#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sbz s LEU 3 N 0.00 2.38 -0.05 -0.35 1.43 -0.20 0.15 118.68 122.04 1sbz s LEU 3 Ca 0.00 -0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 52.54 1sbz s LEU 3 Cb 0.00 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.70 1sbz s LEU 3 CO 0.00 0.25 0.47 -0.63 0.23 0.00 0.00 176.35 176.67 1sbz s ILE 4 N -0.18 5.07 -0.26 -0.59 1.01 -0.45 -0.66 121.20 125.13 1sbz s ILE 4 Ca -0.02 0.95 0.02 0.00 0.00 0.00 0.00 60.65 61.61 1sbz s ILE 4 Cb -0.14 -3.79 0.07 0.00 0.01 0.00 0.00 42.46 38.61 1sbz s ILE 4 CO 0.03 0.45 -0.07 -0.69 0.00 0.00 0.00 174.94 174.66 1sbz s VAL 5 N -0.20 1.95 0.13 2.92 1.01 0.76 -0.18 120.40 126.79 1sbz s VAL 5 Ca 0.26 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.65 1sbz s VAL 5 Cb -0.16 -2.16 0.03 0.00 0.00 0.00 0.00 36.38 34.08 1sbz s VAL 5 CO 0.13 -0.14 0.18 0.61 0.00 0.00 0.00 175.10 175.88 1sbz n GLY 6 N 4.49 1.07 0.00 4.51 0.00 0.94 -0.75 105.19 115.45 1sbz n GLY 6 Ca -0.11 -2.02 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1sbz n GLY 6 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1sbz n THR 8 N -1.55 0.00 -0.38 2.61 -1.04 -1.16 -1.04 114.28 111.72 1sbz n THR 8 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1sbz n THR 8 Cb 0.11 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 1sbz n THR 8 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sbz n GLY 9 N -0.51 2.36 3.88 3.41 0.00 -1.26 -4.42 105.19 108.65 1sbz n GLY 9 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1sbz n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sbz s ALA 10 N 0.10 3.68 0.36 4.61 0.00 -1.26 -4.86 121.76 124.39 1sbz s ALA 10 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 1sbz s ALA 10 Cb 0.00 -2.28 -0.11 0.00 0.00 0.00 0.00 23.12 20.72 1sbz s ALA 10 CO 0.00 0.59 1.52 -2.37 0.00 0.00 0.00 175.76 175.50 1sbz n THR 11 N 0.07 1.74 0.00 0.00 5.66 -1.26 -4.04 114.28 116.45 1sbz n THR 11 Ca -0.02 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1sbz n THR 11 Cb 0.52 -1.99 0.00 0.00 -1.55 0.00 0.00 70.33 67.31 1sbz n THR 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1sbz n GLY 12 N 0.90 1.75 0.34 1.09 0.00 -1.26 -4.92 105.19 103.08 1sbz n GLY 12 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1sbz n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sbz h ALA 13 N 0.00 1.84 -0.54 4.61 0.00 -1.86 -1.80 119.26 121.51 1sbz h ALA 13 Ca 0.00 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1sbz h ALA 13 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1sbz h ALA 13 CO 0.00 0.06 0.38 -1.35 0.00 0.00 0.00 179.25 178.34 1sbz h PRO 14 N 0.57 0.04 -0.48 0.00 0.11 -1.92 -1.01 132.00 129.30 1sbz h PRO 14 Ca 0.26 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.34 1sbz h PRO 14 Cb 0.32 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1sbz h PRO 14 CO -0.08 0.02 0.18 -0.07 -0.21 0.00 0.00 178.00 177.84 1sbz h LEU 15 N 0.04 0.67 -0.11 2.35 3.38 -1.70 -1.77 115.31 118.17 1sbz h LEU 15 Ca 0.26 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1sbz h LEU 15 Cb 0.97 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1sbz h LEU 15 CO -0.01 0.67 0.00 1.23 0.09 0.00 0.00 178.44 180.42 1sbz h GLY 16 N 0.63 0.22 0.89 0.83 0.00 -1.27 -2.08 103.07 102.29 1sbz h GLY 16 Ca 0.16 -0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1sbz h GLY 16 CO -0.01 0.15 0.37 -2.08 0.00 0.00 0.00 176.54 174.97 1sbz h VAL 17 N -0.07 1.08 -0.65 4.60 2.07 -1.36 -0.89 116.25 121.04 1sbz h VAL 17 Ca 0.03 -0.25 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1sbz h VAL 17 Cb 0.35 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1sbz h VAL 17 CO 0.01 0.13 0.10 0.00 0.02 0.00 0.00 177.57 177.83 1sbz h ALA 18 N 1.25 0.86 -0.60 1.67 0.00 -1.31 0.98 119.26 122.11 1sbz h ALA 18 Ca 0.24 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1sbz h ALA 18 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1sbz h ALA 18 CO -0.09 0.63 0.14 1.25 0.00 0.00 0.00 179.25 181.18 1sbz h LEU 19 N 0.99 0.92 -0.82 0.00 6.46 -1.13 -1.06 115.31 120.68 1sbz h LEU 19 Ca 0.20 -0.24 -0.08 0.00 -0.12 0.00 0.00 57.88 57.64 1sbz h LEU 19 Cb 0.45 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 1sbz h LEU 19 CO 0.01 0.92 0.06 -0.07 -0.62 0.00 0.00 178.44 178.74 1sbz h LEU 20 N 0.88 0.90 -0.08 2.25 3.38 -0.90 -1.11 115.31 120.63 1sbz h LEU 20 Ca 0.19 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1sbz h LEU 20 Cb 0.36 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1sbz h LEU 20 CO 0.00 0.93 0.05 1.56 0.09 0.00 0.00 178.44 181.07 1sbz h GLN 21 N 0.88 0.11 -0.56 1.13 4.20 -0.60 -1.65 115.11 118.63 1sbz h GLN 21 Ca 0.17 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 1sbz h GLN 21 Cb 0.44 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1sbz h GLN 21 CO 0.02 0.14 0.27 0.00 -0.67 0.00 0.00 178.83 178.58 1sbz h ALA 22 N 0.97 1.42 -0.39 3.87 0.00 -1.05 -2.39 119.26 121.68 1sbz h ALA 22 Ca 0.03 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1sbz h ALA 22 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sbz h ALA 22 CO -0.01 0.46 -0.19 -0.07 0.00 0.00 0.00 179.25 179.44 1sbz h LEU 23 N 0.78 0.77 -2.18 0.00 4.07 -1.09 -2.93 115.31 114.73 1sbz h LEU 23 Ca 0.20 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1sbz h LEU 23 Cb 0.09 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.62 1sbz h LEU 23 CO -0.03 0.95 0.01 -0.09 -1.08 0.00 0.00 178.44 178.20 1sbz h ARG 24 N 0.67 0.00 -3.28 1.13 9.65 -0.77 -3.43 114.38 118.36 1sbz h ARG 24 Ca 0.10 0.00 -0.72 0.00 -1.10 0.00 0.00 59.98 58.26 1sbz h ARG 24 Cb 0.69 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.19 1sbz h ARG 24 CO 0.05 0.00 2.79 0.39 2.80 0.00 0.00 179.97 186.00 1sbz n GLU 25 N -4.27 3.71 0.00 0.20 -0.58 -1.11 -5.08 120.64 113.52 1sbz n GLU 25 Ca -0.03 -3.00 0.00 0.00 -0.42 0.00 0.00 57.16 53.71 1sbz n GLU 25 Cb 0.10 -2.91 0.00 0.00 -0.57 0.00 0.00 31.44 28.06 1sbz n GLU 25 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1sbz n PRO 27 N 3.76 2.02 0.00 3.49 -0.02 -1.26 -5.11 135.00 137.88 1sbz n PRO 27 Ca 0.57 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 62.15 1sbz n PRO 27 Cb 0.31 -0.35 0.53 0.00 -0.02 0.00 0.00 33.50 33.97 1sbz n PRO 27 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1sbz n ASN 28 N -0.26 0.00 -4.20 2.55 6.94 -1.26 -4.74 115.26 114.30 1sbz n ASN 28 Ca 0.00 -0.27 -0.34 0.00 -0.02 0.00 0.00 54.58 53.95 1sbz n ASN 28 Cb 0.00 -0.16 -0.15 0.00 -2.36 0.00 0.00 39.78 37.11 1sbz n ASN 28 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1sbz s VAL 29 N -2.31 2.64 -0.22 3.53 1.01 -1.26 -4.79 120.40 119.00 1sbz s VAL 29 Ca 0.23 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 1sbz s VAL 29 Cb 0.13 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1sbz s VAL 29 CO 0.26 0.44 0.25 -0.70 0.00 0.00 0.00 175.10 175.35 1sbz s GLU 30 N 1.36 4.13 -0.13 2.72 2.12 -1.26 -4.95 118.70 122.69 1sbz s GLU 30 Ca 0.04 -0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.28 1sbz s GLU 30 Cb -0.14 -3.52 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 1sbz s GLU 30 CO -0.08 0.06 -0.05 0.95 -0.54 0.00 0.00 175.26 175.59 1sbz s THR 31 N 1.05 3.78 -0.30 -1.70 -4.23 -1.26 -1.03 115.64 111.95 1sbz s THR 31 Ca 0.12 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.20 1sbz s THR 31 Cb -0.14 -2.62 0.05 0.00 1.34 0.00 0.00 72.50 71.14 1sbz s THR 31 CO 0.05 0.53 -0.00 -1.00 -0.54 0.00 0.00 174.62 173.66 1sbz s HIS 32 N -0.00 3.27 -0.07 3.99 3.76 0.17 -1.67 115.29 124.73 1sbz s HIS 32 Ca 0.00 -1.90 -0.12 0.00 -0.15 0.00 0.00 55.06 52.89 1sbz s HIS 32 Cb -0.13 -2.11 -0.05 0.00 1.11 0.00 0.00 32.58 31.39 1sbz s HIS 32 CO 0.03 -0.81 0.29 -1.17 -0.85 0.00 0.00 174.74 172.23 1sbz s LEU 33 N 1.24 4.41 0.43 0.89 2.96 -0.15 -0.17 118.68 128.29 1sbz s LEU 33 Ca -0.05 0.71 0.04 0.00 -0.22 0.00 0.00 54.13 54.60 1sbz s LEU 33 Cb -0.20 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.12 1sbz s LEU 33 CO -0.01 0.32 0.14 -0.69 -1.32 0.00 0.00 176.35 174.79 1sbz s VAL 34 N -0.81 0.52 0.22 1.68 1.01 0.07 -0.75 120.40 122.33 1sbz s VAL 34 Ca 0.19 -2.00 0.03 0.00 0.00 0.00 0.00 61.98 60.20 1sbz s VAL 34 Cb -0.14 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1sbz s VAL 34 CO 0.08 0.00 0.01 -0.94 0.00 0.00 0.00 175.10 174.25 1sbz s SER 36 N -3.64 1.59 0.20 3.32 1.04 -1.26 -4.32 113.70 110.63 1sbz s SER 36 Ca 0.21 -1.22 -0.11 0.00 0.48 0.00 0.00 55.95 55.31 1sbz s SER 36 Cb 0.01 0.06 0.24 0.00 0.10 0.00 0.00 66.02 66.43 1sbz s SER 36 CO 0.15 -0.55 1.74 0.50 0.98 0.00 0.00 173.24 176.05 1sbz h LYS 37 N 2.53 0.34 0.00 4.02 3.11 -2.01 -2.57 116.57 121.99 1sbz h LYS 37 Ca -0.38 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.37 1sbz h LYS 37 Cb 1.22 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.36 1sbz h LYS 37 CO 0.64 0.23 -0.36 -1.49 -2.81 0.00 0.00 179.45 175.65 1sbz h TRP 38 N 0.35 0.00 -0.66 1.91 4.06 -1.95 -2.89 115.95 116.76 1sbz h TRP 38 Ca 0.28 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.19 1sbz h TRP 38 Cb 0.35 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.48 1sbz h TRP 38 CO -0.18 0.36 0.25 0.00 -3.56 0.00 0.00 178.44 175.31 1sbz h ALA 39 N 1.64 0.87 -0.51 1.49 0.00 -1.68 -1.25 119.26 119.82 1sbz h ALA 39 Ca -0.00 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1sbz h ALA 39 Cb 1.01 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1sbz h ALA 39 CO 0.05 0.50 0.24 0.87 0.00 0.00 0.00 179.25 180.90 1sbz h LYS 40 N 0.95 0.45 -0.65 0.00 1.57 -1.27 0.38 116.57 117.99 1sbz h LYS 40 Ca 0.22 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1sbz h LYS 40 Cb 0.23 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1sbz h LYS 40 CO -0.01 0.30 0.42 1.15 -0.57 0.00 0.00 179.45 180.73 1sbz h THR 41 N 0.46 1.15 -0.33 -0.16 2.02 -1.43 -2.27 112.91 112.36 1sbz h THR 41 Ca 0.23 -0.30 -0.17 0.00 0.77 0.00 0.00 66.41 66.94 1sbz h THR 41 Cb 0.17 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1sbz h THR 41 CO -0.18 0.16 -0.47 0.74 0.37 0.00 0.00 175.52 176.14 1sbz h THR 42 N 0.86 1.27 -0.29 3.16 2.02 -0.53 -1.83 112.91 117.57 1sbz h THR 42 Ca 0.24 -1.65 0.01 0.00 0.77 0.00 0.00 66.41 65.79 1sbz h THR 42 Cb -0.08 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 1sbz h THR 42 CO -0.06 0.54 0.16 0.40 0.37 0.00 0.00 175.52 176.94 1sbz h ILE 43 N 0.70 1.02 -0.60 3.11 2.04 -0.19 -0.11 117.51 123.49 1sbz h ILE 43 Ca 0.04 -0.12 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 1sbz h ILE 43 Cb 1.06 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1sbz h ILE 43 CO 0.11 0.06 0.08 -0.33 0.00 0.00 0.00 178.15 178.07 1sbz h GLU 44 N 0.34 1.00 -0.28 2.37 5.08 -1.32 -1.25 114.58 120.51 1sbz h GLU 44 Ca 0.12 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1sbz h GLU 44 Cb 0.01 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1sbz h GLU 44 CO -0.06 0.95 -0.05 1.25 -1.00 0.00 0.00 179.01 180.09 1sbz h LEU 45 N 0.90 0.52 0.00 1.33 5.85 -1.17 -3.37 115.31 119.37 1sbz h LEU 45 Ca 0.18 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1sbz h LEU 45 Cb 0.44 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1sbz h LEU 45 CO 0.01 0.75 -1.29 -0.62 -0.34 0.00 0.00 178.44 176.95 1sbz n GLU 46 N -4.54 0.26 -4.27 1.25 1.02 -0.07 -4.94 120.64 109.35 1sbz n GLU 46 Ca -0.03 -0.06 -0.16 0.00 -0.02 0.00 0.00 57.16 56.89 1sbz n GLU 46 Cb 0.29 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 1sbz n GLU 46 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1sbz s THR 47 N -3.20 1.34 -1.98 2.62 -4.23 -0.48 -4.78 115.64 104.94 1sbz s THR 47 Ca 0.02 -2.05 0.29 0.00 -1.18 0.00 0.00 61.69 58.78 1sbz s THR 47 Cb 0.15 -1.85 0.82 0.00 1.34 0.00 0.00 72.50 72.96 1sbz s THR 47 CO 0.86 -0.66 2.08 -0.81 -0.54 0.00 0.00 174.62 175.55 1sbz n PRO 48 N -0.14 0.90 -3.27 3.99 -0.04 -1.26 -4.57 135.00 130.61 1sbz n PRO 48 Ca -0.10 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.05 1sbz n PRO 48 Cb 0.60 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.52 1sbz n PRO 48 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1sbz s TYR 49 N -2.02 3.45 0.66 0.54 1.51 -1.26 -5.10 117.35 115.13 1sbz s TYR 49 Ca 0.43 0.84 -0.01 0.00 -1.01 0.00 0.00 57.07 57.32 1sbz s TYR 49 Cb 0.20 -2.25 0.09 0.00 -0.11 0.00 0.00 41.96 39.89 1sbz s TYR 49 CO 0.34 0.16 0.93 -1.54 -1.11 0.00 0.00 175.55 174.32 1sbz s SER 50 N -2.79 4.71 0.25 2.29 1.04 -1.26 -4.15 113.70 113.78 1sbz s SER 50 Ca 0.47 -0.13 -0.05 0.00 0.48 0.00 0.00 55.95 56.73 1sbz s SER 50 Cb -0.11 -0.46 0.28 0.00 0.10 0.00 0.00 66.02 65.84 1sbz s SER 50 CO 0.26 -1.59 1.83 0.00 0.98 0.00 0.00 173.24 174.72 1sbz h ALA 51 N -0.35 1.17 -0.51 5.32 0.00 -1.94 -2.44 119.26 120.52 1sbz h ALA 51 Ca -0.40 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 1sbz h ALA 51 Cb 1.28 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1sbz h ALA 51 CO 0.47 0.61 -0.07 0.00 0.00 0.00 0.00 179.25 180.26 1sbz h ARG 52 N 1.07 0.91 -0.65 0.00 -0.00 -1.98 0.15 114.38 113.87 1sbz h ARG 52 Ca 0.25 -0.30 0.08 0.00 -0.50 0.00 0.00 59.98 59.51 1sbz h ARG 52 Cb 0.16 -0.08 -0.07 0.00 0.00 0.00 0.00 29.97 29.99 1sbz h ARG 52 CO -0.03 0.95 0.32 -0.44 0.00 0.00 0.00 179.97 180.77 1sbz h ASP 53 N 0.83 0.41 -0.24 7.04 3.32 -1.88 -1.27 116.42 124.62 1sbz h ASP 53 Ca 0.14 0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.12 1sbz h ASP 53 Cb 0.59 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1sbz h ASP 53 CO 0.04 0.25 -0.34 0.58 -1.72 0.00 0.00 179.24 178.04 1sbz h VAL 54 N 0.56 1.31 -0.97 -1.35 2.07 -0.97 -3.00 116.25 113.90 1sbz h VAL 54 Ca 0.32 -1.54 0.14 0.00 0.82 0.00 0.00 66.70 66.43 1sbz h VAL 54 Cb 0.31 1.72 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 1sbz h VAL 54 CO -0.25 0.49 0.62 0.00 0.02 0.00 0.00 177.57 178.44 1sbz h ALA 55 N 0.65 1.63 0.00 1.67 0.00 -0.46 -0.22 119.26 122.52 1sbz h ALA 55 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sbz h ALA 55 Cb 0.93 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1sbz h ALA 55 CO 0.08 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1sbz n ALA 56 N -2.37 1.62 0.35 0.00 0.00 -0.50 -1.84 120.51 117.77 1sbz n ALA 56 Ca 0.19 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.82 1sbz n ALA 56 Cb 0.41 -1.34 0.43 0.00 0.00 0.00 0.00 19.45 18.96 1sbz n ALA 56 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1sbz h LEU 57 N 0.00 0.00 -9.85 0.00 4.07 -1.00 -3.46 115.31 105.08 1sbz h LEU 57 Ca 0.00 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.41 1sbz h LEU 57 Cb 0.31 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.99 1sbz h LEU 57 CO 0.00 0.00 -0.54 0.00 -1.08 0.00 0.00 178.44 176.82 1sbz s ALA 58 N -3.34 3.66 0.13 1.53 0.00 -0.77 -4.68 121.76 118.29 1sbz s ALA 58 Ca 0.06 -1.21 -0.10 0.00 0.00 0.00 0.00 51.96 50.70 1sbz s ALA 58 Cb 0.08 -1.44 -0.09 0.00 0.00 0.00 0.00 23.12 21.67 1sbz s ALA 58 CO 0.57 0.47 1.37 -0.44 0.00 0.00 0.00 175.76 177.73 1sbz h ASP 59 N 2.19 0.90 -4.63 0.00 3.32 -1.80 -3.45 116.42 112.95 1sbz h ASP 59 Ca -0.48 -0.54 -0.33 0.00 0.02 0.00 0.00 57.03 55.71 1sbz h ASP 59 Cb 1.21 -0.26 -0.22 0.00 0.22 0.00 0.00 39.33 40.28 1sbz h ASP 59 CO 0.64 1.33 -0.75 -0.36 -1.72 0.00 0.00 179.24 178.37 1sbz s PHE 60 N -3.91 0.86 -0.04 4.55 0.40 -0.67 -5.01 117.98 114.15 1sbz s PHE 60 Ca -0.10 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 1sbz s PHE 60 Cb 0.10 -0.50 0.03 0.00 0.51 0.00 0.00 43.02 43.15 1sbz s PHE 60 CO 0.89 -0.03 -0.01 0.45 0.70 0.00 0.00 175.22 177.22 1sbz s SER 61 N -1.56 0.76 0.12 1.36 0.15 -1.26 -0.98 113.70 112.30 1sbz s SER 61 Ca -0.07 -0.06 0.08 0.00 0.70 0.00 0.00 55.95 56.60 1sbz s SER 61 Cb -0.10 -0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 63.86 1sbz s SER 61 CO 0.01 -0.11 -0.10 -1.00 1.20 0.00 0.00 173.24 173.24 1sbz s HIS 62 N 1.18 2.70 0.10 3.44 3.76 0.08 -4.96 115.29 121.59 1sbz s HIS 62 Ca -0.07 -0.18 -0.30 0.00 -0.15 0.00 0.00 55.06 54.35 1sbz s HIS 62 Cb -0.13 -1.39 -0.06 0.00 1.11 0.00 0.00 32.58 32.10 1sbz s HIS 62 CO -0.02 0.45 1.19 1.21 -0.85 0.00 0.00 174.74 176.72 1sbz s ASN 63 N -2.37 7.10 0.32 1.40 3.84 -1.26 -4.56 114.94 119.41 1sbz s ASN 63 Ca 0.22 2.07 0.23 0.00 0.21 0.00 0.00 52.86 55.60 1sbz s ASN 63 Cb -0.10 -2.59 1.17 0.00 -0.55 0.00 0.00 41.25 39.18 1sbz s ASN 63 CO 0.14 -0.42 1.71 1.55 -2.79 0.00 0.00 177.10 177.29 1sbz h PRO 64 N 6.30 0.00 -0.01 0.43 0.13 -1.96 -0.22 132.00 136.66 1sbz h PRO 64 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1sbz h PRO 64 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1sbz h PRO 64 CO 0.79 0.00 -0.41 0.00 -0.23 0.00 0.00 178.00 178.15 1sbz n ALA 65 N -1.80 3.42 -2.73 -0.56 0.00 -1.26 0.73 120.51 118.32 1sbz n ALA 65 Ca -0.00 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.43 1sbz n ALA 65 Cb 0.10 -0.89 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 1sbz n ALA 65 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sbz s ASP 66 N -2.48 6.65 0.00 0.00 2.15 -0.10 -4.77 116.67 118.12 1sbz s ASP 66 Ca 0.20 -1.95 0.23 0.00 0.43 0.00 0.00 52.55 51.46 1sbz s ASP 66 Cb 0.18 -2.50 1.34 0.00 -0.30 0.00 0.00 42.92 41.65 1sbz s ASP 66 CO 0.56 -1.23 1.72 0.00 -0.17 0.00 0.00 175.17 176.04 1sbz n GLN 67 N 7.69 0.70 -0.15 4.34 1.13 -1.26 -2.78 117.38 127.05 1sbz n GLN 67 Ca 0.32 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.46 1sbz n GLN 67 Cb 0.49 -1.50 0.15 0.00 0.11 0.00 0.00 30.24 29.49 1sbz n GLN 67 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sbz n ALA 68 N -1.01 2.30 -1.03 -1.58 0.00 -1.26 -4.80 120.51 113.13 1sbz n ALA 68 Ca 0.17 -1.01 -0.32 0.00 0.00 0.00 0.00 53.44 52.28 1sbz n ALA 68 Cb 0.08 -0.53 0.13 0.00 0.00 0.00 0.00 19.45 19.13 1sbz n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sbz s ALA 69 N -1.05 1.85 0.20 0.00 0.00 -1.12 -4.92 121.76 116.73 1sbz s ALA 69 Ca 0.25 0.61 -0.11 0.00 0.00 0.00 0.00 51.96 52.71 1sbz s ALA 69 Cb 0.14 -3.42 0.26 0.00 0.00 0.00 0.00 23.12 20.10 1sbz s ALA 69 CO 0.19 -2.26 1.69 1.79 0.00 0.00 0.00 175.76 177.18 1sbz h THR 70 N -1.20 0.61 0.00 0.00 1.35 -1.95 -1.65 112.91 110.07 1sbz h THR 70 Ca -0.45 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1sbz h THR 70 Cb 1.27 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1sbz h THR 70 CO 0.46 0.04 0.00 2.30 -0.25 0.00 0.00 175.52 178.07 1sbz n ILE 71 N -5.18 0.28 0.88 6.82 -5.35 -1.26 -1.29 119.36 114.26 1sbz n ILE 71 Ca 0.08 0.07 0.13 0.00 -0.27 0.00 0.00 62.75 62.76 1sbz n ILE 71 Cb 0.31 -0.79 0.45 0.00 -1.74 0.00 0.00 39.64 37.87 1sbz n ILE 71 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1sbz n SER 72 N -1.16 0.34 -4.74 7.28 2.88 -0.62 -4.53 113.62 113.08 1sbz n SER 72 Ca 0.10 0.32 -0.35 0.00 -1.33 0.00 0.00 58.87 57.61 1sbz n SER 72 Cb 0.10 -0.34 -0.08 0.00 -0.75 0.00 0.00 64.21 63.14 1sbz n SER 72 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1sbz s SER 73 N -3.44 6.02 0.23 -3.46 0.15 -0.41 -4.92 113.70 107.86 1sbz s SER 73 Ca 0.12 0.25 -0.04 0.00 0.70 0.00 0.00 55.95 56.98 1sbz s SER 73 Cb 0.17 -2.00 0.23 0.00 -1.71 0.00 0.00 66.02 62.71 1sbz s SER 73 CO 0.60 0.26 1.68 1.23 1.20 0.00 0.00 173.24 178.21 1sbz h GLY 74 N 6.07 0.89 2.00 9.45 0.00 -1.87 -3.02 103.07 116.59 1sbz h GLY 74 Ca -0.45 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.19 1sbz h GLY 74 CO 0.68 0.62 -0.08 1.48 0.00 0.00 0.00 176.54 179.24 1sbz h SER 75 N 0.74 0.00 -2.60 0.19 4.64 -1.94 -3.38 113.55 111.19 1sbz h SER 75 Ca 0.12 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.91 1sbz h SER 75 Cb 0.60 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.62 1sbz h SER 75 CO 0.04 0.08 1.10 0.12 -0.87 0.00 0.00 176.83 177.30 1sbz s PHE 76 N -4.11 2.25 0.13 4.77 5.36 -1.14 -4.97 117.98 120.26 1sbz s PHE 76 Ca -0.03 0.32 -0.31 0.00 -0.96 0.00 0.00 56.93 55.95 1sbz s PHE 76 Cb 0.12 -4.46 -0.08 0.00 -0.34 0.00 0.00 43.02 38.27 1sbz s PHE 76 CO 0.55 -2.01 1.40 0.50 -1.46 0.00 0.00 175.22 174.20 1sbz s ARG 77 N 5.70 4.32 0.23 10.12 3.52 -1.26 -4.91 118.95 136.66 1sbz s ARG 77 Ca 0.47 2.10 0.02 0.00 -0.13 0.00 0.00 55.73 58.19 1sbz s ARG 77 Cb -0.10 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.01 1sbz s ARG 77 CO 0.21 -0.44 0.04 0.95 -0.81 0.00 0.00 175.30 175.25 1sbz s THR 78 N 1.02 0.75 -2.03 4.11 -4.23 -1.26 -4.88 115.64 109.12 1sbz s THR 78 Ca 0.64 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.40 1sbz s THR 78 Cb -0.37 -2.40 0.19 0.00 1.34 0.00 0.00 72.50 71.26 1sbz s THR 78 CO 0.31 -0.24 1.39 0.47 -0.54 0.00 0.00 174.62 176.00 1sbz n ASP 79 N -0.39 1.59 0.00 3.99 8.00 0.12 -4.94 116.55 124.93 1sbz n ASP 79 Ca -0.04 -1.27 0.00 0.00 0.71 0.00 0.00 54.79 54.20 1sbz n ASP 79 Cb 0.65 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.99 1sbz n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sbz n GLY 80 N 1.35 0.20 3.51 0.44 0.00 -1.23 -3.95 105.19 105.51 1sbz n GLY 80 Ca 0.12 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 1sbz n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sbz s ILE 82 N -4.00 -0.01 -0.27 -0.61 1.01 0.75 -1.35 121.20 116.72 1sbz s ILE 82 Ca 0.00 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.63 1sbz s ILE 82 Cb 0.00 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.62 1sbz s ILE 82 CO 0.00 0.01 0.02 -0.69 0.00 0.00 0.00 174.94 174.28 1sbz s VAL 83 N 1.27 3.57 -0.18 2.92 1.01 -0.39 -0.04 120.40 128.56 1sbz s VAL 83 Ca -0.08 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1sbz s VAL 83 Cb -0.06 -2.81 0.09 0.00 0.00 0.00 0.00 36.38 33.60 1sbz s VAL 83 CO -0.13 0.15 0.28 -0.51 0.00 0.00 0.00 175.10 174.88 1sbz s ILE 84 N 1.44 -0.43 0.79 2.22 2.07 -0.21 -0.88 121.20 126.21 1sbz s ILE 84 Ca 0.02 0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 59.19 1sbz s ILE 84 Cb -0.17 -0.62 0.07 0.00 0.13 0.00 0.00 42.46 41.87 1sbz s ILE 84 CO -0.00 -0.06 1.11 -2.16 -1.91 0.00 0.00 174.94 171.92 1sbz s PRO 85 N 2.42 2.11 -0.23 3.50 0.04 -1.26 -4.05 135.00 137.53 1sbz s PRO 85 Ca 0.06 0.50 -0.05 0.00 0.04 0.00 0.00 61.00 61.54 1sbz s PRO 85 Cb -0.14 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1sbz s PRO 85 CO -0.12 -1.57 -0.00 0.00 0.04 0.00 0.00 177.00 175.35 1sbz n SER 87 N 4.80 0.00 0.00 0.00 3.41 -1.26 -1.81 113.62 118.76 1sbz n SER 87 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 1sbz n SER 87 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1sbz n SER 87 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1sbz n LYS 89 N 0.00 0.00 -0.13 4.33 -0.00 -1.26 -1.23 118.16 119.87 1sbz n LYS 89 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1sbz n LYS 89 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.01 1sbz n LYS 89 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1sbz h THR 90 N 0.00 1.25 -0.41 0.58 2.02 -1.99 -0.79 112.91 113.57 1sbz h THR 90 Ca 0.00 -0.95 0.08 0.00 0.77 0.00 0.00 66.41 66.30 1sbz h THR 90 Cb 0.00 1.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.48 1sbz h THR 90 CO 0.00 0.32 -0.00 0.25 0.37 0.00 0.00 175.52 176.46 1sbz h LEU 91 N 0.48 -0.17 -0.85 2.58 7.12 -1.51 -1.28 115.31 121.67 1sbz h LEU 91 Ca 0.11 0.10 -0.04 0.00 0.13 0.00 0.00 57.88 58.17 1sbz h LEU 91 Cb 0.44 0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 40.70 1sbz h LEU 91 CO 0.02 -0.05 0.32 0.00 -0.13 0.00 0.00 178.44 178.60 1sbz h ALA 92 N 1.36 1.09 -0.38 1.25 0.00 -1.76 -1.77 119.26 119.05 1sbz h ALA 92 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1sbz h ALA 92 Cb 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1sbz h ALA 92 CO -0.34 0.65 0.16 0.78 0.00 0.00 0.00 179.25 180.51 1sbz h GLY 93 N 1.15 0.61 0.94 0.00 0.00 -0.73 -1.71 103.07 103.34 1sbz h GLY 93 Ca 0.26 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 1sbz h GLY 93 CO -0.02 0.30 0.15 -2.22 0.00 0.00 0.00 176.54 174.75 1sbz h ILE 94 N 0.48 1.20 -0.64 2.60 2.04 -1.05 0.65 117.51 122.79 1sbz h ILE 94 Ca 0.13 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1sbz h ILE 94 Cb 0.16 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1sbz h ILE 94 CO -0.01 0.23 0.36 -0.09 0.00 0.00 0.00 178.15 178.64 1sbz h ARG 95 N 0.51 0.88 0.00 2.37 1.12 -1.26 -2.22 114.38 115.78 1sbz h ARG 95 Ca 0.13 -0.09 -0.05 0.00 -1.11 0.00 0.00 59.98 58.86 1sbz h ARG 95 Cb 0.21 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 29.99 1sbz h ARG 95 CO -0.01 0.65 -0.22 0.00 -3.11 0.00 0.00 179.97 177.28 1sbz h ALA 96 N 1.18 0.95 0.00 2.80 0.00 -1.21 -3.47 119.26 119.51 1sbz h ALA 96 Ca 0.23 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sbz h ALA 96 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1sbz h ALA 96 CO -0.04 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1sbz n GLY 97 N 0.48 0.40 3.00 0.00 0.00 0.06 -4.97 105.19 104.15 1sbz n GLY 97 Ca 0.01 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 1sbz n GLY 97 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1sbz n TYR 98 N -2.99 3.74 -1.40 1.61 9.36 -0.25 -4.88 117.16 122.35 1sbz n TYR 98 Ca 0.00 -2.84 -0.40 0.00 3.32 0.00 0.00 57.90 57.97 1sbz n TYR 98 Cb 0.00 -2.53 -0.02 0.00 -0.63 0.00 0.00 39.34 36.15 1sbz n TYR 98 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1sbz n ALA 99 N 6.99 4.98 0.09 2.98 0.00 -1.26 -4.66 120.51 129.62 1sbz n ALA 99 Ca 0.51 -3.49 -0.04 0.00 0.00 0.00 0.00 53.44 50.43 1sbz n ALA 99 Cb 0.41 -3.51 -0.06 0.00 0.00 0.00 0.00 19.45 16.30 1sbz n ALA 99 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1sbz h ASP 100 N 6.53 0.00 -3.17 0.00 3.58 -1.91 -3.40 116.42 118.05 1sbz h ASP 100 Ca 0.55 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.86 1sbz h ASP 100 Cb 0.56 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 1sbz h ASP 100 CO 1.86 0.83 -0.11 0.61 -2.88 0.00 0.00 179.24 179.55 1sbz n GLY 101 N 1.24 3.93 0.12 -0.78 0.00 -1.26 -5.01 105.19 103.44 1sbz n GLY 101 Ca 0.01 -2.04 -0.02 0.00 0.00 0.00 0.00 46.02 43.97 1sbz n GLY 101 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1sbz h LEU 102 N 0.00 0.00 -0.30 0.99 5.85 0.03 -0.47 115.31 121.41 1sbz h LEU 102 Ca -0.08 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1sbz h LEU 102 Cb 0.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1sbz h LEU 102 CO 0.13 0.68 0.12 0.58 -0.34 0.00 0.00 178.44 179.61 1sbz h VAL 103 N 0.00 1.18 -0.31 1.05 2.07 -1.93 -0.41 116.25 117.90 1sbz h VAL 103 Ca -0.01 -0.55 -0.09 0.00 0.82 0.00 0.00 66.70 66.87 1sbz h VAL 103 Cb 1.26 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1sbz h VAL 103 CO 0.09 0.19 -0.16 1.23 0.02 0.00 0.00 177.57 178.94 1sbz h GLY 104 N 0.34 0.72 0.78 2.17 0.00 -1.90 -2.13 103.07 103.05 1sbz h GLY 104 Ca 0.10 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1sbz h GLY 104 CO -0.01 0.59 0.00 -0.09 0.00 0.00 0.00 176.54 177.04 1sbz h ARG 105 N 0.42 0.02 -0.82 4.80 9.65 -1.07 0.27 114.38 127.65 1sbz h ARG 105 Ca 0.07 -0.01 0.07 0.00 -1.10 0.00 0.00 59.98 59.01 1sbz h ARG 105 Cb 0.69 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.22 1sbz h ARG 105 CO 0.05 0.24 0.53 0.00 2.80 0.00 0.00 179.97 183.60 1sbz h ALA 106 N 0.78 1.63 -0.21 2.80 0.00 -1.10 0.25 119.26 123.40 1sbz h ALA 106 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1sbz h ALA 106 Cb 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sbz h ALA 106 CO 0.00 0.24 -0.15 0.00 0.00 0.00 0.00 179.25 179.34 1sbz h ALA 107 N 1.56 0.31 -0.67 0.00 0.00 -1.19 -0.66 119.26 118.61 1sbz h ALA 107 Ca 0.36 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1sbz h ALA 107 Cb 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1sbz h ALA 107 CO -0.13 0.20 0.41 0.22 0.00 0.00 0.00 179.25 179.94 1sbz h ASP 108 N 0.17 0.66 -0.07 0.00 3.58 -0.50 -1.69 116.42 118.57 1sbz h ASP 108 Ca 0.04 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1sbz h ASP 108 Cb 0.67 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.59 1sbz h ASP 108 CO 0.04 0.45 0.02 0.58 -2.88 0.00 0.00 179.24 177.46 1sbz h VAL 109 N 0.79 1.16 -0.62 2.25 2.07 -0.92 -1.17 116.25 119.81 1sbz h VAL 109 Ca 0.27 -0.49 0.13 0.00 0.82 0.00 0.00 66.70 67.44 1sbz h VAL 109 Cb 0.04 1.35 -0.10 0.00 -1.52 0.00 0.00 31.29 31.07 1sbz h VAL 109 CO -0.12 0.14 0.02 0.58 0.02 0.00 0.00 177.57 178.21 1sbz h VAL 110 N -0.06 0.50 -0.53 2.57 2.07 -0.91 -1.04 116.25 118.85 1sbz h VAL 110 Ca 0.02 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1sbz h VAL 110 Cb 0.20 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1sbz h VAL 110 CO -0.00 0.03 0.08 -0.07 0.02 0.00 0.00 177.57 177.62 1sbz h LEU 111 N 0.14 0.85 -1.31 2.57 3.38 -1.10 -0.77 115.31 119.06 1sbz h LEU 111 Ca 0.33 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1sbz h LEU 111 Cb 0.53 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1sbz h LEU 111 CO -0.52 0.90 -0.31 0.07 0.09 0.00 0.00 178.44 178.67 1sbz h LYS 112 N 0.77 0.00 -0.01 1.13 2.10 -0.70 -2.60 116.57 117.26 1sbz h LYS 112 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1sbz h LYS 112 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1sbz h LYS 112 CO 0.01 0.31 -0.12 0.39 -2.00 0.00 0.00 179.45 178.04 1sbz n GLU 113 N -3.82 0.82 -1.27 0.07 -0.58 -0.44 -4.92 120.64 110.50 1sbz n GLU 113 Ca -0.01 -0.34 -0.03 0.00 -0.42 0.00 0.00 57.16 56.36 1sbz n GLU 113 Cb 0.40 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.76 1sbz n GLU 113 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1sbz n GLY 114 N 1.27 0.53 3.94 0.62 0.00 -0.98 -5.04 105.19 105.53 1sbz n GLY 114 Ca 0.15 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 1sbz n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sbz s ARG 115 N -2.61 3.13 -0.09 1.61 0.52 -0.32 -5.03 118.95 116.15 1sbz s ARG 115 Ca 0.00 -0.31 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 1sbz s ARG 115 Cb 0.00 -2.49 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 1sbz s ARG 115 CO 0.00 -0.31 1.04 0.21 0.02 0.00 0.00 175.30 176.26 1sbz s LYS 116 N -4.64 4.42 -0.20 3.54 2.20 -1.25 -4.51 119.74 119.30 1sbz s LYS 116 Ca 0.49 1.44 -0.04 0.00 -0.36 0.00 0.00 55.97 57.49 1sbz s LYS 116 Cb -0.10 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1sbz s LYS 116 CO 0.40 -0.32 -0.02 -1.17 -0.36 0.00 0.00 175.35 173.88 1sbz s LEU 117 N 1.99 3.12 -0.20 5.43 2.96 -1.26 -4.36 118.68 126.35 1sbz s LEU 117 Ca 0.50 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 1sbz s LEU 117 Cb -0.19 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.73 1sbz s LEU 117 CO 0.19 0.05 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.42 1sbz s VAL 118 N 1.08 2.33 -0.02 1.68 1.01 -1.26 -1.54 120.40 123.68 1sbz s VAL 118 Ca 0.02 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.03 1sbz s VAL 118 Cb -0.14 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1sbz s VAL 118 CO 0.01 0.43 0.06 -0.76 0.00 0.00 0.00 175.10 174.84 1sbz s LEU 119 N 1.30 3.81 -0.75 3.92 1.02 0.29 -1.26 118.68 127.01 1sbz s LEU 119 Ca 0.03 0.14 0.03 0.00 0.02 0.00 0.00 54.13 54.35 1sbz s LEU 119 Cb -0.14 -2.14 0.21 0.00 0.02 0.00 0.00 46.19 44.14 1sbz s LEU 119 CO -0.10 0.30 0.70 0.52 0.02 0.00 0.00 176.35 177.79 1sbz n VAL 120 N 1.42 2.39 -2.31 -1.59 0.31 -0.06 -0.16 118.33 118.33 1sbz n VAL 120 Ca -0.15 -5.10 -0.41 0.00 -0.01 0.00 0.00 64.34 58.67 1sbz n VAL 120 Cb 0.53 -2.19 -0.03 0.00 -0.91 0.00 0.00 33.84 31.23 1sbz n VAL 120 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1sbz s PRO 121 N -1.87 4.44 -0.10 5.55 0.04 -1.26 0.33 135.00 142.13 1sbz s PRO 121 Ca 0.31 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 63.27 1sbz s PRO 121 Cb 0.02 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 31.37 1sbz s PRO 121 CO -0.09 -0.17 0.02 0.50 0.04 0.00 0.00 177.00 177.30 1sbz s ARG 122 N -0.07 0.53 0.13 4.56 3.00 -0.75 -4.17 118.95 122.17 1sbz s ARG 122 Ca 0.55 0.00 -0.24 0.00 -1.00 0.00 0.00 55.73 55.04 1sbz s ARG 122 Cb -0.34 -1.24 0.08 0.00 0.00 0.00 0.00 34.95 33.45 1sbz s ARG 122 CO 0.37 -0.40 1.11 -2.00 0.00 0.00 0.00 175.30 174.37 1sbz s GLU 123 N 1.98 1.06 1.11 5.12 2.56 -1.26 -4.73 118.70 124.53 1sbz s GLU 123 Ca 0.04 -0.68 -0.19 0.00 0.00 0.00 0.00 54.97 54.14 1sbz s GLU 123 Cb -0.14 0.30 0.09 0.00 2.00 0.00 0.00 34.13 36.38 1sbz s GLU 123 CO -0.06 -0.49 -0.03 -2.30 -0.56 0.00 0.00 175.26 171.81 1sbz n PRO 125 N -0.74 -1.45 -3.42 4.30 -0.02 -1.26 -5.05 135.00 127.35 1sbz n PRO 125 Ca -0.01 -0.41 -0.38 0.00 -2.02 0.00 0.00 63.50 60.68 1sbz n PRO 125 Cb 0.59 -1.68 -0.06 0.00 -0.02 0.00 0.00 33.50 32.33 1sbz n PRO 125 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1sbz s LEU 126 N -0.88 4.39 0.56 2.45 1.43 -1.26 -5.10 118.68 120.27 1sbz s LEU 126 Ca 0.55 0.90 0.10 0.00 -1.03 0.00 0.00 54.13 54.65 1sbz s LEU 126 Cb -0.12 -2.63 0.08 0.00 0.03 0.00 0.00 46.19 43.56 1sbz s LEU 126 CO 0.66 0.19 0.78 -0.94 0.23 0.00 0.00 176.35 177.27 1sbz s SER 127 N -0.37 5.14 0.28 2.29 1.04 -1.26 -4.94 113.70 115.87 1sbz s SER 127 Ca 0.24 -0.82 -0.03 0.00 0.48 0.00 0.00 55.95 55.83 1sbz s SER 127 Cb -0.16 0.24 0.41 0.00 0.10 0.00 0.00 66.02 66.60 1sbz s SER 127 CO 0.12 -1.30 1.93 0.74 0.98 0.00 0.00 173.24 175.70 1sbz h THR 128 N 0.21 1.16 -0.08 2.02 2.02 -1.99 -1.60 112.91 114.65 1sbz h THR 128 Ca -0.30 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 1sbz h THR 128 Cb 1.29 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1sbz h THR 128 CO 0.41 0.22 0.01 0.40 0.37 0.00 0.00 175.52 176.93 1sbz h ILE 129 N 1.18 1.21 -0.37 3.11 2.04 -1.99 -0.02 117.51 122.68 1sbz h ILE 129 Ca 0.37 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.64 1sbz h ILE 129 Cb 0.00 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.52 1sbz h ILE 129 CO -0.11 0.19 -0.05 0.45 0.00 0.00 0.00 178.15 178.62 1sbz h HIS 130 N -0.10 -0.12 -0.55 1.37 3.86 -1.88 -1.49 115.15 116.23 1sbz h HIS 130 Ca 0.02 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 1sbz h HIS 130 Cb 0.28 0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1sbz h HIS 130 CO 0.02 -0.12 0.04 -0.07 0.86 0.00 0.00 177.93 178.65 1sbz h LEU 131 N 0.04 0.87 -0.13 2.43 3.38 -1.14 -2.96 115.31 117.80 1sbz h LEU 131 Ca 0.18 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1sbz h LEU 131 Cb 0.27 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1sbz h LEU 131 CO -0.35 0.91 0.08 -0.33 0.09 0.00 0.00 178.44 178.84 1sbz h GLU 132 N 0.85 0.18 -1.07 1.13 5.08 -0.59 -0.74 114.58 119.42 1sbz h GLU 132 Ca 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1sbz h GLU 132 Cb 0.44 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1sbz h GLU 132 CO 0.02 0.15 0.00 0.09 -1.00 0.00 0.00 179.01 178.27 1sbz n ASN 133 N -4.98 0.42 0.00 1.42 5.03 -0.60 -1.36 115.26 115.20 1sbz n ASN 133 Ca -0.05 -0.40 0.00 0.00 0.87 0.00 0.00 54.58 55.01 1sbz n ASN 133 Cb 0.04 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.70 1sbz n ASN 133 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1sbz n LEU 135 N 0.67 0.00 -0.18 3.41 7.94 -0.28 -2.59 117.00 125.97 1sbz n LEU 135 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.88 1sbz n LEU 135 Cb 0.08 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.11 1sbz n LEU 135 CO 0.00 0.00 0.97 0.00 -1.11 0.00 0.00 177.39 177.25 1sbz h ALA 136 N 0.00 0.69 -0.16 1.96 0.00 -1.47 -0.73 119.26 119.55 1sbz h ALA 136 Ca 0.00 0.08 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1sbz h ALA 136 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sbz h ALA 136 CO 0.00 -0.21 -0.72 -0.07 0.00 0.00 0.00 179.25 178.26 1sbz h LEU 137 N 0.37 0.83 -0.55 0.00 3.38 -1.77 -3.11 115.31 114.47 1sbz h LEU 137 Ca 0.27 -0.52 0.09 0.00 0.09 0.00 0.00 57.88 57.81 1sbz h LEU 137 Cb 0.32 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 1sbz h LEU 137 CO -0.28 1.30 0.16 -1.28 0.09 0.00 0.00 178.44 178.43 1sbz h SER 138 N 0.50 0.10 0.00 -0.43 0.87 -1.60 -2.14 113.55 110.85 1sbz h SER 138 Ca -0.03 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1sbz h SER 138 Cb 1.32 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1sbz h SER 138 CO 0.14 0.08 0.00 0.54 -0.53 0.00 0.00 176.83 177.06 1sbz n ARG 139 N -5.06 0.00 0.00 2.24 1.74 -0.32 -3.91 116.66 111.36 1sbz n ARG 139 Ca 0.07 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1sbz n ARG 139 Cb 0.26 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1sbz n ARG 139 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sbz n GLY 141 N 1.85 -0.36 3.68 -0.13 0.00 -1.17 -5.13 105.19 103.93 1sbz n GLY 141 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1sbz n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sbz s VAL 142 N -0.08 3.63 0.00 1.61 1.01 -0.81 -4.78 120.40 120.98 1sbz s VAL 142 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1sbz s VAL 142 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1sbz s VAL 142 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.08 1sbz n ALA 143 N 5.67 0.00 0.00 5.51 0.00 -0.59 -4.09 120.51 127.02 1sbz n ALA 143 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1sbz n ALA 143 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1sbz n ALA 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sbz n VAL 145 N -1.13 0.00 -2.00 0.00 0.31 0.78 -0.54 118.33 115.74 1sbz n VAL 145 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 1sbz n VAL 145 Cb 0.00 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 32.95 1sbz n VAL 145 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1sbz s PRO 146 N 0.00 3.32 0.38 5.55 0.04 -1.26 -4.26 135.00 138.76 1sbz s PRO 146 Ca 0.00 1.98 -0.25 0.00 0.04 0.00 0.00 61.00 62.78 1sbz s PRO 146 Cb 0.00 -2.24 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 1sbz s PRO 146 CO 0.00 -0.97 1.02 -1.25 0.04 0.00 0.00 177.00 175.84 1sbz s PRO 147 N -2.93 4.29 0.01 0.56 0.04 -1.26 -4.96 135.00 130.75 1sbz s PRO 147 Ca 0.70 1.45 0.06 0.00 0.04 0.00 0.00 61.00 63.25 1sbz s PRO 147 Cb -0.34 -2.61 -0.02 0.00 0.04 0.00 0.00 34.50 31.58 1sbz s PRO 147 CO 0.40 -0.02 -0.18 -1.25 0.04 0.00 0.00 177.00 175.99 1sbz s PRO 149 N -2.39 1.34 -0.09 0.56 0.04 -1.26 -5.07 135.00 128.13 1sbz s PRO 149 Ca 0.56 -0.72 -0.02 0.00 0.04 0.00 0.00 61.00 60.85 1sbz s PRO 149 Cb -0.21 -1.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.95 1sbz s PRO 149 CO 0.26 0.36 0.02 0.00 0.04 0.00 0.00 177.00 177.68 1sbz s ALA 150 N -0.56 3.36 -0.30 8.56 0.00 -1.26 -5.02 121.76 126.53 1sbz s ALA 150 Ca 0.06 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1sbz s ALA 150 Cb -0.07 -1.54 -0.00 0.00 0.00 0.00 0.00 23.12 21.50 1sbz s ALA 150 CO 0.00 0.59 0.38 1.19 0.00 0.00 0.00 175.76 177.92 1sbz n PHE 151 N 2.13 0.00 0.23 0.00 3.01 -1.26 -4.63 117.46 116.94 1sbz n PHE 151 Ca -0.19 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.38 1sbz n PHE 151 Cb 0.54 0.00 0.45 0.00 -0.01 0.00 0.00 39.48 40.46 1sbz n PHE 151 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 1sbz h TYR 152 N 0.36 0.00 -0.56 1.38 -0.00 -1.99 -2.75 116.97 113.40 1sbz h TYR 152 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1sbz h TYR 152 Cb 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.84 1sbz h TYR 152 CO 0.00 0.20 0.00 0.27 -0.00 0.00 0.00 178.16 178.63 1sbz n ASN 153 N -3.32 4.02 -3.54 0.10 0.23 -1.26 -4.98 115.26 106.51 1sbz n ASN 153 Ca 0.01 -2.33 -0.23 0.00 -0.53 0.00 0.00 54.58 51.50 1sbz n ASN 153 Cb 0.44 -0.52 0.03 0.00 -2.08 0.00 0.00 39.78 37.65 1sbz n ASN 153 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1sbz n HIS 154 N 0.98 -2.18 -1.69 -2.53 8.25 -1.04 -4.98 115.22 112.03 1sbz n HIS 154 Ca 0.22 0.67 -0.34 0.00 -0.26 0.00 0.00 57.72 58.01 1sbz n HIS 154 Cb 0.74 -3.53 0.06 0.00 1.12 0.00 0.00 29.99 28.39 1sbz n HIS 154 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1sbz s PRO 155 N -5.11 2.59 0.00 -0.41 0.04 -1.26 -4.98 135.00 125.87 1sbz s PRO 155 Ca 0.31 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1sbz s PRO 155 Cb -0.10 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1sbz s PRO 155 CO 0.83 -1.45 0.00 0.39 0.04 0.00 0.00 177.00 176.82 1sbz n GLU 156 N -2.37 0.00 -4.48 4.56 -0.58 -1.26 -5.09 120.64 111.42 1sbz n GLU 156 Ca 0.12 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.59 1sbz n GLU 156 Cb 0.51 -0.90 -0.10 0.00 -0.57 0.00 0.00 31.44 30.38 1sbz n GLU 156 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1sbz s THR 157 N -1.88 2.15 0.21 2.62 -4.23 -1.26 -5.03 115.64 108.21 1sbz s THR 157 Ca 0.00 -1.96 -0.10 0.00 -1.18 0.00 0.00 61.69 58.45 1sbz s THR 157 Cb 0.00 -2.94 0.15 0.00 1.34 0.00 0.00 72.50 71.05 1sbz s THR 157 CO 0.00 -0.04 1.86 0.58 -0.54 0.00 0.00 174.62 176.48 1sbz h VAL 158 N 1.73 1.20 -0.77 2.29 2.07 -2.00 -2.38 116.25 118.39 1sbz h VAL 158 Ca -0.43 -0.41 0.14 0.00 0.82 0.00 0.00 66.70 66.82 1sbz h VAL 158 Cb 1.24 0.14 -0.09 0.00 -1.52 0.00 0.00 31.29 31.06 1sbz h VAL 158 CO 0.76 0.20 0.32 0.44 0.02 0.00 0.00 177.57 179.32 1sbz h ASP 159 N 1.01 0.32 -0.57 0.57 5.19 -1.99 0.45 116.42 121.40 1sbz h ASP 159 Ca 0.27 0.11 0.10 0.00 -0.62 0.00 0.00 57.03 56.89 1sbz h ASP 159 Cb -0.07 0.07 -0.08 0.00 0.18 0.00 0.00 39.33 39.43 1sbz h ASP 159 CO -0.05 0.12 0.14 0.44 -3.12 0.00 0.00 179.24 176.76 1sbz h ASP 160 N 0.47 0.04 -0.19 6.45 3.32 -1.83 -0.61 116.42 124.07 1sbz h ASP 160 Ca 0.42 0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.49 1sbz h ASP 160 Cb 0.63 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 1sbz h ASP 160 CO -0.40 0.04 -0.19 0.40 -1.72 0.00 0.00 179.24 177.37 1sbz h ILE 161 N 0.28 1.33 -0.38 0.35 2.04 -1.14 -2.75 117.51 117.23 1sbz h ILE 161 Ca 0.29 -1.35 0.04 0.00 1.00 0.00 0.00 64.86 64.85 1sbz h ILE 161 Cb 0.41 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1sbz h ILE 161 CO -0.36 0.41 0.14 0.58 0.00 0.00 0.00 178.15 178.91 1sbz h VAL 162 N 0.13 0.90 -0.07 1.67 2.07 -0.66 -1.87 116.25 118.42 1sbz h VAL 162 Ca 0.03 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 1sbz h VAL 162 Cb 0.73 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1sbz h VAL 162 CO 0.05 0.05 -0.40 0.45 0.02 0.00 0.00 177.57 177.74 1sbz h HIS 163 N 0.30 0.17 -0.29 1.57 3.86 -1.14 -0.65 115.15 118.97 1sbz h HIS 163 Ca 0.17 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.24 1sbz h HIS 163 Cb 0.14 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1sbz h HIS 163 CO -0.14 0.54 -0.21 1.25 0.86 0.00 0.00 177.93 180.22 1sbz h HIS 164 N 0.13 0.77 0.05 2.45 6.17 -1.22 -1.33 115.15 122.17 1sbz h HIS 164 Ca 0.01 -0.21 -0.00 0.00 0.71 0.00 0.00 60.37 60.88 1sbz h HIS 164 Cb 0.77 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.53 1sbz h HIS 164 CO 0.01 0.92 -0.03 0.28 0.71 0.00 0.00 177.93 179.83 1sbz h VAL 165 N 0.40 0.95 -0.39 5.26 2.07 -1.02 -2.09 116.25 121.44 1sbz h VAL 165 Ca 0.06 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.62 1sbz h VAL 165 Cb 0.76 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.44 1sbz h VAL 165 CO 0.06 0.00 0.06 0.58 0.02 0.00 0.00 177.57 178.29 1sbz h VAL 166 N -0.08 0.78 -0.81 2.57 2.07 -1.11 0.05 116.25 119.72 1sbz h VAL 166 Ca -0.01 -0.06 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1sbz h VAL 166 Cb 0.06 0.58 -0.07 0.00 -1.52 0.00 0.00 31.29 30.35 1sbz h VAL 166 CO 0.01 0.03 0.47 0.00 0.02 0.00 0.00 177.57 178.10 1sbz h ALA 167 N 1.30 1.14 0.00 1.67 0.00 -1.10 -0.37 119.26 121.91 1sbz h ALA 167 Ca 0.19 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1sbz h ALA 167 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1sbz h ALA 167 CO -0.26 0.12 -0.62 0.00 0.00 0.00 0.00 179.25 178.49 1sbz h ARG 168 N 0.81 0.00 -0.04 0.00 2.47 -0.65 -1.41 114.38 115.56 1sbz h ARG 168 Ca 0.38 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.09 1sbz h ARG 168 Cb 0.31 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1sbz h ARG 168 CO -0.23 0.62 -0.01 0.28 0.56 0.00 0.00 179.97 181.19 1sbz h VAL 169 N 0.00 1.30 -0.72 2.04 2.07 -0.63 -3.27 116.25 117.04 1sbz h VAL 169 Ca -0.01 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.65 1sbz h VAL 169 Cb 1.25 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 1sbz h VAL 169 CO 0.08 0.25 0.47 -0.07 0.02 0.00 0.00 177.57 178.32 1sbz h LEU 170 N -0.27 0.66 -1.79 2.57 4.07 -0.90 -1.44 115.31 118.21 1sbz h LEU 170 Ca 0.01 0.00 0.35 0.00 0.08 0.00 0.00 57.88 58.32 1sbz h LEU 170 Cb 0.41 -0.14 -0.07 0.00 1.08 0.00 0.00 40.66 41.94 1sbz h LEU 170 CO 0.00 0.43 0.85 0.44 -1.08 0.00 0.00 178.44 179.08 1sbz h ASP 171 N 0.75 0.13 0.18 -0.43 3.32 -1.31 0.12 116.42 119.18 1sbz h ASP 171 Ca 0.31 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.39 1sbz h ASP 171 Cb 0.25 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.82 1sbz h ASP 171 CO -0.10 0.01 -0.03 1.56 -1.72 0.00 0.00 179.24 178.95 1sbz h GLN 172 N 0.10 0.00 -0.20 3.56 1.08 -1.39 -1.98 115.11 116.29 1sbz h GLN 172 Ca 0.62 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.79 1sbz h GLN 172 Cb 2.20 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.62 1sbz h GLN 172 CO -0.11 0.03 -0.03 1.19 -0.95 0.00 0.00 178.83 178.96 1sbz n PHE 173 N -3.47 0.69 -2.16 2.96 3.01 0.39 -4.96 117.46 113.92 1sbz n PHE 173 Ca -0.02 -1.05 -0.19 0.00 1.01 0.00 0.00 57.45 57.20 1sbz n PHE 173 Cb 0.14 -0.30 -0.03 0.00 -0.01 0.00 0.00 39.48 39.28 1sbz n PHE 173 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sbz n GLY 174 N -0.87 0.18 3.88 1.37 0.00 -0.74 -4.98 105.19 104.02 1sbz n GLY 174 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1sbz n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sbz s LEU 175 N -5.54 4.39 -0.40 0.99 1.43 -1.03 -5.00 118.68 113.52 1sbz s LEU 175 Ca 0.00 0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 53.59 1sbz s LEU 175 Cb 0.00 -2.56 0.04 0.00 0.03 0.00 0.00 46.19 43.71 1sbz s LEU 175 CO 0.00 0.29 0.25 -1.61 0.23 0.00 0.00 176.35 175.51 1sbz s GLU 176 N -1.53 2.81 -0.05 1.70 8.01 -1.26 -3.82 118.70 124.56 1sbz s GLU 176 Ca 0.25 -1.18 -0.30 0.00 0.01 0.00 0.00 54.97 53.75 1sbz s GLU 176 Cb -0.13 -3.82 -0.04 0.00 -4.31 0.00 0.00 34.13 25.83 1sbz s GLU 176 CO 0.13 -0.80 1.28 -1.58 0.01 0.00 0.00 175.26 174.31 1sbz s HIS 177 N 1.55 3.03 -2.00 1.61 5.65 -1.26 -4.93 115.29 118.94 1sbz s HIS 177 Ca 0.03 1.05 0.18 0.00 0.25 0.00 0.00 55.06 56.56 1sbz s HIS 177 Cb -0.20 -3.52 1.07 0.00 -1.18 0.00 0.00 32.58 28.75 1sbz s HIS 177 CO 0.06 -1.76 1.56 -0.35 -0.65 0.00 0.00 174.74 173.60 1sbz n PRO 178 N 5.43 0.80 -0.84 2.88 -0.04 -1.26 -2.90 135.00 139.07 1sbz n PRO 178 Ca 0.12 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.63 1sbz n PRO 178 Cb 0.45 -1.35 0.11 0.00 -0.04 0.00 0.00 33.50 32.68 1sbz n PRO 178 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sbz n TYR 179 N -0.85 0.00 -2.33 0.54 4.02 -1.26 -5.07 117.16 112.21 1sbz n TYR 179 Ca 0.13 -0.93 -0.42 0.00 -0.01 0.00 0.00 57.90 56.67 1sbz n TYR 179 Cb 0.06 -0.18 -0.03 0.00 -0.02 0.00 0.00 39.34 39.17 1sbz n TYR 179 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sbz s ALA 180 N -1.73 3.46 -0.76 -0.72 0.00 -1.14 -4.91 121.76 115.97 1sbz s ALA 180 Ca 0.32 0.97 -0.08 0.00 0.00 0.00 0.00 51.96 53.18 1sbz s ALA 180 Cb 0.33 -3.46 0.20 0.00 0.00 0.00 0.00 23.12 20.19 1sbz s ALA 180 CO -0.09 -0.46 0.64 1.03 0.00 0.00 0.00 175.76 176.89 1sbz s ARG 181 N 0.44 3.15 0.42 0.00 0.52 -1.26 -5.07 118.95 117.14 1sbz s ARG 181 Ca 0.57 -2.62 -0.06 0.00 -0.52 0.00 0.00 55.73 53.10 1sbz s ARG 181 Cb -0.33 -4.08 -0.05 0.00 0.52 0.00 0.00 34.95 31.02 1sbz s ARG 181 CO 0.33 -1.23 0.72 1.03 0.02 0.00 0.00 175.30 176.17 1sbz s ARG 182 N -0.18 3.61 0.07 3.54 0.52 -1.26 -4.86 118.95 120.40 1sbz s ARG 182 Ca 0.19 0.19 -0.31 0.00 -0.52 0.00 0.00 55.73 55.28 1sbz s ARG 182 Cb -0.14 -2.45 -0.07 0.00 0.52 0.00 0.00 34.95 32.80 1sbz s ARG 182 CO -0.07 -0.06 1.49 -0.46 0.02 0.00 0.00 175.30 176.23 1sbz s TRP 183 N -2.49 2.85 -0.47 -0.53 -0.11 -1.26 -4.93 118.94 112.01 1sbz s TRP 183 Ca 0.47 0.68 0.16 0.00 1.22 0.00 0.00 56.10 58.63 1sbz s TRP 183 Cb -0.10 -3.79 -0.20 0.00 -1.50 0.00 0.00 33.47 27.88 1sbz s TRP 183 CO 0.38 -2.96 0.54 0.00 -4.62 0.00 0.00 176.95 170.29 1sbz n GLN 184 N 4.90 1.37 0.00 5.86 0.00 -1.26 -5.25 117.38 123.01 1sbz n GLN 184 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 57.00 57.08 1sbz n GLN 184 Cb 0.42 -1.28 0.00 0.00 0.00 0.00 0.00 30.24 29.37 1sbz n GLN 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47