#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtm s PHE 41 N 0.00 3.16 0.00 0.00 0.40 -1.26 -4.60 117.98 115.68 1xtm s PHE 41 Ca 0.00 1.61 0.00 0.00 -0.60 0.00 0.00 56.93 57.94 1xtm s PHE 41 Cb 0.00 -3.02 0.00 0.00 0.51 0.00 0.00 43.02 40.51 1xtm s PHE 41 CO 0.00 -0.57 0.00 0.41 0.70 0.00 0.00 175.22 175.76 1xtm n GLY 42 N -0.17 2.38 4.06 4.36 0.00 -0.39 -4.88 105.19 110.54 1xtm n GLY 42 Ca 0.07 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 1xtm n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xtm n HIS 43 N 0.00 -1.48 -1.64 1.61 8.25 -1.26 0.40 115.22 121.10 1xtm n HIS 43 Ca 0.00 0.35 -0.49 0.00 -0.26 0.00 0.00 57.72 57.32 1xtm n HIS 43 Cb 0.00 -3.03 -0.05 0.00 1.12 0.00 0.00 29.99 28.03 1xtm n HIS 43 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1xtm n HIS 44 N -4.72 1.96 -4.90 4.41 -0.00 -1.26 -4.44 115.22 106.27 1xtm n HIS 44 Ca -0.19 0.41 -0.32 0.00 0.46 0.00 0.00 57.72 58.09 1xtm n HIS 44 Cb 0.62 -2.46 -0.17 0.00 -0.12 0.00 0.00 29.99 27.86 1xtm n HIS 44 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1xtm s VAL 45 N 1.20 2.00 0.13 3.57 1.01 0.75 -5.00 120.40 124.06 1xtm s VAL 45 Ca 0.84 -0.96 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1xtm s VAL 45 Cb -0.82 -1.75 -0.07 0.00 0.00 0.00 0.00 36.38 33.74 1xtm s VAL 45 CO 0.45 0.54 0.68 -1.58 0.00 0.00 0.00 175.10 175.19 1xtm s GLN 46 N 0.61 4.37 -0.15 2.72 0.74 -1.26 -0.50 119.66 126.19 1xtm s GLN 46 Ca -0.13 0.93 -0.10 0.00 0.05 0.00 0.00 55.36 56.11 1xtm s GLN 46 Cb -0.17 -3.20 -0.05 0.00 1.10 0.00 0.00 33.01 30.69 1xtm s GLN 46 CO 0.03 0.58 0.20 -0.51 -0.55 0.00 0.00 175.29 175.04 1xtm s LEU 47 N -1.24 4.30 0.01 3.68 1.43 -0.59 -4.43 118.68 121.83 1xtm s LEU 47 Ca 0.34 0.44 0.05 0.00 -1.03 0.00 0.00 54.13 53.92 1xtm s LEU 47 Cb -0.21 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 1xtm s LEU 47 CO 0.22 0.24 -0.15 0.68 0.23 0.00 0.00 176.35 177.58 1xtm s VAL 48 N -0.17 1.20 0.60 -1.59 -7.23 -0.69 -1.75 120.40 110.78 1xtm s VAL 48 Ca 0.14 -0.78 -0.06 0.00 -1.81 0.00 0.00 61.98 59.47 1xtm s VAL 48 Cb -0.12 -1.03 0.13 0.00 0.56 0.00 0.00 36.38 35.92 1xtm s VAL 48 CO 0.03 0.24 0.81 -0.46 -0.31 0.00 0.00 175.10 175.41 1xtm n ASN 49 N 2.43 0.47 -0.39 4.85 0.23 -0.83 -1.20 115.26 120.82 1xtm n ASN 49 Ca -0.15 -1.54 0.31 0.00 -0.53 0.00 0.00 54.58 52.66 1xtm n ASN 49 Cb 0.55 -0.59 0.60 0.00 -2.08 0.00 0.00 39.78 38.26 1xtm n ASN 49 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1xtm h ARG 50 N 0.00 0.20 -0.56 -3.83 3.08 -1.78 -0.43 114.38 111.06 1xtm h ARG 50 Ca -0.27 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1xtm h ARG 50 Cb 0.83 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1xtm h ARG 50 CO 0.23 0.13 0.00 0.39 -1.07 0.00 0.00 179.97 179.65 1xtm n GLU 51 N -4.61 2.37 -1.18 0.04 4.71 -1.26 -4.60 120.64 116.12 1xtm n GLU 51 Ca 0.31 -2.12 -0.06 0.00 -0.01 0.00 0.00 57.16 55.28 1xtm n GLU 51 Cb 1.19 -1.47 -0.03 0.00 -1.01 0.00 0.00 31.44 30.12 1xtm n GLU 51 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xtm n GLY 52 N 1.45 0.81 3.74 0.62 0.00 -0.17 -5.00 105.19 106.64 1xtm n GLY 52 Ca 0.20 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1xtm n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xtm s LYS 53 N -2.12 4.73 0.11 1.61 2.20 -1.26 -4.81 119.74 120.20 1xtm s LYS 53 Ca 0.00 1.58 -0.31 0.00 -0.36 0.00 0.00 55.97 56.88 1xtm s LYS 53 Cb 0.00 -3.29 -0.09 0.00 -1.51 0.00 0.00 37.83 32.94 1xtm s LYS 53 CO 0.00 0.31 1.63 0.00 -0.36 0.00 0.00 175.35 176.93 1xtm s ALA 54 N -0.71 3.73 -0.08 3.13 0.00 -1.26 -1.96 121.76 124.61 1xtm s ALA 54 Ca 0.45 1.30 0.15 0.00 0.00 0.00 0.00 51.96 53.85 1xtm s ALA 54 Cb -0.27 -3.67 0.30 0.00 0.00 0.00 0.00 23.12 19.48 1xtm s ALA 54 CO 0.34 -0.98 1.14 1.33 0.00 0.00 0.00 175.76 177.58 1xtm n VAL 55 N 4.42 0.88 0.00 0.00 0.24 -0.71 -4.95 118.33 118.20 1xtm n VAL 55 Ca 0.15 -1.56 0.00 0.00 -2.04 0.00 0.00 64.34 60.90 1xtm n VAL 55 Cb 0.39 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 1xtm n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xtm n GLY 56 N -0.35 0.66 3.66 7.63 0.00 -1.25 -1.10 105.19 114.44 1xtm n GLY 56 Ca 0.10 -1.88 -0.09 0.00 0.00 0.00 0.00 46.02 44.15 1xtm n GLY 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xtm s PHE 57 N -2.21 -0.01 0.04 1.61 -0.71 -0.67 -1.55 117.98 114.47 1xtm s PHE 57 Ca 0.00 -0.38 0.04 0.00 -1.04 0.00 0.00 56.93 55.56 1xtm s PHE 57 Cb 0.00 0.45 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 1xtm s PHE 57 CO 0.00 -1.06 -0.13 0.42 -1.34 0.00 0.00 175.22 173.11 1xtm s ILE 58 N -3.93 1.01 0.10 -4.49 1.01 0.35 -1.78 121.20 113.47 1xtm s ILE 58 Ca 0.14 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.84 1xtm s ILE 58 Cb -0.03 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1xtm s ILE 58 CO 0.04 -0.03 -0.06 -1.61 0.00 0.00 0.00 174.94 173.28 1xtm s GLU 59 N -1.13 0.82 -0.01 2.79 2.02 -0.67 -0.18 118.70 122.36 1xtm s GLU 59 Ca 0.00 -1.33 0.04 0.00 0.02 0.00 0.00 54.97 53.71 1xtm s GLU 59 Cb -0.08 -0.19 -0.01 0.00 0.10 0.00 0.00 34.13 33.95 1xtm s GLU 59 CO 0.01 -0.02 -0.14 0.42 0.02 0.00 0.00 175.26 175.55 1xtm s ILE 60 N -3.62 1.11 -0.10 -1.63 1.01 0.16 -1.40 121.20 116.74 1xtm s ILE 60 Ca 0.11 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1xtm s ILE 60 Cb 0.05 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.61 1xtm s ILE 60 CO -0.05 0.29 -0.15 -0.75 0.00 0.00 0.00 174.94 174.29 1xtm s LYS 61 N -0.39 2.10 -0.34 2.79 2.36 -0.75 -1.26 119.74 124.25 1xtm s LYS 61 Ca 0.05 -0.53 -0.29 0.00 -2.55 0.00 0.00 55.97 52.66 1xtm s LYS 61 Cb -0.06 -1.77 -0.01 0.00 -1.05 0.00 0.00 37.83 34.94 1xtm s LYS 61 CO -0.00 -0.03 1.69 -1.21 1.55 0.00 0.00 175.35 177.34 1xtm s GLU 62 N 0.89 3.44 0.07 4.03 2.02 -1.26 -0.86 118.70 127.04 1xtm s GLU 62 Ca -0.09 1.33 -0.30 0.00 0.02 0.00 0.00 54.97 55.93 1xtm s GLU 62 Cb -0.15 -4.14 -0.05 0.00 0.10 0.00 0.00 34.13 29.89 1xtm s GLU 62 CO 0.00 -1.72 1.06 0.45 0.02 0.00 0.00 175.26 175.07 1xtm s SER 63 N 5.36 7.29 -0.64 -0.19 0.15 0.36 -4.95 113.70 121.08 1xtm s SER 63 Ca 0.75 1.88 -0.17 0.00 0.70 0.00 0.00 55.95 59.10 1xtm s SER 63 Cb -0.21 -2.58 0.13 0.00 -1.71 0.00 0.00 66.02 61.65 1xtm s SER 63 CO 0.33 -0.28 0.69 -1.81 1.20 0.00 0.00 173.24 173.38 1xtm s ASP 64 N 0.61 6.31 -0.12 5.45 1.01 -1.26 -4.29 116.67 124.38 1xtm s ASP 64 Ca 0.52 -1.78 -0.27 0.00 0.71 0.00 0.00 52.55 51.73 1xtm s ASP 64 Cb -0.26 -2.27 0.07 0.00 1.01 0.00 0.00 42.92 41.47 1xtm s ASP 64 CO 0.30 -0.96 0.66 1.51 0.21 0.00 0.00 175.17 176.89 1xtm s ASP 65 N 3.39 -0.65 0.01 0.27 3.84 -1.26 -5.13 116.67 117.14 1xtm s ASP 65 Ca 0.12 0.91 0.00 0.00 -0.00 0.00 0.00 52.55 53.58 1xtm s ASP 65 Cb -0.22 0.82 -0.00 0.00 -1.38 0.00 0.00 42.92 42.14 1xtm s ASP 65 CO 0.02 -0.47 0.00 -1.84 -0.00 0.00 0.00 175.17 172.88 1xtm n GLU 66 N 1.56 1.51 0.00 2.11 0.00 -1.26 -5.08 120.64 119.49 1xtm n GLU 66 Ca -0.17 -0.11 0.00 0.00 0.00 0.00 0.00 57.16 56.87 1xtm n GLU 66 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 31.44 32.05 1xtm n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xtm n GLY 67 N 3.70 0.24 3.42 -1.84 0.00 -1.26 -4.56 105.19 104.88 1xtm n GLY 67 Ca -0.00 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 1xtm n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xtm s LEU 68 N 0.00 2.49 -0.09 0.99 1.43 -1.05 -0.49 118.68 121.96 1xtm s LEU 68 Ca 0.00 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.18 1xtm s LEU 68 Cb 0.00 -1.07 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 1xtm s LEU 68 CO 0.00 0.06 -0.10 -1.81 0.23 0.00 0.00 176.35 174.73 1xtm s ASP 69 N -2.99 4.34 -0.27 2.29 1.01 -0.04 -0.45 116.67 120.57 1xtm s ASP 69 Ca 0.23 -0.17 0.03 0.00 0.71 0.00 0.00 52.55 53.35 1xtm s ASP 69 Cb -0.06 -1.31 0.06 0.00 1.01 0.00 0.00 42.92 42.62 1xtm s ASP 69 CO 0.11 0.27 -0.08 -0.63 0.21 0.00 0.00 175.17 175.05 1xtm s ILE 70 N -0.27 2.24 -0.46 0.77 -1.09 0.30 -1.81 121.20 120.88 1xtm s ILE 70 Ca 0.03 -1.70 -0.26 0.00 -2.23 0.00 0.00 60.65 56.49 1xtm s ILE 70 Cb -0.13 -2.36 0.03 0.00 -1.58 0.00 0.00 42.46 38.42 1xtm s ILE 70 CO 0.03 -0.10 0.94 -2.28 -1.23 0.00 0.00 174.94 172.30 1xtm s HIS 71 N 1.09 2.92 -0.14 3.97 5.65 -0.49 -0.46 115.29 127.83 1xtm s HIS 71 Ca -0.07 0.42 -0.00 0.00 0.25 0.00 0.00 55.06 55.66 1xtm s HIS 71 Cb -0.20 -4.00 -0.01 0.00 -1.18 0.00 0.00 32.58 27.19 1xtm s HIS 71 CO -0.05 -1.11 -0.13 -1.50 -0.65 0.00 0.00 174.74 171.31 1xtm s ILE 72 N 3.80 3.04 -0.27 0.89 2.07 0.27 -1.66 121.20 129.34 1xtm s ILE 72 Ca 0.38 -0.66 -0.02 0.00 -1.41 0.00 0.00 60.65 58.94 1xtm s ILE 72 Cb -0.10 -2.28 0.09 0.00 0.13 0.00 0.00 42.46 40.30 1xtm s ILE 72 CO 0.26 0.52 0.08 -0.55 -1.91 0.00 0.00 174.94 173.34 1xtm s SER 73 N 0.43 3.60 0.23 4.50 0.15 -0.73 -1.24 113.70 120.65 1xtm s SER 73 Ca -0.10 -1.32 0.06 0.00 0.70 0.00 0.00 55.95 55.29 1xtm s SER 73 Cb -0.16 -0.71 -0.05 0.00 -1.71 0.00 0.00 66.02 63.39 1xtm s SER 73 CO 0.05 -0.38 -0.07 0.00 1.20 0.00 0.00 173.24 174.03 1xtm s ALA 74 N 1.76 2.01 0.15 5.45 0.00 0.63 -1.67 121.76 130.09 1xtm s ALA 74 Ca 0.06 -1.75 0.03 0.00 0.00 0.00 0.00 51.96 50.30 1xtm s ALA 74 Cb -0.17 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 1xtm s ALA 74 CO -0.21 -0.08 0.14 0.27 0.00 0.00 0.00 175.76 175.87 1xtm n ASN 75 N -0.44 -0.34 -3.50 0.00 6.94 -0.26 -1.37 115.26 116.29 1xtm n ASN 75 Ca -0.07 -1.98 -0.26 0.00 -0.02 0.00 0.00 54.58 52.26 1xtm n ASN 75 Cb 0.62 0.79 0.03 0.00 -2.36 0.00 0.00 39.78 38.86 1xtm n ASN 75 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1xtm n SER 76 N -2.37 -5.23 -4.76 0.53 7.64 -1.07 -4.88 113.62 103.48 1xtm n SER 76 Ca 0.03 -0.52 -0.22 0.00 1.01 0.00 0.00 58.87 59.17 1xtm n SER 76 Cb 0.27 -4.20 -0.05 0.00 -1.01 0.00 0.00 64.21 59.21 1xtm n SER 76 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xtm s LEU 77 N -6.96 3.55 -0.22 -3.43 1.43 -0.31 -5.05 118.68 107.69 1xtm s LEU 77 Ca 0.50 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.87 1xtm s LEU 77 Cb -0.24 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1xtm s LEU 77 CO 0.61 -0.08 1.89 -0.60 0.23 0.00 0.00 176.35 178.41 1xtm s ARG 78 N -3.80 3.51 0.36 1.70 3.52 -1.26 -4.34 118.95 118.64 1xtm s ARG 78 Ca 0.33 1.83 -0.27 0.00 -0.13 0.00 0.00 55.73 57.49 1xtm s ARG 78 Cb -0.07 -4.20 -0.12 0.00 -1.56 0.00 0.00 34.95 29.01 1xtm s ARG 78 CO 0.23 -1.65 1.29 -2.30 -0.81 0.00 0.00 175.30 172.06 1xtm n PRO 79 N 8.19 2.09 -0.41 5.12 -0.02 -1.26 -1.76 135.00 146.95 1xtm n PRO 79 Ca 0.23 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1xtm n PRO 79 Cb 0.45 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1xtm n PRO 79 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xtm n GLY 80 N 0.77 0.08 3.72 -1.23 0.00 -0.61 -4.96 105.19 102.96 1xtm n GLY 80 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1xtm n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtm s ALA 81 N -1.15 1.93 -0.23 4.61 0.00 -0.72 -4.63 121.76 121.56 1xtm s ALA 81 Ca 0.00 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 1xtm s ALA 81 Cb 0.00 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.71 1xtm s ALA 81 CO 0.00 -2.14 -0.05 0.45 0.00 0.00 0.00 175.76 174.02 1xtm s SER 82 N -2.55 4.25 -0.06 0.00 0.15 -1.26 -0.83 113.70 113.40 1xtm s SER 82 Ca 0.69 -0.61 0.04 0.00 0.70 0.00 0.00 55.95 56.76 1xtm s SER 82 Cb -0.24 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 1xtm s SER 82 CO 0.52 -0.07 -0.17 -0.76 1.20 0.00 0.00 173.24 173.96 1xtm s LEU 83 N 1.41 1.87 0.71 3.45 1.43 0.28 -1.15 118.68 126.68 1xtm s LEU 83 Ca 0.04 -0.38 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 1xtm s LEU 83 Cb -0.15 -1.01 0.03 0.00 0.03 0.00 0.00 46.19 45.09 1xtm s LEU 83 CO -0.04 0.12 1.23 -0.83 0.23 0.00 0.00 176.35 177.05 1xtm s GLY 84 N 0.27 2.46 -0.30 -3.19 0.00 0.43 -0.53 107.32 106.46 1xtm s GLY 84 Ca -0.10 0.96 -0.06 0.00 0.00 0.00 0.00 44.72 45.52 1xtm s GLY 84 CO 0.04 1.37 0.64 -0.12 0.00 0.00 0.00 173.10 175.02 1xtm s PHE 85 N -1.85 -1.45 0.05 1.90 5.36 -1.26 -0.09 117.98 120.64 1xtm s PHE 85 Ca 0.76 2.01 -0.02 0.00 -0.96 0.00 0.00 56.93 58.72 1xtm s PHE 85 Cb -0.31 0.68 -0.03 0.00 -0.34 0.00 0.00 43.02 43.02 1xtm s PHE 85 CO 0.44 -0.76 0.00 -1.01 -1.46 0.00 0.00 175.22 172.43 1xtm s HIS 86 N 2.87 0.44 -0.26 10.12 3.76 -0.13 -3.18 115.29 128.92 1xtm s HIS 86 Ca 0.07 -0.95 -0.21 0.00 -0.15 0.00 0.00 55.06 53.82 1xtm s HIS 86 Cb -0.13 -0.33 -0.01 0.00 1.11 0.00 0.00 32.58 33.22 1xtm s HIS 86 CO -0.20 -0.38 0.67 0.42 -0.85 0.00 0.00 174.74 174.40 1xtm s ILE 87 N -3.67 4.95 0.31 0.60 1.01 0.45 -0.48 121.20 124.36 1xtm s ILE 87 Ca 0.05 1.18 0.05 0.00 0.00 0.00 0.00 60.65 61.93 1xtm s ILE 87 Cb 0.06 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1xtm s ILE 87 CO -0.09 -0.02 0.45 -1.00 0.00 0.00 0.00 174.94 174.29 1xtm s HIS 88 N 2.59 3.29 -1.81 3.97 3.76 0.27 -0.51 115.29 126.85 1xtm s HIS 88 Ca 0.28 -0.05 0.28 0.00 -0.15 0.00 0.00 55.06 55.42 1xtm s HIS 88 Cb -0.15 -1.85 1.08 0.00 1.11 0.00 0.00 32.58 32.76 1xtm s HIS 88 CO 0.09 0.14 1.76 -0.85 -0.85 0.00 0.00 174.74 175.03 1xtm n GLU 89 N -1.61 0.88 -3.99 1.40 0.28 0.11 -1.06 120.64 116.65 1xtm n GLU 89 Ca -0.04 -0.41 -0.30 0.00 -0.16 0.00 0.00 57.16 56.26 1xtm n GLU 89 Cb 0.57 -1.49 -0.16 0.00 1.43 0.00 0.00 31.44 31.79 1xtm n GLU 89 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1xtm s LYS 90 N -2.40 2.07 -0.98 3.44 -0.14 -1.24 -4.57 119.74 115.92 1xtm s LYS 90 Ca 0.29 -0.67 -0.21 0.00 -1.36 0.00 0.00 55.97 54.02 1xtm s LYS 90 Cb 0.20 -2.22 -0.11 0.00 -1.68 0.00 0.00 37.83 34.02 1xtm s LYS 90 CO 0.47 -0.34 1.94 0.41 -0.76 0.00 0.00 175.35 177.06 1xtm n GLY 91 N 4.75 2.25 3.62 -3.33 0.00 -0.65 -3.47 105.19 108.35 1xtm n GLY 91 Ca -0.15 -1.13 -0.04 0.00 0.00 0.00 0.00 46.02 44.69 1xtm n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xtm s SER 92 N 5.25 -0.85 -0.57 1.61 0.15 -1.26 -4.75 113.70 113.28 1xtm s SER 92 Ca 0.60 1.30 0.04 0.00 0.70 0.00 0.00 55.95 58.59 1xtm s SER 92 Cb 0.09 1.56 0.17 0.00 -1.71 0.00 0.00 66.02 66.13 1xtm s SER 92 CO 0.11 -0.20 0.42 0.00 1.20 0.00 0.00 173.24 174.76 1xtm s VAL 94 N -0.74 5.31 0.63 0.00 1.01 -1.25 -4.96 120.40 120.39 1xtm s VAL 94 Ca 0.27 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 62.25 1xtm s VAL 94 Cb -0.03 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1xtm s VAL 94 CO -0.16 0.25 1.26 -0.13 0.00 0.00 0.00 175.10 176.32 1xtm s ARG 95 N 1.72 2.70 0.00 2.72 0.52 -1.26 -1.36 118.95 123.99 1xtm s ARG 95 Ca 0.07 1.98 0.24 0.00 -0.52 0.00 0.00 55.73 57.51 1xtm s ARG 95 Cb -0.16 -1.87 0.38 0.00 0.52 0.00 0.00 34.95 33.82 1xtm s ARG 95 CO 0.11 -1.46 1.33 -0.35 0.02 0.00 0.00 175.30 174.94 1xtm n PRO 96 N -1.80 0.24 -0.00 3.54 -0.04 -1.26 -4.82 135.00 130.86 1xtm n PRO 96 Ca 0.15 -0.16 0.03 0.00 -0.04 0.00 0.00 63.50 63.49 1xtm n PRO 96 Cb 0.49 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 1xtm n PRO 96 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xtm n ASP 97 N -1.24 1.68 -1.22 3.54 5.75 -1.17 -4.59 116.55 119.30 1xtm n ASP 97 Ca 0.07 -0.37 -0.16 0.00 -0.01 0.00 0.00 54.79 54.32 1xtm n ASP 97 Cb 0.34 1.14 -0.07 0.00 -1.03 0.00 0.00 41.12 41.51 1xtm n ASP 97 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1xtm n PHE 98 N -1.42 0.00 0.28 2.11 3.72 -0.46 -4.50 117.46 117.19 1xtm n PHE 98 Ca 0.00 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.55 1xtm n PHE 98 Cb 0.14 -3.12 0.81 0.00 -0.94 0.00 0.00 39.48 36.37 1xtm n PHE 98 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1xtm h GLU 99 N 0.00 0.00 -2.78 -1.08 5.08 -1.87 -3.39 114.58 110.54 1xtm h GLU 99 Ca -0.33 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.31 1xtm h GLU 99 Cb 1.27 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.19 1xtm h GLU 99 CO 0.48 0.00 0.20 0.43 -1.00 0.00 0.00 179.01 179.12 1xtm n SER 100 N -2.69 5.21 0.00 1.42 7.64 -1.26 -4.04 113.62 119.90 1xtm n SER 100 Ca -0.02 -3.36 0.00 0.00 1.01 0.00 0.00 58.87 56.50 1xtm n SER 100 Cb 0.23 -1.05 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 1xtm n SER 100 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xtm n ALA 101 N 1.39 0.00 -1.94 -0.43 0.00 -1.22 -3.94 120.51 114.37 1xtm n ALA 101 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1xtm n ALA 101 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1xtm n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xtm n GLY 102 N 5.00 1.64 0.81 0.00 0.00 -1.26 -4.63 105.19 106.76 1xtm n GLY 102 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1xtm n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xtm n GLY 103 N 5.00 -1.54 3.75 -0.02 0.00 -1.26 -4.79 105.19 106.33 1xtm n GLY 103 Ca 0.00 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 1xtm n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xtm s HIS 104 N 0.00 3.46 -0.20 1.61 3.76 -1.26 0.08 115.29 122.73 1xtm s HIS 104 Ca 0.00 1.54 -0.31 0.00 -0.15 0.00 0.00 55.06 56.14 1xtm s HIS 104 Cb 0.00 -3.39 -0.08 0.00 1.11 0.00 0.00 32.58 30.23 1xtm s HIS 104 CO 0.00 -0.97 2.15 0.34 -0.85 0.00 0.00 174.74 175.41 1xtm n PHE 105 N 1.85 1.99 -3.05 1.40 -0.00 0.33 -4.59 117.46 115.39 1xtm n PHE 105 Ca 0.02 -0.05 -0.15 0.00 -0.00 0.00 0.00 57.45 57.26 1xtm n PHE 105 Cb 0.45 -2.69 -0.01 0.00 -0.00 0.00 0.00 39.48 37.23 1xtm n PHE 105 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1xtm n ASN 106 N 10.20 0.73 0.28 -2.13 5.15 -1.26 -1.20 115.26 127.03 1xtm n ASN 106 Ca 0.30 -2.98 0.14 0.00 -0.60 0.00 0.00 54.58 51.45 1xtm n ASN 106 Cb 0.38 -0.43 0.82 0.00 -0.53 0.00 0.00 39.78 40.02 1xtm n ASN 106 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1xtm h PRO 107 N 2.98 0.00 -0.64 1.20 0.13 -1.89 -2.07 132.00 131.71 1xtm h PRO 107 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1xtm h PRO 107 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1xtm h PRO 107 CO 0.47 0.07 0.00 -0.11 -0.23 0.00 0.00 178.00 178.19 1xtm n LEU 108 N -3.70 3.53 -3.88 1.56 7.94 -1.26 -4.99 117.00 116.20 1xtm n LEU 108 Ca -0.02 -1.74 -0.29 0.00 -1.11 0.00 0.00 56.01 52.85 1xtm n LEU 108 Cb 0.17 -0.42 0.03 0.00 0.53 0.00 0.00 43.42 43.72 1xtm n LEU 108 CO 0.29 0.87 0.07 -3.20 -1.11 0.00 0.00 177.39 174.30 1xtm n ASN 109 N 1.44 -4.01 -4.95 1.96 5.15 -0.78 -5.00 115.26 109.07 1xtm n ASN 109 Ca 0.22 -0.79 -0.20 0.00 -0.60 0.00 0.00 54.58 53.20 1xtm n ASN 109 Cb 0.56 -3.89 0.07 0.00 -0.53 0.00 0.00 39.78 35.99 1xtm n ASN 109 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xtm s LYS 110 N -6.50 2.19 0.75 1.20 1.02 -1.26 -5.12 119.74 112.02 1xtm s LYS 110 Ca 0.53 -1.48 -0.09 0.00 0.02 0.00 0.00 55.97 54.95 1xtm s LYS 110 Cb -0.26 -2.58 0.17 0.00 -0.52 0.00 0.00 37.83 34.63 1xtm s LYS 110 CO 0.83 -0.96 1.02 0.39 -0.92 0.00 0.00 175.35 175.71 1xtm n GLU 111 N -2.36 -0.71 -3.03 1.68 1.02 -0.84 -4.69 120.64 111.70 1xtm n GLU 111 Ca 0.15 -1.91 -0.40 0.00 -0.02 0.00 0.00 57.16 54.99 1xtm n GLU 111 Cb 0.61 -0.94 -0.05 0.00 -0.02 0.00 0.00 31.44 31.03 1xtm n GLU 111 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1xtm s HIS 112 N -3.13 3.78 0.00 -0.32 5.65 -1.26 -2.20 115.29 117.80 1xtm s HIS 112 Ca 0.60 1.46 0.00 0.00 0.25 0.00 0.00 55.06 57.38 1xtm s HIS 112 Cb -0.02 -2.76 0.00 0.00 -1.18 0.00 0.00 32.58 28.62 1xtm s HIS 112 CO 0.42 0.36 0.00 0.41 -0.65 0.00 0.00 174.74 175.28 1xtm n GLY 113 N 2.16 3.61 0.35 1.59 0.00 -1.26 -4.34 105.19 107.30 1xtm n GLY 113 Ca -0.04 -1.33 0.06 0.00 0.00 0.00 0.00 46.02 44.70 1xtm n GLY 113 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xtm h PHE 114 N 0.00 1.06 -0.43 1.61 0.05 -1.82 -2.53 116.94 114.88 1xtm h PHE 114 Ca 0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.82 1xtm h PHE 114 Cb 0.00 -0.33 0.00 0.00 2.00 0.00 0.00 35.95 37.62 1xtm h PHE 114 CO 0.00 0.42 0.00 0.09 -0.18 0.00 0.00 178.31 178.64 1xtm n ASN 115 N -4.65 2.62 -4.63 2.17 3.02 -0.03 -4.82 115.26 108.93 1xtm n ASN 115 Ca 0.17 -1.95 -0.39 0.00 -0.03 0.00 0.00 54.58 52.38 1xtm n ASN 115 Cb 0.33 -0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 39.14 1xtm n ASN 115 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1xtm s ASN 116 N -1.16 6.41 0.51 6.41 3.84 -0.96 -4.92 114.94 125.07 1xtm s ASN 116 Ca 0.34 0.49 0.22 0.00 0.21 0.00 0.00 52.86 54.12 1xtm s ASN 116 Cb 0.18 -2.26 1.34 0.00 -0.55 0.00 0.00 41.25 39.96 1xtm s ASN 116 CO 0.25 -0.21 2.08 -0.65 -2.79 0.00 0.00 177.10 175.78 1xtm h PRO 117 N 7.84 0.00 -0.18 0.43 0.11 -1.87 -1.23 132.00 137.10 1xtm h PRO 117 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1xtm h PRO 117 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xtm h PRO 117 CO 0.70 0.12 0.00 -1.33 -0.21 0.00 0.00 178.00 177.28 1xtm n MET 118 N -3.98 1.87 0.00 1.05 2.81 -1.26 -4.92 117.12 112.69 1xtm n MET 118 Ca -0.02 -1.30 0.00 0.00 -1.81 0.00 0.00 57.70 54.56 1xtm n MET 118 Cb 0.21 -1.42 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 1xtm n MET 118 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xtm n GLY 119 N 1.20 2.73 3.69 3.03 0.00 -0.46 -1.99 105.19 113.38 1xtm n GLY 119 Ca 0.17 -0.87 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 1xtm n GLY 119 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1xtm n HIS 120 N 0.00 2.31 -1.72 1.61 1.44 -1.16 -4.56 115.22 113.15 1xtm n HIS 120 Ca 0.00 0.41 -0.42 0.00 -2.01 0.00 0.00 57.72 55.69 1xtm n HIS 120 Cb 0.00 -2.48 -0.03 0.00 0.12 0.00 0.00 29.99 27.60 1xtm n HIS 120 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 1xtm n HIS 121 N 1.81 2.74 -0.08 -1.40 8.25 -0.94 -4.72 115.22 120.87 1xtm n HIS 121 Ca 0.10 0.07 0.26 0.00 -0.26 0.00 0.00 57.72 57.89 1xtm n HIS 121 Cb 0.33 -2.66 0.71 0.00 1.12 0.00 0.00 29.99 29.49 1xtm n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xtm h ALA 122 N 6.54 2.58 -0.17 -1.41 0.00 -1.79 -0.33 119.26 124.68 1xtm h ALA 122 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xtm h ALA 122 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xtm h ALA 122 CO 0.94 -1.01 0.00 0.41 0.00 0.00 0.00 179.25 179.59 1xtm n GLY 123 N -1.62 0.15 3.69 0.00 0.00 -0.34 -4.62 105.19 102.43 1xtm n GLY 123 Ca 0.15 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1xtm n GLY 123 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xtm s ASP 124 N -1.48 7.19 0.30 1.61 -0.00 -0.14 -0.42 116.67 123.73 1xtm s ASP 124 Ca 0.30 1.64 0.11 0.00 -0.00 0.00 0.00 52.55 54.59 1xtm s ASP 124 Cb 0.16 -2.56 -0.05 0.00 -0.00 0.00 0.00 42.92 40.47 1xtm s ASP 124 CO 0.24 -0.48 -0.13 -0.76 -0.00 0.00 0.00 175.17 174.03 1xtm s LEU 125 N 2.02 2.75 0.76 1.23 1.43 -1.19 -4.98 118.68 120.69 1xtm s LEU 125 Ca 0.51 -1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 52.47 1xtm s LEU 125 Cb -0.21 -1.20 0.06 0.00 0.03 0.00 0.00 46.19 44.87 1xtm s LEU 125 CO 0.20 -0.04 1.18 -2.84 0.23 0.00 0.00 176.35 175.08 1xtm s PRO 126 N -3.57 2.02 0.43 1.29 0.02 -1.26 -4.62 135.00 129.30 1xtm s PRO 126 Ca 0.31 1.65 -0.25 0.00 0.02 0.00 0.00 61.00 62.72 1xtm s PRO 126 Cb -0.03 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 1xtm s PRO 126 CO 0.16 -1.90 1.27 0.09 -0.33 0.00 0.00 177.00 176.29 1xtm n ASN 127 N -3.01 2.56 -4.78 2.53 5.03 -1.26 -4.52 115.26 111.81 1xtm n ASN 127 Ca 0.13 1.10 -0.39 0.00 0.87 0.00 0.00 54.58 56.28 1xtm n ASN 127 Cb 0.51 -1.50 -0.06 0.00 -1.02 0.00 0.00 39.78 37.71 1xtm n ASN 127 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xtm s LEU 128 N -1.77 4.56 -0.30 3.41 1.43 0.31 -4.82 118.68 121.49 1xtm s LEU 128 Ca 0.61 1.51 -0.11 0.00 -1.03 0.00 0.00 54.13 55.11 1xtm s LEU 128 Cb -0.50 -3.18 -0.04 0.00 0.03 0.00 0.00 46.19 42.51 1xtm s LEU 128 CO 0.58 0.20 0.20 -1.61 0.23 0.00 0.00 176.35 175.94 1xtm s GLU 129 N -0.97 3.74 0.03 1.70 8.01 -1.26 -0.56 118.70 129.39 1xtm s GLU 129 Ca 0.34 -0.46 -0.25 0.00 0.01 0.00 0.00 54.97 54.61 1xtm s GLU 129 Cb -0.22 -3.69 -0.05 0.00 -4.31 0.00 0.00 34.13 25.86 1xtm s GLU 129 CO 0.24 -0.28 0.76 0.08 0.01 0.00 0.00 175.26 176.06 1xtm s VAL 130 N 1.73 4.77 1.25 2.63 1.01 -0.01 -4.72 120.40 127.06 1xtm s VAL 130 Ca 0.07 1.61 -0.21 0.00 0.00 0.00 0.00 61.98 63.45 1xtm s VAL 130 Cb -0.16 -4.11 0.32 0.00 0.00 0.00 0.00 36.38 32.43 1xtm s VAL 130 CO 0.10 0.35 0.78 0.61 0.00 0.00 0.00 175.10 176.94 1xtm n GLY 131 N 2.47 -3.78 0.24 4.51 0.00 -0.08 -2.20 105.19 106.35 1xtm n GLY 131 Ca -0.02 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 1xtm n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtm h ALA 132 N -3.33 -0.55 0.00 4.61 0.00 -1.95 -1.59 119.26 116.45 1xtm h ALA 132 Ca -0.34 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1xtm h ALA 132 Cb 1.14 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1xtm h ALA 132 CO 0.21 -0.68 0.00 -0.25 0.00 0.00 0.00 179.25 178.52 1xtm n ASP 133 N -5.23 0.00 0.00 0.00 10.43 -1.26 -4.57 116.55 115.92 1xtm n ASP 133 Ca -0.10 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.26 1xtm n ASP 133 Cb 0.28 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.24 1xtm n ASP 133 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xtm n GLY 134 N 0.00 0.74 3.49 0.44 0.00 -1.16 -4.83 105.19 103.86 1xtm n GLY 134 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1xtm n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xtm s LYS 135 N -0.40 1.78 -0.02 1.61 1.02 -1.26 -1.16 119.74 121.31 1xtm s LYS 135 Ca 0.00 -1.20 0.03 0.00 0.02 0.00 0.00 55.97 54.83 1xtm s LYS 135 Cb 0.00 -2.10 -0.00 0.00 -0.52 0.00 0.00 37.83 35.20 1xtm s LYS 135 CO 0.00 0.47 -0.12 0.54 -0.92 0.00 0.00 175.35 175.32 1xtm s VAL 136 N -1.19 1.00 -0.40 3.17 0.11 -0.47 -0.91 120.40 121.72 1xtm s VAL 136 Ca 0.18 -0.50 0.04 0.00 -2.93 0.00 0.00 61.98 58.77 1xtm s VAL 136 Cb -0.10 -0.86 0.16 0.00 -1.53 0.00 0.00 36.38 34.05 1xtm s VAL 136 CO 0.10 0.30 0.44 -0.62 -3.33 0.00 0.00 175.10 171.98 1xtm s ASP 137 N -0.01 0.63 0.14 3.54 -1.08 -1.25 -0.27 116.67 118.37 1xtm s ASP 137 Ca -0.00 -1.70 -0.03 0.00 -0.52 0.00 0.00 52.55 50.29 1xtm s ASP 137 Cb -0.08 0.73 -0.03 0.00 -1.46 0.00 0.00 42.92 42.08 1xtm s ASP 137 CO 0.00 -0.22 0.12 0.68 0.52 0.00 0.00 175.17 176.28 1xtm s VAL 138 N 1.24 0.09 -0.18 1.11 -7.23 -0.37 -5.00 120.40 110.06 1xtm s VAL 138 Ca 0.20 -1.77 -0.00 0.00 -1.81 0.00 0.00 61.98 58.60 1xtm s VAL 138 Cb -0.11 -2.00 0.01 0.00 0.56 0.00 0.00 36.38 34.84 1xtm s VAL 138 CO -0.05 -0.41 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.55 1xtm s ILE 139 N -4.03 2.54 0.01 -0.62 1.09 -1.26 -0.57 121.20 118.36 1xtm s ILE 139 Ca 0.23 -0.79 0.02 0.00 -1.10 0.00 0.00 60.65 59.01 1xtm s ILE 139 Cb 0.06 -2.09 -0.04 0.00 -1.06 0.00 0.00 42.46 39.34 1xtm s ILE 139 CO 0.02 0.50 -0.01 -0.04 -0.10 0.00 0.00 174.94 175.31 1xtm s MET 140 N 1.19 2.74 -0.20 2.79 -1.94 0.39 -4.91 119.30 119.35 1xtm s MET 140 Ca 0.02 -0.64 -0.17 0.00 -1.71 0.00 0.00 55.69 53.19 1xtm s MET 140 Cb -0.14 -2.64 -0.04 0.00 2.01 0.00 0.00 34.83 34.02 1xtm s MET 140 CO -0.07 0.62 0.43 1.21 -0.01 0.00 0.00 175.02 177.20 1xtm s ASN 141 N -1.59 6.47 -0.89 3.03 3.84 -1.26 0.11 114.94 124.65 1xtm s ASN 141 Ca 0.20 0.55 -0.11 0.00 0.21 0.00 0.00 52.86 53.71 1xtm s ASN 141 Cb -0.11 -2.25 0.23 0.00 -0.55 0.00 0.00 41.25 38.57 1xtm s ASN 141 CO 0.10 -0.11 0.84 0.00 -2.79 0.00 0.00 177.10 175.14 1xtm s ALA 142 N 1.43 4.23 0.07 1.71 0.00 0.41 -4.96 121.76 124.65 1xtm s ALA 142 Ca 0.20 -3.50 0.32 0.00 0.00 0.00 0.00 51.96 48.99 1xtm s ALA 142 Cb -0.15 -3.42 1.54 0.00 0.00 0.00 0.00 23.12 21.09 1xtm s ALA 142 CO 0.09 -2.24 1.97 -1.00 0.00 0.00 0.00 175.76 174.58 1xtm h PRO 143 N 7.30 0.00 -0.63 0.00 0.13 -1.80 -2.72 132.00 134.27 1xtm h PRO 143 Ca 0.12 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.85 1xtm h PRO 143 Cb 0.97 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.86 1xtm h PRO 143 CO 0.82 0.00 -0.02 -0.25 -0.23 0.00 0.00 178.00 178.32 1xtm n ASP 144 N -2.75 4.21 -4.45 1.44 8.00 -1.26 -4.16 116.55 117.57 1xtm n ASP 144 Ca -0.00 -3.77 -0.22 0.00 0.71 0.00 0.00 54.79 51.51 1xtm n ASP 144 Cb 0.18 -0.65 -0.11 0.00 -0.02 0.00 0.00 41.12 40.52 1xtm n ASP 144 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xtm s THR 145 N -3.91 1.23 0.21 -3.53 -4.23 -1.08 -4.81 115.64 99.52 1xtm s THR 145 Ca 0.51 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.79 1xtm s THR 145 Cb 0.43 -2.77 0.05 0.00 1.34 0.00 0.00 72.50 71.55 1xtm s THR 145 CO 0.01 -0.02 0.70 -0.55 -0.54 0.00 0.00 174.62 174.22 1xtm s SER 146 N -3.49 -0.37 0.00 3.99 0.15 -0.83 -4.06 113.70 109.09 1xtm s SER 146 Ca 0.36 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.67 1xtm s SER 146 Cb 0.09 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 1xtm s SER 146 CO 0.15 -1.14 0.03 0.18 1.20 0.00 0.00 173.24 173.66 1xtm n LEU 147 N -0.42 0.06 -4.73 3.45 4.77 -1.26 0.13 117.00 119.00 1xtm n LEU 147 Ca -0.09 -0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 55.00 1xtm n LEU 147 Cb 0.61 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 1xtm n LEU 147 CO 0.14 0.01 1.24 -0.54 -1.33 0.00 0.00 177.39 176.91 1xtm s LYS 148 N -0.83 4.19 0.50 3.23 -0.14 -1.26 -4.77 119.74 120.66 1xtm s LYS 148 Ca 0.00 2.44 -0.22 0.00 -1.36 0.00 0.00 55.97 56.82 1xtm s LYS 148 Cb 0.00 -3.11 -0.06 0.00 -1.68 0.00 0.00 37.83 32.98 1xtm s LYS 148 CO 0.00 -0.61 1.27 0.15 -0.76 0.00 0.00 175.35 175.40 1xtm s LYS 149 N 0.70 3.43 0.00 1.68 -0.14 -1.26 -2.60 119.74 121.55 1xtm s LYS 149 Ca 0.69 2.03 0.00 0.00 -1.36 0.00 0.00 55.97 57.33 1xtm s LYS 149 Cb -0.45 -2.33 0.00 0.00 -1.68 0.00 0.00 37.83 33.36 1xtm s LYS 149 CO 0.35 -0.89 0.00 0.41 -0.76 0.00 0.00 175.35 174.46 1xtm n GLY 150 N 0.60 0.71 3.76 -3.33 0.00 -1.26 -5.00 105.19 100.66 1xtm n GLY 150 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 1xtm n GLY 150 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xtm s SER 151 N -2.70 7.28 0.21 1.61 0.15 -1.07 -4.96 113.70 114.23 1xtm s SER 151 Ca 0.00 1.53 0.07 0.00 0.70 0.00 0.00 55.95 58.25 1xtm s SER 151 Cb 0.00 -2.48 0.15 0.00 -1.71 0.00 0.00 66.02 61.98 1xtm s SER 151 CO 0.00 0.09 1.49 0.07 1.20 0.00 0.00 173.24 176.09 1xtm h LYS 152 N 5.13 0.07 0.00 5.44 2.10 -1.95 -2.92 116.57 124.44 1xtm h LYS 152 Ca -0.45 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1xtm h LYS 152 Cb 1.21 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 1xtm h LYS 152 CO 0.69 0.78 0.00 1.28 -2.00 0.00 0.00 179.45 180.20 1xtm n LEU 153 N -3.69 0.62 -4.48 7.07 4.77 -1.26 -4.81 117.00 115.22 1xtm n LEU 153 Ca -0.02 0.58 -0.60 0.00 -0.03 0.00 0.00 56.01 55.95 1xtm n LEU 153 Cb 0.72 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1xtm n LEU 153 CO 0.45 -0.23 1.55 -3.20 -1.33 0.00 0.00 177.39 174.62 1xtm n ASN 154 N -2.10 1.39 0.00 -1.43 5.15 -1.11 -1.97 115.26 115.20 1xtm n ASN 154 Ca 0.05 0.81 0.11 0.00 -0.60 0.00 0.00 54.58 54.95 1xtm n ASN 154 Cb 0.36 -1.00 0.08 0.00 -0.53 0.00 0.00 39.78 38.69 1xtm n ASN 154 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1xtm n ILE 155 N 5.75 0.01 -3.31 -1.44 -5.35 0.12 -4.62 119.36 110.51 1xtm n ILE 155 Ca 0.42 -0.01 -0.39 0.00 -0.27 0.00 0.00 62.75 62.50 1xtm n ILE 155 Cb 0.03 0.57 -0.08 0.00 -1.74 0.00 0.00 39.64 38.43 1xtm n ILE 155 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1xtm s LEU 156 N -3.04 4.11 0.00 7.28 0.20 -1.24 -3.17 118.68 122.81 1xtm s LEU 156 Ca 0.09 0.52 -0.05 0.00 0.69 0.00 0.00 54.13 55.39 1xtm s LEU 156 Cb 0.17 -2.59 0.02 0.00 -0.43 0.00 0.00 46.19 43.35 1xtm s LEU 156 CO 0.78 -0.18 0.26 -0.90 -0.29 0.00 0.00 176.35 176.02 1xtm n ASP 157 N 4.97 -0.55 -0.22 3.68 5.75 -1.26 -4.91 116.55 124.01 1xtm n ASP 157 Ca -0.06 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.39 1xtm n ASP 157 Cb 0.50 0.90 0.08 0.00 -1.03 0.00 0.00 41.12 41.57 1xtm n ASP 157 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1xtm h GLU 158 N 0.00 0.01 0.00 0.11 4.57 -1.96 -2.75 114.58 114.56 1xtm h GLU 158 Ca -0.08 -0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.01 1xtm h GLU 158 Cb 0.34 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1xtm h GLU 158 CO 0.11 0.01 -0.42 0.22 -1.18 0.00 0.00 179.01 177.74 1xtm h ASP 159 N 0.01 0.00 -3.85 1.04 -0.00 -1.96 -3.49 116.42 108.17 1xtm h ASP 159 Ca 0.32 0.00 0.09 0.00 -0.00 0.00 0.00 57.03 57.44 1xtm h ASP 159 Cb 0.50 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 39.80 1xtm h ASP 159 CO -0.66 0.42 -0.17 0.61 -0.00 0.00 0.00 179.24 179.44 1xtm n GLY 160 N 1.18 -1.80 3.38 -0.78 0.00 -1.04 -1.64 105.19 104.48 1xtm n GLY 160 Ca 0.02 -1.42 -0.19 0.00 0.00 0.00 0.00 46.02 44.43 1xtm n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xtm s SER 161 N -4.49 2.37 -0.04 1.61 0.01 -0.97 -2.06 113.70 110.13 1xtm s SER 161 Ca 0.00 -1.18 0.03 0.00 1.31 0.00 0.00 55.95 56.11 1xtm s SER 161 Cb 0.00 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1xtm s SER 161 CO 0.00 -0.39 -0.12 0.00 0.41 0.00 0.00 173.24 173.14 1xtm s ALA 162 N -3.17 1.18 -0.28 1.44 0.00 -0.23 -0.99 121.76 119.71 1xtm s ALA 162 Ca 0.28 -0.46 -0.23 0.00 0.00 0.00 0.00 51.96 51.55 1xtm s ALA 162 Cb 0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1xtm s ALA 162 CO 0.10 0.18 0.75 -0.06 0.00 0.00 0.00 175.76 176.72 1xtm s PHE 163 N 0.28 3.24 -0.07 0.00 0.08 0.13 0.97 117.98 122.60 1xtm s PHE 163 Ca -0.06 0.85 0.05 0.00 0.12 0.00 0.00 56.93 57.88 1xtm s PHE 163 Cb -0.12 -3.08 -0.01 0.00 -0.57 0.00 0.00 43.02 39.24 1xtm s PHE 163 CO 0.02 -0.48 -0.23 0.42 -0.10 0.00 0.00 175.22 174.85 1xtm s ILE 164 N 2.80 2.20 -0.22 0.64 1.09 0.36 -1.43 121.20 126.64 1xtm s ILE 164 Ca 0.31 -1.00 -0.09 0.00 -1.10 0.00 0.00 60.65 58.76 1xtm s ILE 164 Cb -0.15 -1.82 -0.05 0.00 -1.06 0.00 0.00 42.46 39.39 1xtm s ILE 164 CO 0.11 0.57 0.13 -0.63 -0.10 0.00 0.00 174.94 175.01 1xtm s ILE 165 N -0.03 5.13 0.47 2.92 1.01 -0.67 -0.95 121.20 129.08 1xtm s ILE 165 Ca -0.07 0.10 0.07 0.00 0.00 0.00 0.00 60.65 60.75 1xtm s ILE 165 Cb -0.15 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 38.98 1xtm s ILE 165 CO 0.05 0.38 0.64 -1.00 0.00 0.00 0.00 174.94 175.01 1xtm s HIS 166 N 0.88 2.51 -0.02 3.97 3.76 0.87 -0.95 115.29 126.31 1xtm s HIS 166 Ca 0.06 -0.43 0.11 0.00 -0.15 0.00 0.00 55.06 54.66 1xtm s HIS 166 Cb -0.13 -2.40 -0.12 0.00 1.11 0.00 0.00 32.58 31.04 1xtm s HIS 166 CO 0.03 -0.64 1.19 1.05 -0.85 0.00 0.00 174.74 175.52 1xtm h GLU 167 N 0.47 0.00 -5.42 1.40 4.11 -0.72 -3.34 114.58 111.09 1xtm h GLU 167 Ca -0.38 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.40 1xtm h GLU 167 Cb 1.28 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.40 1xtm h GLU 167 CO 0.45 0.70 -0.56 -0.65 0.07 0.00 0.00 179.01 179.01 1xtm s GLN 168 N -2.80 2.06 0.38 1.06 -0.21 0.13 -4.91 119.66 115.38 1xtm s GLN 168 Ca 0.01 -2.24 -0.25 0.00 0.02 0.00 0.00 55.36 52.89 1xtm s GLN 168 Cb 0.09 -1.53 -0.09 0.00 1.00 0.00 0.00 33.01 32.48 1xtm s GLN 168 CO 0.80 -0.21 1.13 0.00 -2.12 0.00 0.00 175.29 174.89 1xtm s ALA 169 N -2.82 3.17 0.24 6.09 0.00 -0.30 -0.42 121.76 127.72 1xtm s ALA 169 Ca 0.21 0.89 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 1xtm s ALA 169 Cb 0.06 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 1xtm s ALA 169 CO 0.11 -0.40 0.96 0.34 0.00 0.00 0.00 175.76 176.77 1xtm s ASP 170 N -1.21 7.60 0.00 0.00 -1.08 -1.26 -4.27 116.67 116.45 1xtm s ASP 170 Ca 0.56 1.98 0.20 0.00 -0.52 0.00 0.00 52.55 54.77 1xtm s ASP 170 Cb -0.29 -2.61 0.55 0.00 -1.46 0.00 0.00 42.92 39.11 1xtm s ASP 170 CO 0.36 0.12 1.46 -0.90 0.52 0.00 0.00 175.17 176.73 1xtm n ASP 171 N 1.49 3.29 -1.77 -0.34 5.68 -0.65 -4.95 116.55 119.29 1xtm n ASP 171 Ca -0.02 -1.98 -0.14 0.00 -0.50 0.00 0.00 54.79 52.15 1xtm n ASP 171 Cb 0.47 -0.38 -0.04 0.00 -1.14 0.00 0.00 41.12 40.03 1xtm n ASP 171 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1xtm n TYR 172 N 1.31 -0.66 0.05 2.11 0.53 -1.26 -4.62 117.16 114.62 1xtm n TYR 172 Ca 0.21 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.09 1xtm n TYR 172 Cb 0.53 -2.83 0.00 0.00 -1.03 0.00 0.00 39.34 36.01 1xtm n TYR 172 CO 0.00 0.00 0.00 -0.11 -1.02 0.00 0.00 176.86 175.73 1xtm n LEU 173 N -2.26 -0.28 -4.73 7.72 7.94 -1.26 -0.85 117.00 123.28 1xtm n LEU 173 Ca -0.15 0.18 -0.42 0.00 -1.11 0.00 0.00 56.01 54.51 1xtm n LEU 173 Cb 0.53 0.38 -0.03 0.00 0.53 0.00 0.00 43.42 44.82 1xtm n LEU 173 CO 0.21 -0.53 0.89 -0.89 -1.11 0.00 0.00 177.39 175.97 1xtm s THR 174 N -2.00 3.75 0.45 1.96 2.01 -1.26 -4.71 115.64 115.84 1xtm s THR 174 Ca 0.00 1.36 -0.21 0.00 0.31 0.00 0.00 61.69 63.15 1xtm s THR 174 Cb 0.00 -3.87 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 1xtm s THR 174 CO 0.00 0.16 0.99 0.20 -0.69 0.00 0.00 174.62 175.28 1xtm s ASN 175 N 0.58 6.69 0.00 3.53 0.01 -1.26 -0.19 114.94 124.30 1xtm s ASN 175 Ca 0.56 1.81 0.19 0.00 -0.71 0.00 0.00 52.86 54.70 1xtm s ASN 175 Cb -0.32 -2.55 0.53 0.00 0.41 0.00 0.00 41.25 39.32 1xtm s ASN 175 CO 0.33 -0.53 1.43 -0.81 -1.51 0.00 0.00 177.10 176.00 1xtm n PRO 176 N -0.73 2.11 0.00 -0.60 -0.04 -1.26 -4.71 135.00 129.78 1xtm n PRO 176 Ca 0.08 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 1xtm n PRO 176 Cb 0.53 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1xtm n PRO 176 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xtm n SER 177 N 0.90 1.46 -1.71 3.54 3.41 -1.09 -4.74 113.62 115.38 1xtm n SER 177 Ca 0.17 -0.21 -0.20 0.00 -0.26 0.00 0.00 58.87 58.37 1xtm n SER 177 Cb 0.44 0.71 -0.08 0.00 -0.26 0.00 0.00 64.21 65.02 1xtm n SER 177 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xtm n GLY 178 N 1.15 1.57 3.24 5.00 0.00 0.74 -2.58 105.19 114.30 1xtm n GLY 178 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1xtm n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xtm n ASN 179 N -1.41 -4.99 0.01 1.61 3.02 -1.26 -1.64 115.26 110.59 1xtm n ASN 179 Ca -0.21 -0.36 0.13 0.00 -0.03 0.00 0.00 54.58 54.11 1xtm n ASN 179 Cb 0.67 -4.05 0.46 0.00 -0.61 0.00 0.00 39.78 36.25 1xtm n ASN 179 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xtm n SER 180 N -2.45 0.24 0.00 6.41 3.41 -1.07 -4.77 113.62 115.40 1xtm n SER 180 Ca -0.06 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1xtm n SER 180 Cb 0.58 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1xtm n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xtm n GLY 181 N 1.48 -0.09 3.74 5.00 0.00 -1.26 0.20 105.19 114.26 1xtm n GLY 181 Ca 0.06 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 1xtm n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtm s ALA 182 N -1.59 2.26 -0.43 4.61 0.00 -1.26 -4.62 121.76 120.72 1xtm s ALA 182 Ca 0.00 0.85 -0.26 0.00 0.00 0.00 0.00 51.96 52.54 1xtm s ALA 182 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.70 1xtm s ALA 182 CO 0.00 -1.64 0.97 -0.98 0.00 0.00 0.00 175.76 174.11 1xtm s ARG 183 N -3.84 3.68 -0.02 0.00 1.70 -1.26 -1.44 118.95 117.77 1xtm s ARG 183 Ca 0.74 0.39 0.12 0.00 -0.47 0.00 0.00 55.73 56.51 1xtm s ARG 183 Cb -0.28 -3.88 -0.19 0.00 -0.57 0.00 0.00 34.95 30.03 1xtm s ARG 183 CO 0.42 -1.16 0.25 0.44 -1.08 0.00 0.00 175.30 174.17 1xtm n ILE 184 N 6.35 0.07 -3.99 4.99 -5.35 -0.12 -4.75 119.36 116.56 1xtm n ILE 184 Ca 0.08 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.13 1xtm n ILE 184 Cb 0.48 0.14 -0.14 0.00 -1.74 0.00 0.00 39.64 38.39 1xtm n ILE 184 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1xtm s VAL 185 N -2.81 0.18 0.02 7.28 1.01 -0.82 -3.00 120.40 122.27 1xtm s VAL 185 Ca -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1xtm s VAL 185 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.25 1xtm s VAL 185 CO 0.51 -0.04 -0.05 0.00 0.00 0.00 0.00 175.10 175.52 1xtm s GLY 187 N -1.18 -0.12 -0.15 0.00 0.00 -0.51 -1.70 107.32 103.66 1xtm s GLY 187 Ca -0.10 0.94 -0.18 0.00 0.00 0.00 0.00 44.72 45.38 1xtm s GLY 187 CO -0.00 1.81 0.47 0.00 0.00 0.00 0.00 173.10 175.37 1xtm s ALA 188 N 2.16 3.51 -0.34 3.20 0.00 -1.26 -0.70 121.76 128.34 1xtm s ALA 188 Ca -0.01 -0.31 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 1xtm s ALA 188 Cb -0.12 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.31 1xtm s ALA 188 CO -0.08 -0.15 0.26 -1.17 0.00 0.00 0.00 175.76 174.61 1xtm s LEU 189 N 0.98 4.50 0.00 0.00 2.96 -0.16 -4.78 118.68 122.18 1xtm s LEU 189 Ca 0.24 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1xtm s LEU 189 Cb -0.15 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 1xtm s LEU 189 CO 0.09 -0.25 0.11 0.18 -1.32 0.00 0.00 176.35 175.16 1xtm n LEU 190 N 5.16 0.00 0.00 -0.68 7.99 -1.26 -2.29 117.00 125.91 1xtm n LEU 190 Ca -0.12 -3.27 0.00 0.00 -0.01 0.00 0.00 56.01 52.61 1xtm n LEU 190 Cb 0.50 0.87 0.00 0.00 -0.11 0.00 0.00 43.42 44.67 1xtm n LEU 190 CO 0.37 -0.49 0.00 0.61 -1.51 0.00 0.00 177.39 176.37