0.00 0.00 39.78 38.22 1it9 n ASN 104 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1it9 s ASN 105 N -1.75 7.19 -0.19 6.41 2.47 -0.34 -5.04 114.94 123.69 1it9 s ASN 105 Ca 0.00 1.43 -0.04 0.00 0.42 0.00 0.00 52.86 54.67 1it9 s ASN 105 Cb 0.00 -2.47 -0.02 0.00 -1.45 0.00 0.00 41.25 37.31 1it9 s ASN 105 CO 0.00 -0.06 -0.03 0.26 -3.72 0.00 0.00 177.10 173.55 1it9 s TRP 106 N 0.30 2.99 0.10 0.43 0.52 -1.26 -1.18 118.94 120.84 1it9 s TRP 106 Ca 0.41 -0.58 0.05 0.00 0.02 0.00 0.00 56.10 56.00 1it9 s TRP 106 Cb -0.20 -2.05 -0.03 0.00 -1.15 0.00 0.00 33.47 30.03 1it9 s TRP 106 CO 0.23 -0.29 -0.13 1.52 0.02 0.00 0.00 176.95 178.30 1it9 s TYR 107 N 0.98 1.24 -0.40 -1.98 -0.85 -0.42 -4.95 117.35 110.96 1it9 s TYR 107 Ca 0.01 -0.55 -0.13 0.00 -0.52 0.00 0.00 57.07 55.87 1it9 s TYR 107 Cb -0.15 -0.67 0.03 0.00 0.38 0.00 0.00 41.96 41.56 1it9 s TYR 107 CO 0.01 0.07 0.27 -0.06 -1.52 0.00 0.00 175.55 174.33 1it9 s PHE 108 N -1.96 3.25 -0.08 -3.49 0.08 -1.26 -1.02 117.98 113.50 1it9 s PHE 108 Ca 0.04 -0.83 -0.10 0.00 0.12 0.00 0.00 56.93 56.17 1it9 s PHE 108 Cb -0.06 -2.62 -0.29 0.00 -0.57 0.00 0.00 43.02 39.48 1it9 s PHE 108 CO 0.02 -0.65 0.54 0.38 -0.10 0.00 0.00 175.22 175.40 1it9 h ASP 109 N 8.56 0.53 -3.33 1.36 2.03 -1.83 -3.46 116.42 120.27 1it9 h ASP 109 Ca -0.26 -0.94 -0.66 0.00 -0.73 0.00 0.00 57.03 54.44 1it9 h ASP 109 Cb 1.11 -0.17 -0.28 0.00 -0.83 0.00 0.00 39.33 39.16 1it9 h ASP 109 CO 0.73 1.82 -0.75 -0.69 -1.03 0.00 0.00 179.24 179.32 1it9 s VAL 110 N -2.57 3.17 0.07 4.15 1.01 -1.26 -4.97 120.40 120.00 1it9 s VAL 110 Ca -0.19 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.27 1it9 s VAL 110 Cb 0.06 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1it9 s VAL 110 CO 0.82 0.47 -0.06 0.26 0.00 0.00 0.00 175.10 176.58 1it9 s TRP 111 N 1.10 2.85 0.55 5.22 0.52 -1.26 0.93 118.94 128.85 1it9 s TRP 111 Ca 0.01 -0.09 -0.07 0.00 0.02 0.00 0.00 56.10 55.97 1it9 s TRP 111 Cb -0.15 -1.51 -0.03 0.00 -1.15 0.00 0.00 33.47 30.64 1it9 s TRP 111 CO -0.02 0.42 0.89 0.20 0.02 0.00 0.00 176.95 178.46 1it9 s GLY 112 N -2.01 1.57 0.00 0.98 0.00 -0.20 -4.64 107.32 103.02 1it9 s GLY 112 Ca 0.21 -0.42 0.08 0.00 0.00 0.00 0.00 44.72 44.60 1it9 s GLY 112 CO 0.13 -0.19 1.05 1.18 0.00 0.00 0.00 173.10 175.27 1it9 n GLU 113 N -2.49 0.17 0.00 2.90 4.71 -1.26 -4.72 120.64 119.95 1it9 n GLU 113 Ca 0.03 0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.31 1it9 n GLU 113 Cb 0.55 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.48 1it9 n GLU 113 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1it9 n GLY 114 N -0.56 -2.42 2.96 0.62 0.00 -1.26 -5.00 105.19 99.52 1it9 n GLY 114 Ca 0.05 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 1it9 n GLY 114 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1it9 s THR 115 N -3.60 1.21 -0.02 2.61 2.01 0.15 -4.89 115.64 113.12 1it9 s THR 115 Ca 0.00 -0.42 -0.26 0.00 0.31 0.00 0.00 61.69 61.31 1it9 s THR 115 Cb 0.00 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 1it9 s THR 115 CO 0.00 0.39 0.83 -0.22 -0.69 0.00 0.00 174.62 174.93 1it9 s LEU 116 N 1.47 4.37 -0.19 4.42 2.96 -1.26 -0.23 118.68 130.21 1it9 s LEU 116 Ca 0.02 1.44 0.01 0.00 -0.22 0.00 0.00 54.13 55.37 1it9 s LEU 116 Cb -0.13 -3.32 0.03 0.00 0.50 0.00 0.00 46.19 43.27 1it9 s LEU 116 CO -0.07 -0.15 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.97 1it9 s VAL 117 N 0.72 1.88 -0.28 1.68 1.01 -0.98 -0.35 120.40 124.07 1it9 s VAL 117 Ca 0.44 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1it9 s VAL 117 Cb -0.20 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.37 1it9 s VAL 117 CO 0.23 0.34 0.06 -0.89 0.00 0.00 0.00 175.10 174.85 1it9 s THR 118 N 1.33 3.94 -0.73 3.92 2.01 0.01 -3.01 115.64 123.11 1it9 s THR 118 Ca 0.01 -0.60 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 1it9 s THR 118 Cb -0.15 -2.98 0.14 0.00 0.01 0.00 0.00 72.50 69.52 1it9 s THR 118 CO -0.10 0.15 0.80 -0.69 -0.69 0.00 0.00 174.62 174.09 1it9 s VAL 119 N 1.51 5.05 0.01 3.82 1.01 -1.26 -1.76 120.40 128.77 1it9 s VAL 119 Ca 0.03 -1.56 -0.05 0.00 0.00 0.00 0.00 61.98 60.40 1it9 s VAL 119 Cb -0.17 -4.54 -0.01 0.00 0.00 0.00 0.00 36.38 31.67 1it9 s VAL 119 CO 0.02 -1.17 0.08 -0.55 0.00 0.00 0.00 175.10 173.48 1it9 s SER 120 N 3.22 0.09 0.00 3.32 0.15 -1.10 -4.54 113.70 114.85 1it9 s SER 120 Ca 0.17 -0.29 0.21 0.00 0.70 0.00 0.00 55.95 56.74 1it9 s SER 120 Cb -0.17 0.17 0.53 0.00 -1.71 0.00 0.00 66.02 64.84 1it9 s SER 120 CO -0.02 -0.34 1.45 -1.54 1.20 0.00 0.00 173.24 174.00 1it9 n SER 121 N 1.55 3.13 -3.58 5.45 3.41 -1.26 -4.08 113.62 118.25 1it9 n SER 121 Ca -0.23 -1.95 -0.30 0.00 -0.26 0.00 0.00 58.87 56.13 1it9 n SER 121 Cb 0.55 -0.29 0.28 0.00 -0.26 0.00 0.00 64.21 64.49 1it9 n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1it9 s ALA 122 N -1.42 -0.58 0.01 7.33 0.00 -1.26 -5.03 121.76 120.82 1it9 s ALA 122 Ca 0.39 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.65 1it9 s ALA 122 Cb 0.22 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.35 1it9 s ALA 122 CO 0.30 -4.43 -0.21 -1.54 0.00 0.00 0.00 175.76 169.87 1it9 s SER 123 N -3.17 2.50 -0.66 0.00 1.04 -1.26 -5.02 113.70 107.12 1it9 s SER 123 Ca 0.69 -0.44 -0.23 0.00 0.48 0.00 0.00 55.95 56.45 1it9 s SER 123 Cb -0.14 -0.25 -0.22 0.00 0.10 0.00 0.00 66.02 65.51 1it9 s SER 123 CO 0.58 0.22 1.78 0.41 0.98 0.00 0.00 173.24 177.21 1it9 n THR 124 N 2.28 0.00 -3.99 2.02 -1.04 -1.26 -4.66 114.28 107.62 1it9 n THR 124 Ca -0.16 -0.09 -0.31 0.00 -2.04 0.00 0.00 64.05 61.44 1it9 n THR 124 Cb 0.53 -1.62 -0.05 0.00 -1.82 0.00 0.00 70.33 67.36 1it9 n THR 124 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1it9 s LYS 125 N 7.49 3.17 0.76 -2.82 2.20 -0.84 -4.75 119.74 124.94 1it9 s LYS 125 Ca 0.64 -0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 55.60 1it9 s LYS 125 Cb 0.00 -2.90 0.05 0.00 -1.51 0.00 0.00 37.83 33.47 1it9 s LYS 125 CO 0.19 0.60 1.09 0.20 -0.36 0.00 0.00 175.35 177.07 1it9 s GLY 126 N -2.33 1.63 0.37 5.54 0.00 -1.26 -2.00 107.32 109.28 1it9 s GLY 126 Ca 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 44.72 44.82 1it9 s GLY 126 CO 0.23 0.22 0.63 2.56 0.00 0.00 0.00 173.10 176.74 1it9 s PRO 127 N -5.17 3.56 0.03 2.90 0.04 -1.26 -4.48 135.00 130.62 1it9 s PRO 127 Ca 0.60 -0.05 0.08 0.00 0.04 0.00 0.00 61.00 61.67 1it9 s PRO 127 Cb -0.14 -2.56 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 1it9 s PRO 127 CO 0.54 0.05 -0.24 -1.12 0.04 0.00 0.00 177.00 176.27 1it9 s SER 128 N -3.78 2.91 -0.19 6.66 0.01 -1.13 -5.00 113.70 113.17 1it9 s SER 128 Ca 0.44 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 57.17 1it9 s SER 128 Cb -0.10 -0.27 0.03 0.00 0.21 0.00 0.00 66.02 65.89 1it9 s SER 128 CO 0.37 0.24 -0.16 -0.69 0.41 0.00 0.00 173.24 173.41 1it9 s VAL 129 N -0.75 1.92 -0.33 3.43 1.01 -1.25 -0.85 120.40 123.58 1it9 s VAL 129 Ca 0.10 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 1it9 s VAL 129 Cb -0.10 -1.83 0.06 0.00 0.00 0.00 0.00 36.38 34.51 1it9 s VAL 129 CO 0.01 0.38 0.06 -0.36 0.00 0.00 0.00 175.10 175.19 1it9 s PHE 130 N 1.31 3.32 0.19 5.22 0.08 0.15 -4.90 117.98 123.35 1it9 s PHE 130 Ca 0.02 -1.89 -0.31 0.00 0.12 0.00 0.00 56.93 54.88 1it9 s PHE 130 Cb -0.15 -2.35 -0.16 0.00 -0.57 0.00 0.00 43.02 39.80 1it9 s PHE 130 CO -0.11 -0.82 0.85 -2.30 -0.10 0.00 0.00 175.22 172.74 1it9 n PRO 131 N 4.65 0.57 -3.22 0.24 -0.02 -1.26 -2.45 135.00 133.52 1it9 n PRO 131 Ca -0.11 0.20 -0.40 0.00 -2.02 0.00 0.00 63.50 61.17 1it9 n PRO 131 Cb 0.43 -1.46 -0.02 0.00 -0.02 0.00 0.00 33.50 32.43 1it9 n PRO 131 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1it9 n LEU 132 N 1.76 5.56 -4.52 2.45 4.77 0.14 -4.86 117.00 122.30 1it9 n LEU 132 Ca 0.16 -5.21 -0.59 0.00 -0.03 0.00 0.00 56.01 50.34 1it9 n LEU 132 Cb 0.24 -1.20 -0.08 0.00 -2.33 0.00 0.00 43.42 40.06 1it9 n LEU 132 CO 0.59 1.67 0.63 0.00 -1.33 0.00 0.00 177.39 178.95 1it9 n ALA 133 N 1.63 -3.26 -2.49 -1.18 0.00 -1.26 -3.37 120.51 110.58 1it9 n ALA 133 Ca 0.26 0.59 -0.43 0.00 0.00 0.00 0.00 53.44 53.86 1it9 n ALA 133 Cb 0.36 -1.80 -0.02 0.00 0.00 0.00 0.00 19.45 17.98 1it9 n ALA 133 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1it9 s PRO 134 N 0.18 4.29 2.19 0.00 0.04 -1.26 -4.88 135.00 135.56 1it9 s PRO 134 Ca 0.91 1.61 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1it9 s PRO 134 Cb -1.24 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 29.64 1it9 s PRO 134 CO 0.57 -0.57 0.00 0.43 0.04 0.00 0.00 177.00 177.46 1it9 n SER 135 N 5.94 -1.37 0.00 6.66 7.64 -1.26 -4.80 113.62 126.43 1it9 n SER 135 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1it9 n SER 135 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1it9 n SER 135 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1it9 n SER 136 N -1.03 0.00 -1.28 6.43 7.64 -1.26 -4.95 113.62 119.16 1it9 n SER 136 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1it9 n SER 136 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1it9 n SER 136 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1it9 n LYS 137 N 0.00 0.00 -0.00 1.43 4.81 -1.26 -5.05 118.16 118.09 1it9 n LYS 137 Ca 0.00 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1it9 n LYS 137 Cb 0.00 -1.28 -0.00 0.00 0.02 0.00 0.00 35.03 33.77 1it9 n LYS 137 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1it9 n SER 138 N -0.81 5.00 0.00 3.14 7.64 -1.26 -5.02 113.62 122.30 1it9 n SER 138 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1it9 n SER 138 Cb 0.39 0.86 0.00 0.00 -1.01 0.00 0.00 64.21 64.45 1it9 n SER 138 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1it9 n THR 139 N -1.64 0.00 -0.03 0.44 -1.04 -1.26 -4.80 114.28 105.95 1it9 n THR 139 Ca -0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1it9 n THR 139 Cb 0.14 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 1it9 n THR 139 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1it9 n SER 140 N 0.00 0.00 0.00 8.00 7.64 -1.26 -4.38 113.62 123.62 1it9 n SER 140 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1it9 n SER 140 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1it9 n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1it9 n GLY 141 N 0.70 0.37 0.00 0.23 0.00 -1.26 -4.96 105.19 100.27 1it9 n GLY 141 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1it9 n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1it9 n GLY 142 N 0.00 2.24 3.56 -0.02 0.00 -1.26 -5.12 105.19 104.59 1it9 n GLY 142 Ca 0.00 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 1it9 n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1it9 s THR 143 N 0.00 3.38 0.19 2.61 2.01 -1.26 -1.50 115.64 121.07 1it9 s THR 143 Ca 0.00 -1.05 0.07 0.00 0.31 0.00 0.00 61.69 61.02 1it9 s THR 143 Cb 0.00 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.95 1it9 s THR 143 CO 0.00 0.26 -0.13 0.00 -0.69 0.00 0.00 174.62 174.06 1it9 s ALA 144 N -1.08 1.90 -0.02 7.40 0.00 0.95 -4.65 121.76 126.26 1it9 s ALA 144 Ca 0.19 -1.63 0.03 0.00 0.00 0.00 0.00 51.96 50.55 1it9 s ALA 144 Cb -0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 1it9 s ALA 144 CO 0.10 0.02 -0.11 0.00 0.00 0.00 0.00 175.76 175.77 1it9 s ALA 145 N -3.06 1.02 0.00 0.00 0.00 -1.26 -0.59 121.76 117.87 1it9 s ALA 145 Ca 0.21 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1it9 s ALA 145 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1it9 s ALA 145 CO 0.06 0.20 0.00 1.28 0.00 0.00 0.00 175.76 177.30 1it9 n LEU 146 N 3.08 0.00 0.00 0.00 4.77 -1.25 -4.36 117.00 119.24 1it9 n LEU 146 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1it9 n LEU 146 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1it9 n LEU 146 CO 0.25 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1it9 n GLY 147 N 4.63 3.73 3.26 -0.72 0.00 -1.22 -4.28 105.19 110.59 1it9 n GLY 147 Ca 0.00 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 1it9 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it9 s LEU 149 N -0.77 3.57 -0.83 0.00 2.96 -1.02 -2.04 118.68 120.55 1it9 s LEU 149 Ca 0.09 -0.76 -0.15 0.00 -0.22 0.00 0.00 54.13 53.09 1it9 s LEU 149 Cb -0.09 -1.79 0.20 0.00 0.50 0.00 0.00 46.19 45.01 1it9 s LEU 149 CO 0.00 -0.16 0.81 -0.69 -1.32 0.00 0.00 176.35 174.99 1it9 s VAL 150 N 1.43 5.45 -0.04 1.68 1.01 -0.42 -0.67 120.40 128.84 1it9 s VAL 150 Ca 0.02 -2.27 -0.18 0.00 0.00 0.00 0.00 61.98 59.55 1it9 s VAL 150 Cb -0.17 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.65 1it9 s VAL 150 CO -0.00 -1.10 0.48 -0.75 0.00 0.00 0.00 175.10 173.73 1it9 s LYS 151 N 0.64 4.19 0.06 2.72 2.20 -0.03 -1.73 119.74 127.80 1it9 s LYS 151 Ca 0.19 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 1it9 s LYS 151 Cb -0.10 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.88 1it9 s LYS 151 CO -0.08 0.41 0.00 -0.25 -0.36 0.00 0.00 175.35 175.07 1it9 n ASP 152 N 2.74 -6.03 -3.62 1.43 8.00 -0.05 -2.84 116.55 116.17 1it9 n ASP 152 Ca -0.10 1.45 -0.06 0.00 0.71 0.00 0.00 54.79 56.80 1it9 n ASP 152 Cb 0.52 -3.89 -0.02 0.00 -0.02 0.00 0.00 41.12 37.71 1it9 n ASP 152 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1it9 s TYR 153 N -0.37 -0.23 -0.29 1.24 1.13 -1.10 -3.85 117.35 113.88 1it9 s TYR 153 Ca 0.00 0.02 -0.23 0.00 -1.41 0.00 0.00 57.07 55.46 1it9 s TYR 153 Cb 0.00 0.58 0.17 0.00 -1.10 0.00 0.00 41.96 41.62 1it9 s TYR 153 CO 0.00 -0.66 1.26 0.12 -2.51 0.00 0.00 175.55 173.77 1it9 s PHE 154 N -3.16 -0.22 0.00 -3.49 5.36 -0.85 -0.45 117.98 115.18 1it9 s PHE 154 Ca 0.09 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.56 1it9 s PHE 154 Cb -0.01 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 1it9 s PHE 154 CO -0.04 -0.11 0.00 -0.35 -1.46 0.00 0.00 175.22 173.27 1it9 n PRO 155 N 2.20 3.29 -2.89 10.12 -0.04 -1.26 -1.99 135.00 144.43 1it9 n PRO 155 Ca -0.13 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.07 1it9 n PRO 155 Cb 0.57 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1it9 n PRO 155 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1it9 s GLU 156 N 2.70 3.51 0.29 0.54 2.02 -1.26 -4.79 118.70 121.70 1it9 s GLU 156 Ca 0.00 0.00 0.03 0.00 0.02 0.00 0.00 54.97 55.03 1it9 s GLU 156 Cb 0.00 -2.47 0.03 0.00 0.10 0.00 0.00 34.13 31.79 1it9 s GLU 156 CO 0.00 -0.09 0.29 -0.35 0.02 0.00 0.00 175.26 175.13 1it9 n PRO 157 N -2.10 0.96 -4.11 0.39 -0.04 -1.26 -4.98 135.00 123.86 1it9 n PRO 157 Ca -0.01 -1.71 -0.14 0.00 -0.04 0.00 0.00 63.50 61.60 1it9 n PRO 157 Cb 0.56 0.07 -0.13 0.00 -0.04 0.00 0.00 33.50 33.95 1it9 n PRO 157 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1it9 s VAL 158 N -1.19 0.48 -0.11 0.52 -7.23 -1.26 -4.56 120.40 107.05 1it9 s VAL 158 Ca 0.22 -0.64 -0.06 0.00 -1.81 0.00 0.00 61.98 59.69 1it9 s VAL 158 Cb -0.02 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.41 1it9 s VAL 158 CO 0.14 -0.12 0.12 -0.89 -0.31 0.00 0.00 175.10 174.04 1it9 s THR 159 N -0.73 5.31 -0.31 5.32 2.01 -0.87 -4.93 115.64 121.45 1it9 s THR 159 Ca -0.04 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.07 1it9 s THR 159 Cb -0.06 -3.31 0.10 0.00 0.01 0.00 0.00 72.50 69.25 1it9 s THR 159 CO 0.00 0.61 0.13 -0.69 -0.69 0.00 0.00 174.62 173.98 1it9 s VAL 160 N -1.01 0.28 0.70 3.82 1.01 -1.24 -0.80 120.40 123.15 1it9 s VAL 160 Ca 0.15 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.07 1it9 s VAL 160 Cb -0.12 -1.23 0.13 0.00 0.00 0.00 0.00 36.38 35.16 1it9 s VAL 160 CO 0.04 -0.74 0.96 -0.44 0.00 0.00 0.00 175.10 174.91 1it9 s SER 161 N 1.81 4.47 -0.13 3.32 0.01 0.36 -4.86 113.70 118.69 1it9 s SER 161 Ca 0.10 -0.65 -0.06 0.00 1.31 0.00 0.00 55.95 56.65 1it9 s SER 161 Cb -0.17 0.31 0.05 0.00 0.21 0.00 0.00 66.02 66.42 1it9 s SER 161 CO -0.29 -1.80 0.31 0.26 0.41 0.00 0.00 173.24 172.13 1it9 s TRP 162 N -3.02 -0.45 -1.38 2.43 0.52 -1.26 -0.45 118.94 115.33 1it9 s TRP 162 Ca 0.66 1.00 -0.10 0.00 0.02 0.00 0.00 56.10 57.69 1it9 s TRP 162 Cb -0.04 0.12 0.07 0.00 -1.15 0.00 0.00 33.47 32.46 1it9 s TRP 162 CO 0.43 -0.30 0.59 0.09 0.02 0.00 0.00 176.95 177.79 1it9 n ASN 163 N 4.46 -4.19 -2.86 2.95 3.02 0.23 -3.61 115.26 115.26 1it9 n ASN 163 Ca -0.21 -0.46 -0.00 0.00 -0.03 0.00 0.00 54.58 53.88 1it9 n ASN 163 Cb 0.53 -3.43 -0.00 0.00 -0.61 0.00 0.00 39.78 36.26 1it9 n ASN 163 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1it9 n SER 164 N -2.42 -7.36 -1.07 6.41 3.41 -1.26 -4.24 113.62 107.10 1it9 n SER 164 Ca -0.02 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 1it9 n SER 164 Cb 0.55 -4.20 0.00 0.00 -0.26 0.00 0.00 64.21 60.29 1it9 n SER 164 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1it9 n GLY 165 N 0.94 0.00 0.00 5.00 0.00 -1.24 -4.56 105.19 105.33 1it9 n GLY 165 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1it9 n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1it9 n ALA 166 N -0.07 0.08 -3.88 4.61 0.00 -1.26 -5.06 120.51 114.93 1it9 n ALA 166 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1it9 n ALA 166 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1it9 n ALA 166 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1it9 s LEU 167 N 0.00 2.70 0.00 0.00 1.98 -1.24 -4.97 118.68 117.15 1it9 s LEU 167 Ca 0.00 -1.43 0.00 0.00 -2.89 0.00 0.00 54.13 49.81 1it9 s LEU 167 Cb 0.00 -1.11 0.00 0.00 0.66 0.00 0.00 46.19 45.74 1it9 s LEU 167 CO 0.00 -0.32 0.00 0.41 -1.89 0.00 0.00 176.35 174.55 1it9 n THR 168 N 4.69 0.00 -2.60 3.68 -1.04 -1.26 -4.56 114.28 113.20 1it9 n THR 168 Ca -0.06 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.55 1it9 n THR 168 Cb 0.43 0.28 -0.05 0.00 -1.82 0.00 0.00 70.33 69.17 1it9 n THR 168 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1it9 s SER 169 N -1.80 7.32 0.00 8.00 0.01 -1.26 -3.52 113.70 122.45 1it9 s SER 169 Ca 0.00 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.36 1it9 s SER 169 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1it9 s SER 169 CO 0.00 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1it9 n GLY 170 N 1.11 2.41 3.63 3.44 0.00 -1.26 -4.60 105.19 109.92 1it9 n GLY 170 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1it9 n GLY 170 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1it9 n VAL 171 N -1.86 1.53 -3.19 1.61 0.31 -1.23 -3.43 118.33 112.07 1it9 n VAL 171 Ca 0.00 -0.38 -0.19 0.00 -0.01 0.00 0.00 64.34 63.76 1it9 n VAL 171 Cb 0.00 -1.22 -0.06 0.00 -0.91 0.00 0.00 33.84 31.65 1it9 n VAL 171 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1it9 s HIS 172 N -0.65 0.10 -0.27 3.52 3.76 0.56 -4.97 115.29 117.35 1it9 s HIS 172 Ca 0.63 -1.63 -0.28 0.00 -0.15 0.00 0.00 55.06 53.63 1it9 s HIS 172 Cb -0.69 -0.48 0.01 0.00 1.11 0.00 0.00 32.58 32.54 1it9 s HIS 172 CO 0.56 -0.98 0.99 0.99 -0.85 0.00 0.00 174.74 175.44 1it9 s THR 173 N 0.45 4.66 0.30 1.30 2.01 -1.26 -2.57 115.64 120.54 1it9 s THR 173 Ca 0.30 1.75 -0.12 0.00 0.31 0.00 0.00 61.69 63.93 1it9 s THR 173 Cb 0.01 -4.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.14 1it9 s THR 173 CO -0.13 -0.27 0.67 -0.36 -0.69 0.00 0.00 174.62 173.84 1it9 s PHE 174 N 3.26 3.40 0.35 4.92 0.08 -0.24 -5.01 117.98 124.74 1it9 s PHE 174 Ca 0.41 1.06 -0.29 0.00 0.12 0.00 0.00 56.93 58.24 1it9 s PHE 174 Cb -0.14 -2.42 -0.11 0.00 -0.57 0.00 0.00 43.02 39.78 1it9 s PHE 174 CO 0.10 0.13 1.45 -2.14 -0.10 0.00 0.00 175.22 174.66 1it9 s PRO 175 N -3.04 4.18 0.70 0.24 0.02 -1.26 -4.25 135.00 131.59 1it9 s PRO 175 Ca 0.51 2.46 -0.16 0.00 0.02 0.00 0.00 61.00 63.83 1it9 s PRO 175 Cb -0.11 -3.01 0.02 0.00 0.02 0.00 0.00 34.50 31.42 1it9 s PRO 175 CO 0.21 -0.45 1.25 0.00 -0.33 0.00 0.00 177.00 177.68 1it9 s ALA 176 N -0.95 2.21 -0.04 -1.55 0.00 -1.26 -4.84 121.76 115.33 1it9 s ALA 176 Ca 0.53 1.05 0.04 0.00 0.00 0.00 0.00 51.96 53.58 1it9 s ALA 176 Cb -0.45 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.15 1it9 s ALA 176 CO 0.58 -1.78 -0.16 0.08 0.00 0.00 0.00 175.76 174.47 1it9 s VAL 177 N -1.70 1.36 -0.19 0.00 1.01 0.63 -4.92 120.40 116.59 1it9 s VAL 177 Ca 0.78 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.84 1it9 s VAL 177 Cb -0.33 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1it9 s VAL 177 CO 0.43 0.39 0.75 -0.22 0.00 0.00 0.00 175.10 176.45 1it9 s LEU 178 N -0.04 4.16 0.55 3.92 2.96 -1.26 -1.97 118.68 126.99 1it9 s LEU 178 Ca -0.02 1.02 -0.05 0.00 -0.22 0.00 0.00 54.13 54.87 1it9 s LEU 178 Cb -0.10 -3.09 -0.00 0.00 0.50 0.00 0.00 46.19 43.50 1it9 s LEU 178 CO 0.01 -0.35 0.84 -1.10 -1.32 0.00 0.00 176.35 174.43 1it9 s GLN 179 N 2.09 3.09 0.47 1.98 -0.21 -0.14 -4.95 119.66 121.99 1it9 s GLN 179 Ca 0.34 -0.02 0.32 0.00 0.02 0.00 0.00 55.36 56.02 1it9 s GLN 179 Cb -0.16 -2.33 1.58 0.00 1.00 0.00 0.00 33.01 33.09 1it9 s GLN 179 CO 0.11 -0.52 1.97 0.66 -2.12 0.00 0.00 175.29 175.39 1it9 h SER 180 N -0.00 0.00 0.31 5.90 4.64 -1.97 0.62 113.55 123.05 1it9 h SER 180 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1it9 h SER 180 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1it9 h SER 180 CO 0.60 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.02 1it9 n SER 181 N -2.71 0.00 0.00 4.97 3.41 -1.26 -4.80 113.62 113.23 1it9 n SER 181 Ca -0.01 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1it9 n SER 181 Cb 0.15 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1it9 n SER 181 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1it9 n GLY 182 N -0.02 1.51 3.98 5.00 0.00 0.21 -4.96 105.19 110.91 1it9 n GLY 182 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 1it9 n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1it9 s LEU 183 N 0.00 3.32 0.45 0.99 1.43 -1.25 -4.76 118.68 118.86 1it9 s LEU 183 Ca 0.00 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.02 1it9 s LEU 183 Cb 0.00 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1it9 s LEU 183 CO 0.00 -1.14 0.47 -0.31 0.23 0.00 0.00 176.35 175.60 1it9 s TYR 184 N -2.71 2.46 -0.28 0.29 2.02 0.40 -0.96 117.35 118.57 1it9 s TYR 184 Ca 0.58 -0.54 -0.16 0.00 -0.37 0.00 0.00 57.07 56.58 1it9 s TYR 184 Cb -0.10 -2.19 0.08 0.00 -0.40 0.00 0.00 41.96 39.36 1it9 s TYR 184 CO 0.38 -0.34 0.70 0.45 -1.57 0.00 0.00 175.55 175.17 1it9 s SER 185 N -4.26 -0.94 0.14 2.29 0.15 -0.83 -0.88 113.70 109.38 1it9 s SER 185 Ca 0.50 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.64 1it9 s SER 185 Cb -0.05 1.41 -0.04 0.00 -1.71 0.00 0.00 66.02 65.63 1it9 s SER 185 CO 0.29 -0.23 0.03 -0.22 1.20 0.00 0.00 173.24 174.31 1it9 s LEU 186 N 1.67 1.97 0.02 3.45 0.20 -0.70 -0.27 118.68 125.01 1it9 s LEU 186 Ca -0.10 -1.18 -0.01 0.00 0.69 0.00 0.00 54.13 53.54 1it9 s LEU 186 Cb -0.05 0.15 -0.02 0.00 -0.43 0.00 0.00 46.19 45.84 1it9 s LEU 186 CO -0.20 -0.66 -0.02 -0.94 -0.29 0.00 0.00 176.35 174.25 1it9 s SER 187 N -3.09 0.23 -0.03 3.68 1.04 -1.26 -1.31 113.70 112.96 1it9 s SER 187 Ca 0.23 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 56.18 1it9 s SER 187 Cb 0.07 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.32 1it9 s SER 187 CO 0.02 -0.31 -0.03 -0.55 0.98 0.00 0.00 173.24 173.35 1it9 s SER 188 N -1.47 0.64 0.19 7.02 0.15 -0.87 -1.08 113.70 118.30 1it9 s SER 188 Ca -0.16 -0.08 0.09 0.00 0.70 0.00 0.00 55.95 56.50 1it9 s SER 188 Cb -0.10 -0.29 -0.04 0.00 -1.71 0.00 0.00 66.02 63.88 1it9 s SER 188 CO -0.01 -0.06 -0.17 -0.69 1.20 0.00 0.00 173.24 173.52 1it9 s VAL 189 N 0.80 1.86 -0.27 4.45 1.01 -1.06 -0.38 120.40 126.80 1it9 s VAL 189 Ca -0.09 -2.10 -0.03 0.00 0.00 0.00 0.00 61.98 59.76 1it9 s VAL 189 Cb -0.12 -1.98 0.10 0.00 0.00 0.00 0.00 36.38 34.38 1it9 s VAL 189 CO -0.01 -0.44 0.18 -0.69 0.00 0.00 0.00 175.10 174.14 1it9 s VAL 190 N -2.49 -0.20 0.15 2.92 1.01 -1.26 -0.32 120.40 120.20 1it9 s VAL 190 Ca 0.20 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 1it9 s VAL 190 Cb -0.04 -0.90 -0.09 0.00 0.00 0.00 0.00 36.38 35.35 1it9 s VAL 190 CO 0.08 -0.54 1.53 -0.89 0.00 0.00 0.00 175.10 175.27 1it9 s THR 191 N 2.21 2.81 -0.09 3.92 2.01 -1.22 -3.82 115.64 121.47 1it9 s THR 191 Ca 0.08 0.57 -0.07 0.00 0.31 0.00 0.00 61.69 62.58 1it9 s THR 191 Cb -0.15 -3.36 0.03 0.00 0.01 0.00 0.00 72.50 69.02 1it9 s THR 191 CO -0.30 0.04 0.22 -0.69 -0.69 0.00 0.00 174.62 173.20 1it9 s VAL 192 N 1.23 -0.01 0.25 3.82 1.01 0.24 -4.68 120.40 122.26 1it9 s VAL 192 Ca 0.69 0.03 -0.31 0.00 0.00 0.00 0.00 61.98 62.39 1it9 s VAL 192 Cb -0.42 -0.32 -0.13 0.00 0.00 0.00 0.00 36.38 35.51 1it9 s VAL 192 CO 0.31 0.01 1.50 -0.81 0.00 0.00 0.00 175.10 176.11 1it9 n PRO 193 N 3.20 2.29 -0.03 2.72 -0.04 -1.26 -0.03 135.00 141.85 1it9 n PRO 193 Ca -0.15 0.82 0.17 0.00 -0.04 0.00 0.00 63.50 64.30 1it9 n PRO 193 Cb 0.57 -2.53 0.62 0.00 -0.04 0.00 0.00 33.50 32.12 1it9 n PRO 193 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1it9 h SER 194 N 4.67 0.14 0.36 3.54 4.64 -1.53 -1.03 113.55 124.35 1it9 h SER 194 Ca -0.46 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1it9 h SER 194 Cb 1.25 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1it9 h SER 194 CO 0.79 0.08 0.00 -1.20 -0.87 0.00 0.00 176.83 175.63 1it9 n SER 195 N -4.42 0.65 -0.02 4.97 7.64 -1.26 -1.88 113.62 119.29 1it9 n SER 195 Ca 0.10 0.73 0.07 0.00 1.01 0.00 0.00 58.87 60.77 1it9 n SER 195 Cb 0.52 -0.84 -0.15 0.00 -1.01 0.00 0.00 64.21 62.73 1it9 n SER 195 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1it9 n SER 196 N -2.29 0.61 -0.32 6.43 7.64 -0.40 -4.52 113.62 120.77 1it9 n SER 196 Ca 0.00 0.00 0.22 0.00 1.01 0.00 0.00 58.87 60.10 1it9 n SER 196 Cb 0.13 1.74 0.42 0.00 -1.01 0.00 0.00 64.21 65.50 1it9 n SER 196 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1it9 h LEU 197 N 0.00 0.06 0.00 -3.43 5.85 -1.27 0.43 115.31 116.96 1it9 h LEU 197 Ca -0.07 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1it9 h LEU 197 Cb 1.06 0.31 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1it9 h LEU 197 CO 0.00 -0.30 -0.60 1.23 -0.34 0.00 0.00 178.44 178.43 1it9 h GLY 198 N 0.10 0.00 -1.72 3.75 0.00 -1.79 -3.34 103.07 100.07 1it9 h GLY 198 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.03 1it9 h GLY 198 CO -0.76 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 174.48 1it9 n THR 199 N -2.61 0.34 -4.71 4.70 -2.24 0.12 -4.96 114.28 104.92 1it9 n THR 199 Ca 0.02 -0.67 -0.24 0.00 -2.27 0.00 0.00 64.05 60.89 1it9 n THR 199 Cb 0.51 1.08 -0.16 0.00 -2.10 0.00 0.00 70.33 69.67 1it9 n THR 199 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1it9 s GLN 200 N -1.36 1.40 -0.49 -0.78 -1.52 0.67 -5.07 119.66 112.51 1it9 s GLN 200 Ca 0.28 -0.53 -0.14 0.00 -1.95 0.00 0.00 55.36 53.02 1it9 s GLN 200 Cb 0.17 -1.28 0.10 0.00 -0.22 0.00 0.00 33.01 31.78 1it9 s GLN 200 CO 0.24 0.26 0.41 0.99 -0.25 0.00 0.00 175.29 176.94 1it9 s THR 201 N -0.12 4.91 -0.11 -0.19 2.01 -1.26 -4.84 115.64 116.03 1it9 s THR 201 Ca 0.01 -1.41 -0.19 0.00 0.31 0.00 0.00 61.69 60.41 1it9 s THR 201 Cb -0.08 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1it9 s THR 201 CO 0.01 -0.72 0.53 -0.31 -0.69 0.00 0.00 174.62 173.43 1it9 s TYR 202 N 1.55 3.51 -0.15 4.92 2.02 -1.26 -4.90 117.35 123.04 1it9 s TYR 202 Ca 0.04 0.95 -0.02 0.00 -0.37 0.00 0.00 57.07 57.67 1it9 s TYR 202 Cb -0.27 -2.61 0.05 0.00 -0.40 0.00 0.00 41.96 38.73 1it9 s TYR 202 CO 0.03 0.13 0.01 0.42 -1.57 0.00 0.00 175.55 174.57 1it9 s ILE 203 N 0.74 0.58 -0.20 2.71 1.01 -1.26 -1.25 121.20 123.54 1it9 s ILE 203 Ca 0.28 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.35 1it9 s ILE 203 Cb -0.16 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 1it9 s ILE 203 CO 0.12 0.01 0.78 0.00 0.00 0.00 0.00 174.94 175.85 1it9 s ASN 205 N 1.23 6.24 -0.10 0.00 0.02 0.40 -3.09 114.94 119.63 1it9 s ASN 205 Ca 0.35 0.20 -0.03 0.00 -1.02 0.00 0.00 52.86 52.36 1it9 s ASN 205 Cb -0.16 -2.21 -0.03 0.00 0.02 0.00 0.00 41.25 38.87 1it9 s ASN 205 CO 0.10 -0.21 0.02 -0.69 0.02 0.00 0.00 177.10 176.34 1it9 s VAL 206 N 2.07 4.47 -0.32 1.60 1.01 -0.61 0.14 120.40 128.76 1it9 s VAL 206 Ca 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1it9 s VAL 206 Cb -0.16 -2.90 0.12 0.00 0.00 0.00 0.00 36.38 33.44 1it9 s VAL 206 CO 0.10 0.59 0.17 0.20 0.00 0.00 0.00 175.10 176.16 1it9 s ASN 207 N -0.73 3.24 -0.45 3.32 0.01 0.02 -1.86 114.94 118.49 1it9 s ASN 207 Ca 0.12 -1.71 -0.16 0.00 -0.71 0.00 0.00 52.86 50.40 1it9 s ASN 207 Cb -0.12 -0.36 0.05 0.00 0.41 0.00 0.00 41.25 41.24 1it9 s ASN 207 CO 0.02 -0.38 0.38 -2.28 -1.51 0.00 0.00 177.10 173.34 1it9 s HIS 208 N 1.62 3.22 0.10 2.20 2.46 -0.63 -2.04 115.29 122.22 1it9 s HIS 208 Ca 0.13 -0.72 -0.19 0.00 0.47 0.00 0.00 55.06 54.75 1it9 s HIS 208 Cb -0.19 -2.95 -0.07 0.00 -0.13 0.00 0.00 32.58 29.23 1it9 s HIS 208 CO -0.19 -0.73 1.61 -0.22 -2.47 0.00 0.00 174.74 172.74 1it9 h LYS 209 N 8.72 0.39 -0.68 2.88 3.64 -1.88 0.14 116.57 129.78 1it9 h LYS 209 Ca -0.28 -0.08 0.15 0.00 -1.27 0.00 0.00 60.65 59.17 1it9 h LYS 209 Cb 1.11 -0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.76 1it9 h LYS 209 CO 0.82 0.47 0.01 -1.35 -2.27 0.00 0.00 179.45 177.13 1it9 h PRO 210 N 0.23 0.11 -0.41 1.90 0.11 -1.93 -1.54 132.00 130.48 1it9 h PRO 210 Ca 0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1it9 h PRO 210 Cb 0.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1it9 h PRO 210 CO -0.00 0.08 0.00 -1.13 -0.21 0.00 0.00 178.00 176.73 1it9 n SER 211 N -5.30 3.23 -3.54 -2.05 3.41 -1.23 -4.99 113.62 103.15 1it9 n SER 211 Ca 0.11 -1.93 -0.22 0.00 -0.26 0.00 0.00 58.87 56.57 1it9 n SER 211 Cb 0.41 -0.27 0.03 0.00 -0.26 0.00 0.00 64.21 64.12 1it9 n SER 211 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1it9 n ASN 212 N 1.15 -5.88 -4.03 4.04 5.15 0.10 -4.87 115.26 110.92 1it9 n ASN 212 Ca 0.17 -0.77 -0.31 0.00 -0.60 0.00 0.00 54.58 53.06 1it9 n ASN 212 Cb 0.52 -3.54 -0.15 0.00 -0.53 0.00 0.00 39.78 36.08 1it9 n ASN 212 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1it9 s THR 213 N -3.25 2.20 -0.37 -0.44 2.01 0.26 -4.97 115.64 111.08 1it9 s THR 213 Ca 0.26 -2.08 -0.08 0.00 0.31 0.00 0.00 61.69 60.10 1it9 s THR 213 Cb -0.09 -2.52 0.05 0.00 0.01 0.00 0.00 72.50 69.95 1it9 s THR 213 CO 0.84 -0.41 0.17 -0.54 -0.69 0.00 0.00 174.62 173.99 1it9 s LYS 214 N 0.99 2.66 -0.09 4.92 1.02 -1.26 -1.60 119.74 126.38 1it9 s LYS 214 Ca 0.04 -1.23 0.04 0.00 0.02 0.00 0.00 55.97 54.85 1it9 s LYS 214 Cb -0.19 -3.61 -0.01 0.00 -0.52 0.00 0.00 37.83 33.50 1it9 s LYS 214 CO -0.07 -0.75 -0.23 0.08 -0.92 0.00 0.00 175.35 173.46 1it9 s VAL 215 N 1.45 2.22 -0.28 3.17 1.01 -0.78 -4.97 120.40 122.22 1it9 s VAL 215 Ca 0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1it9 s VAL 215 Cb -0.20 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.38 1it9 s VAL 215 CO 0.04 0.56 -0.04 -1.81 0.00 0.00 0.00 175.10 173.85 1it9 s ASP 216 N 0.15 4.64 -0.03 3.32 1.01 -1.26 -1.57 116.67 122.92 1it9 s ASP 216 Ca -0.12 -1.17 0.03 0.00 0.71 0.00 0.00 52.55 52.00 1it9 s ASP 216 Cb -0.16 -1.67 -0.03 0.00 1.01 0.00 0.00 42.92 42.07 1it9 s ASP 216 CO 0.07 -0.21 -0.08 -0.75 0.21 0.00 0.00 175.17 174.40 1it9 s LYS 217 N 1.25 2.59 -0.43 8.23 2.47 -1.18 -4.99 119.74 127.68 1it9 s LYS 217 Ca -0.04 -0.67 -0.08 0.00 -1.56 0.00 0.00 55.97 53.61 1it9 s LYS 217 Cb -0.19 -2.50 0.10 0.00 -1.46 0.00 0.00 37.83 33.78 1it9 s LYS 217 CO -0.03 0.62 0.28 0.21 0.16 0.00 0.00 175.35 176.59 1it9 s LYS 218 N -1.11 2.49 0.00 4.03 2.20 -1.26 -1.94 119.74 124.14 1it9 s LYS 218 Ca 0.15 -1.60 0.30 0.00 -0.36 0.00 0.00 55.97 54.46 1it9 s LYS 218 Cb -0.11 -3.80 1.48 0.00 -1.51 0.00 0.00 37.83 33.89 1it9 s LYS 218 CO 0.04 -1.04 1.99 0.28 -0.36 0.00 0.00 175.35 176.26