#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxr s GLN 9 N 0.00 4.63 0.00 -2.82 2.00 -1.26 -4.95 119.66 117.27 1xxr s GLN 9 Ca 0.00 1.26 0.00 0.00 -2.00 0.00 0.00 55.36 54.62 1xxr s GLN 9 Cb 0.00 -3.31 0.00 0.00 0.80 0.00 0.00 33.01 30.50 1xxr s GLN 9 CO 0.00 0.43 0.20 0.25 -0.50 0.00 0.00 175.29 175.66 1xxr n THR 10 N 2.08 0.00 -3.91 -0.34 -2.24 -1.26 -5.08 114.28 103.53 1xxr n THR 10 Ca -0.03 -0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 61.43 1xxr n THR 10 Cb 0.49 1.48 -0.09 0.00 -2.10 0.00 0.00 70.33 70.11 1xxr n THR 10 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1xxr s THR 11 N -0.06 0.13 -1.91 4.28 -1.32 -1.26 -5.05 115.64 110.46 1xxr s THR 11 Ca 0.00 -1.10 0.28 0.00 -1.21 0.00 0.00 61.69 59.66 1xxr s THR 11 Cb 0.00 -1.01 0.46 0.00 -1.51 0.00 0.00 72.50 70.44 1xxr s THR 11 CO 0.00 -0.61 1.78 0.61 -2.21 0.00 0.00 174.62 174.19 1xxr n GLY 12 N 0.58 -0.63 3.65 6.08 0.00 -1.26 -4.83 105.19 108.78 1xxr n GLY 12 Ca -0.18 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 1xxr n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xxr s THR 13 N -2.33 5.27 1.07 2.61 2.01 -1.26 -5.08 115.64 117.92 1xxr s THR 13 Ca 0.31 0.43 -0.13 0.00 0.31 0.00 0.00 61.69 62.62 1xxr s THR 13 Cb 0.20 -3.62 0.23 0.00 0.01 0.00 0.00 72.50 69.32 1xxr s THR 13 CO 0.45 0.27 1.08 -0.94 -0.69 0.00 0.00 174.62 174.79 1xxr s SER 14 N 1.21 2.00 0.16 3.53 1.04 -1.26 -5.06 113.70 115.31 1xxr s SER 14 Ca 0.13 1.17 -0.04 0.00 0.48 0.00 0.00 55.95 57.69 1xxr s SER 14 Cb -0.15 -1.83 -0.03 0.00 0.10 0.00 0.00 66.02 64.11 1xxr s SER 14 CO 0.07 -3.52 0.17 0.00 0.98 0.00 0.00 173.24 170.94 1xxr s GLN 15 N -4.90 1.07 0.13 4.02 -2.07 -1.26 -5.11 119.66 111.53 1xxr s GLN 15 Ca 0.67 -1.36 0.01 0.00 -1.82 0.00 0.00 55.36 52.86 1xxr s GLN 15 Cb -0.19 0.30 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 1xxr s GLN 15 CO 0.59 -0.35 -0.00 0.95 -1.32 0.00 0.00 175.29 175.16 1xxr s THR 16 N -4.03 0.46 0.40 3.63 -4.23 -1.26 -5.12 115.64 105.48 1xxr s THR 16 Ca 0.23 -1.93 -0.26 0.00 -1.18 0.00 0.00 61.69 58.55 1xxr s THR 16 Cb 0.06 -1.92 -0.09 0.00 1.34 0.00 0.00 72.50 71.89 1xxr s THR 16 CO 0.03 -0.64 1.27 -0.63 -0.54 0.00 0.00 174.62 174.11 1xxr s ILE 17 N -3.79 2.75 -0.08 2.99 1.01 -1.14 -4.85 121.20 118.08 1xxr s ILE 17 Ca 0.19 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.51 1xxr s ILE 17 Cb 0.07 -3.39 0.02 0.00 0.01 0.00 0.00 42.46 39.16 1xxr s ILE 17 CO -0.01 0.10 -0.06 -1.61 0.00 0.00 0.00 174.94 173.36 1xxr s GLU 18 N -2.20 1.19 0.14 2.79 2.02 -1.26 -0.65 118.70 120.73 1xxr s GLU 18 Ca 0.56 -0.16 0.09 0.00 0.02 0.00 0.00 54.97 55.49 1xxr s GLU 18 Cb -0.37 -1.26 -0.04 0.00 0.10 0.00 0.00 34.13 32.56 1xxr s GLU 18 CO 0.47 -0.19 -0.18 0.14 0.02 0.00 0.00 175.26 175.52 1xxr s VAL 19 N 1.46 2.80 0.00 2.63 -7.23 -0.51 -4.99 120.40 114.55 1xxr s VAL 19 Ca -0.01 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1xxr s VAL 19 Cb -0.13 -2.31 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1xxr s VAL 19 CO -0.04 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1xxr n GLY 20 N 0.60 -0.71 3.89 2.32 0.00 -1.26 -1.32 105.19 108.70 1xxr n GLY 20 Ca -0.14 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.40 1xxr n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xxr s LEU 21 N 0.00 3.65 -0.10 0.99 1.02 -1.26 -5.01 118.68 117.97 1xxr s LEU 21 Ca 0.00 1.11 0.01 0.00 0.02 0.00 0.00 54.13 55.28 1xxr s LEU 21 Cb 0.00 -4.05 -0.02 0.00 0.02 0.00 0.00 46.19 42.14 1xxr s LEU 21 CO 0.00 -0.55 -0.13 0.26 0.02 0.00 0.00 176.35 175.96 1xxr s TRP 22 N -2.65 2.79 -0.85 0.29 0.51 -0.43 -4.93 118.94 113.67 1xxr s TRP 22 Ca 0.51 -0.39 0.00 0.00 -2.12 0.00 0.00 56.10 54.10 1xxr s TRP 22 Cb -0.10 -1.76 0.00 0.00 -0.81 0.00 0.00 33.47 30.80 1xxr s TRP 22 CO 0.40 -0.01 0.00 0.41 -0.51 0.00 0.00 176.95 177.24 1xxr n GLY 23 N 2.96 0.53 4.02 0.98 0.00 -1.26 -1.39 105.19 111.03 1xxr n GLY 23 Ca -0.18 -2.23 -0.19 0.00 0.00 0.00 0.00 46.02 43.42 1xxr n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xxr s GLY 24 N 0.00 1.84 0.00 -0.02 0.00 -0.50 -4.89 107.32 103.74 1xxr s GLY 24 Ca 0.00 -1.96 0.24 0.00 0.00 0.00 0.00 44.72 42.99 1xxr s GLY 24 CO 0.00 -1.65 1.70 -1.55 0.00 0.00 0.00 173.10 171.61 1xxr n PRO 25 N -2.09 1.50 -1.66 2.90 -0.04 -1.26 -4.40 135.00 129.95 1xxr n PRO 25 Ca 0.12 -0.74 -0.30 0.00 -0.04 0.00 0.00 63.50 62.54 1xxr n PRO 25 Cb 0.61 -1.41 0.21 0.00 -0.04 0.00 0.00 33.50 32.87 1xxr n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1xxr s GLY 26 N -1.73 1.74 0.00 0.55 0.00 -1.26 -4.92 107.32 101.69 1xxr s GLY 26 Ca 0.35 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1xxr s GLY 26 CO 0.28 -0.35 0.00 0.61 0.00 0.00 0.00 173.10 173.64 1xxr n GLY 27 N -2.90 -0.50 3.29 0.20 0.00 -1.26 -4.61 105.19 99.41 1xxr n GLY 27 Ca 0.16 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 1xxr n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xxr s ASN 28 N -4.00 2.94 0.44 1.61 0.01 0.28 -4.82 114.94 111.40 1xxr s ASN 28 Ca 0.00 -0.46 -0.24 0.00 -0.71 0.00 0.00 52.86 51.45 1xxr s ASN 28 Cb 0.00 -0.33 -0.08 0.00 0.41 0.00 0.00 41.25 41.26 1xxr s ASN 28 CO 0.00 0.31 1.22 0.00 -1.51 0.00 0.00 177.10 177.12 1xxr s ALA 29 N -0.59 3.08 0.02 0.60 0.00 -1.26 -1.12 121.76 122.48 1xxr s ALA 29 Ca 0.10 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.99 1xxr s ALA 29 Cb -0.10 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1xxr s ALA 29 CO -0.01 -0.74 0.28 1.67 0.00 0.00 0.00 175.76 176.95 1xxr s TRP 30 N -1.41 -0.10 -0.21 0.00 1.48 -0.40 -4.92 118.94 113.38 1xxr s TRP 30 Ca 0.61 0.03 -0.04 0.00 -1.06 0.00 0.00 56.10 55.64 1xxr s TRP 30 Cb -0.33 0.06 0.11 0.00 -1.16 0.00 0.00 33.47 32.16 1xxr s TRP 30 CO 0.41 -0.43 0.34 0.34 -4.06 0.00 0.00 176.95 173.55 1xxr s ASP 31 N -1.73 0.40 0.52 -2.66 -1.08 -1.26 -1.23 116.67 109.62 1xxr s ASP 31 Ca -0.09 0.30 0.31 0.00 -0.52 0.00 0.00 52.55 52.55 1xxr s ASP 31 Cb -0.03 0.96 1.31 0.00 -1.46 0.00 0.00 42.92 43.70 1xxr s ASP 31 CO -0.00 -0.29 1.97 0.44 0.52 0.00 0.00 175.17 177.81 1xxr h ASP 32 N 8.22 0.00 -0.61 -0.34 3.32 -1.54 -3.49 116.42 121.98 1xxr h ASP 32 Ca -0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1xxr h ASP 32 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1xxr h ASP 32 CO 0.23 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.45 1xxr n GLY 33 N -0.09 -1.73 3.44 2.75 0.00 -1.26 -4.93 105.19 103.37 1xxr n GLY 33 Ca -0.00 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.08 1xxr n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xxr s SER 34 N -4.00 3.52 0.00 1.61 1.04 -1.26 -4.09 113.70 110.52 1xxr s SER 34 Ca 0.00 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1xxr s SER 34 Cb 0.00 -0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1xxr s SER 34 CO 0.00 0.11 0.00 -1.22 0.98 0.00 0.00 173.24 173.11 1xxr n TYR 35 N 0.14 0.00 0.05 5.02 4.02 0.99 -4.98 117.16 122.39 1xxr n TYR 35 Ca -0.11 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.89 1xxr n TYR 35 Cb 0.56 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.81 1xxr n TYR 35 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1xxr n THR 36 N 0.00 0.34 -2.90 -0.72 -1.04 -0.25 -4.85 114.28 104.87 1xxr n THR 36 Ca 0.00 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.48 1xxr n THR 36 Cb 0.00 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 1xxr n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xxr n GLY 37 N 1.22 -1.37 3.17 3.41 0.00 -1.11 -4.92 105.19 105.59 1xxr n GLY 37 Ca -0.02 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 1xxr n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xxr s ILE 38 N -2.86 1.98 -0.20 -0.61 1.01 -1.26 -0.59 121.20 118.67 1xxr s ILE 38 Ca 0.00 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 59.75 1xxr s ILE 38 Cb 0.00 -1.75 -0.16 0.00 0.01 0.00 0.00 42.46 40.57 1xxr s ILE 38 CO 0.00 0.54 -0.14 0.54 0.00 0.00 0.00 174.94 175.88 1xxr n ARG 39 N 3.92 0.70 -3.64 2.79 1.74 -0.16 -4.77 116.66 117.23 1xxr n ARG 39 Ca -0.20 0.10 -0.15 0.00 -0.77 0.00 0.00 57.85 56.83 1xxr n ARG 39 Cb 0.52 -1.43 -0.08 0.00 -1.02 0.00 0.00 32.46 30.45 1xxr n ARG 39 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1xxr s GLU 40 N -2.43 0.81 -0.09 5.56 2.12 -0.62 -1.14 118.70 122.91 1xxr s GLU 40 Ca -0.24 0.43 0.02 0.00 0.36 0.00 0.00 54.97 55.54 1xxr s GLU 40 Cb 0.07 0.38 0.01 0.00 0.26 0.00 0.00 34.13 34.86 1xxr s GLU 40 CO 0.54 -0.19 -0.16 0.42 -0.54 0.00 0.00 175.26 175.33 1xxr s ILE 41 N -0.52 1.49 -0.15 -3.70 1.01 0.38 -0.16 121.20 119.54 1xxr s ILE 41 Ca -0.06 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.94 1xxr s ILE 41 Cb -0.03 -1.34 0.00 0.00 0.01 0.00 0.00 42.46 41.10 1xxr s ILE 41 CO 0.05 0.44 -0.18 0.20 0.00 0.00 0.00 174.94 175.44 1xxr s ASN 42 N 0.79 3.44 0.26 3.58 0.01 0.27 0.09 114.94 123.37 1xxr s ASN 42 Ca -0.11 -0.53 -0.04 0.00 -0.71 0.00 0.00 52.86 51.48 1xxr s ASN 42 Cb -0.16 -1.52 -0.02 0.00 0.41 0.00 0.00 41.25 39.97 1xxr s ASN 42 CO 0.02 0.08 0.33 -1.48 -1.51 0.00 0.00 177.10 174.53 1xxr s LEU 43 N 0.83 0.93 0.05 0.60 0.05 -0.49 -0.80 118.68 119.86 1xxr s LEU 43 Ca -0.06 -1.31 0.03 0.00 0.05 0.00 0.00 54.13 52.84 1xxr s LEU 43 Cb -0.15 1.06 -0.02 0.00 -2.05 0.00 0.00 46.19 45.02 1xxr s LEU 43 CO -0.01 -1.06 -0.10 -0.94 -0.55 0.00 0.00 176.35 173.69 1xxr s SER 44 N -3.16 1.19 0.06 1.48 1.04 -0.92 0.15 113.70 113.55 1xxr s SER 44 Ca 0.32 -0.52 -0.13 0.00 0.48 0.00 0.00 55.95 56.10 1xxr s SER 44 Cb 0.03 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.15 1xxr s SER 44 CO 0.15 -0.11 0.30 -1.38 0.98 0.00 0.00 173.24 173.17 1xxr s HIS 45 N -1.19 -0.08 0.00 5.02 -3.43 -0.10 -0.63 115.29 114.89 1xxr s HIS 45 Ca -0.05 -0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.08 1xxr s HIS 45 Cb -0.09 0.09 0.00 0.00 -1.43 0.00 0.00 32.58 31.15 1xxr s HIS 45 CO 0.01 -0.54 0.00 0.41 -2.00 0.00 0.00 174.74 172.63 1xxr n GLY 46 N 0.38 -0.11 0.72 -1.38 0.00 -1.26 -1.02 105.19 102.52 1xxr n GLY 46 Ca -0.18 0.45 0.12 0.00 0.00 0.00 0.00 46.02 46.41 1xxr n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xxr n ASP 47 N 0.00 2.22 -1.82 1.61 5.68 -1.26 -3.80 116.55 119.18 1xxr n ASP 47 Ca 0.00 -1.76 -0.02 0.00 -0.50 0.00 0.00 54.79 52.52 1xxr n ASP 47 Cb 0.00 -0.08 0.01 0.00 -1.14 0.00 0.00 41.12 39.91 1xxr n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xxr n ALA 48 N 0.70 -0.93 -2.62 2.12 0.00 -1.25 -4.05 120.51 114.48 1xxr n ALA 48 Ca 0.17 -0.40 -0.37 0.00 0.00 0.00 0.00 53.44 52.83 1xxr n ALA 48 Cb 0.44 0.25 -0.10 0.00 0.00 0.00 0.00 19.45 20.04 1xxr n ALA 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xxr s ILE 49 N -2.44 5.32 0.00 0.00 -1.09 -0.79 -4.29 121.20 117.91 1xxr s ILE 49 Ca 0.08 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.69 1xxr s ILE 49 Cb -0.01 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 1xxr s ILE 49 CO 0.03 0.28 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 1xxr n GLY 50 N 4.74 0.12 3.87 6.18 0.00 0.19 -1.32 105.19 118.98 1xxr n GLY 50 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 1xxr n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxr s ALA 51 N -4.73 3.36 -0.28 4.61 0.00 -1.25 -3.61 121.76 119.86 1xxr s ALA 51 Ca 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 1xxr s ALA 51 Cb 0.00 -2.71 0.14 0.00 0.00 0.00 0.00 23.12 20.56 1xxr s ALA 51 CO 0.00 0.16 0.57 0.12 0.00 0.00 0.00 175.76 176.61 1xxr s PHE 52 N -2.18 -1.29 0.01 0.00 5.36 -0.27 -2.16 117.98 117.45 1xxr s PHE 52 Ca 0.52 1.88 -0.10 0.00 -0.96 0.00 0.00 56.93 58.27 1xxr s PHE 52 Cb -0.10 0.58 0.01 0.00 -0.34 0.00 0.00 43.02 43.16 1xxr s PHE 52 CO 0.25 -0.71 0.20 -1.54 -1.46 0.00 0.00 175.22 171.97 1xxr s SER 53 N 2.81 -0.03 0.07 6.13 1.04 0.02 -2.79 113.70 120.96 1xxr s SER 53 Ca 0.05 -0.19 0.05 0.00 0.48 0.00 0.00 55.95 56.33 1xxr s SER 53 Cb -0.13 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.22 1xxr s SER 53 CO -0.18 -0.46 -0.14 -0.69 0.98 0.00 0.00 173.24 172.74 1xxr s VAL 54 N -1.83 1.13 -0.36 5.02 1.01 -1.26 -0.57 120.40 123.55 1xxr s VAL 54 Ca -0.11 -1.33 -0.07 0.00 0.00 0.00 0.00 61.98 60.48 1xxr s VAL 54 Cb -0.05 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.29 1xxr s VAL 54 CO 0.00 -0.23 0.14 -0.63 0.00 0.00 0.00 175.10 174.39 1xxr s ILE 55 N -1.30 3.87 0.63 2.22 -1.09 0.78 -0.93 121.20 125.37 1xxr s ILE 55 Ca -0.01 -1.22 -0.02 0.00 -2.23 0.00 0.00 60.65 57.17 1xxr s ILE 55 Cb -0.10 -3.25 0.06 0.00 -1.58 0.00 0.00 42.46 37.59 1xxr s ILE 55 CO 0.02 -0.27 0.90 -0.31 -1.23 0.00 0.00 174.94 174.05 1xxr s TYR 56 N 1.40 2.68 -0.12 3.97 1.51 0.09 -0.99 117.35 125.90 1xxr s TYR 56 Ca -0.00 0.11 -0.05 0.00 -1.01 0.00 0.00 57.07 56.12 1xxr s TYR 56 Cb -0.20 -2.96 -0.04 0.00 -0.11 0.00 0.00 41.96 38.65 1xxr s TYR 56 CO 0.02 -1.20 0.06 0.34 -1.11 0.00 0.00 175.55 173.66 1xxr s ASP 57 N -4.51 5.73 -0.39 2.29 2.15 0.24 -0.62 116.67 121.57 1xxr s ASP 57 Ca 0.60 0.25 0.01 0.00 0.43 0.00 0.00 52.55 53.84 1xxr s ASP 57 Cb -0.10 -1.78 0.12 0.00 -0.30 0.00 0.00 42.92 40.86 1xxr s ASP 57 CO 0.42 0.35 0.18 -0.22 -0.17 0.00 0.00 175.17 175.73 1xxr s LEU 58 N -0.71 2.56 -1.34 -1.34 2.96 0.97 -1.09 118.68 120.69 1xxr s LEU 58 Ca 0.12 -2.24 -0.05 0.00 -0.22 0.00 0.00 54.13 51.74 1xxr s LEU 58 Cb -0.12 -0.98 0.02 0.00 0.50 0.00 0.00 46.19 45.62 1xxr s LEU 58 CO 0.03 -0.33 0.97 0.59 -1.32 0.00 0.00 176.35 176.29 1xxr n ASN 59 N 4.05 -3.57 0.00 3.68 5.03 -1.26 -2.52 115.26 120.68 1xxr n ASN 59 Ca 0.05 -0.68 0.00 0.00 0.87 0.00 0.00 54.58 54.82 1xxr n ASN 59 Cb 0.37 -4.59 0.00 0.00 -1.02 0.00 0.00 39.78 34.55 1xxr n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xxr n GLY 60 N -1.60 1.07 3.18 7.41 0.00 -1.26 -5.05 105.19 108.95 1xxr n GLY 60 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1xxr n GLY 60 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xxr s GLN 61 N -0.50 1.23 0.60 1.61 -1.52 -1.05 -5.12 119.66 114.91 1xxr s GLN 61 Ca 0.00 -0.77 -0.19 0.00 -1.95 0.00 0.00 55.36 52.45 1xxr s GLN 61 Cb 0.00 -1.26 -0.03 0.00 -0.22 0.00 0.00 33.01 31.49 1xxr s GLN 61 CO 0.00 0.33 1.23 -1.25 -0.25 0.00 0.00 175.29 175.34 1xxr s PRO 62 N -0.90 2.94 -0.04 2.91 0.04 -1.26 -0.02 135.00 138.66 1xxr s PRO 62 Ca 0.05 1.88 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 1xxr s PRO 62 Cb -0.08 -1.94 0.03 0.00 0.04 0.00 0.00 34.50 32.55 1xxr s PRO 62 CO 0.01 -1.25 0.07 0.12 0.04 0.00 0.00 177.00 175.99 1xxr s PHE 63 N -1.55 0.03 -0.24 0.56 5.36 0.21 -4.76 117.98 117.60 1xxr s PHE 63 Ca 0.78 0.29 -0.29 0.00 -0.96 0.00 0.00 56.93 56.75 1xxr s PHE 63 Cb -0.32 -0.43 -0.01 0.00 -0.34 0.00 0.00 43.02 41.92 1xxr s PHE 63 CO 0.35 -0.19 1.31 0.99 -1.46 0.00 0.00 175.22 176.21 1xxr s THR 64 N 2.10 4.17 0.84 0.12 2.01 -1.26 -0.73 115.64 122.89 1xxr s THR 64 Ca 0.04 1.36 -0.12 0.00 0.31 0.00 0.00 61.69 63.27 1xxr s THR 64 Cb -0.12 -4.06 0.10 0.00 0.01 0.00 0.00 72.50 68.43 1xxr s THR 64 CO -0.03 -0.32 1.18 -0.83 -0.69 0.00 0.00 174.62 173.93 1xxr s GLY 65 N 2.54 1.60 0.45 4.40 0.00 -0.11 -4.96 107.32 111.25 1xxr s GLY 65 Ca 0.57 -0.67 -0.25 0.00 0.00 0.00 0.00 44.72 44.37 1xxr s GLY 65 CO 0.20 -0.15 1.32 -1.05 0.00 0.00 0.00 173.10 173.42 1xxr n PRO 66 N -3.44 1.96 -3.37 2.90 -0.02 -1.26 -4.71 135.00 127.06 1xxr n PRO 66 Ca 0.08 0.70 -0.32 0.00 -2.02 0.00 0.00 63.50 61.95 1xxr n PRO 66 Cb 0.61 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 1xxr n PRO 66 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xxr s THR 67 N -1.22 4.91 -0.42 3.45 -4.23 -1.26 -4.50 115.64 112.37 1xxr s THR 67 Ca 0.63 0.49 0.08 0.00 -1.18 0.00 0.00 61.69 61.70 1xxr s THR 67 Cb -0.47 -3.63 0.24 0.00 1.34 0.00 0.00 72.50 69.98 1xxr s THR 67 CO 0.56 -0.11 0.53 1.41 -0.54 0.00 0.00 174.62 176.47 1xxr n HIS 68 N -0.25 0.06 0.27 3.99 8.25 -1.12 -5.00 115.22 121.42 1xxr n HIS 68 Ca 0.01 -3.61 0.18 0.00 -0.26 0.00 0.00 57.72 54.03 1xxr n HIS 68 Cb 0.53 -0.34 0.94 0.00 1.12 0.00 0.00 29.99 32.24 1xxr n HIS 68 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1xxr h PRO 69 N 4.12 0.00 0.00 -0.41 0.13 -1.89 -0.70 132.00 133.25 1xxr h PRO 69 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1xxr h PRO 69 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1xxr h PRO 69 CO 0.50 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.68 1xxr n GLY 70 N -1.29 0.32 2.68 1.56 0.00 -1.26 -3.81 105.19 103.39 1xxr n GLY 70 Ca -0.01 -0.93 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 1xxr n GLY 70 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xxr n ASN 71 N -2.48 -0.04 -3.77 1.61 5.15 0.12 -4.90 115.26 110.96 1xxr n ASN 71 Ca 0.00 -2.60 -0.28 0.00 -0.60 0.00 0.00 54.58 51.10 1xxr n ASN 71 Cb 0.00 0.15 -0.11 0.00 -0.53 0.00 0.00 39.78 39.29 1xxr n ASN 71 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1xxr n GLU 72 N -0.29 1.47 0.21 1.20 -0.58 -1.24 -4.93 120.64 116.48 1xxr n GLU 72 Ca 0.04 -4.19 0.15 0.00 -0.42 0.00 0.00 57.16 52.73 1xxr n GLU 72 Cb 0.83 -2.14 0.75 0.00 -0.57 0.00 0.00 31.44 30.31 1xxr n GLU 72 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1xxr h PRO 73 N 5.40 0.00 0.00 3.49 0.13 -1.94 -2.67 132.00 136.41 1xxr h PRO 73 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1xxr h PRO 73 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1xxr h PRO 73 CO 0.64 0.00 -0.16 -1.13 -0.23 0.00 0.00 178.00 177.12 1xxr n SER 74 N -2.53 0.81 -4.75 1.44 3.41 -1.26 -4.93 113.62 105.81 1xxr n SER 74 Ca -0.01 0.47 -0.35 0.00 -0.26 0.00 0.00 58.87 58.71 1xxr n SER 74 Cb 0.09 -0.57 0.05 0.00 -0.26 0.00 0.00 64.21 63.53 1xxr n SER 74 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1xxr s PHE 75 N -3.12 2.33 -0.07 7.33 2.99 -1.01 -4.99 117.98 121.44 1xxr s PHE 75 Ca 0.09 1.55 -0.30 0.00 0.00 0.00 0.00 56.93 58.28 1xxr s PHE 75 Cb 0.12 -3.41 -0.03 0.00 0.00 0.00 0.00 43.02 39.70 1xxr s PHE 75 CO 0.63 -2.23 1.17 0.21 -0.00 0.00 0.00 175.22 175.00 1xxr s LYS 76 N -3.66 4.36 0.08 0.44 2.47 -0.18 -4.75 119.74 118.49 1xxr s LYS 76 Ca 0.74 1.62 -0.20 0.00 -1.56 0.00 0.00 55.97 56.57 1xxr s LYS 76 Cb -0.28 -3.56 -0.07 0.00 -1.46 0.00 0.00 37.83 32.46 1xxr s LYS 76 CO 0.38 -0.44 0.59 0.95 0.16 0.00 0.00 175.35 176.99 1xxr s THR 77 N 2.25 4.71 -0.01 3.43 -4.23 -1.26 -0.92 115.64 119.61 1xxr s THR 77 Ca 0.54 1.25 0.02 0.00 -1.18 0.00 0.00 61.69 62.32 1xxr s THR 77 Cb -0.23 -3.91 -0.01 0.00 1.34 0.00 0.00 72.50 69.69 1xxr s THR 77 CO 0.21 0.54 -0.07 -0.69 -0.54 0.00 0.00 174.62 174.07 1xxr s VAL 78 N -1.13 0.57 -0.17 2.29 1.01 0.12 -4.98 120.40 118.11 1xxr s VAL 78 Ca 0.30 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1xxr s VAL 78 Cb -0.20 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.72 1xxr s VAL 78 CO 0.20 0.16 -0.20 -0.75 0.00 0.00 0.00 175.10 174.51 1xxr s LYS 79 N -0.15 3.02 -0.41 2.72 2.20 -1.26 -1.40 119.74 124.47 1xxr s LYS 79 Ca 0.03 -0.82 -0.08 0.00 -0.36 0.00 0.00 55.97 54.73 1xxr s LYS 79 Cb -0.03 -2.56 0.08 0.00 -1.51 0.00 0.00 37.83 33.81 1xxr s LYS 79 CO -0.00 -0.16 0.23 0.42 -0.36 0.00 0.00 175.35 175.48 1xxr s ILE 80 N 1.18 4.01 -0.43 5.43 1.01 0.11 -4.98 121.20 127.54 1xxr s ILE 80 Ca 0.02 -1.47 -0.14 0.00 0.00 0.00 0.00 60.65 59.06 1xxr s ILE 80 Cb -0.14 -3.48 0.04 0.00 0.01 0.00 0.00 42.46 38.90 1xxr s ILE 80 CO -0.10 -0.49 0.32 -0.89 0.00 0.00 0.00 174.94 173.78 1xxr s THR 81 N 1.38 5.06 0.35 2.92 2.01 -1.26 -0.47 115.64 125.63 1xxr s THR 81 Ca 0.03 -0.89 -0.22 0.00 0.31 0.00 0.00 61.69 60.92 1xxr s THR 81 Cb -0.23 -3.91 -0.10 0.00 0.01 0.00 0.00 72.50 68.27 1xxr s THR 81 CO 0.01 -0.41 0.88 -0.76 -0.69 0.00 0.00 174.62 173.65 1xxr s LEU 82 N 1.63 4.15 -1.45 4.42 1.43 -0.29 -4.95 118.68 123.62 1xxr s LEU 82 Ca 0.04 1.63 -0.13 0.00 -1.03 0.00 0.00 54.13 54.65 1xxr s LEU 82 Cb -0.21 -4.15 0.05 0.00 0.03 0.00 0.00 46.19 41.90 1xxr s LEU 82 CO 0.08 -0.18 2.26 -0.67 0.23 0.00 0.00 176.35 178.07 1xxr n ASP 83 N -0.00 4.68 -4.77 2.29 4.64 -1.26 -4.86 116.55 117.28 1xxr n ASP 83 Ca 0.03 -2.86 -0.40 0.00 -1.38 0.00 0.00 54.79 50.18 1xxr n ASP 83 Cb 0.52 -1.62 -0.03 0.00 -1.04 0.00 0.00 41.12 38.96 1xxr n ASP 83 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 1xxr s PHE 84 N 2.58 3.20 -2.44 -0.67 5.36 -1.26 -0.55 117.98 124.20 1xxr s PHE 84 Ca 0.49 1.51 0.26 0.00 -0.96 0.00 0.00 56.93 58.22 1xxr s PHE 84 Cb 0.14 -3.54 0.60 0.00 -0.34 0.00 0.00 43.02 39.87 1xxr s PHE 84 CO -0.07 -1.44 1.48 -0.35 -1.46 0.00 0.00 175.22 173.38 1xxr n PRO 85 N 0.86 1.64 0.20 10.12 -0.04 -1.26 -4.87 135.00 141.64 1xxr n PRO 85 Ca -0.00 -1.16 0.04 0.00 -0.04 0.00 0.00 63.50 62.34 1xxr n PRO 85 Cb 0.43 -1.48 0.45 0.00 -0.04 0.00 0.00 33.50 32.86 1xxr n PRO 85 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1xxr h ASN 86 N 2.83 0.02 -3.27 3.54 2.35 -1.81 -3.41 115.58 115.83 1xxr h ASN 86 Ca 0.00 -0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.11 1xxr h ASN 86 Cb 0.68 -0.01 -0.17 0.00 0.05 0.00 0.00 38.32 38.88 1xxr h ASN 86 CO 0.00 0.26 -0.59 -0.70 -1.65 0.00 0.00 177.43 174.74 1xxr s GLU 87 N -4.51 3.74 0.06 0.81 2.12 0.29 -4.95 118.70 116.26 1xxr s GLU 87 Ca -0.04 -0.39 -0.16 0.00 0.36 0.00 0.00 54.97 54.75 1xxr s GLU 87 Cb 0.15 -3.08 0.03 0.00 0.26 0.00 0.00 34.13 31.49 1xxr s GLU 87 CO 0.71 0.35 0.36 -0.59 -0.54 0.00 0.00 175.26 175.54 1xxr s PHE 88 N 0.13 -0.17 0.24 5.30 -0.12 -1.26 -4.30 117.98 117.80 1xxr s PHE 88 Ca 0.03 0.03 -0.30 0.00 -0.05 0.00 0.00 56.93 56.64 1xxr s PHE 88 Cb -0.13 0.16 -0.10 0.00 -0.63 0.00 0.00 43.02 42.33 1xxr s PHE 88 CO 0.01 -0.57 1.38 -0.51 -0.05 0.00 0.00 175.22 175.48 1xxr s LEU 89 N -2.21 4.40 0.00 -1.99 1.43 -1.26 -1.82 118.68 117.23 1xxr s LEU 89 Ca -0.03 2.57 0.01 0.00 -1.03 0.00 0.00 54.13 55.66 1xxr s LEU 89 Cb -0.00 -3.62 -0.00 0.00 0.03 0.00 0.00 46.19 42.60 1xxr s LEU 89 CO -0.05 -0.62 0.27 1.33 0.23 0.00 0.00 176.35 177.51 1xxr n VAL 90 N 2.27 0.00 -3.63 -1.59 0.24 0.73 -4.77 118.33 111.58 1xxr n VAL 90 Ca 0.06 -0.48 -0.08 0.00 -2.04 0.00 0.00 64.34 61.80 1xxr n VAL 90 Cb 0.41 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.73 1xxr n VAL 90 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1xxr s SER 91 N -0.67 -0.33 -0.04 -1.34 0.15 -0.78 0.14 113.70 110.83 1xxr s SER 91 Ca 0.01 0.59 0.02 0.00 0.70 0.00 0.00 55.95 57.27 1xxr s SER 91 Cb 0.01 0.58 0.01 0.00 -1.71 0.00 0.00 66.02 64.91 1xxr s SER 91 CO 0.04 -0.15 -0.08 -0.69 1.20 0.00 0.00 173.24 173.56 1xxr s VAL 92 N -0.11 0.73 0.29 4.45 1.01 -1.11 -0.80 120.40 124.86 1xxr s VAL 92 Ca 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1xxr s VAL 92 Cb -0.04 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 1xxr s VAL 92 CO -0.07 0.25 0.34 -0.94 0.00 0.00 0.00 175.10 174.69 1xxr s SER 93 N 0.53 0.76 0.00 3.32 1.04 -0.65 0.15 113.70 118.85 1xxr s SER 93 Ca -0.08 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 54.90 1xxr s SER 93 Cb -0.12 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1xxr s SER 93 CO 0.01 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1xxr n GLY 94 N -0.48 -0.56 3.01 7.32 0.00 -0.49 -0.26 105.19 113.72 1xxr n GLY 94 Ca 0.02 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 45.06 1xxr n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xxr s TYR 95 N -3.00 0.63 0.08 1.61 2.02 -0.66 -1.45 117.35 116.57 1xxr s TYR 95 Ca 0.00 -0.22 0.09 0.00 -0.37 0.00 0.00 57.07 56.58 1xxr s TYR 95 Cb 0.00 -0.39 -0.03 0.00 -0.40 0.00 0.00 41.96 41.14 1xxr s TYR 95 CO 0.00 -0.02 -0.25 0.95 -1.57 0.00 0.00 175.55 174.65 1xxr s THR 96 N -0.49 2.07 0.00 -0.71 -4.23 0.22 -0.66 115.64 111.85 1xxr s THR 96 Ca -0.01 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1xxr s THR 96 Cb -0.05 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 71.99 1xxr s THR 96 CO 0.00 0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1xxr n GLY 97 N 1.43 1.20 3.75 3.99 0.00 -0.43 -0.19 105.19 114.93 1xxr n GLY 97 Ca -0.18 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 1xxr n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xxr s VAL 98 N -2.00 3.64 -0.42 1.61 1.01 -1.26 -0.74 120.40 122.24 1xxr s VAL 98 Ca 0.00 1.51 -0.06 0.00 0.00 0.00 0.00 61.98 63.44 1xxr s VAL 98 Cb 0.00 -3.97 0.10 0.00 0.00 0.00 0.00 36.38 32.52 1xxr s VAL 98 CO 0.00 0.31 0.24 -0.22 0.00 0.00 0.00 175.10 175.43 1xxr s LEU 99 N -0.86 5.25 0.22 3.92 2.96 -1.26 -4.96 118.68 123.96 1xxr s LEU 99 Ca 0.48 -1.83 -0.15 0.00 -0.22 0.00 0.00 54.13 52.40 1xxr s LEU 99 Cb -0.31 -1.90 0.25 0.00 0.50 0.00 0.00 46.19 44.73 1xxr s LEU 99 CO 0.38 -0.56 1.46 0.00 -1.32 0.00 0.00 176.35 176.31 1xxr n ALA 100 N 4.75 -0.08 0.22 5.97 0.00 -1.26 -1.08 120.51 129.03 1xxr n ALA 100 Ca -0.06 0.95 0.12 0.00 0.00 0.00 0.00 53.44 54.45 1xxr n ALA 100 Cb 0.42 -0.44 0.66 0.00 0.00 0.00 0.00 19.45 20.08 1xxr n ALA 100 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1xxr h ARG 101 N 0.00 0.00 0.00 0.00 0.11 -2.04 -0.52 114.38 111.93 1xxr h ARG 101 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 1xxr h ARG 101 Cb 0.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.66 1xxr h ARG 101 CO -0.94 0.00 0.00 -0.07 0.10 0.00 0.00 179.97 179.06 1xxr h LEU 102 N 0.00 0.00 -1.16 0.08 3.38 -1.54 -3.47 115.31 112.60 1xxr h LEU 102 Ca 0.00 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.54 1xxr h LEU 102 Cb 0.28 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.08 1xxr h LEU 102 CO 0.00 0.00 -0.75 0.00 0.09 0.00 0.00 178.44 177.78 1xxr n ALA 103 N -1.98 -1.49 -0.01 1.53 0.00 -0.21 -4.88 120.51 113.47 1xxr n ALA 103 Ca 0.04 0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.64 1xxr n ALA 103 Cb 0.44 -4.12 -0.02 0.00 0.00 0.00 0.00 19.45 15.75 1xxr n ALA 103 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xxr n THR 104 N -4.65 0.11 -0.92 0.00 -2.24 -1.26 -5.00 114.28 100.32 1xxr n THR 104 Ca -0.06 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1xxr n THR 104 Cb 0.58 -0.62 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 1xxr n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xxr n GLY 105 N 2.75 0.50 3.72 3.38 0.00 -1.26 -5.00 105.19 109.28 1xxr n GLY 105 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1xxr n GLY 105 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxr s LYS 106 N -0.50 2.76 0.43 1.61 1.02 -1.26 -4.92 119.74 118.88 1xxr s LYS 106 Ca 0.00 -0.70 -0.25 0.00 0.02 0.00 0.00 55.97 55.04 1xxr s LYS 106 Cb 0.00 -2.66 -0.08 0.00 -0.52 0.00 0.00 37.83 34.57 1xxr s LYS 106 CO 0.00 0.58 1.29 -0.51 -0.92 0.00 0.00 175.35 175.79 1xxr s ASP 107 N -2.10 6.15 0.32 2.83 1.01 -1.26 -4.32 116.67 119.31 1xxr s ASP 107 Ca 0.25 2.61 0.04 0.00 0.71 0.00 0.00 52.55 56.16 1xxr s ASP 107 Cb -0.12 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.15 1xxr s ASP 107 CO 0.17 -0.95 0.17 0.68 0.21 0.00 0.00 175.17 175.45 1xxr s VAL 108 N -1.31 0.32 -0.62 -1.27 -7.23 0.08 -1.61 120.40 108.74 1xxr s VAL 108 Ca 0.60 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.51 1xxr s VAL 108 Cb -0.37 -2.49 0.04 0.00 0.56 0.00 0.00 36.38 34.13 1xxr s VAL 108 CO 0.46 0.00 1.09 -0.63 -0.31 0.00 0.00 175.10 175.71 1xxr s ILE 109 N -3.53 4.12 0.11 -0.62 -1.09 0.42 -1.31 121.20 119.30 1xxr s ILE 109 Ca 0.35 0.34 -0.04 0.00 -2.23 0.00 0.00 60.65 59.06 1xxr s ILE 109 Cb 0.04 -4.71 -0.22 0.00 -1.58 0.00 0.00 42.46 35.99 1xxr s ILE 109 CO 0.18 -1.42 1.24 0.03 -1.23 0.00 0.00 174.94 173.75 1xxr h ARG 110 N 9.59 0.36 -3.55 2.79 2.47 -1.17 -2.10 114.38 122.77 1xxr h ARG 110 Ca -0.27 -0.46 -0.09 0.00 -1.26 0.00 0.00 59.98 57.91 1xxr h ARG 110 Cb 1.06 0.15 -0.15 0.00 -1.65 0.00 0.00 29.97 29.38 1xxr h ARG 110 CO 1.18 1.15 -0.30 0.45 0.56 0.00 0.00 179.97 183.01 1xxr s SER 111 N -7.12 -0.02 -0.04 7.04 0.15 -1.05 -1.19 113.70 111.48 1xxr s SER 111 Ca -0.05 -0.41 -0.07 0.00 0.70 0.00 0.00 55.95 56.12 1xxr s SER 111 Cb 0.08 0.35 0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1xxr s SER 111 CO 0.87 -0.67 0.16 -0.76 1.20 0.00 0.00 173.24 174.04 1xxr s LEU 112 N -2.45 1.42 -0.02 3.45 1.02 -0.84 -1.66 118.68 119.60 1xxr s LEU 112 Ca -0.00 0.13 0.01 0.00 0.02 0.00 0.00 54.13 54.29 1xxr s LEU 112 Cb 0.02 0.63 0.01 0.00 0.02 0.00 0.00 46.19 46.87 1xxr s LEU 112 CO -0.07 -0.18 -0.03 -0.89 0.02 0.00 0.00 176.35 175.20 1xxr s THR 113 N -0.48 0.34 -0.18 5.49 2.01 0.64 -0.60 115.64 122.85 1xxr s THR 113 Ca -0.06 -0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.86 1xxr s THR 113 Cb -0.04 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.13 1xxr s THR 113 CO 0.01 0.14 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.55 1xxr s PHE 114 N 0.51 2.80 -0.20 4.92 0.08 0.31 -1.64 117.98 124.75 1xxr s PHE 114 Ca -0.06 -1.52 -0.01 0.00 0.12 0.00 0.00 56.93 55.46 1xxr s PHE 114 Cb -0.09 -1.94 0.01 0.00 -0.57 0.00 0.00 43.02 40.43 1xxr s PHE 114 CO -0.01 -0.76 -0.12 0.21 -0.10 0.00 0.00 175.22 174.45 1xxr s LYS 115 N 1.29 3.19 0.56 0.44 2.20 0.02 0.67 119.74 128.11 1xxr s LYS 115 Ca 0.04 -0.72 0.08 0.00 -0.36 0.00 0.00 55.97 55.01 1xxr s LYS 115 Cb -0.13 -2.79 0.08 0.00 -1.51 0.00 0.00 37.83 33.47 1xxr s LYS 115 CO -0.11 -0.20 0.66 0.25 -0.36 0.00 0.00 175.35 175.59 1xxr n THR 116 N 4.69 0.00 1.09 3.43 -2.24 0.03 -0.19 114.28 121.09 1xxr n THR 116 Ca -0.20 -1.98 0.11 0.00 -2.27 0.00 0.00 64.05 59.71 1xxr n THR 116 Cb 0.50 -0.36 0.57 0.00 -2.10 0.00 0.00 70.33 68.94 1xxr n THR 116 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1xxr n ASN 117 N -2.17 0.00 -0.09 3.42 6.94 -0.76 -3.60 115.26 119.01 1xxr n ASN 117 Ca 0.10 -0.13 -0.13 0.00 -0.02 0.00 0.00 54.58 54.40 1xxr n ASN 117 Cb 0.60 -0.24 -0.08 0.00 -2.36 0.00 0.00 39.78 37.70 1xxr n ASN 117 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1xxr n LYS 118 N -1.24 0.42 -3.16 -3.83 4.76 -1.26 -5.05 118.16 108.80 1xxr n LYS 118 Ca 0.11 0.11 -0.05 0.00 -2.87 0.00 0.00 58.31 55.61 1xxr n LYS 118 Cb 0.16 -1.31 0.02 0.00 -1.84 0.00 0.00 35.03 32.06 1xxr n LYS 118 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1xxr n LYS 119 N -3.12 0.70 -4.84 1.97 2.85 -1.24 -5.16 118.16 109.32 1xxr n LYS 119 Ca -0.31 -1.44 -0.33 0.00 -1.05 0.00 0.00 58.31 55.18 1xxr n LYS 119 Cb 0.81 1.85 -0.14 0.00 -0.65 0.00 0.00 35.03 36.90 1xxr n LYS 119 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1xxr s THR 120 N -2.27 3.00 -0.21 0.58 2.01 -1.26 -0.79 115.64 116.70 1xxr s THR 120 Ca 0.14 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 1xxr s THR 120 Cb -0.03 -2.22 -0.01 0.00 0.01 0.00 0.00 72.50 70.25 1xxr s THR 120 CO 0.07 0.55 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.18 1xxr s TYR 121 N -0.01 2.94 0.00 4.92 1.51 0.21 -4.99 117.35 121.93 1xxr s TYR 121 Ca -0.04 -0.94 0.00 0.00 -1.01 0.00 0.00 57.07 55.08 1xxr s TYR 121 Cb -0.14 -2.08 0.00 0.00 -0.11 0.00 0.00 41.96 39.63 1xxr s TYR 121 CO 0.04 -0.53 0.00 0.41 -1.11 0.00 0.00 175.55 174.37 1xxr n GLY 122 N 4.67 0.11 3.75 0.71 0.00 -1.26 -0.53 105.19 112.64 1xxr n GLY 122 Ca -0.18 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.17 1xxr n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xxr s PRO 123 N 0.00 4.47 0.01 1.61 0.04 -1.26 -5.00 135.00 134.87 1xxr s PRO 123 Ca 0.00 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.03 1xxr s PRO 123 Cb 0.00 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1xxr s PRO 123 CO 0.00 -0.07 0.17 0.71 0.04 0.00 0.00 177.00 177.85 1xxr s TYR 124 N -0.67 3.50 0.00 0.56 2.02 0.23 -4.96 117.35 118.02 1xxr s TYR 124 Ca 0.50 0.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.50 1xxr s TYR 124 Cb -0.36 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.41 1xxr s TYR 124 CO 0.43 0.62 0.00 0.41 -1.57 0.00 0.00 175.55 175.44 1xxr n GLY 125 N 0.76 -0.78 3.31 0.71 0.00 -1.26 -1.98 105.19 105.95 1xxr n GLY 125 Ca -0.09 -1.25 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 1xxr n GLY 125 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xxr s LYS 126 N 0.00 3.32 -1.33 1.61 2.47 -0.33 -4.86 119.74 120.62 1xxr s LYS 126 Ca 0.00 -0.68 -0.15 0.00 -1.56 0.00 0.00 55.97 53.58 1xxr s LYS 126 Cb 0.00 -2.77 0.09 0.00 -1.46 0.00 0.00 37.83 33.70 1xxr s LYS 126 CO 0.00 -0.01 1.84 0.39 0.16 0.00 0.00 175.35 177.74 1xxr n GLU 127 N 4.17 3.18 -4.10 4.03 1.02 -1.26 -3.62 120.64 124.07 1xxr n GLU 127 Ca -0.19 -3.22 -0.14 0.00 -0.02 0.00 0.00 57.16 53.59 1xxr n GLU 127 Cb 0.52 -3.29 -0.13 0.00 -0.02 0.00 0.00 31.44 28.52 1xxr n GLU 127 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xxr s GLU 128 N 2.98 0.47 0.00 3.49 2.02 -1.26 -5.08 118.70 121.32 1xxr s GLU 128 Ca 0.48 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.97 1xxr s GLU 128 Cb 0.06 -0.33 0.00 0.00 0.10 0.00 0.00 34.13 33.97 1xxr s GLU 128 CO 0.01 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.77 1xxr n GLY 129 N 2.11 0.41 3.57 -1.39 0.00 -1.26 -4.42 105.19 104.22 1xxr n GLY 129 Ca -0.18 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 1xxr n GLY 129 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xxr s THR 130 N 0.00 4.77 0.71 2.61 2.01 0.73 -4.87 115.64 121.59 1xxr s THR 130 Ca 0.00 -0.03 -0.11 0.00 0.31 0.00 0.00 61.69 61.86 1xxr s THR 130 Cb 0.00 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.33 1xxr s THR 130 CO 0.00 0.38 1.07 -2.16 -0.69 0.00 0.00 174.62 173.22 1xxr s PRO 131 N 1.02 2.86 0.05 4.92 0.04 -1.26 -0.61 135.00 142.02 1xxr s PRO 131 Ca 0.05 0.75 -0.17 0.00 0.04 0.00 0.00 61.00 61.67 1xxr s PRO 131 Cb -0.14 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1xxr s PRO 131 CO 0.03 -1.10 0.38 -0.59 0.04 0.00 0.00 177.00 175.76 1xxr s PHE 132 N -3.16 -0.22 -0.17 0.56 -0.12 -0.53 -4.88 117.98 109.47 1xxr s PHE 132 Ca 0.58 0.14 -0.25 0.00 -0.05 0.00 0.00 56.93 57.34 1xxr s PHE 132 Cb -0.13 0.19 0.06 0.00 -0.63 0.00 0.00 43.02 42.51 1xxr s PHE 132 CO 0.54 -0.56 0.65 -1.54 -0.05 0.00 0.00 175.22 174.26 1xxr s SER 133 N -2.06 -0.65 -0.53 1.98 1.04 -1.26 -1.40 113.70 110.82 1xxr s SER 133 Ca -0.05 1.05 0.04 0.00 0.48 0.00 0.00 55.95 57.47 1xxr s SER 133 Cb -0.01 1.01 0.16 0.00 0.10 0.00 0.00 66.02 67.28 1xxr s SER 133 CO -0.03 -0.37 0.36 -0.22 0.98 0.00 0.00 173.24 173.96 1xxr s LEU 134 N -0.28 3.15 0.29 2.42 2.96 0.12 -4.98 118.68 122.36 1xxr s LEU 134 Ca -0.05 -3.21 -0.28 0.00 -0.22 0.00 0.00 54.13 50.38 1xxr s LEU 134 Cb -0.03 -1.10 -0.09 0.00 0.50 0.00 0.00 46.19 45.46 1xxr s LEU 134 CO 0.04 -0.17 0.98 -2.16 -1.32 0.00 0.00 176.35 173.72 1xxr s PRO 135 N -0.40 4.66 -0.10 0.98 0.04 -1.26 -2.75 135.00 136.16 1xxr s PRO 135 Ca 0.25 1.50 0.04 0.00 0.04 0.00 0.00 61.00 62.82 1xxr s PRO 135 Cb -0.09 -3.04 -0.00 0.00 0.04 0.00 0.00 34.50 31.41 1xxr s PRO 135 CO -0.12 0.32 -0.23 0.42 0.04 0.00 0.00 177.00 177.44 1xxr s ILE 136 N -1.36 2.13 -0.24 0.56 1.01 0.12 -4.96 121.20 118.46 1xxr s ILE 136 Ca 0.46 -0.99 0.08 0.00 0.00 0.00 0.00 60.65 60.19 1xxr s ILE 136 Cb -0.24 -1.82 -0.20 0.00 0.01 0.00 0.00 42.46 40.21 1xxr s ILE 136 CO 0.31 0.56 -0.12 -0.62 0.00 0.00 0.00 174.94 175.06 1xxr n GLU 137 N 3.54 0.67 -3.74 2.79 1.02 -1.26 -4.81 120.64 118.85 1xxr n GLU 137 Ca -0.19 0.09 -0.14 0.00 -0.02 0.00 0.00 57.16 56.91 1xxr n GLU 137 Cb 0.53 -1.52 -0.14 0.00 -0.02 0.00 0.00 31.44 30.29 1xxr n GLU 137 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1xxr s ASN 138 N -6.15 -0.08 0.00 1.62 2.47 -1.26 -5.11 114.94 106.43 1xxr s ASN 138 Ca -0.26 0.36 0.00 0.00 0.42 0.00 0.00 52.86 53.38 1xxr s ASN 138 Cb 0.08 0.25 0.00 0.00 -1.45 0.00 0.00 41.25 40.13 1xxr s ASN 138 CO 0.68 -0.16 0.00 0.61 -3.72 0.00 0.00 177.10 174.51 1xxr n GLY 139 N 4.31 0.88 3.05 1.21 0.00 -1.26 -4.97 105.19 108.41 1xxr n GLY 139 Ca -0.25 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.47 1xxr n GLY 139 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xxr s LEU 140 N 0.00 2.23 -0.21 0.99 1.43 0.48 -4.95 118.68 118.65 1xxr s LEU 140 Ca 0.00 -0.69 -0.26 0.00 -1.03 0.00 0.00 54.13 52.14 1xxr s LEU 140 Cb 0.00 0.26 -0.00 0.00 0.03 0.00 0.00 46.19 46.48 1xxr s LEU 140 CO 0.00 -0.46 0.91 -0.63 0.23 0.00 0.00 176.35 176.39 1xxr s ILE 141 N -2.66 4.80 -0.28 -0.59 1.01 -1.26 -1.44 121.20 120.78 1xxr s ILE 141 Ca -0.05 1.76 0.03 0.00 0.00 0.00 0.00 60.65 62.39 1xxr s ILE 141 Cb -0.01 -4.19 0.08 0.00 0.01 0.00 0.00 42.46 38.34 1xxr s ILE 141 CO -0.05 -0.08 1.02 1.33 0.00 0.00 0.00 174.94 177.16 1xxr n VAL 142 N 5.11 0.88 -3.63 2.92 0.24 -0.01 -4.56 118.33 119.27 1xxr n VAL 142 Ca 0.07 -0.94 -0.03 0.00 -2.04 0.00 0.00 64.34 61.40 1xxr n VAL 142 Cb 0.47 0.57 -0.05 0.00 -1.47 0.00 0.00 33.84 33.36 1xxr n VAL 142 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1xxr s GLY 143 N -0.91 0.07 0.13 7.63 0.00 -1.23 -0.01 107.32 112.99 1xxr s GLY 143 Ca 0.06 2.82 0.08 0.00 0.00 0.00 0.00 44.72 47.68 1xxr s GLY 143 CO 0.04 1.22 -0.10 -1.36 0.00 0.00 0.00 173.10 172.91 1xxr s PHE 144 N -0.86 2.71 0.18 1.90 0.08 -1.26 -0.49 117.98 120.24 1xxr s PHE 144 Ca 0.07 -0.18 -0.09 0.00 0.12 0.00 0.00 56.93 56.86 1xxr s PHE 144 Cb -0.01 -1.39 -0.01 0.00 -0.57 0.00 0.00 43.02 41.03 1xxr s PHE 144 CO -0.08 0.45 0.31 -1.59 -0.10 0.00 0.00 175.22 174.21 1xxr s LYS 145 N -2.38 1.23 0.00 0.44 -2.85 -0.90 -1.18 119.74 114.10 1xxr s LYS 145 Ca 0.22 -1.23 0.00 0.00 -1.00 0.00 0.00 55.97 53.97 1xxr s LYS 145 Cb -0.10 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.05 1xxr s LYS 145 CO 0.14 -0.46 0.00 0.41 0.10 0.00 0.00 175.35 175.54 1xxr n GLY 146 N -0.25 -0.62 3.04 0.59 0.00 -0.37 -0.01 105.19 107.57 1xxr n GLY 146 Ca -0.05 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 1xxr n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxr s ARG 147 N -1.20 0.19 0.01 1.61 0.52 -0.42 -1.28 118.95 118.39 1xxr s ARG 147 Ca 0.00 0.36 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 1xxr s ARG 147 Cb 0.00 -0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.45 1xxr s ARG 147 CO 0.00 -0.09 -0.02 -1.12 0.02 0.00 0.00 175.30 174.09 1xxr s SER 148 N 0.62 0.17 0.00 0.23 0.01 -0.28 0.43 113.70 114.88 1xxr s SER 148 Ca -0.04 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1xxr s SER 148 Cb -0.06 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.24 1xxr s SER 148 CO -0.03 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1xxr n GLY 149 N 2.04 2.71 0.15 3.44 0.00 -1.26 -0.56 105.19 111.72 1xxr n GLY 149 Ca -0.20 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.52 1xxr n GLY 149 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xxr h PHE 150 N 0.00 0.00 -3.76 1.61 0.04 -1.91 -3.35 116.94 109.57 1xxr h PHE 150 Ca 0.00 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.48 1xxr h PHE 150 Cb 0.00 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.08 1xxr h PHE 150 CO 0.00 0.44 -0.27 1.33 -0.60 0.00 0.00 178.31 179.21 1xxr n VAL 151 N -3.22 0.00 -2.83 -0.55 0.24 -1.26 0.15 118.33 110.85 1xxr n VAL 151 Ca 0.02 -1.39 -0.43 0.00 -2.04 0.00 0.00 64.34 60.51 1xxr n VAL 151 Cb 0.70 0.63 -0.04 0.00 -1.47 0.00 0.00 33.84 33.66 1xxr n VAL 151 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1xxr s VAL 152 N -2.67 4.51 0.08 3.34 1.01 -0.43 -4.35 120.40 121.88 1xxr s VAL 152 Ca 0.20 0.79 -0.13 0.00 0.00 0.00 0.00 61.98 62.83 1xxr s VAL 152 Cb 0.01 -4.41 -0.23 0.00 0.00 0.00 0.00 36.38 31.75 1xxr s VAL 152 CO 0.14 -0.77 1.20 0.44 0.00 0.00 0.00 175.10 176.10 1xxr h ASP 153 N 8.97 0.88 -5.11 3.32 3.32 -0.34 0.12 116.42 127.59 1xxr h ASP 153 Ca -0.24 -0.71 -0.05 0.00 0.02 0.00 0.00 57.03 56.05 1xxr h ASP 153 Cb 1.08 -0.27 -0.12 0.00 0.22 0.00 0.00 39.33 40.24 1xxr h ASP 153 CO 1.01 1.51 -0.07 0.00 -1.72 0.00 0.00 179.24 179.97 1xxr s ALA 154 N -3.29 -0.78 0.01 3.45 0.00 -0.87 -1.41 121.76 118.86 1xxr s ALA 154 Ca -0.09 -0.25 -0.12 0.00 0.00 0.00 0.00 51.96 51.50 1xxr s ALA 154 Cb 0.07 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.98 1xxr s ALA 154 CO 0.92 -0.70 0.24 -1.50 0.00 0.00 0.00 175.76 174.71 1xxr s ILE 155 N -3.86 0.08 0.29 0.00 2.07 -0.48 -1.30 121.20 118.00 1xxr s ILE 155 Ca 0.07 -0.65 -0.11 0.00 -1.41 0.00 0.00 60.65 58.56 1xxr s ILE 155 Cb 0.01 -0.67 0.01 0.00 0.13 0.00 0.00 42.46 41.94 1xxr s ILE 155 CO -0.07 -0.36 0.53 -0.83 -1.91 0.00 0.00 174.94 172.30 1xxr s GLY 156 N -1.60 0.76 0.02 1.50 0.00 0.98 -1.31 107.32 107.67 1xxr s GLY 156 Ca -0.11 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1xxr s GLY 156 CO 0.01 -0.67 -0.03 -1.36 0.00 0.00 0.00 173.10 171.04 1xxr s PHE 157 N -3.52 0.30 -0.08 1.90 0.40 -0.43 -2.12 117.98 114.42 1xxr s PHE 157 Ca 0.23 -0.44 -0.13 0.00 -0.60 0.00 0.00 56.93 56.00 1xxr s PHE 157 Cb -0.01 -0.20 -0.05 0.00 0.51 0.00 0.00 43.02 43.26 1xxr s PHE 157 CO 0.12 -0.14 0.33 -1.01 0.70 0.00 0.00 175.22 175.22 1xxr s HIS 158 N -1.20 3.60 0.11 0.36 3.76 0.35 -1.43 115.29 120.86 1xxr s HIS 158 Ca -0.12 0.78 0.10 0.00 -0.15 0.00 0.00 55.06 55.67 1xxr s HIS 158 Cb -0.08 -2.26 -0.04 0.00 1.11 0.00 0.00 32.58 31.31 1xxr s HIS 158 CO -0.01 0.50 -0.25 -0.51 -0.85 0.00 0.00 174.74 173.62 1xxr s LEU 159 N -0.45 2.30 0.02 0.89 1.43 0.18 -0.83 118.68 122.21 1xxr s LEU 159 Ca 0.20 -0.71 -0.27 0.00 -1.03 0.00 0.00 54.13 52.31 1xxr s LEU 159 Cb -0.15 -1.14 0.07 0.00 0.03 0.00 0.00 46.19 45.01 1xxr s LEU 159 CO 0.08 0.16 0.63 -0.55 0.23 0.00 0.00 176.35 176.90 1xxr s SER 160 N -1.93 -0.59 0.00 2.29 0.15 -0.52 -2.89 113.70 110.21 1xxr s SER 160 Ca 0.12 0.44 0.32 0.00 0.70 0.00 0.00 55.95 57.52 1xxr s SER 160 Cb -0.10 0.54 1.88 0.00 -1.71 0.00 0.00 66.02 66.64 1xxr s SER 160 CO 0.05 -0.71 2.21 0.18 1.20 0.00 0.00 173.24 176.16