#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i75 s VAL 2 N 0.00 3.05 0.01 6.31 1.01 -1.26 -3.97 120.40 125.56 3i75 s VAL 2 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.08 3i75 s VAL 2 Cb 0.00 -3.05 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 3i75 s VAL 2 CO 0.00 -0.01 -0.09 -0.54 0.00 0.00 0.00 175.10 174.47 3i75 s LYS 3 N 4.38 0.64 -0.18 2.72 1.02 -0.45 -5.00 119.74 122.88 3i75 s LYS 3 Ca 0.87 -0.47 -0.00 0.00 0.02 0.00 0.00 55.97 56.39 3i75 s LYS 3 Cb -0.42 -0.58 0.04 0.00 -0.52 0.00 0.00 37.83 36.35 3i75 s LYS 3 CO 0.41 0.15 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.43 3i75 s LEU 4 N -0.68 1.72 -0.27 3.17 1.02 -1.26 -0.44 118.68 121.94 3i75 s LEU 4 Ca -0.00 -0.74 0.00 0.00 0.02 0.00 0.00 54.13 53.40 3i75 s LEU 4 Cb -0.05 -0.93 0.05 0.00 0.02 0.00 0.00 46.19 45.27 3i75 s LEU 4 CO 0.00 -0.20 -0.06 -0.70 0.02 0.00 0.00 176.35 175.42 3i75 s GLU 5 N 1.61 2.43 0.27 1.70 2.56 -0.11 -4.07 118.70 123.08 3i75 s GLU 5 Ca -0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 54.97 53.68 3i75 s GLU 5 Cb -0.16 -3.02 -0.05 0.00 2.00 0.00 0.00 34.13 32.90 3i75 s GLU 5 CO -0.08 -0.56 0.52 -1.21 -0.56 0.00 0.00 175.26 173.38 3i75 s GLU 6 N 1.21 3.62 1.07 4.30 2.02 -1.26 -1.22 118.70 128.43 3i75 s GLU 6 Ca -0.06 -0.05 -0.12 0.00 0.02 0.00 0.00 54.97 54.77 3i75 s GLU 6 Cb -0.19 -2.69 0.23 0.00 0.10 0.00 0.00 34.13 31.58 3i75 s GLU 6 CO -0.03 0.26 1.07 -1.54 0.02 0.00 0.00 175.26 175.04 3i75 s SER 7 N -3.12 1.70 0.77 -0.19 1.04 -0.83 -4.97 113.70 108.10 3i75 s SER 7 Ca 0.43 1.80 -0.09 0.00 0.48 0.00 0.00 55.95 58.56 3i75 s SER 7 Cb -0.11 -2.42 0.09 0.00 0.10 0.00 0.00 66.02 63.68 3i75 s SER 7 CO 0.29 -3.80 1.10 -0.83 0.98 0.00 0.00 173.24 170.99 3i75 s GLY 8 N -2.56 1.67 0.58 7.32 0.00 -1.26 -4.57 107.32 108.50 3i75 s GLY 8 Ca 0.68 -0.91 -0.20 0.00 0.00 0.00 0.00 44.72 44.29 3i75 s GLY 8 CO 0.62 -0.42 1.20 0.00 0.00 0.00 0.00 173.10 174.50 3i75 n ALA 9 N -3.15 0.96 -3.11 3.20 0.00 -1.26 -4.81 120.51 112.33 3i75 n ALA 9 Ca 0.09 0.07 -0.25 0.00 0.00 0.00 0.00 53.44 53.35 3i75 n ALA 9 Cb 0.61 -2.26 -0.16 0.00 0.00 0.00 0.00 19.45 17.64 3i75 n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i75 s GLU 10 N -2.91 1.73 -0.22 0.00 0.41 -0.49 -5.00 118.70 112.21 3i75 s GLU 10 Ca 0.75 -0.52 -0.07 0.00 -0.41 0.00 0.00 54.97 54.72 3i75 s GLU 10 Cb -0.42 -1.47 -0.03 0.00 -1.78 0.00 0.00 34.13 30.43 3i75 s GLU 10 CO 0.47 0.16 0.05 -1.17 -0.49 0.00 0.00 175.26 174.28 3i75 s LEU 11 N 0.27 3.51 -0.04 1.80 2.96 -1.26 -1.86 118.68 124.06 3i75 s LEU 11 Ca -0.08 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3i75 s LEU 11 Cb -0.13 -1.92 -0.00 0.00 0.50 0.00 0.00 46.19 44.64 3i75 s LEU 11 CO 0.03 0.05 -0.16 0.54 -1.32 0.00 0.00 176.35 175.48 3i75 s VAL 12 N 1.13 1.34 0.47 1.68 0.11 0.21 -4.98 120.40 120.36 3i75 s VAL 12 Ca 0.04 -0.67 -0.21 0.00 -2.93 0.00 0.00 61.98 58.21 3i75 s VAL 12 Cb -0.14 -1.15 -0.09 0.00 -1.53 0.00 0.00 36.38 33.47 3i75 s VAL 12 CO 0.03 0.39 1.03 -0.13 -3.33 0.00 0.00 175.10 173.09 3i75 s ARG 13 N 0.02 3.88 0.19 1.54 1.81 -1.26 -0.50 118.95 124.64 3i75 s ARG 13 Ca -0.03 1.36 -0.33 0.00 -1.72 0.00 0.00 55.73 55.02 3i75 s ARG 13 Cb -0.11 -2.16 -0.13 0.00 -0.45 0.00 0.00 34.95 32.10 3i75 s ARG 13 CO 0.02 -0.36 1.58 -2.30 -0.68 0.00 0.00 175.30 173.56 3i75 n PRO 14 N -0.82 2.28 0.00 3.54 -0.02 -1.26 -1.41 135.00 137.31 3i75 n PRO 14 Ca 0.09 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3i75 n PRO 14 Cb 0.52 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3i75 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i75 n GLY 15 N 3.27 1.30 4.02 -1.23 0.00 -0.12 -4.93 105.19 107.50 3i75 n GLY 15 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 3i75 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i75 s ALA 16 N -2.32 4.37 0.27 4.61 0.00 -0.50 -4.35 121.76 123.84 3i75 s ALA 16 Ca 0.00 -2.00 0.07 0.00 0.00 0.00 0.00 51.96 50.02 3i75 s ALA 16 Cb 0.00 -1.64 -0.06 0.00 0.00 0.00 0.00 23.12 21.42 3i75 s ALA 16 CO 0.00 -1.06 -0.07 -1.12 0.00 0.00 0.00 175.76 173.51 3i75 s SER 17 N -4.69 2.72 0.09 0.00 0.01 -1.26 -1.53 113.70 109.03 3i75 s SER 17 Ca 0.63 -1.16 -0.17 0.00 1.31 0.00 0.00 55.95 56.56 3i75 s SER 17 Cb -0.06 -0.16 0.03 0.00 0.21 0.00 0.00 66.02 66.05 3i75 s SER 17 CO 0.41 -0.31 0.40 0.54 0.41 0.00 0.00 173.24 174.69 3i75 s VAL 18 N -3.01 0.06 -0.14 3.43 0.11 -0.45 -4.96 120.40 115.46 3i75 s VAL 18 Ca 0.28 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 3i75 s VAL 18 Cb 0.03 -1.07 0.02 0.00 -1.53 0.00 0.00 36.38 33.83 3i75 s VAL 18 CO 0.11 -0.29 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.54 3i75 s THR 19 N -3.20 1.60 0.09 5.04 2.01 -1.26 -0.57 115.64 119.35 3i75 s THR 19 Ca -0.01 -0.67 0.01 0.00 0.31 0.00 0.00 61.69 61.34 3i75 s THR 19 Cb 0.01 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.00 3i75 s THR 19 CO -0.08 0.46 0.19 -0.76 -0.69 0.00 0.00 174.62 173.74 3i75 s LEU 20 N 1.29 4.19 0.11 4.42 1.43 0.37 -4.93 118.68 125.56 3i75 s LEU 20 Ca 0.01 0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.34 3i75 s LEU 20 Cb -0.14 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 3i75 s LEU 20 CO -0.08 0.14 -0.17 -0.94 0.23 0.00 0.00 176.35 175.54 3i75 s SER 21 N -2.64 2.17 -0.18 2.29 1.04 -1.26 -1.15 113.70 113.97 3i75 s SER 21 Ca 0.33 -0.72 -0.05 0.00 0.48 0.00 0.00 55.95 55.99 3i75 s SER 21 Cb -0.12 -0.10 0.07 0.00 0.10 0.00 0.00 66.02 65.97 3i75 s SER 21 CO 0.26 -0.05 0.11 0.00 0.98 0.00 0.00 173.24 174.55 3i75 s ALA 23 N 2.17 3.56 0.03 0.00 0.00 -0.36 -0.92 121.76 126.24 3i75 s ALA 23 Ca 0.03 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.09 3i75 s ALA 23 Cb -0.16 -2.65 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 3i75 s ALA 23 CO -0.10 -0.58 0.29 0.00 0.00 0.00 0.00 175.76 175.38 3i75 s ALA 24 N 1.89 3.83 0.14 0.00 0.00 -0.42 -0.93 121.76 126.26 3i75 s ALA 24 Ca 0.14 -0.55 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 3i75 s ALA 24 Cb -0.16 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.87 3i75 s ALA 24 CO 0.10 0.64 0.29 -1.54 0.00 0.00 0.00 175.76 175.25 3i75 s SER 25 N -1.79 0.01 0.00 0.00 1.04 0.42 -4.85 113.70 108.53 3i75 s SER 25 Ca 0.29 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3i75 s SER 25 Cb -0.13 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3i75 s SER 25 CO 0.17 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.16 3i75 n GLY 26 N -0.17 0.72 3.70 7.32 0.00 -1.25 -1.34 105.19 114.17 3i75 n GLY 26 Ca -0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 3i75 n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i75 s TYR 27 N -2.00 -0.19 -0.41 1.61 1.13 -1.26 -4.14 117.35 112.09 3i75 s TYR 27 Ca 0.00 -0.09 -0.28 0.00 -1.41 0.00 0.00 57.07 55.29 3i75 s TYR 27 Cb 0.00 0.62 0.00 0.00 -1.10 0.00 0.00 41.96 41.48 3i75 s TYR 27 CO 0.00 -0.79 1.52 0.99 -2.51 0.00 0.00 175.55 174.76 3i75 s THR 28 N -3.30 3.76 0.20 -3.49 2.01 -1.26 -4.93 115.64 108.64 3i75 s THR 28 Ca 0.10 0.76 -0.12 0.00 0.31 0.00 0.00 61.69 62.74 3i75 s THR 28 Cb -0.01 -4.08 0.17 0.00 0.01 0.00 0.00 72.50 68.58 3i75 s THR 28 CO -0.00 -0.72 1.67 0.15 -0.69 0.00 0.00 174.62 175.03 3i75 h PHE 29 N 11.43 -0.05 0.00 4.92 3.57 -1.95 -2.57 116.94 132.29 3i75 h PHE 29 Ca -0.29 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.25 3i75 h PHE 29 Cb 1.12 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.97 3i75 h PHE 29 CO 0.98 -0.14 0.00 0.25 -2.23 0.00 0.00 178.31 177.16 3i75 n THR 30 N -5.26 0.00 1.53 4.41 -2.24 -1.26 -3.07 114.28 108.40 3i75 n THR 30 Ca 0.07 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.99 3i75 n THR 30 Cb 0.31 -0.51 0.59 0.00 -2.10 0.00 0.00 70.33 68.62 3i75 n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i75 n ASP 31 N -1.07 1.03 -4.03 3.42 10.43 -0.97 -4.57 116.55 120.80 3i75 n ASP 31 Ca 0.21 -1.20 -0.20 0.00 2.57 0.00 0.00 54.79 56.18 3i75 n ASP 31 Cb 0.14 0.01 -0.15 0.00 1.84 0.00 0.00 41.12 42.96 3i75 n ASP 31 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 3i75 s PHE 32 N -2.14 0.94 0.65 1.24 0.40 -1.17 -2.98 117.98 114.92 3i75 s PHE 32 Ca 0.36 -0.20 -0.16 0.00 -0.60 0.00 0.00 56.93 56.33 3i75 s PHE 32 Cb 0.21 -0.64 -0.00 0.00 0.51 0.00 0.00 43.02 43.10 3i75 s PHE 32 CO 0.39 -0.06 1.12 -1.21 0.70 0.00 0.00 175.22 176.17 3i75 s GLU 33 N -0.04 2.79 -0.23 0.44 2.02 0.03 -4.50 118.70 119.19 3i75 s GLU 33 Ca 0.01 1.46 -0.06 0.00 0.02 0.00 0.00 54.97 56.40 3i75 s GLU 33 Cb -0.06 -1.94 -0.02 0.00 0.10 0.00 0.00 34.13 32.21 3i75 s GLU 33 CO 0.00 -1.27 0.02 0.42 0.02 0.00 0.00 175.26 174.45 3i75 s ILE 34 N -2.22 3.91 0.03 -1.63 -1.09 -0.43 -1.60 121.20 118.16 3i75 s ILE 34 Ca 0.69 -0.31 -0.01 0.00 -2.23 0.00 0.00 60.65 58.79 3i75 s ILE 34 Cb -0.22 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.81 3i75 s ILE 34 CO 0.40 0.38 0.17 -1.00 -1.23 0.00 0.00 174.94 173.66 3i75 s HIS 35 N 1.50 3.47 0.08 3.97 3.76 -0.09 -1.57 115.29 126.40 3i75 s HIS 35 Ca 0.06 0.27 0.09 0.00 -0.15 0.00 0.00 55.06 55.33 3i75 s HIS 35 Cb -0.15 -1.77 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 3i75 s HIS 35 CO 0.01 0.60 -0.22 -1.58 -0.85 0.00 0.00 174.74 172.70 3i75 s TRP 36 N -1.38 2.44 -0.02 1.40 0.52 -0.76 -0.94 118.94 120.19 3i75 s TRP 36 Ca 0.30 -0.32 -0.01 0.00 0.02 0.00 0.00 56.10 56.08 3i75 s TRP 36 Cb -0.13 -1.37 0.02 0.00 -1.15 0.00 0.00 33.47 30.85 3i75 s TRP 36 CO 0.22 0.28 0.04 0.08 0.02 0.00 0.00 176.95 177.58 3i75 s VAL 37 N -0.98 -0.03 -0.11 4.03 1.01 -0.10 -0.93 120.40 123.29 3i75 s VAL 37 Ca 0.15 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 3i75 s VAL 37 Cb -0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 3i75 s VAL 37 CO 0.06 0.05 0.07 -0.75 0.00 0.00 0.00 175.10 174.53 3i75 s LYS 38 N 0.61 3.25 -0.40 2.72 2.20 0.39 -0.82 119.74 127.70 3i75 s LYS 38 Ca -0.05 -0.27 0.02 0.00 -0.36 0.00 0.00 55.97 55.31 3i75 s LYS 38 Cb -0.07 -3.00 0.12 0.00 -1.51 0.00 0.00 37.83 33.36 3i75 s LYS 38 CO -0.02 0.72 0.16 -1.14 -0.36 0.00 0.00 175.35 174.70 3i75 s GLN 39 N -0.88 1.37 0.92 4.03 0.74 -0.04 -0.86 119.66 124.93 3i75 s GLN 39 Ca 0.14 -1.89 -0.11 0.00 0.05 0.00 0.00 55.36 53.54 3i75 s GLN 39 Cb -0.12 -2.73 0.14 0.00 1.10 0.00 0.00 33.01 31.41 3i75 s GLN 39 CO 0.03 -1.05 1.10 -2.14 -0.55 0.00 0.00 175.29 172.68 3i75 s PRO 40 N 0.66 1.06 0.25 1.67 0.02 -1.26 -1.84 135.00 135.55 3i75 s PRO 40 Ca 0.14 1.06 -0.04 0.00 0.02 0.00 0.00 61.00 62.18 3i75 s PRO 40 Cb -0.22 -1.77 0.38 0.00 0.02 0.00 0.00 34.50 32.92 3i75 s PRO 40 CO -0.08 -2.45 1.83 -1.35 -0.33 0.00 0.00 177.00 174.62 3i75 h PRO 41 N -1.71 0.87 -4.35 5.54 0.11 -1.97 -3.41 132.00 127.08 3i75 h PRO 41 Ca -0.49 -0.05 -0.42 0.00 0.11 0.00 0.00 66.00 65.15 3i75 h PRO 41 Cb 1.28 -0.20 -0.32 0.00 0.11 0.00 0.00 31.00 31.87 3i75 h PRO 41 CO 0.50 0.58 -0.78 0.08 -0.21 0.00 0.00 178.00 178.17 3i75 s VAL 42 N -6.04 0.69 0.00 3.15 1.01 -1.26 -5.06 120.40 112.90 3i75 s VAL 42 Ca -0.12 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3i75 s VAL 42 Cb 0.19 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.92 3i75 s VAL 42 CO 0.79 0.24 0.00 0.61 0.00 0.00 0.00 175.10 176.74 3i75 n GLY 43 N 3.60 0.34 3.99 4.51 0.00 -1.26 -5.09 105.19 111.27 3i75 n GLY 43 Ca -0.21 -1.93 -0.19 0.00 0.00 0.00 0.00 46.02 43.68 3i75 n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i75 s GLY 44 N -0.82 1.94 0.22 -0.02 0.00 -1.26 -4.45 107.32 102.93 3i75 s GLY 44 Ca 0.00 -1.84 -0.32 0.00 0.00 0.00 0.00 44.72 42.56 3i75 s GLY 44 CO 0.00 -1.64 1.43 1.04 0.00 0.00 0.00 173.10 173.94 3i75 n LEU 45 N -1.93 3.02 -4.14 0.66 4.77 -1.26 -4.51 117.00 113.62 3i75 n LEU 45 Ca 0.09 1.13 -0.28 0.00 -0.03 0.00 0.00 56.01 56.92 3i75 n LEU 45 Cb 0.61 -1.42 -0.17 0.00 -2.33 0.00 0.00 43.42 40.12 3i75 n LEU 45 CO 0.40 -0.49 -0.52 -1.61 -1.33 0.00 0.00 177.39 173.85 3i75 s GLU 46 N -0.12 2.25 -0.05 3.23 2.02 -0.04 -4.98 118.70 121.00 3i75 s GLU 46 Ca 0.71 -0.66 -0.29 0.00 0.02 0.00 0.00 54.97 54.75 3i75 s GLU 46 Cb -0.67 -1.80 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 3i75 s GLU 46 CO 0.47 0.16 0.97 -0.46 0.02 0.00 0.00 175.26 176.42 3i75 s TRP 47 N 0.35 3.58 -0.19 1.61 -0.00 -1.26 -0.46 118.94 122.57 3i75 s TRP 47 Ca -0.13 1.62 -0.16 0.00 -0.00 0.00 0.00 56.10 57.43 3i75 s TRP 47 Cb -0.15 -3.13 -0.11 0.00 -0.00 0.00 0.00 33.47 30.07 3i75 s TRP 47 CO 0.05 -0.11 -0.05 -0.89 -0.00 0.00 0.00 176.95 175.95 3i75 n ILE 48 N 4.21 1.49 0.00 5.86 5.41 -0.11 -4.54 119.36 131.68 3i75 n ILE 48 Ca 0.07 0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.84 3i75 n ILE 48 Cb 0.50 -2.17 0.00 0.00 -0.71 0.00 0.00 39.64 37.26 3i75 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i75 n GLY 49 N 1.48 -0.38 3.18 7.39 0.00 -1.19 -1.67 105.19 114.00 3i75 n GLY 49 Ca -0.25 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 3i75 n GLY 49 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i75 s THR 50 N -2.00 1.25 -0.03 2.61 -1.32 -0.30 -1.83 115.64 114.02 3i75 s THR 50 Ca 0.00 -1.19 0.02 0.00 -1.21 0.00 0.00 61.69 59.32 3i75 s THR 50 Cb 0.00 -1.15 0.01 0.00 -1.51 0.00 0.00 72.50 69.85 3i75 s THR 50 CO 0.00 -0.05 -0.09 -0.22 -2.21 0.00 0.00 174.62 172.05 3i75 s LEU 51 N -1.43 1.71 -0.47 9.08 2.96 -0.61 -1.88 118.68 128.05 3i75 s LEU 51 Ca 0.02 -0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 53.58 3i75 s LEU 51 Cb -0.09 -0.57 0.08 0.00 0.50 0.00 0.00 46.19 46.10 3i75 s LEU 51 CO 0.02 0.05 0.39 -0.62 -1.32 0.00 0.00 176.35 174.87 3i75 s ASP 52 N 0.33 6.12 0.58 3.68 2.15 -0.17 -1.31 116.67 128.04 3i75 s ASP 52 Ca -0.06 -1.36 0.36 0.00 0.43 0.00 0.00 52.55 51.92 3i75 s ASP 52 Cb -0.10 -2.17 1.69 0.00 -0.30 0.00 0.00 42.92 42.03 3i75 s ASP 52 CO 0.01 -0.65 2.11 1.55 -0.17 0.00 0.00 175.17 178.02 3i75 h PRO 53 N 8.74 0.00 -0.59 4.34 0.13 -1.87 -0.42 132.00 142.33 3i75 h PRO 53 Ca -0.28 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.78 3i75 h PRO 53 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3i75 h PRO 53 CO 0.88 0.03 0.08 1.49 -0.23 0.00 0.00 178.00 180.25 3i75 h GLU 54 N 0.00 0.96 0.00 0.86 4.57 -1.91 -3.36 114.58 115.69 3i75 h GLU 54 Ca -0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 3i75 h GLU 54 Cb 0.34 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.81 3i75 h GLU 54 CO 0.00 0.90 -0.35 0.25 -1.18 0.00 0.00 179.01 178.63 3i75 n THR 55 N -4.22 0.00 -0.72 0.32 -2.24 -0.98 -5.00 114.28 101.44 3i75 n THR 55 Ca 0.04 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3i75 n THR 55 Cb 0.28 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 3i75 n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i75 n GLY 56 N 1.43 0.76 3.75 3.38 0.00 -0.20 -5.03 105.19 109.26 3i75 n GLY 56 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i75 n GLY 56 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i75 s GLY 57 N -1.85 2.57 0.10 -0.02 0.00 -1.22 -4.83 107.32 102.07 3i75 s GLY 57 Ca 0.00 1.18 0.03 0.00 0.00 0.00 0.00 44.72 45.94 3i75 s GLY 57 CO 0.00 2.06 -0.09 -0.51 0.00 0.00 0.00 173.10 174.56 3i75 s THR 58 N -0.25 0.91 -0.03 0.90 -4.23 -1.26 -1.00 115.64 110.68 3i75 s THR 58 Ca 0.55 -1.72 -0.14 0.00 -1.18 0.00 0.00 61.69 59.20 3i75 s THR 58 Cb -0.38 -1.45 0.02 0.00 1.34 0.00 0.00 72.50 72.03 3i75 s THR 58 CO 0.43 -0.63 0.30 0.00 -0.54 0.00 0.00 174.62 174.18 3i75 s ALA 59 N -2.72 -0.77 0.03 3.99 0.00 -0.79 -5.00 121.76 116.50 3i75 s ALA 59 Ca 0.07 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.44 3i75 s ALA 59 Cb -0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 3i75 s ALA 59 CO -0.01 -0.24 -0.09 0.71 0.00 0.00 0.00 175.76 176.12 3i75 s TYR 60 N -1.14 0.81 0.41 0.00 2.02 -1.26 -1.15 117.35 117.04 3i75 s TYR 60 Ca -0.12 -0.35 -0.27 0.00 -0.37 0.00 0.00 57.07 55.96 3i75 s TYR 60 Cb -0.05 -0.49 -0.10 0.00 -0.40 0.00 0.00 41.96 40.92 3i75 s TYR 60 CO 0.04 -0.02 1.45 -1.71 -1.57 0.00 0.00 175.55 173.74 3i75 n ASN 61 N 1.97 3.55 -0.32 2.29 5.15 -0.67 -4.88 115.26 122.35 3i75 n ASN 61 Ca -0.19 1.18 0.13 0.00 -0.60 0.00 0.00 54.58 55.10 3i75 n ASN 61 Cb 0.56 -1.61 0.34 0.00 -0.53 0.00 0.00 39.78 38.54 3i75 n ASN 61 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3i75 h GLN 62 N 2.66 0.72 0.00 1.20 4.15 -1.94 -0.38 115.11 121.52 3i75 h GLN 62 Ca -0.50 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 58.87 3i75 h GLN 62 Cb 1.26 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3i75 h GLN 62 CO 0.63 0.48 0.00 -0.91 -1.93 0.00 0.00 178.83 177.10 3i75 h ASN 63 N 0.75 0.00 -0.01 -0.69 2.35 -1.96 -2.31 115.58 113.70 3i75 h ASN 63 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 3i75 h ASN 63 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.20 3i75 h ASN 63 CO -0.29 0.00 -0.20 0.49 -1.65 0.00 0.00 177.43 175.78 3i75 n PHE 64 N -2.83 0.00 -2.34 1.19 3.72 -0.17 -4.88 117.46 112.15 3i75 n PHE 64 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3i75 n PHE 64 Cb 0.20 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 3i75 n PHE 64 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3i75 s LYS 65 N -1.64 4.38 0.00 -1.08 1.02 -0.87 -0.97 119.74 120.58 3i75 s LYS 65 Ca 0.15 1.85 0.00 0.00 0.02 0.00 0.00 55.97 57.99 3i75 s LYS 65 Cb 0.13 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 3i75 s LYS 65 CO 0.32 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 3i75 n GLY 66 N 3.35 1.88 0.47 -3.33 0.00 -1.26 -4.91 105.19 101.38 3i75 n GLY 66 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 3i75 n GLY 66 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i75 n ARG 67 N -2.00 0.20 -4.24 1.61 3.00 -0.14 -4.89 116.66 110.20 3i75 n ARG 67 Ca 0.00 0.07 -0.34 0.00 -0.00 0.00 0.00 57.85 57.58 3i75 n ARG 67 Cb 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 32.46 31.42 3i75 n ARG 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i75 s ALA 68 N -2.17 3.41 -0.08 5.13 0.00 -0.71 -1.35 121.76 125.98 3i75 s ALA 68 Ca -0.12 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 3i75 s ALA 68 Cb 0.04 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.68 3i75 s ALA 68 CO 0.18 0.63 -0.04 0.99 0.00 0.00 0.00 175.76 177.51 3i75 s THR 69 N -1.03 0.67 -0.21 0.00 2.01 -0.20 -4.83 115.64 112.06 3i75 s THR 69 Ca 0.17 -0.11 -0.12 0.00 0.31 0.00 0.00 61.69 61.95 3i75 s THR 69 Cb -0.12 -0.74 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 3i75 s THR 69 CO 0.07 0.29 0.22 -0.76 -0.69 0.00 0.00 174.62 173.76 3i75 s LEU 70 N 1.57 4.17 0.34 4.42 1.43 -1.26 -1.53 118.68 127.82 3i75 s LEU 70 Ca 0.00 0.29 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 3i75 s LEU 70 Cb -0.13 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 3i75 s LEU 70 CO -0.04 0.08 0.24 0.42 0.23 0.00 0.00 176.35 177.28 3i75 s THR 71 N 0.79 0.11 0.09 5.49 -4.23 -0.64 -5.00 115.64 112.26 3i75 s THR 71 Ca 0.11 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.45 3i75 s THR 71 Cb -0.13 -2.46 0.04 0.00 1.34 0.00 0.00 72.50 71.29 3i75 s THR 71 CO 0.03 0.00 0.41 0.00 -0.54 0.00 0.00 174.62 174.52 3i75 s ALA 72 N -3.42 -0.98 -0.30 3.99 0.00 -1.26 -0.59 121.76 119.19 3i75 s ALA 72 Ca 0.37 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.49 3i75 s ALA 72 Cb 0.02 0.53 0.07 0.00 0.00 0.00 0.00 23.12 23.75 3i75 s ALA 72 CO 0.25 -0.56 -0.02 0.34 0.00 0.00 0.00 175.76 175.77 3i75 s ASP 73 N -2.42 4.69 0.45 0.00 -1.08 -0.14 -5.00 116.67 113.18 3i75 s ASP 73 Ca -0.01 -1.63 0.11 0.00 -0.52 0.00 0.00 52.55 50.50 3i75 s ASP 73 Cb 0.01 -1.63 1.02 0.00 -1.46 0.00 0.00 42.92 40.86 3i75 s ASP 73 CO -0.07 -0.28 2.08 0.11 0.52 0.00 0.00 175.17 177.52 3i75 h LYS 74 N 7.80 0.29 -0.28 4.34 1.57 -1.88 -2.37 116.57 126.03 3i75 h LYS 74 Ca -0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3i75 h LYS 74 Cb 1.04 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 3i75 h LYS 74 CO 0.51 0.21 0.14 0.66 -0.57 0.00 0.00 179.45 180.40 3i75 h SER 75 N 0.30 0.37 -0.08 0.86 4.64 -1.97 -2.22 113.55 115.45 3i75 h SER 75 Ca 0.08 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3i75 h SER 75 Cb 0.00 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 3i75 h SER 75 CO -0.01 0.38 0.00 -1.54 -0.87 0.00 0.00 176.83 174.79 3i75 n SER 76 N -4.80 1.34 -3.67 4.97 3.41 -1.18 -4.96 113.62 108.73 3i75 n SER 76 Ca -0.02 -1.54 -0.28 0.00 -0.26 0.00 0.00 58.87 56.77 3i75 n SER 76 Cb 0.10 -0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.02 3i75 n SER 76 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i75 n SER 77 N 0.07 -4.77 -4.15 4.04 7.64 -0.84 -4.77 113.62 110.84 3i75 n SER 77 Ca 0.18 -0.62 -0.30 0.00 1.01 0.00 0.00 58.87 59.14 3i75 n SER 77 Cb 0.30 -3.84 -0.17 0.00 -1.01 0.00 0.00 64.21 59.50 3i75 n SER 77 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3i75 s THR 78 N -3.20 1.78 -0.02 0.44 2.01 -1.01 -1.30 115.64 114.35 3i75 s THR 78 Ca 0.56 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.66 3i75 s THR 78 Cb -0.28 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 3i75 s THR 78 CO 0.69 0.50 0.23 0.00 -0.69 0.00 0.00 174.62 175.35 3i75 s ALA 79 N 0.57 3.88 0.12 7.40 0.00 -0.09 -0.96 121.76 132.66 3i75 s ALA 79 Ca -0.15 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.27 3i75 s ALA 79 Cb -0.17 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 3i75 s ALA 79 CO 0.05 0.67 -0.19 0.71 0.00 0.00 0.00 175.76 176.99 3i75 s TYR 80 N -1.26 1.73 -0.17 0.00 2.02 0.24 -0.58 117.35 119.32 3i75 s TYR 80 Ca 0.25 -0.44 -0.03 0.00 -0.37 0.00 0.00 57.07 56.48 3i75 s TYR 80 Cb -0.13 -0.93 0.06 0.00 -0.40 0.00 0.00 41.96 40.56 3i75 s TYR 80 CO 0.15 0.22 0.04 1.41 -1.57 0.00 0.00 175.55 175.80 3i75 s MET 81 N -2.14 0.51 -0.18 -0.62 -2.45 -0.30 -1.62 119.30 112.49 3i75 s MET 81 Ca 0.08 -0.28 -0.17 0.00 -1.25 0.00 0.00 55.69 54.06 3i75 s MET 81 Cb -0.09 -1.92 -0.04 0.00 1.25 0.00 0.00 34.83 34.04 3i75 s MET 81 CO 0.05 -0.61 0.47 -2.00 1.05 0.00 0.00 175.02 173.97 3i75 s GLU 82 N 1.94 4.21 -0.30 4.11 2.12 -0.58 -0.48 118.70 129.72 3i75 s GLU 82 Ca 0.00 0.35 -0.07 0.00 0.36 0.00 0.00 54.97 55.62 3i75 s GLU 82 Cb -0.16 -3.53 0.02 0.00 0.26 0.00 0.00 34.13 30.71 3i75 s GLU 82 CO -0.08 -0.05 0.08 -0.51 -0.54 0.00 0.00 175.26 174.16 3i75 s LEU 83 N 1.33 3.94 -0.14 2.70 1.43 0.27 -1.03 118.68 127.17 3i75 s LEU 83 Ca 0.23 -0.81 -0.03 0.00 -1.03 0.00 0.00 54.13 52.49 3i75 s LEU 83 Cb -0.15 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3i75 s LEU 83 CO 0.09 -0.22 -0.05 -0.60 0.23 0.00 0.00 176.35 175.80 3i75 s ARG 84 N 1.47 3.50 -0.55 1.70 3.52 -0.46 -1.33 118.95 126.79 3i75 s ARG 84 Ca 0.02 -0.54 -0.10 0.00 -0.13 0.00 0.00 55.73 54.98 3i75 s ARG 84 Cb -0.18 -2.83 0.01 0.00 -1.56 0.00 0.00 34.95 30.39 3i75 s ARG 84 CO 0.02 0.31 0.64 0.45 -0.81 0.00 0.00 175.30 175.91 3i75 n SER 85 N 3.30 -7.90 -4.92 -2.12 2.88 -0.96 -4.86 113.62 99.04 3i75 n SER 85 Ca -0.18 0.30 -0.27 0.00 -1.33 0.00 0.00 58.87 57.39 3i75 n SER 85 Cb 0.53 -5.37 -0.03 0.00 -0.75 0.00 0.00 64.21 58.58 3i75 n SER 85 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3i75 s LEU 86 N -3.16 4.29 0.50 2.46 1.43 -0.58 -4.76 118.68 118.85 3i75 s LEU 86 Ca 0.15 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 3i75 s LEU 86 Cb -0.04 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 3i75 s LEU 86 CO 0.76 0.08 0.03 0.42 0.23 0.00 0.00 176.35 177.87 3i75 s THR 87 N -1.68 0.99 0.59 5.49 -4.23 -1.26 -0.94 115.64 114.60 3i75 s THR 87 Ca 0.34 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.14 3i75 s THR 87 Cb -0.11 -2.15 0.38 0.00 1.34 0.00 0.00 72.50 71.95 3i75 s THR 87 CO 0.28 0.00 1.91 0.77 -0.54 0.00 0.00 174.62 177.04 3i75 h SER 88 N 1.42 0.00 0.21 3.99 4.64 -1.98 -0.19 113.55 121.64 3i75 h SER 88 Ca -0.42 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.89 3i75 h SER 88 Cb 1.31 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.40 3i75 h SER 88 CO 0.70 0.00 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.29 3i75 h GLU 89 N 0.00 0.00 -0.02 4.77 4.39 -1.96 -1.89 114.58 119.87 3i75 h GLU 89 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3i75 h GLU 89 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3i75 h GLU 89 CO -0.00 0.04 0.00 -0.25 -1.16 0.00 0.00 179.01 177.63 3i75 n ASP 90 N -3.47 1.97 -4.70 1.42 9.92 -0.08 -4.89 116.55 116.72 3i75 n ASP 90 Ca -0.02 -1.66 -0.42 0.00 -0.53 0.00 0.00 54.79 52.16 3i75 n ASP 90 Cb 0.15 -0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.60 3i75 n ASP 90 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3i75 s SER 91 N -2.00 6.78 0.00 -2.24 0.01 -0.71 -4.89 113.70 110.65 3i75 s SER 91 Ca 0.35 2.28 0.00 0.00 1.31 0.00 0.00 55.95 59.89 3i75 s SER 91 Cb 0.21 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.87 3i75 s SER 91 CO 0.32 -0.73 0.00 0.00 0.41 0.00 0.00 173.24 173.24 3i75 n ALA 92 N 4.87 0.00 -2.72 1.44 0.00 -0.22 -4.44 120.51 119.43 3i75 n ALA 92 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.21 3i75 n ALA 92 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 3i75 n ALA 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3i75 s VAL 93 N -2.00 5.35 -0.13 0.00 1.01 -0.77 -0.75 120.40 123.11 3i75 s VAL 93 Ca 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 3i75 s VAL 93 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3i75 s VAL 93 CO 0.00 0.40 -0.10 -0.31 0.00 0.00 0.00 175.10 175.09 3i75 s TYR 94 N 0.52 2.87 0.06 5.22 2.02 1.00 -0.87 117.35 128.17 3i75 s TYR 94 Ca 0.12 -0.48 0.05 0.00 -0.37 0.00 0.00 57.07 56.40 3i75 s TYR 94 Cb -0.12 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.54 3i75 s TYR 94 CO 0.02 -0.10 -0.06 0.71 -1.57 0.00 0.00 175.55 174.54 3i75 s TYR 95 N 0.22 2.86 0.07 2.71 2.02 0.00 -1.15 117.35 124.08 3i75 s TYR 95 Ca -0.06 -0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 3i75 s TYR 95 Cb -0.15 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.84 3i75 s TYR 95 CO 0.04 0.42 0.15 0.00 -1.57 0.00 0.00 175.55 174.59 3i75 s THR 97 N -1.45 0.05 0.17 0.00 -1.32 -0.11 -1.34 115.64 111.63 3i75 s THR 97 Ca 0.32 -0.40 0.04 0.00 -1.21 0.00 0.00 61.69 60.45 3i75 s THR 97 Cb -0.13 -0.97 -0.04 0.00 -1.51 0.00 0.00 72.50 69.85 3i75 s THR 97 CO 0.25 -0.22 0.21 0.00 -2.21 0.00 0.00 174.62 172.65 3i75 s ARG 98 N -2.58 3.15 -0.04 7.08 1.70 -1.02 -0.92 118.95 126.32 3i75 s ARG 98 Ca -0.05 -0.77 -0.00 0.00 -0.47 0.00 0.00 55.73 54.44 3i75 s ARG 98 Cb -0.01 -2.78 0.03 0.00 -0.57 0.00 0.00 34.95 31.62 3i75 s ARG 98 CO -0.03 0.49 0.01 -0.46 -1.08 0.00 0.00 175.30 174.23 3i75 s TRP 99 N -1.78 0.38 0.07 5.89 -0.11 -0.63 -1.85 118.94 120.90 3i75 s TRP 99 Ca 0.33 -0.01 -0.30 0.00 1.22 0.00 0.00 56.10 57.33 3i75 s TRP 99 Cb -0.10 -0.52 -0.09 0.00 -1.50 0.00 0.00 33.47 31.26 3i75 s TRP 99 CO 0.26 -0.19 1.85 0.20 -4.62 0.00 0.00 176.95 174.45 3i75 s GLY 100 N 1.40 1.42 0.10 5.86 0.00 -0.88 -0.79 107.32 114.44 3i75 s GLY 100 Ca -0.04 1.33 -0.07 0.00 0.00 0.00 0.00 44.72 45.94 3i75 s GLY 100 CO -0.03 3.24 1.23 1.70 0.00 0.00 0.00 173.10 179.24 3i75 h LYS 101 N 9.42 0.43 -6.53 2.90 3.64 -1.89 -3.46 116.57 121.09 3i75 h LYS 101 Ca -0.46 -0.53 -0.53 0.00 -1.27 0.00 0.00 60.65 57.86 3i75 h LYS 101 Cb 1.22 0.17 0.02 0.00 -0.41 0.00 0.00 32.23 33.23 3i75 h LYS 101 CO 0.94 1.19 0.73 0.21 -2.27 0.00 0.00 179.45 180.25 3i75 s LYS 102 N -3.10 4.32 0.18 1.90 2.20 -1.26 -4.97 119.74 119.02 3i75 s LYS 102 Ca -0.06 2.05 -0.31 0.00 -0.36 0.00 0.00 55.97 57.29 3i75 s LYS 102 Cb 0.08 -3.29 -0.10 0.00 -1.51 0.00 0.00 37.83 33.02 3i75 s LYS 102 CO 0.88 -0.44 1.48 0.12 -0.36 0.00 0.00 175.35 177.03 3i75 s PHE 103 N 1.23 3.10 0.10 4.03 5.36 -1.26 -4.68 117.98 125.86 3i75 s PHE 103 Ca 0.64 0.84 0.05 0.00 -0.96 0.00 0.00 56.93 57.50 3i75 s PHE 103 Cb -0.36 -3.83 -0.04 0.00 -0.34 0.00 0.00 43.02 38.46 3i75 s PHE 103 CO 0.30 -2.90 -0.12 0.71 -1.46 0.00 0.00 175.22 171.75 3i75 s TYR 104 N 0.75 1.21 0.32 10.12 1.51 -1.26 -5.04 117.35 124.96 3i75 s TYR 104 Ca 0.65 -0.58 0.04 0.00 -1.01 0.00 0.00 57.07 56.16 3i75 s TYR 104 Cb -0.41 -0.65 0.64 0.00 -0.11 0.00 0.00 41.96 41.42 3i75 s TYR 104 CO 0.35 0.07 1.90 -0.92 -1.11 0.00 0.00 175.55 175.84 3i75 h TYR 105 N 3.67 0.96 -0.36 2.71 3.20 -2.04 -1.50 116.97 123.62 3i75 h TYR 105 Ca -0.39 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.51 3i75 h TYR 105 Cb 1.19 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.15 3i75 h TYR 105 CO 0.64 0.46 0.00 0.66 -1.64 0.00 0.00 178.16 178.28 3i75 n TYR 106 N -4.52 1.27 -0.24 -3.82 4.02 -1.26 -5.07 117.16 107.54 3i75 n TYR 106 Ca 0.15 -0.82 0.03 0.00 -0.01 0.00 0.00 57.90 57.24 3i75 n TYR 106 Cb 0.28 -0.37 -0.01 0.00 -0.02 0.00 0.00 39.34 39.23 3i75 n TYR 106 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i75 n GLY 107 N -0.14 -1.41 3.77 2.72 0.00 -0.57 -4.89 105.19 104.67 3i75 n GLY 107 Ca 0.23 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 3i75 n GLY 107 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i75 s THR 108 N -1.26 3.14 0.23 2.61 -1.32 -1.26 -4.60 115.64 113.18 3i75 s THR 108 Ca 0.00 0.84 0.02 0.00 -1.21 0.00 0.00 61.69 61.34 3i75 s THR 108 Cb 0.00 -3.42 -0.03 0.00 -1.51 0.00 0.00 72.50 67.54 3i75 s THR 108 CO 0.00 -0.03 1.56 0.28 -2.21 0.00 0.00 174.62 174.23 3i75 h SER 109 N 1.98 0.39 -1.13 8.08 0.02 -1.95 -3.41 113.55 117.53 3i75 h SER 109 Ca -0.49 -0.21 -0.74 0.00 -0.84 0.00 0.00 61.79 59.51 3i75 h SER 109 Cb 1.25 -0.11 -0.12 0.00 0.14 0.00 0.00 62.40 63.56 3i75 h SER 109 CO 0.60 0.86 2.41 -1.22 -1.14 0.00 0.00 176.83 178.34 3i75 n TYR 110 N -3.93 2.71 -3.22 3.45 4.02 -1.26 -4.83 117.16 114.09 3i75 n TYR 110 Ca -0.02 -2.83 -0.45 0.00 -0.01 0.00 0.00 57.90 54.58 3i75 n TYR 110 Cb 0.59 -1.93 -0.01 0.00 -0.02 0.00 0.00 39.34 37.97 3i75 n TYR 110 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3i75 s ALA 111 N -0.34 4.32 -1.34 -0.72 0.00 -1.26 -2.06 121.76 120.36 3i75 s ALA 111 Ca 0.50 -3.53 -0.01 0.00 0.00 0.00 0.00 51.96 48.92 3i75 s ALA 111 Cb 0.15 -3.71 0.01 0.00 0.00 0.00 0.00 23.12 19.57 3i75 s ALA 111 CO -0.06 -2.40 0.70 -1.33 0.00 0.00 0.00 175.76 172.67 3i75 n MET 112 N 3.93 -4.82 0.09 0.00 2.81 -0.77 -4.90 117.12 113.46 3i75 n MET 112 Ca 0.24 0.60 -0.14 0.00 -1.81 0.00 0.00 57.70 56.59 3i75 n MET 112 Cb 0.43 -5.14 -0.11 0.00 -0.71 0.00 0.00 33.22 27.68 3i75 n MET 112 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 3i75 h ASP 113 N -1.88 0.38 -4.13 7.83 -0.00 -1.76 -3.45 116.42 113.41 3i75 h ASP 113 Ca -0.61 -0.38 -0.69 0.00 -0.00 0.00 0.00 57.03 55.35 3i75 h ASP 113 Cb 1.36 -0.12 -0.24 0.00 -0.00 0.00 0.00 39.33 40.33 3i75 h ASP 113 CO 0.58 1.27 -0.86 -0.31 -0.00 0.00 0.00 179.24 179.91 3i75 s TYR 114 N -2.80 2.38 0.06 4.15 1.51 -1.26 -5.06 117.35 116.32 3i75 s TYR 114 Ca -0.04 -0.37 0.05 0.00 -1.01 0.00 0.00 57.07 55.71 3i75 s TYR 114 Cb 0.08 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 3i75 s TYR 114 CO 0.87 0.21 -0.15 -1.58 -1.11 0.00 0.00 175.55 173.79 3i75 s TRP 115 N -0.90 1.27 1.07 2.71 0.52 -1.26 -2.43 118.94 119.92 3i75 s TRP 115 Ca 0.13 -0.41 -0.13 0.00 0.02 0.00 0.00 56.10 55.71 3i75 s TRP 115 Cb -0.10 -0.73 0.23 0.00 -1.15 0.00 0.00 33.47 31.72 3i75 s TRP 115 CO 0.04 0.06 1.07 0.20 0.02 0.00 0.00 176.95 178.34 3i75 s GLY 116 N -1.48 1.55 0.00 0.98 0.00 -0.45 -4.64 107.32 103.28 3i75 s GLY 116 Ca 0.00 -0.35 0.28 0.00 0.00 0.00 0.00 44.72 44.65 3i75 s GLY 116 CO 0.02 0.32 1.82 0.61 0.00 0.00 0.00 173.10 175.86 3i75 n GLN 117 N -4.46 0.02 0.00 2.90 0.00 -1.26 -4.82 117.38 109.77 3i75 n GLN 117 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.04 3i75 n GLN 117 Cb 0.57 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.31 3i75 n GLN 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i75 n GLY 118 N 1.49 1.61 3.21 2.61 0.00 -1.26 -5.03 105.19 107.82 3i75 n GLY 118 Ca 0.07 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 3i75 n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i75 s THR 119 N -1.37 2.32 -0.07 2.61 2.01 -0.30 -4.89 115.64 115.95 3i75 s THR 119 Ca 0.00 -0.89 -0.22 0.00 0.31 0.00 0.00 61.69 60.89 3i75 s THR 119 Cb 0.00 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 3i75 s THR 119 CO 0.00 0.53 0.64 -0.55 -0.69 0.00 0.00 174.62 174.55 3i75 s SER 120 N 0.83 6.92 -0.12 3.53 0.15 -1.26 -0.00 113.70 123.75 3i75 s SER 120 Ca -0.06 1.11 0.01 0.00 0.70 0.00 0.00 55.95 57.70 3i75 s SER 120 Cb -0.15 -2.38 0.02 0.00 -1.71 0.00 0.00 66.02 61.80 3i75 s SER 120 CO -0.01 -0.05 -0.12 -0.69 1.20 0.00 0.00 173.24 173.56 3i75 s VAL 121 N 0.59 1.32 -0.14 4.45 1.01 0.07 -1.40 120.40 126.30 3i75 s VAL 121 Ca 0.34 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.83 3i75 s VAL 121 Cb -0.17 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.95 3i75 s VAL 121 CO 0.16 0.41 -0.18 -0.89 0.00 0.00 0.00 175.10 174.61 3i75 s THR 122 N 1.33 2.45 -0.34 3.92 2.01 -0.78 -1.06 115.64 123.18 3i75 s THR 122 Ca -0.00 -0.85 -0.09 0.00 0.31 0.00 0.00 61.69 61.06 3i75 s THR 122 Cb -0.14 -2.01 0.02 0.00 0.01 0.00 0.00 72.50 70.38 3i75 s THR 122 CO -0.06 0.53 0.15 -0.69 -0.69 0.00 0.00 174.62 173.86 3i75 s VAL 123 N 0.76 4.33 -0.15 3.82 1.01 -1.26 -0.61 120.40 128.29 3i75 s VAL 123 Ca -0.07 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 3i75 s VAL 123 Cb -0.16 -3.34 0.12 0.00 0.00 0.00 0.00 36.38 33.00 3i75 s VAL 123 CO 0.00 -0.10 0.97 -0.55 0.00 0.00 0.00 175.10 175.41 3i75 s SER 124 N 1.53 -0.40 0.00 3.32 0.15 0.35 -4.32 113.70 114.33 3i75 s SER 124 Ca 0.02 0.45 0.17 0.00 0.70 0.00 0.00 55.95 57.29 3i75 s SER 124 Cb -0.18 0.35 0.51 0.00 -1.71 0.00 0.00 66.02 64.98 3i75 s SER 124 CO 0.05 -0.36 1.41 -1.54 1.20 0.00 0.00 173.24 173.99 3i75 n SER 125 N 0.80 2.30 -4.81 5.45 3.41 -1.26 -4.09 113.62 115.42 3i75 n SER 125 Ca -0.11 -1.91 -0.32 0.00 -0.26 0.00 0.00 58.87 56.27 3i75 n SER 125 Cb 0.58 -0.24 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 3i75 n SER 125 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i75 s ALA 126 N -1.53 2.68 0.11 7.33 0.00 -1.26 -5.02 121.76 124.07 3i75 s ALA 126 Ca 0.32 0.24 -0.12 0.00 0.00 0.00 0.00 51.96 52.40 3i75 s ALA 126 Cb 0.17 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 3i75 s ALA 126 CO 0.24 -1.06 0.46 0.15 0.00 0.00 0.00 175.76 175.54 3i75 s LYS 127 N -4.59 3.85 0.14 0.00 -0.14 -1.26 -5.01 119.74 112.74 3i75 s LYS 127 Ca 0.61 0.31 -0.34 0.00 -1.36 0.00 0.00 55.97 55.19 3i75 s LYS 127 Cb -0.15 -2.97 -0.14 0.00 -1.68 0.00 0.00 37.83 32.88 3i75 s LYS 127 CO 0.47 0.53 1.57 2.41 -0.76 0.00 0.00 175.35 179.56 3i75 n THR 128 N 0.88 0.02 -3.82 2.17 -1.04 -1.26 -4.68 114.28 106.56 3i75 n THR 128 Ca -0.07 -0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.80 3i75 n THR 128 Cb 0.52 -1.49 -0.15 0.00 -1.82 0.00 0.00 70.33 67.39 3i75 n THR 128 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3i75 s THR 129 N 0.99 -0.03 0.59 12.58 2.01 0.22 -4.93 115.64 127.09 3i75 s THR 129 Ca 0.80 0.13 -0.15 0.00 0.31 0.00 0.00 61.69 62.77 3i75 s THR 129 Cb -0.70 -0.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 3i75 s THR 129 CO 0.39 0.06 1.04 -2.16 -0.69 0.00 0.00 174.62 173.26 3i75 s PRO 130 N 0.65 3.41 0.55 4.92 0.04 -1.26 -1.71 135.00 141.60 3i75 s PRO 130 Ca -0.05 1.12 -0.16 0.00 0.04 0.00 0.00 61.00 61.94 3i75 s PRO 130 Cb -0.08 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 3i75 s PRO 130 CO -0.02 -0.73 1.02 -1.25 0.04 0.00 0.00 177.00 176.06 3i75 s PRO 131 N -4.20 3.68 -0.03 0.56 0.04 -1.26 -4.34 135.00 129.44 3i75 s PRO 131 Ca 0.62 1.06 -0.10 0.00 0.04 0.00 0.00 61.00 62.62 3i75 s PRO 131 Cb -0.14 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 3i75 s PRO 131 CO 0.38 -0.50 0.29 -1.12 0.04 0.00 0.00 177.00 176.09 3i75 s SER 132 N -2.95 6.60 -0.20 6.66 0.01 0.29 -4.89 113.70 119.21 3i75 s SER 132 Ca 0.61 0.71 0.00 0.00 1.31 0.00 0.00 55.95 58.58 3i75 s SER 132 Cb -0.13 -2.15 0.02 0.00 0.21 0.00 0.00 66.02 63.97 3i75 s SER 132 CO 0.34 0.33 -0.16 -0.69 0.41 0.00 0.00 173.24 173.47 3i75 s VAL 133 N -1.13 2.36 -0.03 3.43 1.01 -1.26 -1.30 120.40 123.48 3i75 s VAL 133 Ca 0.22 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.38 3i75 s VAL 133 Cb -0.14 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3i75 s VAL 133 CO 0.11 0.47 -0.25 -0.31 0.00 0.00 0.00 175.10 175.12 3i75 s TYR 134 N 1.32 2.30 0.40 5.22 2.02 0.01 -4.97 117.35 123.66 3i75 s TYR 134 Ca 0.04 -0.52 -0.24 0.00 -0.37 0.00 0.00 57.07 55.99 3i75 s TYR 134 Cb -0.14 -1.49 -0.09 0.00 -0.40 0.00 0.00 41.96 39.84 3i75 s TYR 134 CO -0.10 -0.09 1.06 -1.25 -1.57 0.00 0.00 175.55 173.59 3i75 s PRO 135 N -0.45 4.15 -0.29 -1.71 0.04 -1.26 -1.16 135.00 134.31 3i75 s PRO 135 Ca 0.05 1.53 0.00 0.00 0.04 0.00 0.00 61.00 62.63 3i75 s PRO 135 Cb -0.11 -2.54 0.06 0.00 0.04 0.00 0.00 34.50 31.95 3i75 s PRO 135 CO 0.00 -0.16 -0.03 -0.51 0.04 0.00 0.00 177.00 176.35 3i75 s LEU 136 N -2.65 3.87 -0.01 -3.56 1.43 0.61 -4.85 118.68 113.52 3i75 s LEU 136 Ca 0.58 -1.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.29 3i75 s LEU 136 Cb -0.22 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.34 3i75 s LEU 136 CO 0.28 -0.26 -0.14 0.00 0.23 0.00 0.00 176.35 176.47 3i75 s ALA 137 N 1.16 1.13 0.47 4.21 0.00 -1.26 -1.35 121.76 126.12 3i75 s ALA 137 Ca -0.05 -0.59 -0.23 0.00 0.00 0.00 0.00 51.96 51.09 3i75 s ALA 137 Cb -0.20 -0.28 -0.09 0.00 0.00 0.00 0.00 23.12 22.54 3i75 s ALA 137 CO -0.03 0.28 0.99 -2.30 0.00 0.00 0.00 175.76 174.69 3i75 n PRO 138 N 2.72 1.24 0.06 0.00 -0.02 -1.26 -4.81 135.00 132.93 3i75 n PRO 138 Ca -0.14 0.45 -0.14 0.00 -2.02 0.00 0.00 63.50 61.65 3i75 n PRO 138 Cb 0.55 -2.08 -0.05 0.00 -0.02 0.00 0.00 33.50 31.91 3i75 n PRO 138 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3i75 h GLY 139 N 1.27 0.53 -1.19 -1.23 0.00 -2.00 -3.37 103.07 97.08 3i75 h GLY 139 Ca -0.46 -0.90 0.00 0.00 0.00 0.00 0.00 47.33 45.98 3i75 h GLY 139 CO 0.55 0.79 -0.09 0.00 0.00 0.00 0.00 176.54 177.79 3i75 n ALA 142 N -2.56 -2.91 -2.80 3.60 0.00 -1.26 -5.10 120.51 109.48 3i75 n ALA 142 Ca -0.07 0.05 -0.35 0.00 0.00 0.00 0.00 53.44 53.06 3i75 n ALA 142 Cb 0.82 -0.59 -0.08 0.00 0.00 0.00 0.00 19.45 19.60 3i75 n ALA 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3i75 s THR 143 N -0.19 5.08 0.36 0.00 2.01 -1.26 -5.12 115.64 116.51 3i75 s THR 143 Ca 0.00 0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.10 3i75 s THR 143 Cb 0.00 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 3i75 s THR 143 CO 0.00 0.52 0.16 0.59 -0.69 0.00 0.00 174.62 175.21 3i75 n ASN 144 N 2.88 0.74 0.21 3.53 4.13 -1.26 -5.06 115.26 120.43 3i75 n ASN 144 Ca -0.18 -3.00 0.15 0.00 1.68 0.00 0.00 54.58 53.24 3i75 n ASN 144 Cb 0.53 1.09 0.62 0.00 -1.54 0.00 0.00 39.78 40.48 3i75 n ASN 144 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 3i75 h SER 145 N 1.59 0.00 -4.28 6.41 4.64 -1.99 -3.41 113.55 116.50 3i75 h SER 145 Ca -0.27 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.36 3i75 h SER 145 Cb 1.11 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.94 3i75 h SER 145 CO 0.42 0.00 -0.88 -0.04 -0.87 0.00 0.00 176.83 175.47 3i75 s MET 146 N -3.53 1.74 0.01 4.77 -1.94 -1.26 -0.80 119.30 118.29 3i75 s MET 146 Ca 0.02 -1.11 0.05 0.00 -1.71 0.00 0.00 55.69 52.95 3i75 s MET 146 Cb 0.09 -1.93 -0.02 0.00 2.01 0.00 0.00 34.83 34.99 3i75 s MET 146 CO 0.45 0.50 -0.16 0.54 -0.01 0.00 0.00 175.02 176.34 3i75 s VAL 147 N -0.82 1.27 -0.22 -6.03 0.11 0.12 -4.63 120.40 110.20 3i75 s VAL 147 Ca 0.11 -0.86 -0.05 0.00 -2.93 0.00 0.00 61.98 58.25 3i75 s VAL 147 Cb -0.10 -1.09 -0.02 0.00 -1.53 0.00 0.00 36.38 33.64 3i75 s VAL 147 CO 0.02 0.22 0.01 -0.89 -3.33 0.00 0.00 175.10 171.13 3i75 s THR 148 N -0.58 3.92 0.45 5.04 2.01 -1.26 -0.22 115.64 125.00 3i75 s THR 148 Ca 0.05 -0.31 0.06 0.00 0.31 0.00 0.00 61.69 61.80 3i75 s THR 148 Cb -0.07 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 3i75 s THR 148 CO 0.00 0.40 0.23 -0.76 -0.69 0.00 0.00 174.62 173.80 3i75 s LEU 149 N 1.30 2.98 0.25 4.42 1.43 0.07 -4.64 118.68 124.48 3i75 s LEU 149 Ca 0.04 -1.14 -0.19 0.00 -1.03 0.00 0.00 54.13 51.81 3i75 s LEU 149 Cb -0.15 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.72 3i75 s LEU 149 CO 0.01 -0.70 0.64 -0.83 0.23 0.00 0.00 176.35 175.70 3i75 s GLY 150 N -4.00 -0.05 -0.04 -3.19 0.00 -0.46 -1.00 107.32 98.58 3i75 s GLY 150 Ca 0.37 -0.30 0.02 0.00 0.00 0.00 0.00 44.72 44.81 3i75 s GLY 150 CO 0.21 -0.17 -0.07 0.00 0.00 0.00 0.00 173.10 173.06 3i75 s LEU 152 N 0.61 3.77 -0.37 0.00 2.96 -0.31 -1.41 118.68 123.94 3i75 s LEU 152 Ca -0.10 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3i75 s LEU 152 Cb -0.13 -2.03 0.10 0.00 0.50 0.00 0.00 46.19 44.63 3i75 s LEU 152 CO 0.01 -0.03 0.12 -0.69 -1.32 0.00 0.00 176.35 174.44 3i75 s VAL 153 N 1.63 2.98 0.02 1.68 1.01 0.69 -0.81 120.40 127.60 3i75 s VAL 153 Ca 0.07 -1.99 0.08 0.00 0.00 0.00 0.00 61.98 60.14 3i75 s VAL 153 Cb -0.15 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 3i75 s VAL 153 CO 0.07 -0.55 -0.22 -0.75 0.00 0.00 0.00 175.10 173.65 3i75 s LYS 154 N 1.11 1.63 -0.16 2.72 2.20 -0.42 -0.94 119.74 125.87 3i75 s LYS 154 Ca 0.06 -0.92 -0.01 0.00 -0.36 0.00 0.00 55.97 54.74 3i75 s LYS 154 Cb -0.21 -1.69 0.00 0.00 -1.51 0.00 0.00 37.83 34.42 3i75 s LYS 154 CO -0.04 0.45 0.10 0.41 -0.36 0.00 0.00 175.35 175.90 3i75 n GLY 155 N 2.08 0.66 3.68 5.54 0.00 -0.13 -0.55 105.19 116.48 3i75 n GLY 155 Ca -0.16 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 3i75 n GLY 155 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i75 s TYR 156 N -2.80 2.73 -0.26 1.61 1.13 -0.79 -4.38 117.35 114.58 3i75 s TYR 156 Ca 0.05 -0.26 -0.25 0.00 -1.41 0.00 0.00 57.07 55.20 3i75 s TYR 156 Cb -0.02 -1.33 0.09 0.00 -1.10 0.00 0.00 41.96 39.59 3i75 s TYR 156 CO 0.06 0.54 0.81 0.12 -2.51 0.00 0.00 175.55 174.57 3i75 s PHE 157 N -2.34 -0.69 0.80 -3.49 5.36 -0.69 0.14 117.98 117.07 3i75 s PHE 157 Ca 0.33 1.66 -0.04 0.00 -0.96 0.00 0.00 56.93 57.92 3i75 s PHE 157 Cb -0.05 0.31 0.16 0.00 -0.34 0.00 0.00 43.02 43.10 3i75 s PHE 157 CO 0.21 -0.35 1.10 -1.25 -1.46 0.00 0.00 175.22 173.47 3i75 s PRO 158 N 0.23 1.25 0.78 10.12 0.04 -1.26 -0.61 135.00 145.55 3i75 s PRO 158 Ca 0.00 -1.08 -0.13 0.00 0.04 0.00 0.00 61.00 59.84 3i75 s PRO 158 Cb -0.05 -2.21 0.07 0.00 0.04 0.00 0.00 34.50 32.35 3i75 s PRO 158 CO -0.00 -1.81 1.15 -1.21 0.04 0.00 0.00 177.00 175.17 3i75 s GLU 159 N -5.37 1.95 0.49 4.56 0.41 -1.26 -4.79 118.70 114.69 3i75 s GLU 159 Ca 0.70 1.53 0.06 0.00 -0.41 0.00 0.00 54.97 56.85 3i75 s GLU 159 Cb -0.04 -1.83 0.01 0.00 -1.78 0.00 0.00 34.13 30.48 3i75 s GLU 159 CO 0.47 -1.93 0.34 -1.25 -0.49 0.00 0.00 175.26 172.40 3i75 s PRO 160 N -4.34 2.30 0.28 0.39 0.04 -1.26 -4.98 135.00 127.44 3i75 s PRO 160 Ca 0.68 -1.90 0.10 0.00 0.04 0.00 0.00 61.00 59.93 3i75 s PRO 160 Cb -0.24 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 3i75 s PRO 160 CO 0.50 -0.42 -0.16 0.14 0.04 0.00 0.00 177.00 177.11 3i75 s VAL 161 N -2.68 2.24 -0.08 -0.36 -7.23 -1.26 -4.54 120.40 106.49 3i75 s VAL 161 Ca 0.37 -2.31 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 3i75 s VAL 161 Cb -0.01 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 3i75 s VAL 161 CO 0.22 -0.38 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.60 3i75 s THR 162 N -2.65 3.04 -0.09 5.32 2.01 -0.24 -4.96 115.64 118.07 3i75 s THR 162 Ca 0.29 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.61 3i75 s THR 162 Cb -0.02 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.28 3i75 s THR 162 CO 0.14 0.57 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.79 3i75 s VAL 163 N -0.31 1.40 0.31 3.82 1.01 -1.26 -1.07 120.40 124.30 3i75 s VAL 163 Ca 0.03 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3i75 s VAL 163 Cb -0.13 -1.27 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 3i75 s VAL 163 CO 0.03 0.42 0.08 0.42 0.00 0.00 0.00 175.10 176.04 3i75 s THR 164 N 0.79 0.94 -0.09 3.92 -4.23 -0.32 -4.99 115.64 111.67 3i75 s THR 164 Ca -0.11 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.42 3i75 s THR 164 Cb -0.16 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 70.98 3i75 s THR 164 CO 0.02 0.00 -0.15 0.26 -0.54 0.00 0.00 174.62 174.21 3i75 s TRP 165 N -3.43 1.84 -1.44 3.99 0.52 -1.26 -0.14 118.94 119.02 3i75 s TRP 165 Ca 0.36 -0.77 -0.01 0.00 0.02 0.00 0.00 56.10 55.70 3i75 s TRP 165 Cb 0.08 -1.31 0.01 0.00 -1.15 0.00 0.00 33.47 31.10 3i75 s TRP 165 CO 0.15 -0.38 0.40 0.09 0.02 0.00 0.00 176.95 177.23 3i75 n ASN 166 N 3.93 -0.37 -1.75 2.95 4.13 -0.05 -2.16 115.26 121.94 3i75 n ASN 166 Ca -0.21 -1.03 -0.16 0.00 1.68 0.00 0.00 54.58 54.86 3i75 n ASN 166 Cb 0.52 -2.91 -0.05 0.00 -1.54 0.00 0.00 39.78 35.80 3i75 n ASN 166 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3i75 n SER 167 N -2.96 -4.48 0.00 6.41 7.64 -1.26 -1.35 113.62 117.62 3i75 n SER 167 Ca -0.29 0.32 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3i75 n SER 167 Cb 0.68 -3.97 0.00 0.00 -1.01 0.00 0.00 64.21 59.90 3i75 n SER 167 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i75 n GLY 168 N -0.48 2.70 0.32 0.23 0.00 -0.92 -4.99 105.19 102.05 3i75 n GLY 168 Ca -0.17 -0.77 0.08 0.00 0.00 0.00 0.00 46.02 45.16 3i75 n GLY 168 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3i75 h SER 169 N 2.00 0.59 -3.28 1.61 0.02 -1.27 -3.36 113.55 109.87 3i75 h SER 169 Ca 0.00 0.09 -0.66 0.00 -0.84 0.00 0.00 61.79 60.38 3i75 h SER 169 Cb 0.00 -0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.37 3i75 h SER 169 CO 0.00 0.24 0.19 -0.76 -1.14 0.00 0.00 176.83 175.36 3i75 s LEU 170 N -10.35 4.68 0.00 5.07 1.43 -0.99 -4.72 118.68 113.81 3i75 s LEU 170 Ca -0.12 -0.70 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 3i75 s LEU 170 Cb 0.22 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.86 3i75 s LEU 170 CO 0.79 -0.97 0.00 -1.54 0.23 0.00 0.00 176.35 174.86 3i75 n SER 171 N 6.52 3.13 -4.82 2.29 3.41 -1.26 -4.24 113.62 118.67 3i75 n SER 171 Ca -0.04 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.23 3i75 n SER 171 Cb 0.46 0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 64.78 3i75 n SER 171 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3i75 s GLY 172 N -1.86 2.47 -1.89 5.00 0.00 -1.26 -3.96 107.32 105.82 3i75 s GLY 172 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 44.72 45.08 3i75 s GLY 172 CO 0.00 0.66 0.00 0.61 0.00 0.00 0.00 173.10 174.37 3i75 n GLY 173 N -0.29 0.96 3.73 0.20 0.00 -1.26 -4.71 105.19 103.82 3i75 n GLY 173 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3i75 n GLY 173 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i75 s VAL 174 N -2.75 5.23 -0.21 1.61 1.01 -1.25 -2.28 120.40 121.75 3i75 s VAL 174 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 61.98 62.77 3i75 s VAL 174 Cb 0.00 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.67 3i75 s VAL 174 CO 0.00 0.36 -0.15 -1.00 0.00 0.00 0.00 175.10 174.32 3i75 s HIS 175 N 0.49 2.93 -0.28 5.22 3.76 -0.07 -4.98 115.29 122.37 3i75 s HIS 175 Ca 0.22 -1.69 -0.06 0.00 -0.15 0.00 0.00 55.06 53.38 3i75 s HIS 175 Cb -0.14 -1.96 0.00 0.00 1.11 0.00 0.00 32.58 31.59 3i75 s HIS 175 CO 0.08 -0.78 0.06 0.99 -0.85 0.00 0.00 174.74 174.23 3i75 s THR 176 N 1.28 3.88 0.31 1.30 2.01 -1.26 -0.24 115.64 122.92 3i75 s THR 176 Ca 0.02 -0.64 -0.21 0.00 0.31 0.00 0.00 61.69 61.17 3i75 s THR 176 Cb -0.15 -2.96 -0.09 0.00 0.01 0.00 0.00 72.50 69.31 3i75 s THR 176 CO -0.09 0.15 0.83 -0.36 -0.69 0.00 0.00 174.62 174.46 3i75 s PHE 177 N 1.50 3.53 0.39 4.92 0.08 -0.47 -5.01 117.98 122.92 3i75 s PHE 177 Ca 0.03 1.50 -0.28 0.00 0.12 0.00 0.00 56.93 58.31 3i75 s PHE 177 Cb -0.17 -2.73 -0.11 0.00 -0.57 0.00 0.00 43.02 39.45 3i75 s PHE 177 CO 0.02 0.16 1.49 -2.14 -0.10 0.00 0.00 175.22 174.64 3i75 s PRO 178 N -2.46 4.02 0.42 0.24 0.02 -1.26 -4.45 135.00 131.53 3i75 s PRO 178 Ca 0.51 2.58 -0.25 0.00 0.02 0.00 0.00 61.00 63.86 3i75 s PRO 178 Cb -0.14 -2.91 -0.08 0.00 0.02 0.00 0.00 34.50 31.39 3i75 s PRO 178 CO 0.19 -0.61 1.28 0.00 -0.33 0.00 0.00 177.00 177.54 3i75 s ALA 179 N -1.13 3.18 -0.05 -1.55 0.00 -1.26 -4.82 121.76 116.13 3i75 s ALA 179 Ca 0.54 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.73 3i75 s ALA 179 Cb -0.47 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.16 3i75 s ALA 179 CO 0.63 -0.83 -0.16 0.08 0.00 0.00 0.00 175.76 175.47 3i75 s VAL 180 N -1.31 2.89 -0.22 0.00 1.01 -0.36 -4.94 120.40 117.47 3i75 s VAL 180 Ca 0.59 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 3i75 s VAL 180 Cb -0.37 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 3i75 s VAL 180 CO 0.46 0.59 0.14 -0.22 0.00 0.00 0.00 175.10 176.07 3i75 s LEU 181 N -0.65 4.15 -0.08 3.92 2.96 -1.26 -1.94 118.68 125.78 3i75 s LEU 181 Ca 0.10 0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 54.15 3i75 s LEU 181 Cb -0.11 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.53 3i75 s LEU 181 CO 0.01 0.13 0.05 -1.58 -1.32 0.00 0.00 176.35 173.64 3i75 s GLN 182 N 0.65 0.15 -1.31 1.98 2.00 -0.48 -4.93 119.66 117.72 3i75 s GLN 182 Ca 0.08 0.18 -0.01 0.00 -2.00 0.00 0.00 55.36 53.61 3i75 s GLN 182 Cb -0.12 -0.97 -0.00 0.00 0.80 0.00 0.00 33.01 32.72 3i75 s GLN 182 CO 0.01 -0.41 0.67 0.43 -0.50 0.00 0.00 175.29 175.49 3i75 n SER 183 N 5.25 -1.29 -0.16 6.67 7.64 -1.26 -1.93 113.62 128.54 3i75 n SER 183 Ca -0.05 -0.85 -0.02 0.00 1.01 0.00 0.00 58.87 58.96 3i75 n SER 183 Cb 0.50 -3.92 -0.01 0.00 -1.01 0.00 0.00 64.21 59.77 3i75 n SER 183 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3i75 n ASP 184 N -3.04 -4.84 -4.02 6.43 8.00 -1.26 -4.99 116.55 112.84 3i75 n ASP 184 Ca -0.29 0.05 -0.20 0.00 0.71 0.00 0.00 54.79 55.05 3i75 n ASP 184 Cb 0.68 -2.51 -0.15 0.00 -0.02 0.00 0.00 41.12 39.11 3i75 n ASP 184 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3i75 s LEU 185 N -0.46 1.85 0.20 0.64 1.43 -0.81 -4.75 118.68 116.78 3i75 s LEU 185 Ca 0.00 -0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 52.76 3i75 s LEU 185 Cb 0.00 -0.57 -0.08 0.00 0.03 0.00 0.00 46.19 45.58 3i75 s LEU 185 CO 0.00 0.08 0.62 -0.31 0.23 0.00 0.00 176.35 176.97 3i75 s TYR 186 N 0.08 3.55 -0.02 0.29 2.02 0.12 -1.38 117.35 122.01 3i75 s TYR 186 Ca -0.01 1.13 0.03 0.00 -0.37 0.00 0.00 57.07 57.85 3i75 s TYR 186 Cb -0.08 -2.44 -0.00 0.00 -0.40 0.00 0.00 41.96 39.05 3i75 s TYR 186 CO 0.00 0.33 -0.11 0.99 -1.57 0.00 0.00 175.55 175.19 3i75 s THR 187 N -1.61 0.93 0.09 -0.71 2.01 -0.82 -0.95 115.64 114.58 3i75 s THR 187 Ca 0.43 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.98 3i75 s THR 187 Cb -0.14 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 3i75 s THR 187 CO 0.20 0.28 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.14 3i75 s LEU 188 N 0.03 2.43 0.09 4.42 0.20 -0.11 -1.23 118.68 124.50 3i75 s LEU 188 Ca -0.01 -1.03 0.02 0.00 0.69 0.00 0.00 54.13 53.80 3i75 s LEU 188 Cb -0.08 0.03 -0.04 0.00 -0.43 0.00 0.00 46.19 45.68 3i75 s LEU 188 CO 0.00 -0.53 -0.07 -0.94 -0.29 0.00 0.00 176.35 174.52 3i75 s SER 189 N -3.02 1.13 -0.01 3.68 1.04 -1.26 -0.22 113.70 115.04 3i75 s SER 189 Ca 0.12 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.68 3i75 s SER 189 Cb 0.06 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.26 3i75 s SER 189 CO -0.05 -0.37 0.00 -0.55 0.98 0.00 0.00 173.24 173.25 3i75 s SER 190 N -2.62 0.17 0.07 7.02 0.15 -0.50 -1.37 113.70 116.62 3i75 s SER 190 Ca 0.06 -0.01 0.05 0.00 0.70 0.00 0.00 55.95 56.76 3i75 s SER 190 Cb 0.01 -0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 3i75 s SER 190 CO -0.03 -0.05 -0.07 -0.94 1.20 0.00 0.00 173.24 173.35 3i75 s SER 191 N 0.49 4.58 0.00 5.45 1.04 0.67 -1.40 113.70 124.53 3i75 s SER 191 Ca -0.04 -0.26 0.02 0.00 0.48 0.00 0.00 55.95 56.14 3i75 s SER 191 Cb -0.07 -0.99 -0.01 0.00 0.10 0.00 0.00 66.02 65.06 3i75 s SER 191 CO -0.01 0.21 -0.07 0.54 0.98 0.00 0.00 173.24 174.90 3i75 s VAL 192 N -1.15 0.52 -0.15 5.02 0.11 -0.17 -0.89 120.40 123.69 3i75 s VAL 192 Ca 0.21 -0.42 0.01 0.00 -2.93 0.00 0.00 61.98 58.85 3i75 s VAL 192 Cb -0.11 -0.46 -0.00 0.00 -1.53 0.00 0.00 36.38 34.27 3i75 s VAL 192 CO 0.12 0.05 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.90 3i75 s THR 193 N -0.36 2.63 0.17 5.04 2.01 -0.97 -0.75 115.64 123.41 3i75 s THR 193 Ca 0.00 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.24 3i75 s THR 193 Cb -0.04 -2.10 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 3i75 s THR 193 CO -0.00 0.52 -0.02 0.68 -0.69 0.00 0.00 174.62 175.11 3i75 s VAL 194 N 0.73 0.80 0.15 3.82 -7.23 0.70 -4.74 120.40 114.61 3i75 s VAL 194 Ca -0.07 -1.99 -0.31 0.00 -1.81 0.00 0.00 61.98 57.79 3i75 s VAL 194 Cb -0.16 -2.05 -0.11 0.00 0.56 0.00 0.00 36.38 34.63 3i75 s VAL 194 CO 0.01 -0.55 1.79 -2.84 -0.31 0.00 0.00 175.10 173.20 3i75 s PRO 195 N -3.87 4.14 0.61 4.82 0.02 -1.26 0.14 135.00 139.59 3i75 s PRO 195 Ca 0.22 2.59 0.30 0.00 0.02 0.00 0.00 61.00 64.12 3i75 s PRO 195 Cb 0.05 -3.43 1.59 0.00 0.02 0.00 0.00 34.50 32.74 3i75 s PRO 195 CO 0.03 -0.81 1.97 0.66 -0.33 0.00 0.00 177.00 178.52 3i75 h SER 196 N 8.02 0.00 0.34 2.53 4.64 -1.20 0.49 113.55 128.37 3i75 h SER 196 Ca -0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 3i75 h SER 196 Cb 1.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3i75 h SER 196 CO 0.95 0.00 -0.03 0.77 -0.87 0.00 0.00 176.83 177.65 3i75 h SER 197 N 0.00 0.00 -0.01 4.97 4.64 -1.88 -3.19 113.55 118.07 3i75 h SER 197 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3i75 h SER 197 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3i75 h SER 197 CO -0.00 0.03 -0.61 0.35 -0.87 0.00 0.00 176.83 175.73 3i75 n THR 198 N -3.28 0.00 -3.79 2.95 -2.24 0.17 -4.71 114.28 103.38 3i75 n THR 198 Ca -0.02 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 3i75 n THR 198 Cb 0.17 1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 69.44 3i75 n THR 198 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3i75 s TRP 199 N -2.49 -0.25 -0.52 4.78 -0.00 -1.21 -1.73 118.94 117.53 3i75 s TRP 199 Ca 0.13 0.60 0.07 0.00 -0.00 0.00 0.00 56.10 56.91 3i75 s TRP 199 Cb 0.16 0.08 0.47 0.00 -0.00 0.00 0.00 33.47 34.19 3i75 s TRP 199 CO 0.62 -0.15 1.27 -0.35 -0.00 0.00 0.00 176.95 178.35 3i75 n PRO 200 N 2.81 3.11 0.22 5.86 -0.04 -1.26 -4.71 135.00 140.99 3i75 n PRO 200 Ca -0.14 -1.84 0.08 0.00 -0.04 0.00 0.00 63.50 61.56 3i75 n PRO 200 Cb 0.58 -1.92 0.53 0.00 -0.04 0.00 0.00 33.50 32.65 3i75 n PRO 200 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i75 h SER 201 N 2.13 0.00 -2.55 3.54 4.64 -1.85 -3.44 113.55 116.02 3i75 h SER 201 Ca 0.05 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.81 3i75 h SER 201 Cb 1.47 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.42 3i75 h SER 201 CO 0.34 0.24 -0.56 -1.61 -0.87 0.00 0.00 176.83 174.37 3i75 s GLU 202 N -4.11 1.88 -0.15 4.77 8.01 -0.71 -5.11 118.70 123.28 3i75 s GLU 202 Ca -0.02 -2.11 -0.16 0.00 0.01 0.00 0.00 54.97 52.69 3i75 s GLU 202 Cb 0.13 -0.97 -0.04 0.00 -4.31 0.00 0.00 34.13 28.94 3i75 s GLU 202 CO 0.65 -0.31 0.37 0.99 0.01 0.00 0.00 175.26 176.97 3i75 s THR 203 N -3.13 5.25 -0.08 3.63 2.01 -1.26 -4.63 115.64 117.43 3i75 s THR 203 Ca 0.26 0.71 0.00 0.00 0.31 0.00 0.00 61.69 62.97 3i75 s THR 203 Cb 0.05 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.88 3i75 s THR 203 CO 0.13 0.35 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.66 3i75 s VAL 204 N 0.64 0.77 -0.03 3.82 1.01 -1.26 -5.00 120.40 120.34 3i75 s VAL 204 Ca 0.20 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.02 3i75 s VAL 204 Cb -0.14 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.44 3i75 s VAL 204 CO 0.07 0.30 -0.10 -0.89 0.00 0.00 0.00 175.10 174.48 3i75 s THR 205 N 1.40 0.85 -0.11 3.92 2.01 -1.26 -0.80 115.64 121.63 3i75 s THR 205 Ca -0.02 -0.38 -0.07 0.00 0.31 0.00 0.00 61.69 61.52 3i75 s THR 205 Cb -0.13 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 3i75 s THR 205 CO -0.03 0.27 0.15 0.00 -0.69 0.00 0.00 174.62 174.32 3i75 s ASN 207 N -1.03 4.17 -0.08 0.00 -0.87 0.80 -0.78 114.94 117.16 3i75 s ASN 207 Ca 0.15 -0.45 0.04 0.00 -1.57 0.00 0.00 52.86 51.03 3i75 s ASN 207 Cb -0.12 -1.71 -0.00 0.00 -0.02 0.00 0.00 41.25 39.40 3i75 s ASN 207 CO 0.04 -0.03 -0.23 -0.69 -2.57 0.00 0.00 177.10 173.63 3i75 s VAL 208 N 1.45 1.97 -0.04 1.60 1.01 -0.12 -1.18 120.40 125.08 3i75 s VAL 208 Ca 0.05 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.12 3i75 s VAL 208 Cb -0.14 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 3i75 s VAL 208 CO -0.04 0.54 -0.24 0.00 0.00 0.00 0.00 175.10 175.36 3i75 s ALA 209 N 0.23 2.06 -0.53 5.51 0.00 -0.23 -0.50 121.76 128.29 3i75 s ALA 209 Ca -0.14 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 50.83 3i75 s ALA 209 Cb -0.17 -0.59 0.15 0.00 0.00 0.00 0.00 23.12 22.51 3i75 s ALA 209 CO 0.07 0.44 0.32 -1.58 0.00 0.00 0.00 175.76 175.01 3i75 s HIS 210 N -0.32 2.72 0.30 0.00 2.46 -0.61 -1.08 115.29 118.76 3i75 s HIS 210 Ca 0.02 -2.91 0.04 0.00 0.47 0.00 0.00 55.06 52.69 3i75 s HIS 210 Cb -0.12 -2.33 0.67 0.00 -0.13 0.00 0.00 32.58 30.67 3i75 s HIS 210 CO 0.02 -0.71 1.81 -1.35 -2.47 0.00 0.00 174.74 172.04 3i75 h PRO 211 N 6.22 0.84 -0.85 2.88 0.11 -1.80 -1.71 132.00 137.69 3i75 h PRO 211 Ca 0.03 -0.05 0.16 0.00 0.11 0.00 0.00 66.00 66.25 3i75 h PRO 211 Cb 0.87 -0.19 -0.06 0.00 0.11 0.00 0.00 31.00 31.73 3i75 h PRO 211 CO 0.60 0.55 0.56 0.00 -0.21 0.00 0.00 178.00 179.51 3i75 h ALA 212 N 1.59 2.03 -0.23 -0.75 0.00 -1.92 0.30 119.26 120.29 3i75 h ALA 212 Ca 0.53 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.45 3i75 h ALA 212 Cb 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3i75 h ALA 212 CO -0.31 -0.28 0.00 -1.13 0.00 0.00 0.00 179.25 177.54 3i75 n SER 213 N -4.52 3.04 -3.23 0.00 3.41 -0.71 -4.99 113.62 106.63 3i75 n SER 213 Ca 0.17 -1.95 -0.20 0.00 -0.26 0.00 0.00 58.87 56.63 3i75 n SER 213 Cb 0.56 -0.14 0.07 0.00 -0.26 0.00 0.00 64.21 64.44 3i75 n SER 213 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3i75 n SER 214 N 1.27 -5.31 -4.41 4.04 7.64 0.10 -4.98 113.62 111.98 3i75 n SER 214 Ca 0.17 -0.49 -0.33 0.00 1.01 0.00 0.00 58.87 59.23 3i75 n SER 214 Cb 0.57 -4.53 -0.14 0.00 -1.01 0.00 0.00 64.21 59.10 3i75 n SER 214 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3i75 s THR 215 N -3.29 3.35 -0.05 0.44 2.01 -1.07 -5.01 115.64 112.01 3i75 s THR 215 Ca 0.44 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.90 3i75 s THR 215 Cb -0.19 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 69.90 3i75 s THR 215 CO 0.65 0.51 -0.05 -0.54 -0.69 0.00 0.00 174.62 174.49 3i75 s LYS 216 N 0.40 0.98 0.02 4.92 1.02 -1.26 -1.57 119.74 124.25 3i75 s LYS 216 Ca -0.08 -0.14 0.06 0.00 0.02 0.00 0.00 55.97 55.83 3i75 s LYS 216 Cb -0.15 -0.97 -0.02 0.00 -0.52 0.00 0.00 37.83 36.16 3i75 s LYS 216 CO 0.04 -0.09 -0.18 0.08 -0.92 0.00 0.00 175.35 174.29 3i75 s VAL 217 N 1.00 1.41 -0.16 3.17 1.01 0.34 -5.00 120.40 122.17 3i75 s VAL 217 Ca -0.10 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 3i75 s VAL 217 Cb -0.14 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.00 3i75 s VAL 217 CO -0.00 0.23 -0.08 -1.81 0.00 0.00 0.00 175.10 173.44 3i75 s ASP 218 N -0.86 4.31 -0.22 3.32 1.01 -1.26 -0.95 116.67 122.02 3i75 s ASP 218 Ca 0.06 -0.28 0.01 0.00 0.71 0.00 0.00 52.55 53.04 3i75 s ASP 218 Cb -0.08 -1.69 0.05 0.00 1.01 0.00 0.00 42.92 42.22 3i75 s ASP 218 CO 0.01 0.12 -0.07 -0.75 0.21 0.00 0.00 175.17 174.69 3i75 s LYS 219 N 0.61 1.80 0.05 8.23 2.47 0.04 -4.98 119.74 127.97 3i75 s LYS 219 Ca -0.05 -0.97 -0.31 0.00 -1.56 0.00 0.00 55.97 53.08 3i75 s LYS 219 Cb -0.15 -2.55 -0.06 0.00 -1.46 0.00 0.00 37.83 33.61 3i75 s LYS 219 CO 0.03 -0.54 1.28 0.21 0.16 0.00 0.00 175.35 176.49 3i75 s LYS 220 N 1.37 4.37 -0.34 4.03 2.20 -1.26 -0.69 119.74 129.42 3i75 s LYS 220 Ca -0.05 1.87 -0.24 0.00 -0.36 0.00 0.00 55.97 57.20 3i75 s LYS 220 Cb -0.18 -3.39 0.01 0.00 -1.51 0.00 0.00 37.83 32.76 3i75 s LYS 220 CO -0.07 -0.38 0.82 0.42 -0.36 0.00 0.00 175.35 175.78 3i75 s ILE 221 N 1.44 4.73 0.14 5.43 -1.09 0.02 -4.91 121.20 126.96 3i75 s ILE 221 Ca 0.61 1.09 0.11 0.00 -2.23 0.00 0.00 60.65 60.22 3i75 s ILE 221 Cb -0.31 -4.21 -0.04 0.00 -1.58 0.00 0.00 42.46 36.32 3i75 s ILE 221 CO 0.28 -0.37 -0.24 0.68 -1.23 0.00 0.00 174.94 174.06 3i75 s VAL 222 N 3.11 2.44 0.77 2.92 -7.23 -1.26 -4.64 120.40 116.52 3i75 s VAL 222 Ca 0.33 -1.74 -0.14 0.00 -1.81 0.00 0.00 61.98 58.62 3i75 s VAL 222 Cb -0.13 -2.11 0.06 0.00 0.56 0.00 0.00 36.38 34.76 3i75 s VAL 222 CO 0.15 0.05 1.21 -0.81 -0.31 0.00 0.00 175.10 175.39 3i75 n PRO 223 N 0.75 0.38 -2.79 4.82 -0.04 -1.26 -4.78 135.00 132.07 3i75 n PRO 223 Ca -0.16 0.20 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 3i75 n PRO 223 Cb 0.53 -2.45 -0.04 0.00 -0.04 0.00 0.00 33.50 31.51 3i75 n PRO 223 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3i75 s ARG 224 N -3.93 4.59 0.00 0.54 3.00 -1.26 -5.10 118.95 116.79 3i75 s ARG 224 Ca 0.75 1.33 0.29 0.00 -1.00 0.00 0.00 55.73 57.10 3i75 s ARG 224 Cb -0.31 -3.41 1.26 0.00 0.00 0.00 0.00 34.95 32.48 3i75 s ARG 224 CO 0.49 0.12 1.86 -3.47 0.00 0.00 0.00 175.30 174.30