#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iii s LYS 3 N 0.00 1.18 -0.10 0.00 -2.85 -0.58 -4.93 119.74 112.47 2iii s LYS 3 Ca 0.00 -1.48 -0.08 0.00 -1.00 0.00 0.00 55.97 53.41 2iii s LYS 3 Cb 0.00 -0.91 -0.04 0.00 -2.06 0.00 0.00 37.83 34.82 2iii s LYS 3 CO 0.00 0.15 0.18 -0.08 0.10 0.00 0.00 175.35 175.69 2iii s THR 4 N -2.95 5.45 -0.32 3.79 -1.32 -1.26 -1.76 115.64 117.27 2iii s THR 4 Ca 0.18 0.26 0.20 0.00 -1.21 0.00 0.00 61.69 61.12 2iii s THR 4 Cb -0.00 -3.45 0.19 0.00 -1.51 0.00 0.00 72.50 67.73 2iii s THR 4 CO 0.04 0.59 1.44 -0.07 -2.21 0.00 0.00 174.62 174.41 2iii h LEU 5 N 4.85 0.00 -7.08 9.08 3.38 -1.09 -3.45 115.31 121.00 2iii h LEU 5 Ca -0.54 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 2iii h LEU 5 Cb 1.23 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.86 2iii h LEU 5 CO 0.59 0.17 0.18 -0.83 0.09 0.00 0.00 178.44 178.65 2iii s GLY 6 N -4.33 -0.56 -0.10 0.83 0.00 -1.03 -2.54 107.32 99.58 2iii s GLY 6 Ca 0.05 0.40 0.03 0.00 0.00 0.00 0.00 44.72 45.20 2iii s GLY 6 CO 0.71 0.10 -0.21 -2.27 0.00 0.00 0.00 173.10 171.44 2iii s LEU 7 N -2.76 1.98 -0.18 0.66 2.96 -0.28 -0.82 118.68 120.23 2iii s LEU 7 Ca 0.02 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2iii s LEU 7 Cb -0.01 -1.28 0.03 0.00 0.50 0.00 0.00 46.19 45.43 2iii s LEU 7 CO -0.12 0.12 -0.15 -2.28 -1.32 0.00 0.00 176.35 172.60 2iii s HIS 8 N 0.49 2.57 -0.16 5.38 5.65 0.05 -1.83 115.29 127.44 2iii s HIS 8 Ca -0.16 -1.58 -0.03 0.00 0.25 0.00 0.00 55.06 53.54 2iii s HIS 8 Cb -0.17 -1.76 -0.02 0.00 -1.18 0.00 0.00 32.58 29.44 2iii s HIS 8 CO 0.06 -0.76 -0.06 0.42 -0.65 0.00 0.00 174.74 173.76 2iii s ILE 9 N 1.35 3.67 -0.00 0.89 1.01 0.44 -0.62 121.20 127.94 2iii s ILE 9 Ca 0.02 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.29 2iii s ILE 9 Cb -0.14 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 2iii s ILE 9 CO -0.10 0.49 -0.15 -1.48 0.00 0.00 0.00 174.94 173.70 2iii s LEU 10 N 0.45 2.05 -0.04 2.97 2.34 -0.65 -0.06 118.68 125.75 2iii s LEU 10 Ca -0.05 -0.31 -0.07 0.00 0.06 0.00 0.00 54.13 53.77 2iii s LEU 10 Cb -0.15 -0.77 0.01 0.00 -0.56 0.00 0.00 46.19 44.72 2iii s LEU 10 CO 0.03 0.17 0.16 0.00 -1.06 0.00 0.00 176.35 175.65 2iii s ALA 11 N -0.43 -0.38 -0.26 1.48 0.00 -0.29 -1.56 121.76 120.31 2iii s ALA 11 Ca 0.05 0.23 -0.06 0.00 0.00 0.00 0.00 51.96 52.18 2iii s ALA 11 Cb -0.06 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 2iii s ALA 11 CO -0.00 -0.13 0.04 -0.51 0.00 0.00 0.00 175.76 175.15 2iii s ASP 12 N -0.52 4.87 -0.24 0.00 1.01 0.10 -0.81 116.67 121.09 2iii s ASP 12 Ca -0.06 -0.50 -0.10 0.00 0.71 0.00 0.00 52.55 52.60 2iii s ASP 12 Cb -0.04 -1.84 -0.05 0.00 1.01 0.00 0.00 42.92 42.00 2iii s ASP 12 CO 0.01 -0.10 0.13 -0.76 0.21 0.00 0.00 175.17 174.66 2iii s LEU 13 N 1.52 3.95 0.26 1.23 1.43 0.19 -2.20 118.68 125.05 2iii s LEU 13 Ca 0.04 0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.28 2iii s LEU 13 Cb -0.16 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 2iii s LEU 13 CO 0.01 0.05 -0.02 -0.31 0.23 0.00 0.00 176.35 176.32 2iii s TYR 14 N 1.12 2.68 -0.69 0.29 2.02 -0.03 -1.97 117.35 120.77 2iii s TYR 14 Ca 0.06 -0.22 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 2iii s TYR 14 Cb -0.14 -1.20 0.00 0.00 -0.40 0.00 0.00 41.96 40.22 2iii s TYR 14 CO 0.05 0.62 0.00 0.41 -1.57 0.00 0.00 175.55 175.05 2iii n GLY 15 N -0.81 0.59 3.72 0.71 0.00 -0.88 -0.34 105.19 108.18 2iii n GLY 15 Ca -0.07 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 44.88 2iii n GLY 15 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iii s VAL 16 N -2.30 5.04 0.19 1.61 1.01 -0.30 -3.87 120.40 121.79 2iii s VAL 16 Ca 0.00 1.46 -0.33 0.00 0.00 0.00 0.00 61.98 63.11 2iii s VAL 16 Cb 0.00 -4.05 -0.14 0.00 0.00 0.00 0.00 36.38 32.20 2iii s VAL 16 CO 0.00 0.25 1.50 0.47 0.00 0.00 0.00 175.10 177.32 2iii n ASP 17 N 3.80 2.93 -0.05 3.32 10.43 -1.26 -4.30 116.55 131.41 2iii n ASP 17 Ca -0.01 1.11 0.12 0.00 2.57 0.00 0.00 54.79 58.58 2iii n ASP 17 Cb 0.51 -1.42 0.52 0.00 1.84 0.00 0.00 41.12 42.57 2iii n ASP 17 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2iii h ALA 18 N 5.19 2.03 0.00 2.24 0.00 -1.95 -1.75 119.26 125.02 2iii h ALA 18 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2iii h ALA 18 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2iii h ALA 18 CO 0.83 -0.15 0.00 0.38 0.00 0.00 0.00 179.25 180.31 2iii h ASP 19 N 0.37 0.00 1.21 0.00 2.03 -1.94 -2.40 116.42 115.68 2iii h ASP 19 Ca 0.25 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.55 2iii h ASP 19 Cb 0.51 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.01 2iii h ASP 19 CO -0.06 0.00 -0.31 0.11 -1.03 0.00 0.00 179.24 177.94 2iii h LYS 20 N 0.00 0.00 0.00 4.15 1.57 -1.68 -3.38 116.57 117.23 2iii h LYS 20 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2iii h LYS 20 Cb 0.51 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.69 2iii h LYS 20 CO 0.00 0.00 -0.61 0.44 -0.57 0.00 0.00 179.45 178.71 2iii n ILE 21 N -2.24 0.35 -0.04 1.86 -5.35 -1.09 -4.64 119.36 108.20 2iii n ILE 21 Ca 0.04 -0.77 -0.09 0.00 -0.27 0.00 0.00 62.75 61.66 2iii n ILE 21 Cb 0.44 0.53 -0.14 0.00 -1.74 0.00 0.00 39.64 38.72 2iii n ILE 21 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2iii n ASP 22 N -0.07 0.69 -4.60 7.28 3.85 -0.92 -4.35 116.55 118.42 2iii n ASP 22 Ca 0.05 0.31 -0.24 0.00 -0.71 0.00 0.00 54.79 54.20 2iii n ASP 22 Cb 0.83 0.18 -0.09 0.00 -1.35 0.00 0.00 41.12 40.69 2iii n ASP 22 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 2iii s ARG 23 N -2.57 2.02 0.22 0.11 1.81 -1.26 -0.83 118.95 118.45 2iii s ARG 23 Ca -0.06 -1.72 -0.08 0.00 -1.72 0.00 0.00 55.73 52.15 2iii s ARG 23 Cb 0.07 -1.92 0.19 0.00 -0.45 0.00 0.00 34.95 32.85 2iii s ARG 23 CO 0.82 0.20 1.86 0.28 -0.68 0.00 0.00 175.30 177.79 2iii h VAL 24 N 1.92 1.24 -0.84 3.52 2.07 -1.89 -2.69 116.25 119.59 2iii h VAL 24 Ca -0.42 -0.54 0.21 0.00 0.82 0.00 0.00 66.70 66.76 2iii h VAL 24 Cb 1.25 0.07 -0.13 0.00 -1.52 0.00 0.00 31.29 30.96 2iii h VAL 24 CO 0.65 0.25 0.23 -0.33 0.02 0.00 0.00 177.57 178.40 2iii h GLU 25 N 1.16 0.25 0.12 1.57 3.07 -1.99 0.13 114.58 118.89 2iii h GLU 25 Ca 0.30 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.14 2iii h GLU 25 Cb -0.02 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.83 2iii h GLU 25 CO -0.05 0.16 -0.06 -0.44 -1.40 0.00 0.00 179.01 177.22 2iii h ASP 26 N 0.25 -0.14 -0.60 1.42 3.32 -1.80 -1.47 116.42 117.41 2iii h ASP 26 Ca 0.51 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 2iii h ASP 26 Cb 0.96 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 2iii h ASP 26 CO -0.59 0.02 0.36 0.40 -1.72 0.00 0.00 179.24 177.70 2iii h ILE 27 N -0.28 1.18 0.03 0.35 1.08 -1.16 -0.62 117.51 118.09 2iii h ILE 27 Ca -0.02 -0.41 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 2iii h ILE 27 Cb 0.23 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 34.34 2iii h ILE 27 CO 0.03 0.19 -0.03 -0.09 -0.69 0.00 0.00 178.15 177.55 2iii h ARG 28 N 0.81 -0.07 -0.42 2.37 2.43 -0.76 0.13 114.38 118.88 2iii h ARG 28 Ca 0.22 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.40 2iii h ARG 28 Cb -0.01 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 2iii h ARG 28 CO -0.04 -0.05 0.26 0.93 -1.51 0.00 0.00 179.97 179.57 2iii h GLU 29 N -0.07 0.52 0.29 0.20 5.08 -1.07 -0.15 114.58 119.37 2iii h GLU 29 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2iii h GLU 29 Cb 0.07 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2iii h GLU 29 CO -0.01 0.35 -0.36 1.25 -1.00 0.00 0.00 179.01 179.23 2iii h LEU 30 N 0.54 -1.00 -0.94 1.33 5.85 -0.72 0.31 115.31 120.68 2iii h LEU 30 Ca 0.16 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 2iii h LEU 30 Cb -0.03 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2iii h LEU 30 CO -0.05 -0.49 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.14 2iii h LEU 31 N -0.70 0.35 -0.76 2.25 3.38 -0.66 -0.35 115.31 118.81 2iii h LEU 31 Ca -0.01 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 2iii h LEU 31 Cb 0.66 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2iii h LEU 31 CO -0.11 0.68 -0.00 -0.33 0.09 0.00 0.00 178.44 178.77 2iii h GLU 32 N 0.29 0.94 -0.25 1.13 5.08 -0.87 -1.31 114.58 119.58 2iii h GLU 32 Ca 0.03 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.01 2iii h GLU 32 Cb 0.76 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2iii h GLU 32 CO 0.06 0.93 -0.29 0.78 -1.00 0.00 0.00 179.01 179.48 2iii h GLY 33 N 0.99 0.55 0.58 -3.84 0.00 -0.40 -2.40 103.07 98.56 2iii h GLY 33 Ca 0.16 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2iii h GLY 33 CO 0.03 0.44 -0.01 0.00 0.00 0.00 0.00 176.54 177.00 2iii h ALA 34 N 1.24 0.01 -0.44 3.60 0.00 -0.70 -1.47 119.26 121.52 2iii h ALA 34 Ca 0.06 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.83 2iii h ALA 34 Cb 0.74 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 2iii h ALA 34 CO 0.06 -0.27 0.01 0.28 0.00 0.00 0.00 179.25 179.33 2iii h VAL 35 N -0.40 0.68 -0.21 0.00 2.07 -1.20 0.12 116.25 117.30 2iii h VAL 35 Ca 0.00 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2iii h VAL 35 Cb 0.44 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 2iii h VAL 35 CO 0.00 0.02 -0.08 0.11 0.02 0.00 0.00 177.57 177.64 2iii h LYS 36 N 0.12 0.43 -0.74 1.57 1.57 -1.45 0.40 116.57 118.48 2iii h LYS 36 Ca 0.22 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2iii h LYS 36 Cb 0.31 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.56 2iii h LYS 36 CO -0.35 0.70 0.49 -0.92 -0.57 0.00 0.00 179.45 178.80 2iii h TYR 37 N 0.14 0.90 -0.01 -1.35 3.20 -0.89 -1.29 116.97 117.67 2iii h TYR 37 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2iii h TYR 37 Cb 0.55 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.52 2iii h TYR 37 CO 0.06 0.54 -0.06 0.00 -1.64 0.00 0.00 178.16 177.06 2iii n ALA 38 N -2.43 2.70 -3.64 1.82 0.00 0.38 -4.93 120.51 114.43 2iii n ALA 38 Ca 0.09 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 52.91 2iii n ALA 38 Cb 0.08 -1.25 0.06 0.00 0.00 0.00 0.00 19.45 18.34 2iii n ALA 38 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2iii n ASN 39 N -0.34 -5.89 -4.90 0.00 4.05 -0.49 -4.77 115.26 102.92 2iii n ASN 39 Ca 0.18 -0.58 -0.30 0.00 0.45 0.00 0.00 54.58 54.33 2iii n ASN 39 Cb 0.30 -4.66 -0.04 0.00 1.23 0.00 0.00 39.78 36.61 2iii n ASN 39 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2iii s LEU 40 N -7.24 4.12 -0.19 1.20 1.43 0.02 -5.03 118.68 112.99 2iii s LEU 40 Ca 0.59 0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 54.35 2iii s LEU 40 Cb -0.27 -3.52 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 2iii s LEU 40 CO 0.72 -0.13 0.05 0.28 0.23 0.00 0.00 176.35 177.51 2iii s THR 41 N -1.95 4.59 0.08 5.49 -1.32 -1.26 -4.68 115.64 116.58 2iii s THR 41 Ca 0.44 -0.10 -0.11 0.00 -1.21 0.00 0.00 61.69 60.71 2iii s THR 41 Cb -0.11 -3.08 -0.06 0.00 -1.51 0.00 0.00 72.50 67.74 2iii s THR 41 CO 0.27 0.44 0.43 -0.75 -2.21 0.00 0.00 174.62 172.80 2iii s LYS 42 N 0.63 3.83 -0.19 7.08 2.20 -1.26 -1.40 119.74 130.63 2iii s LYS 42 Ca 0.03 0.27 -0.16 0.00 -0.36 0.00 0.00 55.97 55.75 2iii s LYS 42 Cb -0.13 -3.02 -0.11 0.00 -1.51 0.00 0.00 37.83 33.06 2iii s LYS 42 CO 0.02 0.56 -0.10 -0.89 -0.36 0.00 0.00 175.35 174.59 2iii n ILE 43 N 1.03 1.49 -3.85 5.43 5.41 0.07 -4.78 119.36 124.15 2iii n ILE 43 Ca -0.08 0.02 -0.07 0.00 1.00 0.00 0.00 62.75 63.61 2iii n ILE 43 Cb 0.52 -2.18 -0.01 0.00 -0.71 0.00 0.00 39.64 37.26 2iii n ILE 43 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2iii s SER 44 N -6.46 -0.20 -0.08 4.38 1.04 -1.21 -5.03 113.70 106.15 2iii s SER 44 Ca -0.26 -0.72 -0.08 0.00 0.48 0.00 0.00 55.95 55.37 2iii s SER 44 Cb 0.06 0.75 0.02 0.00 0.10 0.00 0.00 66.02 66.95 2iii s SER 44 CO 0.43 -1.41 0.22 -0.94 0.98 0.00 0.00 173.24 172.52 2iii s SER 45 N -2.95 -0.22 -0.03 7.02 1.04 -1.26 -1.70 113.70 115.60 2iii s SER 45 Ca 0.12 0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.98 2iii s SER 45 Cb -0.06 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.52 2iii s SER 45 CO 0.08 -0.10 -0.03 -1.00 0.98 0.00 0.00 173.24 173.17 2iii s HIS 46 N 0.03 0.49 0.18 5.02 3.76 -0.04 -5.00 115.29 119.72 2iii s HIS 46 Ca -0.01 -0.09 0.09 0.00 -0.15 0.00 0.00 55.06 54.90 2iii s HIS 46 Cb -0.02 -0.45 -0.04 0.00 1.11 0.00 0.00 32.58 33.18 2iii s HIS 46 CO 0.00 -0.11 -0.18 0.71 -0.85 0.00 0.00 174.74 174.32 2iii s TYR 47 N 0.63 1.83 -0.06 1.40 1.51 -1.26 -1.00 117.35 120.39 2iii s TYR 47 Ca -0.07 -0.48 -0.03 0.00 -1.01 0.00 0.00 57.07 55.48 2iii s TYR 47 Cb -0.10 -0.89 0.03 0.00 -0.11 0.00 0.00 41.96 40.88 2iii s TYR 47 CO -0.01 0.35 0.14 -0.47 -1.11 0.00 0.00 175.55 174.46 2iii s TYR 48 N -2.22 -0.16 -0.22 2.71 5.04 -0.33 -4.98 117.35 117.19 2iii s TYR 48 Ca 0.17 0.45 -0.14 0.00 -2.44 0.00 0.00 57.07 55.12 2iii s TYR 48 Cb -0.05 -0.04 -0.04 0.00 0.35 0.00 0.00 41.96 42.17 2iii s TYR 48 CO 0.07 -0.14 0.30 -1.14 -1.34 0.00 0.00 175.55 173.30 2iii s GLN 49 N 0.86 4.12 0.16 4.97 2.00 -1.26 -1.50 119.66 129.01 2iii s GLN 49 Ca -0.07 0.00 0.02 0.00 -2.00 0.00 0.00 55.36 53.32 2iii s GLN 49 Cb -0.08 -3.55 -0.04 0.00 0.80 0.00 0.00 33.01 30.14 2iii s GLN 49 CO -0.04 -0.02 0.30 -0.06 -0.50 0.00 0.00 175.29 174.97 2iii s PHE 50 N 1.27 3.48 -0.00 1.67 0.08 0.65 -5.00 117.98 120.13 2iii s PHE 50 Ca 0.14 0.12 -0.01 0.00 0.12 0.00 0.00 56.93 57.30 2iii s PHE 50 Cb -0.14 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2iii s PHE 50 CO 0.07 0.50 0.09 -0.65 -0.10 0.00 0.00 175.22 175.13 2iii s GLN 51 N -3.30 3.09 0.00 0.44 -1.52 -1.26 -1.74 119.66 115.37 2iii s GLN 51 Ca 0.35 -0.47 0.29 0.00 -1.95 0.00 0.00 55.36 53.57 2iii s GLN 51 Cb -0.11 -2.88 1.63 0.00 -0.22 0.00 0.00 33.01 31.43 2iii s GLN 51 CO 0.29 0.65 2.06 -0.35 -0.25 0.00 0.00 175.29 177.68 2iii n PRO 52 N 1.16 1.09 -3.82 2.91 -0.04 -1.26 -4.96 135.00 130.09 2iii n PRO 52 Ca -0.13 -0.13 0.04 0.00 -0.04 0.00 0.00 63.50 63.24 2iii n PRO 52 Cb 0.53 -1.45 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 2iii n PRO 52 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2iii s HIS 53 N -1.99 -0.00 0.00 0.54 -3.43 -0.71 -5.10 115.29 104.60 2iii s HIS 53 Ca 0.42 -0.05 0.00 0.00 -0.80 0.00 0.00 55.06 54.64 2iii s HIS 53 Cb 0.20 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.87 2iii s HIS 53 CO 0.33 -0.11 0.00 0.41 -2.00 0.00 0.00 174.74 173.37 2iii n GLY 54 N -0.75 1.41 3.37 -1.38 0.00 -0.01 -4.45 105.19 103.38 2iii n GLY 54 Ca -0.01 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 2iii n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iii s ALA 55 N -2.48 -0.87 0.05 4.61 0.00 -1.26 -0.25 121.76 121.56 2iii s ALA 55 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 51.96 51.88 2iii s ALA 55 Cb 0.00 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 2iii s ALA 55 CO 0.00 -0.68 -0.18 0.99 0.00 0.00 0.00 175.76 175.88 2iii s THR 56 N -3.83 2.77 -0.09 0.00 2.01 -0.56 -1.87 115.64 114.07 2iii s THR 56 Ca 0.05 -1.21 -0.05 0.00 0.31 0.00 0.00 61.69 60.80 2iii s THR 56 Cb 0.01 -2.17 0.04 0.00 0.01 0.00 0.00 72.50 70.39 2iii s THR 56 CO -0.09 0.33 0.22 -0.83 -0.69 0.00 0.00 174.62 173.55 2iii s GLY 57 N -1.47 -0.12 -0.01 4.40 0.00 -0.08 -1.19 107.32 108.85 2iii s GLY 57 Ca 0.15 0.87 0.01 0.00 0.00 0.00 0.00 44.72 45.75 2iii s GLY 57 CO 0.05 1.10 -0.04 0.54 0.00 0.00 0.00 173.10 174.75 2iii s VAL 58 N 1.09 0.36 -0.13 1.40 0.11 -0.17 -0.82 120.40 122.24 2iii s VAL 58 Ca -0.08 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 58.83 2iii s VAL 58 Cb -0.09 -0.33 0.02 0.00 -1.53 0.00 0.00 36.38 34.44 2iii s VAL 58 CO -0.07 0.12 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.00 2iii s VAL 59 N 0.17 1.46 -0.14 2.04 1.01 0.58 -0.86 120.40 124.66 2iii s VAL 59 Ca -0.01 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 2iii s VAL 59 Cb -0.05 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2iii s VAL 59 CO -0.00 0.44 0.74 -0.76 0.00 0.00 0.00 175.10 175.51 2iii s LEU 60 N 1.31 4.22 0.32 3.92 1.02 -0.69 -1.53 118.68 127.26 2iii s LEU 60 Ca 0.00 1.10 0.02 0.00 0.02 0.00 0.00 54.13 55.28 2iii s LEU 60 Cb -0.14 -3.10 -0.03 0.00 0.02 0.00 0.00 46.19 42.95 2iii s LEU 60 CO -0.07 -0.26 0.49 -0.76 0.02 0.00 0.00 176.35 175.78 2iii s LEU 61 N 1.57 4.09 -0.65 1.79 1.43 -1.26 -0.75 118.68 124.89 2iii s LEU 61 Ca 0.36 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 2iii s LEU 61 Cb -0.17 -3.14 0.39 0.00 0.03 0.00 0.00 46.19 43.30 2iii s LEU 61 CO 0.14 -0.25 1.67 0.00 0.23 0.00 0.00 176.35 178.14 2iii n ALA 62 N -1.68 5.93 -1.00 4.21 0.00 -0.49 -4.70 120.51 122.78 2iii n ALA 62 Ca -0.06 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.30 2iii n ALA 62 Cb 0.57 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2iii n ALA 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2iii n SER 64 N -0.58 0.00 -3.57 0.00 7.64 -1.22 -4.69 113.62 111.20 2iii n SER 64 Ca 0.50 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 60.28 2iii n SER 64 Cb 0.48 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.66 2iii n SER 64 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2iii s HIS 65 N 0.00 -0.37 -0.06 1.43 -3.43 -0.09 -4.45 115.29 108.32 2iii s HIS 65 Ca 0.00 0.12 0.03 0.00 -0.80 0.00 0.00 55.06 54.41 2iii s HIS 65 Cb 0.00 0.59 0.01 0.00 -1.43 0.00 0.00 32.58 31.75 2iii s HIS 65 CO 0.00 -0.85 -0.13 0.42 -2.00 0.00 0.00 174.74 172.18 2iii s ILE 66 N -3.57 1.17 0.05 -5.38 1.01 -0.58 -0.52 121.20 113.39 2iii s ILE 66 Ca 0.05 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2iii s ILE 66 Cb -0.02 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 2iii s ILE 66 CO -0.06 0.36 -0.05 -0.94 0.00 0.00 0.00 174.94 174.25 2iii s SER 67 N 0.48 0.64 -0.18 3.58 1.04 0.06 -0.30 113.70 119.00 2iii s SER 67 Ca -0.11 -0.83 -0.12 0.00 0.48 0.00 0.00 55.95 55.37 2iii s SER 67 Cb -0.14 0.13 0.06 0.00 0.10 0.00 0.00 66.02 66.17 2iii s SER 67 CO 0.03 -0.45 0.46 -0.51 0.98 0.00 0.00 173.24 173.75 2iii s ILE 68 N -2.95 -0.01 -0.03 -1.02 2.07 0.00 -0.83 121.20 118.44 2iii s ILE 68 Ca 0.01 0.05 0.05 0.00 -1.41 0.00 0.00 60.65 59.35 2iii s ILE 68 Cb 0.01 -0.66 -0.01 0.00 0.13 0.00 0.00 42.46 41.92 2iii s ILE 68 CO -0.05 0.02 -0.18 -1.00 -1.91 0.00 0.00 174.94 171.82 2iii s HIS 69 N 1.05 1.70 0.12 3.50 3.76 -0.71 -0.90 115.29 123.81 2iii s HIS 69 Ca -0.07 -0.39 0.05 0.00 -0.15 0.00 0.00 55.06 54.50 2iii s HIS 69 Cb -0.06 -1.11 -0.04 0.00 1.11 0.00 0.00 32.58 32.48 2iii s HIS 69 CO -0.09 -0.08 -0.11 0.95 -0.85 0.00 0.00 174.74 174.55 2iii s THR 70 N -0.26 1.11 -0.35 1.30 -4.23 -0.78 -0.81 115.64 111.62 2iii s THR 70 Ca 0.03 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 2iii s THR 70 Cb -0.09 -1.56 0.14 0.00 1.34 0.00 0.00 72.50 72.33 2iii s THR 70 CO 0.00 -0.58 0.22 0.26 -0.54 0.00 0.00 174.62 173.98 2iii s TRP 71 N -2.65 0.72 0.26 3.99 0.51 0.17 -4.04 118.94 117.91 2iii s TRP 71 Ca 0.10 -1.64 -0.01 0.00 -2.12 0.00 0.00 56.10 52.43 2iii s TRP 71 Cb -0.02 -0.90 0.55 0.00 -0.81 0.00 0.00 33.47 32.29 2iii s TRP 71 CO 0.01 -0.83 1.74 -1.35 -0.51 0.00 0.00 176.95 176.01 2iii h PRO 72 N 6.96 0.50 0.00 4.98 0.11 -1.80 -0.89 132.00 141.87 2iii h PRO 72 Ca 0.07 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2iii h PRO 72 Cb 0.97 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.96 2iii h PRO 72 CO 0.27 0.33 0.00 1.05 -0.21 0.00 0.00 178.00 179.44 2iii h GLU 73 N 0.52 0.00 -0.15 1.05 9.09 -1.95 -1.30 114.58 121.84 2iii h GLU 73 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.88 2iii h GLU 73 Cb 0.73 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.83 2iii h GLU 73 CO -0.41 0.00 0.00 0.72 0.05 0.00 0.00 179.01 179.37 2iii n HIS 74 N -3.04 0.19 -3.02 2.06 8.25 -0.39 -4.96 115.22 114.30 2iii n HIS 74 Ca -0.03 -0.21 -0.21 0.00 -0.26 0.00 0.00 57.72 57.01 2iii n HIS 74 Cb 0.09 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.20 2iii n HIS 74 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2iii n GLY 75 N 0.54 -0.50 3.31 -1.41 0.00 -0.49 -4.56 105.19 102.08 2iii n GLY 75 Ca 0.08 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 2iii n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2iii s LEU 76 N -6.41 2.11 -0.04 0.99 2.96 -0.99 -1.15 118.68 116.15 2iii s LEU 76 Ca 0.27 -0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 53.65 2iii s LEU 76 Cb -0.13 -1.27 0.03 0.00 0.50 0.00 0.00 46.19 45.32 2iii s LEU 76 CO 0.34 0.28 0.08 0.00 -1.32 0.00 0.00 176.35 175.72 2iii s ALA 77 N -0.70 -0.04 -0.25 5.97 0.00 -0.83 -0.65 121.76 125.26 2iii s ALA 77 Ca 0.10 0.44 -0.07 0.00 0.00 0.00 0.00 51.96 52.44 2iii s ALA 77 Cb -0.10 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2iii s ALA 77 CO 0.01 -0.16 0.05 0.95 0.00 0.00 0.00 175.76 176.61 2iii s THR 78 N 1.19 4.14 0.02 0.00 -4.23 0.01 -0.64 115.64 116.14 2iii s THR 78 Ca -0.08 -0.25 0.06 0.00 -1.18 0.00 0.00 61.69 60.24 2iii s THR 78 Cb -0.12 -2.94 -0.03 0.00 1.34 0.00 0.00 72.50 70.74 2iii s THR 78 CO -0.04 0.34 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.53 2iii s VAL 79 N 1.59 2.94 -0.06 2.29 1.01 0.01 -1.74 120.40 126.45 2iii s VAL 79 Ca 0.06 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2iii s VAL 79 Cb -0.15 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.02 2iii s VAL 79 CO 0.02 0.39 -0.06 -1.81 0.00 0.00 0.00 175.10 173.64 2iii s ASP 80 N -1.31 1.36 -0.27 3.32 -0.00 -0.01 -1.13 116.67 118.62 2iii s ASP 80 Ca 0.14 -0.19 0.01 0.00 -0.00 0.00 0.00 52.55 52.51 2iii s ASP 80 Cb -0.11 -0.59 0.08 0.00 -0.00 0.00 0.00 42.92 42.30 2iii s ASP 80 CO 0.05 -0.05 0.02 -0.69 -0.00 0.00 0.00 175.17 174.50 2iii s VAL 81 N 1.02 1.40 -0.26 -1.27 1.01 0.91 -0.76 120.40 122.46 2iii s VAL 81 Ca -0.09 -1.43 0.02 0.00 0.00 0.00 0.00 61.98 60.48 2iii s VAL 81 Cb -0.14 -1.87 0.06 0.00 0.00 0.00 0.00 36.38 34.43 2iii s VAL 81 CO -0.00 -0.37 -0.09 -0.47 0.00 0.00 0.00 175.10 174.16 2iii s TYR 82 N 1.40 3.08 0.27 5.22 6.04 0.33 -0.42 117.35 133.26 2iii s TYR 82 Ca 0.02 -2.21 0.10 0.00 0.04 0.00 0.00 57.07 55.02 2iii s TYR 82 Cb -0.18 -1.87 -0.05 0.00 -1.04 0.00 0.00 41.96 38.81 2iii s TYR 82 CO -0.12 -0.86 -0.17 0.95 -1.54 0.00 0.00 175.55 173.82 2iii s THR 83 N 1.16 2.21 -0.14 4.34 -4.23 -0.76 -0.91 115.64 117.32 2iii s THR 83 Ca -0.08 -2.32 0.01 0.00 -1.18 0.00 0.00 61.69 58.13 2iii s THR 83 Cb -0.20 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.36 2iii s THR 83 CO -0.05 -0.42 -0.18 0.00 -0.54 0.00 0.00 174.62 173.42 2iii n GLY 85 N 3.93 2.26 3.30 0.00 0.00 -1.05 -4.94 105.19 108.68 2iii n GLY 85 Ca -0.19 -0.55 -0.45 0.00 0.00 0.00 0.00 46.02 44.82 2iii n GLY 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iii s ASP 86 N 0.00 6.37 0.35 1.61 1.01 -1.26 -4.93 116.67 119.82 2iii s ASP 86 Ca 0.00 -2.32 0.02 0.00 0.71 0.00 0.00 52.55 50.96 2iii s ASP 86 Cb 0.00 -2.17 0.65 0.00 1.01 0.00 0.00 42.92 42.41 2iii s ASP 86 CO 0.00 -0.67 2.01 -0.65 0.21 0.00 0.00 175.17 176.07 2iii h PRO 87 N 8.18 0.82 0.00 8.23 0.11 -1.92 -2.24 132.00 145.18 2iii h PRO 87 Ca -0.07 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 2iii h PRO 87 Cb 1.06 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 2iii h PRO 87 CO 0.86 0.54 -0.02 0.66 -0.21 0.00 0.00 178.00 179.83 2iii h SER 88 N 0.85 0.00 -0.13 -2.05 4.64 -1.99 -1.47 113.55 113.39 2iii h SER 88 Ca 0.23 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.33 2iii h SER 88 Cb -0.09 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.01 2iii h SER 88 CO -0.05 0.02 -0.78 0.11 -0.87 0.00 0.00 176.83 175.26 2iii h LYS 89 N 0.00 0.78 -0.40 4.77 1.57 -1.70 -1.01 116.57 120.58 2iii h LYS 89 Ca -0.00 -0.64 -0.00 0.00 -1.87 0.00 0.00 60.65 58.14 2iii h LYS 89 Cb 0.05 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2iii h LYS 89 CO 0.00 1.25 0.24 0.00 -0.57 0.00 0.00 179.45 180.37 2iii h ALA 90 N 0.57 0.52 -0.54 3.86 0.00 -1.32 -0.41 119.26 121.93 2iii h ALA 90 Ca -0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2iii h ALA 90 Cb 1.41 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2iii h ALA 90 CO 0.16 0.02 0.21 1.88 0.00 0.00 0.00 179.25 181.51 2iii h TYR 91 N 0.53 0.82 -0.57 0.00 -1.99 -1.32 -2.86 116.97 111.58 2iii h TYR 91 Ca 0.14 -0.07 -0.02 0.00 2.00 0.00 0.00 58.73 60.79 2iii h TYR 91 Cb 0.01 -0.24 -0.03 0.00 2.00 0.00 0.00 36.73 38.47 2iii h TYR 91 CO -0.03 0.68 0.30 0.00 -0.00 0.00 0.00 178.16 179.10 2iii h ARG 92 N 0.73 0.81 -0.14 4.88 3.08 -0.92 0.66 114.38 123.47 2iii h ARG 92 Ca 0.18 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2iii h ARG 92 Cb 0.21 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.11 2iii h ARG 92 CO -0.01 0.64 0.00 0.00 -1.07 0.00 0.00 179.97 179.53 2iii n ALA 93 N -2.32 1.04 0.00 0.04 0.00 -0.19 -0.99 120.51 118.10 2iii n ALA 93 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2iii n ALA 93 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2iii n ALA 93 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2iii n ASP 95 N 0.53 0.00 0.31 0.00 8.00 0.22 -1.65 116.55 123.97 2iii n ASP 95 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 2iii n ASP 95 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.02 2iii n ASP 95 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2iii h TYR 96 N 0.00 -0.72 -0.53 1.24 3.20 -1.31 -1.29 116.97 117.55 2iii h TYR 96 Ca 0.00 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.95 2iii h TYR 96 Cb 0.00 0.24 -0.08 0.00 1.54 0.00 0.00 36.73 38.43 2iii h TYR 96 CO 0.00 -0.40 0.06 0.82 -1.64 0.00 0.00 178.16 177.00 2iii h ILE 97 N -0.94 0.64 -0.32 1.81 2.04 -1.57 -0.48 117.51 118.70 2iii h ILE 97 Ca -0.08 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2iii h ILE 97 Cb 0.65 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2iii h ILE 97 CO 0.13 0.03 0.17 0.40 0.00 0.00 0.00 178.15 178.88 2iii h ILE 98 N 0.19 1.14 -0.43 -0.67 2.04 -1.81 -1.30 117.51 116.66 2iii h ILE 98 Ca 0.27 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 2iii h ILE 98 Cb 0.40 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2iii h ILE 98 CO -0.40 0.14 0.04 0.71 0.00 0.00 0.00 178.15 178.64 2iii h THR 99 N 0.39 1.22 -0.42 -0.27 1.35 -0.67 0.58 112.91 115.08 2iii h THR 99 Ca 0.11 -0.84 -0.14 0.00 -0.55 0.00 0.00 66.41 64.99 2iii h THR 99 Cb 0.07 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 2iii h THR 99 CO -0.02 0.30 -0.30 1.56 -0.25 0.00 0.00 175.52 176.81 2iii h GLN 100 N 0.64 0.95 0.00 4.72 1.08 -0.87 -3.07 115.11 118.56 2iii h GLN 100 Ca 0.14 -0.45 -0.02 0.00 -1.45 0.00 0.00 58.65 56.87 2iii h GLN 100 Cb 0.34 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2iii h GLN 100 CO 0.01 1.12 -0.20 -0.07 -0.95 0.00 0.00 178.83 178.74 2iii h LEU 101 N 0.78 0.00 -3.83 1.46 3.38 -0.90 -3.48 115.31 112.72 2iii h LEU 101 Ca 0.08 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.51 2iii h LEU 101 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2iii h LEU 101 CO 0.08 0.07 -1.05 -3.20 0.09 0.00 0.00 178.44 174.43 2iii n ASN 102 N -3.06 -4.53 -4.81 -0.43 5.15 0.20 -4.56 115.26 103.22 2iii n ASN 102 Ca 0.03 -1.13 -0.32 0.00 -0.60 0.00 0.00 54.58 52.56 2iii n ASN 102 Cb 0.56 -1.71 0.03 0.00 -0.53 0.00 0.00 39.78 38.14 2iii n ASN 102 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2iii s PRO 103 N -6.17 3.06 -0.02 1.20 0.04 -1.26 -4.75 135.00 127.10 2iii s PRO 103 Ca 0.25 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.47 2iii s PRO 103 Cb -0.14 -2.00 -0.24 0.00 0.04 0.00 0.00 34.50 32.17 2iii s PRO 103 CO 0.93 -1.01 0.76 0.87 0.04 0.00 0.00 177.00 178.59 2iii h LYS 104 N -0.18 0.06 -4.44 4.56 1.57 -0.79 -3.47 116.57 113.87 2iii h LYS 104 Ca -0.45 -0.10 -0.29 0.00 -1.87 0.00 0.00 60.65 57.93 2iii h LYS 104 Cb 1.22 0.04 -0.24 0.00 0.08 0.00 0.00 32.23 33.32 2iii h LYS 104 CO 0.57 0.73 -0.74 1.03 -0.57 0.00 0.00 179.45 180.46 2iii s ARG 105 N -2.61 0.48 0.02 3.15 0.52 -1.07 -5.02 118.95 114.41 2iii s ARG 105 Ca -0.06 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 54.65 2iii s ARG 105 Cb 0.08 -0.33 -0.02 0.00 0.52 0.00 0.00 34.95 35.20 2iii s ARG 105 CO 0.82 0.07 -0.04 0.42 0.02 0.00 0.00 175.30 176.59 2iii s ILE 106 N -0.84 0.27 -0.15 1.52 1.01 -1.26 -0.85 121.20 120.89 2iii s ILE 106 Ca -0.05 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 59.87 2iii s ILE 106 Cb -0.07 -0.34 0.04 0.00 0.01 0.00 0.00 42.46 42.11 2iii s ILE 106 CO 0.00 -0.30 -0.04 -0.62 0.00 0.00 0.00 174.94 173.99 2iii s ASP 107 N -1.07 2.64 0.15 3.58 2.15 -0.93 -5.00 116.67 118.19 2iii s ASP 107 Ca -0.09 -0.58 0.07 0.00 0.43 0.00 0.00 52.55 52.38 2iii s ASP 107 Cb -0.07 -0.82 -0.04 0.00 -0.30 0.00 0.00 42.92 41.69 2iii s ASP 107 CO -0.00 -0.19 -0.16 -0.75 -0.17 0.00 0.00 175.17 173.90 2iii s LYS 108 N 1.70 1.17 -0.08 4.34 2.20 -1.26 -0.72 119.74 127.09 2iii s LYS 108 Ca 0.01 -1.37 -0.18 0.00 -0.36 0.00 0.00 55.97 54.07 2iii s LYS 108 Cb -0.15 -1.09 0.04 0.00 -1.51 0.00 0.00 37.83 35.12 2iii s LYS 108 CO -0.07 0.21 0.44 -0.65 -0.36 0.00 0.00 175.35 174.91 2iii s GLN 109 N -2.91 0.70 -0.03 4.03 -0.21 -0.60 -5.01 119.66 115.62 2iii s GLN 109 Ca 0.14 0.19 0.06 0.00 0.02 0.00 0.00 55.36 55.77 2iii s GLN 109 Cb -0.04 0.32 -0.01 0.00 1.00 0.00 0.00 33.01 34.28 2iii s GLN 109 CO 0.05 -0.17 -0.21 0.08 -2.12 0.00 0.00 175.29 172.91 2iii s VAL 110 N -0.74 1.72 -0.02 1.09 1.01 -1.26 -1.64 120.40 120.57 2iii s VAL 110 Ca -0.08 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.02 2iii s VAL 110 Cb -0.03 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.89 2iii s VAL 110 CO 0.04 0.49 -0.13 -1.00 0.00 0.00 0.00 175.10 174.50 2iii s HIS 111 N -0.35 1.18 -0.30 5.22 3.76 0.21 -4.99 115.29 120.01 2iii s HIS 111 Ca 0.04 -0.25 -0.17 0.00 -0.15 0.00 0.00 55.06 54.54 2iii s HIS 111 Cb -0.10 -0.77 -0.02 0.00 1.11 0.00 0.00 32.58 32.79 2iii s HIS 111 CO 0.01 -0.05 0.44 -1.21 -0.85 0.00 0.00 174.74 173.08 2iii s GLU 112 N -0.18 3.86 -0.27 1.40 2.02 -1.26 -0.77 118.70 123.50 2iii s GLU 112 Ca 0.03 -0.01 -0.13 0.00 0.02 0.00 0.00 54.97 54.88 2iii s GLU 112 Cb -0.06 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.41 2iii s GLU 112 CO -0.00 -0.43 0.27 1.03 0.02 0.00 0.00 175.26 176.15 2iii s ARG 113 N 2.21 3.99 0.00 1.61 1.81 0.00 -4.81 118.95 123.76 2iii s ARG 113 Ca 0.17 -0.16 0.00 0.00 -1.72 0.00 0.00 55.73 54.02 2iii s ARG 113 Cb -0.16 -3.65 0.00 0.00 -0.45 0.00 0.00 34.95 30.69 2iii s ARG 113 CO 0.11 -0.21 0.00 0.41 -0.68 0.00 0.00 175.30 174.93 2iii n GLY 114 N 4.86 -2.78 3.57 -3.53 0.00 -1.26 -2.47 105.19 103.58 2iii n GLY 114 Ca -0.12 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 2iii n GLY 114 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2iii s ILE 115 N 0.00 4.97 0.09 -0.61 1.01 -1.26 -1.05 121.20 124.35 2iii s ILE 115 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.77 2iii s ILE 115 Cb 0.00 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.11 2iii s ILE 115 CO 0.00 0.32 -0.19 0.68 0.00 0.00 0.00 174.94 175.75 2iii s VAL 116 N 1.39 1.57 0.60 2.92 -7.23 -0.72 -4.98 120.40 113.94 2iii s VAL 116 Ca 0.06 -1.47 -0.18 0.00 -1.81 0.00 0.00 61.98 58.58 2iii s VAL 116 Cb -0.15 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 2iii s VAL 116 CO 0.06 -0.09 1.18 -1.61 -0.31 0.00 0.00 175.10 174.33 2iii s GLU 117 N -1.83 2.98 -0.07 4.82 0.41 -1.26 -1.53 118.70 122.22 2iii s GLU 117 Ca 0.05 1.72 0.17 0.00 -0.41 0.00 0.00 54.97 56.49 2iii s GLU 117 Cb -0.10 -1.94 -0.25 0.00 -1.78 0.00 0.00 34.13 30.06 2iii s GLU 117 CO 0.04 -1.17 0.29 0.39 -0.49 0.00 0.00 175.26 174.31 2iii n GLU 118 N -1.71 0.77 -4.44 1.61 1.02 -1.26 -4.80 120.64 111.84 2iii n GLU 118 Ca 0.13 -0.11 -0.31 0.00 -0.02 0.00 0.00 57.16 56.85 2iii n GLU 118 Cb 0.50 -1.42 -0.11 0.00 -0.02 0.00 0.00 31.44 30.39 2iii n GLU 118 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2iii s GLU 119 N -2.97 2.21 0.37 3.49 8.01 -1.26 -5.04 118.70 123.51 2iii s GLU 119 Ca -0.07 -0.93 0.08 0.00 0.01 0.00 0.00 54.97 54.06 2iii s GLU 119 Cb 0.09 -2.31 -0.06 0.00 -4.31 0.00 0.00 34.13 27.54 2iii s GLU 119 CO 0.71 0.54 0.02 -1.54 0.01 0.00 0.00 175.26 175.01 2iii s SER 120 N -1.73 4.08 -0.33 -0.19 1.04 -1.26 -5.08 113.70 110.23 2iii s SER 120 Ca 0.18 -1.13 -0.18 0.00 0.48 0.00 0.00 55.95 55.30 2iii s SER 120 Cb -0.11 -0.46 -0.01 0.00 0.10 0.00 0.00 66.02 65.54 2iii s SER 120 CO 0.09 -0.33 0.52 0.21 0.98 0.00 0.00 173.24 174.70 2iii s ASN 121 N -3.73 6.34 0.00 7.02 2.47 -1.26 -5.24 114.94 120.54 2iii s ASN 121 Ca 0.36 0.10 0.01 0.00 0.42 0.00 0.00 52.86 53.74 2iii s ASN 121 Cb 0.03 -2.27 0.03 0.00 -1.45 0.00 0.00 41.25 37.59 2iii s ASN 121 CO 0.19 -0.44 0.53 0.00 -3.72 0.00 0.00 177.10 173.66