#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pui s MET 13 N 0.00 1.57 -0.11 5.55 -1.94 -0.44 -4.98 119.30 118.95 1pui s MET 13 Ca 0.00 -1.53 -0.04 0.00 -1.71 0.00 0.00 55.69 52.41 1pui s MET 13 Cb 0.00 -1.86 0.05 0.00 2.01 0.00 0.00 34.83 35.03 1pui s MET 13 CO 0.00 0.40 0.21 -1.54 -0.01 0.00 0.00 175.02 174.08 1pui s SER 14 N -2.76 0.43 0.03 3.03 1.04 -1.26 0.12 113.70 114.34 1pui s SER 14 Ca 0.22 0.47 0.07 0.00 0.48 0.00 0.00 55.95 57.19 1pui s SER 14 Cb -0.08 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 1pui s SER 14 CO 0.11 -0.23 -0.20 0.00 0.98 0.00 0.00 173.24 173.90 1pui s ALA 15 N 2.19 2.52 0.26 5.32 0.00 0.25 -4.89 121.76 127.40 1pui s ALA 15 Ca 0.00 -1.19 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 1pui s ALA 15 Cb -0.12 -0.70 0.32 0.00 0.00 0.00 0.00 23.12 22.63 1pui s ALA 15 CO -0.07 0.56 1.69 -1.00 0.00 0.00 0.00 175.76 176.94 1pui h PRO 16 N 4.68 0.61 -3.51 0.00 0.13 -1.90 -0.39 132.00 131.63 1pui h PRO 16 Ca -0.47 -0.23 -0.05 0.00 -0.87 0.00 0.00 66.00 64.38 1pui h PRO 16 Cb 1.15 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.17 1pui h PRO 16 CO 0.47 0.79 -0.02 0.16 -0.23 0.00 0.00 178.00 179.17 1pui s ASP 17 N -6.77 -0.02 0.55 1.44 1.47 -1.26 -4.75 116.67 107.33 1pui s ASP 17 Ca -0.08 -0.94 0.23 0.00 1.18 0.00 0.00 52.55 52.95 1pui s ASP 17 Cb 0.14 0.65 1.52 0.00 -0.34 0.00 0.00 42.92 44.88 1pui s ASP 17 CO 0.81 -1.25 2.16 0.16 0.68 0.00 0.00 175.17 177.73 1pui h ILE 18 N 2.17 0.74 0.00 2.11 3.07 -1.93 -0.28 117.51 123.39 1pui h ILE 18 Ca -0.25 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.14 1pui h ILE 18 Cb 1.25 0.95 -0.00 0.00 -0.27 0.00 0.00 36.82 38.75 1pui h ILE 18 CO 0.34 0.00 -0.10 0.03 -1.05 0.00 0.00 178.15 177.37 1pui h ARG 19 N 0.00 0.00 -0.36 0.16 3.08 -2.00 -2.14 114.38 113.13 1pui h ARG 19 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1pui h ARG 19 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1pui h ARG 19 CO -0.00 0.10 0.00 0.72 -1.07 0.00 0.00 179.97 179.72 1pui n HIS 20 N -3.40 0.46 -2.41 3.04 8.25 -0.12 -4.95 115.22 116.08 1pui n HIS 20 Ca -0.01 -0.23 -0.35 0.00 -0.26 0.00 0.00 57.72 56.87 1pui n HIS 20 Cb 0.27 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.36 1pui n HIS 20 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pui s LEU 21 N -1.47 3.86 1.34 2.41 1.43 -0.81 -4.85 118.68 120.59 1pui s LEU 21 Ca 0.37 2.07 -0.21 0.00 -1.03 0.00 0.00 54.13 55.34 1pui s LEU 21 Cb 0.22 -4.50 0.32 0.00 0.03 0.00 0.00 46.19 42.26 1pui s LEU 21 CO 0.30 -0.93 0.76 -0.81 0.23 0.00 0.00 176.35 175.90 1pui n PRO 22 N -0.95 -3.99 -1.61 1.29 -0.04 -1.26 -4.85 135.00 123.59 1pui n PRO 22 Ca 0.10 -1.18 -0.45 0.00 -0.04 0.00 0.00 63.50 61.93 1pui n PRO 22 Cb 0.51 -1.85 -0.02 0.00 -0.04 0.00 0.00 33.50 32.10 1pui n PRO 22 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pui n SER 23 N -4.66 1.57 -3.89 3.54 2.88 -1.26 -4.89 113.62 106.91 1pui n SER 23 Ca 0.10 1.18 -0.42 0.00 -1.33 0.00 0.00 58.87 58.40 1pui n SER 23 Cb 0.54 -1.32 0.01 0.00 -0.75 0.00 0.00 64.21 62.69 1pui n SER 23 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1pui n ASP 24 N 1.27 6.09 0.00 -3.46 2.03 -1.26 -4.77 116.55 116.45 1pui n ASP 24 Ca 0.09 -3.31 0.00 0.00 0.52 0.00 0.00 54.79 52.10 1pui n ASP 24 Cb 0.32 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.37 1pui n ASP 24 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1pui n THR 25 N 1.99 0.00 0.00 5.18 -2.24 -1.26 -4.54 114.28 113.41 1pui n THR 25 Ca 0.35 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.13 1pui n THR 25 Cb 0.33 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1pui n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pui n GLY 26 N 3.39 -2.25 3.51 3.38 0.00 -1.26 -4.62 105.19 107.33 1pui n GLY 26 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 1pui n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pui s ILE 27 N 0.00 3.02 -0.02 -0.61 1.01 0.48 -4.50 121.20 120.58 1pui s ILE 27 Ca 0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 60.65 59.32 1pui s ILE 27 Cb 0.00 -2.35 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1pui s ILE 27 CO 0.00 0.20 0.11 -0.70 0.00 0.00 0.00 174.94 174.55 1pui s GLU 28 N -1.88 0.28 -0.10 2.79 2.12 0.26 -2.51 118.70 119.67 1pui s GLU 28 Ca 0.18 -0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.37 1pui s GLU 28 Cb -0.11 0.12 0.03 0.00 0.26 0.00 0.00 34.13 34.43 1pui s GLU 28 CO 0.09 -0.06 -0.06 0.08 -0.54 0.00 0.00 175.26 174.78 1pui s VAL 29 N -0.64 0.84 0.17 3.70 1.01 -0.85 0.89 120.40 125.51 1pui s VAL 29 Ca -0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1pui s VAL 29 Cb -0.04 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1pui s VAL 29 CO 0.00 0.34 0.36 0.00 0.00 0.00 0.00 175.10 175.80 1pui s ALA 30 N 1.73 3.86 -0.11 5.51 0.00 -0.63 -0.41 121.76 131.71 1pui s ALA 30 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1pui s ALA 30 Cb -0.13 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 21.02 1pui s ALA 30 CO -0.07 0.55 -0.17 -0.06 0.00 0.00 0.00 175.76 176.01 1pui s PHE 31 N -1.76 2.11 0.20 0.00 0.40 0.13 -0.02 117.98 119.03 1pui s PHE 31 Ca 0.38 -0.96 0.04 0.00 -0.60 0.00 0.00 56.93 55.80 1pui s PHE 31 Cb -0.12 -1.48 -0.05 0.00 0.51 0.00 0.00 43.02 41.88 1pui s PHE 31 CO 0.28 -0.46 -0.05 0.00 0.70 0.00 0.00 175.22 175.69 1pui s ALA 32 N 0.80 1.71 0.00 5.36 0.00 0.18 -1.23 121.76 128.58 1pui s ALA 32 Ca -0.10 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.20 1pui s ALA 32 Cb -0.16 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1pui s ALA 32 CO 0.01 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.02 1pui n GLY 33 N -0.34 3.58 3.54 0.00 0.00 -1.26 -1.18 105.19 109.52 1pui n GLY 33 Ca -0.07 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 1pui n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pui s ARG 34 N -2.33 -0.73 0.67 1.61 0.52 -1.26 -3.45 118.95 113.98 1pui s ARG 34 Ca 0.00 0.61 -0.15 0.00 -0.52 0.00 0.00 55.73 55.66 1pui s ARG 34 Cb 0.00 -1.59 0.01 0.00 0.52 0.00 0.00 34.95 33.88 1pui s ARG 34 CO 0.00 -3.54 1.14 0.45 0.02 0.00 0.00 175.30 173.37 1pui s SER 35 N -2.93 4.90 -1.89 0.23 0.15 -1.26 -2.86 113.70 110.04 1pui s SER 35 Ca 0.68 2.12 0.00 0.00 0.70 0.00 0.00 55.95 59.45 1pui s SER 35 Cb -0.22 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1pui s SER 35 CO 0.62 -1.78 0.00 0.59 1.20 0.00 0.00 173.24 173.87 1pui n ASN 36 N -2.40 -5.43 0.05 5.45 3.02 -1.26 -4.82 115.26 109.87 1pui n ASN 36 Ca 0.11 0.25 0.12 0.00 -0.03 0.00 0.00 54.58 55.04 1pui n ASN 36 Cb 0.51 -4.67 0.22 0.00 -0.61 0.00 0.00 39.78 35.23 1pui n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pui n ALA 37 N -0.39 2.99 0.00 5.41 0.00 -1.13 -4.94 120.51 122.45 1pui n ALA 37 Ca -0.22 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1pui n ALA 37 Cb 0.66 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1pui n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pui n GLY 38 N 1.38 1.06 0.47 0.00 0.00 -1.26 -4.60 105.19 102.24 1pui n GLY 38 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1pui n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pui h LYS 39 N 0.88 -0.89 -0.64 1.61 1.57 -1.92 0.61 116.57 117.80 1pui h LYS 39 Ca 0.00 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1pui h LYS 39 Cb 0.00 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1pui h LYS 39 CO 0.00 -0.59 0.37 0.77 -0.57 0.00 0.00 179.45 179.43 1pui h SER 40 N -0.92 0.78 -0.86 0.86 0.02 -1.98 0.37 113.55 111.82 1pui h SER 40 Ca -0.05 -0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1pui h SER 40 Cb 0.82 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.12 1pui h SER 40 CO -0.08 0.62 0.45 -1.28 -1.14 0.00 0.00 176.83 175.40 1pui h SER 41 N 0.86 1.08 0.10 3.07 0.87 -1.92 0.21 113.55 117.82 1pui h SER 41 Ca 0.23 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1pui h SER 41 Cb 0.00 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 1pui h SER 41 CO -0.04 0.88 -0.05 0.00 -0.53 0.00 0.00 176.83 177.09 1pui h ALA 42 N 1.29 -0.13 -0.32 6.23 0.00 0.67 -3.01 119.26 123.99 1pui h ALA 42 Ca 0.30 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1pui h ALA 42 Cb 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1pui h ALA 42 CO -0.05 -0.34 0.22 -0.07 0.00 0.00 0.00 179.25 179.02 1pui h LEU 43 N -0.61 0.12 -0.77 0.00 3.38 -0.79 -1.65 115.31 114.98 1pui h LEU 43 Ca -0.01 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.08 1pui h LEU 43 Cb 0.49 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 1pui h LEU 43 CO 0.02 0.08 0.38 -1.13 0.09 0.00 0.00 178.44 177.88 1pui h ASN 44 N 0.14 0.46 0.00 -0.43 -0.73 -0.44 0.91 115.58 115.49 1pui h ASN 44 Ca 0.14 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.39 1pui h ASN 44 Cb 0.40 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.00 1pui h ASN 44 CO -0.02 0.23 0.00 0.35 -0.37 0.00 0.00 177.43 177.62 1pui n THR 45 N -4.88 0.55 -0.04 -3.57 -2.24 -0.62 -2.68 114.28 100.79 1pui n THR 45 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 1pui n THR 45 Cb 0.35 -0.76 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 1pui n THR 45 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1pui n LEU 46 N 0.32 0.00 -3.69 3.22 4.77 0.29 -5.02 117.00 116.90 1pui n LEU 46 Ca 0.00 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.79 1pui n LEU 46 Cb 0.37 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1pui n LEU 46 CO 0.00 0.00 0.14 -0.89 -1.33 0.00 0.00 177.39 175.31 1pui s THR 47 N -0.09 0.05 -0.78 -5.08 2.01 -1.06 -5.06 115.64 105.63 1pui s THR 47 Ca 0.00 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1pui s THR 47 Cb 0.00 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.72 1pui s THR 47 CO 0.00 -0.21 0.45 0.59 -0.69 0.00 0.00 174.62 174.77 1pui n ASN 48 N 0.98 1.07 0.00 3.53 3.02 -1.26 -4.75 115.26 117.85 1pui n ASN 48 Ca -0.20 -1.49 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 1pui n ASN 48 Cb 0.57 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 1pui n ASN 48 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1pui n GLN 63 N 0.24 0.00 -2.57 3.52 -0.06 -1.26 -5.08 117.38 112.16 1pui n GLN 63 Ca 0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 54.75 1pui n GLN 63 Cb 0.23 0.00 0.03 0.00 -4.06 0.00 0.00 30.24 26.43 1pui n GLN 63 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1pui s LEU 64 N -4.08 3.36 -0.37 1.69 2.01 -1.26 -4.81 118.68 115.22 1pui s LEU 64 Ca 0.00 0.58 -0.13 0.00 0.01 0.00 0.00 54.13 54.59 1pui s LEU 64 Cb 0.00 -3.42 0.01 0.00 0.01 0.00 0.00 46.19 42.78 1pui s LEU 64 CO 0.00 -0.96 0.25 -0.63 1.01 0.00 0.00 176.35 176.02 1pui s ILE 65 N -2.86 5.06 0.12 -0.59 1.01 -0.16 -3.90 121.20 119.90 1pui s ILE 65 Ca 0.52 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.50 1pui s ILE 65 Cb -0.10 -3.72 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 1pui s ILE 65 CO 0.43 -0.15 0.55 0.20 0.00 0.00 0.00 174.94 175.97 1pui s ASN 66 N 1.66 6.89 -0.01 3.58 0.01 -0.58 -0.58 114.94 125.92 1pui s ASN 66 Ca 0.05 1.13 0.03 0.00 -0.71 0.00 0.00 52.86 53.36 1pui s ASN 66 Cb -0.18 -2.31 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 1pui s ASN 66 CO 0.09 0.15 -0.10 -0.76 -1.51 0.00 0.00 177.10 174.97 1pui s LEU 67 N -1.71 2.02 -0.12 0.60 1.02 0.12 0.70 118.68 121.32 1pui s LEU 67 Ca 0.35 -0.19 -0.00 0.00 0.02 0.00 0.00 54.13 54.30 1pui s LEU 67 Cb -0.16 -0.53 0.03 0.00 0.02 0.00 0.00 46.19 45.55 1pui s LEU 67 CO 0.19 0.12 -0.07 -0.36 0.02 0.00 0.00 176.35 176.25 1pui s PHE 68 N -0.26 1.47 -0.76 0.29 0.40 0.71 -1.33 117.98 118.50 1pui s PHE 68 Ca 0.04 -0.75 -0.18 0.00 -0.60 0.00 0.00 56.93 55.44 1pui s PHE 68 Cb -0.04 -1.23 0.14 0.00 0.51 0.00 0.00 43.02 42.40 1pui s PHE 68 CO -0.00 -0.52 0.88 -2.00 0.70 0.00 0.00 175.22 174.28 1pui s GLU 69 N 1.71 3.36 0.46 0.44 2.12 -1.26 0.59 118.70 126.13 1pui s GLU 69 Ca 0.05 -1.68 0.19 0.00 0.36 0.00 0.00 54.97 53.88 1pui s GLU 69 Cb -0.13 -4.52 1.13 0.00 0.26 0.00 0.00 34.13 30.87 1pui s GLU 69 CO -0.08 -1.59 2.00 0.28 -0.54 0.00 0.00 175.26 175.33 1pui h VAL 70 N 5.65 0.94 -2.36 3.70 2.07 -1.85 -3.45 116.25 120.96 1pui h VAL 70 Ca -0.05 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 1pui h VAL 70 Cb 1.05 1.38 -0.16 0.00 -1.52 0.00 0.00 31.29 32.05 1pui h VAL 70 CO 1.03 0.18 0.26 0.00 0.02 0.00 0.00 177.57 179.07 1pui s ALA 71 N -4.42 -1.73 -0.05 1.67 0.00 -1.11 -5.06 121.76 111.07 1pui s ALA 71 Ca -0.03 1.00 -0.37 0.00 0.00 0.00 0.00 51.96 52.56 1pui s ALA 71 Cb 0.15 0.31 -0.16 0.00 0.00 0.00 0.00 23.12 23.42 1pui s ALA 71 CO 0.66 -0.55 1.55 -3.47 0.00 0.00 0.00 175.76 173.95 1pui n ASP 72 N 0.29 2.21 0.00 0.00 2.03 -1.26 0.15 116.55 119.97 1pui n ASP 72 Ca -0.16 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.23 1pui n ASP 72 Cb 0.61 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 1pui n ASP 72 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pui n GLY 73 N 3.35 2.85 3.16 0.27 0.00 -1.26 -4.97 105.19 108.59 1pui n GLY 73 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1pui n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pui s LYS 74 N -0.07 2.56 0.10 1.61 -0.14 0.12 -0.39 119.74 123.54 1pui s LYS 74 Ca 0.00 -1.16 0.07 0.00 -1.36 0.00 0.00 55.97 53.52 1pui s LYS 74 Cb 0.00 -3.02 -0.03 0.00 -1.68 0.00 0.00 37.83 33.09 1pui s LYS 74 CO 0.00 -0.51 -0.19 1.03 -0.76 0.00 0.00 175.35 174.92 1pui s ARG 75 N 1.25 1.06 -0.14 1.68 0.52 -1.05 -2.40 118.95 119.88 1pui s ARG 75 Ca -0.04 -1.14 -0.04 0.00 -0.52 0.00 0.00 55.73 53.99 1pui s ARG 75 Cb -0.18 -1.24 -0.03 0.00 0.52 0.00 0.00 34.95 34.02 1pui s ARG 75 CO -0.04 0.28 0.02 -0.51 0.02 0.00 0.00 175.30 175.07 1pui s LEU 76 N -1.95 3.60 -0.16 2.53 1.43 0.20 -2.00 118.68 122.32 1pui s LEU 76 Ca 0.05 0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1pui s LEU 76 Cb -0.09 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.26 1pui s LEU 76 CO 0.04 0.25 -0.17 -0.69 0.23 0.00 0.00 176.35 176.01 1pui s VAL 77 N -0.10 2.47 -0.47 -1.59 1.01 0.45 -0.21 120.40 121.96 1pui s VAL 77 Ca 0.05 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.07 1pui s VAL 77 Cb -0.13 -2.04 0.09 0.00 0.00 0.00 0.00 36.38 34.30 1pui s VAL 77 CO 0.02 0.52 0.38 -0.62 0.00 0.00 0.00 175.10 175.40 1pui s ASP 78 N 0.97 6.00 0.30 3.32 -1.08 0.22 0.22 116.67 126.62 1pui s ASP 78 Ca -0.03 -1.51 -0.28 0.00 -0.52 0.00 0.00 52.55 50.22 1pui s ASP 78 Cb -0.15 -2.13 -0.09 0.00 -1.46 0.00 0.00 42.92 39.09 1pui s ASP 78 CO -0.03 -0.67 0.98 -0.76 0.52 0.00 0.00 175.17 175.21 1pui s LEU 79 N 1.56 4.46 0.23 -1.34 1.43 -0.36 -1.52 118.68 123.12 1pui s LEU 79 Ca 0.04 1.96 -0.32 0.00 -1.03 0.00 0.00 54.13 54.78 1pui s LEU 79 Cb -0.25 -3.84 -0.12 0.00 0.03 0.00 0.00 46.19 42.01 1pui s LEU 79 CO 0.04 -0.05 1.62 -0.81 0.23 0.00 0.00 176.35 177.39 1pui n PRO 80 N 0.91 2.54 -1.69 1.29 -0.04 -1.25 -4.73 135.00 132.03 1pui n PRO 80 Ca 0.00 0.91 -0.41 0.00 -0.04 0.00 0.00 63.50 63.97 1pui n PRO 80 Cb 0.48 -2.71 0.01 0.00 -0.04 0.00 0.00 33.50 31.25 1pui n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pui n GLY 81 N 3.16 0.43 3.94 0.55 0.00 -1.26 -4.84 105.19 107.16 1pui n GLY 81 Ca 0.14 0.19 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 1pui n GLY 81 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pui s TYR 82 N -1.21 1.98 0.00 1.61 -0.85 -1.22 -4.82 117.35 112.84 1pui s TYR 82 Ca 0.61 -0.67 0.00 0.00 -0.52 0.00 0.00 57.07 56.49 1pui s TYR 82 Cb -0.52 -2.10 0.00 0.00 0.38 0.00 0.00 41.96 39.72 1pui s TYR 82 CO 0.58 -0.54 0.00 0.54 -1.52 0.00 0.00 175.55 174.61 1pui n ARG 93 N -1.83 0.00 0.05 -3.49 1.74 -1.26 -4.14 116.66 107.74 1pui n ARG 93 Ca 0.05 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.10 1pui n ARG 93 Cb 0.62 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.27 1pui n ARG 93 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1pui h LYS 94 N 0.00 0.37 0.00 5.56 1.57 -2.05 -2.38 116.57 119.64 1pui h LYS 94 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1pui h LYS 94 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1pui h LYS 94 CO 0.00 0.68 0.00 1.87 -0.57 0.00 0.00 179.45 181.43 1pui n TRP 95 N -4.06 0.00 0.04 -1.35 -0.00 -1.26 -2.04 117.44 108.76 1pui n TRP 95 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 57.50 57.27 1pui n TRP 95 Cb 0.45 -0.02 -0.14 0.00 -0.00 0.00 0.00 31.31 31.60 1pui n TRP 95 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 177.69 179.65 1pui h GLN 96 N 0.00 0.31 0.00 5.87 4.20 -1.86 -2.39 115.11 121.25 1pui h GLN 96 Ca 0.00 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.18 1pui h GLN 96 Cb 0.02 0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.00 1pui h GLN 96 CO 0.00 1.25 -0.09 2.89 -0.67 0.00 0.00 178.83 182.22 1pui n ARG 97 N -3.89 0.23 0.08 1.46 1.85 -1.13 -1.06 116.66 114.20 1pui n ARG 97 Ca -0.22 0.17 -0.10 0.00 -1.00 0.00 0.00 57.85 56.70 1pui n ARG 97 Cb 0.93 -1.75 -0.09 0.00 -1.05 0.00 0.00 32.46 30.50 1pui n ARG 97 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pui h ALA 98 N 2.59 0.33 0.15 2.89 0.00 -1.45 -0.20 119.26 123.56 1pui h ALA 98 Ca 0.00 -0.85 -0.32 0.00 0.00 0.00 0.00 54.91 53.74 1pui h ALA 98 Cb 0.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1pui h ALA 98 CO 0.00 1.08 -1.59 1.25 0.00 0.00 0.00 179.25 179.99 1pui h LEU 99 N 0.05 0.51 -1.25 0.00 6.46 -1.25 -2.29 115.31 117.53 1pui h LEU 99 Ca -0.05 -0.70 -0.08 0.00 -0.12 0.00 0.00 57.88 56.93 1pui h LEU 99 Cb 1.75 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 41.51 1pui h LEU 99 CO 0.15 1.58 -0.37 1.23 -0.62 0.00 0.00 178.44 180.41 1pui h GLY 100 N 1.22 0.00 0.91 3.75 0.00 -1.13 -0.01 103.07 107.82 1pui h GLY 100 Ca -0.27 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.90 1pui h GLY 100 CO 0.18 0.00 -0.53 -2.09 0.00 0.00 0.00 176.54 174.10 1pui h GLU 101 N 0.00 0.56 -0.44 4.80 4.81 -1.06 -2.49 114.58 120.75 1pui h GLU 101 Ca -0.00 -0.45 0.02 0.00 -0.13 0.00 0.00 59.36 58.80 1pui h GLU 101 Cb 0.67 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 1pui h GLU 101 CO 0.05 1.07 0.26 -0.92 -0.73 0.00 0.00 179.01 178.74 1pui h TYR 102 N 0.18 0.49 0.00 0.92 3.20 -0.94 0.47 116.97 121.29 1pui h TYR 102 Ca -0.03 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1pui h TYR 102 Cb 1.17 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1pui h TYR 102 CO 0.11 0.29 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.62 1pui h LEU 103 N 0.53 0.00 0.04 2.82 3.38 -1.00 -1.96 115.31 119.11 1pui h LEU 103 Ca 0.18 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.79 1pui h LEU 103 Cb 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1pui h LEU 103 CO -0.08 0.22 -2.00 -1.84 0.09 0.00 0.00 178.44 174.83 1pui n GLU 104 N -3.80 0.64 -0.03 1.13 0.28 -0.88 -4.66 120.64 113.32 1pui n GLU 104 Ca -0.02 0.33 -0.13 0.00 -0.16 0.00 0.00 57.16 57.19 1pui n GLU 104 Cb 0.32 -1.63 -0.11 0.00 1.43 0.00 0.00 31.44 31.45 1pui n GLU 104 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1pui h LYS 105 N -0.50 -0.02 -5.94 3.44 1.79 -0.15 -3.44 116.57 111.74 1pui h LYS 105 Ca -0.50 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.32 1pui h LYS 105 Cb 1.70 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.34 1pui h LYS 105 CO -0.15 0.70 1.44 -2.13 -1.08 0.00 0.00 179.45 178.23 1pui n ARG 106 N -4.74 1.12 0.12 3.15 3.00 -0.74 -4.81 116.66 113.75 1pui n ARG 106 Ca -0.09 0.29 0.12 0.00 -0.00 0.00 0.00 57.85 58.17 1pui n ARG 106 Cb 0.36 -2.54 0.03 0.00 0.00 0.00 0.00 32.46 30.31 1pui n ARG 106 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 1pui h GLN 107 N 12.90 0.00 -0.00 -0.14 4.20 -1.87 -3.30 115.11 126.89 1pui h GLN 107 Ca -0.27 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.44 1pui h GLN 107 Cb 1.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.09 1pui h GLN 107 CO 1.03 0.00 -0.01 -1.13 -0.67 0.00 0.00 178.83 178.05 1pui n SER 108 N -2.72 0.04 -4.63 1.46 3.41 -1.26 -4.80 113.62 105.11 1pui n SER 108 Ca 0.01 0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.20 1pui n SER 108 Cb 0.54 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1pui n SER 108 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pui s LEU 109 N -2.69 3.94 -0.09 1.04 2.96 -1.24 0.92 118.68 123.52 1pui s LEU 109 Ca 0.24 1.73 0.20 0.00 -0.22 0.00 0.00 54.13 56.09 1pui s LEU 109 Cb 0.20 -3.53 -0.30 0.00 0.50 0.00 0.00 46.19 43.05 1pui s LEU 109 CO 0.49 -1.25 0.33 1.67 -1.32 0.00 0.00 176.35 176.27 1pui n GLN 110 N 7.64 0.68 -3.60 1.98 -0.06 0.26 -4.88 117.38 119.40 1pui n GLN 110 Ca 0.19 -0.13 -0.07 0.00 -2.00 0.00 0.00 57.00 54.99 1pui n GLN 110 Cb 0.45 -1.52 -0.02 0.00 -4.06 0.00 0.00 30.24 25.09 1pui n GLN 110 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1pui s GLY 111 N -4.86 -0.38 -0.06 1.69 0.00 -1.22 -4.19 107.32 98.30 1pui s GLY 111 Ca -0.09 0.59 0.02 0.00 0.00 0.00 0.00 44.72 45.25 1pui s GLY 111 CO 0.87 0.18 -0.12 -2.27 0.00 0.00 0.00 173.10 171.76 1pui s LEU 112 N -2.69 1.66 -0.27 0.66 2.96 -0.52 -1.60 118.68 118.88 1pui s LEU 112 Ca 0.07 -0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 1pui s LEU 112 Cb -0.01 -0.83 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 1pui s LEU 112 CO -0.05 0.04 0.08 -0.69 -1.32 0.00 0.00 176.35 174.41 1pui s VAL 113 N 0.63 4.20 -0.27 1.68 1.01 0.97 -1.00 120.40 127.62 1pui s VAL 113 Ca -0.14 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1pui s VAL 113 Cb -0.16 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1pui s VAL 113 CO 0.04 0.21 0.11 -0.69 0.00 0.00 0.00 175.10 174.77 1pui s VAL 114 N 1.57 4.49 -0.16 2.92 1.01 0.13 -0.64 120.40 129.71 1pui s VAL 114 Ca 0.05 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 61.71 1pui s VAL 114 Cb -0.16 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1pui s VAL 114 CO 0.03 0.24 0.13 -0.76 0.00 0.00 0.00 175.10 174.73 1pui s LEU 115 N 1.62 4.24 -0.14 3.92 1.02 -0.33 -0.75 118.68 128.27 1pui s LEU 115 Ca 0.06 0.31 -0.08 0.00 0.02 0.00 0.00 54.13 54.44 1pui s LEU 115 Cb -0.16 -2.07 0.05 0.00 0.02 0.00 0.00 46.19 44.03 1pui s LEU 115 CO 0.05 0.27 0.33 0.00 0.02 0.00 0.00 176.35 177.03 1pui s MET 116 N -0.21 0.31 0.16 1.70 0.23 -0.48 -4.28 119.30 116.73 1pui s MET 116 Ca 0.11 0.63 -0.34 0.00 -1.03 0.00 0.00 55.69 55.06 1pui s MET 116 Cb -0.11 -0.03 -0.14 0.00 -1.53 0.00 0.00 34.83 33.01 1pui s MET 116 CO 0.01 -0.14 1.57 -3.47 -2.03 0.00 0.00 175.02 170.95 1pui n ASP 117 N 4.05 3.04 0.26 -1.18 2.03 -1.26 -1.46 116.55 122.02 1pui n ASP 117 Ca -0.23 1.08 0.16 0.00 0.52 0.00 0.00 54.79 56.33 1pui n ASP 117 Cb 0.55 -1.42 0.89 0.00 -0.72 0.00 0.00 41.12 40.42 1pui n ASP 117 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1pui h ILE 118 N 3.60 0.46 0.00 5.18 2.10 -1.46 -1.32 117.51 126.07 1pui h ILE 118 Ca -0.45 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.49 1pui h ILE 118 Cb 1.26 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 37.90 1pui h ILE 118 CO 0.88 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 178.49 1pui n ARG 119 N -3.76 0.13 -3.41 2.19 1.74 -1.26 -4.86 116.66 107.44 1pui n ARG 119 Ca -0.01 0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 1pui n ARG 119 Cb 0.20 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.09 1pui n ARG 119 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1pui s HIS 120 N -2.87 3.43 0.59 -1.55 3.76 -0.50 -5.09 115.29 113.06 1pui s HIS 120 Ca 0.18 0.86 -0.09 0.00 -0.15 0.00 0.00 55.06 55.86 1pui s HIS 120 Cb 0.19 -2.25 -0.03 0.00 1.11 0.00 0.00 32.58 31.60 1pui s HIS 120 CO 0.50 0.26 0.96 -1.25 -0.85 0.00 0.00 174.74 174.36 1pui s PRO 121 N -2.86 3.40 -0.78 8.40 0.04 -1.26 -4.88 135.00 137.05 1pui s PRO 121 Ca 0.47 0.48 -0.24 0.00 0.04 0.00 0.00 61.00 61.76 1pui s PRO 121 Cb -0.11 -2.17 -0.17 0.00 0.04 0.00 0.00 34.50 32.09 1pui s PRO 121 CO 0.22 -0.56 2.42 1.28 0.04 0.00 0.00 177.00 180.40 1pui n LEU 122 N -2.65 1.01 -4.75 -3.56 4.77 -1.26 -4.86 117.00 105.71 1pui n LEU 122 Ca 0.05 -0.68 -0.41 0.00 -0.03 0.00 0.00 56.01 54.93 1pui n LEU 122 Cb 0.55 -1.27 -0.03 0.00 -2.33 0.00 0.00 43.42 40.34 1pui n LEU 122 CO 0.56 -1.71 0.98 -0.75 -1.33 0.00 0.00 177.39 175.15 1pui s LYS 123 N 8.37 4.39 0.19 3.23 2.20 -1.26 -4.92 119.74 131.93 1pui s LYS 123 Ca 1.11 2.10 -0.12 0.00 -0.36 0.00 0.00 55.97 58.70 1pui s LYS 123 Cb -0.51 -3.15 0.18 0.00 -1.51 0.00 0.00 37.83 32.83 1pui s LYS 123 CO 0.31 -0.22 1.77 -0.44 -0.36 0.00 0.00 175.35 176.41 1pui h ASP 124 N 4.76 0.33 -0.06 1.43 3.32 -1.99 -0.71 116.42 123.49 1pui h ASP 124 Ca -0.46 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 1pui h ASP 124 Cb 1.22 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 1pui h ASP 124 CO 0.74 0.22 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.31 1pui h LEU 125 N 0.48 0.32 -0.49 1.55 3.38 -2.00 -1.31 115.31 117.24 1pui h LEU 125 Ca 0.25 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 1pui h LEU 125 Cb 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1pui h LEU 125 CO -0.20 0.46 -0.47 0.44 0.09 0.00 0.00 178.44 178.76 1pui h ASP 126 N 0.32 0.77 -0.22 -0.43 3.45 -1.74 -2.63 116.42 115.94 1pui h ASP 126 Ca 0.07 -0.38 -0.13 0.00 0.43 0.00 0.00 57.03 57.02 1pui h ASP 126 Cb 0.38 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 1pui h ASP 126 CO 0.02 1.12 -0.33 1.56 -1.57 0.00 0.00 179.24 180.04 1pui h GLN 127 N 0.57 0.74 -0.53 3.56 4.20 -0.64 -2.72 115.11 120.28 1pui h GLN 127 Ca 0.03 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.35 1pui h GLN 127 Cb 1.02 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 1pui h GLN 127 CO 0.10 0.96 0.14 1.96 -0.67 0.00 0.00 178.83 181.31 1pui h GLN 128 N 0.62 0.84 -0.05 1.46 4.20 -1.21 0.86 115.11 121.83 1pui h GLN 128 Ca 0.07 -0.20 0.04 0.00 0.06 0.00 0.00 58.65 58.62 1pui h GLN 128 Cb 0.85 -0.11 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 1pui h GLN 128 CO 0.07 0.79 -0.27 0.52 -0.67 0.00 0.00 178.83 179.28 1pui h MET 129 N 0.73 -0.37 -0.51 1.46 2.86 -1.35 0.75 114.93 118.51 1pui h MET 129 Ca 0.17 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1pui h MET 129 Cb 0.32 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1pui h MET 129 CO -0.00 -0.25 0.33 0.82 1.06 0.00 0.00 176.91 178.87 1pui h ILE 130 N -0.38 1.10 -0.20 -1.22 2.04 -1.32 -0.38 117.51 117.16 1pui h ILE 130 Ca 0.08 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.72 1pui h ILE 130 Cb 0.49 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1pui h ILE 130 CO -0.26 0.12 0.10 -0.08 0.00 0.00 0.00 178.15 178.03 1pui h GLU 131 N 0.66 0.22 -0.64 2.37 4.81 -0.02 0.59 114.58 122.56 1pui h GLU 131 Ca 0.19 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1pui h GLU 131 Cb -0.05 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1pui h GLU 131 CO -0.06 0.14 0.35 -1.49 -0.73 0.00 0.00 179.01 177.23 1pui h TRP 132 N 0.22 0.88 -0.58 0.92 6.55 0.81 -0.37 115.95 124.38 1pui h TRP 132 Ca 0.08 -0.02 -0.01 0.00 0.95 0.00 0.00 58.89 59.89 1pui h TRP 132 Cb 0.01 -0.28 -0.03 0.00 -0.86 0.00 0.00 29.16 28.00 1pui h TRP 132 CO -0.09 0.63 0.32 0.00 -1.05 0.00 0.00 178.44 178.26 1pui h ALA 133 N 1.17 0.74 -0.10 1.49 0.00 -0.75 -1.91 119.26 119.90 1pui h ALA 133 Ca 0.23 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1pui h ALA 133 Cb 0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1pui h ALA 133 CO -0.04 0.24 0.05 0.28 0.00 0.00 0.00 179.25 179.79 1pui h VAL 134 N 0.78 1.10 0.00 0.00 2.07 -0.50 0.25 116.25 119.95 1pui h VAL 134 Ca 0.20 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1pui h VAL 134 Cb 0.03 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1pui h VAL 134 CO -0.03 0.09 -0.01 0.44 0.02 0.00 0.00 177.57 178.07 1pui h ASP 135 N 0.05 0.00 -0.59 0.57 3.32 -0.86 -0.24 116.42 118.67 1pui h ASP 135 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1pui h ASP 135 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1pui h ASP 135 CO -0.00 0.01 0.00 -1.20 -1.72 0.00 0.00 179.24 176.33 1pui n SER 136 N -3.25 5.08 -2.61 6.45 7.64 -0.74 -4.92 113.62 121.28 1pui n SER 136 Ca -0.02 -2.66 -0.20 0.00 1.01 0.00 0.00 58.87 57.00 1pui n SER 136 Cb 0.12 -0.63 0.02 0.00 -1.01 0.00 0.00 64.21 62.72 1pui n SER 136 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1pui n ASN 137 N 0.86 -5.69 -4.56 6.43 5.15 -0.10 -4.97 115.26 112.38 1pui n ASN 137 Ca 0.26 -0.20 -0.35 0.00 -0.60 0.00 0.00 54.58 53.69 1pui n ASN 137 Cb 1.01 -4.57 -0.11 0.00 -0.53 0.00 0.00 39.78 35.58 1pui n ASN 137 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1pui s ILE 138 N -3.08 4.53 0.50 -1.44 1.01 0.82 -5.01 121.20 118.52 1pui s ILE 138 Ca 0.21 -0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.52 1pui s ILE 138 Cb -0.09 -3.06 -0.06 0.00 0.01 0.00 0.00 42.46 39.26 1pui s ILE 138 CO 0.26 0.42 1.21 0.00 0.00 0.00 0.00 174.94 176.83 1pui s ALA 139 N 0.79 2.88 -0.01 9.38 0.00 -1.26 -4.01 121.76 129.52 1pui s ALA 139 Ca 0.03 1.03 0.05 0.00 0.00 0.00 0.00 51.96 53.07 1pui s ALA 139 Cb -0.14 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1pui s ALA 139 CO 0.02 -0.88 -0.16 0.08 0.00 0.00 0.00 175.76 174.82 1pui s VAL 140 N -1.51 1.29 -0.19 0.00 1.01 0.19 -1.43 120.40 119.76 1pui s VAL 140 Ca 0.67 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1pui s VAL 140 Cb -0.31 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.03 1pui s VAL 140 CO 0.37 0.35 -0.10 -0.22 0.00 0.00 0.00 175.10 175.50 1pui s LEU 141 N -0.42 2.16 -0.22 3.92 2.96 -0.17 -0.27 118.68 126.64 1pui s LEU 141 Ca 0.06 -0.84 -0.14 0.00 -0.22 0.00 0.00 54.13 53.00 1pui s LEU 141 Cb -0.06 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 1pui s LEU 141 CO -0.01 -0.15 0.30 -0.69 -1.32 0.00 0.00 176.35 174.49 1pui s VAL 142 N 1.43 5.26 -0.21 1.68 1.01 0.26 -0.70 120.40 129.13 1pui s VAL 142 Ca -0.01 0.50 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 1pui s VAL 142 Cb -0.16 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1pui s VAL 142 CO -0.08 0.29 -0.06 -0.76 0.00 0.00 0.00 175.10 174.48 1pui s LEU 143 N 1.20 2.81 -0.69 3.92 1.43 0.07 -0.54 118.68 126.88 1pui s LEU 143 Ca 0.14 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.62 1pui s LEU 143 Cb -0.14 -1.71 0.09 0.00 0.03 0.00 0.00 46.19 44.47 1pui s LEU 143 CO 0.06 -0.01 0.92 -0.76 0.23 0.00 0.00 176.35 176.80 1pui s LEU 144 N 1.40 4.82 0.82 1.79 1.43 0.15 -1.38 118.68 127.71 1pui s LEU 144 Ca 0.05 -1.33 -0.12 0.00 -1.03 0.00 0.00 54.13 51.70 1pui s LEU 144 Cb -0.14 -2.38 0.08 0.00 0.03 0.00 0.00 46.19 43.78 1pui s LEU 144 CO -0.04 -1.27 1.13 0.42 0.23 0.00 0.00 176.35 176.82 1pui s THR 145 N 3.38 2.55 -1.49 5.49 -4.23 -0.54 0.34 115.64 121.14 1pui s THR 145 Ca 0.21 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.87 1pui s THR 145 Cb -0.17 -3.03 0.01 0.00 1.34 0.00 0.00 72.50 70.66 1pui s THR 145 CO 0.05 -0.23 0.31 0.29 -0.54 0.00 0.00 174.62 174.50 1pui n LYS 146 N -3.44 -3.31 0.33 3.99 4.76 -0.83 -1.36 118.16 118.31 1pui n LYS 146 Ca 0.07 0.81 0.21 0.00 -2.87 0.00 0.00 58.31 56.54 1pui n LYS 146 Cb 0.58 -5.55 1.14 0.00 -1.84 0.00 0.00 35.03 29.36 1pui n LYS 146 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pui h ALA 147 N 1.00 1.12 0.00 7.82 0.00 -1.38 -0.34 119.26 127.48 1pui h ALA 147 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1pui h ALA 147 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1pui h ALA 147 CO 0.53 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 1pui n ASP 148 N -3.19 0.54 -0.02 0.00 5.75 -1.26 -3.07 116.55 115.31 1pui n ASP 148 Ca -0.03 0.59 0.16 0.00 -0.01 0.00 0.00 54.79 55.50 1pui n ASP 148 Cb 0.11 -0.72 0.91 0.00 -1.03 0.00 0.00 41.12 40.38 1pui n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1pui n LYS 149 N -2.05 0.95 -4.64 0.11 4.76 -0.14 -4.75 118.16 112.40 1pui n LYS 149 Ca 0.04 -0.04 -0.22 0.00 -2.87 0.00 0.00 58.31 55.23 1pui n LYS 149 Cb 0.31 -1.50 -0.15 0.00 -1.84 0.00 0.00 35.03 31.85 1pui n LYS 149 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pui s LEU 150 N -2.08 2.02 0.65 -0.35 1.43 -1.18 -5.11 118.68 114.08 1pui s LEU 150 Ca 0.45 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 53.12 1pui s LEU 150 Cb 0.22 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.71 1pui s LEU 150 CO 0.38 0.17 1.28 0.00 0.23 0.00 0.00 176.35 178.42 1pui s ALA 151 N -0.32 2.35 0.33 4.21 0.00 -1.26 -4.58 121.76 122.50 1pui s ALA 151 Ca 0.05 1.18 0.13 0.00 0.00 0.00 0.00 51.96 53.32 1pui s ALA 151 Cb -0.05 -3.54 1.07 0.00 0.00 0.00 0.00 23.12 20.60 1pui s ALA 151 CO -0.01 -1.61 1.52 0.45 0.00 0.00 0.00 175.76 176.11 1pui n SER 152 N -1.98 0.16 0.39 0.00 2.88 -1.26 -0.65 113.62 113.16 1pui n SER 152 Ca 0.16 1.61 -0.16 0.00 -1.33 0.00 0.00 58.87 59.15 1pui n SER 152 Cb 0.48 -0.71 -0.07 0.00 -0.75 0.00 0.00 64.21 63.16 1pui n SER 152 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1pui h GLY 153 N 0.00 -1.06 1.97 0.46 0.00 -1.99 -0.10 103.07 102.35 1pui h GLY 153 Ca 0.72 0.39 0.00 0.00 0.00 0.00 0.00 47.33 48.45 1pui h GLY 153 CO -0.81 -0.38 0.01 0.00 0.00 0.00 0.00 176.54 175.36 1pui h ALA 154 N -1.38 1.66 0.36 3.60 0.00 -1.64 -1.61 119.26 120.25 1pui h ALA 154 Ca -0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1pui h ALA 154 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1pui h ALA 154 CO 0.17 -0.02 -0.17 -0.09 0.00 0.00 0.00 179.25 179.14 1pui h ARG 155 N 0.00 -0.46 -0.80 0.00 2.43 -0.73 -2.45 114.38 112.36 1pui h ARG 155 Ca 0.01 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.34 1pui h ARG 155 Cb 0.03 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 1pui h ARG 155 CO -0.00 -0.17 0.53 -0.22 -1.51 0.00 0.00 179.97 178.60 1pui h LYS 156 N -1.00 0.56 -0.06 0.20 3.64 -0.64 -1.81 116.57 117.46 1pui h LYS 156 Ca -0.05 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1pui h LYS 156 Cb 0.51 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1pui h LYS 156 CO 0.08 0.37 0.00 0.00 -2.27 0.00 0.00 179.45 177.63 1pui h ALA 157 N 1.62 0.08 -0.93 5.00 0.00 -1.31 -2.55 119.26 121.17 1pui h ALA 157 Ca 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1pui h ALA 157 Cb 0.71 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1pui h ALA 157 CO -0.15 -0.25 0.59 0.37 0.00 0.00 0.00 179.25 179.81 1pui h GLN 158 N -0.17 1.24 -0.79 0.00 5.75 -0.88 -1.57 115.11 118.70 1pui h GLN 158 Ca 0.02 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1pui h GLN 158 Cb 0.33 -0.27 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 1pui h GLN 158 CO 0.00 0.85 0.52 1.25 -2.65 0.00 0.00 178.83 178.80 1pui h LEU 159 N 1.27 0.91 -0.59 -2.39 5.85 -1.28 -2.20 115.31 116.88 1pui h LEU 159 Ca 0.34 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.90 1pui h LEU 159 Cb -0.10 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1pui h LEU 159 CO -0.07 0.66 -0.24 0.78 -0.34 0.00 0.00 178.44 179.23 1pui h ASN 160 N 1.07 0.89 -0.35 1.25 -0.26 -0.88 -1.28 115.58 116.02 1pui h ASN 160 Ca 0.29 -0.34 -0.02 0.00 -0.56 0.00 0.00 56.30 55.66 1pui h ASN 160 Cb -0.12 -0.25 -0.02 0.00 -1.06 0.00 0.00 38.32 36.88 1pui h ASN 160 CO -0.06 1.09 0.13 -0.03 -1.06 0.00 0.00 177.43 177.49 1pui h MET 161 N 0.75 0.54 -0.47 0.81 4.05 -0.90 -1.09 114.93 118.62 1pui h MET 161 Ca 0.09 -0.11 -0.09 0.00 -0.28 0.00 0.00 59.70 59.32 1pui h MET 161 Cb 0.79 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.49 1pui h MET 161 CO 0.07 0.55 -0.05 0.28 0.23 0.00 0.00 176.91 177.98 1pui h VAL 162 N 0.42 1.27 -0.77 -5.77 2.07 -1.34 -0.77 116.25 111.35 1pui h VAL 162 Ca 0.12 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.44 1pui h VAL 162 Cb 0.22 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1pui h VAL 162 CO -0.01 0.40 0.32 0.03 0.02 0.00 0.00 177.57 178.33 1pui h ARG 163 N 0.70 1.15 -0.50 1.57 3.08 -1.11 0.37 114.38 119.64 1pui h ARG 163 Ca 0.13 -0.20 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 1pui h ARG 163 Cb 0.58 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1pui h ARG 163 CO 0.03 0.93 -0.12 0.93 -1.07 0.00 0.00 179.97 180.68 1pui h GLU 164 N 1.12 0.97 -0.43 0.04 4.39 -1.05 -3.06 114.58 116.55 1pui h GLU 164 Ca 0.26 -0.37 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 1pui h GLU 164 Cb 0.20 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1pui h GLU 164 CO -0.02 1.04 -0.11 0.00 -1.16 0.00 0.00 179.01 178.76 1pui h ALA 165 N 0.90 1.00 0.00 3.43 0.00 -0.81 -2.77 119.26 121.01 1pui h ALA 165 Ca 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1pui h ALA 165 Cb 0.68 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pui h ALA 165 CO 0.05 0.60 -0.04 0.28 0.00 0.00 0.00 179.25 180.14 1pui h VAL 166 N 0.70 0.67 0.00 0.00 2.07 -0.83 -1.69 116.25 117.16 1pui h VAL 166 Ca 0.12 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1pui h VAL 166 Cb 0.59 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1pui h VAL 166 CO 0.04 0.04 0.00 0.18 0.02 0.00 0.00 177.57 177.85 1pui n LEU 167 N -3.96 0.00 -0.70 2.57 4.77 -1.04 -2.23 117.00 116.41 1pui n LEU 167 Ca -0.03 0.22 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 1pui n LEU 167 Cb 0.13 -0.22 0.35 0.00 -2.33 0.00 0.00 43.42 41.35 1pui n LEU 167 CO 0.30 -0.14 0.76 0.00 -1.33 0.00 0.00 177.39 176.98 1pui n ALA 168 N -1.22 2.51 0.53 -1.18 0.00 -0.64 -3.99 120.51 116.53 1pui n ALA 168 Ca 0.06 -0.61 0.08 0.00 0.00 0.00 0.00 53.44 52.97 1pui n ALA 168 Cb 0.08 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.38 1pui n ALA 168 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pui n PHE 169 N 0.63 0.00 -3.80 0.00 3.01 -0.95 -5.02 117.46 111.33 1pui n PHE 169 Ca 0.17 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.36 1pui n PHE 169 Cb 0.42 -0.13 0.01 0.00 -0.01 0.00 0.00 39.48 39.77 1pui n PHE 169 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1pui n ASN 170 N -1.63 -2.37 -0.18 4.37 5.15 -1.26 -4.97 115.26 114.38 1pui n ASN 170 Ca 0.01 -0.98 0.00 0.00 -0.60 0.00 0.00 54.58 53.02 1pui n ASN 170 Cb 0.32 -3.37 0.00 0.00 -0.53 0.00 0.00 39.78 36.21 1pui n ASN 170 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pui n GLY 171 N -1.79 5.35 3.18 8.20 0.00 -1.26 -5.08 105.19 113.79 1pui n GLY 171 Ca -0.23 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 1pui n GLY 171 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pui n ASP 172 N -0.42 4.92 -4.22 1.61 2.03 -1.26 -5.02 116.55 114.19 1pui n ASP 172 Ca 0.00 -3.12 -0.34 0.00 0.52 0.00 0.00 54.79 51.84 1pui n ASP 172 Cb 0.00 -1.20 -0.15 0.00 -0.72 0.00 0.00 41.12 39.06 1pui n ASP 172 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1pui s VAL 173 N -1.48 2.88 -0.11 5.18 1.01 -1.26 -0.64 120.40 125.98 1pui s VAL 173 Ca 0.30 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 1pui s VAL 173 Cb -0.07 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 1pui s VAL 173 CO -0.09 0.35 0.04 -1.58 0.00 0.00 0.00 175.10 173.82 1pui s GLN 174 N 1.37 3.23 -0.08 2.72 0.74 0.63 -4.98 119.66 123.29 1pui s GLN 174 Ca 0.03 -0.35 0.04 0.00 0.05 0.00 0.00 55.36 55.14 1pui s GLN 174 Cb -0.15 -2.93 -0.00 0.00 1.10 0.00 0.00 33.01 31.03 1pui s GLN 174 CO -0.06 0.65 -0.22 0.08 -0.55 0.00 0.00 175.29 175.19 1pui s VAL 175 N -0.71 1.84 0.04 1.34 1.01 -1.26 0.89 120.40 123.54 1pui s VAL 175 Ca 0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1pui s VAL 175 Cb -0.12 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1pui s VAL 175 CO 0.02 0.51 0.03 -1.61 0.00 0.00 0.00 175.10 174.06 1pui s GLU 176 N 0.22 0.53 0.41 2.72 0.41 0.30 -4.96 118.70 118.32 1pui s GLU 176 Ca -0.13 -0.85 -0.12 0.00 -0.41 0.00 0.00 54.97 53.46 1pui s GLU 176 Cb -0.16 0.19 -0.07 0.00 -1.78 0.00 0.00 34.13 32.32 1pui s GLU 176 CO 0.06 -0.11 0.80 0.95 -0.49 0.00 0.00 175.26 176.47 1pui s THR 177 N -2.70 4.73 0.00 3.63 -4.23 -1.26 -0.67 115.64 115.13 1pui s THR 177 Ca -0.04 0.77 -0.00 0.00 -1.18 0.00 0.00 61.69 61.23 1pui s THR 177 Cb -0.01 -3.71 -0.00 0.00 1.34 0.00 0.00 72.50 70.12 1pui s THR 177 CO -0.05 -0.50 -0.00 0.12 -0.54 0.00 0.00 174.62 173.65 1pui s PHE 178 N -2.35 0.05 -0.16 3.99 5.36 0.15 -4.05 117.98 120.97 1pui s PHE 178 Ca 0.53 -0.10 -0.04 0.00 -0.96 0.00 0.00 56.93 56.36 1pui s PHE 178 Cb -0.10 -0.04 0.08 0.00 -0.34 0.00 0.00 43.02 42.62 1pui s PHE 178 CO 0.29 -0.04 0.20 0.45 -1.46 0.00 0.00 175.22 174.66 1pui s SER 179 N -0.31 1.15 0.07 6.13 0.15 -0.27 -1.47 113.70 119.15 1pui s SER 179 Ca -0.03 -0.00 -0.14 0.00 0.70 0.00 0.00 55.95 56.47 1pui s SER 179 Cb -0.02 0.36 -0.26 0.00 -1.71 0.00 0.00 66.02 64.39 1pui s SER 179 CO -0.00 -0.30 1.15 0.28 1.20 0.00 0.00 173.24 175.57 1pui h SER 180 N 8.33 0.91 -0.13 5.45 0.02 -1.94 -3.15 113.55 123.03 1pui h SER 180 Ca -0.16 -0.77 0.03 0.00 -0.84 0.00 0.00 61.79 60.05 1pui h SER 180 Cb 1.14 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 1pui h SER 180 CO 0.23 1.58 -0.04 0.25 -1.14 0.00 0.00 176.83 177.70 1pui h LEU 181 N 0.35 -0.15 0.00 5.07 5.85 -1.97 -3.42 115.31 121.04 1pui h LEU 181 Ca -0.16 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1pui h LEU 181 Cb 1.80 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.92 1pui h LEU 181 CO 0.22 -0.06 0.00 0.29 -0.34 0.00 0.00 178.44 178.55 1pui n LYS 182 N -5.17 3.17 -2.24 1.25 5.02 -1.24 -5.02 118.16 113.92 1pui n LYS 182 Ca -0.04 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.22 1pui n LYS 182 Cb 0.10 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.16 1pui n LYS 182 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1pui n LYS 183 N 0.00 1.76 -3.33 1.97 4.76 -1.24 -4.90 118.16 117.18 1pui n LYS 183 Ca 0.00 -3.33 -0.38 0.00 -2.87 0.00 0.00 58.31 51.73 1pui n LYS 183 Cb 0.00 -1.43 -0.06 0.00 -1.84 0.00 0.00 35.03 31.70 1pui n LYS 183 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1pui s GLN 184 N -2.98 4.30 0.00 1.97 0.74 -1.19 -4.05 119.66 118.45 1pui s GLN 184 Ca 0.34 0.46 0.00 0.00 0.05 0.00 0.00 55.36 56.21 1pui s GLN 184 Cb 0.36 -3.41 0.00 0.00 1.10 0.00 0.00 33.01 31.06 1pui s GLN 184 CO -0.05 0.22 0.00 0.41 -0.55 0.00 0.00 175.29 175.32 1pui n GLY 185 N 3.08 2.43 0.07 2.59 0.00 -1.26 -1.11 105.19 110.99 1pui n GLY 185 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1pui n GLY 185 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pui h VAL 186 N 0.00 1.04 -0.10 1.61 2.07 -1.89 0.28 116.25 119.26 1pui h VAL 186 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1pui h VAL 186 Cb 0.00 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1pui h VAL 186 CO 0.00 0.04 0.06 -0.78 0.02 0.00 0.00 177.57 176.91 1pui h ASP 187 N 0.10 0.10 -0.32 0.57 -0.00 -1.90 -1.67 116.42 113.29 1pui h ASP 187 Ca 0.03 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.03 1pui h ASP 187 Cb 0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 39.30 1pui h ASP 187 CO -0.01 0.07 0.11 0.11 -0.00 0.00 0.00 179.24 179.53 1pui h LYS 188 N 0.13 0.56 -0.21 0.28 1.57 -1.93 -1.12 116.57 115.85 1pui h LYS 188 Ca 0.04 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 1pui h LYS 188 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1pui h LYS 188 CO -0.02 0.51 -0.04 1.25 -0.57 0.00 0.00 179.45 180.58 1pui h LEU 189 N 0.56 0.40 -0.85 2.94 5.85 -0.63 -1.68 115.31 121.90 1pui h LEU 189 Ca 0.13 -0.36 -0.07 0.00 0.84 0.00 0.00 57.88 58.42 1pui h LEU 189 Cb 0.19 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1pui h LEU 189 CO -0.01 0.66 0.06 -0.09 -0.34 0.00 0.00 178.44 178.72 1pui h ARG 190 N 0.13 0.92 -0.23 1.25 2.43 -1.00 -1.99 114.38 115.89 1pui h ARG 190 Ca 0.05 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 58.90 1pui h ARG 190 Cb 0.48 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1pui h ARG 190 CO 0.02 0.87 -0.23 1.96 -1.51 0.00 0.00 179.97 181.08 1pui h GLN 191 N 0.86 0.42 -0.46 0.20 4.20 -1.14 -1.42 115.11 117.77 1pui h GLN 191 Ca 0.17 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 1pui h GLN 191 Cb 0.43 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1pui h GLN 191 CO 0.01 0.63 -0.25 -0.22 -0.67 0.00 0.00 178.83 178.34 1pui h LYS 192 N 0.38 0.99 -0.52 1.46 1.63 -0.86 -2.77 116.57 116.88 1pui h LYS 192 Ca 0.06 -0.44 -0.08 0.00 -0.85 0.00 0.00 60.65 59.34 1pui h LYS 192 Cb 0.61 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1pui h LYS 192 CO 0.04 1.12 0.02 -0.07 -3.45 0.00 0.00 179.45 177.10 1pui h LEU 193 N 0.84 0.89 -0.73 5.20 3.38 -1.00 -2.05 115.31 121.83 1pui h LEU 193 Ca 0.10 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1pui h LEU 193 Cb 0.83 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.30 1pui h LEU 193 CO 0.07 0.97 0.47 0.44 0.09 0.00 0.00 178.44 180.48 1pui h ASP 194 N 0.78 0.79 -0.50 -0.43 3.32 -1.23 0.18 116.42 119.33 1pui h ASP 194 Ca 0.15 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1pui h ASP 194 Cb 0.50 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1pui h ASP 194 CO 0.02 0.56 0.07 0.74 -1.72 0.00 0.00 179.24 178.91 1pui h THR 195 N 0.94 1.24 0.00 0.35 2.02 -1.31 -1.97 112.91 114.19 1pui h THR 195 Ca 0.28 -0.96 -0.21 0.00 0.77 0.00 0.00 66.41 66.29 1pui h THR 195 Cb -0.04 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1pui h THR 195 CO -0.09 0.35 -0.92 -0.50 0.37 0.00 0.00 175.52 174.74 1pui h TRP 196 N 0.85 0.47 0.00 3.16 6.55 -0.76 -3.16 115.95 123.05 1pui h TRP 196 Ca 0.17 -0.26 0.00 0.00 0.95 0.00 0.00 58.89 59.76 1pui h TRP 196 Cb 0.40 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.65 1pui h TRP 196 CO 0.02 1.07 0.00 1.19 -1.05 0.00 0.00 178.44 179.68 1pui n PHE 197 N -3.70 0.00 -2.61 0.49 0.99 0.58 -4.69 117.46 108.52 1pui n PHE 197 Ca -0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.98 1pui n PHE 197 Cb 0.83 -0.39 -0.03 0.00 -1.00 0.00 0.00 39.48 38.88 1pui n PHE 197 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.76 175.64 1pui s SER 198 N -2.78 6.17 0.00 4.37 0.01 -0.75 -5.03 113.70 115.68 1pui s SER 198 Ca 0.20 -0.55 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1pui s SER 198 Cb 0.18 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1pui s SER 198 CO 0.46 -1.76 0.00 -0.62 0.41 0.00 0.00 173.24 171.74