#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6b s ASN 35 N 0.00 -0.73 0.10 0.00 3.84 -1.21 -3.21 114.94 113.72 1b6b s ASN 35 Ca 0.00 -0.45 0.10 0.00 0.21 0.00 0.00 52.86 52.72 1b6b s ASN 35 Cb 0.00 0.94 -0.04 0.00 -0.55 0.00 0.00 41.25 41.60 1b6b s ASN 35 CO 0.00 -0.07 -0.23 -1.61 -2.79 0.00 0.00 177.10 172.39 1b6b s GLU 36 N 1.77 1.66 -0.32 0.43 2.02 0.65 -4.95 118.70 119.96 1b6b s GLU 36 Ca 0.17 -1.21 0.02 0.00 0.02 0.00 0.00 54.97 53.96 1b6b s GLU 36 Cb 0.02 -2.01 0.09 0.00 0.10 0.00 0.00 34.13 32.34 1b6b s GLU 36 CO -0.12 0.48 0.05 -0.06 0.02 0.00 0.00 175.26 175.63 1b6b s PHE 37 N -1.02 2.96 0.18 1.61 0.40 -1.26 -0.36 117.98 120.49 1b6b s PHE 37 Ca 0.15 -2.45 0.00 0.00 -0.60 0.00 0.00 56.93 54.02 1b6b s PHE 37 Cb -0.10 -2.37 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 1b6b s PHE 37 CO 0.06 -0.91 0.07 -0.98 0.70 0.00 0.00 175.22 174.16 1b6b s ARG 38 N 1.19 1.12 0.93 0.44 1.70 -0.99 -4.94 118.95 118.40 1b6b s ARG 38 Ca 0.08 -1.57 -0.11 0.00 -0.47 0.00 0.00 55.73 53.67 1b6b s ARG 38 Cb -0.18 0.03 0.15 0.00 -0.57 0.00 0.00 34.95 34.38 1b6b s ARG 38 CO -0.13 -0.27 1.10 0.00 -1.08 0.00 0.00 175.30 174.92 1b6b s LEU 40 N -6.48 3.81 0.16 0.00 1.43 -1.26 -4.65 118.68 111.69 1b6b s LEU 40 Ca 0.65 0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.97 1b6b s LEU 40 Cb -0.21 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 42.91 1b6b s LEU 40 CO 0.59 -0.55 -0.09 0.42 0.23 0.00 0.00 176.35 176.94 1b6b s THR 41 N -2.40 1.18 0.41 5.49 -4.23 -1.26 -4.76 115.64 110.07 1b6b s THR 41 Ca 0.46 -2.07 0.16 0.00 -1.18 0.00 0.00 61.69 59.06 1b6b s THR 41 Cb -0.10 -1.94 0.37 0.00 1.34 0.00 0.00 72.50 72.17 1b6b s THR 41 CO 0.35 -0.67 1.87 -0.65 -0.54 0.00 0.00 174.62 174.98 1b6b h PRO 42 N 2.72 0.44 0.15 3.99 0.11 -1.95 -0.02 132.00 137.44 1b6b h PRO 42 Ca -0.37 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.72 1b6b h PRO 42 Cb 1.20 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1b6b h PRO 42 CO 0.64 0.29 -0.18 0.93 -0.21 0.00 0.00 178.00 179.46 1b6b h GLU 43 N 0.45 -0.37 -0.37 1.05 3.07 -1.95 0.52 114.58 116.99 1b6b h GLU 43 Ca 0.45 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.41 1b6b h GLU 43 Cb 1.04 0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 28.96 1b6b h GLU 43 CO -0.17 -0.24 -0.10 -0.44 -1.40 0.00 0.00 179.01 176.65 1b6b h ASP 44 N -0.38 -0.38 -0.25 1.42 3.32 -1.42 0.50 116.42 119.24 1b6b h ASP 44 Ca 0.01 0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.22 1b6b h ASP 44 Cb 0.37 0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.12 1b6b h ASP 44 CO -0.07 -0.14 -0.05 0.00 -1.72 0.00 0.00 179.24 177.27 1b6b h ALA 45 N 1.34 0.18 -1.00 3.45 0.00 -0.98 -1.02 119.26 121.23 1b6b h ALA 45 Ca 0.18 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.27 1b6b h ALA 45 Cb 0.29 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.18 1b6b h ALA 45 CO -0.39 -0.46 0.64 0.00 0.00 0.00 0.00 179.25 179.04 1b6b h ALA 46 N 1.24 1.47 0.00 0.00 0.00 0.18 0.32 119.26 122.47 1b6b h ALA 46 Ca 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1b6b h ALA 46 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1b6b h ALA 46 CO -0.25 0.33 -0.20 0.78 0.00 0.00 0.00 179.25 179.92 1b6b h GLY 47 N 1.08 0.00 1.10 0.00 0.00 0.34 -2.28 103.07 103.30 1b6b h GLY 47 Ca 0.46 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.56 1b6b h GLY 47 CO -0.22 0.00 -0.92 -2.08 0.00 0.00 0.00 176.54 173.32 1b6b h VAL 48 N 0.00 1.32 0.00 4.60 2.07 -0.15 -3.32 116.25 120.76 1b6b h VAL 48 Ca -0.00 -2.20 -0.10 0.00 0.82 0.00 0.00 66.70 65.23 1b6b h VAL 48 Cb 0.41 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1b6b h VAL 48 CO 0.03 0.67 -0.46 -0.26 0.02 0.00 0.00 177.57 177.57 1b6b h PHE 49 N 0.27 0.00 -0.03 1.57 0.04 -0.98 -3.25 116.94 114.56 1b6b h PHE 49 Ca -0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1b6b h PHE 49 Cb 1.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.74 1b6b h PHE 49 CO 0.11 0.46 0.00 -0.85 -0.60 0.00 0.00 178.31 177.43 1b6b n GLU 50 N -3.83 1.09 -1.67 1.51 0.28 -0.89 -4.86 120.64 112.27 1b6b n GLU 50 Ca -0.01 -0.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 1b6b n GLU 50 Cb 0.50 -1.17 0.00 0.00 1.43 0.00 0.00 31.44 32.20 1b6b n GLU 50 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 177.13 178.48 1b6b n ILE 51 N -0.29 0.00 0.00 3.84 0.13 -1.23 -5.10 119.36 116.71 1b6b n ILE 51 Ca 0.01 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.66 1b6b n ILE 51 Cb 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.90 1b6b n ILE 51 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1b6b n GLU 52 N 0.00 0.00 -3.83 9.51 1.02 -1.26 -5.05 120.64 121.03 1b6b n GLU 52 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 1b6b n GLU 52 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 31.44 31.28 1b6b n GLU 52 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1b6b s ARG 53 N 0.00 0.08 0.02 3.49 1.04 -1.26 -5.02 118.95 117.29 1b6b s ARG 53 Ca 0.00 0.13 0.07 0.00 -1.04 0.00 0.00 55.73 54.89 1b6b s ARG 53 Cb 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 34.95 32.89 1b6b s ARG 53 CO 0.00 -0.03 -0.22 -1.21 -0.04 0.00 0.00 175.30 173.80 1b6b s GLU 54 N 0.20 1.62 0.52 3.89 8.01 -1.26 -4.94 118.70 126.74 1b6b s GLU 54 Ca -0.01 -0.89 -0.20 0.00 0.01 0.00 0.00 54.97 53.87 1b6b s GLU 54 Cb -0.02 -1.67 -0.09 0.00 -4.31 0.00 0.00 34.13 28.04 1b6b s GLU 54 CO -0.01 0.44 0.71 0.00 0.01 0.00 0.00 175.26 176.41 1b6b n ALA 55 N 2.16 -0.69 -2.17 5.21 0.00 -1.24 -4.69 120.51 119.08 1b6b n ALA 55 Ca -0.16 0.07 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 1b6b n ALA 55 Cb 0.53 -1.92 0.02 0.00 0.00 0.00 0.00 19.45 18.08 1b6b n ALA 55 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1b6b s PHE 56 N -1.55 3.23 -0.36 0.00 2.99 -1.26 -2.87 117.98 118.16 1b6b s PHE 56 Ca 0.68 0.47 -0.28 0.00 0.00 0.00 0.00 56.93 57.80 1b6b s PHE 56 Cb -0.49 -2.57 -0.02 0.00 0.00 0.00 0.00 43.02 39.94 1b6b s PHE 56 CO 0.54 -0.65 1.78 -1.50 -0.00 0.00 0.00 175.22 175.40 1b6b s ILE 57 N -2.82 3.49 -0.91 0.64 1.10 -1.19 -4.13 121.20 117.38 1b6b s ILE 57 Ca 0.52 0.48 -0.10 0.00 -0.51 0.00 0.00 60.65 61.04 1b6b s ILE 57 Cb -0.10 -3.70 0.10 0.00 0.15 0.00 0.00 42.46 38.90 1b6b s ILE 57 CO 0.42 -0.48 0.25 -1.54 -2.11 0.00 0.00 174.94 171.48 1b6b n SER 58 N 10.46 -0.66 -3.72 4.50 3.41 -1.26 -4.87 113.62 121.48 1b6b n SER 58 Ca 0.22 -0.63 -0.12 0.00 -0.26 0.00 0.00 58.87 58.09 1b6b n SER 58 Cb 0.47 -0.80 -0.10 0.00 -0.26 0.00 0.00 64.21 63.52 1b6b n SER 58 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1b6b s VAL 59 N -2.41 -0.01 0.47 -3.33 0.11 -1.26 -5.02 120.40 108.95 1b6b s VAL 59 Ca 0.34 0.04 0.06 0.00 -2.93 0.00 0.00 61.98 59.49 1b6b s VAL 59 Cb -0.20 -0.59 0.02 0.00 -1.53 0.00 0.00 36.38 34.08 1b6b s VAL 59 CO 0.51 0.01 0.65 -0.94 -3.33 0.00 0.00 175.10 172.01 1b6b s SER 60 N 0.67 5.50 0.00 3.54 1.04 -1.26 -4.54 113.70 118.65 1b6b s SER 60 Ca -0.04 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1b6b s SER 60 Cb -0.05 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.38 1b6b s SER 60 CO -0.05 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1b6b n GLY 61 N -2.04 2.26 2.73 7.32 0.00 -1.26 -4.64 105.19 109.57 1b6b n GLY 61 Ca 0.08 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1b6b n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b6b n ASN 62 N 4.16 4.31 -4.76 1.61 3.02 -1.26 -4.93 115.26 117.41 1b6b n ASN 62 Ca 0.00 -2.76 -0.31 0.00 -0.03 0.00 0.00 54.58 51.48 1b6b n ASN 62 Cb 0.00 -1.53 0.09 0.00 -0.61 0.00 0.00 39.78 37.74 1b6b n ASN 62 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1b6b n PRO 64 N -3.55 1.86 -4.00 0.00 -0.04 -1.26 -4.97 135.00 123.03 1b6b n PRO 64 Ca 0.09 0.68 -0.31 0.00 -0.04 0.00 0.00 63.50 63.92 1b6b n PRO 64 Cb 0.53 -2.47 -0.15 0.00 -0.04 0.00 0.00 33.50 31.37 1b6b n PRO 64 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1b6b s LEU 65 N 3.51 4.69 0.00 1.53 2.96 -1.26 -4.88 118.68 125.23 1b6b s LEU 65 Ca 0.93 -2.33 0.19 0.00 -0.22 0.00 0.00 54.13 52.70 1b6b s LEU 65 Cb -0.80 -1.64 0.05 0.00 0.50 0.00 0.00 46.19 44.30 1b6b s LEU 65 CO 0.54 -0.35 1.00 0.59 -1.32 0.00 0.00 176.35 176.80 1b6b n ASN 66 N 4.03 2.06 -4.01 3.68 4.13 -1.26 -4.84 115.26 119.05 1b6b n ASN 66 Ca 0.04 -1.53 -0.04 0.00 1.68 0.00 0.00 54.58 54.73 1b6b n ASN 66 Cb 0.40 0.31 -0.02 0.00 -1.54 0.00 0.00 39.78 38.93 1b6b n ASN 66 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1b6b n LEU 67 N 0.32 -1.13 0.00 3.41 4.77 -1.26 -3.69 117.00 119.41 1b6b n LEU 67 Ca 0.09 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 1b6b n LEU 67 Cb 0.42 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1b6b n LEU 67 CO 0.19 -1.55 0.00 -0.67 -1.33 0.00 0.00 177.39 174.03 1b6b n ASP 68 N 5.63 0.00 0.31 -1.43 2.03 -1.26 -4.56 116.55 117.27 1b6b n ASP 68 Ca 0.06 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.55 1b6b n ASP 68 Cb 0.39 -0.35 0.96 0.00 -0.72 0.00 0.00 41.12 41.40 1b6b n ASP 68 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1b6b h GLU 69 N 0.00 0.00 0.00 -0.67 4.39 -1.91 -2.68 114.58 113.71 1b6b h GLU 69 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1b6b h GLU 69 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1b6b h GLU 69 CO 0.00 0.00 -1.17 1.33 -1.16 0.00 0.00 179.01 178.01 1b6b n VAL 70 N -2.87 0.17 -0.35 3.13 0.24 -1.25 -4.78 118.33 112.62 1b6b n VAL 70 Ca -0.02 -0.10 0.16 0.00 -2.04 0.00 0.00 64.34 62.33 1b6b n VAL 70 Cb 0.20 -0.92 0.36 0.00 -1.47 0.00 0.00 33.84 32.02 1b6b n VAL 70 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1b6b h GLN 71 N 0.00 0.63 0.00 7.34 4.15 -1.64 0.89 115.11 126.48 1b6b h GLN 71 Ca -0.07 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.31 1b6b h GLN 71 Cb 1.15 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.70 1b6b h GLN 71 CO 0.00 0.42 -0.02 1.12 -1.93 0.00 0.00 178.83 178.42 1b6b h HIS 72 N 0.65 0.00 -0.05 3.99 2.07 -1.86 -2.45 115.15 117.49 1b6b h HIS 72 Ca 0.62 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 58.10 1b6b h HIS 72 Cb 1.11 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.08 1b6b h HIS 72 CO -0.01 0.02 -0.16 0.74 -3.07 0.00 0.00 177.93 175.46 1b6b h PHE 73 N 0.00 0.08 0.00 6.12 0.04 -1.14 -0.52 116.94 121.52 1b6b h PHE 73 Ca -0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1b6b h PHE 73 Cb 0.18 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1b6b h PHE 73 CO 0.00 0.24 0.00 1.28 -0.60 0.00 0.00 178.31 179.23 1b6b n LEU 74 N -4.31 0.00 -0.04 1.54 4.77 -0.92 -0.12 117.00 117.92 1b6b n LEU 74 Ca -0.02 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.88 1b6b n LEU 74 Cb 0.25 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1b6b n LEU 74 CO 0.37 0.00 -0.77 0.41 -1.33 0.00 0.00 177.39 176.07 1b6b n THR 75 N -0.89 0.43 0.12 -5.08 -1.04 -0.47 -4.00 114.28 103.36 1b6b n THR 75 Ca 0.14 -0.12 -0.02 0.00 -2.04 0.00 0.00 64.05 62.01 1b6b n THR 75 Cb 0.06 -1.49 0.09 0.00 -1.82 0.00 0.00 70.33 67.17 1b6b n THR 75 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1b6b h LEU 76 N -0.24 0.00 -5.00 -4.42 3.38 -1.03 -3.42 115.31 104.58 1b6b h LEU 76 Ca -0.20 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 1b6b h LEU 76 Cb 1.19 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 1b6b h LEU 76 CO -0.11 0.69 -0.39 0.00 0.09 0.00 0.00 178.44 178.73 1b6b h PRO 78 N 3.99 0.00 0.00 0.00 0.11 -1.75 -2.18 132.00 132.17 1b6b h PRO 78 Ca -0.13 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 1b6b h PRO 78 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1b6b h PRO 78 CO 0.16 0.02 -0.00 0.93 -0.21 0.00 0.00 178.00 178.89 1b6b h GLU 79 N 0.00 0.00 -0.75 1.05 3.07 -1.89 -1.87 114.58 114.19 1b6b h GLU 79 Ca -0.00 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.69 1b6b h GLU 79 Cb 0.19 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.00 1b6b h GLU 79 CO 0.00 0.00 0.21 1.28 -1.40 0.00 0.00 179.01 179.11 1b6b n LEU 80 N -3.26 5.74 -4.36 1.33 4.32 -0.82 -4.90 117.00 115.04 1b6b n LEU 80 Ca -0.03 -2.97 -0.22 0.00 -0.02 0.00 0.00 56.01 52.77 1b6b n LEU 80 Cb 0.09 -0.72 -0.11 0.00 -1.62 0.00 0.00 43.42 41.06 1b6b n LEU 80 CO 0.22 0.74 -0.48 -0.94 -1.22 0.00 0.00 177.39 175.71 1b6b s SER 81 N -0.85 2.87 -0.23 -1.43 1.04 -0.70 -0.41 113.70 113.99 1b6b s SER 81 Ca 0.51 -0.92 -0.07 0.00 0.48 0.00 0.00 55.95 55.94 1b6b s SER 81 Cb 0.40 -0.18 0.11 0.00 0.10 0.00 0.00 66.02 66.45 1b6b s SER 81 CO 0.13 -0.04 0.49 -0.22 0.98 0.00 0.00 173.24 174.59 1b6b s LEU 82 N -2.92 -0.82 0.17 2.42 1.98 -0.45 -4.12 118.68 114.94 1b6b s LEU 82 Ca 0.20 1.13 0.06 0.00 -2.89 0.00 0.00 54.13 52.63 1b6b s LEU 82 Cb -0.05 1.65 -0.04 0.00 0.66 0.00 0.00 46.19 48.42 1b6b s LEU 82 CO 0.08 -0.23 0.04 -0.83 -1.89 0.00 0.00 176.35 173.52 1b6b s GLY 83 N 2.70 1.74 -0.26 7.98 0.00 0.67 -1.62 107.32 118.52 1b6b s GLY 83 Ca -0.02 -1.30 -0.05 0.00 0.00 0.00 0.00 44.72 43.35 1b6b s GLY 83 CO -0.15 -1.31 0.03 0.86 0.00 0.00 0.00 173.10 172.52 1b6b s TRP 84 N -1.71 3.08 -0.12 1.90 -0.11 0.52 -2.34 118.94 120.16 1b6b s TRP 84 Ca 0.28 -0.99 0.01 0.00 1.22 0.00 0.00 56.10 56.63 1b6b s TRP 84 Cb -0.10 -2.18 -0.01 0.00 -1.50 0.00 0.00 33.47 29.68 1b6b s TRP 84 CO 0.20 -0.56 -0.17 -0.06 -4.62 0.00 0.00 176.95 171.74 1b6b s PHE 85 N 1.48 2.72 -0.25 5.86 0.40 0.51 0.01 117.98 128.71 1b6b s PHE 85 Ca 0.03 -0.78 -0.03 0.00 -0.60 0.00 0.00 56.93 55.55 1b6b s PHE 85 Cb -0.16 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.59 1b6b s PHE 85 CO 0.00 -0.28 -0.03 0.08 0.70 0.00 0.00 175.22 175.69 1b6b s VAL 86 N 0.33 3.23 -1.34 -0.44 1.01 0.14 -0.25 120.40 123.08 1b6b s VAL 86 Ca -0.14 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 1b6b s VAL 86 Cb -0.17 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 33.68 1b6b s VAL 86 CO 0.07 0.23 0.53 -0.62 0.00 0.00 0.00 175.10 175.31 1b6b n GLU 87 N 4.75 -3.66 0.00 2.72 1.02 -1.20 0.10 120.64 124.36 1b6b n GLU 87 Ca -0.16 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1b6b n GLU 87 Cb 0.48 -5.27 0.00 0.00 -0.02 0.00 0.00 31.44 26.64 1b6b n GLU 87 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b6b n GLY 88 N -1.24 2.99 3.68 0.62 0.00 -1.26 -4.89 105.19 105.09 1b6b n GLY 88 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1b6b n GLY 88 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1b6b s ARG 89 N -0.23 4.28 -0.33 1.61 3.52 0.11 -4.89 118.95 123.03 1b6b s ARG 89 Ca 0.00 1.82 -0.29 0.00 -0.13 0.00 0.00 55.73 57.13 1b6b s ARG 89 Cb 0.00 -3.66 -0.01 0.00 -1.56 0.00 0.00 34.95 29.72 1b6b s ARG 89 CO 0.00 -0.60 1.64 -1.17 -0.81 0.00 0.00 175.30 174.36 1b6b s LEU 90 N 2.79 3.62 -0.03 -0.88 2.96 -1.26 -0.68 118.68 125.20 1b6b s LEU 90 Ca 0.60 1.24 0.22 0.00 -0.22 0.00 0.00 54.13 55.96 1b6b s LEU 90 Cb -0.27 -3.53 -0.33 0.00 0.50 0.00 0.00 46.19 42.56 1b6b s LEU 90 CO 0.22 -1.51 0.51 0.52 -1.32 0.00 0.00 176.35 174.77 1b6b n VAL 91 N 7.08 0.00 -3.54 1.68 0.31 0.10 -4.80 118.33 119.15 1b6b n VAL 91 Ca 0.20 -0.45 -0.08 0.00 -0.01 0.00 0.00 64.34 64.00 1b6b n VAL 91 Cb 0.47 0.10 -0.03 0.00 -0.91 0.00 0.00 33.84 33.46 1b6b n VAL 91 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b6b s ALA 92 N -3.46 -1.91 0.08 3.52 0.00 -1.22 0.61 121.76 119.38 1b6b s ALA 92 Ca -0.06 1.31 -0.27 0.00 0.00 0.00 0.00 51.96 52.94 1b6b s ALA 92 Cb 0.14 -0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.29 1b6b s ALA 92 CO 0.90 -0.55 0.87 -0.59 0.00 0.00 0.00 175.76 176.40 1b6b s PHE 93 N -2.34 -0.29 -0.02 0.00 -0.71 -0.49 -0.36 117.98 113.78 1b6b s PHE 93 Ca 0.04 0.08 0.02 0.00 -1.04 0.00 0.00 56.93 56.02 1b6b s PHE 93 Cb -0.01 0.58 0.00 0.00 -1.21 0.00 0.00 43.02 42.39 1b6b s PHE 93 CO -0.05 -0.70 -0.06 0.42 -1.34 0.00 0.00 175.22 173.50 1b6b s ILE 94 N -3.27 0.52 -0.14 -4.49 1.01 -0.64 -1.48 121.20 112.70 1b6b s ILE 94 Ca 0.07 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.52 1b6b s ILE 94 Cb -0.01 -0.47 0.01 0.00 0.01 0.00 0.00 42.46 42.00 1b6b s ILE 94 CO -0.05 0.17 -0.19 -0.63 0.00 0.00 0.00 174.94 174.24 1b6b s ILE 95 N 0.20 1.83 0.08 2.92 1.01 -0.83 -1.34 121.20 125.06 1b6b s ILE 95 Ca -0.02 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1b6b s ILE 95 Cb -0.07 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 1b6b s ILE 95 CO -0.00 0.50 0.05 0.61 0.00 0.00 0.00 174.94 176.10 1b6b n GLY 96 N 4.28 3.84 3.80 6.18 0.00 0.45 -1.06 105.19 122.69 1b6b n GLY 96 Ca -0.19 -1.81 -0.08 0.00 0.00 0.00 0.00 46.02 43.93 1b6b n GLY 96 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b6b s SER 97 N -1.53 -0.07 -0.06 1.61 1.04 -0.57 -4.66 113.70 109.45 1b6b s SER 97 Ca 0.07 -0.93 -0.11 0.00 0.48 0.00 0.00 55.95 55.46 1b6b s SER 97 Cb 0.00 0.78 -0.05 0.00 0.10 0.00 0.00 66.02 66.86 1b6b s SER 97 CO 0.05 -1.51 0.27 -0.76 0.98 0.00 0.00 173.24 172.27 1b6b s LEU 98 N -3.01 4.43 0.01 2.42 1.43 -1.26 0.24 118.68 122.94 1b6b s LEU 98 Ca 0.15 0.71 0.08 0.00 -1.03 0.00 0.00 54.13 54.04 1b6b s LEU 98 Cb -0.05 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 1b6b s LEU 98 CO 0.10 0.37 -0.26 0.86 0.23 0.00 0.00 176.35 177.65 1b6b s TRP 99 N -1.05 2.30 -0.24 0.29 -0.00 -0.26 -1.06 118.94 118.91 1b6b s TRP 99 Ca 0.19 -0.42 0.11 0.00 -0.00 0.00 0.00 56.10 55.97 1b6b s TRP 99 Cb -0.14 -1.43 0.46 0.00 -0.00 0.00 0.00 33.47 32.36 1b6b s TRP 99 CO 0.09 0.03 1.34 -0.40 -0.00 0.00 0.00 176.95 178.01 1b6b n ASP 100 N 2.14 2.20 -4.18 5.86 5.75 -1.26 -2.23 116.55 124.84 1b6b n ASP 100 Ca -0.16 -3.76 -0.11 0.00 -0.01 0.00 0.00 54.79 50.74 1b6b n ASP 100 Cb 0.52 -0.58 -0.10 0.00 -1.03 0.00 0.00 41.12 39.93 1b6b n ASP 100 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1b6b s GLU 101 N -3.21 0.86 0.23 0.11 2.02 -1.26 -4.90 118.70 112.55 1b6b s GLU 101 Ca 0.41 -1.36 -0.07 0.00 0.02 0.00 0.00 54.97 53.98 1b6b s GLU 101 Cb 0.38 -0.20 0.21 0.00 0.10 0.00 0.00 34.13 34.61 1b6b s GLU 101 CO -0.03 -0.03 1.82 1.49 0.02 0.00 0.00 175.26 178.54 1b6b h GLU 102 N 2.94 1.21 -6.34 1.61 4.57 -2.05 -3.44 114.58 113.07 1b6b h GLU 102 Ca -0.35 -0.18 -0.62 0.00 -1.18 0.00 0.00 59.36 57.03 1b6b h GLU 102 Cb 1.17 -0.22 -0.15 0.00 -0.16 0.00 0.00 28.75 29.39 1b6b h GLU 102 CO 0.64 0.93 -0.77 1.03 -1.18 0.00 0.00 179.01 179.67 1b6b s ARG 103 N -5.68 1.71 0.46 1.92 1.81 -1.26 -5.13 118.95 112.79 1b6b s ARG 103 Ca -0.12 -1.63 -0.11 0.00 -1.72 0.00 0.00 55.73 52.14 1b6b s ARG 103 Cb 0.16 -1.85 -0.06 0.00 -0.45 0.00 0.00 34.95 32.75 1b6b s ARG 103 CO 0.83 0.36 0.85 -0.51 -0.68 0.00 0.00 175.30 176.15 1b6b s LEU 104 N -3.23 3.70 0.20 2.53 1.43 -1.26 -5.03 118.68 117.01 1b6b s LEU 104 Ca 0.27 1.25 0.02 0.00 -1.03 0.00 0.00 54.13 54.64 1b6b s LEU 104 Cb -0.06 -4.17 -0.05 0.00 0.03 0.00 0.00 46.19 41.94 1b6b s LEU 104 CO 0.14 -0.51 0.03 0.42 0.23 0.00 0.00 176.35 176.66 1b6b s THR 105 N -2.56 0.66 0.25 5.49 -4.23 -1.26 -4.86 115.64 109.13 1b6b s THR 105 Ca 0.53 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 1b6b s THR 105 Cb -0.10 -2.29 0.22 0.00 1.34 0.00 0.00 72.50 71.67 1b6b s THR 105 CO 0.35 -0.33 1.81 1.56 -0.54 0.00 0.00 174.62 177.48 1b6b h GLN 106 N 2.59 0.79 -0.06 3.99 1.08 -1.99 -2.15 115.11 119.37 1b6b h GLN 106 Ca -0.37 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 56.70 1b6b h GLN 106 Cb 1.22 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.46 1b6b h GLN 106 CO 0.62 0.52 -0.36 0.93 -0.95 0.00 0.00 178.83 179.60 1b6b h GLU 107 N 0.82 0.11 -0.73 1.46 5.08 -2.01 -3.14 114.58 116.17 1b6b h GLU 107 Ca 0.40 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.80 1b6b h GLU 107 Cb 0.35 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1b6b h GLU 107 CO -0.24 0.46 0.48 0.66 -1.00 0.00 0.00 179.01 179.37 1b6b h SER 108 N 0.10 0.60 -0.02 1.42 4.64 -1.75 -2.39 113.55 116.14 1b6b h SER 108 Ca 0.01 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.35 1b6b h SER 108 Cb 0.68 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1b6b h SER 108 CO 0.05 0.37 0.42 0.25 -0.87 0.00 0.00 176.83 177.05 1b6b h LEU 109 N 0.67 0.00 -1.95 5.97 6.46 -1.61 -1.47 115.31 123.38 1b6b h LEU 109 Ca 0.33 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.09 1b6b h LEU 109 Cb 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1b6b h LEU 109 CO -0.12 0.00 -0.16 0.00 -0.62 0.00 0.00 178.44 177.55 1b6b n ALA 110 N -1.86 1.67 -2.61 1.25 0.00 -0.92 -4.96 120.51 113.09 1b6b n ALA 110 Ca -0.01 -1.06 -0.23 0.00 0.00 0.00 0.00 53.44 52.14 1b6b n ALA 110 Cb 0.46 -0.21 -0.06 0.00 0.00 0.00 0.00 19.45 19.63 1b6b n ALA 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b6b s LEU 111 N -0.60 3.29 -0.18 0.00 1.02 -0.56 -5.06 118.68 116.60 1b6b s LEU 111 Ca 0.05 -0.66 -0.05 0.00 0.02 0.00 0.00 54.13 53.49 1b6b s LEU 111 Cb 0.04 -1.79 0.06 0.00 0.02 0.00 0.00 46.19 44.52 1b6b s LEU 111 CO 0.00 -0.14 0.08 -2.28 0.02 0.00 0.00 176.35 174.04 1b6b s HIS 112 N -2.35 0.33 -0.51 0.29 5.65 -1.26 -4.60 115.29 112.83 1b6b s HIS 112 Ca 0.34 -0.43 -0.15 0.00 0.25 0.00 0.00 55.06 55.07 1b6b s HIS 112 Cb -0.05 -0.76 0.11 0.00 -1.18 0.00 0.00 32.58 30.70 1b6b s HIS 112 CO 0.22 -0.55 0.44 1.03 -0.65 0.00 0.00 174.74 175.23 1b6b s ARG 113 N 2.09 2.93 0.27 2.88 1.81 -0.22 -4.94 118.95 123.77 1b6b s ARG 113 Ca 0.02 -1.58 -0.08 0.00 -1.72 0.00 0.00 55.73 52.37 1b6b s ARG 113 Cb -0.16 -4.19 0.45 0.00 -0.45 0.00 0.00 34.95 30.60 1b6b s ARG 113 CO -0.11 -1.20 1.57 -1.35 -0.68 0.00 0.00 175.30 173.54 1b6b h PRO 114 N 8.79 0.00 -1.71 3.54 0.11 -1.98 -1.78 132.00 138.97 1b6b h PRO 114 Ca -0.28 -0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.27 1b6b h PRO 114 Cb 1.10 -0.00 -0.21 0.00 0.11 0.00 0.00 31.00 32.00 1b6b h PRO 114 CO 0.96 0.00 0.64 0.54 -0.21 0.00 0.00 178.00 179.93 1b6b n ARG 115 N -5.57 2.40 -4.01 1.05 3.00 -1.26 -4.96 116.66 107.31 1b6b n ARG 115 Ca 0.15 -2.61 -0.27 0.00 -0.01 0.00 0.00 57.85 55.12 1b6b n ARG 115 Cb 0.50 -2.08 -0.04 0.00 0.00 0.00 0.00 32.46 30.84 1b6b n ARG 115 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1b6b s GLY 116 N -0.42 1.74 -0.03 -0.13 0.00 -0.67 -4.91 107.32 102.91 1b6b s GLY 116 Ca 0.52 -1.10 0.16 0.00 0.00 0.00 0.00 44.72 44.30 1b6b s GLY 116 CO -0.18 -1.10 1.40 1.42 0.00 0.00 0.00 173.10 174.64 1b6b n HIS 117 N -0.39 0.80 -4.71 1.90 8.25 -1.14 -4.61 115.22 115.32 1b6b n HIS 117 Ca -0.08 -0.55 -0.24 0.00 -0.26 0.00 0.00 57.72 56.59 1b6b n HIS 117 Cb 0.54 -0.07 -0.16 0.00 1.12 0.00 0.00 29.99 31.42 1b6b n HIS 117 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1b6b s SER 118 N -1.07 1.88 -0.54 0.41 0.01 -0.95 -1.00 113.70 112.44 1b6b s SER 118 Ca 0.36 -0.30 -0.22 0.00 1.31 0.00 0.00 55.95 57.09 1b6b s SER 118 Cb 0.21 -0.50 0.05 0.00 0.21 0.00 0.00 66.02 65.99 1b6b s SER 118 CO 0.22 0.13 0.85 0.00 0.41 0.00 0.00 173.24 174.84 1b6b s ALA 119 N 0.05 3.23 -0.42 1.44 0.00 0.10 -1.10 121.76 125.06 1b6b s ALA 119 Ca -0.03 -1.44 -0.24 0.00 0.00 0.00 0.00 51.96 50.26 1b6b s ALA 119 Cb -0.10 -3.63 0.02 0.00 0.00 0.00 0.00 23.12 19.41 1b6b s ALA 119 CO 0.01 -2.30 0.82 -1.58 0.00 0.00 0.00 175.76 172.72 1b6b s HIS 120 N 3.55 3.02 0.01 0.00 5.04 0.14 -0.46 115.29 126.58 1b6b s HIS 120 Ca 0.25 0.37 -0.30 0.00 -1.54 0.00 0.00 55.06 53.84 1b6b s HIS 120 Cb -0.15 -3.64 -0.04 0.00 0.04 0.00 0.00 32.58 28.79 1b6b s HIS 120 CO 0.16 -0.92 1.09 -0.51 -2.34 0.00 0.00 174.74 172.22 1b6b s LEU 121 N 3.34 4.35 -0.08 8.88 2.01 -0.23 -1.52 118.68 135.44 1b6b s LEU 121 Ca 0.32 1.81 0.09 0.00 0.01 0.00 0.00 54.13 56.36 1b6b s LEU 121 Cb -0.12 -3.57 -0.13 0.00 0.01 0.00 0.00 46.19 42.38 1b6b s LEU 121 CO 0.21 -0.38 0.07 1.41 1.01 0.00 0.00 176.35 178.67 1b6b n HIS 122 N 4.10 0.00 -3.63 0.29 8.25 -0.22 -4.63 115.22 119.38 1b6b n HIS 122 Ca 0.08 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.42 1b6b n HIS 122 Cb 0.49 -0.42 -0.07 0.00 1.12 0.00 0.00 29.99 31.11 1b6b n HIS 122 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b6b s ALA 123 N -2.33 -1.83 -0.24 -1.41 0.00 -1.13 -4.99 121.76 109.84 1b6b s ALA 123 Ca -0.04 2.15 -0.00 0.00 0.00 0.00 0.00 51.96 54.07 1b6b s ALA 123 Cb 0.04 -1.28 0.07 0.00 0.00 0.00 0.00 23.12 21.94 1b6b s ALA 123 CO 0.40 -0.35 -0.01 -1.17 0.00 0.00 0.00 175.76 174.63 1b6b s LEU 124 N 0.80 2.33 -0.05 0.00 0.20 -1.26 -1.97 118.68 118.73 1b6b s LEU 124 Ca -0.03 -1.20 0.06 0.00 0.69 0.00 0.00 54.13 53.65 1b6b s LEU 124 Cb -0.05 -1.03 -0.01 0.00 -0.43 0.00 0.00 46.19 44.67 1b6b s LEU 124 CO -0.06 -0.28 -0.24 0.00 -0.29 0.00 0.00 176.35 175.47 1b6b s ALA 125 N 1.50 2.10 -0.37 5.97 0.00 -0.55 -3.19 121.76 127.22 1b6b s ALA 125 Ca -0.02 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 1b6b s ALA 125 Cb -0.18 -0.62 0.06 0.00 0.00 0.00 0.00 23.12 22.38 1b6b s ALA 125 CO -0.09 0.43 0.15 0.08 0.00 0.00 0.00 175.76 176.33 1b6b s VAL 126 N -0.26 3.74 1.10 0.00 1.01 -1.14 -1.39 120.40 123.46 1b6b s VAL 126 Ca -0.00 -1.37 -0.17 0.00 0.00 0.00 0.00 61.98 60.44 1b6b s VAL 126 Cb -0.13 -3.23 0.24 0.00 0.00 0.00 0.00 36.38 33.26 1b6b s VAL 126 CO 0.02 -0.34 1.15 -1.00 0.00 0.00 0.00 175.10 174.93 1b6b s HIS 127 N 1.35 1.15 -0.56 5.22 3.76 0.20 -3.66 115.29 122.76 1b6b s HIS 127 Ca 0.01 0.58 -0.07 0.00 -0.15 0.00 0.00 55.06 55.43 1b6b s HIS 127 Cb -0.21 -3.53 0.07 0.00 1.11 0.00 0.00 32.58 30.03 1b6b s HIS 127 CO 0.01 -3.36 0.18 0.54 -0.85 0.00 0.00 174.74 171.26 1b6b n ARG 128 N -4.40 -1.20 -3.56 1.40 3.00 -1.26 -1.23 116.66 109.41 1b6b n ARG 128 Ca 0.11 0.04 -0.18 0.00 -0.01 0.00 0.00 57.85 57.81 1b6b n ARG 128 Cb 0.59 -2.05 0.01 0.00 0.00 0.00 0.00 32.46 31.00 1b6b n ARG 128 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1b6b n SER 129 N -0.65 -5.83 -2.19 0.55 2.88 -1.26 -4.87 113.62 102.25 1b6b n SER 129 Ca 0.04 -0.70 -0.29 0.00 -1.33 0.00 0.00 58.87 56.58 1b6b n SER 129 Cb 0.21 -3.03 0.11 0.00 -0.75 0.00 0.00 64.21 60.74 1b6b n SER 129 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1b6b n PHE 130 N -2.62 3.00 -1.25 0.66 3.01 -0.36 -5.01 117.46 114.89 1b6b n PHE 130 Ca -0.19 -2.58 -0.34 0.00 1.01 0.00 0.00 57.45 55.36 1b6b n PHE 130 Cb 0.62 -1.16 0.11 0.00 -0.01 0.00 0.00 39.48 39.04 1b6b n PHE 130 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1b6b s ARG 131 N -3.64 1.84 -1.78 -1.08 0.52 -1.26 -3.37 118.95 110.18 1b6b s ARG 131 Ca 0.60 1.77 0.00 0.00 -0.52 0.00 0.00 55.73 57.58 1b6b s ARG 131 Cb 0.49 -1.80 0.00 0.00 0.52 0.00 0.00 34.95 34.16 1b6b s ARG 131 CO 0.02 -2.06 0.00 1.04 0.02 0.00 0.00 175.30 174.32 1b6b n GLN 132 N -3.05 -1.42 -0.12 3.54 3.00 -1.26 -4.83 117.38 113.23 1b6b n GLN 132 Ca 0.14 0.99 0.07 0.00 -0.01 0.00 0.00 57.00 58.18 1b6b n GLN 132 Cb 0.50 -5.34 0.13 0.00 0.00 0.00 0.00 30.24 25.53 1b6b n GLN 132 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1b6b n GLN 133 N -2.20 2.01 -0.97 -1.09 6.02 -1.22 -4.97 117.38 114.96 1b6b n GLN 133 Ca -0.17 -1.79 0.00 0.00 -0.01 0.00 0.00 57.00 55.02 1b6b n GLN 133 Cb 0.57 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.54 1b6b n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1b6b n GLY 134 N 0.72 0.64 0.21 1.08 0.00 -1.26 -4.91 105.19 101.67 1b6b n GLY 134 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 1b6b n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b6b h LYS 135 N 1.67 0.00 -0.12 1.61 1.57 -1.93 -2.11 116.57 117.26 1b6b h LYS 135 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1b6b h LYS 135 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1b6b h LYS 135 CO 0.00 0.27 0.01 0.78 -0.57 0.00 0.00 179.45 179.94 1b6b h GLY 136 N 1.06 0.21 1.04 3.86 0.00 -1.90 -1.88 103.07 105.46 1b6b h GLY 136 Ca -0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 1b6b h GLY 136 CO 0.03 0.14 -0.12 1.48 0.00 0.00 0.00 176.54 178.07 1b6b h SER 137 N -0.05 0.91 -0.36 0.19 4.64 -1.94 -1.97 113.55 114.97 1b6b h SER 137 Ca 0.03 -0.36 0.03 0.00 -0.47 0.00 0.00 61.79 61.03 1b6b h SER 137 Cb 0.32 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 1b6b h SER 137 CO 0.00 1.06 0.15 0.58 -0.87 0.00 0.00 176.83 177.75 1b6b h VAL 138 N 0.74 0.93 -0.48 0.95 2.07 -1.35 0.13 116.25 119.25 1b6b h VAL 138 Ca 0.12 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.49 1b6b h VAL 138 Cb 0.67 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1b6b h VAL 138 CO 0.05 0.06 0.16 0.25 0.02 0.00 0.00 177.57 178.10 1b6b h LEU 139 N 0.32 0.69 -0.44 2.57 5.85 -1.26 -1.95 115.31 121.09 1b6b h LEU 139 Ca 0.16 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1b6b h LEU 139 Cb 0.11 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1b6b h LEU 139 CO -0.14 0.71 0.14 0.25 -0.34 0.00 0.00 178.44 179.06 1b6b h LEU 140 N 0.64 0.64 -0.38 2.25 5.85 -0.88 0.33 115.31 123.76 1b6b h LEU 140 Ca 0.16 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.73 1b6b h LEU 140 Cb 0.26 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1b6b h LEU 140 CO -0.01 0.67 0.10 -0.50 -0.34 0.00 0.00 178.44 178.36 1b6b h TRP 141 N 0.57 0.17 -0.18 1.25 -0.00 -0.61 -1.08 115.95 116.07 1b6b h TRP 141 Ca 0.14 0.02 -0.12 0.00 -0.00 0.00 0.00 58.89 58.93 1b6b h TRP 141 Cb 0.25 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.16 29.38 1b6b h TRP 141 CO 0.01 0.05 -0.41 0.00 -0.00 0.00 0.00 178.44 178.08 1b6b h ARG 142 N 0.24 0.41 -0.21 0.49 3.08 -0.94 -2.84 114.38 114.60 1b6b h ARG 142 Ca 0.18 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1b6b h ARG 142 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1b6b h ARG 142 CO -0.22 0.75 0.04 -0.92 -1.07 0.00 0.00 179.97 178.56 1b6b h TYR 143 N 0.34 0.37 -0.50 3.04 3.20 0.38 0.11 116.97 123.90 1b6b h TYR 143 Ca 0.03 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 1b6b h TYR 143 Cb 0.87 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 1b6b h TYR 143 CO 0.03 0.47 0.19 -0.07 -1.64 0.00 0.00 178.16 177.13 1b6b h LEU 144 N 0.16 0.66 -0.31 2.82 3.38 -1.22 -0.57 115.31 120.22 1b6b h LEU 144 Ca 0.07 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 1b6b h LEU 144 Cb 0.30 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1b6b h LEU 144 CO 0.00 0.61 -0.61 -0.74 0.09 0.00 0.00 178.44 177.80 1b6b h HIS 145 N 0.72 1.01 0.30 1.13 2.76 -1.29 0.80 115.15 120.59 1b6b h HIS 145 Ca 0.17 -0.38 -0.01 0.00 -2.20 0.00 0.00 60.37 57.94 1b6b h HIS 145 Cb 0.17 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 28.95 1b6b h HIS 145 CO 0.01 1.20 -0.14 1.25 -1.30 0.00 0.00 177.93 178.94 1b6b h HIS 146 N 0.59 -0.37 0.00 5.26 -0.00 -0.24 -2.57 115.15 117.83 1b6b h HIS 146 Ca -0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.24 1b6b h HIS 146 Cb 1.21 0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.73 1b6b h HIS 146 CO 0.07 -0.20 -0.54 -0.39 -0.00 0.00 0.00 177.93 176.87 1b6b h VAL 147 N -0.45 1.18 0.00 5.26 -1.51 -1.17 -2.96 116.25 116.61 1b6b h VAL 147 Ca -0.04 -2.00 0.00 0.00 -1.23 0.00 0.00 66.70 63.43 1b6b h VAL 147 Cb 0.34 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1b6b h VAL 147 CO 0.07 0.53 0.00 1.23 -1.23 0.00 0.00 177.57 178.17 1b6b h GLY 148 N 2.19 0.00 2.00 5.19 0.00 -0.72 -2.87 103.07 108.87 1b6b h GLY 148 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1b6b h GLY 148 CO 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.44 1b6b h ALA 149 N 2.27 0.93 -2.30 3.60 0.00 -1.28 -3.43 119.26 119.05 1b6b h ALA 149 Ca 0.00 -0.15 -0.55 0.00 0.00 0.00 0.00 54.91 54.20 1b6b h ALA 149 Cb 0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1b6b h ALA 149 CO 0.00 0.21 0.69 -0.65 0.00 0.00 0.00 179.25 179.50 1b6b s GLN 150 N -3.33 4.35 0.54 0.00 -0.21 -1.08 -4.92 119.66 115.01 1b6b s GLN 150 Ca 0.04 1.63 0.29 0.00 0.02 0.00 0.00 55.36 57.35 1b6b s GLN 150 Cb 0.07 -3.56 1.46 0.00 1.00 0.00 0.00 33.01 31.98 1b6b s GLN 150 CO 0.66 -0.44 1.92 -1.00 -2.12 0.00 0.00 175.29 174.31 1b6b h PRO 151 N 7.44 0.00 0.00 2.91 0.13 -1.88 -2.49 132.00 138.11 1b6b h PRO 151 Ca -0.33 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.60 1b6b h PRO 151 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1b6b h PRO 151 CO 0.88 0.00 -1.34 0.00 -0.23 0.00 0.00 178.00 177.31 1b6b h ALA 152 N 1.60 0.66 -0.86 -0.56 0.00 -1.92 -3.43 119.26 114.75 1b6b h ALA 152 Ca 0.34 -0.96 -0.53 0.00 0.00 0.00 0.00 54.91 53.76 1b6b h ALA 152 Cb 1.42 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.39 1b6b h ALA 152 CO -0.00 1.08 1.52 0.08 0.00 0.00 0.00 179.25 181.93 1b6b s VAL 153 N -2.83 3.84 -0.75 0.00 1.01 -0.94 -4.33 120.40 116.40 1b6b s VAL 153 Ca -0.02 -1.08 0.26 0.00 0.00 0.00 0.00 61.98 61.14 1b6b s VAL 153 Cb 0.08 -4.84 0.28 0.00 0.00 0.00 0.00 36.38 31.90 1b6b s VAL 153 CO 0.81 -1.64 1.79 0.54 0.00 0.00 0.00 175.10 176.60 1b6b n ARG 154 N 8.63 0.22 -3.53 2.72 1.74 -0.17 -4.52 116.66 121.75 1b6b n ARG 154 Ca 0.41 0.20 -0.11 0.00 -0.77 0.00 0.00 57.85 57.59 1b6b n ARG 154 Cb 0.48 -1.77 -0.04 0.00 -1.02 0.00 0.00 32.46 30.12 1b6b n ARG 154 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1b6b s ARG 155 N -3.10 0.80 -0.08 5.56 1.70 -1.11 -1.34 118.95 121.38 1b6b s ARG 155 Ca 0.11 -0.07 -0.05 0.00 -0.47 0.00 0.00 55.73 55.25 1b6b s ARG 155 Cb 0.13 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 1b6b s ARG 155 CO 0.57 -0.30 0.12 0.00 -1.08 0.00 0.00 175.30 174.61 1b6b s ALA 156 N -2.17 3.77 0.01 7.88 0.00 0.12 0.03 121.76 131.40 1b6b s ALA 156 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1b6b s ALA 156 Cb -0.01 -1.84 -0.01 0.00 0.00 0.00 0.00 23.12 21.26 1b6b s ALA 156 CO -0.03 0.65 -0.04 0.08 0.00 0.00 0.00 175.76 176.42 1b6b s VAL 157 N -1.08 0.23 0.24 0.00 1.01 0.39 0.07 120.40 121.26 1b6b s VAL 157 Ca 0.18 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.44 1b6b s VAL 157 Cb -0.12 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1b6b s VAL 157 CO 0.08 -0.17 0.73 -1.48 0.00 0.00 0.00 175.10 174.25 1b6b s LEU 158 N -0.71 -0.30 -0.03 3.92 0.05 -0.51 -1.06 118.68 120.03 1b6b s LEU 158 Ca -0.06 -0.49 0.06 0.00 0.05 0.00 0.00 54.13 53.69 1b6b s LEU 158 Cb -0.05 2.64 -0.02 0.00 -2.05 0.00 0.00 46.19 46.71 1b6b s LEU 158 CO -0.00 -1.24 -0.21 -0.32 -0.55 0.00 0.00 176.35 174.03 1b6b s MET 159 N -3.81 2.28 0.10 1.48 1.75 -1.26 -0.22 119.30 119.61 1b6b s MET 159 Ca 0.10 -0.84 -0.20 0.00 -1.25 0.00 0.00 55.69 53.50 1b6b s MET 159 Cb -0.05 -2.17 0.05 0.00 2.84 0.00 0.00 34.83 35.50 1b6b s MET 159 CO 0.03 0.58 0.49 0.00 -0.65 0.00 0.00 175.02 175.47 1b6b s GLU 161 N -3.18 4.09 0.37 0.00 8.01 -1.26 -0.34 118.70 126.39 1b6b s GLU 161 Ca -0.01 1.99 0.20 0.00 0.01 0.00 0.00 54.97 57.16 1b6b s GLU 161 Cb 0.00 -2.78 1.21 0.00 -4.31 0.00 0.00 34.13 28.26 1b6b s GLU 161 CO -0.08 -0.34 1.65 -0.44 0.01 0.00 0.00 175.26 176.06 1b6b h ASP 162 N 2.80 0.41 -0.67 -0.19 3.32 -1.94 0.43 116.42 120.58 1b6b h ASP 162 Ca -0.49 0.18 0.04 0.00 0.02 0.00 0.00 57.03 56.78 1b6b h ASP 162 Cb 1.24 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.89 1b6b h ASP 162 CO 0.63 -0.18 0.45 0.00 -1.72 0.00 0.00 179.24 178.42 1b6b h ALA 163 N 1.79 1.64 -0.01 3.45 0.00 -2.00 -1.52 119.26 122.62 1b6b h ALA 163 Ca 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.64 1b6b h ALA 163 Cb 1.97 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1b6b h ALA 163 CO -0.56 0.28 -0.21 1.28 0.00 0.00 0.00 179.25 180.04 1b6b n LEU 164 N -4.46 0.82 0.14 0.00 4.77 0.15 -4.39 117.00 114.03 1b6b n LEU 164 Ca 0.09 -0.16 -0.15 0.00 -0.03 0.00 0.00 56.01 55.75 1b6b n LEU 164 Cb 0.14 -0.15 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 1b6b n LEU 164 CO 0.35 0.15 0.56 0.58 -1.33 0.00 0.00 177.39 177.70 1b6b h VAL 165 N 0.96 0.10 -0.86 4.08 2.07 -1.15 -1.00 116.25 120.45 1b6b h VAL 165 Ca 0.00 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.76 1b6b h VAL 165 Cb 0.46 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1b6b h VAL 165 CO 0.00 0.00 0.61 -0.65 0.02 0.00 0.00 177.57 177.55 1b6b h PRO 166 N -0.73 0.09 0.49 1.57 0.11 -1.77 -1.13 132.00 130.64 1b6b h PRO 166 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1b6b h PRO 166 Cb 0.73 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1b6b h PRO 166 CO -0.22 0.06 -0.24 0.35 -0.21 0.00 0.00 178.00 177.74 1b6b h PHE 167 N 0.10 -0.61 0.00 0.65 3.57 -1.47 -3.08 116.94 116.09 1b6b h PHE 167 Ca 0.42 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.90 1b6b h PHE 167 Cb 1.52 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 40.46 1b6b h PHE 167 CO -0.00 -0.29 -0.02 1.88 -2.23 0.00 0.00 178.31 177.65 1b6b h TYR 168 N -0.94 0.00 0.00 0.41 0.05 -0.46 -1.00 116.97 115.03 1b6b h TYR 168 Ca -0.07 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.66 1b6b h TYR 168 Cb 0.60 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 1b6b h TYR 168 CO 0.01 0.02 -0.26 1.96 -1.05 0.00 0.00 178.16 178.84 1b6b h GLN 169 N 0.00 0.00 0.00 4.88 4.20 -1.25 -2.63 115.11 120.31 1b6b h GLN 169 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1b6b h GLN 169 Cb 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 1b6b h GLN 169 CO 0.00 0.26 -0.04 0.00 -0.67 0.00 0.00 178.83 178.38 1b6b h ARG 170 N 0.00 0.00 -0.61 1.46 3.08 -1.16 -2.68 114.38 114.47 1b6b h ARG 170 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b6b h ARG 170 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1b6b h ARG 170 CO 0.03 0.04 0.00 1.19 -1.07 0.00 0.00 179.97 180.16 1b6b n PHE 171 N -3.67 0.82 0.00 3.04 3.01 -1.03 -4.94 117.46 114.69 1b6b n PHE 171 Ca -0.03 -0.50 0.00 0.00 1.01 0.00 0.00 57.45 57.93 1b6b n PHE 171 Cb 0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1b6b n PHE 171 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1b6b n GLY 172 N 1.27 0.64 3.79 1.37 0.00 -1.01 -5.07 105.19 106.19 1b6b n GLY 172 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1b6b n GLY 172 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b6b s PHE 173 N -2.00 2.92 0.00 1.61 0.40 -1.02 -4.58 117.98 115.32 1b6b s PHE 173 Ca 0.00 1.56 0.02 0.00 -0.60 0.00 0.00 56.93 57.91 1b6b s PHE 173 Cb 0.00 -3.11 -0.01 0.00 0.51 0.00 0.00 43.02 40.42 1b6b s PHE 173 CO 0.00 -1.04 -0.05 -1.01 0.70 0.00 0.00 175.22 173.82 1b6b s HIS 174 N -2.00 0.45 -0.19 0.36 3.76 0.22 -4.18 115.29 113.71 1b6b s HIS 174 Ca 0.68 -0.14 -0.29 0.00 -0.15 0.00 0.00 55.06 55.16 1b6b s HIS 174 Cb -0.18 -0.29 -0.04 0.00 1.11 0.00 0.00 32.58 33.19 1b6b s HIS 174 CO 0.24 -0.02 1.71 -1.25 -0.85 0.00 0.00 174.74 174.56 1b6b s PRO 175 N -0.32 3.79 0.18 8.40 0.04 -1.26 -1.10 135.00 144.71 1b6b s PRO 175 Ca -0.00 1.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 1b6b s PRO 175 Cb -0.03 -4.08 0.06 0.00 0.04 0.00 0.00 34.50 30.50 1b6b s PRO 175 CO -0.00 -1.31 1.52 0.00 0.04 0.00 0.00 177.00 177.25 1b6b h ALA 176 N 11.05 0.69 0.00 8.56 0.00 -0.62 -3.48 119.26 135.46 1b6b h ALA 176 Ca -0.36 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1b6b h ALA 176 Cb 1.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1b6b h ALA 176 CO 0.99 0.67 0.00 0.41 0.00 0.00 0.00 179.25 181.32 1b6b n GLY 177 N 0.07 0.11 0.00 0.00 0.00 -1.25 -5.07 105.19 99.06 1b6b n GLY 177 Ca -0.02 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.32 1b6b n GLY 177 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1b6b n PRO 178 N 0.00 0.00 -2.95 1.61 -0.04 -1.26 -4.02 135.00 128.34 1b6b n PRO 178 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1b6b n PRO 178 Cb 0.00 -0.22 0.01 0.00 -0.04 0.00 0.00 33.50 33.25 1b6b n PRO 178 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1b6b n ALA 180 N 0.28 6.45 -2.26 0.00 0.00 -1.26 -4.71 120.51 119.02 1b6b n ALA 180 Ca 0.03 -2.53 -0.37 0.00 0.00 0.00 0.00 53.44 50.57 1b6b n ALA 180 Cb 0.34 -2.88 -0.06 0.00 0.00 0.00 0.00 19.45 16.85 1b6b n ALA 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1b6b s ILE 181 N 1.94 4.73 -0.28 0.00 1.01 -1.26 -4.89 121.20 122.45 1b6b s ILE 181 Ca 0.62 1.15 -0.03 0.00 0.00 0.00 0.00 60.65 62.39 1b6b s ILE 181 Cb 0.21 -3.86 0.09 0.00 0.01 0.00 0.00 42.46 38.91 1b6b s ILE 181 CO -0.03 0.43 0.10 0.68 0.00 0.00 0.00 174.94 176.12 1b6b s VAL 182 N -1.26 0.40 -0.56 2.92 -7.23 -1.26 -3.33 120.40 110.09 1b6b s VAL 182 Ca 0.33 -0.98 -0.23 0.00 -1.81 0.00 0.00 61.98 59.29 1b6b s VAL 182 Cb -0.18 -1.26 0.05 0.00 0.56 0.00 0.00 36.38 35.54 1b6b s VAL 182 CO 0.20 -0.63 0.90 -0.69 -0.31 0.00 0.00 175.10 174.57 1b6b s VAL 183 N 1.87 4.44 0.00 1.32 1.01 -1.22 -4.61 120.40 123.20 1b6b s VAL 183 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1b6b s VAL 183 Cb -0.17 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.69 1b6b s VAL 183 CO -0.27 -1.11 0.00 0.61 0.00 0.00 0.00 175.10 174.32 1b6b n GLY 184 N 5.15 1.33 0.00 4.51 0.00 -1.26 -3.28 105.19 111.64 1b6b n GLY 184 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1b6b n GLY 184 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1b6b n SER 185 N 2.82 0.02 -4.76 1.61 3.41 -1.26 -5.10 113.62 110.36 1b6b n SER 185 Ca 0.00 -0.27 -0.41 0.00 -0.26 0.00 0.00 58.87 57.94 1b6b n SER 185 Cb 0.00 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1b6b n SER 185 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1b6b s LEU 186 N -0.12 4.46 -0.36 1.04 2.96 -1.20 -5.01 118.68 120.46 1b6b s LEU 186 Ca 0.00 2.52 -0.14 0.00 -0.22 0.00 0.00 54.13 56.30 1b6b s LEU 186 Cb 0.00 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 1b6b s LEU 186 CO 0.00 -0.41 0.28 -0.89 -1.32 0.00 0.00 176.35 174.01 1b6b s THR 187 N -0.98 5.25 0.24 3.68 2.01 -1.26 -3.44 115.64 121.14 1b6b s THR 187 Ca 0.49 -0.24 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 1b6b s THR 187 Cb -0.37 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 1b6b s THR 187 CO 0.47 -0.09 0.47 -0.36 -0.69 0.00 0.00 174.62 174.42 1b6b s PHE 188 N 1.79 3.48 -0.14 4.92 0.08 -1.21 -4.70 117.98 122.21 1b6b s PHE 188 Ca 0.07 0.50 -0.16 0.00 0.12 0.00 0.00 56.93 57.47 1b6b s PHE 188 Cb -0.17 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.24 1b6b s PHE 188 CO 0.11 0.28 0.38 0.99 -0.10 0.00 0.00 175.22 176.88 1b6b s THR 189 N -1.96 5.25 -0.09 0.64 2.01 0.54 -4.72 115.64 117.31 1b6b s THR 189 Ca 0.41 0.73 -0.28 0.00 0.31 0.00 0.00 61.69 62.87 1b6b s THR 189 Cb -0.11 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1b6b s THR 189 CO 0.29 0.37 0.91 -0.70 -0.69 0.00 0.00 174.62 174.80 1b6b s GLU 190 N 0.46 4.43 -0.04 4.92 2.12 -1.26 -1.18 118.70 128.15 1b6b s GLU 190 Ca 0.21 1.23 0.04 0.00 0.36 0.00 0.00 54.97 56.80 1b6b s GLU 190 Cb -0.14 -3.51 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1b6b s GLU 190 CO 0.07 -0.19 -0.14 -1.64 -0.54 0.00 0.00 175.26 172.82 1b6b s MET 191 N 1.60 2.48 0.07 4.30 -1.94 0.69 0.16 119.30 126.67 1b6b s MET 191 Ca 0.45 -0.71 0.07 0.00 -1.71 0.00 0.00 55.69 53.79 1b6b s MET 191 Cb -0.18 -2.37 -0.03 0.00 2.01 0.00 0.00 34.83 34.25 1b6b s MET 191 CO 0.19 0.62 -0.18 -1.01 -0.01 0.00 0.00 175.02 174.63 1b6b s HIS 192 N -0.75 1.55 -0.21 -0.03 3.76 -0.26 -1.43 115.29 117.92 1b6b s HIS 192 Ca 0.12 -0.41 -0.04 0.00 -0.15 0.00 0.00 55.06 54.58 1b6b s HIS 192 Cb -0.11 -0.88 0.09 0.00 1.11 0.00 0.00 32.58 32.80 1b6b s HIS 192 CO 0.01 0.12 0.20 0.00 -0.85 0.00 0.00 174.74 174.22 1b6b s SER 194 N 2.29 6.77 0.00 0.00 0.01 -1.26 0.13 113.70 121.64 1b6b s SER 194 Ca 0.06 2.44 0.23 0.00 1.31 0.00 0.00 55.95 59.99 1b6b s SER 194 Cb -0.16 -2.60 0.16 0.00 0.21 0.00 0.00 66.02 63.64 1b6b s SER 194 CO -0.14 -0.67 1.17 0.18 0.41 0.00 0.00 173.24 174.20 1b6b n LEU 195 N 3.49 0.90 -4.40 2.44 4.77 -0.45 -4.83 117.00 118.93 1b6b n LEU 195 Ca 0.10 -0.31 -0.40 0.00 -0.03 0.00 0.00 56.01 55.38 1b6b n LEU 195 Cb 0.41 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 1b6b n LEU 195 CO 0.59 0.21 -0.18 -0.13 -1.33 0.00 0.00 177.39 176.55 1b6b s ARG 196 N -2.91 3.04 -0.02 3.23 1.81 -1.23 -5.00 118.95 117.87 1b6b s ARG 196 Ca 0.11 -0.93 -0.10 0.00 -1.72 0.00 0.00 55.73 53.10 1b6b s ARG 196 Cb 0.17 -3.65 0.01 0.00 -0.45 0.00 0.00 34.95 31.04 1b6b s ARG 196 CO 0.75 -0.58 0.21 0.20 -0.68 0.00 0.00 175.30 175.20 1b6b s GLY 197 N 1.57 -0.06 -0.76 -3.53 0.00 -1.26 -5.10 107.32 98.18 1b6b s GLY 197 Ca 0.03 0.16 -0.26 0.00 0.00 0.00 0.00 44.72 44.65 1b6b s GLY 197 CO 0.06 0.02 1.43 0.30 0.00 0.00 0.00 173.10 174.91 1b6b s HIS 198 N -1.04 2.19 -0.01 1.90 3.76 -1.26 -4.97 115.29 115.87 1b6b s HIS 198 Ca -0.11 0.00 -0.30 0.00 -0.15 0.00 0.00 55.06 54.50 1b6b s HIS 198 Cb -0.06 -4.53 -0.06 0.00 1.11 0.00 0.00 32.58 29.05 1b6b s HIS 198 CO 0.02 -2.09 1.53 0.00 -0.85 0.00 0.00 174.74 173.36 1b6b s ALA 199 N 6.35 3.62 0.00 -1.40 0.00 -1.26 -4.77 121.76 124.30 1b6b s ALA 199 Ca 0.43 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1b6b s ALA 199 Cb -0.08 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1b6b s ALA 199 CO 0.12 -1.11 0.00 0.00 0.00 0.00 0.00 175.76 174.76 1b6b n ALA 200 N 5.99 0.76 -1.54 0.00 0.00 -1.26 -5.35 120.51 119.11 1b6b n ALA 200 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1b6b n ALA 200 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1b6b n ALA 200 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97