#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shh s VAL 17 N 0.00 5.06 -1.57 1.39 1.01 0.27 -4.22 120.40 122.33 1shh s VAL 17 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1shh s VAL 17 Cb 0.00 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1shh s VAL 17 CO 0.00 0.52 0.25 -0.62 0.00 0.00 0.00 175.10 175.25 1shh n GLU 18 N 2.91 -2.89 -0.34 2.72 -0.58 -1.26 -2.14 120.64 119.06 1shh n GLU 18 Ca -0.18 0.90 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1shh n GLU 18 Cb 0.53 -5.55 0.00 0.00 -0.57 0.00 0.00 31.44 25.85 1shh n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1shh n GLY 19 N -1.22 2.11 3.17 0.62 0.00 -1.26 -4.68 105.19 103.93 1shh n GLY 19 Ca -0.18 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.68 1shh n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1shh s SER 20 N -0.95 0.29 0.31 1.61 1.04 -0.31 -4.91 113.70 110.78 1shh s SER 20 Ca 0.00 -1.09 -0.29 0.00 0.48 0.00 0.00 55.95 55.04 1shh s SER 20 Cb 0.00 0.30 -0.11 0.00 0.10 0.00 0.00 66.02 66.31 1shh s SER 20 CO 0.00 -0.73 1.54 -1.81 0.98 0.00 0.00 173.24 173.22 1shh s ASP 21 N -3.01 6.40 0.52 7.02 1.11 -1.26 -0.76 116.67 126.70 1shh s ASP 21 Ca 0.19 2.94 -0.18 0.00 0.18 0.00 0.00 52.55 55.68 1shh s ASP 21 Cb 0.07 -2.64 -0.07 0.00 1.07 0.00 0.00 42.92 41.35 1shh s ASP 21 CO -0.01 -0.87 1.04 0.00 1.18 0.00 0.00 175.17 176.50 1shh s ALA 22 N -0.33 2.85 0.49 5.23 0.00 0.52 -4.78 121.76 125.74 1shh s ALA 22 Ca 0.60 0.50 -0.18 0.00 0.00 0.00 0.00 51.96 52.87 1shh s ALA 22 Cb -0.47 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 1shh s ALA 22 CO 0.52 -0.46 0.98 -1.21 0.00 0.00 0.00 175.76 175.59 1shh s GLU 23 N -3.58 4.00 0.24 0.00 2.02 -1.26 -4.90 118.70 115.22 1shh s GLU 23 Ca 0.65 1.04 -0.31 0.00 0.02 0.00 0.00 54.97 56.37 1shh s GLU 23 Cb -0.15 -2.14 -0.11 0.00 0.10 0.00 0.00 34.13 31.82 1shh s GLU 23 CO 0.26 -0.23 1.65 0.42 0.02 0.00 0.00 175.26 177.39 1shh s ILE 24 N -2.45 2.11 0.00 -1.63 1.01 -1.26 -2.08 121.20 116.90 1shh s ILE 24 Ca 0.60 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.34 1shh s ILE 24 Cb -0.10 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.31 1shh s ILE 24 CO 0.25 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1shh n GLY 25 N 3.16 0.52 0.26 6.18 0.00 -1.26 -4.90 105.19 109.14 1shh n GLY 25 Ca 0.12 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.29 1shh n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1shh h MET 26 N 1.26 0.00 -1.79 1.61 -1.53 -1.81 -3.34 114.93 109.33 1shh h MET 26 Ca 0.00 0.00 -0.52 0.00 -3.44 0.00 0.00 59.70 55.74 1shh h MET 26 Cb 0.14 0.00 -0.36 0.00 -0.55 0.00 0.00 31.60 30.83 1shh h MET 26 CO 0.00 0.08 -1.03 0.45 0.14 0.00 0.00 176.91 176.55 1shh n SER 27 N -3.20 -0.24 0.00 1.39 2.88 -1.26 -4.98 113.62 108.21 1shh n SER 27 Ca 0.01 -2.75 0.06 0.00 -1.33 0.00 0.00 58.87 54.86 1shh n SER 27 Cb 0.36 -0.34 0.26 0.00 -0.75 0.00 0.00 64.21 63.74 1shh n SER 27 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1shh n PRO 28 N 1.52 0.06 -0.02 -1.46 -0.04 -1.26 -1.43 135.00 132.37 1shh n PRO 28 Ca 0.20 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 64.05 1shh n PRO 28 Cb 0.54 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.84 1shh n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1shh n TRP 29 N -1.43 0.06 -1.95 0.54 2.14 -1.01 -1.78 117.44 114.02 1shh n TRP 29 Ca 0.04 -0.03 -0.42 0.00 2.07 0.00 0.00 57.50 59.16 1shh n TRP 29 Cb 0.12 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.60 1shh n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1shh s GLN 30 N -1.94 4.23 0.00 -2.67 2.00 -0.51 -0.67 119.66 120.10 1shh s GLN 30 Ca 0.34 2.36 0.04 0.00 -2.00 0.00 0.00 55.36 56.10 1shh s GLN 30 Cb 0.20 -3.11 -0.01 0.00 0.80 0.00 0.00 33.01 30.89 1shh s GLN 30 CO 0.31 -0.50 -0.12 0.08 -0.50 0.00 0.00 175.29 174.56 1shh s VAL 31 N 0.28 0.97 -0.13 1.34 1.01 -0.43 -3.97 120.40 119.47 1shh s VAL 31 Ca 0.63 -0.65 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 1shh s VAL 31 Cb -0.43 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1shh s VAL 31 CO 0.41 0.18 -0.00 -0.04 0.00 0.00 0.00 175.10 175.65 1shh s MET 32 N -0.53 3.42 -0.22 2.72 1.00 -0.19 -0.95 119.30 124.54 1shh s MET 32 Ca 0.03 -0.44 -0.07 0.00 0.00 0.00 0.00 55.69 55.22 1shh s MET 32 Cb -0.06 -2.91 -0.03 0.00 0.00 0.00 0.00 34.83 31.83 1shh s MET 32 CO -0.00 0.45 0.05 -1.17 0.00 0.00 0.00 175.02 174.35 1shh s LEU 33 N -0.19 3.45 0.06 -0.03 2.96 -0.38 -1.40 118.68 123.15 1shh s LEU 33 Ca 0.05 -0.16 0.09 0.00 -0.22 0.00 0.00 54.13 53.89 1shh s LEU 33 Cb -0.13 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 1shh s LEU 33 CO 0.02 0.03 -0.24 -0.36 -1.32 0.00 0.00 176.35 174.48 1shh s PHE 34 N 1.24 2.39 0.07 5.38 0.08 0.21 -0.71 117.98 126.64 1shh s PHE 34 Ca 0.04 -0.36 -0.23 0.00 0.12 0.00 0.00 56.93 56.51 1shh s PHE 34 Cb -0.15 -1.38 -0.06 0.00 -0.57 0.00 0.00 43.02 40.86 1shh s PHE 34 CO 0.03 0.21 0.69 0.50 -0.10 0.00 0.00 175.22 176.55 1shh s ARG 35 N -1.49 4.42 0.02 0.44 3.52 -0.16 -1.41 118.95 124.29 1shh s ARG 35 Ca 0.13 0.95 -0.22 0.00 -0.13 0.00 0.00 55.73 56.46 1shh s ARG 35 Cb -0.10 -3.31 -0.16 0.00 -1.56 0.00 0.00 34.95 29.82 1shh s ARG 35 CO 0.04 0.44 1.36 0.87 -0.81 0.00 0.00 175.30 177.20 1shh h LYS 36 N 5.14 0.21 -3.03 5.12 1.57 -1.11 -2.99 116.57 121.49 1shh h LYS 36 Ca -0.46 -0.09 -0.26 0.00 -1.87 0.00 0.00 60.65 57.96 1shh h LYS 36 Cb 1.21 -0.00 -0.34 0.00 0.08 0.00 0.00 32.23 33.17 1shh h LYS 36 CO 0.68 0.58 -0.59 0.45 -0.57 0.00 0.00 179.45 179.99 1shh s SER 36 N -5.87 0.52 1.06 0.86 0.15 -1.26 -3.25 113.70 105.91 1shh s SER 36 Ca -0.15 0.42 -0.16 0.00 0.70 0.00 0.00 55.95 56.76 1shh s SER 36 Cb 0.04 0.41 0.22 0.00 -1.71 0.00 0.00 66.02 64.98 1shh s SER 36 CO 0.72 -0.23 1.15 -2.16 1.20 0.00 0.00 173.24 173.91 1shh s PRO 37 N 2.20 -0.10 0.08 5.44 0.04 -1.26 -5.04 135.00 136.35 1shh s PRO 37 Ca 0.01 0.06 -0.31 0.00 0.04 0.00 0.00 61.00 60.80 1shh s PRO 37 Cb -0.12 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.63 1shh s PRO 37 CO -0.07 -2.99 1.53 -1.14 0.04 0.00 0.00 177.00 174.37 1shh s GLN 38 N -5.37 4.24 -0.23 4.56 0.74 -1.20 -4.67 119.66 117.73 1shh s GLN 38 Ca 0.69 2.21 -0.09 0.00 0.05 0.00 0.00 55.36 58.22 1shh s GLN 38 Cb -0.12 -3.44 0.10 0.00 1.10 0.00 0.00 33.01 30.65 1shh s GLN 38 CO 0.55 -0.62 0.51 -2.00 -0.55 0.00 0.00 175.29 173.18 1shh s GLU 39 N 2.01 0.44 -0.17 1.67 2.12 -1.13 -4.97 118.70 118.67 1shh s GLU 39 Ca 0.69 1.15 -0.29 0.00 0.36 0.00 0.00 54.97 56.88 1shh s GLU 39 Cb -0.38 0.45 -0.01 0.00 0.26 0.00 0.00 34.13 34.44 1shh s GLU 39 CO 0.30 -0.22 1.20 -1.17 -0.54 0.00 0.00 175.26 174.84 1shh s LEU 40 N 2.48 4.17 -0.22 2.70 2.96 -1.26 -0.99 118.68 128.52 1shh s LEU 40 Ca -0.05 1.63 -0.08 0.00 -0.22 0.00 0.00 54.13 55.42 1shh s LEU 40 Cb -0.11 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.86 1shh s LEU 40 CO -0.15 -0.72 -0.05 0.18 -1.32 0.00 0.00 176.35 174.28 1shh n LEU 41 N 6.40 2.47 0.00 -0.68 4.77 0.11 -4.97 117.00 125.11 1shh n LEU 41 Ca 0.13 0.15 -0.04 0.00 -0.03 0.00 0.00 56.01 56.22 1shh n LEU 41 Cb 0.45 -0.95 0.02 0.00 -2.33 0.00 0.00 43.42 40.61 1shh n LEU 41 CO 0.55 0.73 0.54 0.00 -1.33 0.00 0.00 177.39 177.88 1shh s GLY 43 N -2.89 1.97 0.14 0.00 0.00 0.75 -1.25 107.32 106.04 1shh s GLY 43 Ca 0.15 -1.82 -0.24 0.00 0.00 0.00 0.00 44.72 42.82 1shh s GLY 43 CO 0.06 -1.76 1.09 0.00 0.00 0.00 0.00 173.10 172.49 1shh s ALA 44 N -2.68 -1.77 0.01 3.20 0.00 -0.13 -3.76 121.76 116.62 1shh s ALA 44 Ca 0.52 -0.20 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 1shh s ALA 44 Cb -0.05 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1shh s ALA 44 CO 0.32 -1.08 0.03 -1.54 0.00 0.00 0.00 175.76 173.49 1shh s SER 45 N -3.43 0.12 -0.25 0.00 1.04 -0.28 -1.31 113.70 109.60 1shh s SER 45 Ca 0.22 -0.30 -0.20 0.00 0.48 0.00 0.00 55.95 56.16 1shh s SER 45 Cb -0.02 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 1shh s SER 45 CO 0.04 -0.25 0.61 -0.22 0.98 0.00 0.00 173.24 174.40 1shh s LEU 46 N -1.11 4.07 0.00 2.42 2.96 0.15 -0.25 118.68 126.93 1shh s LEU 46 Ca -0.12 0.70 0.10 0.00 -0.22 0.00 0.00 54.13 54.59 1shh s LEU 46 Cb -0.07 -2.83 -0.06 0.00 0.50 0.00 0.00 46.19 43.73 1shh s LEU 46 CO -0.00 -0.34 0.53 2.30 -1.32 0.00 0.00 176.35 177.52 1shh n ILE 47 N 5.11 0.00 -3.81 6.68 -6.64 -0.53 -1.78 119.36 118.39 1shh n ILE 47 Ca -0.01 -0.33 -0.03 0.00 -1.77 0.00 0.00 62.75 60.61 1shh n ILE 47 Cb 0.49 1.06 0.02 0.00 -1.44 0.00 0.00 39.64 39.77 1shh n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 1shh n SER 48 N -0.74 -1.58 0.00 7.28 3.41 -1.19 -4.75 113.62 116.04 1shh n SER 48 Ca 0.03 -1.89 0.12 0.00 -0.26 0.00 0.00 58.87 56.88 1shh n SER 48 Cb 0.19 2.59 0.67 0.00 -0.26 0.00 0.00 64.21 67.39 1shh n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1shh n ASP 49 N -1.24 0.00 0.00 4.04 5.68 -1.26 -3.61 116.55 120.15 1shh n ASP 49 Ca -0.03 -0.30 0.00 0.00 -0.50 0.00 0.00 54.79 53.96 1shh n ASP 49 Cb 0.50 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 1shh n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1shh n ARG 50 N -1.19 1.45 -5.11 0.11 5.12 -1.26 -0.59 116.66 115.18 1shh n ARG 50 Ca 0.14 -0.11 -0.29 0.00 -1.93 0.00 0.00 57.85 55.66 1shh n ARG 50 Cb 0.16 -0.48 -0.16 0.00 -1.16 0.00 0.00 32.46 30.82 1shh n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1shh s TRP 51 N -0.24 2.11 -0.05 -1.55 0.52 -1.24 -0.44 118.94 118.06 1shh s TRP 51 Ca 0.00 -0.55 0.04 0.00 0.02 0.00 0.00 56.10 55.62 1shh s TRP 51 Cb 0.00 -1.39 -0.00 0.00 -1.15 0.00 0.00 33.47 30.93 1shh s TRP 51 CO 0.00 -0.14 -0.18 0.08 0.02 0.00 0.00 176.95 176.73 1shh s VAL 52 N -0.25 1.49 -0.08 4.03 1.01 -0.39 -1.45 120.40 124.76 1shh s VAL 52 Ca 0.01 -0.75 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 1shh s VAL 52 Cb -0.11 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1shh s VAL 52 CO 0.02 0.43 0.12 -0.22 0.00 0.00 0.00 175.10 175.44 1shh s LEU 53 N 0.03 4.20 0.00 3.92 2.96 0.66 -0.83 118.68 129.62 1shh s LEU 53 Ca -0.04 0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 54.19 1shh s LEU 53 Cb -0.12 -2.14 0.02 0.00 0.50 0.00 0.00 46.19 44.45 1shh s LEU 53 CO 0.02 0.37 0.34 1.07 -1.32 0.00 0.00 176.35 176.83 1shh n THR 54 N 1.76 0.00 -3.27 3.68 5.66 -0.42 -1.12 114.28 120.56 1shh n THR 54 Ca -0.18 -0.75 -0.39 0.00 -3.05 0.00 0.00 64.05 59.68 1shh n THR 54 Cb 0.54 0.56 -0.06 0.00 -1.55 0.00 0.00 70.33 69.83 1shh n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1shh s ALA 55 N -1.91 3.56 0.38 1.79 0.00 -1.26 -1.47 121.76 122.86 1shh s ALA 55 Ca 0.12 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.14 1shh s ALA 55 Cb -0.02 -2.65 0.76 0.00 0.00 0.00 0.00 23.12 21.22 1shh s ALA 55 CO 0.09 0.32 2.03 0.00 0.00 0.00 0.00 175.76 178.20 1shh h ALA 56 N 4.98 1.63 0.00 0.00 0.00 -1.69 -2.34 119.26 121.83 1shh h ALA 56 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1shh h ALA 56 Cb 1.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1shh h ALA 56 CO 0.66 0.34 0.00 -2.39 0.00 0.00 0.00 179.25 177.85 1shh n HIS 57 N -4.45 0.32 0.23 0.00 1.44 -1.26 -0.69 115.22 110.81 1shh n HIS 57 Ca 0.04 0.14 0.12 0.00 -2.01 0.00 0.00 57.72 56.01 1shh n HIS 57 Cb 0.06 -0.72 0.31 0.00 0.12 0.00 0.00 29.99 29.77 1shh n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1shh n LEU 59 N -3.13 2.38 -3.78 0.00 4.77 0.09 -4.92 117.00 112.40 1shh n LEU 59 Ca 0.03 -0.06 -0.26 0.00 -0.03 0.00 0.00 56.01 55.68 1shh n LEU 59 Cb 0.48 -0.36 -0.17 0.00 -2.33 0.00 0.00 43.42 41.05 1shh n LEU 59 CO 0.33 0.66 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.44 1shh s LEU 60 N -5.66 1.07 0.21 2.23 2.96 0.14 -1.27 118.68 118.35 1shh s LEU 60 Ca -0.17 -0.53 -0.16 0.00 -0.22 0.00 0.00 54.13 53.05 1shh s LEU 60 Cb 0.05 -0.61 0.02 0.00 0.50 0.00 0.00 46.19 46.14 1shh s LEU 60 CO 0.37 -0.24 0.50 -0.47 -1.32 0.00 0.00 176.35 175.19 1shh s TYR 60 N 1.85 0.03 0.00 5.38 5.04 0.35 -4.17 117.35 125.83 1shh s TYR 60 Ca 0.02 -0.39 0.00 0.00 -2.44 0.00 0.00 57.07 54.26 1shh s TYR 60 Cb -0.15 0.33 0.00 0.00 0.35 0.00 0.00 41.96 42.49 1shh s TYR 60 CO -0.07 -0.94 0.00 -2.30 -1.34 0.00 0.00 175.55 170.90 1shh n PRO 60 N -0.34 0.00 -0.52 4.97 -0.02 -1.26 -2.20 135.00 135.62 1shh n PRO 60 Ca -0.08 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.47 1shh n PRO 60 Cb 0.62 0.00 0.27 0.00 -0.02 0.00 0.00 33.50 34.37 1shh n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1shh n TRP 60 N 0.00 1.08 -3.75 6.00 8.01 -1.26 -4.96 117.44 122.56 1shh n TRP 60 Ca 0.00 -0.94 -0.26 0.00 -1.31 0.00 0.00 57.50 55.00 1shh n TRP 60 Cb 0.00 -0.36 0.05 0.00 -2.01 0.00 0.00 31.31 28.99 1shh n TRP 60 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1shh n ASP 60 N -0.48 -4.28 -4.28 -0.99 2.03 -1.17 -4.97 116.55 102.41 1shh n ASP 60 Ca 0.23 -0.71 -0.34 0.00 0.52 0.00 0.00 54.79 54.50 1shh n ASP 60 Cb 0.94 -4.34 -0.15 0.00 -0.72 0.00 0.00 41.12 36.86 1shh n ASP 60 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1shh s LYS 60 N -6.30 3.27 -0.47 -0.67 2.20 -0.93 -5.02 119.74 111.81 1shh s LYS 60 Ca 0.46 -0.71 0.03 0.00 -0.36 0.00 0.00 55.97 55.39 1shh s LYS 60 Cb -0.22 -2.72 0.20 0.00 -1.51 0.00 0.00 37.83 33.58 1shh s LYS 60 CO 0.79 -0.02 0.85 -1.71 -0.36 0.00 0.00 175.35 174.89 1shh n ASN 60 N 4.20 -2.89 -4.81 1.43 5.15 -1.21 -0.50 115.26 116.63 1shh n ASN 60 Ca -0.19 -2.46 -0.34 0.00 -0.60 0.00 0.00 54.58 50.99 1shh n ASN 60 Cb 0.51 1.50 -0.06 0.00 -0.53 0.00 0.00 39.78 41.20 1shh n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1shh s PHE 60 N 0.86 3.28 0.39 1.20 0.08 -0.40 -5.02 117.98 118.37 1shh s PHE 60 Ca 0.29 1.62 0.08 0.00 0.12 0.00 0.00 56.93 59.03 1shh s PHE 60 Cb 0.06 -2.90 -0.04 0.00 -0.57 0.00 0.00 43.02 39.56 1shh s PHE 60 CO -0.08 -0.23 0.21 0.95 -0.10 0.00 0.00 175.22 175.97 1shh s THR 60 N -2.08 2.62 0.28 0.64 -4.23 -1.26 -4.93 115.64 106.67 1shh s THR 60 Ca 0.62 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 1shh s THR 60 Cb -0.11 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 71.00 1shh s THR 60 CO 0.16 -0.06 1.79 -0.33 -0.54 0.00 0.00 174.62 175.63 1shh h GLU 61 N 1.38 0.74 0.00 3.99 3.07 -1.92 -2.01 114.58 119.82 1shh h GLU 61 Ca -0.43 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1shh h GLU 61 Cb 1.26 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1shh h GLU 61 CO 0.65 0.49 0.00 0.09 -1.40 0.00 0.00 179.01 178.84 1shh n ASN 62 N -4.78 0.08 0.04 1.42 4.13 -1.26 -2.76 115.26 112.13 1shh n ASN 62 Ca 0.19 0.52 0.12 0.00 1.68 0.00 0.00 54.58 57.09 1shh n ASN 62 Cb 0.45 -0.53 0.26 0.00 -1.54 0.00 0.00 39.78 38.42 1shh n ASN 62 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1shh n ASP 63 N -1.58 0.57 -4.51 6.41 8.00 -0.76 -4.92 116.55 119.77 1shh n ASP 63 Ca 0.03 0.08 -0.25 0.00 0.71 0.00 0.00 54.79 55.37 1shh n ASP 63 Cb 0.18 0.05 -0.10 0.00 -0.02 0.00 0.00 41.12 41.22 1shh n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1shh s LEU 64 N -3.75 2.42 0.15 0.64 1.43 -1.11 -0.49 118.68 117.96 1shh s LEU 64 Ca 0.09 -1.42 -0.18 0.00 -1.03 0.00 0.00 54.13 51.59 1shh s LEU 64 Cb 0.15 -0.57 0.04 0.00 0.03 0.00 0.00 46.19 45.85 1shh s LEU 64 CO 0.69 -0.60 0.47 -0.22 0.23 0.00 0.00 176.35 176.92 1shh s LEU 65 N -3.60 0.12 0.08 1.79 0.20 -0.50 -4.48 118.68 112.28 1shh s LEU 65 Ca 0.33 -0.29 0.07 0.00 0.69 0.00 0.00 54.13 54.92 1shh s LEU 65 Cb 0.08 2.07 -0.03 0.00 -0.43 0.00 0.00 46.19 47.88 1shh s LEU 65 CO 0.15 -0.93 -0.18 0.68 -0.29 0.00 0.00 176.35 175.79 1shh s VAL 66 N -3.81 1.46 -0.13 1.68 -7.23 -0.53 -0.62 120.40 111.21 1shh s VAL 66 Ca 0.04 -1.38 0.01 0.00 -1.81 0.00 0.00 61.98 58.84 1shh s VAL 66 Cb 0.01 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.60 1shh s VAL 66 CO -0.10 -0.08 -0.17 -0.13 -0.31 0.00 0.00 175.10 174.31 1shh s ARG 67 N -1.71 3.24 0.07 4.82 0.52 -0.50 -0.14 118.95 125.26 1shh s ARG 67 Ca 0.03 -0.76 0.09 0.00 -0.52 0.00 0.00 55.73 54.58 1shh s ARG 67 Cb -0.10 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.80 1shh s ARG 67 CO 0.03 0.13 -0.25 0.42 0.02 0.00 0.00 175.30 175.65 1shh s ILE 68 N 0.52 2.07 -0.16 1.52 1.09 0.85 -1.02 121.20 126.07 1shh s ILE 68 Ca -0.11 -1.48 0.00 0.00 -1.10 0.00 0.00 60.65 57.96 1shh s ILE 68 Cb -0.16 -1.80 0.00 0.00 -1.06 0.00 0.00 42.46 39.44 1shh s ILE 68 CO 0.04 0.23 0.00 0.61 -0.10 0.00 0.00 174.94 175.73 1shh n GLY 69 N 1.49 0.47 3.87 6.18 0.00 -1.25 -0.61 105.19 115.33 1shh n GLY 69 Ca -0.17 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 1shh n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shh s LYS 70 N -2.45 3.79 0.04 1.61 1.02 -1.26 -4.08 119.74 118.41 1shh s LYS 70 Ca 0.00 0.21 -0.00 0.00 0.02 0.00 0.00 55.97 56.20 1shh s LYS 70 Cb 0.00 -2.87 -0.00 0.00 -0.52 0.00 0.00 37.83 34.44 1shh s LYS 70 CO 0.00 0.47 -0.00 1.58 -0.92 0.00 0.00 175.35 176.47 1shh n HIS 71 N 0.48 0.00 -5.22 3.18 -0.00 -1.26 -4.93 115.22 107.46 1shh n HIS 71 Ca -0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.36 1shh n HIS 71 Cb 0.52 -0.01 -0.16 0.00 -0.00 0.00 0.00 29.99 30.35 1shh n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1shh s SER 72 N -5.46 3.21 0.36 0.26 0.15 -1.26 -1.51 113.70 109.46 1shh s SER 72 Ca -0.00 -0.44 0.23 0.00 0.70 0.00 0.00 55.95 56.44 1shh s SER 72 Cb 0.00 -0.62 0.32 0.00 -1.71 0.00 0.00 66.02 64.00 1shh s SER 72 CO 0.00 0.29 1.50 0.03 1.20 0.00 0.00 173.24 176.27 1shh h ARG 73 N 5.71 0.00 -1.00 5.44 3.08 -0.60 -3.30 114.38 123.70 1shh h ARG 73 Ca -0.39 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.31 1shh h ARG 73 Cb 1.15 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 30.99 1shh h ARG 73 CO 0.48 0.00 0.45 0.25 -1.07 0.00 0.00 179.97 180.08 1shh n THR 74 N -2.90 2.51 -3.65 2.04 -2.24 -1.26 -4.81 114.28 103.97 1shh n THR 74 Ca 0.03 -1.32 -0.11 0.00 -2.27 0.00 0.00 64.05 60.39 1shh n THR 74 Cb 0.52 -0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 68.03 1shh n THR 74 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1shh s ARG 75 N -2.25 0.70 -0.40 -0.78 3.52 -1.24 -5.11 118.95 113.39 1shh s ARG 75 Ca 0.39 1.02 -0.22 0.00 -0.13 0.00 0.00 55.73 56.78 1shh s ARG 75 Cb 0.33 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.97 1shh s ARG 75 CO 0.07 -0.12 0.75 -0.47 -0.81 0.00 0.00 175.30 174.72 1shh s TYR 76 N 0.96 3.07 -1.35 5.12 5.04 -1.26 -4.81 117.35 124.12 1shh s TYR 76 Ca -0.05 0.35 -0.12 0.00 -2.44 0.00 0.00 57.07 54.82 1shh s TYR 76 Cb -0.05 -3.44 0.12 0.00 0.35 0.00 0.00 41.96 38.93 1shh s TYR 76 CO -0.09 -0.81 1.99 0.39 -1.34 0.00 0.00 175.55 175.69 1shh n GLU 77 N 6.45 3.31 -1.60 4.97 1.02 -1.26 -4.97 120.64 128.55 1shh n GLU 77 Ca 0.02 -3.19 -0.52 0.00 -0.02 0.00 0.00 57.16 53.45 1shh n GLU 77 Cb 0.48 -3.08 -0.06 0.00 -0.02 0.00 0.00 31.44 28.76 1shh n GLU 77 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1shh n ALA 77 N 4.92 -0.75 -1.43 0.62 0.00 -1.26 -1.39 120.51 121.22 1shh n ALA 77 Ca 0.44 0.50 -0.15 0.00 0.00 0.00 0.00 53.44 54.24 1shh n ALA 77 Cb 0.38 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.66 1shh n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1shh n ASN 78 N 2.78 -5.53 0.05 0.00 3.02 -1.26 -4.72 115.26 109.61 1shh n ASN 78 Ca 0.19 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 55.10 1shh n ASN 78 Cb 0.19 -4.33 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 1shh n ASN 78 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1shh n ILE 79 N -2.32 1.17 -2.36 2.41 2.08 -0.64 -5.03 119.36 114.68 1shh n ILE 79 Ca -0.15 0.39 -0.35 0.00 0.56 0.00 0.00 62.75 63.20 1shh n ILE 79 Cb 0.61 -1.56 -0.01 0.00 -0.75 0.00 0.00 39.64 37.93 1shh n ILE 79 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 1shh s GLU 80 N -2.00 3.58 -0.01 0.38 -1.05 -0.48 -4.75 118.70 114.37 1shh s GLU 80 Ca 0.00 1.56 0.02 0.00 -0.15 0.00 0.00 54.97 56.40 1shh s GLU 80 Cb 0.00 -2.11 -0.00 0.00 -0.44 0.00 0.00 34.13 31.57 1shh s GLU 80 CO 0.00 -0.65 -0.06 0.15 0.95 0.00 0.00 175.26 175.65 1shh s LYS 81 N -3.14 0.54 -0.10 -4.83 3.01 0.22 -4.90 119.74 110.53 1shh s LYS 81 Ca 0.69 -0.23 -0.04 0.00 -1.01 0.00 0.00 55.97 55.38 1shh s LYS 81 Cb -0.22 -0.52 -0.04 0.00 -1.01 0.00 0.00 37.83 36.04 1shh s LYS 81 CO 0.26 0.13 0.08 0.42 0.51 0.00 0.00 175.35 176.75 1shh s ILE 82 N -0.12 4.93 0.02 2.17 1.01 -1.26 -0.10 121.20 127.86 1shh s ILE 82 Ca 0.02 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.67 1shh s ILE 82 Cb -0.03 -3.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1shh s ILE 82 CO -0.00 0.60 -0.09 -0.44 0.00 0.00 0.00 174.94 175.00 1shh s SER 83 N -1.00 1.08 0.31 3.58 0.01 0.80 -4.98 113.70 113.50 1shh s SER 83 Ca 0.15 -0.34 -0.01 0.00 1.31 0.00 0.00 55.95 57.05 1shh s SER 83 Cb -0.12 -0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 1shh s SER 83 CO 0.04 -0.01 0.52 -0.04 0.41 0.00 0.00 173.24 174.16 1shh s MET 84 N -0.85 3.53 -0.15 12.44 -1.94 -1.26 -1.46 119.30 129.62 1shh s MET 84 Ca -0.01 -0.25 -0.08 0.00 -1.71 0.00 0.00 55.69 53.64 1shh s MET 84 Cb -0.06 -2.69 -0.04 0.00 2.01 0.00 0.00 34.83 34.04 1shh s MET 84 CO 0.00 0.21 0.15 -0.51 -0.01 0.00 0.00 175.02 174.86 1shh s LEU 85 N -3.94 4.33 -0.13 -0.03 1.43 -1.26 -1.57 118.68 117.51 1shh s LEU 85 Ca 0.41 0.40 -0.16 0.00 -1.03 0.00 0.00 54.13 53.75 1shh s LEU 85 Cb -0.10 -2.10 -0.25 0.00 0.03 0.00 0.00 46.19 43.77 1shh s LEU 85 CO 0.33 0.32 0.46 -0.08 0.23 0.00 0.00 176.35 177.61 1shh h GLU 86 N 5.58 0.19 -2.07 1.70 4.81 -0.69 -3.43 114.58 120.67 1shh h GLU 86 Ca -0.50 -0.32 -0.05 0.00 -0.13 0.00 0.00 59.36 58.35 1shh h GLU 86 Cb 1.20 0.12 -0.20 0.00 0.63 0.00 0.00 28.75 30.50 1shh h GLU 86 CO 0.65 1.16 0.12 0.21 -0.73 0.00 0.00 179.01 180.41 1shh s LYS 87 N -2.46 0.89 -0.08 1.92 2.47 -1.18 -4.95 119.74 116.35 1shh s LYS 87 Ca -0.22 0.68 -0.01 0.00 -1.56 0.00 0.00 55.97 54.86 1shh s LYS 87 Cb 0.05 0.43 -0.03 0.00 -1.46 0.00 0.00 37.83 36.81 1shh s LYS 87 CO 0.73 -0.18 -0.03 0.42 0.16 0.00 0.00 175.35 176.45 1shh s ILE 88 N -0.22 4.08 -0.13 5.43 1.01 -1.26 -0.79 121.20 129.31 1shh s ILE 88 Ca -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1shh s ILE 88 Cb -0.03 -2.70 0.04 0.00 0.01 0.00 0.00 42.46 39.78 1shh s ILE 88 CO 0.04 0.60 -0.02 -0.31 0.00 0.00 0.00 174.94 175.25 1shh s TYR 89 N -0.84 1.18 -0.06 3.97 1.51 0.23 -5.00 117.35 118.35 1shh s TYR 89 Ca 0.13 -0.69 -0.03 0.00 -1.01 0.00 0.00 57.07 55.47 1shh s TYR 89 Cb -0.11 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1shh s TYR 89 CO 0.02 -0.51 0.10 0.42 -1.11 0.00 0.00 175.55 174.48 1shh s ILE 90 N 1.80 5.04 0.25 2.71 1.01 -1.26 -0.43 121.20 130.32 1shh s ILE 90 Ca 0.02 -0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.24 1shh s ILE 90 Cb -0.14 -3.24 -0.12 0.00 0.01 0.00 0.00 42.46 38.96 1shh s ILE 90 CO -0.07 0.49 1.63 1.57 0.00 0.00 0.00 174.94 178.55 1shh n HIS 91 N 1.60 2.73 0.30 3.97 -0.00 -1.06 -4.85 115.22 117.90 1shh n HIS 91 Ca -0.16 0.19 0.17 0.00 -0.00 0.00 0.00 57.72 57.92 1shh n HIS 91 Cb 0.54 -2.61 0.93 0.00 -0.00 0.00 0.00 29.99 28.84 1shh n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1shh h PRO 92 N 5.53 0.00 -0.36 1.57 0.13 -1.95 -2.38 132.00 134.53 1shh h PRO 92 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1shh h PRO 92 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1shh h PRO 92 CO 0.86 0.04 0.02 0.54 -0.23 0.00 0.00 178.00 179.22 1shh n ARG 93 N -3.47 3.27 -1.72 0.86 1.74 -1.26 -4.98 116.66 111.10 1shh n ARG 93 Ca -0.02 -2.95 -0.42 0.00 -0.77 0.00 0.00 57.85 53.69 1shh n ARG 93 Cb 0.15 -1.95 -0.03 0.00 -1.02 0.00 0.00 32.46 29.61 1shh n ARG 93 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1shh s TYR 94 N -2.87 1.69 -1.16 -1.55 5.04 -0.90 -4.73 117.35 112.87 1shh s TYR 94 Ca 0.46 -0.23 -0.10 0.00 -2.44 0.00 0.00 57.07 54.76 1shh s TYR 94 Cb 0.37 -4.19 0.24 0.00 0.35 0.00 0.00 41.96 38.72 1shh s TYR 94 CO 0.10 -5.15 1.31 -1.71 -1.34 0.00 0.00 175.55 168.76 1shh n ASN 95 N 6.72 5.46 0.24 4.32 2.85 0.10 -4.81 115.26 130.14 1shh n ASN 95 Ca 0.19 -3.05 0.14 0.00 -0.11 0.00 0.00 54.58 51.75 1shh n ASN 95 Cb 0.40 -1.45 0.43 0.00 1.24 0.00 0.00 39.78 40.40 1shh n ASN 95 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1shh h TRP 96 N 6.69 0.00 0.00 1.20 5.08 -1.91 0.18 115.95 127.19 1shh h TRP 96 Ca 0.24 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.15 1shh h TRP 96 Cb 0.84 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.99 1shh h TRP 96 CO 0.93 0.00 -0.33 0.00 -1.28 0.00 0.00 178.44 177.76 1shh h ARG 97 N 0.00 0.00 0.00 0.12 3.08 -2.00 -3.44 114.38 112.15 1shh h ARG 97 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1shh h ARG 97 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1shh h ARG 97 CO 0.00 0.33 0.00 -1.91 -1.07 0.00 0.00 179.97 177.32 1shh n GLU 97 N -3.32 0.00 -0.20 0.04 2.13 -1.22 -5.02 120.64 113.05 1shh n GLU 97 Ca 0.01 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.84 1shh n GLU 97 Cb 0.56 -0.22 0.01 0.00 0.27 0.00 0.00 31.44 32.07 1shh n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1shh n ASN 98 N -2.97 0.44 -1.85 4.31 6.94 -1.21 -4.96 115.26 115.95 1shh n ASN 98 Ca 0.00 -1.70 -0.18 0.00 -0.02 0.00 0.00 54.58 52.68 1shh n ASN 98 Cb 0.00 -0.12 -0.03 0.00 -2.36 0.00 0.00 39.78 37.27 1shh n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1shh n LEU 99 N -0.19 -1.67 -4.76 -4.53 4.32 0.05 -4.94 117.00 105.28 1shh n LEU 99 Ca 0.02 0.13 -0.41 0.00 -0.02 0.00 0.00 56.01 55.72 1shh n LEU 99 Cb 0.57 -2.59 -0.01 0.00 -1.62 0.00 0.00 43.42 39.76 1shh n LEU 99 CO 0.00 -0.43 1.19 -0.67 -1.22 0.00 0.00 177.39 176.26 1shh n ASP 100 N -1.29 3.82 -3.50 -1.43 2.03 -1.24 -2.30 116.55 112.65 1shh n ASP 100 Ca -0.20 1.19 -0.19 0.00 0.52 0.00 0.00 54.79 56.11 1shh n ASP 100 Cb 0.64 -1.61 0.08 0.00 -0.72 0.00 0.00 41.12 39.52 1shh n ASP 100 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1shh n ARG 101 N 1.27 -6.68 -2.50 -0.67 1.74 -1.26 -0.72 116.66 107.84 1shh n ARG 101 Ca 0.05 0.82 -0.40 0.00 -0.77 0.00 0.00 57.85 57.54 1shh n ARG 101 Cb 0.38 -5.80 -0.01 0.00 -1.02 0.00 0.00 32.46 26.01 1shh n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1shh s ASP 102 N -4.15 6.51 -0.07 0.55 2.15 -0.97 -4.36 116.67 116.33 1shh s ASP 102 Ca 0.12 -2.11 -0.17 0.00 0.43 0.00 0.00 52.55 50.82 1shh s ASP 102 Cb -0.05 -2.58 0.04 0.00 -0.30 0.00 0.00 42.92 40.02 1shh s ASP 102 CO 0.74 -1.51 0.41 -0.51 -0.17 0.00 0.00 175.17 174.13 1shh s ILE 103 N 5.35 0.03 0.00 4.11 2.07 -1.26 -3.84 121.20 127.66 1shh s ILE 103 Ca 0.55 -0.25 -0.20 0.00 -1.41 0.00 0.00 60.65 59.33 1shh s ILE 103 Cb 0.02 -0.67 0.04 0.00 0.13 0.00 0.00 42.46 41.98 1shh s ILE 103 CO 0.05 -0.14 0.45 0.00 -1.91 0.00 0.00 174.94 173.39 1shh s ALA 104 N -0.81 -1.13 0.10 1.50 0.00 -0.54 -2.57 121.76 118.31 1shh s ALA 104 Ca -0.09 0.56 0.09 0.00 0.00 0.00 0.00 51.96 52.53 1shh s ALA 104 Cb -0.04 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1shh s ALA 104 CO 0.04 -0.38 -0.21 -0.51 0.00 0.00 0.00 175.76 174.70 1shh s LEU 105 N -1.60 2.53 -0.06 0.00 1.43 0.42 -1.31 118.68 120.10 1shh s LEU 105 Ca -0.09 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1shh s LEU 105 Cb -0.02 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1shh s LEU 105 CO 0.03 0.20 -0.06 -0.04 0.23 0.00 0.00 176.35 176.71 1shh s MET 106 N -1.89 1.07 -0.14 1.70 -1.94 -0.01 -0.60 119.30 117.49 1shh s MET 106 Ca 0.16 -0.17 -0.13 0.00 -1.71 0.00 0.00 55.69 53.84 1shh s MET 106 Cb -0.10 -1.04 -0.05 0.00 2.01 0.00 0.00 34.83 35.65 1shh s MET 106 CO 0.07 -0.09 0.27 0.21 -0.01 0.00 0.00 175.02 175.47 1shh s LYS 107 N 1.01 4.12 0.35 2.03 2.20 0.03 -1.26 119.74 128.23 1shh s LYS 107 Ca -0.09 0.06 -0.25 0.00 -0.36 0.00 0.00 55.97 55.33 1shh s LYS 107 Cb -0.14 -3.38 -0.10 0.00 -1.51 0.00 0.00 37.83 32.70 1shh s LYS 107 CO -0.00 0.35 0.95 -0.51 -0.36 0.00 0.00 175.35 175.78 1shh s LEU 108 N 0.14 4.23 0.24 5.43 1.43 0.41 -0.05 118.68 130.51 1shh s LEU 108 Ca 0.16 1.81 -0.06 0.00 -1.03 0.00 0.00 54.13 55.01 1shh s LEU 108 Cb -0.13 -4.15 0.25 0.00 0.03 0.00 0.00 46.19 42.18 1shh s LEU 108 CO 0.04 -0.17 1.92 0.11 0.23 0.00 0.00 176.35 178.48 1shh h LYS 109 N 2.82 1.30 -5.09 1.70 1.57 -1.56 -3.41 116.57 113.90 1shh h LYS 109 Ca -0.47 -0.09 -0.39 0.00 -1.87 0.00 0.00 60.65 57.83 1shh h LYS 109 Cb 1.19 -0.29 -0.23 0.00 0.08 0.00 0.00 32.23 32.98 1shh h LYS 109 CO 0.64 0.87 -0.77 0.15 -0.57 0.00 0.00 179.45 179.76 1shh s LYS 110 N -6.08 0.78 0.52 3.15 1.02 -1.26 -4.96 119.74 112.91 1shh s LYS 110 Ca -0.13 -0.76 -0.22 0.00 0.02 0.00 0.00 55.97 54.88 1shh s LYS 110 Cb 0.18 -0.73 -0.06 0.00 -0.52 0.00 0.00 37.83 36.70 1shh s LYS 110 CO 0.82 0.17 1.25 -1.25 -0.92 0.00 0.00 175.35 175.42 1shh s PRO 111 N -1.30 3.35 0.07 -1.68 0.04 -1.26 -4.88 135.00 129.34 1shh s PRO 111 Ca -0.02 1.97 -0.06 0.00 0.04 0.00 0.00 61.00 62.93 1shh s PRO 111 Cb -0.08 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 1shh s PRO 111 CO 0.01 -0.95 0.33 0.54 0.04 0.00 0.00 177.00 176.98 1shh s VAL 112 N -1.45 5.21 -0.01 -0.36 0.11 0.24 -5.01 120.40 119.12 1shh s VAL 112 Ca 0.70 0.15 -0.24 0.00 -2.93 0.00 0.00 61.98 59.66 1shh s VAL 112 Cb -0.34 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 30.86 1shh s VAL 112 CO 0.40 0.23 0.72 0.00 -3.33 0.00 0.00 175.10 173.11 1shh s ALA 113 N -1.45 3.37 0.74 1.54 0.00 -1.26 -4.78 121.76 119.91 1shh s ALA 113 Ca 0.34 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 1shh s ALA 113 Cb -0.13 -2.95 0.03 0.00 0.00 0.00 0.00 23.12 20.07 1shh s ALA 113 CO 0.20 -0.00 1.07 -0.06 0.00 0.00 0.00 175.76 176.97 1shh s PHE 114 N 0.33 2.92 0.07 0.00 0.08 -1.26 -4.87 117.98 115.25 1shh s PHE 114 Ca 0.37 1.40 -0.03 0.00 0.12 0.00 0.00 56.93 58.79 1shh s PHE 114 Cb -0.19 -2.97 0.01 0.00 -0.57 0.00 0.00 43.02 39.31 1shh s PHE 114 CO 0.20 -1.49 0.16 -1.13 -0.10 0.00 0.00 175.22 172.86 1shh n SER 115 N -3.30 -0.44 0.30 1.36 3.41 0.01 -4.92 113.62 110.04 1shh n SER 115 Ca 0.08 -1.29 0.19 0.00 -0.26 0.00 0.00 58.87 57.59 1shh n SER 115 Cb 0.54 0.72 0.90 0.00 -0.26 0.00 0.00 64.21 66.11 1shh n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1shh h ASP 116 N 0.38 0.00 -0.01 4.04 3.32 -2.00 -2.95 116.42 119.20 1shh h ASP 116 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1shh h ASP 116 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1shh h ASP 116 CO 0.08 0.00 -0.20 -1.22 -1.72 0.00 0.00 179.24 176.18 1shh n TYR 117 N -3.10 0.00 -3.73 4.55 4.01 -1.26 -4.86 117.16 112.77 1shh n TYR 117 Ca -0.01 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.48 1shh n TYR 117 Cb 0.21 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 39.07 1shh n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1shh s ILE 118 N -1.45 0.38 -0.23 -0.72 1.09 -1.12 -4.23 121.20 114.92 1shh s ILE 118 Ca 0.11 -0.23 -0.25 0.00 -1.10 0.00 0.00 60.65 59.18 1shh s ILE 118 Cb 0.10 -0.77 0.07 0.00 -1.06 0.00 0.00 42.46 40.79 1shh s ILE 118 CO 0.28 -0.03 0.69 -2.28 -0.10 0.00 0.00 174.94 173.49 1shh s HIS 119 N 1.94 -0.74 0.48 3.97 2.46 -0.73 -0.81 115.29 121.86 1shh s HIS 119 Ca 0.02 1.74 -0.20 0.00 0.47 0.00 0.00 55.06 57.09 1shh s HIS 119 Cb -0.15 0.28 -0.09 0.00 -0.13 0.00 0.00 32.58 32.49 1shh s HIS 119 CO -0.07 -0.40 1.01 -1.25 -2.47 0.00 0.00 174.74 171.56 1shh s PRO 120 N 0.14 3.89 0.39 2.88 0.04 -1.26 -2.41 135.00 138.66 1shh s PRO 120 Ca -0.02 1.24 -0.03 0.00 0.04 0.00 0.00 61.00 62.23 1shh s PRO 120 Cb -0.04 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1shh s PRO 120 CO 0.02 -0.34 0.64 0.54 0.04 0.00 0.00 177.00 177.90 1shh s VAL 121 N -2.15 5.01 0.34 -0.36 0.11 -0.74 -4.92 120.40 117.70 1shh s VAL 121 Ca 0.65 -0.12 -0.12 0.00 -2.93 0.00 0.00 61.98 59.46 1shh s VAL 121 Cb -0.14 -3.84 -0.08 0.00 -1.53 0.00 0.00 36.38 30.80 1shh s VAL 121 CO 0.21 -0.62 0.71 0.00 -3.33 0.00 0.00 175.10 172.06 1shh s LEU 123 N -3.29 4.37 0.56 0.00 1.43 -1.26 -0.84 118.68 119.64 1shh s LEU 123 Ca 0.52 0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 53.82 1shh s LEU 123 Cb -0.10 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.44 1shh s LEU 123 CO 0.23 0.26 1.10 -2.16 0.23 0.00 0.00 176.35 176.01 1shh s PRO 124 N -1.89 3.36 0.48 1.29 0.04 -1.26 -4.89 135.00 132.13 1shh s PRO 124 Ca 0.27 1.46 0.02 0.00 0.04 0.00 0.00 61.00 62.80 1shh s PRO 124 Cb -0.13 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1shh s PRO 124 CO 0.18 -0.81 0.19 -0.40 0.04 0.00 0.00 177.00 176.19 1shh n ASP 125 N -1.50 2.94 -0.15 6.66 3.85 -1.26 -4.84 116.55 122.25 1shh n ASP 125 Ca 0.10 -2.87 -0.03 0.00 -0.71 0.00 0.00 54.79 51.28 1shh n ASP 125 Cb 0.52 0.14 0.06 0.00 -1.35 0.00 0.00 41.12 40.49 1shh n ASP 125 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.20 176.10 1shh h ARG 126 N 0.00 0.17 -0.75 0.11 2.43 -1.97 -2.19 114.38 112.19 1shh h ARG 126 Ca -0.35 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.78 1shh h ARG 126 Cb 1.16 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1shh h ARG 126 CO 0.57 0.11 0.37 1.49 -1.51 0.00 0.00 179.97 181.00 1shh h GLU 127 N 0.18 1.07 -1.02 0.20 4.57 -2.03 -1.03 114.58 116.51 1shh h GLU 127 Ca 0.24 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1shh h GLU 127 Cb 0.33 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1shh h GLU 127 CO -0.35 0.82 0.00 2.41 -1.18 0.00 0.00 179.01 180.72 1shh n THR 128 N -4.41 0.15 0.00 0.32 -1.04 -0.82 -1.54 114.28 106.93 1shh n THR 128 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1shh n THR 128 Cb 0.12 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.23 1shh n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1shh n ALA 129 N 0.62 0.00 0.06 2.41 0.00 -0.39 -1.06 120.51 122.15 1shh n ALA 129 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1shh n ALA 129 Cb 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.41 1shh n ALA 129 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1shh h SER 129 N 0.00 0.40 0.13 0.00 4.64 -1.54 -3.41 113.55 113.77 1shh h SER 129 Ca 0.00 -0.57 -0.35 0.00 -0.47 0.00 0.00 61.79 60.40 1shh h SER 129 Cb 0.00 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 61.90 1shh h SER 129 CO 0.00 1.47 -2.21 0.18 -0.87 0.00 0.00 176.83 175.40 1shh n LEU 129 N -3.46 0.93 -4.45 5.97 4.77 -0.22 -4.70 117.00 115.84 1shh n LEU 129 Ca -0.17 0.09 -0.43 0.00 -0.03 0.00 0.00 56.01 55.47 1shh n LEU 129 Cb 1.05 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 42.19 1shh n LEU 129 CO 0.50 0.58 1.95 -0.11 -1.33 0.00 0.00 177.39 178.98 1shh n LEU 130 N -2.97 5.25 -3.99 2.23 7.94 -1.26 -4.88 117.00 119.33 1shh n LEU 130 Ca -0.31 -4.07 -0.15 0.00 -1.11 0.00 0.00 56.01 50.37 1shh n LEU 130 Cb 1.10 -1.71 -0.14 0.00 0.53 0.00 0.00 43.42 43.20 1shh n LEU 130 CO 0.41 0.40 -0.40 -1.10 -1.11 0.00 0.00 177.39 175.58 1shh s GLN 131 N 3.51 0.46 0.28 1.96 -1.52 -1.26 -4.93 119.66 118.16 1shh s GLN 131 Ca 0.51 -0.34 -0.30 0.00 -1.95 0.00 0.00 55.36 53.28 1shh s GLN 131 Cb 0.04 -0.39 -0.12 0.00 -0.22 0.00 0.00 33.01 32.32 1shh s GLN 131 CO 0.05 0.10 1.50 0.00 -0.25 0.00 0.00 175.29 176.69 1shh n ALA 132 N 2.56 1.94 0.00 6.09 0.00 -1.26 -1.93 120.51 127.91 1shh n ALA 132 Ca -0.15 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1shh n ALA 132 Cb 0.57 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1shh n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shh n GLY 133 N 1.96 3.06 3.78 0.00 0.00 0.47 -4.95 105.19 109.50 1shh n GLY 133 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1shh n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1shh s TYR 134 N -2.81 3.28 -0.02 1.61 1.51 -0.81 -4.64 117.35 115.47 1shh s TYR 134 Ca 0.00 1.64 -0.02 0.00 -1.01 0.00 0.00 57.07 57.68 1shh s TYR 134 Cb 0.00 -3.19 -0.04 0.00 -0.11 0.00 0.00 41.96 38.62 1shh s TYR 134 CO 0.00 -0.72 0.14 0.15 -1.11 0.00 0.00 175.55 174.01 1shh s LYS 135 N -2.32 3.28 0.47 -0.62 1.02 -1.26 -0.55 119.74 119.76 1shh s LYS 135 Ca 0.56 -0.37 0.02 0.00 0.02 0.00 0.00 55.97 56.20 1shh s LYS 135 Cb -0.25 -3.01 -0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1shh s LYS 135 CO 0.31 0.67 0.07 0.20 -0.92 0.00 0.00 175.35 175.68 1shh s GLY 136 N -1.76 2.88 -0.04 -3.33 0.00 -0.19 -4.85 107.32 100.03 1shh s GLY 136 Ca 0.24 -0.68 0.05 0.00 0.00 0.00 0.00 44.72 44.32 1shh s GLY 136 CO 0.15 -2.02 -0.18 -1.60 0.00 0.00 0.00 173.10 169.46 1shh s ARG 137 N -3.78 1.75 -0.01 2.90 3.52 0.54 -0.28 118.95 123.59 1shh s ARG 137 Ca 0.13 -0.62 0.07 0.00 -0.13 0.00 0.00 55.73 55.18 1shh s ARG 137 Cb 0.01 -1.55 -0.02 0.00 -1.56 0.00 0.00 34.95 31.83 1shh s ARG 137 CO 0.08 0.27 -0.24 0.08 -0.81 0.00 0.00 175.30 174.69 1shh s VAL 138 N -0.05 2.28 0.05 7.11 1.01 -0.34 -0.21 120.40 130.26 1shh s VAL 138 Ca -0.02 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 60.90 1shh s VAL 138 Cb -0.11 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 1shh s VAL 138 CO 0.02 0.54 -0.09 0.42 0.00 0.00 0.00 175.10 175.98 1shh s THR 139 N -0.68 0.66 0.00 3.92 -4.23 -1.24 -1.60 115.64 112.47 1shh s THR 139 Ca 0.11 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1shh s THR 139 Cb -0.10 -0.70 0.00 0.00 1.34 0.00 0.00 72.50 73.04 1shh s THR 139 CO 0.00 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 1shh n GLY 140 N 1.44 0.70 0.96 3.99 0.00 -0.74 -4.54 105.19 107.00 1shh n GLY 140 Ca -0.22 -0.88 0.08 0.00 0.00 0.00 0.00 46.02 44.99 1shh n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1shh n TRP 141 N -0.22 0.97 -1.15 1.61 8.01 -1.26 -2.01 117.44 123.38 1shh n TRP 141 Ca 0.00 -0.77 -0.22 0.00 -1.31 0.00 0.00 57.50 55.20 1shh n TRP 141 Cb 0.00 -0.27 0.18 0.00 -2.01 0.00 0.00 31.31 29.21 1shh n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1shh n GLY 142 N -0.10 -2.29 3.67 6.99 0.00 -1.26 -4.49 105.19 107.72 1shh n GLY 142 Ca 0.20 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 1shh n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1shh n ASN 143 N -4.15 2.29 0.01 1.61 3.02 -0.19 -3.13 115.26 114.71 1shh n ASN 143 Ca 0.12 1.14 0.13 0.00 -0.03 0.00 0.00 54.58 55.93 1shh n ASN 143 Cb 0.43 -1.45 0.44 0.00 -0.61 0.00 0.00 39.78 38.60 1shh n ASN 143 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1shh n LEU 144 N 0.54 0.26 -3.55 3.41 4.77 -0.21 -0.37 117.00 121.85 1shh n LEU 144 Ca 0.07 0.29 -0.11 0.00 -0.03 0.00 0.00 56.01 56.23 1shh n LEU 144 Cb 0.38 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1shh n LEU 144 CO 0.60 0.04 0.37 -1.59 -1.33 0.00 0.00 177.39 175.48 1shh s LYS 145 N -3.01 1.36 -0.07 3.23 -2.85 -1.26 -4.33 119.74 112.81 1shh s LYS 145 Ca 0.12 -0.63 -0.30 0.00 -1.00 0.00 0.00 55.97 54.17 1shh s LYS 145 Cb 0.18 0.57 -0.06 0.00 -2.06 0.00 0.00 37.83 36.47 1shh s LYS 145 CO 0.61 -0.59 1.72 -2.00 0.10 0.00 0.00 175.35 175.19 1shh s GLU 146 N -3.80 4.07 0.14 1.78 2.12 -1.26 -4.94 118.70 116.81 1shh s GLU 146 Ca 0.04 2.17 -0.24 0.00 0.36 0.00 0.00 54.97 57.30 1shh s GLU 146 Cb -0.02 -4.04 0.07 0.00 0.26 0.00 0.00 34.13 30.41 1shh s GLU 146 CO -0.08 -0.99 0.61 -0.08 -0.54 0.00 0.00 175.26 174.18 1shh s THR 147 N 4.47 0.00 0.00 -1.70 -1.32 -1.26 -5.02 115.64 110.81 1shh s THR 147 Ca 0.77 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.25 1shh s THR 147 Cb -0.33 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.66 1shh s THR 147 CO 0.32 0.00 0.00 0.79 -2.21 0.00 0.00 174.62 173.52 1shh n TRP 148 N -0.26 0.00 0.00 9.09 8.01 -1.26 -5.06 117.44 127.96 1shh n TRP 148 Ca -0.17 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.02 1shh n TRP 148 Cb 0.64 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.94 1shh n TRP 148 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1shh n LYS 149 N 0.00 0.00 0.00 -0.99 5.02 -1.26 -5.29 118.16 115.64 1shh n LYS 149 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1shh n LYS 149 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1shh n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1shh n GLY 150 N 0.00 0.68 3.25 0.72 0.00 -1.26 -5.08 105.19 103.51 1shh n GLY 150 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1shh n GLY 150 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1shh s GLN 151 N -0.60 1.68 0.59 1.61 2.00 -1.26 -1.05 119.66 122.63 1shh s GLN 151 Ca 0.00 -0.85 -0.08 0.00 -2.00 0.00 0.00 55.36 52.42 1shh s GLN 151 Cb 0.00 -1.69 -0.02 0.00 0.80 0.00 0.00 33.01 32.10 1shh s GLN 151 CO 0.00 0.45 0.95 -1.25 -0.50 0.00 0.00 175.29 174.94 1shh s PRO 152 N -0.75 3.33 -0.15 1.67 0.04 -1.26 -4.99 135.00 132.89 1shh s PRO 152 Ca 0.09 0.40 -0.11 0.00 0.04 0.00 0.00 61.00 61.42 1shh s PRO 152 Cb -0.09 -2.19 -0.24 0.00 0.04 0.00 0.00 34.50 32.02 1shh s PRO 152 CO 0.00 -0.57 0.32 -1.13 0.04 0.00 0.00 177.00 175.66 1shh n SER 153 N -2.62 2.05 -4.86 6.66 3.41 -1.26 -4.83 113.62 112.17 1shh n SER 153 Ca 0.04 0.27 -0.36 0.00 -0.26 0.00 0.00 58.87 58.56 1shh n SER 153 Cb 0.56 -0.89 -0.06 0.00 -0.26 0.00 0.00 64.21 63.55 1shh n SER 153 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1shh s VAL 154 N -2.50 5.16 0.15 -3.33 1.01 -1.26 0.16 120.40 119.78 1shh s VAL 154 Ca -0.24 0.52 -0.34 0.00 0.00 0.00 0.00 61.98 61.92 1shh s VAL 154 Cb 0.06 -3.62 -0.15 0.00 0.00 0.00 0.00 36.38 32.67 1shh s VAL 154 CO 0.72 0.46 1.33 -0.11 0.00 0.00 0.00 175.10 177.50 1shh n LEU 155 N 1.45 2.04 -4.92 3.92 7.94 -0.57 -4.80 117.00 122.06 1shh n LEU 155 Ca -0.13 1.12 -0.31 0.00 -1.11 0.00 0.00 56.01 55.59 1shh n LEU 155 Cb 0.53 -1.27 -0.04 0.00 0.53 0.00 0.00 43.42 43.17 1shh n LEU 155 CO 0.39 -0.93 -0.14 -1.10 -1.11 0.00 0.00 177.39 174.50 1shh s GLN 156 N 0.17 3.45 0.01 1.96 -1.52 -0.85 -0.35 119.66 122.53 1shh s GLN 156 Ca 0.78 -0.43 0.02 0.00 -1.95 0.00 0.00 55.36 53.78 1shh s GLN 156 Cb -0.84 -3.03 -0.01 0.00 -0.22 0.00 0.00 33.01 28.91 1shh s GLN 156 CO 0.47 0.60 -0.06 0.54 -0.25 0.00 0.00 175.29 176.59 1shh s VAL 157 N -1.52 0.48 -0.12 1.09 0.11 0.06 -1.80 120.40 118.71 1shh s VAL 157 Ca 0.35 -0.50 -0.11 0.00 -2.93 0.00 0.00 61.98 58.79 1shh s VAL 157 Cb -0.13 -0.45 0.03 0.00 -1.53 0.00 0.00 36.38 34.30 1shh s VAL 157 CO 0.28 -0.03 0.32 0.54 -3.33 0.00 0.00 175.10 172.88 1shh s VAL 158 N -0.52 -0.00 -0.13 2.04 0.11 -0.63 -1.17 120.40 120.11 1shh s VAL 158 Ca -0.01 0.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.93 1shh s VAL 158 Cb -0.05 -0.45 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1shh s VAL 158 CO 0.00 0.00 0.24 0.20 -3.33 0.00 0.00 175.10 172.22 1shh s ASN 159 N 0.24 6.45 0.01 3.54 0.01 -1.26 -1.20 114.94 122.72 1shh s ASN 159 Ca -0.01 0.53 0.00 0.00 -0.71 0.00 0.00 52.86 52.67 1shh s ASN 159 Cb -0.03 -2.15 -0.01 0.00 0.41 0.00 0.00 41.25 39.48 1shh s ASN 159 CO -0.00 0.24 -0.01 -0.76 -1.51 0.00 0.00 177.10 175.05 1shh s LEU 160 N -0.23 2.11 0.16 0.60 1.43 0.62 -4.94 118.68 118.43 1shh s LEU 160 Ca 0.16 -0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 52.79 1shh s LEU 160 Cb -0.13 0.05 -0.08 0.00 0.03 0.00 0.00 46.19 46.06 1shh s LEU 160 CO 0.05 -0.14 0.74 -2.16 0.23 0.00 0.00 176.35 175.06 1shh s PRO 161 N -0.69 4.46 0.36 1.29 0.04 -1.26 -1.02 135.00 138.18 1shh s PRO 161 Ca -0.08 1.05 -0.27 0.00 0.04 0.00 0.00 61.00 61.74 1shh s PRO 161 Cb -0.05 -3.19 -0.09 0.00 0.04 0.00 0.00 34.50 31.21 1shh s PRO 161 CO -0.00 0.55 1.27 0.42 0.04 0.00 0.00 177.00 179.28 1shh s ILE 162 N -1.21 2.81 -0.02 0.56 1.01 0.29 -0.85 121.20 123.79 1shh s ILE 162 Ca 0.36 0.76 0.01 0.00 0.00 0.00 0.00 60.65 61.79 1shh s ILE 162 Cb -0.21 -3.47 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1shh s ILE 162 CO 0.24 0.15 -0.01 -0.69 0.00 0.00 0.00 174.94 174.63 1shh s VAL 163 N -1.22 4.09 0.29 2.92 1.01 -0.47 -0.40 120.40 126.62 1shh s VAL 163 Ca 0.52 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1shh s VAL 163 Cb -0.37 -2.80 -0.13 0.00 0.00 0.00 0.00 36.38 33.08 1shh s VAL 163 CO 0.49 0.42 1.33 -0.62 0.00 0.00 0.00 175.10 176.72 1shh n GLU 164 N 1.55 2.04 -0.27 2.72 4.71 -1.26 -4.60 120.64 125.53 1shh n GLU 164 Ca -0.15 0.72 0.03 0.00 -0.01 0.00 0.00 57.16 57.75 1shh n GLU 164 Cb 0.53 -2.33 0.17 0.00 -1.01 0.00 0.00 31.44 28.80 1shh n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1shh h ARG 165 N 3.33 0.65 -0.39 3.49 2.43 -1.98 -0.91 114.38 121.00 1shh h ARG 165 Ca -0.45 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1shh h ARG 165 Cb 1.28 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1shh h ARG 165 CO 0.69 0.43 0.22 -1.35 -1.51 0.00 0.00 179.97 178.44 1shh h PRO 166 N 0.67 0.53 -0.35 0.20 0.11 -1.99 0.16 132.00 131.32 1shh h PRO 166 Ca 0.39 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.31 1shh h PRO 166 Cb 0.43 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1shh h PRO 166 CO -0.28 0.39 -0.36 0.28 -0.21 0.00 0.00 178.00 177.81 1shh h VAL 167 N 0.54 1.28 -0.29 3.15 2.07 -1.58 -1.50 116.25 119.91 1shh h VAL 167 Ca 0.14 -1.54 0.00 0.00 0.82 0.00 0.00 66.70 66.13 1shh h VAL 167 Cb 0.01 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1shh h VAL 167 CO -0.02 0.51 0.19 0.00 0.02 0.00 0.00 177.57 178.27 1shh h LYS 169 N 0.40 0.92 0.00 0.00 3.64 -0.61 -2.77 116.57 118.15 1shh h LYS 169 Ca 0.11 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1shh h LYS 169 Cb -0.04 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1shh h LYS 169 CO -0.02 0.71 0.00 -0.25 -2.27 0.00 0.00 179.45 177.62 1shh n ASP 170 N -4.51 0.27 -0.03 4.20 8.00 -0.58 -3.26 116.55 120.63 1shh n ASP 170 Ca 0.05 0.54 0.14 0.00 0.71 0.00 0.00 54.79 56.22 1shh n ASP 170 Cb 0.10 -0.60 0.59 0.00 -0.02 0.00 0.00 41.12 41.19 1shh n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1shh n SER 171 N -1.76 0.21 -3.79 -2.24 3.41 -0.83 -4.89 113.62 103.72 1shh n SER 171 Ca 0.05 -0.07 -0.11 0.00 -0.26 0.00 0.00 58.87 58.49 1shh n SER 171 Cb 0.31 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 1shh n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1shh s THR 172 N -2.75 0.09 -1.01 6.66 -1.32 -1.20 -4.83 115.64 111.27 1shh s THR 172 Ca 0.21 -0.75 0.25 0.00 -1.21 0.00 0.00 61.69 60.19 1shh s THR 172 Cb 0.19 -0.91 0.01 0.00 -1.51 0.00 0.00 72.50 70.28 1shh s THR 172 CO 0.52 -0.41 1.42 0.54 -2.21 0.00 0.00 174.62 174.48 1shh n ARG 173 N 0.65 0.01 -2.48 7.08 1.74 -1.26 -4.86 116.66 117.54 1shh n ARG 173 Ca -0.19 -0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.49 1shh n ARG 173 Cb 0.59 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.49 1shh n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1shh s ILE 174 N -2.99 3.52 -0.11 0.55 1.01 -1.26 -4.97 121.20 116.95 1shh s ILE 174 Ca 0.11 1.42 -0.30 0.00 0.00 0.00 0.00 60.65 61.89 1shh s ILE 174 Cb 0.18 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.76 1shh s ILE 174 CO 0.70 0.26 1.29 -0.60 0.00 0.00 0.00 174.94 176.58 1shh s ARG 175 N -1.76 4.27 0.30 2.79 3.52 -1.26 -5.02 118.95 121.79 1shh s ARG 175 Ca 0.49 1.74 0.00 0.00 -0.13 0.00 0.00 55.73 57.82 1shh s ARG 175 Cb -0.29 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.35 1shh s ARG 175 CO 0.37 -0.64 0.50 0.96 -0.81 0.00 0.00 175.30 175.69 1shh s ILE 176 N 3.09 5.13 0.31 4.11 -4.36 -1.26 -4.86 121.20 123.36 1shh s ILE 176 Ca 0.57 -0.47 0.03 0.00 -0.26 0.00 0.00 60.65 60.52 1shh s ILE 176 Cb -0.24 -3.83 -0.05 0.00 1.25 0.00 0.00 42.46 39.59 1shh s ILE 176 CO 0.19 -0.44 0.11 0.42 0.24 0.00 0.00 174.94 175.46 1shh s THR 177 N -2.18 0.62 -1.18 8.37 -4.23 -1.26 -5.02 115.64 110.77 1shh s THR 177 Ca 0.39 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.04 1shh s THR 177 Cb -0.10 -2.59 0.17 0.00 1.34 0.00 0.00 72.50 71.33 1shh s THR 177 CO 0.33 0.00 1.43 0.47 -0.54 0.00 0.00 174.62 176.31 1shh n ASP 178 N -0.78 0.00 -0.96 3.99 8.00 -1.26 -1.90 116.55 123.64 1shh n ASP 178 Ca -0.01 0.33 0.06 0.00 0.71 0.00 0.00 54.79 55.87 1shh n ASP 178 Cb 0.66 -0.41 0.20 0.00 -0.02 0.00 0.00 41.12 41.55 1shh n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1shh n ASN 179 N -1.41 2.78 -4.18 -2.24 3.02 -1.26 -4.87 115.26 107.09 1shh n ASN 179 Ca 0.05 -2.20 -0.11 0.00 -0.03 0.00 0.00 54.58 52.29 1shh n ASN 179 Cb 0.14 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 38.81 1shh n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1shh s MET 180 N -1.65 0.90 0.13 3.52 -1.94 -0.80 -0.55 119.30 118.91 1shh s MET 180 Ca 0.29 -1.39 -0.07 0.00 -1.71 0.00 0.00 55.69 52.81 1shh s MET 180 Cb 0.18 -0.12 -0.01 0.00 2.01 0.00 0.00 34.83 36.88 1shh s MET 180 CO 0.15 -0.09 0.21 -0.59 -0.01 0.00 0.00 175.02 174.69 1shh s PHE 181 N -3.72 0.41 0.18 -0.03 -0.12 -0.60 -4.77 117.98 109.33 1shh s PHE 181 Ca 0.16 -0.80 0.07 0.00 -0.05 0.00 0.00 56.93 56.31 1shh s PHE 181 Cb 0.06 -0.14 -0.05 0.00 -0.63 0.00 0.00 43.02 42.26 1shh s PHE 181 CO -0.02 -0.62 -0.14 0.00 -0.05 0.00 0.00 175.22 174.39 1shh s ALA 183 N -2.87 -0.38 0.00 0.00 0.00 -0.42 -1.37 121.76 116.72 1shh s ALA 183 Ca 0.20 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1shh s ALA 183 Cb -0.01 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.63 1shh s ALA 183 CO 0.05 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.70 1shh n GLY 184 N -0.05 4.17 3.83 0.00 0.00 -0.03 -1.97 105.19 111.14 1shh n GLY 184 Ca -0.15 -1.51 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 1shh n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1shh s TYR 184 N -2.00 3.36 0.58 1.61 2.02 -1.26 -4.50 117.35 117.15 1shh s TYR 184 Ca 0.00 1.48 -0.06 0.00 -0.37 0.00 0.00 57.07 58.11 1shh s TYR 184 Cb 0.00 -2.74 -0.00 0.00 -0.40 0.00 0.00 41.96 38.82 1shh s TYR 184 CO 0.00 -0.02 0.90 0.15 -1.57 0.00 0.00 175.55 175.01 1shh s LYS 185 N -3.04 3.05 0.20 -0.62 1.02 -1.26 -4.75 119.74 114.35 1shh s LYS 185 Ca 0.58 0.08 -0.33 0.00 0.02 0.00 0.00 55.97 56.33 1shh s LYS 185 Cb -0.10 -2.27 -0.14 0.00 -0.52 0.00 0.00 37.83 34.81 1shh s LYS 185 CO 0.15 -0.63 1.50 -2.30 -0.92 0.00 0.00 175.35 173.16 1shh n PRO 186 N -2.56 2.11 -1.70 -1.68 -0.02 -1.26 -2.29 135.00 127.60 1shh n PRO 186 Ca 0.04 0.76 -0.15 0.00 -2.02 0.00 0.00 63.50 62.13 1shh n PRO 186 Cb 0.57 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 1shh n PRO 186 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1shh n ASP 186 N 2.83 -4.69 0.00 2.55 8.00 -1.26 -4.89 116.55 119.08 1shh n ASP 186 Ca 0.14 0.25 0.14 0.00 0.71 0.00 0.00 54.79 56.03 1shh n ASP 186 Cb 0.30 -3.61 0.67 0.00 -0.02 0.00 0.00 41.12 38.46 1shh n ASP 186 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1shh n GLU 186 N -2.52 0.18 0.00 -1.24 1.02 -0.97 -4.91 120.64 112.20 1shh n GLU 186 Ca -0.16 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1shh n GLU 186 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1shh n GLU 186 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1shh n GLY 186 N 1.36 0.65 3.19 0.62 0.00 -1.26 -5.05 105.19 104.70 1shh n GLY 186 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1shh n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shh s LYS 186 N -0.97 0.95 0.35 1.61 1.02 -1.26 -5.17 119.74 116.26 1shh s LYS 186 Ca 0.00 -1.43 0.05 0.00 0.02 0.00 0.00 55.97 54.61 1shh s LYS 186 Cb 0.00 -0.14 -0.02 0.00 -0.52 0.00 0.00 37.83 37.15 1shh s LYS 186 CO 0.00 -0.11 0.18 0.54 -0.92 0.00 0.00 175.35 175.04 1shh n ARG 187 N -0.13 0.52 0.00 1.68 1.74 -1.26 -4.77 116.66 114.44 1shh n ARG 187 Ca -0.09 -3.10 0.00 0.00 -0.77 0.00 0.00 57.85 53.89 1shh n ARG 187 Cb 0.62 2.01 0.00 0.00 -1.02 0.00 0.00 32.46 34.07 1shh n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1shh n GLY 188 N -0.56 4.64 3.58 -0.13 0.00 -1.26 -4.94 105.19 106.52 1shh n GLY 188 Ca -0.01 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.77 1shh n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1shh s ASP 189 N 0.00 -0.27 0.83 1.61 2.15 -0.91 -4.62 116.67 115.46 1shh s ASP 189 Ca 0.00 -0.09 -0.10 0.00 0.43 0.00 0.00 52.55 52.79 1shh s ASP 189 Cb 0.00 0.36 0.14 0.00 -0.30 0.00 0.00 42.92 43.12 1shh s ASP 189 CO 0.00 -0.61 1.16 0.00 -0.17 0.00 0.00 175.17 175.55 1shh s ALA 190 N -3.01 2.85 0.33 3.66 0.00 -1.26 -0.57 121.76 123.76 1shh s ALA 190 Ca 0.08 -1.20 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 1shh s ALA 190 Cb -0.01 -2.57 0.04 0.00 0.00 0.00 0.00 23.12 20.58 1shh s ALA 190 CO -0.06 -1.86 0.63 0.00 0.00 0.00 0.00 175.76 174.48 1shh n GLU 192 N -0.47 2.01 0.00 0.00 4.71 -1.26 -1.05 120.64 124.58 1shh n GLU 192 Ca -0.06 0.72 0.00 0.00 -0.01 0.00 0.00 57.16 57.81 1shh n GLU 192 Cb 0.51 -2.37 0.00 0.00 -1.01 0.00 0.00 31.44 28.57 1shh n GLU 192 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1shh n GLY 193 N 2.20 3.19 0.01 0.62 0.00 -1.26 -1.02 105.19 108.93 1shh n GLY 193 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1shh n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1shh n ASP 194 N 0.00 0.39 -4.58 1.61 8.00 -0.22 -3.91 116.55 117.84 1shh n ASP 194 Ca 0.00 0.04 -0.44 0.00 0.71 0.00 0.00 54.79 55.11 1shh n ASP 194 Cb 0.00 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 1shh n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1shh n SER 195 N -1.60 1.09 0.00 -2.24 7.64 -1.26 -1.69 113.62 115.56 1shh n SER 195 Ca 0.06 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1shh n SER 195 Cb 0.35 -1.28 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 1shh n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1shh n GLY 196 N 1.27 3.06 3.77 0.23 0.00 -0.44 -0.18 105.19 112.90 1shh n GLY 196 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1shh n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1shh s GLY 197 N -2.17 1.93 0.27 -0.02 0.00 -0.68 -2.96 107.32 103.69 1shh s GLY 197 Ca 0.00 0.40 -0.16 0.00 0.00 0.00 0.00 44.72 44.96 1shh s GLY 197 CO 0.00 0.75 0.71 2.56 0.00 0.00 0.00 173.10 177.12 1shh s PRO 198 N -4.48 4.08 -0.34 2.90 0.04 -1.26 -0.93 135.00 135.00 1shh s PRO 198 Ca 0.64 0.71 -0.06 0.00 0.04 0.00 0.00 61.00 62.32 1shh s PRO 198 Cb -0.19 -2.63 0.04 0.00 0.04 0.00 0.00 34.50 31.76 1shh s PRO 198 CO 0.48 0.27 0.11 0.12 0.04 0.00 0.00 177.00 178.03 1shh s PHE 199 N -1.78 3.27 0.20 0.56 2.19 -0.32 -3.60 117.98 118.50 1shh s PHE 199 Ca 0.49 -1.45 0.09 0.00 0.33 0.00 0.00 56.93 56.39 1shh s PHE 199 Cb -0.13 -2.33 -0.04 0.00 -1.31 0.00 0.00 43.02 39.21 1shh s PHE 199 CO 0.19 -0.74 -0.05 0.14 1.83 0.00 0.00 175.22 176.59 1shh s VAL 200 N 1.40 3.37 0.01 3.12 -7.23 0.71 -0.86 120.40 120.92 1shh s VAL 200 Ca -0.01 -1.66 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 1shh s VAL 200 Cb -0.20 -2.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 1shh s VAL 200 CO 0.03 -0.17 -0.04 -0.04 -0.31 0.00 0.00 175.10 174.57 1shh s MET 201 N -3.04 0.34 -0.22 4.82 -1.94 -0.42 -0.34 119.30 118.50 1shh s MET 201 Ca 0.27 -0.34 -0.13 0.00 -1.71 0.00 0.00 55.69 53.78 1shh s MET 201 Cb -0.08 -0.22 -0.04 0.00 2.01 0.00 0.00 34.83 36.49 1shh s MET 201 CO 0.17 0.05 0.29 0.21 -0.01 0.00 0.00 175.02 175.73 1shh s LYS 202 N -0.62 4.13 0.15 2.03 2.20 -1.26 -0.77 119.74 125.60 1shh s LYS 202 Ca -0.04 -0.01 -0.31 0.00 -0.36 0.00 0.00 55.97 55.26 1shh s LYS 202 Cb -0.05 -3.53 -0.08 0.00 -1.51 0.00 0.00 37.83 32.66 1shh s LYS 202 CO -0.00 0.02 1.31 0.45 -0.36 0.00 0.00 175.35 176.77 1shh s SER 203 N 1.01 6.92 0.00 1.43 0.15 0.21 -4.90 113.70 118.52 1shh s SER 203 Ca 0.14 2.31 0.30 0.00 0.70 0.00 0.00 55.95 59.40 1shh s SER 203 Cb -0.14 -2.60 1.67 0.00 -1.71 0.00 0.00 66.02 63.24 1shh s SER 203 CO 0.06 -0.55 2.11 -0.81 1.20 0.00 0.00 173.24 175.25 1shh n PRO 204 N 3.23 0.67 -0.10 5.44 -0.04 -1.26 -2.27 135.00 140.68 1shh n PRO 204 Ca 0.08 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.43 1shh n PRO 204 Cb 0.43 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.27 1shh n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1shh n PHE 204 N -1.16 0.00 -0.55 0.54 3.72 -1.26 -4.75 117.46 114.00 1shh n PHE 204 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1shh n PHE 204 Cb 0.18 -0.87 0.00 0.00 -0.94 0.00 0.00 39.48 37.85 1shh n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1shh n ASN 204 N -2.86 0.93 0.00 4.37 2.04 -1.25 -5.02 115.26 113.47 1shh n ASN 204 Ca -0.33 -1.48 0.00 0.00 -0.44 0.00 0.00 54.58 52.33 1shh n ASN 204 Cb 1.01 -0.00 0.00 0.00 -2.53 0.00 0.00 39.78 38.26 1shh n ASN 204 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1shh n ASN 205 N -0.24 -4.80 -4.89 0.53 5.15 -0.96 -4.99 115.26 105.07 1shh n ASN 205 Ca 0.00 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.67 1shh n ASN 205 Cb 0.39 -2.47 -0.05 0.00 -0.53 0.00 0.00 39.78 37.12 1shh n ASN 205 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1shh s ARG 206 N -1.31 3.71 -0.13 1.20 0.52 -1.26 -4.79 118.95 116.89 1shh s ARG 206 Ca 0.00 0.10 -0.16 0.00 -0.52 0.00 0.00 55.73 55.15 1shh s ARG 206 Cb 0.00 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 1shh s ARG 206 CO 0.00 0.36 0.39 -1.58 0.02 0.00 0.00 175.30 174.49 1shh s TRP 207 N -1.79 3.50 -0.07 -0.53 0.52 -1.26 -0.62 118.94 118.69 1shh s TRP 207 Ca 0.44 0.76 0.04 0.00 0.02 0.00 0.00 56.10 57.37 1shh s TRP 207 Cb -0.11 -2.44 -0.01 0.00 -1.15 0.00 0.00 33.47 29.75 1shh s TRP 207 CO 0.23 0.23 -0.20 0.71 0.02 0.00 0.00 176.95 177.95 1shh s TYR 208 N 0.44 2.58 -0.56 -1.98 2.02 0.05 -2.07 117.35 117.83 1shh s TYR 208 Ca 0.22 -0.61 -0.24 0.00 -0.37 0.00 0.00 57.07 56.07 1shh s TYR 208 Cb -0.14 -1.66 0.04 0.00 -0.40 0.00 0.00 41.96 39.80 1shh s TYR 208 CO 0.08 -0.14 0.93 -1.14 -1.57 0.00 0.00 175.55 173.70 1shh s GLN 209 N -0.14 3.30 0.08 -0.62 0.74 -0.02 -1.30 119.66 121.69 1shh s GLN 209 Ca -0.03 -0.35 0.16 0.00 0.05 0.00 0.00 55.36 55.19 1shh s GLN 209 Cb -0.14 -4.07 -0.12 0.00 1.10 0.00 0.00 33.01 29.78 1shh s GLN 209 CO 0.04 -1.51 0.90 0.52 -0.55 0.00 0.00 175.29 174.69 1shh h MET 210 N 9.32 0.00 -4.29 1.67 2.86 -1.33 -3.38 114.93 119.78 1shh h MET 210 Ca -0.26 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.18 1shh h MET 210 Cb 1.07 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.61 1shh h MET 210 CO 1.09 0.36 -0.43 0.20 1.06 0.00 0.00 176.91 179.18 1shh s GLY 211 N -4.78 1.22 -0.07 8.32 0.00 -0.92 -1.43 107.32 109.67 1shh s GLY 211 Ca -0.02 -1.46 0.02 0.00 0.00 0.00 0.00 44.72 43.26 1shh s GLY 211 CO 0.80 -1.14 -0.12 -0.42 0.00 0.00 0.00 173.10 172.22 1shh s ILE 212 N -4.01 1.17 0.06 0.90 1.01 -0.93 -1.18 121.20 118.23 1shh s ILE 212 Ca 0.34 -0.48 -0.33 0.00 0.00 0.00 0.00 60.65 60.17 1shh s ILE 212 Cb 0.04 -1.08 -0.12 0.00 0.01 0.00 0.00 42.46 41.31 1shh s ILE 212 CO 0.13 0.37 1.74 0.52 0.00 0.00 0.00 174.94 177.70 1shh n VAL 213 N 3.96 0.30 0.05 2.92 0.31 -0.11 -0.53 118.33 125.23 1shh n VAL 213 Ca -0.21 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1shh n VAL 213 Cb 0.51 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 1shh n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1shh n SER 214 N 5.09 0.68 -3.49 4.52 2.88 -0.59 -1.33 113.62 121.38 1shh n SER 214 Ca 0.19 0.14 -0.08 0.00 -1.33 0.00 0.00 58.87 57.79 1shh n SER 214 Cb 0.31 -0.17 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 1shh n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1shh s TRP 215 N -2.00 0.04 0.04 0.66 1.48 -0.95 -4.92 118.94 113.28 1shh s TRP 215 Ca 0.00 -0.56 -0.10 0.00 -1.06 0.00 0.00 56.10 54.38 1shh s TRP 215 Cb 0.00 0.68 0.03 0.00 -1.16 0.00 0.00 33.47 33.02 1shh s TRP 215 CO 0.00 -1.34 0.46 0.41 -4.06 0.00 0.00 176.95 172.41 1shh n GLY 216 N -0.49 0.82 2.74 3.67 0.00 -1.26 -0.59 105.19 110.07 1shh n GLY 216 Ca -0.05 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1shh n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1shh s GLU 217 N -2.02 0.72 1.78 1.61 2.02 -1.26 -5.03 118.70 116.52 1shh s GLU 217 Ca 0.10 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.37 1shh s GLU 217 Cb -0.01 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.18 1shh s GLU 217 CO 0.01 -0.80 0.00 0.41 0.02 0.00 0.00 175.26 174.91 1shh n GLY 219 N 4.96 -1.38 3.04 -1.39 0.00 -1.26 -4.82 105.19 104.34 1shh n GLY 219 Ca -0.06 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1shh n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shh n ASP 221 N 3.86 -5.66 -4.79 0.00 2.03 -1.26 -4.58 116.55 106.15 1shh n ASP 221 Ca -0.22 0.05 -0.39 0.00 0.52 0.00 0.00 54.79 54.75 1shh n ASP 221 Cb 0.54 -4.75 -0.06 0.00 -0.72 0.00 0.00 41.12 36.14 1shh n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1shh s ARG 221 N -4.93 4.44 0.25 -0.67 0.52 -1.26 -4.92 118.95 112.39 1shh s ARG 221 Ca 0.00 1.02 -0.31 0.00 -0.52 0.00 0.00 55.73 55.92 1shh s ARG 221 Cb 0.00 -3.26 -0.13 0.00 0.52 0.00 0.00 34.95 32.08 1shh s ARG 221 CO 0.00 0.59 1.45 -0.25 0.02 0.00 0.00 175.30 177.11 1shh n ASP 222 N 1.66 3.01 0.00 0.23 8.00 -1.26 -1.90 116.55 126.29 1shh n ASP 222 Ca -0.07 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.57 1shh n ASP 222 Cb 0.49 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 1shh n ASP 222 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1shh n GLY 223 N 2.12 0.88 3.45 0.44 0.00 -1.26 -5.02 105.19 105.80 1shh n GLY 223 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1shh n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shh s LYS 224 N -0.18 1.61 0.04 1.61 -0.14 -0.80 -4.80 119.74 117.08 1shh s LYS 224 Ca 0.00 -1.60 0.01 0.00 -1.36 0.00 0.00 55.97 53.02 1shh s LYS 224 Cb 0.00 -1.84 -0.02 0.00 -1.68 0.00 0.00 37.83 34.29 1shh s LYS 224 CO 0.00 0.37 -0.06 0.71 -0.76 0.00 0.00 175.35 175.62 1shh s TYR 225 N -2.00 0.53 0.35 3.18 2.02 -1.26 -4.71 117.35 115.46 1shh s TYR 225 Ca 0.25 -0.55 -0.20 0.00 -0.37 0.00 0.00 57.07 56.19 1shh s TYR 225 Cb -0.07 -0.33 -0.10 0.00 -0.40 0.00 0.00 41.96 41.06 1shh s TYR 225 CO 0.12 -0.14 0.86 0.20 -1.57 0.00 0.00 175.55 175.03 1shh s GLY 226 N -1.66 2.49 0.02 0.71 0.00 -0.83 -4.69 107.32 103.35 1shh s GLY 226 Ca -0.10 0.30 0.04 0.00 0.00 0.00 0.00 44.72 44.95 1shh s GLY 226 CO -0.01 0.60 -0.08 -1.36 0.00 0.00 0.00 173.10 172.26 1shh s PHE 227 N -1.92 2.85 0.03 1.90 0.40 0.24 -1.30 117.98 120.17 1shh s PHE 227 Ca 0.55 -0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.85 1shh s PHE 227 Cb -0.12 -1.58 -0.02 0.00 0.51 0.00 0.00 43.02 41.81 1shh s PHE 227 CO 0.17 0.37 -0.11 0.71 0.70 0.00 0.00 175.22 177.06 1shh s TYR 228 N -1.01 0.98 0.16 0.36 1.51 0.18 -1.55 117.35 117.98 1shh s TYR 228 Ca 0.17 -0.31 -0.31 0.00 -1.01 0.00 0.00 57.07 55.61 1shh s TYR 228 Cb -0.11 -0.60 -0.08 0.00 -0.11 0.00 0.00 41.96 41.06 1shh s TYR 228 CO 0.08 0.00 1.33 0.99 -1.11 0.00 0.00 175.55 176.84 1shh s THR 229 N -0.75 3.32 -0.73 -0.71 2.01 0.31 -1.56 115.64 117.54 1shh s THR 229 Ca 0.00 1.02 -0.27 0.00 0.31 0.00 0.00 61.69 62.75 1shh s THR 229 Cb -0.07 -3.65 0.03 0.00 0.01 0.00 0.00 72.50 68.82 1shh s THR 229 CO 0.01 0.12 1.28 -2.28 -0.69 0.00 0.00 174.62 173.05 1shh s HIS 230 N 0.55 2.30 0.18 4.92 2.46 0.28 -2.19 115.29 123.79 1shh s HIS 230 Ca 0.60 -0.02 -0.14 0.00 0.47 0.00 0.00 55.06 55.96 1shh s HIS 230 Cb -0.36 -4.62 0.07 0.00 -0.13 0.00 0.00 32.58 27.54 1shh s HIS 230 CO 0.34 -2.05 1.83 0.28 -2.47 0.00 0.00 174.74 172.67 1shh h VAL 231 N 6.04 1.15 -0.65 0.89 2.07 -1.54 -2.70 116.25 121.50 1shh h VAL 231 Ca -0.28 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1shh h VAL 231 Cb 1.05 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1shh h VAL 231 CO 1.28 0.15 0.38 0.15 0.02 0.00 0.00 177.57 179.55 1shh h PHE 232 N 0.75 0.85 0.00 1.57 3.57 -1.87 -0.91 116.94 120.91 1shh h PHE 232 Ca 0.20 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1shh h PHE 232 Cb -0.07 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.39 1shh h PHE 232 CO -0.03 0.58 -0.00 0.00 -2.23 0.00 0.00 178.31 176.62 1shh h ARG 233 N 0.90 0.00 -0.55 1.11 2.47 -1.85 -1.60 114.38 114.86 1shh h ARG 233 Ca 0.23 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.95 1shh h ARG 233 Cb -0.02 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 1shh h ARG 233 CO -0.04 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.77 1shh n LEU 234 N -4.31 3.51 -0.27 3.04 4.77 -0.44 -4.61 117.00 118.70 1shh n LEU 234 Ca -0.03 -2.03 -0.03 0.00 -0.03 0.00 0.00 56.01 53.90 1shh n LEU 234 Cb 0.09 -0.38 0.09 0.00 -2.33 0.00 0.00 43.42 40.89 1shh n LEU 234 CO 0.32 0.86 1.16 0.50 -1.33 0.00 0.00 177.39 178.90 1shh h LYS 235 N 3.22 0.88 -0.96 3.23 1.63 -0.31 -2.25 116.57 122.01 1shh h LYS 235 Ca 0.00 -0.05 0.06 0.00 -0.85 0.00 0.00 60.65 59.81 1shh h LYS 235 Cb 0.89 -0.20 -0.07 0.00 -0.60 0.00 0.00 32.23 32.26 1shh h LYS 235 CO 0.01 0.58 0.62 0.87 -3.45 0.00 0.00 179.45 178.08 1shh h LYS 236 N 0.91 1.09 -0.44 1.90 1.79 -1.81 -0.64 116.57 119.36 1shh h LYS 236 Ca 0.30 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.64 1shh h LYS 236 Cb 0.03 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.42 1shh h LYS 236 CO -0.12 0.72 0.01 2.35 -1.08 0.00 0.00 179.45 181.34 1shh h TRP 237 N 1.12 0.84 0.04 -1.35 7.01 -1.79 -0.56 115.95 121.27 1shh h TRP 237 Ca 0.41 -0.14 0.01 0.00 2.11 0.00 0.00 58.89 61.28 1shh h TRP 237 Cb 0.16 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.99 1shh h TRP 237 CO -0.01 0.82 -0.08 0.82 -2.79 0.00 0.00 178.44 177.20 1shh h ILE 238 N 0.62 0.81 -0.84 2.65 2.04 -0.76 -1.20 117.51 120.83 1shh h ILE 238 Ca 0.13 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.02 1shh h ILE 238 Cb 0.47 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1shh h ILE 238 CO 0.02 0.00 0.54 1.56 0.00 0.00 0.00 178.15 180.27 1shh h GLN 239 N -0.16 1.01 -0.36 2.37 4.20 -1.07 -1.15 115.11 119.95 1shh h GLN 239 Ca 0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1shh h GLN 239 Cb 0.17 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1shh h GLN 239 CO -0.05 0.67 0.23 -0.22 -0.67 0.00 0.00 178.83 178.80 1shh h LYS 240 N 1.05 0.48 -0.14 1.46 3.64 -0.73 0.11 116.57 122.43 1shh h LYS 240 Ca 0.34 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1shh h LYS 240 Cb 0.01 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1shh h LYS 240 CO -0.12 0.32 0.05 0.28 -2.27 0.00 0.00 179.45 177.71 1shh h VAL 241 N 0.48 1.17 -0.51 2.00 2.07 -0.84 -2.27 116.25 118.35 1shh h VAL 241 Ca 0.13 -0.54 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 1shh h VAL 241 Cb -0.05 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1shh h VAL 241 CO -0.03 0.16 -0.03 0.40 0.02 0.00 0.00 177.57 178.09 1shh h ILE 242 N 0.05 1.27 -0.78 4.57 2.04 -1.07 2.49 117.51 126.07 1shh h ILE 242 Ca 0.05 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.77 1shh h ILE 242 Cb 0.21 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1shh h ILE 242 CO -0.00 0.40 0.52 0.44 0.00 0.00 0.00 178.15 179.51 1shh h ASP 243 N 0.79 0.90 0.39 1.72 3.32 -0.74 -2.70 116.42 120.11 1shh h ASP 243 Ca 0.14 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1shh h ASP 243 Cb 0.57 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1shh h ASP 243 CO 0.03 0.65 -1.61 1.67 -1.72 0.00 0.00 179.24 178.27 1shh n GLN 244 N -4.41 0.64 -0.66 3.56 7.27 -0.86 -5.10 117.38 117.82 1shh n GLN 244 Ca 0.09 -0.07 0.00 0.00 0.07 0.00 0.00 57.00 57.09 1shh n GLN 244 Cb 0.03 -1.64 0.00 0.00 2.41 0.00 0.00 30.24 31.04 1shh n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32