#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hi1 s VAL 2 N 0.00 4.09 -0.04 5.09 1.01 -1.26 -4.31 120.40 124.97 3hi1 s VAL 2 Ca 0.00 1.49 0.02 0.00 0.00 0.00 0.00 61.98 63.49 3hi1 s VAL 2 Cb 0.00 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.43 3hi1 s VAL 2 CO 0.00 0.10 -0.09 -1.10 0.00 0.00 0.00 175.10 174.01 3hi1 s GLN 3 N 1.22 1.10 0.11 2.72 -0.21 0.93 -4.87 119.66 120.66 3hi1 s GLN 3 Ca 0.58 -0.28 0.04 0.00 0.02 0.00 0.00 55.36 55.72 3hi1 s GLN 3 Cb -0.29 -1.00 -0.04 0.00 1.00 0.00 0.00 33.01 32.69 3hi1 s GLN 3 CO 0.28 0.05 0.11 -0.51 -2.12 0.00 0.00 175.29 173.10 3hi1 s LEU 4 N 0.48 3.82 -0.29 2.90 1.43 -1.26 -1.31 118.68 124.45 3hi1 s LEU 4 Ca -0.08 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 3hi1 s LEU 4 Cb -0.12 -2.47 0.15 0.00 0.03 0.00 0.00 46.19 43.77 3hi1 s LEU 4 CO 0.01 0.13 0.34 -1.58 0.23 0.00 0.00 176.35 175.48 3hi1 s GLN 5 N -2.68 0.36 0.95 1.70 2.00 -0.36 -4.45 119.66 117.17 3hi1 s GLN 5 Ca 0.30 -0.06 -0.12 0.00 -2.00 0.00 0.00 55.36 53.48 3hi1 s GLN 5 Cb -0.11 -0.53 0.16 0.00 0.80 0.00 0.00 33.01 33.33 3hi1 s GLN 5 CO 0.23 -1.04 1.11 -1.83 -0.50 0.00 0.00 175.29 173.26 3hi1 s GLU 6 N 2.41 0.82 -0.29 1.67 1.03 -1.26 -0.69 118.70 122.39 3hi1 s GLU 6 Ca 0.10 0.47 -0.26 0.00 0.03 0.00 0.00 54.97 55.31 3hi1 s GLU 6 Cb -0.13 -1.79 0.18 0.00 -0.80 0.00 0.00 34.13 31.59 3hi1 s GLU 6 CO -0.31 -2.45 1.35 -1.54 -1.33 0.00 0.00 175.26 170.97 3hi1 s SER 7 N -3.67 -0.12 0.00 0.83 1.04 -0.31 -4.89 113.70 106.58 3hi1 s SER 7 Ca 0.64 0.21 0.00 0.00 0.48 0.00 0.00 55.95 57.28 3hi1 s SER 7 Cb -0.17 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.15 3hi1 s SER 7 CO 0.56 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.33 3hi1 n GLY 8 N 1.42 0.19 3.68 7.32 0.00 -1.26 -1.53 105.19 115.01 3hi1 n GLY 8 Ca -0.09 -1.44 -0.45 0.00 0.00 0.00 0.00 46.02 44.04 3hi1 n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hi1 n PRO 9 N -1.26 2.32 0.14 1.61 -0.04 -1.26 -4.87 135.00 131.62 3hi1 n PRO 9 Ca 0.00 0.84 -0.01 0.00 -0.04 0.00 0.00 63.50 64.29 3hi1 n PRO 9 Cb 0.00 -2.64 0.24 0.00 -0.04 0.00 0.00 33.50 31.06 3hi1 n PRO 9 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3hi1 h GLY 10 N 6.82 0.08 -4.77 0.55 0.00 -1.94 -3.44 103.07 100.37 3hi1 h GLY 10 Ca -0.45 -0.09 -0.70 0.00 0.00 0.00 0.00 47.33 46.09 3hi1 h GLY 10 CO 0.91 0.08 -0.85 -2.27 0.00 0.00 0.00 176.54 174.42 3hi1 s LEU 11 N -7.98 2.30 -0.05 3.11 2.96 -1.26 0.37 118.68 118.14 3hi1 s LEU 11 Ca -0.03 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 3hi1 s LEU 11 Cb 0.13 -1.42 0.04 0.00 0.50 0.00 0.00 46.19 45.44 3hi1 s LEU 11 CO 0.76 0.32 0.09 -0.69 -1.32 0.00 0.00 176.35 175.50 3hi1 s VAL 12 N -0.59 -0.08 0.50 1.68 1.01 0.65 -4.92 120.40 118.65 3hi1 s VAL 12 Ca 0.09 0.24 -0.20 0.00 0.00 0.00 0.00 61.98 62.10 3hi1 s VAL 12 Cb -0.11 -0.17 -0.07 0.00 0.00 0.00 0.00 36.38 36.03 3hi1 s VAL 12 CO 0.00 0.10 1.10 -0.54 0.00 0.00 0.00 175.10 175.76 3hi1 s LYS 13 N 1.36 3.60 0.44 2.72 1.02 -1.25 -0.63 119.74 127.00 3hi1 s LYS 13 Ca -0.06 1.56 -0.23 0.00 0.02 0.00 0.00 55.97 57.25 3hi1 s LYS 13 Cb -0.12 -2.13 -0.11 0.00 -0.52 0.00 0.00 37.83 34.95 3hi1 s LYS 13 CO -0.04 -0.64 0.85 -2.30 -0.92 0.00 0.00 175.35 172.30 3hi1 n PRO 14 N -1.00 1.05 0.00 -1.68 -0.02 -1.26 -2.15 135.00 129.94 3hi1 n PRO 14 Ca 0.10 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3hi1 n PRO 14 Cb 0.51 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3hi1 n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hi1 n SER 15 N 0.64 0.00 -4.34 2.55 3.41 0.14 -4.89 113.62 111.13 3hi1 n SER 15 Ca 0.11 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.42 3hi1 n SER 15 Cb 0.40 -0.14 0.17 0.00 -0.26 0.00 0.00 64.21 64.37 3hi1 n SER 15 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hi1 s GLU 16 N 0.00 0.72 0.20 4.33 2.02 -0.91 -3.56 118.70 121.50 3hi1 s GLU 16 Ca 0.00 -0.15 0.06 0.00 0.02 0.00 0.00 54.97 54.90 3hi1 s GLU 16 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 3hi1 s GLU 16 CO 0.00 -2.40 0.11 0.95 0.02 0.00 0.00 175.26 173.94 3hi1 s THR 17 N -3.61 4.21 -0.12 3.63 -4.23 -1.26 -0.55 115.64 113.71 3hi1 s THR 17 Ca 0.70 -1.32 -0.05 0.00 -1.18 0.00 0.00 61.69 59.84 3hi1 s THR 17 Cb -0.08 -3.19 -0.04 0.00 1.34 0.00 0.00 72.50 70.54 3hi1 s THR 17 CO 0.53 -0.20 0.04 -0.22 -0.54 0.00 0.00 174.62 174.23 3hi1 s LEU 18 N -3.32 3.78 -0.07 4.79 2.96 0.17 -4.91 118.68 122.08 3hi1 s LEU 18 Ca 0.31 0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 3hi1 s LEU 18 Cb -0.09 -1.91 0.01 0.00 0.50 0.00 0.00 46.19 44.71 3hi1 s LEU 18 CO 0.22 0.31 -0.13 -0.94 -1.32 0.00 0.00 176.35 174.50 3hi1 s SER 19 N -0.48 1.93 0.14 3.68 1.04 -1.26 -0.87 113.70 117.87 3hi1 s SER 19 Ca 0.10 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.24 3hi1 s SER 19 Cb -0.12 -0.89 -0.04 0.00 0.10 0.00 0.00 66.02 65.07 3hi1 s SER 19 CO 0.02 0.04 -0.09 -0.76 0.98 0.00 0.00 173.24 173.43 3hi1 s LEU 20 N 0.67 2.52 -0.05 2.42 1.43 -0.92 -4.24 118.68 120.52 3hi1 s LEU 20 Ca -0.14 -1.01 -0.02 0.00 -1.03 0.00 0.00 54.13 51.93 3hi1 s LEU 20 Cb -0.16 -0.28 0.04 0.00 0.03 0.00 0.00 46.19 45.81 3hi1 s LEU 20 CO 0.04 -0.36 0.09 -0.89 0.23 0.00 0.00 176.35 175.46 3hi1 s THR 21 N -3.39 -0.11 -0.13 5.49 2.01 -0.58 -1.11 115.64 117.82 3hi1 s THR 21 Ca 0.16 0.29 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 3hi1 s THR 21 Cb 0.03 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 72.32 3hi1 s THR 21 CO -0.01 0.12 0.18 0.00 -0.69 0.00 0.00 174.62 174.22 3hi1 s THR 23 N -0.66 2.22 -0.01 0.00 2.01 0.14 -2.04 115.64 117.30 3hi1 s THR 23 Ca 0.15 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 3hi1 s THR 23 Cb -0.12 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 3hi1 s THR 23 CO 0.04 0.55 0.27 -0.69 -0.69 0.00 0.00 174.62 174.10 3hi1 s VAL 24 N 0.55 5.29 0.01 3.82 1.01 -1.01 -1.23 120.40 128.84 3hi1 s VAL 24 Ca -0.13 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 3hi1 s VAL 24 Cb -0.17 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.66 3hi1 s VAL 24 CO 0.04 0.41 0.21 -0.94 0.00 0.00 0.00 175.10 174.82 3hi1 s SER 25 N -1.56 -0.04 0.00 3.32 1.04 -0.43 -4.85 113.70 111.19 3hi1 s SER 25 Ca 0.26 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.52 3hi1 s SER 25 Cb -0.13 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3hi1 s SER 25 CO 0.14 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.52 3hi1 n GLY 26 N 1.16 3.04 0.00 7.32 0.00 -1.26 -0.05 105.19 115.40 3hi1 n GLY 26 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3hi1 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hi1 n GLY 27 N -1.46 5.57 2.84 -0.02 0.00 -1.26 -4.45 105.19 106.41 3hi1 n GLY 27 Ca 0.00 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 3hi1 n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hi1 s SER 28 N 0.70 0.05 0.40 1.61 0.15 -1.26 -5.01 113.70 110.33 3hi1 s SER 28 Ca 0.00 0.01 0.10 0.00 0.70 0.00 0.00 55.95 56.76 3hi1 s SER 28 Cb 0.00 -0.03 0.90 0.00 -1.71 0.00 0.00 66.02 65.18 3hi1 s SER 28 CO 0.00 -0.04 1.95 0.40 1.20 0.00 0.00 173.24 176.75 3hi1 h ILE 29 N 5.52 0.92 -1.54 6.45 2.04 -1.92 -3.44 117.51 125.54 3hi1 h ILE 29 Ca -0.31 -0.20 -0.69 0.00 1.00 0.00 0.00 64.86 64.66 3hi1 h ILE 29 Cb 1.18 0.30 0.07 0.00 -0.74 0.00 0.00 36.82 37.63 3hi1 h ILE 29 CO 0.50 0.10 0.12 -1.20 0.00 0.00 0.00 178.15 177.68 3hi1 n SER 30 N -4.49 0.67 0.00 1.72 7.64 -1.26 -1.95 113.62 115.95 3hi1 n SER 30 Ca 0.12 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.14 3hi1 n SER 30 Cb 0.35 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 3hi1 n SER 30 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hi1 n SER 31 N 1.94 0.00 -4.67 6.43 7.64 -1.26 -5.00 113.62 118.71 3hi1 n SER 31 Ca 0.17 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.80 3hi1 n SER 31 Cb 0.20 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.32 3hi1 n SER 31 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3hi1 s HIS 32 N -2.38 2.58 0.09 1.43 4.02 -0.82 -4.47 115.29 115.73 3hi1 s HIS 32 Ca 0.00 -0.47 0.01 0.00 1.02 0.00 0.00 55.06 55.62 3hi1 s HIS 32 Cb 0.00 -1.62 -0.04 0.00 -1.02 0.00 0.00 32.58 29.90 3hi1 s HIS 32 CO 0.00 0.40 0.22 0.71 1.02 0.00 0.00 174.74 177.09 3hi1 s TYR 33 N -2.53 3.49 -0.06 1.40 1.51 -1.26 -1.99 117.35 117.91 3hi1 s TYR 33 Ca 0.36 0.20 -0.02 0.00 -1.01 0.00 0.00 57.07 56.60 3hi1 s TYR 33 Cb 0.01 -1.72 0.04 0.00 -0.11 0.00 0.00 41.96 40.17 3hi1 s TYR 33 CO 0.20 0.57 0.11 -1.58 -1.11 0.00 0.00 175.55 173.74 3hi1 s TRP 34 N -1.57 -0.09 0.17 2.71 0.52 -0.68 -0.88 118.94 119.11 3hi1 s TRP 34 Ca 0.35 0.42 0.09 0.00 0.02 0.00 0.00 56.10 56.98 3hi1 s TRP 34 Cb -0.12 -0.26 -0.04 0.00 -1.15 0.00 0.00 33.47 31.90 3hi1 s TRP 34 CO 0.28 -0.19 -0.14 -1.12 0.02 0.00 0.00 176.95 175.80 3hi1 s SER 35 N 1.75 4.05 -0.06 2.95 0.01 0.15 -0.95 113.70 121.61 3hi1 s SER 35 Ca -0.02 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.65 3hi1 s SER 35 Cb -0.12 -0.61 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 3hi1 s SER 35 CO -0.05 0.12 -0.12 0.26 0.41 0.00 0.00 173.24 173.87 3hi1 s TRP 36 N -1.57 2.79 0.01 2.43 0.52 -0.78 -0.71 118.94 121.63 3hi1 s TRP 36 Ca 0.23 -0.12 0.01 0.00 0.02 0.00 0.00 56.10 56.24 3hi1 s TRP 36 Cb -0.09 -1.67 -0.01 0.00 -1.15 0.00 0.00 33.47 30.55 3hi1 s TRP 36 CO 0.13 0.21 -0.05 0.42 0.02 0.00 0.00 176.95 177.69 3hi1 s ILE 37 N -0.69 0.33 0.14 2.03 1.09 0.18 -1.12 121.20 123.16 3hi1 s ILE 37 Ca 0.10 -0.40 0.07 0.00 -1.10 0.00 0.00 60.65 59.32 3hi1 s ILE 37 Cb -0.11 -0.33 -0.04 0.00 -1.06 0.00 0.00 42.46 40.92 3hi1 s ILE 37 CO 0.01 -0.05 -0.15 0.00 -0.10 0.00 0.00 174.94 174.64 3hi1 s ARG 38 N -0.49 1.12 -0.06 2.79 1.70 -0.19 0.17 118.95 123.99 3hi1 s ARG 38 Ca -0.02 -1.32 -0.02 0.00 -0.47 0.00 0.00 55.73 53.89 3hi1 s ARG 38 Cb -0.04 -1.04 0.04 0.00 -0.57 0.00 0.00 34.95 33.34 3hi1 s ARG 38 CO -0.00 0.20 0.10 -1.14 -1.08 0.00 0.00 175.30 173.38 3hi1 s GLN 39 N -2.82 -0.04 0.50 3.89 0.74 0.08 -0.56 119.66 121.45 3hi1 s GLN 39 Ca 0.12 0.45 -0.19 0.00 0.05 0.00 0.00 55.36 55.79 3hi1 s GLN 39 Cb -0.05 -0.42 -0.08 0.00 1.10 0.00 0.00 33.01 33.57 3hi1 s GLN 39 CO 0.04 -0.32 1.01 -1.12 -0.55 0.00 0.00 175.29 174.35 3hi1 s SER 40 N 2.21 6.43 0.01 6.67 0.01 -1.26 -0.89 113.70 126.88 3hi1 s SER 40 Ca 0.04 1.77 -0.37 0.00 1.31 0.00 0.00 55.95 58.70 3hi1 s SER 40 Cb -0.12 -2.54 -0.16 0.00 0.21 0.00 0.00 66.02 63.42 3hi1 s SER 40 CO -0.04 -0.72 1.51 -2.65 0.41 0.00 0.00 173.24 171.75 3hi1 n PRO 41 N -1.26 1.41 0.00 12.44 -0.02 -1.26 -0.44 135.00 145.87 3hi1 n PRO 41 Ca 0.08 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3hi1 n PRO 41 Cb 0.53 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3hi1 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hi1 n GLY 42 N 3.17 1.88 1.20 -1.23 0.00 -1.26 -4.94 105.19 104.01 3hi1 n GLY 42 Ca 0.20 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 3hi1 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hi1 n LYS 43 N -1.51 -0.49 -1.45 1.61 4.76 0.41 -5.10 118.16 116.39 3hi1 n LYS 43 Ca 0.00 -0.64 -0.06 0.00 -2.87 0.00 0.00 58.31 54.74 3hi1 n LYS 43 Cb 0.00 -0.43 0.02 0.00 -1.84 0.00 0.00 35.03 32.78 3hi1 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hi1 n GLY 44 N 2.15 1.58 3.79 0.72 0.00 -1.26 -4.69 105.19 107.48 3hi1 n GLY 44 Ca 0.05 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.58 3hi1 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hi1 s LEU 45 N 0.00 4.56 -0.14 0.99 1.43 -1.26 -4.02 118.68 120.25 3hi1 s LEU 45 Ca 0.18 1.46 -0.01 0.00 -1.03 0.00 0.00 54.13 54.73 3hi1 s LEU 45 Cb -0.01 -3.12 0.04 0.00 0.03 0.00 0.00 46.19 43.12 3hi1 s LEU 45 CO 0.12 0.23 -0.02 -1.58 0.23 0.00 0.00 176.35 175.33 3hi1 s GLN 46 N -1.16 1.06 0.19 1.70 0.74 0.27 -5.01 119.66 117.46 3hi1 s GLN 46 Ca 0.33 -0.27 -0.30 0.00 0.05 0.00 0.00 55.36 55.16 3hi1 s GLN 46 Cb -0.21 -1.66 -0.09 0.00 1.10 0.00 0.00 33.01 32.15 3hi1 s GLN 46 CO 0.23 -0.41 1.38 -0.46 -0.55 0.00 0.00 175.29 175.48 3hi1 s TRP 47 N 1.79 3.18 -0.24 1.67 -0.00 -1.26 -1.03 118.94 123.05 3hi1 s TRP 47 Ca 0.02 1.08 -0.06 0.00 -0.00 0.00 0.00 56.10 57.14 3hi1 s TRP 47 Cb -0.14 -3.69 -0.17 0.00 -0.00 0.00 0.00 33.47 29.46 3hi1 s TRP 47 CO -0.07 -2.28 -0.14 -0.89 -0.00 0.00 0.00 176.95 173.57 3hi1 n ILE 48 N 2.91 1.55 -0.40 5.86 5.41 -0.28 -4.72 119.36 129.69 3hi1 n ILE 48 Ca 0.08 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.35 3hi1 n ILE 48 Cb 0.42 -1.66 0.00 0.00 -0.71 0.00 0.00 39.64 37.69 3hi1 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hi1 n GLY 49 N 1.85 -2.76 3.34 7.39 0.00 -1.21 -0.52 105.19 113.28 3hi1 n GLY 49 Ca -0.45 -1.31 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 3hi1 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hi1 s TYR 50 N -2.10 1.01 -0.01 1.61 1.13 -0.37 -1.87 117.35 116.75 3hi1 s TYR 50 Ca 0.00 -1.23 0.01 0.00 -1.41 0.00 0.00 57.07 54.43 3hi1 s TYR 50 Cb 0.00 -0.33 0.01 0.00 -1.10 0.00 0.00 41.96 40.53 3hi1 s TYR 50 CO 0.00 -0.81 -0.02 -1.50 -2.51 0.00 0.00 175.55 170.71 3hi1 s ILE 51 N -3.92 0.17 0.36 -3.49 2.07 -0.12 -1.51 121.20 114.76 3hi1 s ILE 51 Ca 0.34 -0.05 -0.21 0.00 -1.41 0.00 0.00 60.65 59.32 3hi1 s ILE 51 Cb 0.04 -0.18 -0.10 0.00 0.13 0.00 0.00 42.46 42.35 3hi1 s ILE 51 CO 0.14 0.07 0.88 -0.47 -1.91 0.00 0.00 174.94 173.65 3hi1 s TYR 52 N 0.20 3.46 0.47 3.50 5.04 0.54 -1.69 117.35 128.87 3hi1 s TYR 52 Ca -0.02 1.55 0.21 0.00 -2.44 0.00 0.00 57.07 56.37 3hi1 s TYR 52 Cb -0.04 -2.78 1.20 0.00 0.35 0.00 0.00 41.96 40.69 3hi1 s TYR 52 CO -0.01 0.06 1.92 0.10 -1.34 0.00 0.00 175.55 176.29 3hi1 h TYR 53 N 2.48 0.31 -0.96 4.97 -0.00 -1.66 0.44 116.97 122.54 3hi1 h TYR 53 Ca -0.48 0.01 0.20 0.00 0.00 0.00 0.00 58.73 58.46 3hi1 h TYR 53 Cb 1.18 -0.10 -0.09 0.00 0.00 0.00 0.00 36.73 37.73 3hi1 h TYR 53 CO 0.62 0.11 0.61 1.03 -0.00 0.00 0.00 178.16 180.53 3hi1 h SER 54 N 0.25 0.61 0.00 0.10 0.87 -1.92 -3.46 113.55 110.00 3hi1 h SER 54 Ca 0.37 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 3hi1 h SER 54 Cb 1.07 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 3hi1 h SER 54 CO -0.09 0.23 0.00 0.61 -0.53 0.00 0.00 176.83 177.05 3hi1 n GLY 55 N -1.42 1.86 3.77 5.77 0.00 0.15 -5.11 105.19 110.21 3hi1 n GLY 55 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3hi1 n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hi1 s SER 56 N -1.44 6.61 0.42 1.61 1.04 -1.26 -4.74 113.70 115.95 3hi1 s SER 56 Ca 0.00 2.63 0.05 0.00 0.48 0.00 0.00 55.95 59.11 3hi1 s SER 56 Cb 0.00 -2.64 -0.06 0.00 0.10 0.00 0.00 66.02 63.42 3hi1 s SER 56 CO 0.00 -0.64 0.02 0.42 0.98 0.00 0.00 173.24 174.02 3hi1 s THR 57 N -1.21 1.54 -0.29 2.02 -4.23 -1.26 -0.34 115.64 111.87 3hi1 s THR 57 Ca 0.52 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 3hi1 s THR 57 Cb -0.38 -2.69 0.16 0.00 1.34 0.00 0.00 72.50 70.93 3hi1 s THR 57 CO 0.50 0.00 0.57 0.21 -0.54 0.00 0.00 174.62 175.36 3hi1 s ASN 58 N -3.71 -1.05 0.18 3.99 2.47 -0.57 -4.98 114.94 111.27 3hi1 s ASN 58 Ca 0.26 0.98 0.05 0.00 0.42 0.00 0.00 52.86 54.57 3hi1 s ASN 58 Cb 0.07 2.02 -0.04 0.00 -1.45 0.00 0.00 41.25 41.86 3hi1 s ASN 58 CO 0.13 -0.25 0.21 -0.31 -3.72 0.00 0.00 177.10 173.16 3hi1 s TYR 59 N 2.82 3.28 0.18 0.43 4.12 -1.26 -1.24 117.35 125.67 3hi1 s TYR 59 Ca 0.12 0.01 -0.31 0.00 0.02 0.00 0.00 57.07 56.91 3hi1 s TYR 59 Cb -0.14 -1.55 -0.09 0.00 -1.52 0.00 0.00 41.96 38.66 3hi1 s TYR 59 CO -0.19 0.51 1.41 0.45 0.02 0.00 0.00 175.55 177.75 3hi1 s SER 60 N -3.36 6.76 0.20 2.29 0.15 0.32 -4.85 113.70 115.21 3hi1 s SER 60 Ca 0.33 2.49 -0.11 0.00 0.70 0.00 0.00 55.95 59.35 3hi1 s SER 60 Cb -0.10 -2.60 0.24 0.00 -1.71 0.00 0.00 66.02 61.85 3hi1 s SER 60 CO 0.26 -0.66 1.73 1.55 1.20 0.00 0.00 173.24 177.32 3hi1 h PRO 61 N 5.95 0.32 0.00 5.44 0.13 -1.95 0.17 132.00 142.07 3hi1 h PRO 61 Ca -0.44 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hi1 h PRO 61 Cb 1.21 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3hi1 h PRO 61 CO 0.83 0.21 0.00 -1.13 -0.23 0.00 0.00 178.00 177.68 3hi1 n SER 62 N -5.05 0.00 0.00 1.44 3.41 -1.26 -2.58 113.62 109.58 3hi1 n SER 62 Ca 0.07 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3hi1 n SER 62 Cb 0.26 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 3hi1 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hi1 n LEU 63 N -1.15 0.00 -0.27 1.04 4.77 -0.34 -4.88 117.00 116.17 3hi1 n LEU 63 Ca 0.08 -0.09 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 3hi1 n LEU 63 Cb 0.08 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.30 3hi1 n LEU 63 CO 0.09 0.00 0.53 1.17 -1.33 0.00 0.00 177.39 177.85 3hi1 n LYS 64 N -0.99 -0.07 0.27 3.23 4.81 0.47 -0.22 118.16 125.66 3hi1 n LYS 64 Ca 0.00 1.17 0.18 0.00 -0.87 0.00 0.00 58.31 58.79 3hi1 n LYS 64 Cb 0.00 -1.78 0.94 0.00 0.02 0.00 0.00 35.03 34.21 3hi1 n LYS 64 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hi1 h SER 65 N 0.00 0.00 -0.00 3.14 4.64 -1.88 -2.98 113.55 116.47 3hi1 h SER 65 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3hi1 h SER 65 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3hi1 h SER 65 CO -0.77 0.00 -0.06 0.54 -0.87 0.00 0.00 176.83 175.68 3hi1 n ARG 66 N -3.52 1.32 -4.08 4.77 1.74 0.69 -5.01 116.66 112.57 3hi1 n ARG 66 Ca -0.01 -0.57 -0.36 0.00 -0.77 0.00 0.00 57.85 56.14 3hi1 n ARG 66 Cb 0.23 -0.98 -0.07 0.00 -1.02 0.00 0.00 32.46 30.61 3hi1 n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hi1 s VAL 67 N -0.68 5.03 -0.06 1.55 1.01 -1.13 -1.78 120.40 124.35 3hi1 s VAL 67 Ca 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.04 3hi1 s VAL 67 Cb 0.04 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.28 3hi1 s VAL 67 CO 0.09 0.61 0.02 -0.89 0.00 0.00 0.00 175.10 174.93 3hi1 s THR 68 N -0.97 0.22 -0.25 3.92 2.01 -0.42 -4.99 115.64 115.17 3hi1 s THR 68 Ca 0.14 0.20 -0.03 0.00 0.31 0.00 0.00 61.69 62.31 3hi1 s THR 68 Cb -0.12 -0.40 0.01 0.00 0.01 0.00 0.00 72.50 72.00 3hi1 s THR 68 CO 0.03 0.23 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.53 3hi1 s ILE 69 N 1.93 3.26 0.34 1.82 1.01 -1.26 -0.33 121.20 127.96 3hi1 s ILE 69 Ca 0.03 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 60.01 3hi1 s ILE 69 Cb -0.12 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.72 3hi1 s ILE 69 CO -0.04 0.27 0.22 -0.94 0.00 0.00 0.00 174.94 174.45 3hi1 s SER 70 N 1.42 5.01 0.02 3.58 1.04 -0.92 -4.95 113.70 118.90 3hi1 s SER 70 Ca 0.03 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 55.86 3hi1 s SER 70 Cb -0.16 -0.86 -0.01 0.00 0.10 0.00 0.00 66.02 65.08 3hi1 s SER 70 CO -0.03 -0.32 -0.08 0.54 0.98 0.00 0.00 173.24 174.33 3hi1 s VAL 71 N -2.36 0.63 -0.48 5.02 0.11 -1.26 -0.94 120.40 121.12 3hi1 s VAL 71 Ca 0.39 -0.68 0.04 0.00 -2.93 0.00 0.00 61.98 58.80 3hi1 s VAL 71 Cb -0.04 -0.59 0.16 0.00 -1.53 0.00 0.00 36.38 34.38 3hi1 s VAL 71 CO 0.25 -0.07 0.35 -0.70 -3.33 0.00 0.00 175.10 171.61 3hi1 s GLU 72 N -0.83 1.29 0.40 1.54 2.56 0.13 -4.98 118.70 118.81 3hi1 s GLU 72 Ca -0.02 -2.33 0.07 0.00 0.00 0.00 0.00 54.97 52.69 3hi1 s GLU 72 Cb -0.06 -1.99 0.85 0.00 2.00 0.00 0.00 34.13 34.93 3hi1 s GLU 72 CO 0.00 -1.32 2.05 1.79 -0.56 0.00 0.00 175.26 177.22 3hi1 h THR 73 N 4.68 1.09 -0.83 -1.70 1.35 -1.93 -0.75 112.91 114.82 3hi1 h THR 73 Ca 0.19 -0.20 0.17 0.00 -0.55 0.00 0.00 66.41 66.02 3hi1 h THR 73 Cb 0.88 0.46 -0.10 0.00 -1.73 0.00 0.00 68.15 67.65 3hi1 h THR 73 CO 0.46 0.11 0.38 0.00 -0.25 0.00 0.00 175.52 176.21 3hi1 h ALA 74 N 1.72 1.25 -0.17 6.62 0.00 -1.93 -0.55 119.26 126.20 3hi1 h ALA 74 Ca 0.17 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3hi1 h ALA 74 Cb -0.01 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hi1 h ALA 74 CO -0.04 -0.21 0.00 1.63 0.00 0.00 0.00 179.25 180.63 3hi1 n LYS 75 N -4.97 2.24 -3.13 0.00 5.02 -0.83 -5.00 118.16 111.49 3hi1 n LYS 75 Ca 0.18 -2.00 -0.13 0.00 -2.02 0.00 0.00 58.31 54.34 3hi1 n LYS 75 Cb 0.50 -1.45 0.07 0.00 -0.02 0.00 0.00 35.03 34.13 3hi1 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hi1 n ASN 76 N 1.31 -2.11 -3.72 4.39 5.15 -0.22 -4.92 115.26 115.16 3hi1 n ASN 76 Ca 0.15 -0.49 -0.11 0.00 -0.60 0.00 0.00 54.58 53.53 3hi1 n ASN 76 Cb 0.57 -4.16 -0.06 0.00 -0.53 0.00 0.00 39.78 35.59 3hi1 n ASN 76 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hi1 s GLN 77 N -5.05 0.94 0.26 1.20 -2.07 -1.02 -2.39 119.66 111.52 3hi1 s GLN 77 Ca 0.01 -0.68 0.04 0.00 -1.82 0.00 0.00 55.36 52.91 3hi1 s GLN 77 Cb -0.00 0.41 -0.06 0.00 -1.09 0.00 0.00 33.01 32.27 3hi1 s GLN 77 CO 0.58 -0.33 0.00 -0.59 -1.32 0.00 0.00 175.29 173.62 3hi1 s PHE 78 N -3.37 1.72 0.05 9.60 -0.12 -0.87 -0.70 117.98 124.29 3hi1 s PHE 78 Ca 0.01 -0.89 -0.02 0.00 -0.05 0.00 0.00 56.93 55.98 3hi1 s PHE 78 Cb 0.02 -1.02 -0.03 0.00 -0.63 0.00 0.00 43.02 41.35 3hi1 s PHE 78 CO -0.09 0.03 -0.01 -1.12 -0.05 0.00 0.00 175.22 173.98 3hi1 s SER 79 N -3.37 0.41 0.15 1.98 0.01 -0.12 -0.35 113.70 112.42 3hi1 s SER 79 Ca 0.30 -0.88 0.09 0.00 1.31 0.00 0.00 55.95 56.78 3hi1 s SER 79 Cb 0.06 0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.44 3hi1 s SER 79 CO 0.11 -0.56 -0.16 -0.22 0.41 0.00 0.00 173.24 172.82 3hi1 s LEU 80 N -2.65 2.76 -0.12 2.44 2.96 -0.27 -2.15 118.68 121.65 3hi1 s LEU 80 Ca 0.03 -0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 53.29 3hi1 s LEU 80 Cb 0.05 -1.53 0.05 0.00 0.50 0.00 0.00 46.19 45.26 3hi1 s LEU 80 CO -0.08 0.14 0.13 -0.75 -1.32 0.00 0.00 176.35 174.47 3hi1 s LYS 81 N -2.46 0.04 -0.15 1.98 2.47 0.55 -2.16 119.74 120.02 3hi1 s LYS 81 Ca 0.21 0.30 0.02 0.00 -1.56 0.00 0.00 55.97 54.93 3hi1 s LYS 81 Cb -0.10 -0.89 0.01 0.00 -1.46 0.00 0.00 37.83 35.40 3hi1 s LYS 81 CO 0.12 -0.47 -0.21 -1.17 0.16 0.00 0.00 175.35 173.78 3hi1 s LEU 82 N 2.23 2.08 0.11 5.43 2.96 -0.05 -1.30 118.68 130.14 3hi1 s LEU 82 Ca 0.04 -0.60 -0.15 0.00 -0.22 0.00 0.00 54.13 53.20 3hi1 s LEU 82 Cb -0.14 -1.42 -0.07 0.00 0.50 0.00 0.00 46.19 45.07 3hi1 s LEU 82 CO -0.07 0.06 0.53 -0.89 -1.32 0.00 0.00 176.35 174.66 3hi1 s THR 82 N 0.93 4.86 -1.17 3.68 2.01 -0.73 0.44 115.64 125.66 3hi1 s THR 82 Ca -0.04 0.91 -0.02 0.00 0.31 0.00 0.00 61.69 62.85 3hi1 s THR 82 Cb -0.15 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 3hi1 s THR 82 CO -0.04 0.36 0.97 -1.20 -0.69 0.00 0.00 174.62 174.01 3hi1 n SER 82 N 1.14 -3.13 -4.70 3.53 7.64 -1.19 -4.89 113.62 112.02 3hi1 n SER 82 Ca -0.08 -0.65 -0.43 0.00 1.01 0.00 0.00 58.87 58.72 3hi1 n SER 82 Cb 0.52 -5.09 -0.02 0.00 -1.01 0.00 0.00 64.21 58.61 3hi1 n SER 82 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3hi1 n MET 82 N -3.92 2.28 -4.30 1.43 0.00 0.29 -4.54 117.12 108.35 3hi1 n MET 82 Ca -0.24 0.81 -0.16 0.00 0.00 0.00 0.00 57.70 58.11 3hi1 n MET 82 Cb 0.66 -2.50 -0.10 0.00 0.00 0.00 0.00 33.22 31.28 3hi1 n MET 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3hi1 s THR 83 N -0.21 0.62 0.36 2.03 -4.23 -1.26 0.27 115.64 113.21 3hi1 s THR 83 Ca 0.65 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.31 3hi1 s THR 83 Cb -0.58 -2.52 0.35 0.00 1.34 0.00 0.00 72.50 71.09 3hi1 s THR 83 CO 0.51 -0.11 1.69 0.00 -0.54 0.00 0.00 174.62 176.17 3hi1 h ALA 84 N 2.45 2.04 0.00 3.99 0.00 -1.95 0.98 119.26 126.76 3hi1 h ALA 84 Ca -0.38 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hi1 h ALA 84 Cb 1.24 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3hi1 h ALA 84 CO 0.62 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.28 3hi1 n ALA 85 N -2.35 1.08 1.15 0.00 0.00 -1.26 -1.08 120.51 118.06 3hi1 n ALA 85 Ca 0.30 0.19 0.12 0.00 0.00 0.00 0.00 53.44 54.05 3hi1 n ALA 85 Cb 0.96 -1.31 0.21 0.00 0.00 0.00 0.00 19.45 19.31 3hi1 n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hi1 n ASP 86 N -2.23 2.14 -4.65 0.00 8.00 0.34 -4.90 116.55 115.25 3hi1 n ASP 86 Ca -0.01 -1.61 -0.42 0.00 0.71 0.00 0.00 54.79 53.45 3hi1 n ASP 86 Cb 0.05 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 3hi1 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hi1 s THR 87 N -2.18 3.51 0.13 -3.53 2.01 -0.24 -4.92 115.64 110.41 3hi1 s THR 87 Ca 0.28 0.61 -0.26 0.00 0.31 0.00 0.00 61.69 62.63 3hi1 s THR 87 Cb 0.20 -3.42 0.07 0.00 0.01 0.00 0.00 72.50 69.36 3hi1 s THR 87 CO 0.40 -0.08 1.02 0.00 -0.69 0.00 0.00 174.62 175.27 3hi1 s ALA 88 N 4.34 -1.75 -0.11 7.40 0.00 -0.96 -4.51 121.76 126.17 3hi1 s ALA 88 Ca 0.76 0.22 -0.23 0.00 0.00 0.00 0.00 51.96 52.71 3hi1 s ALA 88 Cb -0.33 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 3hi1 s ALA 88 CO 0.31 -1.05 0.69 0.08 0.00 0.00 0.00 175.76 175.79 3hi1 s VAL 89 N -3.14 5.03 -0.19 0.00 1.01 -0.07 -1.02 120.40 122.02 3hi1 s VAL 89 Ca 0.13 1.38 -0.06 0.00 0.00 0.00 0.00 61.98 63.43 3hi1 s VAL 89 Cb -0.00 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 3hi1 s VAL 89 CO 0.01 0.19 0.01 -0.31 0.00 0.00 0.00 175.10 175.01 3hi1 s TYR 90 N 1.24 3.09 -0.02 5.22 1.51 0.79 -0.75 117.35 128.44 3hi1 s TYR 90 Ca 0.35 -0.27 0.04 0.00 -1.01 0.00 0.00 57.07 56.18 3hi1 s TYR 90 Cb -0.17 -2.06 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 3hi1 s TYR 90 CO 0.15 -0.09 -0.12 0.71 -1.11 0.00 0.00 175.55 175.09 3hi1 s TYR 91 N 0.72 2.75 0.05 2.71 1.51 0.46 -1.20 117.35 124.35 3hi1 s TYR 91 Ca 0.01 -0.12 -0.00 0.00 -1.01 0.00 0.00 57.07 55.94 3hi1 s TYR 91 Cb -0.14 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 3hi1 s TYR 91 CO 0.02 0.27 0.20 0.00 -1.11 0.00 0.00 175.55 174.93 3hi1 s ALA 93 N -1.47 -1.45 0.34 0.00 0.00 0.11 -0.58 121.76 118.72 3hi1 s ALA 93 Ca 0.33 0.93 -0.22 0.00 0.00 0.00 0.00 51.96 53.00 3hi1 s ALA 93 Cb -0.13 0.11 -0.10 0.00 0.00 0.00 0.00 23.12 23.00 3hi1 s ALA 93 CO 0.26 -0.38 0.89 0.50 0.00 0.00 0.00 175.76 177.03 3hi1 s ARG 94 N -1.51 4.34 0.00 0.00 3.52 0.45 0.33 118.95 126.08 3hi1 s ARG 94 Ca -0.10 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.60 3hi1 s ARG 94 Cb -0.01 -2.56 0.00 0.00 -1.56 0.00 0.00 34.95 30.82 3hi1 s ARG 94 CO 0.06 0.18 0.00 0.41 -0.81 0.00 0.00 175.30 175.14 3hi1 n GLY 95 N 0.07 -1.63 0.09 8.12 0.00 -0.06 -1.36 105.19 110.42 3hi1 n GLY 95 Ca 0.03 -2.05 0.13 0.00 0.00 0.00 0.00 46.02 44.13 3hi1 n GLY 95 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hi1 n PRO 96 N 0.00 0.27 -2.62 1.61 -0.04 -1.26 -3.22 135.00 129.74 3hi1 n PRO 96 Ca 0.00 0.17 -0.41 0.00 -0.04 0.00 0.00 63.50 63.22 3hi1 n PRO 96 Cb 0.00 -1.76 -0.04 0.00 -0.04 0.00 0.00 33.50 31.66 3hi1 n PRO 96 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hi1 s VAL 97 N -3.13 4.18 0.72 0.52 1.01 -1.26 -1.26 120.40 121.19 3hi1 s VAL 97 Ca 0.09 1.85 -0.12 0.00 0.00 0.00 0.00 61.98 63.79 3hi1 s VAL 97 Cb 0.13 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.36 3hi1 s VAL 97 CO 0.65 0.30 1.09 -2.16 0.00 0.00 0.00 175.10 174.98 3hi1 s PRO 98 N -0.18 2.54 0.16 2.72 0.04 -1.25 -4.36 135.00 134.67 3hi1 s PRO 98 Ca 0.48 1.22 -0.16 0.00 0.04 0.00 0.00 61.00 62.59 3hi1 s PRO 98 Cb -0.26 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.41 3hi1 s PRO 98 CO 0.32 -1.43 1.76 0.00 0.04 0.00 0.00 177.00 177.69 3hi1 h ALA 99 N -0.64 0.43 -2.31 8.56 0.00 -1.90 -3.43 119.26 119.97 3hi1 h ALA 99 Ca -0.45 0.04 -0.55 0.00 0.00 0.00 0.00 54.91 53.95 3hi1 h ALA 99 Cb 1.23 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 3hi1 h ALA 99 CO 0.53 -0.25 -0.62 0.14 0.00 0.00 0.00 179.25 179.05 3hi1 s VAL 100 N -6.16 3.70 0.53 0.00 -7.23 -1.26 -4.96 120.40 105.02 3hi1 s VAL 100 Ca -0.13 -1.73 0.18 0.00 -1.81 0.00 0.00 61.98 58.49 3hi1 s VAL 100 Cb 0.12 -2.97 0.28 0.00 0.56 0.00 0.00 36.38 34.37 3hi1 s VAL 100 CO 0.71 -0.33 2.16 2.19 -0.31 0.00 0.00 175.10 179.53 3hi1 h PHE 100 N 1.93 0.00 -0.56 2.82 -5.15 -2.02 -0.98 116.94 112.98 3hi1 h PHE 100 Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 3hi1 h PHE 100 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.41 3hi1 h PHE 100 CO 0.65 0.00 0.00 2.48 -2.00 0.00 0.00 178.31 179.44 3hi1 n TYR 100 N -4.44 0.98 -0.78 6.09 0.18 -1.26 -4.92 117.16 113.02 3hi1 n TYR 100 Ca -0.03 -0.43 0.00 0.00 1.88 0.00 0.00 57.90 59.32 3hi1 n TYR 100 Cb 0.09 -0.10 0.00 0.00 -0.38 0.00 0.00 39.34 38.95 3hi1 n TYR 100 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3hi1 n GLY 100 N 1.22 -1.45 3.69 -7.48 0.00 -0.37 -5.07 105.19 95.73 3hi1 n GLY 100 Ca 0.20 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 44.29 3hi1 n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hi1 s ASP 100 N -1.14 5.20 -0.39 1.61 1.01 -1.26 -4.89 116.67 116.81 3hi1 s ASP 100 Ca 0.00 0.03 -0.19 0.00 0.71 0.00 0.00 52.55 53.10 3hi1 s ASP 100 Cb 0.00 -1.39 0.01 0.00 1.01 0.00 0.00 42.92 42.55 3hi1 s ASP 100 CO 0.00 0.29 0.53 -0.31 0.21 0.00 0.00 175.17 175.89 3hi1 s TYR 100 N -1.08 3.14 -0.19 4.23 1.51 -1.26 -3.75 117.35 119.95 3hi1 s TYR 100 Ca 0.19 -0.02 -0.33 0.00 -1.01 0.00 0.00 57.07 55.91 3hi1 s TYR 100 Cb -0.12 -3.04 0.14 0.00 -0.11 0.00 0.00 41.96 38.84 3hi1 s TYR 100 CO 0.10 -0.67 1.18 -0.98 -1.11 0.00 0.00 175.55 174.06 3hi1 s ARG 100 N 2.46 0.34 -0.57 -0.62 3.03 -0.39 -5.02 118.95 118.18 3hi1 s ARG 100 Ca 0.18 -0.06 -0.20 0.00 2.03 0.00 0.00 55.73 57.68 3hi1 s ARG 100 Cb -0.15 0.16 0.07 0.00 -1.03 0.00 0.00 34.95 34.00 3hi1 s ARG 100 CO 0.15 -0.14 0.76 -0.51 -1.13 0.00 0.00 175.30 174.43 3hi1 s LEU 100 N -1.80 4.90 0.41 -1.89 1.43 -1.26 -4.28 118.68 116.18 3hi1 s LEU 100 Ca 0.07 -1.05 0.05 0.00 -1.03 0.00 0.00 54.13 52.16 3hi1 s LEU 100 Cb -0.01 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.76 3hi1 s LEU 100 CO -0.05 -1.12 0.17 -0.62 0.23 0.00 0.00 176.35 174.96 3hi1 s ASP 101 N 3.24 2.67 0.00 2.29 2.15 -0.46 -4.79 116.67 121.76 3hi1 s ASP 101 Ca 0.17 -1.74 0.00 0.00 0.43 0.00 0.00 52.55 51.41 3hi1 s ASP 101 Cb -0.20 0.59 0.00 0.00 -0.30 0.00 0.00 42.92 43.01 3hi1 s ASP 101 CO 0.10 -1.00 0.00 -2.65 -0.17 0.00 0.00 175.17 171.45 3hi1 n PRO 102 N -0.89 0.00 -3.54 4.34 -0.02 -1.26 -0.41 135.00 133.21 3hi1 n PRO 102 Ca -0.04 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.22 3hi1 n PRO 102 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.12 3hi1 n PRO 102 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hi1 s TRP 103 N 0.00 2.00 0.00 6.00 0.52 -1.26 -2.07 118.94 124.12 3hi1 s TRP 103 Ca 0.00 -0.68 0.00 0.00 0.02 0.00 0.00 56.10 55.44 3hi1 s TRP 103 Cb 0.00 -2.09 0.00 0.00 -1.15 0.00 0.00 33.47 30.23 3hi1 s TRP 103 CO 0.00 -0.51 0.00 0.41 0.02 0.00 0.00 176.95 176.87 3hi1 n GLY 104 N -1.80 0.59 0.09 0.98 0.00 0.26 -4.13 105.19 101.16 3hi1 n GLY 104 Ca 0.05 -1.88 -0.05 0.00 0.00 0.00 0.00 46.02 44.14 3hi1 n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hi1 n GLN 105 N -0.45 0.64 0.00 1.61 1.13 -1.26 -4.94 117.38 114.11 3hi1 n GLN 105 Ca 0.00 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 3hi1 n GLN 105 Cb 0.00 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 28.62 3hi1 n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hi1 n GLY 106 N 1.52 0.61 3.24 1.08 0.00 -1.26 -5.01 105.19 105.37 3hi1 n GLY 106 Ca -0.17 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 3hi1 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hi1 s THR 107 N -2.23 1.96 -0.34 2.61 2.01 -0.34 -4.89 115.64 114.42 3hi1 s THR 107 Ca 0.00 -1.01 -0.26 0.00 0.31 0.00 0.00 61.69 60.73 3hi1 s THR 107 Cb 0.00 -1.67 0.01 0.00 0.01 0.00 0.00 72.50 70.86 3hi1 s THR 107 CO 0.00 0.54 0.93 -0.22 -0.69 0.00 0.00 174.62 175.19 3hi1 s LEU 108 N -0.06 4.00 -0.16 4.42 2.96 -1.26 -0.15 118.68 128.43 3hi1 s LEU 108 Ca -0.06 0.72 -0.05 0.00 -0.22 0.00 0.00 54.13 54.52 3hi1 s LEU 108 Cb -0.14 -3.29 -0.03 0.00 0.50 0.00 0.00 46.19 43.22 3hi1 s LEU 108 CO 0.04 -0.81 0.02 -0.69 -1.32 0.00 0.00 176.35 173.59 3hi1 s VAL 109 N 3.40 4.41 -0.12 1.68 1.01 -0.19 -4.56 120.40 126.03 3hi1 s VAL 109 Ca 0.39 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.20 3hi1 s VAL 109 Cb -0.12 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3hi1 s VAL 109 CO 0.16 0.49 -0.15 -0.89 0.00 0.00 0.00 175.10 174.72 3hi1 s THR 110 N 0.21 2.89 -0.39 3.92 2.01 0.16 -2.26 115.64 122.18 3hi1 s THR 110 Ca 0.01 -0.72 -0.18 0.00 0.31 0.00 0.00 61.69 61.11 3hi1 s THR 110 Cb -0.13 -2.20 0.01 0.00 0.01 0.00 0.00 72.50 70.19 3hi1 s THR 110 CO 0.01 0.53 0.52 -0.69 -0.69 0.00 0.00 174.62 174.30 3hi1 s VAL 111 N 0.34 4.99 -0.14 3.82 1.01 -1.26 -0.25 120.40 128.91 3hi1 s VAL 111 Ca -0.12 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 3hi1 s VAL 111 Cb -0.16 -4.04 0.09 0.00 0.00 0.00 0.00 36.38 32.28 3hi1 s VAL 111 CO 0.06 -0.36 0.83 -0.55 0.00 0.00 0.00 175.10 175.08 3hi1 s SER 112 N 1.83 -0.55 0.27 3.32 0.15 0.20 -4.67 113.70 114.25 3hi1 s SER 112 Ca 0.18 0.73 0.23 0.00 0.70 0.00 0.00 55.95 57.79 3hi1 s SER 112 Cb -0.16 0.62 0.29 0.00 -1.71 0.00 0.00 66.02 65.07 3hi1 s SER 112 CO 0.15 -0.42 1.39 0.77 1.20 0.00 0.00 173.24 176.33 3hi1 h SER 113 N 3.26 0.00 -4.05 5.45 4.64 -1.94 -3.31 113.55 117.59 3hi1 h SER 113 Ca -0.25 -0.04 -0.54 0.00 -0.47 0.00 0.00 61.79 60.49 3hi1 h SER 113 Cb 1.15 0.00 0.18 0.00 -0.31 0.00 0.00 62.40 63.43 3hi1 h SER 113 CO 0.29 0.02 0.26 0.00 -0.87 0.00 0.00 176.83 176.52 3hi1 n ALA 114 N -2.03 -0.08 -2.07 5.18 0.00 -1.26 -4.99 120.51 115.26 3hi1 n ALA 114 Ca 0.03 -0.28 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 3hi1 n ALA 114 Cb 0.51 -2.21 -0.00 0.00 0.00 0.00 0.00 19.45 17.75 3hi1 n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hi1 s SER 115 N -1.93 6.29 0.34 0.00 0.01 -1.26 -5.03 113.70 112.12 3hi1 s SER 115 Ca 0.74 1.19 -0.27 0.00 1.31 0.00 0.00 55.95 58.92 3hi1 s SER 115 Cb -0.31 -2.36 -0.09 0.00 0.21 0.00 0.00 66.02 63.46 3hi1 s SER 115 CO 0.50 -0.69 1.15 -0.89 0.41 0.00 0.00 173.24 173.73 3hi1 s THR 116 N -2.89 3.27 -0.04 1.44 2.01 -1.26 -4.67 115.64 113.50 3hi1 s THR 116 Ca 0.52 1.17 -0.01 0.00 0.31 0.00 0.00 61.69 63.67 3hi1 s THR 116 Cb -0.11 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.74 3hi1 s THR 116 CO 0.47 0.20 0.08 -0.75 -0.69 0.00 0.00 174.62 173.92 3hi1 s LYS 117 N -1.90 0.01 0.55 4.92 2.20 0.21 -4.95 119.74 120.78 3hi1 s LYS 117 Ca 0.51 0.27 -0.18 0.00 -0.36 0.00 0.00 55.97 56.20 3hi1 s LYS 117 Cb -0.32 -0.23 -0.06 0.00 -1.51 0.00 0.00 37.83 35.71 3hi1 s LYS 117 CO 0.41 -0.18 1.07 0.20 -0.36 0.00 0.00 175.35 176.49 3hi1 s GLY 118 N 1.17 2.39 0.65 5.54 0.00 -1.26 -1.29 107.32 114.52 3hi1 s GLY 118 Ca -0.08 0.58 -0.11 0.00 0.00 0.00 0.00 44.72 45.11 3hi1 s GLY 118 CO -0.04 0.91 1.04 2.56 0.00 0.00 0.00 173.10 177.58 3hi1 s PRO 119 N -3.58 3.27 -0.13 2.90 0.04 -1.26 -4.52 135.00 131.72 3hi1 s PRO 119 Ca 0.67 0.87 -0.00 0.00 0.04 0.00 0.00 61.00 62.58 3hi1 s PRO 119 Cb -0.18 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 3hi1 s PRO 119 CO 0.29 -0.83 -0.12 -1.12 0.04 0.00 0.00 177.00 175.25 3hi1 s SER 120 N -3.93 4.08 -0.14 6.66 0.01 0.26 -4.93 113.70 115.71 3hi1 s SER 120 Ca 0.57 -0.31 -0.04 0.00 1.31 0.00 0.00 55.95 57.48 3hi1 s SER 120 Cb -0.13 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.47 3hi1 s SER 120 CO 0.54 0.17 -0.00 -0.69 0.41 0.00 0.00 173.24 173.66 3hi1 s VAL 121 N 0.31 4.22 0.04 3.43 1.01 -1.26 -0.42 120.40 127.73 3hi1 s VAL 121 Ca -0.10 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.68 3hi1 s VAL 121 Cb -0.16 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 3hi1 s VAL 121 CO 0.05 0.52 -0.14 -0.36 0.00 0.00 0.00 175.10 175.17 3hi1 s PHE 122 N -0.02 1.23 0.40 5.22 0.40 -0.01 -4.96 117.98 120.24 3hi1 s PHE 122 Ca 0.03 -0.35 -0.24 0.00 -0.60 0.00 0.00 56.93 55.77 3hi1 s PHE 122 Cb -0.13 -0.73 -0.09 0.00 0.51 0.00 0.00 43.02 42.57 3hi1 s PHE 122 CO 0.02 0.03 1.01 -1.25 0.70 0.00 0.00 175.22 175.73 3hi1 s PRO 123 N -1.13 4.23 -0.85 0.24 0.04 -1.26 0.95 135.00 137.22 3hi1 s PRO 123 Ca 0.02 1.39 -0.08 0.00 0.04 0.00 0.00 61.00 62.36 3hi1 s PRO 123 Cb -0.08 -2.49 0.22 0.00 0.04 0.00 0.00 34.50 32.19 3hi1 s PRO 123 CO 0.01 -0.06 0.76 -0.51 0.04 0.00 0.00 177.00 177.25 3hi1 s LEU 124 N -2.68 6.11 0.28 -3.56 1.43 0.16 -4.75 118.68 115.67 3hi1 s LEU 124 Ca 0.58 -3.10 -0.30 0.00 -1.03 0.00 0.00 54.13 50.27 3hi1 s LEU 124 Cb -0.18 -2.07 -0.12 0.00 0.03 0.00 0.00 46.19 43.85 3hi1 s LEU 124 CO 0.23 -0.40 1.63 0.00 0.23 0.00 0.00 176.35 178.05 3hi1 s ALA 125 N -0.46 3.79 0.35 4.21 0.00 -1.26 -2.18 121.76 126.21 3hi1 s ALA 125 Ca 0.22 1.60 -0.27 0.00 0.00 0.00 0.00 51.96 53.51 3hi1 s ALA 125 Cb -0.12 -3.66 -0.09 0.00 0.00 0.00 0.00 23.12 19.24 3hi1 s ALA 125 CO -0.08 -1.00 1.19 -2.14 0.00 0.00 0.00 175.76 173.73 3hi1 s PRO 126 N -0.28 4.27 0.14 0.00 0.02 -1.26 -4.92 135.00 132.97 3hi1 s PRO 126 Ca 0.65 1.93 -0.29 0.00 0.02 0.00 0.00 61.00 63.31 3hi1 s PRO 126 Cb -0.49 -2.90 -0.07 0.00 0.02 0.00 0.00 34.50 31.07 3hi1 s PRO 126 CO 0.46 -0.16 0.92 -1.12 -0.33 0.00 0.00 177.00 176.78 3hi1 s SER 127 N -0.90 7.49 0.21 2.53 0.01 -1.26 -4.62 113.70 117.16 3hi1 s SER 127 Ca 0.52 1.78 0.25 0.00 1.31 0.00 0.00 55.95 59.81 3hi1 s SER 127 Cb -0.33 -2.57 0.89 0.00 0.21 0.00 0.00 66.02 64.22 3hi1 s SER 127 CO 0.43 0.01 1.75 -1.54 0.41 0.00 0.00 173.24 174.30 3hi1 n SER 128 N 2.42 0.69 -0.08 2.44 3.41 -1.26 -3.61 113.62 117.64 3hi1 n SER 128 Ca 0.00 0.60 -0.14 0.00 -0.26 0.00 0.00 58.87 59.07 3hi1 n SER 128 Cb 0.49 -0.77 -0.09 0.00 -0.26 0.00 0.00 64.21 63.57 3hi1 n SER 128 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3hi1 h LYS 129 N 0.00 0.00 -0.01 4.33 3.64 -2.01 -3.39 116.57 119.13 3hi1 h LYS 129 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hi1 h LYS 129 Cb 0.57 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3hi1 h LYS 129 CO 0.00 0.76 -0.01 -1.13 -2.27 0.00 0.00 179.45 176.81 3hi1 n SER 130 N -4.56 -0.01 -3.10 4.20 3.41 -1.24 -3.21 113.62 109.11 3hi1 n SER 130 Ca -0.18 0.96 -0.17 0.00 -0.26 0.00 0.00 58.87 59.22 3hi1 n SER 130 Cb 0.48 -0.47 -0.01 0.00 -0.26 0.00 0.00 64.21 63.94 3hi1 n SER 130 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hi1 n THR 131 N -2.97 -0.22 1.07 6.66 -1.04 -1.26 -4.96 114.28 111.55 3hi1 n THR 131 Ca 0.00 -3.90 0.02 0.00 -2.04 0.00 0.00 64.05 58.13 3hi1 n THR 131 Cb 0.00 -0.20 0.12 0.00 -1.82 0.00 0.00 70.33 68.44 3hi1 n THR 131 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hi1 n SER 132 N 0.53 0.00 -3.99 8.00 3.41 -1.20 -3.48 113.62 116.89 3hi1 n SER 132 Ca 0.21 -0.94 -0.32 0.00 -0.26 0.00 0.00 58.87 57.56 3hi1 n SER 132 Cb 0.64 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.47 3hi1 n SER 132 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hi1 s GLY 133 N -1.60 2.57 0.00 5.00 0.00 -1.26 -4.88 107.32 107.15 3hi1 s GLY 133 Ca 0.06 -3.38 0.00 0.00 0.00 0.00 0.00 44.72 41.40 3hi1 s GLY 133 CO 0.05 1.05 0.00 0.61 0.00 0.00 0.00 173.10 174.81 3hi1 n GLY 134 N 3.02 0.84 3.22 0.20 0.00 -1.23 -5.07 105.19 106.16 3hi1 n GLY 134 Ca 0.09 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 3hi1 n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hi1 s THR 135 N 0.00 1.41 0.44 2.61 -4.23 -1.23 -1.27 115.64 113.37 3hi1 s THR 135 Ca 0.00 -1.28 0.05 0.00 -1.18 0.00 0.00 61.69 59.29 3hi1 s THR 135 Cb 0.00 -1.28 -0.06 0.00 1.34 0.00 0.00 72.50 72.50 3hi1 s THR 135 CO 0.00 -0.03 0.01 0.00 -0.54 0.00 0.00 174.62 174.06 3hi1 s ALA 136 N -1.03 3.45 0.03 3.99 0.00 0.88 -4.47 121.76 124.61 3hi1 s ALA 136 Ca 0.03 -1.74 0.05 0.00 0.00 0.00 0.00 51.96 50.30 3hi1 s ALA 136 Cb -0.09 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 3hi1 s ALA 136 CO 0.02 -0.09 -0.16 0.00 0.00 0.00 0.00 175.76 175.54 3hi1 s ALA 137 N -2.76 1.31 0.30 0.00 0.00 -1.26 -0.57 121.76 118.78 3hi1 s ALA 137 Ca 0.27 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.34 3hi1 s ALA 137 Cb 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 3hi1 s ALA 137 CO 0.14 0.28 0.45 -0.48 0.00 0.00 0.00 175.76 176.15 3hi1 s LEU 138 N -0.94 0.76 0.00 0.00 2.34 -0.84 -4.28 118.68 115.72 3hi1 s LEU 138 Ca 0.04 -1.28 0.00 0.00 0.06 0.00 0.00 54.13 52.95 3hi1 s LEU 138 Cb -0.07 1.51 0.00 0.00 -0.56 0.00 0.00 46.19 47.06 3hi1 s LEU 138 CO 0.01 -1.21 0.00 0.61 -1.06 0.00 0.00 176.35 174.69 3hi1 n GLY 139 N -0.47 0.74 3.17 -3.48 0.00 -0.93 -1.37 105.19 102.86 3hi1 n GLY 139 Ca -0.00 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 3hi1 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hi1 s LEU 141 N 0.01 5.09 -0.40 0.00 2.96 0.27 -1.49 118.68 125.12 3hi1 s LEU 141 Ca -0.05 -0.89 -0.18 0.00 -0.22 0.00 0.00 54.13 52.79 3hi1 s LEU 141 Cb -0.13 -2.17 0.01 0.00 0.50 0.00 0.00 46.19 44.41 3hi1 s LEU 141 CO 0.03 -0.45 0.51 -0.69 -1.32 0.00 0.00 176.35 174.43 3hi1 s VAL 142 N 1.69 5.00 0.05 1.68 1.01 0.30 -0.83 120.40 129.30 3hi1 s VAL 142 Ca 0.05 -0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.10 3hi1 s VAL 142 Cb -0.19 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3hi1 s VAL 142 CO 0.10 -0.40 -0.23 -0.75 0.00 0.00 0.00 175.10 173.82 3hi1 s LYS 143 N 2.38 1.57 -0.86 2.72 2.20 0.44 -0.99 119.74 127.20 3hi1 s LYS 143 Ca 0.17 -1.03 -0.02 0.00 -0.36 0.00 0.00 55.97 54.73 3hi1 s LYS 143 Cb -0.16 -1.72 -0.03 0.00 -1.51 0.00 0.00 37.83 34.42 3hi1 s LYS 143 CO 0.15 0.44 0.78 -0.25 -0.36 0.00 0.00 175.35 176.11 3hi1 n ASP 144 N 1.79 -7.37 -4.20 1.43 8.00 -0.41 -0.58 116.55 115.21 3hi1 n ASP 144 Ca -0.17 -0.31 -0.12 0.00 0.71 0.00 0.00 54.79 54.90 3hi1 n ASP 144 Cb 0.53 -5.28 -0.10 0.00 -0.02 0.00 0.00 41.12 36.25 3hi1 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hi1 s TYR 145 N -3.15 1.03 -0.28 1.24 1.13 -0.85 -4.30 117.35 112.17 3hi1 s TYR 145 Ca 0.17 -0.86 -0.25 0.00 -1.41 0.00 0.00 57.07 54.72 3hi1 s TYR 145 Cb -0.02 -0.56 0.10 0.00 -1.10 0.00 0.00 41.96 40.37 3hi1 s TYR 145 CO 0.75 -0.07 0.87 0.12 -2.51 0.00 0.00 175.55 174.70 3hi1 s PHE 146 N -3.52 -0.64 0.00 -3.49 5.36 -0.41 -0.15 117.98 115.12 3hi1 s PHE 146 Ca 0.14 1.57 0.00 0.00 -0.96 0.00 0.00 56.93 57.67 3hi1 s PHE 146 Cb 0.04 0.32 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 3hi1 s PHE 146 CO -0.03 -0.31 0.00 -0.35 -1.46 0.00 0.00 175.22 173.07 3hi1 n PRO 147 N 2.50 1.68 -1.97 10.12 -0.04 -1.26 0.66 135.00 146.68 3hi1 n PRO 147 Ca -0.13 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.03 3hi1 n PRO 147 Cb 0.55 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.05 3hi1 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hi1 s GLU 148 N 0.57 3.00 0.57 0.54 2.02 -1.26 -4.79 118.70 119.36 3hi1 s GLU 148 Ca 0.00 0.43 0.07 0.00 0.02 0.00 0.00 54.97 55.49 3hi1 s GLU 148 Cb 0.00 -2.08 0.06 0.00 0.10 0.00 0.00 34.13 32.22 3hi1 s GLU 148 CO 0.00 -0.89 0.54 -1.25 0.02 0.00 0.00 175.26 173.68 3hi1 s PRO 149 N -5.26 2.23 0.33 0.39 0.04 -1.26 -4.90 135.00 126.57 3hi1 s PRO 149 Ca 0.57 -1.96 0.09 0.00 0.04 0.00 0.00 61.00 59.74 3hi1 s PRO 149 Cb -0.11 -2.25 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 3hi1 s PRO 149 CO 0.51 -0.76 -0.09 0.14 0.04 0.00 0.00 177.00 176.83 3hi1 s VAL 150 N -2.78 2.17 -0.05 -0.36 -7.23 -1.26 -4.48 120.40 106.40 3hi1 s VAL 150 Ca 0.42 -2.20 -0.02 0.00 -1.81 0.00 0.00 61.98 58.36 3hi1 s VAL 150 Cb -0.03 -2.61 0.04 0.00 0.56 0.00 0.00 36.38 34.33 3hi1 s VAL 150 CO 0.26 -0.22 0.10 0.42 -0.31 0.00 0.00 175.10 175.35 3hi1 s THR 151 N -2.66 -0.15 0.09 5.32 -4.23 -0.32 -4.96 115.64 108.73 3hi1 s THR 151 Ca 0.32 0.37 0.03 0.00 -1.18 0.00 0.00 61.69 61.22 3hi1 s THR 151 Cb 0.02 -0.20 -0.04 0.00 1.34 0.00 0.00 72.50 73.63 3hi1 s THR 151 CO 0.16 0.15 0.13 -0.69 -0.54 0.00 0.00 174.62 173.83 3hi1 s VAL 152 N 2.03 4.77 0.20 2.29 1.01 -1.26 -1.01 120.40 128.43 3hi1 s VAL 152 Ca 0.02 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 3hi1 s VAL 152 Cb -0.12 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3hi1 s VAL 152 CO -0.04 0.08 0.25 -0.94 0.00 0.00 0.00 175.10 174.45 3hi1 s SER 153 N -2.59 0.08 -0.06 3.32 1.04 -0.53 -4.94 113.70 110.01 3hi1 s SER 153 Ca 0.31 -1.14 0.05 0.00 0.48 0.00 0.00 55.95 55.65 3hi1 s SER 153 Cb -0.12 0.44 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 3hi1 s SER 153 CO 0.24 -0.93 -0.21 0.26 0.98 0.00 0.00 173.24 173.58 3hi1 s TRP 154 N -4.07 2.13 -1.56 5.02 0.52 -1.26 0.44 118.94 120.16 3hi1 s TRP 154 Ca 0.29 -0.69 -0.09 0.00 0.02 0.00 0.00 56.10 55.63 3hi1 s TRP 154 Cb 0.04 -1.42 0.08 0.00 -1.15 0.00 0.00 33.47 31.02 3hi1 s TRP 154 CO 0.08 -0.24 0.56 0.09 0.02 0.00 0.00 176.95 177.46 3hi1 n ASN 155 N 3.19 -1.66 -2.60 2.95 3.02 0.15 0.18 115.26 120.48 3hi1 n ASN 155 Ca -0.18 -1.03 -0.21 0.00 -0.03 0.00 0.00 54.58 53.13 3hi1 n ASN 155 Cb 0.52 -2.80 0.02 0.00 -0.61 0.00 0.00 39.78 36.91 3hi1 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hi1 n SER 156 N -2.82 -5.79 0.00 6.41 7.64 -1.26 -2.28 113.62 115.51 3hi1 n SER 156 Ca -0.13 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.59 3hi1 n SER 156 Cb 0.59 -4.70 0.00 0.00 -1.01 0.00 0.00 64.21 59.10 3hi1 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hi1 n GLY 157 N -1.29 0.52 0.17 0.23 0.00 0.13 -4.90 105.19 100.04 3hi1 n GLY 157 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3hi1 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hi1 h ALA 158 N 0.00 -0.33 -2.19 4.61 0.00 -1.15 -3.40 119.26 116.80 3hi1 h ALA 158 Ca 0.00 -0.16 -0.59 0.00 0.00 0.00 0.00 54.91 54.16 3hi1 h ALA 158 Cb 0.08 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 3hi1 h ALA 158 CO 0.00 -0.55 0.60 -1.17 0.00 0.00 0.00 179.25 178.13 3hi1 s LEU 159 N -9.64 4.07 0.00 0.00 2.96 -1.12 -4.88 118.68 110.07 3hi1 s LEU 159 Ca -0.15 1.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.87 3hi1 s LEU 159 Cb 0.03 -3.32 0.00 0.00 0.50 0.00 0.00 46.19 43.40 3hi1 s LEU 159 CO 0.59 -0.60 0.00 0.35 -1.32 0.00 0.00 176.35 175.37 3hi1 n THR 160 N 5.35 0.00 -2.91 3.68 -2.24 -1.26 -4.01 114.28 112.90 3hi1 n THR 160 Ca 0.08 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.49 3hi1 n THR 160 Cb 0.47 -0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 68.21 3hi1 n THR 160 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hi1 s SER 161 N -3.83 7.24 0.00 3.42 1.04 -1.26 -3.28 113.70 117.03 3hi1 s SER 161 Ca 0.00 1.67 0.00 0.00 0.48 0.00 0.00 55.95 58.10 3hi1 s SER 161 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3hi1 s SER 161 CO 0.00 -0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.82 3hi1 n GLY 162 N 0.69 0.88 3.76 7.32 0.00 -1.26 -4.82 105.19 111.76 3hi1 n GLY 162 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3hi1 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hi1 s VAL 163 N -3.02 5.00 -0.10 1.61 1.01 -1.21 -2.49 120.40 121.20 3hi1 s VAL 163 Ca 0.00 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.10 3hi1 s VAL 163 Cb 0.00 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.53 3hi1 s VAL 163 CO 0.00 0.41 -0.10 -1.00 0.00 0.00 0.00 175.10 174.41 3hi1 s HIS 164 N -0.08 1.54 -0.20 5.22 3.76 0.18 -4.98 115.29 120.73 3hi1 s HIS 164 Ca 0.29 -0.71 -0.04 0.00 -0.15 0.00 0.00 55.06 54.45 3hi1 s HIS 164 Cb -0.17 -1.21 -0.02 0.00 1.11 0.00 0.00 32.58 32.30 3hi1 s HIS 164 CO 0.15 -0.44 -0.03 0.99 -0.85 0.00 0.00 174.74 174.56 3hi1 s THR 165 N 1.27 3.63 0.32 1.30 2.01 -1.26 0.46 115.64 123.38 3hi1 s THR 165 Ca -0.03 -0.42 -0.19 0.00 0.31 0.00 0.00 61.69 61.36 3hi1 s THR 165 Cb -0.14 -2.64 -0.09 0.00 0.01 0.00 0.00 72.50 69.64 3hi1 s THR 165 CO -0.04 0.43 0.81 -0.36 -0.69 0.00 0.00 174.62 174.78 3hi1 s PHE 166 N 1.16 3.47 0.40 4.92 0.08 -0.43 -5.00 117.98 122.58 3hi1 s PHE 166 Ca 0.02 1.43 -0.24 0.00 0.12 0.00 0.00 56.93 58.27 3hi1 s PHE 166 Cb -0.15 -2.69 -0.12 0.00 -0.57 0.00 0.00 43.02 39.50 3hi1 s PHE 166 CO 0.00 0.12 0.87 -2.30 -0.10 0.00 0.00 175.22 173.82 3hi1 n PRO 167 N -0.02 1.09 -1.77 0.24 -0.02 -1.26 -4.57 135.00 128.69 3hi1 n PRO 167 Ca 0.03 0.39 -0.33 0.00 -2.02 0.00 0.00 63.50 61.57 3hi1 n PRO 167 Cb 0.52 -1.85 0.04 0.00 -0.02 0.00 0.00 33.50 32.20 3hi1 n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hi1 s ALA 168 N -1.30 2.50 0.02 3.55 0.00 -1.26 -4.80 121.76 120.47 3hi1 s ALA 168 Ca 0.63 0.50 0.09 0.00 0.00 0.00 0.00 51.96 53.17 3hi1 s ALA 168 Cb -0.59 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.20 3hi1 s ALA 168 CO 0.57 -1.23 -0.26 0.14 0.00 0.00 0.00 175.76 174.98 3hi1 s VAL 169 N -2.40 2.06 -0.37 0.00 -7.23 -0.64 -4.93 120.40 106.88 3hi1 s VAL 169 Ca 0.66 -1.27 -0.24 0.00 -1.81 0.00 0.00 61.98 59.32 3hi1 s VAL 169 Cb -0.20 -1.74 0.01 0.00 0.56 0.00 0.00 36.38 35.01 3hi1 s VAL 169 CO 0.42 0.43 0.81 -0.22 -0.31 0.00 0.00 175.10 176.23 3hi1 s LEU 170 N -1.00 4.11 0.39 1.32 2.96 -1.26 -1.74 118.68 123.46 3hi1 s LEU 170 Ca 0.11 0.37 -0.23 0.00 -0.22 0.00 0.00 54.13 54.15 3hi1 s LEU 170 Cb -0.10 -3.07 -0.10 0.00 0.50 0.00 0.00 46.19 43.42 3hi1 s LEU 170 CO 0.01 -0.77 0.97 -1.10 -1.32 0.00 0.00 176.35 174.14 3hi1 s GLN 171 N 3.19 4.31 0.50 1.98 -0.21 0.09 -4.90 119.66 124.62 3hi1 s GLN 171 Ca 0.33 1.29 0.20 0.00 0.02 0.00 0.00 55.36 57.19 3hi1 s GLN 171 Cb -0.13 -2.46 1.09 0.00 1.00 0.00 0.00 33.01 32.52 3hi1 s GLN 171 CO 0.18 0.03 1.56 0.66 -2.12 0.00 0.00 175.29 175.60 3hi1 h SER 172 N 2.44 0.00 0.59 5.90 4.64 -1.96 1.07 113.55 126.22 3hi1 h SER 172 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3hi1 h SER 172 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3hi1 h SER 172 CO 0.62 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.04 3hi1 n SER 173 N -2.45 0.00 0.00 4.97 3.41 -1.26 -4.85 113.62 113.43 3hi1 n SER 173 Ca -0.01 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 3hi1 n SER 173 Cb 0.38 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3hi1 n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hi1 n GLY 174 N 0.27 0.66 3.51 5.00 0.00 0.37 -5.05 105.19 109.95 3hi1 n GLY 174 Ca 0.04 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3hi1 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hi1 s LEU 175 N 0.00 2.78 0.60 0.99 1.43 -1.21 -4.90 118.68 118.36 3hi1 s LEU 175 Ca 0.00 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 52.56 3hi1 s LEU 175 Cb 0.00 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 3hi1 s LEU 175 CO 0.00 0.20 0.93 -0.31 0.23 0.00 0.00 176.35 177.40 3hi1 s TYR 176 N -1.10 3.36 -0.28 0.29 1.51 0.79 -0.73 117.35 121.19 3hi1 s TYR 176 Ca 0.18 0.81 -0.17 0.00 -1.01 0.00 0.00 57.07 56.89 3hi1 s TYR 176 Cb -0.11 -2.72 0.09 0.00 -0.11 0.00 0.00 41.96 39.12 3hi1 s TYR 176 CO 0.10 -0.78 0.75 0.45 -1.11 0.00 0.00 175.55 174.95 3hi1 s SER 177 N -4.27 -0.86 0.23 2.29 0.15 -0.71 -1.28 113.70 109.25 3hi1 s SER 177 Ca 0.54 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.57 3hi1 s SER 177 Cb -0.11 1.35 -0.04 0.00 -1.71 0.00 0.00 66.02 65.52 3hi1 s SER 177 CO 0.47 -0.22 0.14 -1.48 1.20 0.00 0.00 173.24 173.35 3hi1 s LEU 178 N 1.51 1.31 0.05 3.45 0.05 -0.16 -1.63 118.68 123.26 3hi1 s LEU 178 Ca -0.09 -1.43 0.05 0.00 0.05 0.00 0.00 54.13 52.70 3hi1 s LEU 178 Cb -0.05 0.33 -0.02 0.00 -2.05 0.00 0.00 46.19 44.40 3hi1 s LEU 178 CO -0.18 -0.85 -0.13 -0.94 -0.55 0.00 0.00 176.35 173.70 3hi1 s SER 179 N -3.22 1.55 -0.04 1.48 1.04 -1.26 -0.54 113.70 112.71 3hi1 s SER 179 Ca 0.39 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 56.34 3hi1 s SER 179 Cb 0.07 -0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 3hi1 s SER 179 CO 0.14 -0.04 -0.21 -0.55 0.98 0.00 0.00 173.24 173.56 3hi1 s SER 180 N -1.43 2.52 0.17 7.02 0.15 -0.56 -1.32 113.70 120.25 3hi1 s SER 180 Ca -0.01 -0.41 0.04 0.00 0.70 0.00 0.00 55.95 56.26 3hi1 s SER 180 Cb -0.09 -0.61 -0.05 0.00 -1.71 0.00 0.00 66.02 63.57 3hi1 s SER 180 CO 0.02 0.21 -0.06 0.68 1.20 0.00 0.00 173.24 175.28 3hi1 s VAL 181 N -0.14 1.02 0.03 4.45 -7.23 0.17 -0.48 120.40 118.21 3hi1 s VAL 181 Ca -0.01 -2.03 -0.13 0.00 -1.81 0.00 0.00 61.98 58.00 3hi1 s VAL 181 Cb -0.11 -2.00 0.02 0.00 0.56 0.00 0.00 36.38 34.84 3hi1 s VAL 181 CO 0.02 -0.61 0.27 0.54 -0.31 0.00 0.00 175.10 175.01 3hi1 s VAL 182 N -3.43 0.08 -0.05 1.32 0.11 -0.47 0.49 120.40 118.46 3hi1 s VAL 182 Ca 0.20 -0.68 0.04 0.00 -2.93 0.00 0.00 61.98 58.62 3hi1 s VAL 182 Cb 0.04 -0.82 -0.02 0.00 -1.53 0.00 0.00 36.38 34.04 3hi1 s VAL 182 CO 0.03 -0.37 -0.16 0.42 -3.33 0.00 0.00 175.10 171.68 3hi1 s THR 183 N -2.18 2.91 -0.04 5.04 -4.23 -1.04 -1.99 115.64 114.11 3hi1 s THR 183 Ca -0.08 -0.78 -0.10 0.00 -1.18 0.00 0.00 61.69 59.56 3hi1 s THR 183 Cb -0.02 -2.12 0.02 0.00 1.34 0.00 0.00 72.50 71.71 3hi1 s THR 183 CO -0.01 0.59 0.22 0.68 -0.54 0.00 0.00 174.62 175.56 3hi1 s VAL 184 N -0.70 0.04 0.16 2.29 -7.23 0.27 -4.83 120.40 110.40 3hi1 s VAL 184 Ca 0.11 -0.37 -0.34 0.00 -1.81 0.00 0.00 61.98 59.57 3hi1 s VAL 184 Cb -0.11 -0.45 -0.14 0.00 0.56 0.00 0.00 36.38 36.24 3hi1 s VAL 184 CO 0.00 -0.20 1.50 -0.81 -0.31 0.00 0.00 175.10 175.28 3hi1 n PRO 185 N 1.98 1.94 -0.32 4.82 -0.04 -1.26 -0.08 135.00 142.03 3hi1 n PRO 185 Ca -0.19 0.70 0.05 0.00 -0.04 0.00 0.00 63.50 64.02 3hi1 n PRO 185 Cb 0.57 -2.42 0.20 0.00 -0.04 0.00 0.00 33.50 31.80 3hi1 n PRO 185 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3hi1 h SER 186 N 5.38 0.78 -1.10 3.54 0.02 -1.49 -0.95 113.55 119.73 3hi1 h SER 186 Ca -0.45 0.05 0.31 0.00 -0.84 0.00 0.00 61.79 60.86 3hi1 h SER 186 Cb 1.27 -0.11 -0.11 0.00 0.14 0.00 0.00 62.40 63.59 3hi1 h SER 186 CO 0.85 0.43 0.69 0.77 -1.14 0.00 0.00 176.83 178.43 3hi1 h SER 187 N 0.88 0.43 1.25 3.07 4.64 -1.90 -0.39 113.55 121.54 3hi1 h SER 187 Ca 0.44 0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.84 3hi1 h SER 187 Cb 0.41 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3hi1 h SER 187 CO -0.26 -0.01 -0.17 0.77 -0.87 0.00 0.00 176.83 176.29 3hi1 h SER 188 N 0.33 0.00 -1.04 4.97 4.64 -1.53 -3.31 113.55 117.61 3hi1 h SER 188 Ca 0.68 0.00 0.30 0.00 -0.47 0.00 0.00 61.79 62.29 3hi1 h SER 188 Cb 1.76 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.72 3hi1 h SER 188 CO -0.39 0.17 0.63 -0.07 -0.87 0.00 0.00 176.83 176.29 3hi1 h LEU 189 N 0.00 0.53 -0.20 5.97 3.38 -1.14 -0.09 115.31 123.75 3hi1 h LEU 189 Ca -0.00 0.15 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 3hi1 h LEU 189 Cb 0.84 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 3hi1 h LEU 189 CO 0.02 -0.02 -0.92 1.23 0.09 0.00 0.00 178.44 178.84 3hi1 h GLY 190 N 0.40 0.40 0.00 0.83 0.00 -1.76 -3.40 103.07 99.55 3hi1 h GLY 190 Ca 0.69 -0.71 -0.33 0.00 0.00 0.00 0.00 47.33 46.98 3hi1 h GLY 190 CO -0.48 0.62 -2.10 -1.30 0.00 0.00 0.00 176.54 173.28 3hi1 n THR 191 N -3.73 1.52 -2.22 4.70 -2.24 -0.85 -4.98 114.28 106.49 3hi1 n THR 191 Ca -0.06 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.08 3hi1 n THR 191 Cb 0.83 -2.01 -0.03 0.00 -2.10 0.00 0.00 70.33 67.01 3hi1 n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3hi1 s GLN 192 N -2.62 4.40 -0.04 -0.78 2.00 -0.11 -5.04 119.66 117.48 3hi1 s GLN 192 Ca -0.36 2.09 0.00 0.00 -2.00 0.00 0.00 55.36 55.09 3hi1 s GLN 192 Cb 0.12 -3.07 -0.03 0.00 0.80 0.00 0.00 33.01 30.82 3hi1 s GLN 192 CO 0.47 -0.10 -0.01 -0.08 -0.50 0.00 0.00 175.29 175.07 3hi1 s THR 193 N -1.17 4.11 -0.14 -0.34 -1.32 -1.26 -4.72 115.64 110.80 3hi1 s THR 193 Ca 0.48 -0.46 0.01 0.00 -1.21 0.00 0.00 61.69 60.51 3hi1 s THR 193 Cb -0.37 -2.77 0.02 0.00 -1.51 0.00 0.00 72.50 67.87 3hi1 s THR 193 CO 0.49 0.50 -0.15 -0.31 -2.21 0.00 0.00 174.62 172.93 3hi1 s TYR 194 N -0.96 2.22 -0.09 9.09 1.51 -1.26 -4.95 117.35 122.91 3hi1 s TYR 194 Ca 0.16 -1.21 0.01 0.00 -1.01 0.00 0.00 57.07 55.02 3hi1 s TYR 194 Cb -0.11 -1.61 0.02 0.00 -0.11 0.00 0.00 41.96 40.15 3hi1 s TYR 194 CO 0.06 -0.64 -0.11 0.42 -1.11 0.00 0.00 175.55 174.17 3hi1 s ILE 195 N 1.32 1.14 0.12 2.71 1.09 -1.26 -0.59 121.20 125.74 3hi1 s ILE 195 Ca 0.02 -0.44 -0.12 0.00 -1.10 0.00 0.00 60.65 59.01 3hi1 s ILE 195 Cb -0.13 -1.08 -0.06 0.00 -1.06 0.00 0.00 42.46 40.12 3hi1 s ILE 195 CO -0.09 0.37 0.48 0.00 -0.10 0.00 0.00 174.94 175.60 3hi1 s ASN 197 N -1.79 4.98 -0.21 0.00 -0.87 0.17 -2.29 114.94 114.93 3hi1 s ASN 197 Ca 0.36 -1.44 -0.09 0.00 -1.57 0.00 0.00 52.86 50.13 3hi1 s ASN 197 Cb -0.14 -1.74 -0.04 0.00 -0.02 0.00 0.00 41.25 39.30 3hi1 s ASN 197 CO 0.19 -0.32 0.10 -0.69 -2.57 0.00 0.00 177.10 173.81 3hi1 s VAL 198 N 1.23 5.07 -0.12 1.60 1.01 0.13 -1.46 120.40 127.86 3hi1 s VAL 198 Ca -0.02 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.06 3hi1 s VAL 198 Cb -0.20 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 3hi1 s VAL 198 CO -0.02 0.42 -0.21 0.20 0.00 0.00 0.00 175.10 175.50 3hi1 s ASN 199 N 0.61 3.34 -0.54 3.32 0.01 -0.18 -0.55 114.94 120.95 3hi1 s ASN 199 Ca 0.06 -0.51 0.04 0.00 -0.71 0.00 0.00 52.86 51.73 3hi1 s ASN 199 Cb -0.12 -1.47 0.16 0.00 0.41 0.00 0.00 41.25 40.22 3hi1 s ASN 199 CO 0.01 0.14 0.36 -2.28 -1.51 0.00 0.00 177.10 173.82 3hi1 s HIS 200 N 0.46 2.41 0.19 2.20 5.65 -0.08 -1.17 115.29 124.95 3hi1 s HIS 200 Ca -0.14 -2.78 -0.16 0.00 0.25 0.00 0.00 55.06 52.23 3hi1 s HIS 200 Cb -0.17 -1.99 0.16 0.00 -1.18 0.00 0.00 32.58 29.41 3hi1 s HIS 200 CO 0.06 -0.70 1.64 0.87 -0.65 0.00 0.00 174.74 175.96 3hi1 h LYS 201 N 5.92 -0.02 -1.25 2.88 1.79 -1.78 -1.55 116.57 122.57 3hi1 h LYS 201 Ca 0.12 0.00 0.36 0.00 -2.18 0.00 0.00 60.65 58.95 3hi1 h LYS 201 Cb 0.85 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.42 3hi1 h LYS 201 CO 0.55 -0.01 0.85 -1.35 -1.08 0.00 0.00 179.45 178.41 3hi1 h PRO 202 N -0.02 0.14 -0.32 3.15 0.11 -1.92 0.19 132.00 133.34 3hi1 h PRO 202 Ca 0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3hi1 h PRO 202 Cb 0.39 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3hi1 h PRO 202 CO -0.54 0.10 0.00 -1.13 -0.21 0.00 0.00 178.00 176.22 3hi1 n SER 203 N -4.42 2.85 -2.43 -2.05 3.41 -0.63 -4.97 113.62 105.38 3hi1 n SER 203 Ca 0.30 -1.90 -0.20 0.00 -0.26 0.00 0.00 58.87 56.80 3hi1 n SER 203 Cb 1.24 -0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 3hi1 n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hi1 n ASN 204 N 0.67 -5.72 -4.69 4.04 3.02 0.68 -4.92 115.26 108.34 3hi1 n ASN 204 Ca 0.12 -0.10 -0.35 0.00 -0.03 0.00 0.00 54.58 54.22 3hi1 n ASN 204 Cb 0.42 -4.69 -0.09 0.00 -0.61 0.00 0.00 39.78 34.82 3hi1 n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hi1 s THR 205 N -3.03 5.03 -0.11 3.41 2.01 -0.98 -5.01 115.64 116.96 3hi1 s THR 205 Ca 0.09 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.13 3hi1 s THR 205 Cb -0.04 -3.26 0.03 0.00 0.01 0.00 0.00 72.50 69.24 3hi1 s THR 205 CO 0.11 0.48 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.73 3hi1 s LYS 206 N 0.12 1.11 -0.02 4.92 2.20 -1.26 -0.90 119.74 125.92 3hi1 s LYS 206 Ca 0.06 -0.14 0.06 0.00 -0.36 0.00 0.00 55.97 55.59 3hi1 s LYS 206 Cb -0.12 -1.41 -0.01 0.00 -1.51 0.00 0.00 37.83 34.77 3hi1 s LYS 206 CO 0.00 -0.32 -0.21 0.08 -0.36 0.00 0.00 175.35 174.55 3hi1 s VAL 207 N 1.81 1.66 -0.27 4.02 1.01 0.28 -4.98 120.40 123.93 3hi1 s VAL 207 Ca 0.04 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3hi1 s VAL 207 Cb -0.13 -1.38 0.07 0.00 0.00 0.00 0.00 36.38 34.94 3hi1 s VAL 207 CO -0.07 0.47 -0.03 -1.81 0.00 0.00 0.00 175.10 173.66 3hi1 s ASP 208 N -0.42 4.23 -0.18 3.32 -0.00 -1.26 0.20 116.67 122.56 3hi1 s ASP 208 Ca 0.06 -1.50 -0.07 0.00 -0.00 0.00 0.00 52.55 51.04 3hi1 s ASP 208 Cb -0.09 -1.34 -0.04 0.00 -0.00 0.00 0.00 42.92 41.45 3hi1 s ASP 208 CO -0.00 -0.27 0.06 -0.75 -0.00 0.00 0.00 175.17 174.20 3hi1 s LYS 209 N 1.23 3.93 -0.20 8.23 2.47 -0.97 -4.96 119.74 129.47 3hi1 s LYS 209 Ca -0.01 -0.34 -0.25 0.00 -1.56 0.00 0.00 55.97 53.81 3hi1 s LYS 209 Cb -0.19 -3.20 -0.01 0.00 -1.46 0.00 0.00 37.83 32.97 3hi1 s LYS 209 CO -0.08 0.31 0.85 0.21 0.16 0.00 0.00 175.35 176.79 3hi1 s LYS 210 N 0.28 4.26 -0.19 4.03 2.20 -1.26 -2.06 119.74 127.00 3hi1 s LYS 210 Ca 0.04 1.03 -0.08 0.00 -0.36 0.00 0.00 55.97 56.59 3hi1 s LYS 210 Cb -0.12 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 3hi1 s LYS 210 CO 0.00 -0.41 0.09 0.08 -0.36 0.00 0.00 175.35 174.75 3hi1 s VAL 211 N 2.45 5.02 0.17 4.02 1.01 0.25 -4.89 120.40 128.42 3hi1 s VAL 211 Ca 0.38 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 62.22 3hi1 s VAL 211 Cb -0.16 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 32.99 3hi1 s VAL 211 CO 0.10 0.46 0.52 -1.83 0.00 0.00 0.00 175.10 174.35 3hi1 s GLU 212 N 0.33 1.30 0.20 2.72 -1.05 -1.26 -4.19 118.70 116.75 3hi1 s GLU 212 Ca 0.05 -0.73 -0.31 0.00 -0.15 0.00 0.00 54.97 53.83 3hi1 s GLU 212 Cb -0.12 0.53 -0.09 0.00 -0.44 0.00 0.00 34.13 34.01 3hi1 s GLU 212 CO -0.01 -0.55 1.43 -2.14 0.95 0.00 0.00 175.26 174.94 3hi1 s PRO 213 N -3.83 4.29 -0.23 -4.83 0.02 -1.26 -4.51 135.00 124.65 3hi1 s PRO 213 Ca 0.06 2.22 -0.22 0.00 0.02 0.00 0.00 61.00 63.08 3hi1 s PRO 213 Cb -0.01 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.34 3hi1 s PRO 213 CO -0.07 -0.43 0.70 -1.59 -0.33 0.00 0.00 177.00 175.28 3hi1 s LYS 214 N 0.28 4.18 0.00 5.54 -2.85 -1.26 -5.04 119.74 120.58 3hi1 s LYS 214 Ca 0.62 0.72 0.00 0.00 -1.00 0.00 0.00 55.97 56.31 3hi1 s LYS 214 Cb -0.40 -3.62 0.00 0.00 -2.06 0.00 0.00 37.83 31.75 3hi1 s LYS 214 CO 0.37 -0.38 0.00 -1.13 0.10 0.00 0.00 175.35 174.31