#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shz s ALA 46 N 0.00 2.11 -0.37 0.00 0.00 -1.26 -4.93 121.76 117.31 1shz s ALA 46 Ca 0.00 -2.76 0.06 0.00 0.00 0.00 0.00 51.96 49.27 1shz s ALA 46 Cb 0.00 -1.80 0.57 0.00 0.00 0.00 0.00 23.12 21.89 1shz s ALA 46 CO 0.00 -2.04 1.67 0.54 0.00 0.00 0.00 175.76 175.93 1shz n ARG 47 N 2.94 2.07 -3.46 0.00 1.74 -1.26 -4.96 116.66 113.72 1shz n ARG 47 Ca 0.20 -3.15 -0.38 0.00 -0.77 0.00 0.00 57.85 53.76 1shz n ARG 47 Cb 0.40 -1.99 -0.08 0.00 -1.02 0.00 0.00 32.46 29.77 1shz n ARG 47 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1shz s GLU 48 N -3.30 4.11 -0.24 5.56 2.02 -1.26 -0.91 118.70 124.68 1shz s GLU 48 Ca 0.51 0.04 0.02 0.00 0.02 0.00 0.00 54.97 55.55 1shz s GLU 48 Cb 0.44 -3.56 0.06 0.00 0.10 0.00 0.00 34.13 31.16 1shz s GLU 48 CO 0.04 -0.06 -0.10 0.08 0.02 0.00 0.00 175.26 175.24 1shz s VAL 49 N 1.41 1.94 -0.33 2.63 1.01 -0.67 -4.97 120.40 121.42 1shz s VAL 49 Ca 0.15 -1.41 -0.19 0.00 0.00 0.00 0.00 61.98 60.53 1shz s VAL 49 Cb -0.15 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1shz s VAL 49 CO 0.07 0.02 0.57 -0.75 0.00 0.00 0.00 175.10 175.01 1shz s LYS 50 N 1.22 3.76 -0.00 2.72 2.20 -1.26 0.23 119.74 128.61 1shz s LYS 50 Ca -0.06 0.05 0.04 0.00 -0.36 0.00 0.00 55.97 55.64 1shz s LYS 50 Cb -0.19 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.33 1shz s LYS 50 CO -0.06 -0.61 -0.12 -1.17 -0.36 0.00 0.00 175.35 173.03 1shz s LEU 51 N 2.50 2.92 -0.06 5.43 2.96 0.19 -1.14 118.68 131.48 1shz s LEU 51 Ca 0.22 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 1shz s LEU 51 Cb -0.15 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 1shz s LEU 51 CO 0.13 0.29 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.47 1shz s LEU 52 N -1.24 2.00 -0.30 -0.68 1.43 -0.94 -1.63 118.68 117.32 1shz s LEU 52 Ca 0.15 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.70 1shz s LEU 52 Cb -0.11 -1.23 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 1shz s LEU 52 CO 0.05 0.19 0.14 -0.76 0.23 0.00 0.00 176.35 176.20 1shz s LEU 53 N 0.02 4.02 0.31 1.79 1.43 -0.69 0.41 118.68 125.97 1shz s LEU 53 Ca -0.07 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 1shz s LEU 53 Cb -0.14 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1shz s LEU 53 CO 0.04 -0.18 0.12 -0.76 0.23 0.00 0.00 176.35 175.81 1shz s LEU 54 N 1.60 1.78 0.00 1.79 1.43 -0.47 -3.77 118.68 121.04 1shz s LEU 54 Ca 0.05 -1.50 0.00 0.00 -1.03 0.00 0.00 54.13 51.64 1shz s LEU 54 Cb -0.17 0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.07 1shz s LEU 54 CO 0.06 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 176.43 1shz n GLY 55 N -0.62 3.46 3.70 -3.19 0.00 -1.26 0.04 105.19 107.33 1shz n GLY 55 Ca -0.01 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 1shz n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shz s ALA 56 N -2.00 1.16 0.84 4.61 0.00 -1.26 -4.34 121.76 120.76 1shz s ALA 56 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.06 1shz s ALA 56 Cb 0.00 -2.95 0.05 0.00 0.00 0.00 0.00 23.12 20.22 1shz s ALA 56 CO 0.00 -2.98 0.86 0.41 0.00 0.00 0.00 175.76 174.05 1shz n GLY 57 N -1.66 -0.86 2.04 0.00 0.00 -1.23 -2.86 105.19 100.63 1shz n GLY 57 Ca 0.10 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 1shz n GLY 57 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1shz n GLU 58 N -2.47 -1.52 -0.02 1.61 2.13 -1.26 -4.86 120.64 114.25 1shz n GLU 58 Ca 0.11 0.66 -0.13 0.00 0.66 0.00 0.00 57.16 58.46 1shz n GLU 58 Cb 0.51 -4.98 -0.10 0.00 0.27 0.00 0.00 31.44 27.15 1shz n GLU 58 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1shz h SER 59 N 0.00 0.01 0.00 4.31 0.87 -1.89 -3.46 113.55 113.39 1shz h SER 59 Ca -0.25 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 59.81 1shz h SER 59 Cb 0.88 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1shz h SER 59 CO 0.35 0.51 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 1shz n GLY 60 N 0.26 -0.81 0.36 5.77 0.00 -1.26 -4.45 105.19 105.06 1shz n GLY 60 Ca -0.08 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.09 1shz n GLY 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1shz h LYS 61 N 0.00 0.66 0.19 1.61 1.57 -1.92 -2.56 116.57 116.12 1shz h LYS 61 Ca 0.00 -0.04 -0.33 0.00 -1.87 0.00 0.00 60.65 58.41 1shz h LYS 61 Cb 0.00 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.18 1shz h LYS 61 CO 0.00 0.44 -1.59 0.77 -0.57 0.00 0.00 179.45 178.50 1shz h SER 62 N 0.68 0.63 -0.66 0.86 0.02 -1.96 -3.18 113.55 109.93 1shz h SER 62 Ca 0.58 -0.81 0.14 0.00 -0.84 0.00 0.00 61.79 60.86 1shz h SER 62 Cb 1.02 -0.20 -0.10 0.00 0.14 0.00 0.00 62.40 63.26 1shz h SER 62 CO -0.37 1.66 0.12 0.74 -1.14 0.00 0.00 176.83 177.84 1shz h THR 63 N 0.11 0.56 -0.38 -2.27 2.02 -1.78 -0.12 112.91 111.04 1shz h THR 63 Ca -0.28 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 1shz h THR 63 Cb 2.10 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 1shz h THR 63 CO 0.21 0.04 0.21 0.15 0.37 0.00 0.00 175.52 176.50 1shz h PHE 64 N 0.23 0.52 -0.17 3.16 3.57 -1.57 -2.19 116.94 120.48 1shz h PHE 64 Ca 0.36 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 1shz h PHE 64 Cb 0.58 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1shz h PHE 64 CO -0.28 0.40 -0.01 1.25 -2.23 0.00 0.00 178.31 177.44 1shz h LEU 65 N 0.49 0.23 -1.29 0.59 5.85 -1.16 -0.47 115.31 119.55 1shz h LEU 65 Ca 0.13 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1shz h LEU 65 Cb 0.05 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1shz h LEU 65 CO -0.02 0.28 -0.28 0.11 -0.34 0.00 0.00 178.44 178.19 1shz h LYS 66 N 0.25 0.00 -0.02 1.25 1.57 -0.55 -2.32 116.57 116.74 1shz h LYS 66 Ca 0.06 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.61 1shz h LYS 66 Cb 0.19 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1shz h LYS 66 CO 0.00 0.28 -0.94 1.96 -0.57 0.00 0.00 179.45 180.19 1shz h GLN 67 N 0.00 0.53 -0.29 3.15 1.08 -0.53 -1.08 115.11 117.97 1shz h GLN 67 Ca -0.00 -0.54 -0.06 0.00 -1.45 0.00 0.00 58.65 56.60 1shz h GLN 67 Cb 0.68 0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.24 1shz h GLN 67 CO 0.04 1.17 -0.08 0.52 -0.95 0.00 0.00 178.83 179.53 1shz h MET 68 N 0.31 0.47 -0.08 1.46 2.86 -0.94 1.17 114.93 120.18 1shz h MET 68 Ca -0.09 -0.12 -0.21 0.00 -2.06 0.00 0.00 59.70 57.23 1shz h MET 68 Cb 1.57 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.17 1shz h MET 68 CO 0.17 0.56 -0.80 -0.09 1.06 0.00 0.00 176.91 177.82 1shz h ARG 69 N 0.45 0.54 0.07 1.72 2.43 -1.37 0.30 114.38 118.51 1shz h ARG 69 Ca 0.09 -0.47 -0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1shz h ARG 69 Cb 0.42 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1shz h ARG 69 CO 0.02 1.10 -0.04 0.82 -1.51 0.00 0.00 179.97 180.36 1shz h ILE 70 N 0.35 1.19 0.07 1.20 2.04 -0.13 0.26 117.51 122.50 1shz h ILE 70 Ca -0.05 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 1shz h ILE 70 Cb 1.40 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1shz h ILE 70 CO 0.15 0.25 -0.04 0.40 0.00 0.00 0.00 178.15 178.91 1shz h ILE 71 N -0.58 1.21 0.00 -0.67 2.04 0.13 -3.42 117.51 116.21 1shz h ILE 71 Ca -0.01 -1.30 -0.31 0.00 1.00 0.00 0.00 64.86 64.24 1shz h ILE 71 Cb 0.49 2.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 1shz h ILE 71 CO 0.02 0.31 -2.10 1.41 0.00 0.00 0.00 178.15 177.78 1shz n HIS 72 N -4.85 0.00 -0.17 1.37 8.25 -0.15 -5.04 115.22 114.63 1shz n HIS 72 Ca -0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.34 1shz n HIS 72 Cb 0.29 -0.72 0.03 0.00 1.12 0.00 0.00 29.99 30.71 1shz n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1shz n GLY 73 N 2.18 -3.40 0.00 -1.41 0.00 0.87 -4.82 105.19 98.61 1shz n GLY 73 Ca -0.36 -1.30 0.05 0.00 0.00 0.00 0.00 46.02 44.41 1shz n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1shz n GLN 74 N -2.26 0.68 0.00 1.61 0.00 -1.24 -4.72 117.38 111.45 1shz n GLN 74 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.01 1shz n GLN 74 Cb 0.06 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.06 1shz n GLN 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1shz n ASP 75 N -0.75 -3.75 -4.18 2.61 2.03 0.04 -4.71 116.55 107.83 1shz n ASP 75 Ca 0.08 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.05 1shz n ASP 75 Cb 0.04 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.29 1shz n ASP 75 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1shz s PHE 76 N 0.00 2.95 0.73 -0.67 0.08 -1.26 -4.90 117.98 114.91 1shz s PHE 76 Ca 0.00 -1.53 -0.09 0.00 0.12 0.00 0.00 56.93 55.43 1shz s PHE 76 Cb 0.00 -2.00 0.06 0.00 -0.57 0.00 0.00 43.02 40.50 1shz s PHE 76 CO 0.00 -0.74 1.06 0.16 -0.10 0.00 0.00 175.22 175.61 1shz s ASP 77 N 1.32 4.86 0.20 1.36 -4.77 -1.26 -4.82 116.67 113.56 1shz s ASP 77 Ca 0.02 0.65 -0.11 0.00 -3.30 0.00 0.00 52.55 49.82 1shz s ASP 77 Cb -0.15 -1.30 0.21 0.00 -1.09 0.00 0.00 42.92 40.59 1shz s ASP 77 CO -0.08 -1.62 1.79 0.06 0.70 0.00 0.00 175.17 176.03 1shz h GLN 78 N -0.71 0.57 -0.20 2.11 -0.00 -1.98 0.13 115.11 115.04 1shz h GLN 78 Ca -0.45 -0.03 0.03 0.00 -0.00 0.00 0.00 58.65 58.20 1shz h GLN 78 Cb 1.31 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.48 28.63 1shz h GLN 78 CO 0.63 0.38 0.01 -0.09 -0.00 0.00 0.00 178.83 179.75 1shz h ARG 79 N 0.59 0.07 -0.60 0.06 2.43 -2.01 -2.07 114.38 112.85 1shz h ARG 79 Ca 0.27 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 1shz h ARG 79 Cb 0.19 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1shz h ARG 79 CO -0.19 0.05 0.37 0.00 -1.51 0.00 0.00 179.97 178.69 1shz h ALA 80 N 1.16 0.77 0.00 2.80 0.00 -1.77 -2.20 119.26 120.02 1shz h ALA 80 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1shz h ALA 80 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1shz h ALA 80 CO -0.15 0.11 -0.01 0.00 0.00 0.00 0.00 179.25 179.20 1shz h ARG 81 N 0.73 0.00 0.00 0.00 3.08 -0.09 -0.75 114.38 117.35 1shz h ARG 81 Ca 0.24 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 1shz h ARG 81 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1shz h ARG 81 CO -0.10 0.01 -0.20 0.93 -1.07 0.00 0.00 179.97 179.54 1shz h GLU 82 N 0.00 0.00 0.00 0.04 3.07 -0.87 -2.43 114.58 114.39 1shz h GLU 82 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1shz h GLU 82 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1shz h GLU 82 CO 0.00 0.20 0.00 -1.91 -1.40 0.00 0.00 179.01 175.90 1shz n GLU 83 N -4.09 0.15 0.03 2.33 0.00 -0.29 -1.86 120.64 116.90 1shz n GLU 83 Ca -0.02 0.55 0.11 0.00 0.00 0.00 0.00 57.16 57.80 1shz n GLU 83 Cb 0.27 -1.90 -0.08 0.00 0.00 0.00 0.00 31.44 29.74 1shz n GLU 83 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1shz n PHE 84 N -2.19 0.29 -0.14 4.31 3.01 -0.91 -4.39 117.46 117.43 1shz n PHE 84 Ca -0.00 0.09 -0.04 0.00 1.01 0.00 0.00 57.45 58.50 1shz n PHE 84 Cb 0.10 -0.55 0.02 0.00 -0.01 0.00 0.00 39.48 39.04 1shz n PHE 84 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1shz h ARG 85 N 0.00 -0.07 0.00 -1.08 2.43 -1.48 0.14 114.38 114.32 1shz h ARG 85 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1shz h ARG 85 Cb 0.89 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 1shz h ARG 85 CO 0.00 -0.05 -0.13 -1.00 -1.51 0.00 0.00 179.97 177.28 1shz h PRO 86 N -0.07 0.00 0.00 0.20 0.13 -1.76 -2.19 132.00 128.30 1shz h PRO 86 Ca 0.22 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.11 1shz h PRO 86 Cb 0.42 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.51 1shz h PRO 86 CO -0.52 0.13 -1.35 1.79 -0.23 0.00 0.00 178.00 177.83 1shz h THR 87 N 0.00 1.14 -0.46 1.56 1.35 -1.21 -1.93 112.91 113.35 1shz h THR 87 Ca -0.00 -2.88 -0.08 0.00 -0.55 0.00 0.00 66.41 62.90 1shz h THR 87 Cb 0.27 2.54 -0.02 0.00 -1.73 0.00 0.00 68.15 69.22 1shz h THR 87 CO 0.02 0.65 -0.03 0.40 -0.25 0.00 0.00 175.52 176.31 1shz h ILE 88 N 0.00 1.27 0.20 6.82 2.04 -0.54 0.55 117.51 127.84 1shz h ILE 88 Ca -0.15 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 1shz h ILE 88 Cb 1.85 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 1shz h ILE 88 CO 0.09 0.38 -0.10 1.88 0.00 0.00 0.00 178.15 180.41 1shz h TYR 89 N 0.68 -0.25 -0.93 1.37 0.99 -1.46 -1.55 116.97 115.81 1shz h TYR 89 Ca 0.13 -0.01 0.14 0.00 2.00 0.00 0.00 58.73 60.99 1shz h TYR 89 Cb 0.54 0.08 -0.08 0.00 1.00 0.00 0.00 36.73 38.28 1shz h TYR 89 CO 0.04 -0.12 0.59 1.03 -0.00 0.00 0.00 178.16 179.71 1shz h SER 90 N -0.32 0.75 -0.40 3.88 0.87 -1.26 -0.96 113.55 116.11 1shz h SER 90 Ca -0.03 0.05 0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1shz h SER 90 Cb 0.24 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 1shz h SER 90 CO 0.05 0.38 0.19 0.78 -0.53 0.00 0.00 176.83 177.69 1shz h ASN 91 N 0.79 0.26 0.20 6.23 2.35 -0.06 -1.55 115.58 123.80 1shz h ASN 91 Ca 0.47 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.23 1shz h ASN 91 Cb 0.65 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.00 1shz h ASN 91 CO -0.23 0.19 -0.10 0.58 -1.65 0.00 0.00 177.43 176.22 1shz h VAL 92 N 0.38 0.89 0.22 2.81 2.07 -0.28 -2.48 116.25 119.85 1shz h VAL 92 Ca 0.17 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1shz h VAL 92 Cb 0.10 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1shz h VAL 92 CO -0.14 0.17 -0.20 0.40 0.02 0.00 0.00 177.57 177.82 1shz h ILE 93 N -0.68 0.55 0.00 4.57 2.04 -1.22 0.24 117.51 123.01 1shz h ILE 93 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1shz h ILE 93 Cb 0.48 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1shz h ILE 93 CO 0.05 0.00 -0.05 0.11 0.00 0.00 0.00 178.15 178.25 1shz h LYS 94 N -0.45 0.00 0.18 2.37 1.57 -1.41 -0.76 116.57 118.07 1shz h LYS 94 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1shz h LYS 94 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1shz h LYS 94 CO -0.04 0.05 -0.08 0.78 -0.57 0.00 0.00 179.45 179.59 1shz h GLY 95 N 0.30 -0.25 0.85 3.86 0.00 -0.74 -2.05 103.07 105.05 1shz h GLY 95 Ca -0.00 0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1shz h GLY 95 CO 0.01 -0.09 0.64 1.98 0.00 0.00 0.00 176.54 179.08 1shz h MET 96 N -0.72 1.16 -0.61 4.80 1.85 -0.07 -1.30 114.93 120.05 1shz h MET 96 Ca -0.02 -0.07 0.01 0.00 -0.61 0.00 0.00 59.70 59.01 1shz h MET 96 Cb 0.50 -0.26 -0.03 0.00 0.43 0.00 0.00 31.60 32.24 1shz h MET 96 CO 0.04 0.77 0.40 0.00 -0.40 0.00 0.00 176.91 177.71 1shz h ARG 97 N 1.20 0.78 -0.40 0.39 3.08 -1.10 0.26 114.38 118.58 1shz h ARG 97 Ca 0.40 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.37 1shz h ARG 97 Cb 0.08 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1shz h ARG 97 CO -0.14 0.51 0.08 0.28 -1.07 0.00 0.00 179.97 179.63 1shz h VAL 98 N 0.80 1.19 -0.26 2.04 2.07 -0.72 -1.95 116.25 119.41 1shz h VAL 98 Ca 0.23 -0.69 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1shz h VAL 98 Cb -0.06 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1shz h VAL 98 CO -0.06 0.25 -0.07 0.25 0.02 0.00 0.00 177.57 177.95 1shz h LEU 99 N 0.58 0.52 -0.57 2.57 5.85 -0.02 -1.14 115.31 123.10 1shz h LEU 99 Ca 0.13 -0.37 -0.14 0.00 0.84 0.00 0.00 57.88 58.34 1shz h LEU 99 Cb 0.25 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1shz h LEU 99 CO -0.00 0.77 -0.33 -0.37 -0.34 0.00 0.00 178.44 178.18 1shz h VAL 100 N 0.26 1.28 -0.38 1.05 -1.51 -0.40 -1.86 116.25 114.69 1shz h VAL 100 Ca 0.07 -1.48 -0.09 0.00 -1.23 0.00 0.00 66.70 63.97 1shz h VAL 100 Cb 0.55 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 31.05 1shz h VAL 100 CO 0.03 0.49 -0.13 -0.78 -1.23 0.00 0.00 177.57 175.95 1shz h ASP 101 N 0.66 0.66 0.22 4.19 -0.00 -1.33 -1.72 116.42 119.10 1shz h ASP 101 Ca 0.07 -0.19 -0.09 0.00 -0.00 0.00 0.00 57.03 56.82 1shz h ASP 101 Cb 0.87 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 40.01 1shz h ASP 101 CO 0.08 0.81 -0.33 0.00 -0.00 0.00 0.00 179.24 179.80 1shz h ALA 102 N 1.25 1.28 -0.00 -0.78 0.00 -0.99 -0.68 119.26 119.33 1shz h ALA 102 Ca 0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1shz h ALA 102 Cb 0.57 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1shz h ALA 102 CO 0.04 0.50 0.00 -0.09 0.00 0.00 0.00 179.25 179.70 1shz h ARG 103 N 0.16 0.00 0.72 0.00 2.43 -0.59 -0.07 114.38 117.03 1shz h ARG 103 Ca 0.02 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1shz h ARG 103 Cb 0.67 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1shz h ARG 103 CO 0.05 0.29 -0.34 1.49 -1.51 0.00 0.00 179.97 179.95 1shz h GLU 104 N -0.28 -0.93 -0.91 0.20 4.81 -1.21 -2.26 114.58 114.01 1shz h GLU 104 Ca 0.00 0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.42 1shz h GLU 104 Cb 0.29 0.21 -0.09 0.00 0.63 0.00 0.00 28.75 29.79 1shz h GLU 104 CO 0.00 -0.59 0.52 -0.22 -0.73 0.00 0.00 179.01 177.99 1shz h LYS 105 N -1.08 0.77 0.00 1.92 1.63 -1.17 -0.97 116.57 117.67 1shz h LYS 105 Ca -0.10 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1shz h LYS 105 Cb 0.76 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 1shz h LYS 105 CO 0.16 0.51 0.00 1.28 -3.45 0.00 0.00 179.45 177.95 1shz n LEU 106 N -4.75 0.00 -2.24 5.20 4.77 -0.04 -4.91 117.00 115.03 1shz n LEU 106 Ca 0.17 0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 56.25 1shz n LEU 106 Cb 0.39 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1shz n LEU 106 CO 0.24 -0.00 0.05 1.41 -1.33 0.00 0.00 177.39 177.76 1shz n HIS 107 N -1.25 -1.51 -2.99 -1.77 8.25 -0.37 -4.99 115.22 110.60 1shz n HIS 107 Ca 0.15 0.45 -0.41 0.00 -0.26 0.00 0.00 57.72 57.66 1shz n HIS 107 Cb 0.22 -3.46 -0.05 0.00 1.12 0.00 0.00 29.99 27.82 1shz n HIS 107 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1shz s ILE 108 N -3.04 4.93 0.59 1.59 1.01 -0.87 -5.03 121.20 120.38 1shz s ILE 108 Ca 0.26 1.42 -0.19 0.00 0.00 0.00 0.00 60.65 62.14 1shz s ILE 108 Cb -0.12 -4.05 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 1shz s ILE 108 CO 0.32 0.04 1.04 -2.65 0.00 0.00 0.00 174.94 173.70 1shz n PRO 109 N 5.34 1.03 -2.95 2.79 -0.02 -1.26 -4.77 135.00 135.17 1shz n PRO 109 Ca 0.02 0.39 -0.40 0.00 -2.02 0.00 0.00 63.50 61.50 1shz n PRO 109 Cb 0.49 -2.24 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1shz n PRO 109 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1shz s TRP 110 N -1.46 3.86 0.33 6.00 -0.11 -1.26 -4.49 118.94 121.80 1shz s TRP 110 Ca 0.75 1.62 0.19 0.00 1.22 0.00 0.00 56.10 59.88 1shz s TRP 110 Cb -0.42 -2.82 0.92 0.00 -1.50 0.00 0.00 33.47 29.65 1shz s TRP 110 CO 0.47 0.42 1.87 0.78 -4.62 0.00 0.00 176.95 175.88 1shz h GLY 111 N 4.78 0.00 -6.43 5.86 0.00 -1.90 -3.40 103.07 101.98 1shz h GLY 111 Ca -0.46 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.65 1shz h GLY 111 CO 0.68 0.00 -0.55 -0.35 0.00 0.00 0.00 176.54 176.31 1shz s ASP 112 N -6.57 0.76 0.63 0.19 -1.08 -1.26 -4.90 116.67 104.44 1shz s ASP 112 Ca -0.02 -0.33 0.22 0.00 -0.52 0.00 0.00 52.55 51.90 1shz s ASP 112 Cb 0.13 0.91 1.04 0.00 -1.46 0.00 0.00 42.92 43.54 1shz s ASP 112 CO 0.67 -0.35 1.56 0.78 0.52 0.00 0.00 175.17 178.35 1shz h ASN 113 N 8.20 0.00 -0.60 -0.34 4.21 -2.01 0.32 115.58 125.37 1shz h ASN 113 Ca -0.13 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.38 1shz h ASN 113 Cb 1.12 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.29 1shz h ASN 113 CO 0.29 0.00 0.39 0.50 -1.29 0.00 0.00 177.43 177.32 1shz h LYS 114 N 0.00 0.79 0.00 0.81 3.64 -1.97 -2.78 116.57 117.06 1shz h LYS 114 Ca 0.16 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1shz h LYS 114 Cb 1.61 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1shz h LYS 114 CO -0.00 0.53 0.07 0.09 -2.27 0.00 0.00 179.45 177.87 1shz n ASN 115 N -4.66 0.07 -0.26 4.20 3.02 0.11 -2.89 115.26 114.85 1shz n ASN 115 Ca 0.04 0.47 0.17 0.00 -0.03 0.00 0.00 54.58 55.23 1shz n ASN 115 Cb 0.02 -0.47 0.46 0.00 -0.61 0.00 0.00 39.78 39.18 1shz n ASN 115 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1shz h GLN 116 N 0.00 0.49 0.00 3.52 1.08 -1.66 0.46 115.11 119.00 1shz h GLN 116 Ca 0.00 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1shz h GLN 116 Cb 0.14 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 1shz h GLN 116 CO 0.00 0.32 -0.29 -0.07 -0.95 0.00 0.00 178.83 177.84 1shz h LEU 117 N 0.50 0.00 0.32 1.46 4.07 -1.80 -1.55 115.31 118.32 1shz h LEU 117 Ca 0.47 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.42 1shz h LEU 117 Cb 1.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.78 1shz h LEU 117 CO -0.20 0.29 -0.15 0.45 -1.08 0.00 0.00 178.44 177.74 1shz h HIS 118 N 0.00 -0.40 -0.74 1.13 3.86 -0.35 -1.35 115.15 117.30 1shz h HIS 118 Ca -0.00 -0.01 0.21 0.00 -1.16 0.00 0.00 60.37 59.41 1shz h HIS 118 Cb 0.58 0.13 -0.03 0.00 1.06 0.00 0.00 27.41 29.15 1shz h HIS 118 CO 0.00 -0.23 0.54 0.78 0.86 0.00 0.00 177.93 179.88 1shz h GLY 119 N -1.11 0.00 1.65 2.45 0.00 -1.32 0.46 103.07 105.20 1shz h GLY 119 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1shz h GLY 119 CO 0.07 0.00 -0.43 -0.55 0.00 0.00 0.00 176.54 175.64 1shz h ASP 120 N 0.00 0.00 0.14 0.19 3.32 -1.29 -2.25 116.42 116.53 1shz h ASP 120 Ca 0.35 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.16 1shz h ASP 120 Cb 1.43 0.00 0.03 0.00 0.22 0.00 0.00 39.33 41.01 1shz h ASP 120 CO -0.00 0.08 -1.02 0.50 -1.72 0.00 0.00 179.24 177.07 1shz h LYS 121 N 0.00 0.45 -0.58 3.56 3.64 0.10 -3.07 116.57 120.68 1shz h LYS 121 Ca -0.01 -0.67 -0.08 0.00 -1.27 0.00 0.00 60.65 58.63 1shz h LYS 121 Cb 1.07 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 1shz h LYS 121 CO 0.01 1.30 0.05 -0.07 -2.27 0.00 0.00 179.45 178.46 1shz h LEU 122 N -0.07 0.92 -1.92 5.20 3.38 -1.20 -2.44 115.31 119.19 1shz h LEU 122 Ca -0.17 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1shz h LEU 122 Cb 1.77 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 1shz h LEU 122 CO 0.19 0.96 -0.02 0.24 0.09 0.00 0.00 178.44 179.90 1shz h MET 123 N 0.90 0.00 -0.02 1.13 2.86 -1.46 -1.38 114.93 116.96 1shz h MET 123 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1shz h MET 123 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1shz h MET 123 CO 0.02 0.02 0.00 0.00 1.06 0.00 0.00 176.91 178.00 1shz n ALA 124 N -2.10 2.60 -2.10 6.32 0.00 -0.92 -4.82 120.51 119.48 1shz n ALA 124 Ca -0.01 -0.18 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 1shz n ALA 124 Cb 0.24 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 1shz n ALA 124 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1shz s PHE 125 N -1.97 2.12 -0.50 0.00 5.36 -0.52 -4.92 117.98 117.54 1shz s PHE 125 Ca 0.29 0.47 -0.27 0.00 -0.96 0.00 0.00 56.93 56.46 1shz s PHE 125 Cb 0.14 -3.91 -0.02 0.00 -0.34 0.00 0.00 43.02 38.88 1shz s PHE 125 CO 0.22 -3.15 1.87 0.34 -1.46 0.00 0.00 175.22 173.04 1shz s ASP 126 N 3.79 5.44 0.02 6.13 -1.08 -1.26 -4.81 116.67 124.90 1shz s ASP 126 Ca 0.71 0.72 0.26 0.00 -0.52 0.00 0.00 52.55 53.72 1shz s ASP 126 Cb -0.28 -2.53 0.68 0.00 -1.46 0.00 0.00 42.92 39.34 1shz s ASP 126 CO 0.28 -2.17 1.55 1.07 0.52 0.00 0.00 175.17 176.42 1shz n THR 127 N 7.33 0.06 1.20 1.71 5.66 -1.26 -3.83 114.28 125.16 1shz n THR 127 Ca 0.22 -0.04 0.13 0.00 -3.05 0.00 0.00 64.05 61.31 1shz n THR 127 Cb 0.50 -0.01 0.34 0.00 -1.55 0.00 0.00 70.33 69.62 1shz n THR 127 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1shz n ARG 128 N -1.59 0.74 -1.75 1.09 1.74 -1.26 -3.67 116.66 111.97 1shz n ARG 128 Ca 0.06 -0.45 -0.40 0.00 -0.77 0.00 0.00 57.85 56.28 1shz n ARG 128 Cb 0.35 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.31 1shz n ARG 128 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1shz n ALA 129 N -0.74 1.92 -0.36 7.54 0.00 -1.25 -4.63 120.51 123.00 1shz n ALA 129 Ca 0.11 0.26 0.06 0.00 0.00 0.00 0.00 53.44 53.88 1shz n ALA 129 Cb 0.35 -2.37 0.14 0.00 0.00 0.00 0.00 19.45 17.57 1shz n ALA 129 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1shz n PRO 130 N -0.07 -0.09 0.08 0.00 -0.02 -1.26 0.67 135.00 134.31 1shz n PRO 130 Ca 0.05 1.55 -0.14 0.00 -2.02 0.00 0.00 63.50 62.94 1shz n PRO 130 Cb 0.41 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 1shz n PRO 130 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 1shz h MET 131 N 0.00 0.37 0.00 -0.52 2.86 -1.90 -3.19 114.93 112.55 1shz h MET 131 Ca 0.48 -0.43 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1shz h MET 131 Cb 0.74 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1shz h MET 131 CO -1.02 1.12 -0.03 0.00 1.06 0.00 0.00 176.91 178.04 1shz h ALA 132 N 0.73 0.99 0.00 6.32 0.00 -1.10 -1.61 119.26 124.59 1shz h ALA 132 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1shz h ALA 132 Cb 1.65 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 1shz h ALA 132 CO 0.17 0.00 -1.07 0.00 0.00 0.00 0.00 179.25 178.34 1shz h ALA 133 N 2.15 0.42 -0.22 0.00 0.00 0.20 -3.17 119.26 118.64 1shz h ALA 133 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1shz h ALA 133 Cb 0.92 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1shz h ALA 133 CO 0.00 1.27 0.00 1.04 0.00 0.00 0.00 179.25 181.56 1shz n GLN 134 N -3.30 1.61 -2.06 0.00 3.00 -1.21 -4.90 117.38 110.52 1shz n GLN 134 Ca -0.02 -0.94 0.00 0.00 -0.01 0.00 0.00 57.00 56.03 1shz n GLN 134 Cb 0.95 -1.28 0.00 0.00 0.00 0.00 0.00 30.24 29.91 1shz n GLN 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1shz n GLY 135 N 0.99 0.66 2.94 1.08 0.00 -1.20 -5.09 105.19 104.58 1shz n GLY 135 Ca 0.12 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 1shz n GLY 135 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1shz s MET 136 N -4.08 0.22 -0.11 1.61 -1.94 -0.61 -4.19 119.30 110.20 1shz s MET 136 Ca 0.00 -0.38 -0.04 0.00 -1.71 0.00 0.00 55.69 53.56 1shz s MET 136 Cb 0.00 0.01 0.06 0.00 2.01 0.00 0.00 34.83 36.91 1shz s MET 136 CO 0.00 -0.02 0.21 0.08 -0.01 0.00 0.00 175.02 175.29 1shz s VAL 137 N -0.85 -0.34 0.62 -6.03 1.01 -0.77 -3.26 120.40 110.77 1shz s VAL 137 Ca -0.09 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 1shz s VAL 137 Cb -0.06 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 1shz s VAL 137 CO -0.00 0.11 1.13 -1.83 0.00 0.00 0.00 175.10 174.51 1shz s GLU 138 N 2.36 2.98 0.29 2.72 1.03 -1.26 -4.38 118.70 122.44 1shz s GLU 138 Ca 0.02 1.51 0.04 0.00 0.03 0.00 0.00 54.97 56.58 1shz s GLU 138 Cb -0.12 -1.96 0.66 0.00 -0.80 0.00 0.00 34.13 31.90 1shz s GLU 138 CO -0.07 -1.13 1.81 1.15 -1.33 0.00 0.00 175.26 175.68 1shz h THR 139 N 0.49 0.81 0.69 1.83 2.02 -1.96 -0.81 112.91 115.96 1shz h THR 139 Ca -0.48 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.37 1shz h THR 139 Cb 1.26 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1shz h THR 139 CO 0.55 0.16 -0.43 -0.09 0.37 0.00 0.00 175.52 176.08 1shz h ARG 140 N 0.87 -1.01 0.00 6.66 1.12 -1.98 -0.03 114.38 120.01 1shz h ARG 140 Ca 0.54 0.07 -0.02 0.00 -1.11 0.00 0.00 59.98 59.46 1shz h ARG 140 Cb 0.71 0.23 -0.00 0.00 -0.01 0.00 0.00 29.97 30.90 1shz h ARG 140 CO -0.32 -0.68 -0.12 -0.24 -3.11 0.00 0.00 179.97 175.50 1shz h VAL 141 N -1.05 0.62 -0.21 0.20 3.04 -1.83 -2.25 116.25 114.76 1shz h VAL 141 Ca -0.09 -0.50 -0.13 0.00 -1.01 0.00 0.00 66.70 64.97 1shz h VAL 141 Cb 0.85 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.43 1shz h VAL 141 CO 0.09 0.11 -0.43 0.15 -1.01 0.00 0.00 177.57 176.48 1shz h PHE 142 N 0.00 0.62 0.00 3.17 3.57 -0.32 -2.98 116.94 120.99 1shz h PHE 142 Ca -0.00 -0.18 -0.13 0.00 3.53 0.00 0.00 57.97 61.19 1shz h PHE 142 Cb 0.30 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1shz h PHE 142 CO 0.00 0.86 -0.62 -0.07 -2.23 0.00 0.00 178.31 176.25 1shz h LEU 143 N 0.42 0.00 -0.19 0.59 4.07 -0.43 -1.91 115.31 117.86 1shz h LEU 143 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1shz h LEU 143 Cb 0.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1shz h LEU 143 CO 0.08 0.62 0.00 0.00 -1.08 0.00 0.00 178.44 178.06 1shz n GLN 144 N -3.57 0.04 0.00 1.13 6.02 -1.10 -2.30 117.38 117.60 1shz n GLN 144 Ca -0.00 0.33 0.01 0.00 -0.01 0.00 0.00 57.00 57.33 1shz n GLN 144 Cb 0.67 -1.59 -0.00 0.00 1.02 0.00 0.00 30.24 30.33 1shz n GLN 144 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1shz n TYR 145 N -1.67 0.00 -0.27 1.08 4.02 -1.10 -4.76 117.16 114.45 1shz n TYR 145 Ca 0.03 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.98 1shz n TYR 145 Cb 0.15 0.00 0.20 0.00 -0.02 0.00 0.00 39.34 39.68 1shz n TYR 145 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1shz h LEU 146 N 0.03 0.39 -0.71 7.72 5.85 -0.93 -2.42 115.31 125.24 1shz h LEU 146 Ca 0.00 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1shz h LEU 146 Cb 0.03 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1shz h LEU 146 CO 0.00 0.15 0.33 -0.65 -0.34 0.00 0.00 178.44 177.94 1shz h PRO 147 N 0.52 1.03 -0.59 5.25 0.11 -1.86 -0.85 132.00 135.61 1shz h PRO 147 Ca 0.43 -0.16 -0.07 0.00 0.11 0.00 0.00 66.00 66.32 1shz h PRO 147 Cb 0.64 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1shz h PRO 147 CO -0.38 0.82 0.10 0.00 -0.21 0.00 0.00 178.00 178.32 1shz h ALA 148 N 1.16 0.78 -0.38 -0.75 0.00 -1.79 -1.67 119.26 116.61 1shz h ALA 148 Ca 0.24 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1shz h ALA 148 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1shz h ALA 148 CO -0.03 0.53 -0.29 0.82 0.00 0.00 0.00 179.25 180.28 1shz h ILE 149 N 0.87 1.28 -0.76 0.00 2.04 -1.30 -0.91 117.51 118.73 1shz h ILE 149 Ca 0.18 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 64.56 1shz h ILE 149 Cb 0.41 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 1shz h ILE 149 CO 0.01 0.48 0.37 -0.09 0.00 0.00 0.00 178.15 178.92 1shz h ARG 150 N 0.67 1.09 -0.09 2.37 2.43 -1.02 -0.58 114.38 119.25 1shz h ARG 150 Ca 0.07 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 58.97 1shz h ARG 150 Cb 0.87 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1shz h ARG 150 CO 0.08 0.84 -0.42 0.00 -1.51 0.00 0.00 179.97 178.96 1shz h ALA 151 N 1.32 0.18 -0.59 2.80 0.00 -1.22 -3.16 119.26 118.59 1shz h ALA 151 Ca 0.26 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1shz h ALA 151 Cb 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1shz h ALA 151 CO -0.03 0.30 0.26 -0.07 0.00 0.00 0.00 179.25 179.70 1shz h LEU 152 N 0.01 0.76 -1.73 0.00 3.38 -1.01 -1.06 115.31 115.66 1shz h LEU 152 Ca -0.03 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1shz h LEU 152 Cb 1.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1shz h LEU 152 CO 0.09 0.67 -0.17 -0.25 0.09 0.00 0.00 178.44 178.87 1shz h TRP 153 N 0.83 0.00 0.39 1.13 -0.00 -1.15 -2.87 115.95 114.29 1shz h TRP 153 Ca 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 59.07 1shz h TRP 153 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.29 1shz h TRP 153 CO 0.01 0.17 -0.19 0.93 -0.00 0.00 0.00 178.44 179.36 1shz h GLU 154 N 0.00 -0.50 -4.38 2.65 4.39 -1.19 -3.44 114.58 112.11 1shz h GLU 154 Ca -0.00 0.03 -0.63 0.00 0.34 0.00 0.00 59.36 59.10 1shz h GLU 154 Cb 0.41 0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1shz h GLU 154 CO 0.02 -0.32 0.40 -3.47 -1.16 0.00 0.00 179.01 174.48 1shz n ASP 155 N -5.12 0.68 0.17 1.42 2.03 -0.73 -4.78 116.55 110.22 1shz n ASP 155 Ca -0.07 0.86 0.13 0.00 0.52 0.00 0.00 54.79 56.23 1shz n ASP 155 Cb 0.21 -0.65 0.60 0.00 -0.72 0.00 0.00 41.12 40.57 1shz n ASP 155 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1shz h SER 156 N 3.32 0.00 0.19 1.67 4.64 -1.87 -2.83 113.55 118.65 1shz h SER 156 Ca -0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1shz h SER 156 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1shz h SER 156 CO 0.66 0.00 -0.09 1.23 -0.87 0.00 0.00 176.83 177.76 1shz h GLY 157 N 1.04 -0.26 1.55 -0.77 0.00 -1.86 -1.65 103.07 101.12 1shz h GLY 157 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1shz h GLY 157 CO 0.00 -0.09 -0.07 -2.22 0.00 0.00 0.00 176.54 174.15 1shz h ILE 158 N -0.59 1.22 -0.61 2.60 5.03 -1.74 -2.71 117.51 120.70 1shz h ILE 158 Ca -0.03 -0.95 0.04 0.00 -0.12 0.00 0.00 64.86 63.80 1shz h ILE 158 Cb 0.44 1.05 -0.04 0.00 -3.03 0.00 0.00 36.82 35.24 1shz h ILE 158 CO 0.04 0.32 0.36 1.56 -0.68 0.00 0.00 178.15 179.75 1shz h GLN 159 N 0.51 0.68 -0.25 2.37 1.08 -1.39 -0.69 115.11 117.42 1shz h GLN 159 Ca 0.10 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 1shz h GLN 159 Cb 0.44 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1shz h GLN 159 CO 0.02 0.45 -0.11 -0.91 -0.95 0.00 0.00 178.83 177.33 1shz h ASN 160 N 0.70 0.39 -0.25 1.46 -0.26 -1.04 -2.48 115.58 114.09 1shz h ASN 160 Ca 0.25 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 1shz h ASN 160 Cb 0.07 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.21 1shz h ASN 160 CO -0.12 0.54 0.11 0.00 -1.06 0.00 0.00 177.43 176.90 1shz h ALA 161 N 1.51 0.33 0.00 -0.83 0.00 -0.96 -2.14 119.26 117.16 1shz h ALA 161 Ca 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1shz h ALA 161 Cb 0.43 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1shz h ALA 161 CO 0.02 -0.10 -0.07 -0.92 0.00 0.00 0.00 179.25 178.18 1shz h TYR 162 N 0.27 0.00 0.00 0.00 3.20 -0.82 -2.06 116.97 117.56 1shz h TYR 162 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1shz h TYR 162 Cb 0.14 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1shz h TYR 162 CO -0.02 0.07 0.00 -0.44 -1.64 0.00 0.00 178.16 176.14 1shz h ASP 163 N 0.00 0.00 -0.52 -2.11 3.32 -0.95 -3.20 116.42 112.97 1shz h ASP 163 Ca -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 1shz h ASP 163 Cb 0.16 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.51 1shz h ASP 163 CO 0.01 0.00 -0.12 0.54 -1.72 0.00 0.00 179.24 177.95 1shz n ARG 164 N -2.66 2.31 0.00 3.56 1.74 -0.78 -4.73 116.66 116.10 1shz n ARG 164 Ca 0.03 -3.42 0.04 0.00 -0.77 0.00 0.00 57.85 53.74 1shz n ARG 164 Cb 0.38 -1.97 0.23 0.00 -1.02 0.00 0.00 32.46 30.08 1shz n ARG 164 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1shz n ARG 165 N -1.02 0.13 0.00 5.56 1.85 -1.21 -1.81 116.66 120.17 1shz n ARG 165 Ca 0.39 0.20 0.12 0.00 -1.00 0.00 0.00 57.85 57.56 1shz n ARG 165 Cb 0.99 -1.50 0.72 0.00 -1.05 0.00 0.00 32.46 31.61 1shz n ARG 165 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 1shz n ARG 166 N -1.28 0.86 -0.12 2.89 -4.01 -1.26 -2.52 116.66 111.22 1shz n ARG 166 Ca 0.04 0.00 0.05 0.00 -1.04 0.00 0.00 57.85 56.90 1shz n ARG 166 Cb 0.07 -1.44 0.12 0.00 -3.04 0.00 0.00 32.46 28.17 1shz n ARG 166 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1shz n GLU 167 N -0.94 2.22 -3.54 2.89 1.02 -0.75 -4.72 120.64 116.82 1shz n GLU 167 Ca 0.18 -1.77 -0.11 0.00 -0.02 0.00 0.00 57.16 55.44 1shz n GLU 167 Cb 0.08 -1.24 -0.04 0.00 -0.02 0.00 0.00 31.44 30.23 1shz n GLU 167 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1shz s PHE 168 N -0.96 -0.42 -0.54 -0.32 -0.12 -1.05 -5.13 117.98 109.44 1shz s PHE 168 Ca 0.19 0.58 -0.27 0.00 -0.05 0.00 0.00 56.93 57.37 1shz s PHE 168 Cb 0.10 0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 42.96 1shz s PHE 168 CO 0.14 -0.48 1.66 -0.65 -0.05 0.00 0.00 175.22 175.84 1shz s GLN 169 N -1.88 3.04 -0.03 1.99 -1.52 -1.26 -4.84 119.66 115.17 1shz s GLN 169 Ca -0.01 0.69 -0.01 0.00 -1.95 0.00 0.00 55.36 54.08 1shz s GLN 169 Cb -0.01 -4.24 0.03 0.00 -0.22 0.00 0.00 33.01 28.57 1shz s GLN 169 CO -0.01 -2.24 0.04 -1.17 -0.25 0.00 0.00 175.29 171.66 1shz s LEU 170 N 7.39 0.69 -0.85 2.90 2.96 -1.26 -5.05 118.68 125.45 1shz s LEU 170 Ca 0.63 0.05 -0.25 0.00 -0.22 0.00 0.00 54.13 54.34 1shz s LEU 170 Cb -0.14 -0.12 -0.06 0.00 0.50 0.00 0.00 46.19 46.37 1shz s LEU 170 CO 0.25 -0.18 2.03 -0.83 -1.32 0.00 0.00 176.35 176.30 1shz s GLY 171 N 1.55 -0.02 0.61 7.98 0.00 -1.26 -4.80 107.32 111.38 1shz s GLY 171 Ca -0.03 -1.29 0.08 0.00 0.00 0.00 0.00 44.72 43.48 1shz s GLY 171 CO -0.03 3.63 1.22 1.05 0.00 0.00 0.00 173.10 178.97 1shz h GLU 172 N 11.96 0.00 0.00 2.90 9.09 -2.00 0.69 114.58 137.22 1shz h GLU 172 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.46 1shz h GLU 172 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 1shz h GLU 172 CO 1.17 0.00 0.00 0.45 0.05 0.00 0.00 179.01 180.68 1shz n SER 173 N -2.50 0.00 0.04 3.06 2.88 -1.26 -2.24 113.62 113.60 1shz n SER 173 Ca -0.01 0.31 -0.10 0.00 -1.33 0.00 0.00 58.87 57.75 1shz n SER 173 Cb 0.79 -0.39 0.04 0.00 -0.75 0.00 0.00 64.21 63.90 1shz n SER 173 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1shz h VAL 174 N 0.00 1.36 -0.39 2.46 -1.51 0.05 -3.16 116.25 115.06 1shz h VAL 174 Ca 0.00 -2.01 0.06 0.00 -1.23 0.00 0.00 66.70 63.51 1shz h VAL 174 Cb 0.16 1.99 -0.05 0.00 -2.13 0.00 0.00 31.29 31.27 1shz h VAL 174 CO 0.00 0.61 0.10 0.50 -1.23 0.00 0.00 177.57 177.56 1shz h LYS 175 N 0.32 0.24 -1.03 5.19 3.64 -1.66 -1.04 116.57 122.24 1shz h LYS 175 Ca -0.02 -0.01 0.26 0.00 -1.27 0.00 0.00 60.65 59.61 1shz h LYS 175 Cb 1.23 -0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 32.88 1shz h LYS 175 CO 0.12 0.16 0.63 -0.92 -2.27 0.00 0.00 179.45 177.16 1shz h TYR 176 N 0.25 0.88 0.07 1.91 3.20 -1.71 -0.33 116.97 121.23 1shz h TYR 176 Ca 0.19 0.03 -0.27 0.00 3.14 0.00 0.00 58.73 61.81 1shz h TYR 176 Cb 0.20 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1shz h TYR 176 CO -0.18 0.05 -1.38 0.74 -1.64 0.00 0.00 178.16 175.76 1shz h PHE 177 N 0.50 0.26 0.00 -3.82 0.04 -1.43 -3.12 116.94 109.36 1shz h PHE 177 Ca 0.64 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 61.21 1shz h PHE 177 Cb 1.37 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.51 1shz h PHE 177 CO -0.01 1.20 -0.06 -0.07 -0.60 0.00 0.00 178.31 178.78 1shz h LEU 178 N 0.04 0.00 0.01 1.54 3.38 0.16 -2.33 115.31 118.10 1shz h LEU 178 Ca -0.17 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 1shz h LEU 178 Cb 1.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.68 1shz h LEU 178 CO 0.14 0.06 -0.58 0.44 0.09 0.00 0.00 178.44 178.59 1shz h ASP 179 N 0.00 0.04 -0.27 -0.43 3.32 -1.32 -3.31 116.42 114.45 1shz h ASP 179 Ca -0.00 -0.80 -0.19 0.00 0.02 0.00 0.00 57.03 56.06 1shz h ASP 179 Cb 0.29 -0.01 -0.08 0.00 0.22 0.00 0.00 39.33 39.75 1shz h ASP 179 CO 0.01 1.23 0.15 0.59 -1.72 0.00 0.00 179.24 179.50 1shz n ASN 180 N -4.49 5.86 0.25 6.45 3.02 -1.07 -4.34 115.26 120.94 1shz n ASN 180 Ca -0.19 -2.74 0.14 0.00 -0.03 0.00 0.00 54.58 51.76 1shz n ASN 180 Cb 0.59 -1.14 0.54 0.00 -0.61 0.00 0.00 39.78 39.16 1shz n ASN 180 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1shz h LEU 181 N 3.11 0.00 -0.28 3.41 5.85 -1.52 -3.13 115.31 122.75 1shz h LEU 181 Ca 0.16 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.68 1shz h LEU 181 Cb 1.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1shz h LEU 181 CO 0.39 0.07 -0.70 0.44 -0.34 0.00 0.00 178.44 178.30 1shz h ASP 182 N 0.00 0.82 1.09 1.25 5.19 -1.88 -3.04 116.42 119.85 1shz h ASP 182 Ca -0.00 -0.51 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 1shz h ASP 182 Cb 0.66 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.93 1shz h ASP 182 CO 0.01 1.29 0.00 0.07 -3.12 0.00 0.00 179.24 177.49 1shz h LYS 183 N 0.50 0.00 0.00 3.56 2.10 -1.91 -2.82 116.57 118.00 1shz h LYS 183 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1shz h LYS 183 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1shz h LYS 183 CO 0.14 0.00 -0.86 -0.07 -2.00 0.00 0.00 179.45 176.66 1shz h LEU 184 N 0.00 0.00 -1.07 7.07 4.07 -1.57 -3.35 115.31 120.46 1shz h LEU 184 Ca 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 1shz h LEU 184 Cb 0.55 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.28 1shz h LEU 184 CO 0.00 0.04 -0.06 1.23 -1.08 0.00 0.00 178.44 178.57 1shz h GLY 185 N 4.19 0.00 -3.67 0.83 0.00 -1.38 -3.46 103.07 99.57 1shz h GLY 185 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1shz h GLY 185 CO 0.00 0.00 0.54 3.33 0.00 0.00 0.00 176.54 180.41 1shz n VAL 186 N -3.16 2.56 -0.08 4.60 0.24 -1.25 -4.92 118.33 116.31 1shz n VAL 186 Ca 0.01 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.72 1shz n VAL 186 Cb 0.39 -1.63 -0.03 0.00 -1.47 0.00 0.00 33.84 31.10 1shz n VAL 186 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1shz h PRO 187 N 2.16 -0.31 -3.37 7.34 0.11 -1.95 -3.26 132.00 132.72 1shz h PRO 187 Ca -0.48 0.02 -0.72 0.00 0.11 0.00 0.00 66.00 64.93 1shz h PRO 187 Cb 1.29 0.07 -0.34 0.00 0.11 0.00 0.00 31.00 32.13 1shz h PRO 187 CO 0.60 -0.21 -0.06 -0.51 -0.21 0.00 0.00 178.00 177.62 1shz s ASP 188 N -5.02 6.09 -0.16 -2.05 1.01 -1.26 -5.05 116.67 110.24 1shz s ASP 188 Ca -0.15 -3.63 -0.23 0.00 0.71 0.00 0.00 52.55 49.25 1shz s ASP 188 Cb 0.12 -1.94 -0.02 0.00 1.01 0.00 0.00 42.92 42.09 1shz s ASP 188 CO 0.66 -0.21 0.73 -0.47 0.21 0.00 0.00 175.17 176.09 1shz s TYR 189 N -1.23 3.44 -0.30 4.23 5.04 -1.23 -5.04 117.35 122.27 1shz s TYR 189 Ca 0.27 1.14 -0.03 0.00 -2.44 0.00 0.00 57.07 56.00 1shz s TYR 189 Cb -0.08 -2.89 0.04 0.00 0.35 0.00 0.00 41.96 39.37 1shz s TYR 189 CO -0.11 -0.14 0.02 0.42 -1.34 0.00 0.00 175.55 174.40 1shz s ILE 190 N 1.75 3.26 0.32 3.14 1.01 -1.26 -4.92 121.20 124.49 1shz s ILE 190 Ca 0.35 -1.17 -0.28 0.00 0.00 0.00 0.00 60.65 59.55 1shz s ILE 190 Cb -0.17 -2.80 -0.13 0.00 0.01 0.00 0.00 42.46 39.38 1shz s ILE 190 CO 0.13 -0.04 1.08 -2.65 0.00 0.00 0.00 174.94 173.47 1shz n PRO 191 N 4.70 1.56 -2.11 2.79 -0.02 -1.26 -4.99 135.00 135.67 1shz n PRO 191 Ca -0.14 0.55 -0.27 0.00 -2.02 0.00 0.00 63.50 61.62 1shz n PRO 191 Cb 0.45 -1.99 0.09 0.00 -0.02 0.00 0.00 33.50 32.03 1shz n PRO 191 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1shz s SER 192 N -0.51 4.48 0.27 2.55 1.04 -1.26 -4.89 113.70 115.38 1shz s SER 192 Ca 0.58 0.46 -0.04 0.00 0.48 0.00 0.00 55.95 57.43 1shz s SER 192 Cb -0.65 -0.98 0.34 0.00 0.10 0.00 0.00 66.02 64.84 1shz s SER 192 CO 0.60 -1.85 1.93 1.56 0.98 0.00 0.00 173.24 176.47 1shz h GLN 193 N -0.85 1.18 -0.34 4.02 1.08 -1.96 -2.36 115.11 115.88 1shz h GLN 193 Ca -0.44 -0.09 -0.09 0.00 -1.45 0.00 0.00 58.65 56.57 1shz h GLN 193 Cb 1.31 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 28.46 1shz h GLN 193 CO 0.58 0.81 -0.18 1.96 -0.95 0.00 0.00 178.83 181.05 1shz h GLN 194 N 1.21 0.62 -0.28 1.46 1.08 -1.98 -2.99 115.11 114.23 1shz h GLN 194 Ca 0.32 -0.22 -0.14 0.00 -1.45 0.00 0.00 58.65 57.16 1shz h GLN 194 Cb -0.09 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1shz h GLN 194 CO -0.06 0.77 -0.41 -0.44 -0.95 0.00 0.00 178.83 177.73 1shz h ASP 195 N 0.56 0.72 0.21 1.46 3.32 -1.80 -2.82 116.42 118.07 1shz h ASP 195 Ca 0.09 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 56.77 1shz h ASP 195 Cb 0.62 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1shz h ASP 195 CO 0.04 1.04 -0.17 0.40 -1.72 0.00 0.00 179.24 178.84 1shz h ILE 196 N 0.55 1.01 -0.06 0.35 2.04 -1.32 -0.36 117.51 119.73 1shz h ILE 196 Ca 0.04 -0.61 -0.15 0.00 1.00 0.00 0.00 64.86 65.14 1shz h ILE 196 Cb 0.95 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1shz h ILE 196 CO 0.09 0.17 -0.65 -0.07 0.00 0.00 0.00 178.15 177.69 1shz h LEU 197 N 0.00 0.28 0.00 1.44 3.38 -1.37 -3.23 115.31 115.81 1shz h LEU 197 Ca -0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1shz h LEU 197 Cb 0.32 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1shz h LEU 197 CO 0.02 0.85 -0.88 -0.07 0.09 0.00 0.00 178.44 178.45 1shz h LEU 198 N 0.17 0.00 -9.10 1.67 4.07 -1.31 -3.45 115.31 107.36 1shz h LEU 198 Ca -0.01 -0.01 -0.58 0.00 0.08 0.00 0.00 57.88 57.36 1shz h LEU 198 Cb 1.17 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.92 1shz h LEU 198 CO 0.10 0.01 1.36 0.00 -1.08 0.00 0.00 178.44 178.83 1shz n ALA 199 N -2.16 1.57 -2.11 1.53 0.00 -0.21 -4.93 120.51 114.21 1shz n ALA 199 Ca 0.01 -0.03 -0.40 0.00 0.00 0.00 0.00 53.44 53.02 1shz n ALA 199 Cb 0.54 -2.77 -0.05 0.00 0.00 0.00 0.00 19.45 17.17 1shz n ALA 199 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1shz s ARG 200 N 5.48 4.69 -0.26 0.00 6.06 -1.26 -5.02 118.95 128.64 1shz s ARG 200 Ca 0.97 1.37 -0.01 0.00 -2.50 0.00 0.00 55.73 55.56 1shz s ARG 200 Cb -0.45 -3.33 0.14 0.00 0.06 0.00 0.00 34.95 31.37 1shz s ARG 200 CO 0.40 0.35 0.36 0.50 -2.50 0.00 0.00 175.30 174.41 1shz s ARG 201 N -0.47 0.35 -0.11 5.12 3.52 -1.26 -4.96 118.95 121.14 1shz s ARG 201 Ca 0.43 0.23 -0.35 0.00 -0.13 0.00 0.00 55.73 55.90 1shz s ARG 201 Cb -0.24 -0.53 -0.13 0.00 -1.56 0.00 0.00 34.95 32.50 1shz s ARG 201 CO 0.29 -0.85 1.83 -0.35 -0.81 0.00 0.00 175.30 175.40 1shz n PRO 202 N 5.35 1.95 -3.36 5.12 -0.04 -1.26 -4.95 135.00 137.80 1shz n PRO 202 Ca -0.02 0.71 -0.38 0.00 -0.04 0.00 0.00 63.50 63.77 1shz n PRO 202 Cb 0.49 -2.52 -0.07 0.00 -0.04 0.00 0.00 33.50 31.37 1shz n PRO 202 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1shz s THR 203 N 3.72 5.20 -0.04 0.52 2.01 -1.26 -5.07 115.64 120.71 1shz s THR 203 Ca 0.93 0.81 0.05 0.00 0.31 0.00 0.00 61.69 63.79 1shz s THR 203 Cb -0.77 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 67.97 1shz s THR 203 CO 0.54 0.29 -0.19 -0.54 -0.69 0.00 0.00 174.62 174.03 1shz s LYS 204 N 0.95 1.90 1.00 4.92 -0.14 -1.26 -4.35 119.74 122.76 1shz s LYS 204 Ca 0.22 -0.67 0.00 0.00 -1.36 0.00 0.00 55.97 54.16 1shz s LYS 204 Cb -0.15 -1.66 0.00 0.00 -1.68 0.00 0.00 37.83 34.34 1shz s LYS 204 CO 0.08 0.29 0.00 0.41 -0.76 0.00 0.00 175.35 175.37 1shz n GLY 205 N 3.05 -1.98 3.57 -3.33 0.00 -1.26 -4.90 105.19 100.34 1shz n GLY 205 Ca -0.18 -1.50 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 1shz n GLY 205 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1shz s ILE 206 N 0.00 3.50 -0.12 -0.61 1.09 -1.26 -3.25 121.20 120.55 1shz s ILE 206 Ca 0.00 -0.82 0.00 0.00 -1.10 0.00 0.00 60.65 58.73 1shz s ILE 206 Cb 0.00 -2.50 0.02 0.00 -1.06 0.00 0.00 42.46 38.92 1shz s ILE 206 CO 0.00 0.40 -0.10 -1.00 -0.10 0.00 0.00 174.94 174.14 1shz s HIS 207 N -0.97 1.68 -0.06 3.97 3.76 -0.81 -4.98 115.29 117.87 1shz s HIS 207 Ca 0.16 -0.86 -0.14 0.00 -0.15 0.00 0.00 55.06 54.07 1shz s HIS 207 Cb -0.11 -1.32 -0.05 0.00 1.11 0.00 0.00 32.58 32.21 1shz s HIS 207 CO 0.07 -0.54 0.36 -2.00 -0.85 0.00 0.00 174.74 171.78 1shz s GLU 208 N 1.56 4.00 -0.01 1.40 2.12 -1.26 -2.04 118.70 124.47 1shz s GLU 208 Ca 0.03 0.29 0.05 0.00 0.36 0.00 0.00 54.97 55.70 1shz s GLU 208 Cb -0.13 -3.29 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 1shz s GLU 208 CO -0.08 0.53 -0.16 0.99 -0.54 0.00 0.00 175.26 176.00 1shz s THR 209 N -0.49 1.24 -0.27 -1.70 2.01 0.30 -5.00 115.64 111.73 1shz s THR 209 Ca 0.21 -0.70 0.02 0.00 0.31 0.00 0.00 61.69 61.53 1shz s THR 209 Cb -0.15 -1.04 0.07 0.00 0.01 0.00 0.00 72.50 71.39 1shz s THR 209 CO 0.10 0.33 -0.02 -1.00 -0.69 0.00 0.00 174.62 173.33 1shz s HIS 210 N -0.41 2.72 0.05 4.92 3.76 -1.26 -1.15 115.29 123.92 1shz s HIS 210 Ca 0.06 -2.10 0.04 0.00 -0.15 0.00 0.00 55.06 52.92 1shz s HIS 210 Cb -0.06 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.68 1shz s HIS 210 CO -0.00 -0.84 -0.13 -0.59 -0.85 0.00 0.00 174.74 172.33 1shz s PHE 211 N 1.28 1.09 -0.04 1.40 -0.71 -1.14 -5.00 117.98 114.85 1shz s PHE 211 Ca -0.01 -0.40 -0.03 0.00 -1.04 0.00 0.00 56.93 55.45 1shz s PHE 211 Cb -0.19 -0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 40.95 1shz s PHE 211 CO -0.09 0.02 0.15 0.99 -1.34 0.00 0.00 175.22 174.95 1shz s THR 212 N -1.05 5.31 -0.29 -4.49 2.01 -1.26 -1.65 115.64 114.22 1shz s THR 212 Ca -0.02 -0.10 -0.14 0.00 0.31 0.00 0.00 61.69 61.73 1shz s THR 212 Cb -0.09 -3.43 0.13 0.00 0.01 0.00 0.00 72.50 69.13 1shz s THR 212 CO 0.01 0.41 0.83 0.12 -0.69 0.00 0.00 174.62 175.31 1shz s PHE 213 N -1.22 -0.89 -1.34 4.92 5.36 -0.86 -4.93 117.98 119.03 1shz s PHE 213 Ca 0.23 1.67 -0.07 0.00 -0.96 0.00 0.00 56.93 57.81 1shz s PHE 213 Cb -0.12 0.54 0.02 0.00 -0.34 0.00 0.00 43.02 43.11 1shz s PHE 213 CO 0.14 -0.44 1.08 1.63 -1.46 0.00 0.00 175.22 176.16 1shz n LYS 214 N 4.52 -7.09 -1.43 10.12 5.02 -1.26 -2.16 118.16 125.89 1shz n LYS 214 Ca -0.15 0.79 -0.15 0.00 -2.02 0.00 0.00 58.31 56.78 1shz n LYS 214 Cb 0.55 -5.78 -0.06 0.00 -0.02 0.00 0.00 35.03 29.72 1shz n LYS 214 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1shz n ASP 215 N -3.03 -5.08 -4.45 4.39 10.43 -1.26 -4.99 116.55 112.57 1shz n ASP 215 Ca -0.09 0.36 -0.32 0.00 2.57 0.00 0.00 54.79 57.31 1shz n ASP 215 Cb 0.59 -3.87 -0.14 0.00 1.84 0.00 0.00 41.12 39.55 1shz n ASP 215 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1shz s LEU 216 N -3.34 2.60 -0.57 0.64 1.43 -0.92 -4.92 118.68 113.60 1shz s LEU 216 Ca 0.00 -0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 52.68 1shz s LEU 216 Cb 0.00 -1.51 0.12 0.00 0.03 0.00 0.00 46.19 44.83 1shz s LEU 216 CO 0.00 0.34 0.59 -1.00 0.23 0.00 0.00 176.35 176.51 1shz s HIS 217 N -0.72 3.18 -0.05 0.29 3.76 -0.09 -2.02 115.29 119.64 1shz s HIS 217 Ca 0.11 -1.20 -0.30 0.00 -0.15 0.00 0.00 55.06 53.52 1shz s HIS 217 Cb -0.10 -3.88 -0.02 0.00 1.11 0.00 0.00 32.58 29.68 1shz s HIS 217 CO 0.00 -1.12 1.05 -0.06 -0.85 0.00 0.00 174.74 173.76 1shz s PHE 218 N 1.94 3.49 -0.59 1.40 0.08 -0.66 -1.67 117.98 121.97 1shz s PHE 218 Ca 0.07 1.53 -0.02 0.00 0.12 0.00 0.00 56.93 58.62 1shz s PHE 218 Cb -0.27 -3.23 0.15 0.00 -0.57 0.00 0.00 43.02 39.10 1shz s PHE 218 CO 0.04 -0.46 0.40 0.15 -0.10 0.00 0.00 175.22 175.25 1shz s LYS 219 N 1.69 2.46 -0.08 0.44 -0.14 0.14 -2.89 119.74 121.35 1shz s LYS 219 Ca 0.52 -2.44 -0.12 0.00 -1.36 0.00 0.00 55.97 52.57 1shz s LYS 219 Cb -0.21 -3.69 -0.05 0.00 -1.68 0.00 0.00 37.83 32.20 1shz s LYS 219 CO 0.22 -1.16 0.29 1.41 -0.76 0.00 0.00 175.35 175.35 1shz s MET 220 N 0.08 3.85 -0.13 1.68 1.75 -0.30 -0.64 119.30 125.60 1shz s MET 220 Ca 0.16 0.14 0.02 0.00 -1.25 0.00 0.00 55.69 54.76 1shz s MET 220 Cb -0.21 -3.27 0.01 0.00 2.84 0.00 0.00 34.83 34.21 1shz s MET 220 CO -0.03 0.60 -0.18 -0.06 -0.65 0.00 0.00 175.02 174.69 1shz s PHE 221 N -0.63 2.30 -0.20 4.11 0.40 -0.64 -0.54 117.98 122.77 1shz s PHE 221 Ca 0.19 -1.17 -0.06 0.00 -0.60 0.00 0.00 56.93 55.28 1shz s PHE 221 Cb -0.14 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 1shz s PHE 221 CO 0.08 -0.58 0.04 0.34 0.70 0.00 0.00 175.22 175.80 1shz s ASP 222 N 1.02 5.23 0.36 1.36 2.15 -0.86 -1.70 116.67 124.23 1shz s ASP 222 Ca -0.04 -0.08 0.09 0.00 0.43 0.00 0.00 52.55 52.95 1shz s ASP 222 Cb -0.15 -1.90 -0.07 0.00 -0.30 0.00 0.00 42.92 40.51 1shz s ASP 222 CO -0.04 0.10 -0.05 0.68 -0.17 0.00 0.00 175.17 175.69 1shz s VAL 223 N 0.81 2.24 0.55 1.11 -7.23 -1.25 -1.92 120.40 114.71 1shz s VAL 223 Ca 0.02 -2.12 -0.18 0.00 -1.81 0.00 0.00 61.98 57.89 1shz s VAL 223 Cb -0.14 -2.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.00 1shz s VAL 223 CO 0.02 -0.15 1.06 -0.83 -0.31 0.00 0.00 175.10 174.89 1shz s GLY 224 N -3.65 2.33 -0.14 2.32 0.00 -1.20 -4.97 107.32 102.02 1shz s GLY 224 Ca 0.34 0.54 0.18 0.00 0.00 0.00 0.00 44.72 45.77 1shz s GLY 224 CO 0.17 0.87 0.25 0.61 0.00 0.00 0.00 173.10 175.00 1shz n GLY 225 N -0.53 -1.02 3.70 0.20 0.00 -1.26 -4.56 105.19 101.72 1shz n GLY 225 Ca 0.09 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1shz n GLY 225 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1shz s GLN 226 N -2.69 1.63 0.21 1.61 1.11 -1.26 -3.50 119.66 116.76 1shz s GLN 226 Ca -0.09 1.70 -0.10 0.00 0.01 0.00 0.00 55.36 56.88 1shz s GLN 226 Cb 0.08 -1.78 0.29 0.00 -1.01 0.00 0.00 33.01 30.59 1shz s GLN 226 CO 0.84 -2.21 1.70 0.00 0.01 0.00 0.00 175.29 175.63 1shz h ARG 227 N -0.99 0.25 0.00 2.91 3.08 -2.00 0.51 114.38 118.14 1shz h ARG 227 Ca -0.46 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.58 1shz h ARG 227 Cb 1.29 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1shz h ARG 227 CO 0.46 0.16 0.00 -1.13 -1.07 0.00 0.00 179.97 178.40 1shz n SER 228 N -5.13 0.00 -0.05 7.04 3.41 -1.26 -2.33 113.62 115.30 1shz n SER 228 Ca 0.09 -0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1shz n SER 228 Cb 0.32 -0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 63.91 1shz n SER 228 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1shz n GLU 229 N -1.22 0.84 0.30 4.33 -0.58 0.12 -4.49 120.64 119.95 1shz n GLU 229 Ca 0.07 -0.09 0.15 0.00 -0.42 0.00 0.00 57.16 56.87 1shz n GLU 229 Cb 0.09 -1.46 0.91 0.00 -0.57 0.00 0.00 31.44 30.42 1shz n GLU 229 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1shz h ARG 230 N 0.00 0.00 -0.06 3.49 3.08 -1.03 -2.58 114.38 117.29 1shz h ARG 230 Ca -0.25 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.82 1shz h ARG 230 Cb 1.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.55 1shz h ARG 230 CO 0.01 0.01 0.05 1.57 -1.07 0.00 0.00 179.97 180.54 1shz h LYS 231 N 0.00 0.00 -0.36 0.04 2.10 -1.79 -1.33 116.57 115.23 1shz h LYS 231 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1shz h LYS 231 Cb 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 1shz h LYS 231 CO 0.00 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.08 1shz n LYS 232 N -4.28 1.67 -0.07 0.07 5.02 -0.97 -4.14 118.16 115.45 1shz n LYS 232 Ca -0.02 -0.85 -0.14 0.00 -2.02 0.00 0.00 58.31 55.29 1shz n LYS 232 Cb 0.15 -1.29 -0.11 0.00 -0.02 0.00 0.00 35.03 33.75 1shz n LYS 232 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1shz h TRP 233 N 1.31 0.00 -1.12 2.13 4.06 -1.42 -3.35 115.95 117.55 1shz h TRP 233 Ca 0.00 0.00 0.31 0.00 2.06 0.00 0.00 58.89 61.26 1shz h TRP 233 Cb 0.44 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.53 1shz h TRP 233 CO 0.19 0.97 0.77 0.74 -3.56 0.00 0.00 178.44 177.55 1shz h PHE 234 N -1.00 0.28 0.00 0.49 0.04 -1.76 -0.47 116.94 114.51 1shz h PHE 234 Ca -0.07 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1shz h PHE 234 Cb 0.94 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 39.02 1shz h PHE 234 CO 0.20 0.01 0.35 0.93 -0.60 0.00 0.00 178.31 179.21 1shz h GLU 235 N 0.16 0.00 -0.08 1.51 3.07 -1.83 -2.39 114.58 115.01 1shz h GLU 235 Ca 0.58 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.28 1shz h GLU 235 Cb 1.96 0.00 -0.31 0.00 -0.84 0.00 0.00 28.75 29.56 1shz h GLU 235 CO -0.14 0.00 -0.92 0.00 -1.40 0.00 0.00 179.01 176.55 1shz n PHE 237 N -0.03 0.08 -3.73 0.00 3.01 -0.90 -4.85 117.46 111.03 1shz n PHE 237 Ca 0.11 -0.04 -0.35 0.00 1.01 0.00 0.00 57.45 58.17 1shz n PHE 237 Cb 1.00 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.39 1shz n PHE 237 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1shz s GLU 238 N -1.92 4.16 -0.16 -1.08 -1.05 -1.26 -4.38 118.70 113.01 1shz s GLU 238 Ca 0.33 -0.21 -0.01 0.00 -0.15 0.00 0.00 54.97 54.94 1shz s GLU 238 Cb 0.17 -3.41 0.00 0.00 -0.44 0.00 0.00 34.13 30.45 1shz s GLU 238 CO 0.27 0.32 0.12 0.41 0.95 0.00 0.00 175.26 177.33 1shz n GLY 239 N 3.46 0.73 3.45 -3.83 0.00 -1.26 -5.01 105.19 102.73 1shz n GLY 239 Ca -0.16 -0.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.83 1shz n GLY 239 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1shz s VAL 240 N -2.94 4.85 0.08 1.61 1.01 -1.26 -4.42 120.40 119.33 1shz s VAL 240 Ca 0.06 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 1shz s VAL 240 Cb -0.03 -4.30 -0.14 0.00 0.00 0.00 0.00 36.38 31.91 1shz s VAL 240 CO 0.08 -0.81 1.68 0.74 0.00 0.00 0.00 175.10 176.78 1shz h THR 241 N 5.87 1.08 -3.73 3.92 2.02 -1.49 -3.43 112.91 117.15 1shz h THR 241 Ca -0.27 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 1shz h THR 241 Cb 1.09 1.12 -0.12 0.00 -1.74 0.00 0.00 68.15 68.51 1shz h THR 241 CO 0.97 0.06 -0.22 0.00 0.37 0.00 0.00 175.52 176.70 1shz s ALA 242 N -5.87 -0.23 -0.07 6.16 0.00 -1.20 -1.41 121.76 119.15 1shz s ALA 242 Ca -0.13 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 1shz s ALA 242 Cb 0.06 0.89 0.03 0.00 0.00 0.00 0.00 23.12 24.10 1shz s ALA 242 CO 0.67 -0.71 -0.01 0.42 0.00 0.00 0.00 175.76 176.14 1shz s ILE 243 N -3.96 0.41 -0.46 0.00 1.01 0.90 -2.22 121.20 116.89 1shz s ILE 243 Ca 0.16 0.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.72 1shz s ILE 243 Cb 0.02 -0.54 0.05 0.00 0.01 0.00 0.00 42.46 42.00 1shz s ILE 243 CO 0.01 0.25 0.42 -0.63 0.00 0.00 0.00 174.94 174.99 1shz s ILE 244 N 1.73 5.16 -0.39 2.92 1.01 0.17 -0.06 121.20 131.73 1shz s ILE 244 Ca 0.01 -0.80 -0.18 0.00 0.00 0.00 0.00 60.65 59.69 1shz s ILE 244 Cb -0.13 -4.11 0.01 0.00 0.01 0.00 0.00 42.46 38.25 1shz s ILE 244 CO -0.04 -0.55 0.47 0.12 0.00 0.00 0.00 174.94 174.94 1shz s PHE 245 N 1.88 3.16 0.40 3.97 5.36 0.98 -1.37 117.98 132.36 1shz s PHE 245 Ca 0.07 -0.12 -0.14 0.00 -0.96 0.00 0.00 56.93 55.78 1shz s PHE 245 Cb -0.21 -2.93 -0.08 0.00 -0.34 0.00 0.00 43.02 39.46 1shz s PHE 245 CO 0.09 -0.64 0.82 0.00 -1.46 0.00 0.00 175.22 174.03 1shz s VAL 247 N -2.28 -0.00 -0.42 0.00 1.01 -0.43 -4.41 120.40 113.87 1shz s VAL 247 Ca 0.55 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 1shz s VAL 247 Cb -0.10 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1shz s VAL 247 CO 0.25 0.01 0.56 0.00 0.00 0.00 0.00 175.10 175.91 1shz s ALA 248 N 0.34 3.39 0.08 5.51 0.00 -1.26 0.16 121.76 129.98 1shz s ALA 248 Ca -0.01 -1.27 -0.35 0.00 0.00 0.00 0.00 51.96 50.33 1shz s ALA 248 Cb -0.03 -3.17 -0.18 0.00 0.00 0.00 0.00 23.12 19.74 1shz s ALA 248 CO -0.01 -1.62 1.54 -0.07 0.00 0.00 0.00 175.76 175.60 1shz h LEU 249 N 9.39 -1.29 -7.80 0.00 3.38 -1.20 -3.27 115.31 114.52 1shz h LEU 249 Ca -0.26 0.09 -0.35 0.00 0.09 0.00 0.00 57.88 57.45 1shz h LEU 249 Cb 1.11 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 1shz h LEU 249 CO 0.84 -0.69 1.16 -1.54 0.09 0.00 0.00 178.44 178.30 1shz n SER 250 N -5.46 2.88 0.00 -0.43 3.41 -1.25 -3.46 113.62 109.31 1shz n SER 250 Ca -0.13 -2.68 0.00 0.00 -0.26 0.00 0.00 58.87 55.80 1shz n SER 250 Cb 0.47 -1.65 0.00 0.00 -0.26 0.00 0.00 64.21 62.76 1shz n SER 250 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1shz n ASP 251 N 13.88 0.00 0.00 4.04 9.92 -1.23 -4.94 116.55 138.22 1shz n ASP 251 Ca 0.45 -0.96 0.14 0.00 -0.53 0.00 0.00 54.79 53.89 1shz n ASP 251 Cb 0.46 0.00 0.75 0.00 -0.64 0.00 0.00 41.12 41.69 1shz n ASP 251 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1shz n TYR 252 N 0.00 0.00 0.00 1.24 0.18 -1.22 -3.31 117.16 114.04 1shz n TYR 252 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 1shz n TYR 252 Cb 0.41 -0.19 0.00 0.00 -0.38 0.00 0.00 39.34 39.18 1shz n TYR 252 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 1shz n ASP 253 N -1.19 1.17 -4.84 9.48 5.68 -1.26 -3.86 116.55 121.73 1shz n ASP 253 Ca 0.16 -0.37 -0.23 0.00 -0.50 0.00 0.00 54.79 53.84 1shz n ASP 253 Cb 0.18 0.98 0.07 0.00 -1.14 0.00 0.00 41.12 41.21 1shz n ASP 253 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1shz s GLN 254 N -1.21 2.12 0.42 0.11 -0.21 -1.21 -4.95 119.66 114.73 1shz s GLN 254 Ca 0.00 -0.70 0.06 0.00 0.02 0.00 0.00 55.36 54.74 1shz s GLN 254 Cb 0.00 -2.32 -0.07 0.00 1.00 0.00 0.00 33.01 31.62 1shz s GLN 254 CO 0.00 -1.14 0.01 0.14 -2.12 0.00 0.00 175.29 172.18 1shz s VAL 255 N -3.06 1.76 0.65 1.09 -7.23 -1.26 -2.52 120.40 109.83 1shz s VAL 255 Ca 0.61 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.63 1shz s VAL 255 Cb -0.09 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 1shz s VAL 255 CO 0.42 0.00 1.11 -0.76 -0.31 0.00 0.00 175.10 175.56 1shz s LEU 256 N -3.72 3.41 -0.01 1.32 1.43 -0.44 -4.70 118.68 115.98 1shz s LEU 256 Ca 0.29 1.98 -0.19 0.00 -1.03 0.00 0.00 54.13 55.19 1shz s LEU 256 Cb 0.08 -4.55 -0.11 0.00 0.03 0.00 0.00 46.19 41.65 1shz s LEU 256 CO 0.15 -1.57 0.87 -0.03 0.23 0.00 0.00 176.35 175.99 1shz h MET 257 N 0.10 -0.67 0.36 1.70 1.85 -1.99 -3.29 114.93 113.00 1shz h MET 257 Ca -0.47 0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 58.65 1shz h MET 257 Cb 1.24 0.15 0.00 0.00 0.43 0.00 0.00 31.60 33.43 1shz h MET 257 CO 0.54 -0.44 -0.17 1.05 -0.40 0.00 0.00 176.91 177.49 1shz h GLU 258 N -1.06 -0.47 -3.62 0.39 9.09 -2.01 -3.36 114.58 113.54 1shz h GLU 258 Ca -0.07 0.03 -0.75 0.00 0.05 0.00 0.00 59.36 58.62 1shz h GLU 258 Cb 0.53 0.11 -0.30 0.00 -1.65 0.00 0.00 28.75 27.43 1shz h GLU 258 CO 0.12 -0.30 0.00 0.34 0.05 0.00 0.00 179.01 179.21 1shz s ASP 259 N -4.77 6.31 0.00 3.06 -1.08 -1.26 -4.95 116.67 113.98 1shz s ASP 259 Ca -0.15 -3.08 0.00 0.00 -0.52 0.00 0.00 52.55 48.80 1shz s ASP 259 Cb 0.04 -2.06 0.00 0.00 -1.46 0.00 0.00 42.92 39.44 1shz s ASP 259 CO 0.64 -0.40 0.00 0.54 0.52 0.00 0.00 175.17 176.47 1shz n ARG 260 N 3.33 0.00 0.00 4.34 5.12 -1.24 -2.29 116.66 125.92 1shz n ARG 260 Ca 0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 1shz n ARG 260 Cb 0.41 -1.12 0.00 0.00 -1.16 0.00 0.00 32.46 30.59 1shz n ARG 260 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1shz n GLN 261 N 0.80 3.63 -2.81 5.56 10.64 -1.26 -4.89 117.38 129.04 1shz n GLN 261 Ca 0.00 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.78 1shz n GLN 261 Cb 0.00 -0.45 -0.06 0.00 -0.86 0.00 0.00 30.24 28.87 1shz n GLN 261 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1shz s THR 262 N -0.32 4.19 0.02 -0.39 2.01 -0.97 -4.90 115.64 115.27 1shz s THR 262 Ca 0.00 1.89 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 1shz s THR 262 Cb 0.00 -4.16 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1shz s THR 262 CO 0.00 0.35 1.17 0.21 -0.69 0.00 0.00 174.62 175.66 1shz s ASN 263 N -1.37 7.11 0.46 3.53 3.84 -1.26 -1.32 114.94 125.92 1shz s ASN 263 Ca 0.44 1.91 0.16 0.00 0.21 0.00 0.00 52.86 55.58 1shz s ASN 263 Cb -0.22 -2.57 1.11 0.00 -0.55 0.00 0.00 41.25 39.01 1shz s ASN 263 CO 0.27 -0.48 2.00 0.03 -2.79 0.00 0.00 177.10 176.13 1shz h ARG 264 N 7.00 0.30 -0.13 0.43 3.08 -1.63 -0.94 114.38 122.50 1shz h ARG 264 Ca -0.39 -0.02 -0.22 0.00 0.07 0.00 0.00 59.98 59.42 1shz h ARG 264 Cb 1.20 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 31.19 1shz h ARG 264 CO 0.82 0.20 -0.80 1.98 -1.07 0.00 0.00 179.97 181.11 1shz h MET 265 N 0.31 0.72 -0.78 0.04 4.05 -1.83 -3.01 114.93 114.43 1shz h MET 265 Ca 0.25 -0.61 0.04 0.00 -0.28 0.00 0.00 59.70 59.11 1shz h MET 265 Cb 0.57 0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 31.45 1shz h MET 265 CO -0.06 1.22 0.48 0.45 0.23 0.00 0.00 176.91 179.23 1shz h HIS 266 N 0.49 0.90 0.53 1.39 3.86 -1.54 -2.29 115.15 118.49 1shz h HIS 266 Ca -0.06 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1shz h HIS 266 Cb 1.42 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 1shz h HIS 266 CO 0.08 0.48 -0.42 0.93 0.86 0.00 0.00 177.93 179.86 1shz h GLU 267 N 0.91 -0.89 -0.90 2.45 4.39 -1.36 -2.75 114.58 116.44 1shz h GLU 267 Ca 0.33 0.06 0.27 0.00 0.34 0.00 0.00 59.36 60.35 1shz h GLU 267 Cb 0.09 0.20 -0.17 0.00 -0.10 0.00 0.00 28.75 28.77 1shz h GLU 267 CO -0.14 -0.59 0.08 0.43 -1.16 0.00 0.00 179.01 177.63 1shz n SER 268 N -5.01 -0.05 0.28 1.42 7.64 -1.05 0.75 113.62 117.59 1shz n SER 268 Ca -0.11 1.53 -0.11 0.00 1.01 0.00 0.00 58.87 61.19 1shz n SER 268 Cb 0.40 -0.58 -0.05 0.00 -1.01 0.00 0.00 64.21 62.97 1shz n SER 268 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1shz h MET 269 N 0.00 -0.69 -0.81 1.43 2.86 -1.14 0.35 114.93 116.93 1shz h MET 269 Ca 0.58 0.05 0.15 0.00 -2.06 0.00 0.00 59.70 58.41 1shz h MET 269 Cb 1.25 0.16 -0.06 0.00 0.06 0.00 0.00 31.60 33.01 1shz h MET 269 CO -0.83 -0.46 0.53 0.87 1.06 0.00 0.00 176.91 178.08 1shz h LYS 270 N -0.82 0.51 -0.22 1.72 1.57 -1.05 0.45 116.57 118.74 1shz h LYS 270 Ca -0.07 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1shz h LYS 270 Cb 0.55 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1shz h LYS 270 CO 0.12 0.34 -0.05 1.25 -0.57 0.00 0.00 179.45 180.54 1shz h LEU 271 N 0.53 0.42 -0.51 2.94 5.85 0.46 -2.61 115.31 122.39 1shz h LEU 271 Ca 0.40 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1shz h LEU 271 Cb 0.80 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1shz h LEU 271 CO -0.15 0.68 0.12 0.15 -0.34 0.00 0.00 178.44 178.90 1shz h PHE 272 N 0.14 0.86 0.06 1.25 3.57 0.10 -2.98 116.94 119.95 1shz h PHE 272 Ca 0.05 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.47 1shz h PHE 272 Cb 0.50 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 1shz h PHE 272 CO 0.05 0.77 -0.43 0.22 -2.23 0.00 0.00 178.31 176.69 1shz h ASP 273 N 0.71 -1.28 -0.20 0.41 3.58 -0.12 0.99 116.42 120.50 1shz h ASP 273 Ca 0.16 0.15 0.06 0.00 0.42 0.00 0.00 57.03 57.81 1shz h ASP 273 Cb 0.35 0.49 -0.07 0.00 1.72 0.00 0.00 39.33 41.82 1shz h ASP 273 CO 0.00 -0.48 -0.31 -1.28 -2.88 0.00 0.00 179.24 174.29 1shz h SER 274 N -0.62 -0.99 0.24 2.28 0.87 -1.40 -2.53 113.55 111.39 1shz h SER 274 Ca 0.03 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1shz h SER 274 Cb 0.67 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1shz h SER 274 CO -0.28 -0.34 -0.12 0.40 -0.53 0.00 0.00 176.83 175.96 1shz h ILE 275 N -0.35 0.80 -0.80 2.23 5.03 -1.36 -3.20 117.51 119.86 1shz h ILE 275 Ca 0.12 -0.21 0.19 0.00 -0.12 0.00 0.00 64.86 64.84 1shz h ILE 275 Cb 0.53 0.92 -0.14 0.00 -3.03 0.00 0.00 36.82 35.10 1shz h ILE 275 CO -0.40 0.05 -0.01 0.00 -0.68 0.00 0.00 178.15 177.11 1shz n ASN 277 N -5.39 5.91 -4.69 0.00 3.02 -0.97 -4.93 115.26 108.22 1shz n ASN 277 Ca 0.15 -3.40 -0.36 0.00 -0.03 0.00 0.00 54.58 50.94 1shz n ASN 277 Cb 0.52 -0.93 -0.09 0.00 -0.61 0.00 0.00 39.78 38.67 1shz n ASN 277 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1shz s ASN 278 N -0.90 6.14 0.62 6.41 3.84 -0.73 -4.96 114.94 125.36 1shz s ASN 278 Ca 0.48 0.16 0.32 0.00 0.21 0.00 0.00 52.86 54.03 1shz s ASN 278 Cb 0.39 -2.10 1.81 0.00 -0.55 0.00 0.00 41.25 40.80 1shz s ASN 278 CO 0.03 0.11 2.13 0.11 -2.79 0.00 0.00 177.10 176.69 1shz h LYS 279 N 7.15 0.00 0.00 0.43 1.79 -1.91 -0.45 116.57 123.58 1shz h LYS 279 Ca -0.39 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.07 1shz h LYS 279 Cb 1.16 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1shz h LYS 279 CO 0.70 0.00 -0.02 -1.49 -1.08 0.00 0.00 179.45 177.56 1shz h TRP 280 N 0.00 0.00 -0.29 -1.35 4.06 -1.93 -2.21 115.95 114.24 1shz h TRP 280 Ca 0.05 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.89 1shz h TRP 280 Cb 0.42 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.51 1shz h TRP 280 CO 0.00 0.02 -0.06 1.19 -3.56 0.00 0.00 178.44 176.03 1shz n PHE 281 N -3.81 0.93 -0.25 0.49 3.72 -0.18 -4.69 117.46 113.66 1shz n PHE 281 Ca -0.03 -1.35 0.06 0.00 -0.05 0.00 0.00 57.45 56.08 1shz n PHE 281 Cb 0.11 -0.41 0.30 0.00 -0.94 0.00 0.00 39.48 38.54 1shz n PHE 281 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1shz h THR 282 N 1.14 1.02 -2.08 4.37 1.35 -1.44 -2.61 112.91 114.66 1shz h THR 282 Ca 0.14 -0.31 -0.60 0.00 -0.55 0.00 0.00 66.41 65.09 1shz h THR 282 Cb 1.53 0.05 -0.41 0.00 -1.73 0.00 0.00 68.15 67.59 1shz h THR 282 CO 0.30 0.16 -0.55 0.47 -0.25 0.00 0.00 175.52 175.65 1shz n ASP 283 N -4.49 4.74 -3.85 5.36 8.00 -1.26 -4.97 116.55 120.07 1shz n ASP 283 Ca 0.13 -3.70 -0.17 0.00 0.71 0.00 0.00 54.79 51.76 1shz n ASP 283 Cb 0.24 -0.57 -0.16 0.00 -0.02 0.00 0.00 41.12 40.61 1shz n ASP 283 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1shz s THR 284 N -4.76 0.25 -0.11 -3.53 2.01 -0.98 -4.93 115.64 103.60 1shz s THR 284 Ca 0.48 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.19 1shz s THR 284 Cb 0.31 -0.31 -0.04 0.00 0.01 0.00 0.00 72.50 72.47 1shz s THR 284 CO -0.16 0.14 1.57 -0.44 -0.69 0.00 0.00 174.62 175.05 1shz s SER 285 N 0.77 6.66 -0.36 3.53 0.01 -0.50 -4.88 113.70 118.93 1shz s SER 285 Ca -0.08 2.01 -0.10 0.00 1.31 0.00 0.00 55.95 59.09 1shz s SER 285 Cb -0.11 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.61 1shz s SER 285 CO -0.01 -0.96 0.19 -0.63 0.41 0.00 0.00 173.24 172.23 1shz s ILE 286 N 4.18 4.48 -0.12 1.44 1.01 -1.26 -0.07 121.20 130.86 1shz s ILE 286 Ca 0.70 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 1shz s ILE 286 Cb -0.29 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 1shz s ILE 286 CO 0.27 -0.18 -0.11 -0.63 0.00 0.00 0.00 174.94 174.28 1shz s ILE 287 N 1.54 3.25 -0.24 2.92 1.09 0.91 -2.35 121.20 128.33 1shz s ILE 287 Ca 0.02 -0.60 -0.06 0.00 -1.10 0.00 0.00 60.65 58.91 1shz s ILE 287 Cb -0.19 -2.36 -0.02 0.00 -1.06 0.00 0.00 42.46 38.83 1shz s ILE 287 CO 0.06 0.53 0.03 -0.22 -0.10 0.00 0.00 174.94 175.24 1shz s LEU 288 N 0.13 3.27 -0.20 2.97 2.96 -0.79 -0.01 118.68 127.01 1shz s LEU 288 Ca -0.05 -0.26 -0.09 0.00 -0.22 0.00 0.00 54.13 53.51 1shz s LEU 288 Cb -0.15 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 1shz s LEU 288 CO 0.04 -0.02 0.11 -0.36 -1.32 0.00 0.00 176.35 174.81 1shz s PHE 289 N 1.51 3.33 -1.01 5.38 0.40 0.44 -1.75 117.98 126.28 1shz s PHE 289 Ca 0.06 0.20 -0.09 0.00 -0.60 0.00 0.00 56.93 56.50 1shz s PHE 289 Cb -0.15 -2.16 0.25 0.00 0.51 0.00 0.00 43.02 41.48 1shz s PHE 289 CO 0.01 0.18 0.98 -0.51 0.70 0.00 0.00 175.22 176.58 1shz s LEU 290 N 0.54 6.27 1.02 -0.37 1.43 0.16 -1.31 118.68 126.41 1shz s LEU 290 Ca 0.06 -3.43 -0.12 0.00 -1.03 0.00 0.00 54.13 49.61 1shz s LEU 290 Cb -0.12 -2.15 0.20 0.00 0.03 0.00 0.00 46.19 44.15 1shz s LEU 290 CO 0.00 -0.33 1.09 0.21 0.23 0.00 0.00 176.35 177.56 1shz s ASN 291 N 1.23 2.45 -1.22 2.29 2.47 0.12 -2.39 114.94 119.89 1shz s ASN 291 Ca 0.27 1.19 -0.01 0.00 0.42 0.00 0.00 52.86 54.73 1shz s ASN 291 Cb -0.10 -1.86 -0.01 0.00 -1.45 0.00 0.00 41.25 37.83 1shz s ASN 291 CO -0.09 -3.24 0.89 0.29 -3.72 0.00 0.00 177.10 171.23 1shz n LYS 292 N -4.25 -5.49 -0.01 0.43 4.01 -1.23 -0.84 118.16 110.78 1shz n LYS 292 Ca 0.05 0.77 -0.18 0.00 -0.51 0.00 0.00 58.31 58.44 1shz n LYS 292 Cb 0.57 -5.60 -0.09 0.00 -0.51 0.00 0.00 35.03 29.41 1shz n LYS 292 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 1shz h LYS 293 N -1.81 0.65 -0.25 1.97 2.10 -1.72 -1.78 116.57 115.73 1shz h LYS 293 Ca -0.60 -0.59 0.03 0.00 -2.00 0.00 0.00 60.65 57.49 1shz h LYS 293 Cb 1.34 0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 32.79 1shz h LYS 293 CO 0.51 1.20 0.08 0.38 -2.00 0.00 0.00 179.45 179.63 1shz h ASP 294 N 0.30 0.09 -0.30 7.07 2.03 -1.91 0.23 116.42 123.93 1shz h ASP 294 Ca -0.07 0.03 -0.03 0.00 -0.73 0.00 0.00 57.03 56.23 1shz h ASP 294 Cb 1.40 0.02 -0.01 0.00 -0.83 0.00 0.00 39.33 39.90 1shz h ASP 294 CO 0.15 0.09 0.09 -0.07 -1.03 0.00 0.00 179.24 178.47 1shz h LEU 295 N 0.20 0.45 -0.90 0.15 3.38 -1.96 -2.64 115.31 113.99 1shz h LEU 295 Ca 0.11 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.95 1shz h LEU 295 Cb 0.08 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 1shz h LEU 295 CO -0.11 0.54 0.56 0.15 0.09 0.00 0.00 178.44 179.66 1shz h PHE 296 N 0.33 1.02 -0.47 1.13 3.57 -0.89 -0.24 116.94 121.39 1shz h PHE 296 Ca 0.10 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.71 1shz h PHE 296 Cb 0.26 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 38.61 1shz h PHE 296 CO 0.01 0.47 0.09 0.93 -2.23 0.00 0.00 178.31 177.58 1shz h GLU 297 N 0.96 0.21 0.00 1.11 5.08 -0.20 -0.73 114.58 121.02 1shz h GLU 297 Ca 0.41 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1shz h GLU 297 Cb 0.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1shz h GLU 297 CO -0.21 0.14 -0.13 0.93 -1.00 0.00 0.00 179.01 178.75 1shz h GLU 298 N 0.22 0.00 0.00 2.33 3.07 -1.30 -3.35 114.58 115.56 1shz h GLU 298 Ca 0.23 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.07 1shz h GLU 298 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1shz h GLU 298 CO -0.31 0.00 -0.08 -0.22 -1.40 0.00 0.00 179.01 177.00 1shz h LYS 299 N 0.00 0.05 -0.10 2.33 1.63 0.35 -3.18 116.57 117.66 1shz h LYS 299 Ca 0.00 -0.06 0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1shz h LYS 299 Cb 0.76 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1shz h LYS 299 CO 0.00 0.84 0.40 -0.84 -3.45 0.00 0.00 179.45 176.40 1shz h ILE 300 N -0.71 0.08 0.15 2.00 3.07 -1.38 -2.57 117.51 118.16 1shz h ILE 300 Ca -0.01 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.40 1shz h ILE 300 Cb 0.86 0.62 -0.02 0.00 -0.27 0.00 0.00 36.82 38.02 1shz h ILE 300 CO 0.02 0.00 -0.25 0.11 -1.05 0.00 0.00 178.15 176.97 1shz h LYS 301 N 0.00 -0.41 0.00 0.16 1.57 -1.73 -3.40 116.57 112.76 1shz h LYS 301 Ca 0.05 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1shz h LYS 301 Cb 0.85 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1shz h LYS 301 CO -0.00 -0.27 0.00 1.17 -0.57 0.00 0.00 179.45 179.78 1shz n LYS 302 N -3.87 0.00 -2.18 3.15 0.00 -0.98 -4.84 118.16 109.45 1shz n LYS 302 Ca -0.05 0.30 -0.43 0.00 0.00 0.00 0.00 58.31 58.13 1shz n LYS 302 Cb 0.21 -0.78 -0.02 0.00 0.00 0.00 0.00 35.03 34.44 1shz n LYS 302 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1shz s SER 303 N -3.00 6.40 0.56 3.14 0.15 -1.17 -4.99 113.70 114.79 1shz s SER 303 Ca 0.00 1.46 -0.18 0.00 0.70 0.00 0.00 55.95 57.93 1shz s SER 303 Cb 0.00 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1shz s SER 303 CO 0.00 -1.27 1.09 -2.16 1.20 0.00 0.00 173.24 172.10 1shz s PRO 304 N 4.67 3.34 0.00 5.44 0.04 -1.26 -4.31 135.00 142.92 1shz s PRO 304 Ca 0.68 1.41 0.12 0.00 0.04 0.00 0.00 61.00 63.26 1shz s PRO 304 Cb -0.22 -2.02 0.70 0.00 0.04 0.00 0.00 34.50 32.99 1shz s PRO 304 CO 0.29 -0.82 1.21 -0.11 0.04 0.00 0.00 177.00 177.60 1shz n LEU 305 N -1.62 0.00 0.08 -3.56 7.94 -1.26 -2.58 117.00 116.00 1shz n LEU 305 Ca 0.10 0.09 0.13 0.00 -1.11 0.00 0.00 56.01 55.22 1shz n LEU 305 Cb 0.52 -0.09 0.38 0.00 0.53 0.00 0.00 43.42 44.76 1shz n LEU 305 CO 0.44 -0.06 0.78 0.35 -1.11 0.00 0.00 177.39 177.79 1shz n THR 306 N -1.09 0.45 0.31 1.96 -2.24 -1.26 -2.89 114.28 109.51 1shz n THR 306 Ca 0.08 -0.24 0.19 0.00 -2.27 0.00 0.00 64.05 61.82 1shz n THR 306 Cb 0.06 -0.45 1.01 0.00 -2.10 0.00 0.00 70.33 68.84 1shz n THR 306 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1shz h ILE 307 N 0.00 0.17 0.00 2.28 2.04 -1.81 -3.22 117.51 116.97 1shz h ILE 307 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1shz h ILE 307 Cb 0.70 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1shz h ILE 307 CO 0.00 0.02 -0.54 0.00 0.00 0.00 0.00 178.15 177.63 1shz s TYR 309 N -2.17 3.48 0.58 0.00 2.02 -1.14 -4.96 117.35 115.17 1shz s TYR 309 Ca -0.16 -2.13 0.28 0.00 -0.37 0.00 0.00 57.07 54.69 1shz s TYR 309 Cb 0.02 -3.43 1.74 0.00 -0.40 0.00 0.00 41.96 39.89 1shz s TYR 309 CO 0.23 -0.96 2.23 -1.35 -1.57 0.00 0.00 175.55 174.12 1shz h PRO 310 N 8.06 0.00 -0.03 -1.71 0.11 -1.84 -2.35 132.00 134.24 1shz h PRO 310 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1shz h PRO 310 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1shz h PRO 310 CO 0.80 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.74 1shz n GLU 311 N -3.94 1.14 -2.68 1.05 0.00 -1.26 -4.80 120.64 110.16 1shz n GLU 311 Ca -0.02 -0.22 -0.43 0.00 0.00 0.00 0.00 57.16 56.49 1shz n GLU 311 Cb 0.11 -1.31 -0.03 0.00 0.00 0.00 0.00 31.44 30.22 1shz n GLU 311 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 1shz s TYR 312 N -1.96 2.95 -2.04 -1.84 5.04 -0.88 -4.88 117.35 113.74 1shz s TYR 312 Ca 0.29 0.78 0.20 0.00 -2.44 0.00 0.00 57.07 55.90 1shz s TYR 312 Cb 0.14 -4.07 0.42 0.00 0.35 0.00 0.00 41.96 38.80 1shz s TYR 312 CO 0.22 -1.06 1.36 0.00 -1.34 0.00 0.00 175.55 174.73 1shz n ALA 313 N 7.35 2.38 -1.07 3.97 0.00 -1.26 -4.86 120.51 127.01 1shz n ALA 313 Ca 0.10 -1.05 -0.05 0.00 0.00 0.00 0.00 53.44 52.44 1shz n ALA 313 Cb 0.48 -0.77 0.06 0.00 0.00 0.00 0.00 19.45 19.23 1shz n ALA 313 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1shz n GLY 314 N 1.31 -2.23 3.92 0.00 0.00 -1.26 -5.05 105.19 101.88 1shz n GLY 314 Ca 0.18 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.43 1shz n GLY 314 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1shz s SER 315 N -2.30 6.30 -1.21 1.61 1.04 -1.26 -5.01 113.70 112.87 1shz s SER 315 Ca 0.19 0.76 -0.06 0.00 0.48 0.00 0.00 55.95 57.32 1shz s SER 315 Cb -0.02 -2.17 0.21 0.00 0.10 0.00 0.00 66.02 64.14 1shz s SER 315 CO 0.15 -0.44 1.87 0.59 0.98 0.00 0.00 173.24 176.38 1shz n ASN 316 N -1.93 6.19 -4.18 7.02 3.02 -1.26 -4.12 115.26 120.00 1shz n ASN 316 Ca -0.01 -3.25 -0.20 0.00 -0.03 0.00 0.00 54.58 51.09 1shz n ASN 316 Cb 0.55 -1.37 -0.13 0.00 -0.61 0.00 0.00 39.78 38.22 1shz n ASN 316 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1shz s THR 317 N -1.15 1.20 0.14 3.41 2.01 -1.26 -4.74 115.64 115.25 1shz s THR 317 Ca 0.40 -1.21 -0.31 0.00 0.31 0.00 0.00 61.69 60.87 1shz s THR 317 Cb 0.11 -1.12 -0.07 0.00 0.01 0.00 0.00 72.50 71.43 1shz s THR 317 CO 0.00 -0.10 1.55 0.22 -0.69 0.00 0.00 174.62 175.60 1shz h TYR 318 N 4.53 -1.66 0.00 4.92 3.20 -1.92 -1.92 116.97 124.13 1shz h TYR 318 Ca -0.40 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.56 1shz h TYR 318 Cb 1.18 0.79 0.00 0.00 1.54 0.00 0.00 36.73 40.25 1shz h TYR 318 CO 0.59 -0.46 0.00 0.39 -1.64 0.00 0.00 178.16 177.04 1shz n GLU 319 N -5.36 0.00 0.00 1.82 -0.58 -1.26 -1.88 120.64 113.37 1shz n GLU 319 Ca -0.02 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.49 1shz n GLU 319 Cb 0.33 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.76 1shz n GLU 319 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1shz n GLU 320 N -2.43 0.00 -0.22 3.49 0.00 -1.12 -2.16 120.64 118.20 1shz n GLU 320 Ca 0.00 0.78 -0.13 0.00 0.00 0.00 0.00 57.16 57.81 1shz n GLU 320 Cb 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 31.44 29.92 1shz n GLU 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1shz h ALA 321 N -1.40 -0.69 -1.00 -1.84 0.00 -1.41 -0.20 119.26 112.71 1shz h ALA 321 Ca 0.00 0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.21 1shz h ALA 321 Cb 0.00 1.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 1shz h ALA 321 CO 0.00 -1.02 0.67 0.00 0.00 0.00 0.00 179.25 178.90 1shz h ALA 322 N 0.15 2.43 -0.27 0.00 0.00 -1.34 0.56 119.26 120.79 1shz h ALA 322 Ca 0.10 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1shz h ALA 322 Cb 0.55 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1shz h ALA 322 CO -0.70 -0.77 -0.32 0.00 0.00 0.00 0.00 179.25 177.47 1shz h ALA 323 N 1.58 0.95 -0.26 0.00 0.00 -0.53 -2.36 119.26 118.63 1shz h ALA 323 Ca 0.53 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1shz h ALA 323 Cb 1.54 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1shz h ALA 323 CO -0.18 0.61 -0.25 -0.92 0.00 0.00 0.00 179.25 178.51 1shz h TYR 324 N 0.48 0.75 -0.34 0.00 3.20 0.70 -0.81 116.97 120.94 1shz h TYR 324 Ca 0.06 -0.22 -0.09 0.00 3.14 0.00 0.00 58.73 61.62 1shz h TYR 324 Cb 0.79 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 1shz h TYR 324 CO 0.03 0.94 -0.15 0.82 -1.64 0.00 0.00 178.16 178.16 1shz h ILE 325 N 0.35 1.25 -0.47 1.81 2.04 -1.24 -0.85 117.51 120.40 1shz h ILE 325 Ca 0.04 -1.14 -0.12 0.00 1.00 0.00 0.00 64.86 64.65 1shz h ILE 325 Cb 0.81 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1shz h ILE 325 CO 0.06 0.38 -0.17 -0.61 0.00 0.00 0.00 178.15 177.81 1shz h GLN 326 N 0.56 0.91 -0.46 2.37 4.15 -1.29 -2.80 115.11 118.55 1shz h GLN 326 Ca 0.09 -0.35 -0.06 0.00 0.77 0.00 0.00 58.65 59.11 1shz h GLN 326 Cb 0.57 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1shz h GLN 326 CO 0.04 1.00 0.06 0.00 -1.93 0.00 0.00 178.83 178.00 1shz h GLN 328 N 0.63 0.00 0.11 0.00 1.08 -1.04 -2.49 115.11 113.41 1shz h GLN 328 Ca 0.14 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 56.98 1shz h GLN 328 Cb 0.41 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 1shz h GLN 328 CO 0.01 0.08 -1.94 0.74 -0.95 0.00 0.00 178.83 176.78 1shz h PHE 329 N 0.00 0.43 0.00 2.96 0.04 -1.33 -3.36 116.94 115.68 1shz h PHE 329 Ca -0.00 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.45 1shz h PHE 329 Cb 0.32 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1shz h PHE 329 CO 0.00 1.67 0.00 0.93 -0.60 0.00 0.00 178.31 180.31 1shz h GLU 330 N 0.06 0.00 0.00 1.51 5.08 -1.33 -2.78 114.58 117.12 1shz h GLU 330 Ca -0.40 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.86 1shz h GLU 330 Cb 2.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.27 1shz h GLU 330 CO 0.09 0.00 -0.51 0.22 -1.00 0.00 0.00 179.01 177.81 1shz h ASP 331 N 0.00 0.00 0.00 1.42 3.58 -1.59 -3.12 116.42 116.71 1shz h ASP 331 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1shz h ASP 331 Cb 0.61 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.66 1shz h ASP 331 CO 0.00 0.51 0.00 0.18 -2.88 0.00 0.00 179.24 177.05 1shz n LEU 332 N -3.90 1.12 -4.30 2.28 4.77 -1.05 -4.63 117.00 111.30 1shz n LEU 332 Ca -0.01 -0.56 -0.38 0.00 -0.03 0.00 0.00 56.01 55.03 1shz n LEU 332 Cb 0.53 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.24 1shz n LEU 332 CO 0.41 0.21 -0.25 0.21 -1.33 0.00 0.00 177.39 176.63 1shz s ASN 333 N 0.36 5.34 0.12 -1.43 3.84 -1.18 -4.77 114.94 117.22 1shz s ASN 333 Ca 0.00 -1.05 -0.14 0.00 0.21 0.00 0.00 52.86 51.88 1shz s ASN 333 Cb 0.00 -1.89 -0.03 0.00 -0.55 0.00 0.00 41.25 38.78 1shz s ASN 333 CO 0.00 -0.31 1.53 0.11 -2.79 0.00 0.00 177.10 175.63 1shz h LYS 334 N 8.25 0.76 -2.76 0.43 1.57 -1.92 -3.25 116.57 119.65 1shz h LYS 334 Ca -0.25 -0.30 -0.75 0.00 -1.87 0.00 0.00 60.65 57.48 1shz h LYS 334 Cb 1.09 -0.04 -0.15 0.00 0.08 0.00 0.00 32.23 33.21 1shz h LYS 334 CO 0.61 0.90 2.16 0.54 -0.57 0.00 0.00 179.45 183.10 1shz n ARG 335 N -4.34 4.49 0.29 3.15 3.00 -1.26 -4.70 116.66 117.30 1shz n ARG 335 Ca -0.01 -3.63 0.19 0.00 -0.01 0.00 0.00 57.85 54.39 1shz n ARG 335 Cb 0.36 -2.67 0.87 0.00 0.00 0.00 0.00 32.46 31.03 1shz n ARG 335 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1shz h LYS 336 N 4.81 0.00 -0.39 5.56 1.57 -1.81 0.92 116.57 127.23 1shz h LYS 336 Ca 0.61 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 59.19 1shz h LYS 336 Cb 0.38 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.56 1shz h LYS 336 CO 1.47 0.00 -0.05 -0.25 -0.57 0.00 0.00 179.45 180.06 1shz n ASP 337 N -3.02 2.52 0.00 0.86 8.00 -1.26 -4.48 116.55 119.16 1shz n ASP 337 Ca -0.01 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.70 1shz n ASP 337 Cb 0.21 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1shz n ASP 337 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1shz n THR 338 N -1.13 0.00 -4.64 -3.53 -1.04 -0.84 -5.11 114.28 97.99 1shz n THR 338 Ca 0.35 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 62.13 1shz n THR 338 Cb 1.08 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 69.43 1shz n THR 338 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1shz s LYS 339 N -1.00 1.34 -0.07 -2.82 2.20 0.26 -5.10 119.74 114.56 1shz s LYS 339 Ca 0.00 -0.48 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1shz s LYS 339 Cb 0.00 -1.22 -0.04 0.00 -1.51 0.00 0.00 37.83 35.06 1shz s LYS 339 CO 0.00 0.22 0.05 -2.00 -0.36 0.00 0.00 175.35 173.26 1shz s GLU 340 N -0.01 3.08 -0.30 4.03 -6.30 -1.26 -4.60 118.70 113.34 1shz s GLU 340 Ca -0.01 -0.38 -0.07 0.00 -2.50 0.00 0.00 54.97 52.01 1shz s GLU 340 Cb -0.09 -2.88 0.01 0.00 0.00 0.00 0.00 34.13 31.17 1shz s GLU 340 CO 0.01 0.70 0.09 0.42 0.02 0.00 0.00 175.26 176.50 1shz s ILE 341 N -1.00 4.04 -0.83 -3.70 1.01 -1.26 -4.48 121.20 114.97 1shz s ILE 341 Ca 0.16 -0.68 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 1shz s ILE 341 Cb -0.12 -3.09 0.10 0.00 0.01 0.00 0.00 42.46 39.37 1shz s ILE 341 CO 0.06 0.07 1.08 -0.31 0.00 0.00 0.00 174.94 175.83 1shz s TYR 342 N 1.51 2.92 0.15 3.97 2.02 -0.99 -4.95 117.35 121.98 1shz s TYR 342 Ca 0.03 -1.05 -0.23 0.00 -0.37 0.00 0.00 57.07 55.45 1shz s TYR 342 Cb -0.17 -4.30 -0.08 0.00 -0.40 0.00 0.00 41.96 37.01 1shz s TYR 342 CO 0.03 -1.57 0.71 0.99 -1.57 0.00 0.00 175.55 174.14 1shz s THR 343 N 3.31 4.51 -0.09 -0.71 2.01 -1.26 -1.89 115.64 121.52 1shz s THR 343 Ca 0.29 1.49 -0.07 0.00 0.31 0.00 0.00 61.69 63.71 1shz s THR 343 Cb -0.09 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.43 1shz s THR 343 CO -0.02 0.47 0.23 -1.00 -0.69 0.00 0.00 174.62 173.62 1shz s HIS 344 N -1.21 -0.28 -0.76 4.92 3.76 -0.72 -4.97 115.29 116.03 1shz s HIS 344 Ca 0.35 0.68 -0.19 0.00 -0.15 0.00 0.00 55.06 55.75 1shz s HIS 344 Cb -0.21 0.07 0.12 0.00 1.11 0.00 0.00 32.58 33.67 1shz s HIS 344 CO 0.23 -0.17 0.93 -0.06 -0.85 0.00 0.00 174.74 174.83 1shz s PHE 345 N 0.60 3.05 0.61 1.40 0.08 -1.26 -0.66 117.98 121.80 1shz s PHE 345 Ca -0.04 -1.15 0.04 0.00 0.12 0.00 0.00 56.93 55.91 1shz s PHE 345 Cb -0.05 -4.16 0.11 0.00 -0.57 0.00 0.00 43.02 38.35 1shz s PHE 345 CO -0.03 -1.42 0.84 0.25 -0.10 0.00 0.00 175.22 174.76 1shz n THR 346 N 5.44 0.00 -2.75 0.64 -2.24 -1.01 -4.93 114.28 109.44 1shz n THR 346 Ca 0.07 -1.64 -0.08 0.00 -2.27 0.00 0.00 64.05 60.13 1shz n THR 346 Cb 0.46 -0.74 0.05 0.00 -2.10 0.00 0.00 70.33 68.01 1shz n THR 346 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1shz n ALA 348 N 1.64 1.35 0.33 0.00 0.00 -1.26 -0.22 120.51 122.35 1shz n ALA 348 Ca 0.09 0.46 0.12 0.00 0.00 0.00 0.00 53.44 54.11 1shz n ALA 348 Cb 0.63 -0.81 0.24 0.00 0.00 0.00 0.00 19.45 19.51 1shz n ALA 348 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1shz h THR 349 N 0.00 0.00 -3.18 0.00 1.35 -1.92 -3.43 112.91 105.73 1shz h THR 349 Ca 0.67 -0.85 -0.66 0.00 -0.55 0.00 0.00 66.41 65.01 1shz h THR 349 Cb 2.70 1.85 -0.16 0.00 -1.73 0.00 0.00 68.15 70.81 1shz h THR 349 CO -0.01 0.00 0.22 -0.62 -0.25 0.00 0.00 175.52 174.86 1shz s ASP 350 N -5.73 6.25 0.27 5.36 -1.08 0.70 -4.95 116.67 117.49 1shz s ASP 350 Ca 0.08 -0.80 -0.00 0.00 -0.52 0.00 0.00 52.55 51.31 1shz s ASP 350 Cb 0.07 -2.34 0.56 0.00 -1.46 0.00 0.00 42.92 39.75 1shz s ASP 350 CO 0.65 -1.03 1.77 0.74 0.52 0.00 0.00 175.17 177.82 1shz h THR 351 N 5.91 0.73 -0.31 1.71 2.02 -1.85 -2.63 112.91 118.49 1shz h THR 351 Ca -0.27 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 1shz h THR 351 Cb 1.09 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1shz h THR 351 CO 1.02 0.12 0.19 0.50 0.37 0.00 0.00 175.52 177.72 1shz h LYS 352 N 0.65 0.42 -0.57 6.66 3.64 -1.96 -2.40 116.57 123.01 1shz h LYS 352 Ca 0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1shz h LYS 352 Cb 0.68 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1shz h LYS 352 CO -0.36 0.31 0.37 -0.97 -2.27 0.00 0.00 179.45 176.52 1shz h ASN 353 N 0.40 0.66 -0.64 4.20 -0.00 -1.82 -2.93 115.58 115.45 1shz h ASN 353 Ca 0.11 -0.03 -0.04 0.00 -0.00 0.00 0.00 56.30 56.34 1shz h ASN 353 Cb -0.01 -0.16 -0.03 0.00 -0.00 0.00 0.00 38.32 38.12 1shz h ASN 353 CO -0.02 0.49 0.25 0.58 -0.00 0.00 0.00 177.43 178.73 1shz h VAL 354 N 0.76 1.23 -0.66 2.57 2.07 -1.41 -0.70 116.25 120.12 1shz h VAL 354 Ca 0.21 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.92 1shz h VAL 354 Cb -0.07 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1shz h VAL 354 CO -0.04 0.30 0.22 -0.61 0.02 0.00 0.00 177.57 177.46 1shz h GLN 355 N 0.97 1.00 -0.02 1.57 4.15 -1.33 0.13 115.11 121.58 1shz h GLN 355 Ca 0.22 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 1shz h GLN 355 Cb 0.21 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 1shz h GLN 355 CO -0.02 0.85 -0.02 0.35 -1.93 0.00 0.00 178.83 178.06 1shz h PHE 356 N 0.97 0.05 -0.33 3.99 3.57 -1.26 -2.82 116.94 121.11 1shz h PHE 356 Ca 0.22 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 1shz h PHE 356 Cb 0.26 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1shz h PHE 356 CO 0.02 0.56 -0.21 0.28 -2.23 0.00 0.00 178.31 176.73 1shz h VAL 357 N -0.47 1.26 -0.35 1.41 2.07 -1.07 -1.86 116.25 117.25 1shz h VAL 357 Ca 0.00 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.21 1shz h VAL 357 Cb 0.56 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1shz h VAL 357 CO 0.01 0.41 -0.02 0.15 0.02 0.00 0.00 177.57 178.14 1shz h PHE 358 N 0.56 0.69 -0.88 1.57 3.57 -0.81 -1.23 116.94 120.40 1shz h PHE 358 Ca 0.08 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.49 1shz h PHE 358 Cb 0.66 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 1shz h PHE 358 CO 0.03 0.75 0.58 0.22 -2.23 0.00 0.00 178.31 177.65 1shz h ASP 359 N 0.43 0.94 -0.41 0.41 3.58 -1.38 -0.72 116.42 119.28 1shz h ASP 359 Ca 0.10 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.43 1shz h ASP 359 Cb 0.48 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1shz h ASP 359 CO 0.02 0.65 -0.16 0.00 -2.88 0.00 0.00 179.24 176.87 1shz h ALA 360 N 1.49 0.57 -0.19 -0.78 0.00 -1.04 -2.53 119.26 116.79 1shz h ALA 360 Ca 0.35 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1shz h ALA 360 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1shz h ALA 360 CO -0.10 0.50 -0.40 0.28 0.00 0.00 0.00 179.25 179.53 1shz h VAL 361 N 0.65 1.30 -0.05 0.00 2.07 -0.83 -2.80 116.25 116.59 1shz h VAL 361 Ca 0.10 -1.54 -0.09 0.00 0.82 0.00 0.00 66.70 65.99 1shz h VAL 361 Cb 0.71 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1shz h VAL 361 CO 0.05 0.47 -0.38 0.71 0.02 0.00 0.00 177.57 178.45 1shz h THR 362 N 0.36 1.28 0.00 2.57 1.35 -1.05 -2.39 112.91 115.03 1shz h THR 362 Ca 0.03 -1.37 -0.10 0.00 -0.55 0.00 0.00 66.41 64.42 1shz h THR 362 Cb 0.86 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.93 1shz h THR 362 CO 0.07 0.40 -0.49 0.44 -0.25 0.00 0.00 175.52 175.69 1shz h ASP 363 N 0.09 0.00 -0.08 5.36 3.32 -1.20 -0.97 116.42 122.94 1shz h ASP 363 Ca 0.01 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 1shz h ASP 363 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1shz h ASP 363 CO 0.05 0.49 -0.43 0.58 -1.72 0.00 0.00 179.24 178.22 1shz h VAL 364 N 0.00 1.30 -0.03 -1.35 2.07 -1.22 -2.41 116.25 114.61 1shz h VAL 364 Ca -0.00 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 1shz h VAL 364 Cb 0.98 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1shz h VAL 364 CO 0.06 0.51 -0.04 0.40 0.02 0.00 0.00 177.57 178.53 1shz h ILE 365 N 0.50 1.39 0.00 4.57 5.03 -1.16 0.88 117.51 128.72 1shz h ILE 365 Ca 0.04 -1.22 0.00 0.00 -0.12 0.00 0.00 64.86 63.56 1shz h ILE 365 Cb 0.96 2.13 0.00 0.00 -3.03 0.00 0.00 36.82 36.88 1shz h ILE 365 CO 0.09 0.33 0.09 0.40 -0.68 0.00 0.00 178.15 178.37 1shz h ILE 366 N -0.39 0.00 0.00 -0.67 2.04 -1.14 -1.16 117.51 116.20 1shz h ILE 366 Ca 0.00 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.58 1shz h ILE 366 Cb 0.55 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1shz h ILE 366 CO 0.01 0.00 -1.82 1.17 0.00 0.00 0.00 178.15 177.51 1shz n LYS 367 N -2.67 0.56 0.00 2.37 4.81 -0.91 -4.44 118.16 117.88 1shz n LYS 367 Ca -0.02 0.33 0.08 0.00 -0.87 0.00 0.00 58.31 57.83 1shz n LYS 367 Cb 0.14 -1.54 0.37 0.00 0.02 0.00 0.00 35.03 34.01 1shz n LYS 367 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1shz n ASN 368 N -4.36 0.00 0.08 3.14 4.13 0.28 -2.43 115.26 116.10 1shz n ASN 368 Ca -0.38 0.29 -0.06 0.00 1.68 0.00 0.00 54.58 56.11 1shz n ASN 368 Cb 0.72 -0.40 0.08 0.00 -1.54 0.00 0.00 39.78 38.64 1shz n ASN 368 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1shz h ASN 369 N 0.00 0.29 -2.06 6.41 7.08 -1.43 -3.37 115.58 122.51 1shz h ASN 369 Ca 0.00 -0.18 -0.73 0.00 -3.08 0.00 0.00 56.30 52.30 1shz h ASN 369 Cb 0.22 -0.09 -0.17 0.00 -2.08 0.00 0.00 38.32 36.20 1shz h ASN 369 CO 0.00 0.88 1.43 -0.76 -2.08 0.00 0.00 177.43 176.90 1shz s LEU 370 N -7.82 4.95 0.00 6.14 1.43 -1.02 -5.13 118.68 117.23 1shz s LEU 370 Ca -0.04 -2.96 0.00 0.00 -1.03 0.00 0.00 54.13 50.10 1shz s LEU 370 Cb 0.11 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.92 1shz s LEU 370 CO 0.81 -0.78 0.39 0.29 0.23 0.00 0.00 176.35 177.29