#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 4.47 0.00 -2.82 2.00 -1.26 -4.92 119.66 117.13 1xxr s GLN 9 Ca 0.00 1.25 0.00 0.00 -2.00 0.00 0.00 55.36 54.61 1xxr s GLN 9 Cb 0.00 -3.49 0.00 0.00 0.80 0.00 0.00 33.01 30.32 1xxr s GLN 9 CO 0.00 -0.12 0.31 0.25 -0.50 0.00 0.00 175.29 175.22 1xxr n THR 10 N 4.13 0.00 -3.92 -0.34 -2.24 -1.26 -5.06 114.28 105.59 1xxr n THR 10 Ca 0.05 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 1xxr n THR 10 Cb 0.50 1.16 -0.09 0.00 -2.10 0.00 0.00 70.33 69.80 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 -0.18 0.14 -2.28 4.28 -1.32 -1.26 -5.05 115.64 109.96 1xxr s THR 11 Ca 0.00 -1.15 0.28 0.00 -1.21 0.00 0.00 61.69 59.61 1xxr s THR 11 Cb 0.00 -1.02 0.51 0.00 -1.51 0.00 0.00 72.50 70.48 1xxr s THR 11 CO 0.00 -0.63 1.75 0.61 -2.21 0.00 0.00 174.62 174.13 1xxr n GLY 12 N 0.57 -0.23 3.67 6.08 0.00 -1.26 -4.84 105.19 109.18 1xxr n GLY 12 Ca -0.18 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.12 5.36 1.09 2.61 2.01 -1.26 -5.08 115.64 118.25 1xxr s THR 13 Ca 0.36 0.18 -0.14 0.00 0.31 0.00 0.00 61.69 62.40 1xxr s THR 13 Cb 0.21 -3.50 0.24 0.00 0.01 0.00 0.00 72.50 69.45 1xxr s THR 13 CO 0.38 0.36 1.08 -0.94 -0.69 0.00 0.00 174.62 174.80 1xxr s SER 14 N 0.98 1.80 0.18 3.53 1.04 -1.26 -5.07 113.70 114.90 1xxr s SER 14 Ca 0.08 1.10 -0.06 0.00 0.48 0.00 0.00 55.95 57.55 1xxr s SER 14 Cb -0.13 -1.71 -0.02 0.00 0.10 0.00 0.00 66.02 64.25 1xxr s SER 14 CO 0.04 -3.63 0.23 0.00 0.98 0.00 0.00 173.24 170.85 1xxr s GLN 15 N -4.96 1.19 0.15 4.02 -2.07 -1.26 -5.11 119.66 111.62 1xxr s GLN 15 Ca 0.67 -1.37 0.00 0.00 -1.82 0.00 0.00 55.36 52.84 1xxr s GLN 15 Cb -0.18 0.33 -0.04 0.00 -1.09 0.00 0.00 33.01 32.03 1xxr s GLN 15 CO 0.59 -0.42 0.03 0.95 -1.32 0.00 0.00 175.29 175.12 1xxr s THR 16 N -4.05 0.39 0.42 3.63 -4.23 -1.26 -5.13 115.64 105.41 1xxr s THR 16 Ca 0.26 -1.94 -0.25 0.00 -1.18 0.00 0.00 61.69 58.58 1xxr s THR 16 Cb 0.05 -2.07 -0.08 0.00 1.34 0.00 0.00 72.50 71.73 1xxr s THR 16 CO 0.05 -0.48 1.23 -0.63 -0.54 0.00 0.00 174.62 174.26 1xxr s ILE 17 N -3.85 2.86 -0.08 2.99 1.01 -1.14 -4.84 121.20 118.15 1xxr s ILE 17 Ca 0.24 0.73 -0.01 0.00 0.00 0.00 0.00 60.65 61.61 1xxr s ILE 17 Cb 0.07 -3.41 0.03 0.00 0.01 0.00 0.00 42.46 39.15 1xxr s ILE 17 CO 0.03 0.07 -0.02 -1.61 0.00 0.00 0.00 174.94 173.41 1xxr s GLU 18 N -2.35 0.87 0.12 2.79 2.02 -1.26 -0.24 118.70 120.64 1xxr s GLU 18 Ca 0.59 0.00 0.06 0.00 0.02 0.00 0.00 54.97 55.64 1xxr s GLU 18 Cb -0.34 -1.13 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 1xxr s GLU 18 CO 0.43 -0.28 -0.03 0.14 0.02 0.00 0.00 175.26 175.53 1xxr s VAL 19 N 1.85 3.72 0.00 2.63 -7.23 -0.49 -4.97 120.40 115.89 1xxr s VAL 19 Ca 0.04 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1xxr s VAL 19 Cb -0.12 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.03 1xxr s VAL 19 CO -0.06 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 1xxr n GLY 20 N 0.42 -0.33 3.89 2.32 0.00 -1.26 -1.40 105.19 108.83 1xxr n GLY 20 Ca -0.11 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.38 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 3.96 -0.13 0.99 1.43 -1.26 -5.03 118.68 118.65 1xxr s LEU 21 Ca 0.00 0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 53.95 1xxr s LEU 21 Cb 0.00 -3.72 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1xxr s LEU 21 CO 0.00 -0.28 -0.04 0.26 0.23 0.00 0.00 176.35 176.52 1xxr s TRP 22 N -2.21 3.02 -1.79 0.29 0.51 -0.44 -4.92 118.94 113.40 1xxr s TRP 22 Ca 0.47 -0.17 0.00 0.00 -2.12 0.00 0.00 56.10 54.28 1xxr s TRP 22 Cb -0.11 -1.88 0.00 0.00 -0.81 0.00 0.00 33.47 30.68 1xxr s TRP 22 CO 0.31 0.11 0.00 0.41 -0.51 0.00 0.00 176.95 177.27 1xxr n GLY 23 N 3.06 0.60 3.99 0.98 0.00 -1.26 -1.07 105.19 111.49 1xxr n GLY 23 Ca -0.18 -2.15 -0.21 0.00 0.00 0.00 0.00 46.02 43.48 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 1.93 0.00 -0.02 0.00 -0.27 -4.90 107.32 104.07 1xxr s GLY 24 Ca 0.00 -1.87 0.29 0.00 0.00 0.00 0.00 44.72 43.14 1xxr s GLY 24 CO 0.00 -1.74 1.86 -1.55 0.00 0.00 0.00 173.10 171.67 1xxr n PRO 25 N -2.06 0.93 -1.04 2.90 -0.04 -1.26 -4.43 135.00 130.00 1xxr n PRO 25 Ca 0.10 -0.36 -0.30 0.00 -0.04 0.00 0.00 63.50 62.90 1xxr n PRO 25 Cb 0.62 -1.49 0.25 0.00 -0.04 0.00 0.00 33.50 32.84 1xxr n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xxr n GLY 26 N 1.23 -2.79 7.00 0.55 0.00 -1.26 -4.89 105.19 105.03 1xxr n GLY 26 Ca 0.16 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1xxr n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xxr n GLY 27 N -4.80 -0.87 3.26 -0.02 0.00 -1.26 -4.63 105.19 96.87 1xxr n GLY 27 Ca 0.15 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 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 2.78 0.49 1.61 0.01 0.98 -4.82 114.94 112.00 1xxr s ASN 28 Ca 0.00 -0.44 -0.22 0.00 -0.71 0.00 0.00 52.86 51.49 1xxr s ASN 28 Cb 0.00 -0.41 -0.06 0.00 0.41 0.00 0.00 41.25 41.19 1xxr s ASN 28 CO 0.00 0.27 1.23 0.00 -1.51 0.00 0.00 177.10 177.10 1xxr s ALA 29 N -0.46 2.91 0.03 0.60 0.00 -1.26 -1.53 121.76 122.05 1xxr s ALA 29 Ca 0.06 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 1xxr s ALA 29 Cb -0.10 -3.45 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1xxr s ALA 29 CO 0.00 -0.92 0.24 1.67 0.00 0.00 0.00 175.76 176.75 1xxr s TRP 30 N -1.46 -0.04 -0.21 0.00 1.48 -0.00 -4.93 118.94 113.78 1xxr s TRP 30 Ca 0.67 -0.08 -0.04 0.00 -1.06 0.00 0.00 56.10 55.59 1xxr s TRP 30 Cb -0.33 0.03 0.11 0.00 -1.16 0.00 0.00 33.47 32.12 1xxr s TRP 30 CO 0.39 -0.43 0.37 0.34 -4.06 0.00 0.00 176.95 173.56 1xxr s ASP 31 N -1.84 0.16 0.49 -2.66 -1.08 -1.26 -1.03 116.67 109.45 1xxr s ASP 31 Ca -0.08 0.49 0.28 0.00 -0.52 0.00 0.00 52.55 52.73 1xxr s ASP 31 Cb -0.03 1.09 1.09 0.00 -1.46 0.00 0.00 42.92 43.62 1xxr s ASP 31 CO -0.01 -0.27 1.89 0.44 0.52 0.00 0.00 175.17 177.73 1xxr h ASP 32 N 8.20 0.00 -0.56 -0.34 3.32 -1.65 -3.49 116.42 121.90 1xxr h ASP 32 Ca -0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1xxr h ASP 32 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1xxr h ASP 32 CO 0.21 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.45 1xxr n GLY 33 N 0.14 -1.74 3.42 2.75 0.00 -1.26 -4.94 105.19 103.57 1xxr n GLY 33 Ca 0.00 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.07 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 3.46 0.00 1.61 1.04 -1.26 -4.07 113.70 110.48 1xxr s SER 34 Ca 0.00 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.62 1xxr s SER 34 Cb 0.00 -0.28 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1xxr s SER 34 CO 0.00 0.14 0.00 -1.22 0.98 0.00 0.00 173.24 173.14 1xxr n TYR 35 N 0.45 0.00 0.57 5.02 4.02 0.70 -4.99 117.16 122.93 1xxr n TYR 35 Ca -0.14 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.81 1xxr n TYR 35 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 1xxr n TYR 35 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1xxr n THR 36 N 0.00 0.00 -0.53 -0.72 -2.24 -0.55 -4.83 114.28 105.41 1xxr n THR 36 Ca 0.00 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1xxr n THR 36 Cb 0.00 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1xxr n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xxr n GLY 37 N 0.99 -1.61 3.15 3.38 0.00 -1.15 -4.92 105.19 105.04 1xxr n GLY 37 Ca 0.05 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.16 1.84 -0.20 -0.61 1.01 -1.26 -0.97 121.20 118.84 1xxr s ILE 38 Ca 0.00 -0.87 -0.00 0.00 0.00 0.00 0.00 60.65 59.78 1xxr s ILE 38 Cb 0.00 -1.62 -0.12 0.00 0.01 0.00 0.00 42.46 40.72 1xxr s ILE 38 CO 0.00 0.51 -0.19 0.54 0.00 0.00 0.00 174.94 175.80 1xxr n ARG 39 N 3.86 0.49 -3.71 2.79 1.74 -0.09 -4.77 116.66 116.96 1xxr n ARG 39 Ca -0.20 0.13 -0.14 0.00 -0.77 0.00 0.00 57.85 56.87 1xxr n ARG 39 Cb 0.52 -1.37 -0.08 0.00 -1.02 0.00 0.00 32.46 30.50 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 -2.39 0.72 -0.08 5.56 2.12 -0.69 -1.09 118.70 122.85 1xxr s GLU 40 Ca -0.27 0.02 0.02 0.00 0.36 0.00 0.00 54.97 55.10 1xxr s GLU 40 Cb 0.07 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.81 1xxr s GLU 40 CO 0.44 -0.19 -0.13 0.42 -0.54 0.00 0.00 175.26 175.26 1xxr s ILE 41 N -1.06 1.27 -0.17 -3.70 1.01 0.42 -0.73 121.20 118.23 1xxr s ILE 41 Ca -0.11 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1xxr s ILE 41 Cb -0.04 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.29 1xxr s ILE 41 CO 0.05 0.39 -0.18 0.20 0.00 0.00 0.00 174.94 175.39 1xxr s ASN 42 N 0.78 3.30 0.28 3.58 0.01 0.72 -0.10 114.94 123.52 1xxr s ASN 42 Ca -0.12 -0.59 0.04 0.00 -0.71 0.00 0.00 52.86 51.48 1xxr s ASN 42 Cb -0.16 -1.51 -0.03 0.00 0.41 0.00 0.00 41.25 39.96 1xxr s ASN 42 CO 0.02 0.03 0.22 -1.48 -1.51 0.00 0.00 177.10 174.38 1xxr s LEU 43 N 1.14 1.54 0.04 0.60 0.05 -0.50 -0.22 118.68 121.32 1xxr s LEU 43 Ca 0.01 -1.63 0.01 0.00 0.05 0.00 0.00 54.13 52.58 1xxr s LEU 43 Cb -0.14 0.48 -0.03 0.00 -2.05 0.00 0.00 46.19 44.46 1xxr s LEU 43 CO -0.08 -0.98 -0.06 -0.94 -0.55 0.00 0.00 176.35 173.75 1xxr s SER 44 N -3.30 0.62 0.07 1.48 1.04 -0.96 -0.04 113.70 112.62 1xxr s SER 44 Ca 0.40 -0.60 -0.19 0.00 0.48 0.00 0.00 55.95 56.04 1xxr s SER 44 Cb 0.04 0.08 0.04 0.00 0.10 0.00 0.00 66.02 66.28 1xxr s SER 44 CO 0.22 -0.29 0.44 -1.38 0.98 0.00 0.00 173.24 173.21 1xxr s HIS 45 N -1.78 -0.29 0.00 5.02 -3.43 0.11 -1.22 115.29 113.69 1xxr s HIS 45 Ca -0.09 0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 1xxr s HIS 45 Cb -0.07 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.35 1xxr s HIS 45 CO -0.01 -0.64 0.00 0.41 -2.00 0.00 0.00 174.74 172.50 1xxr n GLY 46 N 0.22 0.29 0.63 -1.38 0.00 -1.26 -0.98 105.19 102.72 1xxr n GLY 46 Ca -0.18 0.43 0.11 0.00 0.00 0.00 0.00 46.02 46.38 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 1.91 -2.03 1.61 5.75 -1.26 -3.65 116.55 118.89 1xxr n ASP 47 Ca 0.00 -1.73 -0.03 0.00 -0.01 0.00 0.00 54.79 53.03 1xxr n ASP 47 Cb 0.00 -0.10 0.01 0.00 -1.03 0.00 0.00 41.12 40.00 1xxr n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xxr n ALA 48 N 0.48 -1.13 -2.74 2.12 0.00 -1.25 -4.16 120.51 113.83 1xxr n ALA 48 Ca 0.17 -0.56 -0.37 0.00 0.00 0.00 0.00 53.44 52.68 1xxr n ALA 48 Cb 0.38 0.38 -0.11 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.42 5.06 0.00 0.00 -1.09 -0.81 -4.30 121.20 117.63 1xxr s ILE 49 Ca 0.10 0.08 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 1xxr s ILE 49 Cb -0.02 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 1xxr s ILE 49 CO 0.04 0.33 0.00 0.61 -1.23 0.00 0.00 174.94 174.69 1xxr n GLY 50 N 4.54 -0.34 3.88 6.18 0.00 -0.36 -1.35 105.19 117.74 1xxr n GLY 50 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.59 3.57 -0.27 4.61 0.00 -1.22 -3.45 121.76 121.41 1xxr s ALA 51 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 1xxr s ALA 51 Cb 0.00 -2.42 0.16 0.00 0.00 0.00 0.00 23.12 20.86 1xxr s ALA 51 CO 0.00 0.44 0.47 0.12 0.00 0.00 0.00 175.76 176.78 1xxr s PHE 52 N -1.89 -1.17 0.01 0.00 5.36 -0.08 -2.26 117.98 117.95 1xxr s PHE 52 Ca 0.47 1.06 0.01 0.00 -0.96 0.00 0.00 56.93 57.51 1xxr s PHE 52 Cb -0.11 0.19 -0.01 0.00 -0.34 0.00 0.00 43.02 42.75 1xxr s PHE 52 CO 0.23 -0.83 -0.05 -1.12 -1.46 0.00 0.00 175.22 171.99 1xxr s SER 53 N 2.66 0.56 0.05 6.13 0.01 0.69 -3.18 113.70 120.63 1xxr s SER 53 Ca 0.15 -0.21 0.07 0.00 1.31 0.00 0.00 55.95 57.27 1xxr s SER 53 Cb -0.15 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 1xxr s SER 53 CO -0.20 -0.03 -0.20 -0.69 0.41 0.00 0.00 173.24 172.53 1xxr s VAL 54 N -0.48 1.60 -0.32 3.43 1.01 -1.26 -0.20 120.40 124.19 1xxr s VAL 54 Ca -0.02 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 60.69 1xxr s VAL 54 Cb -0.04 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.97 1xxr s VAL 54 CO -0.00 0.15 0.08 -0.63 0.00 0.00 0.00 175.10 174.70 1xxr s ILE 55 N -0.84 3.66 0.65 2.22 1.01 0.09 -1.12 121.20 126.86 1xxr s ILE 55 Ca 0.07 -1.09 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 1xxr s ILE 55 Cb -0.09 -3.03 0.07 0.00 0.01 0.00 0.00 42.46 39.42 1xxr s ILE 55 CO 0.02 -0.11 0.91 -0.31 0.00 0.00 0.00 174.94 175.45 1xxr s TYR 56 N 1.39 2.42 -0.10 3.97 1.51 0.11 -0.91 117.35 125.73 1xxr s TYR 56 Ca -0.01 -0.01 -0.03 0.00 -1.01 0.00 0.00 57.07 56.01 1xxr s TYR 56 Cb -0.19 -2.95 -0.03 0.00 -0.11 0.00 0.00 41.96 38.68 1xxr s TYR 56 CO 0.02 -1.29 0.01 0.34 -1.11 0.00 0.00 175.55 173.52 1xxr s ASP 57 N -4.56 5.32 -0.33 2.29 2.15 -0.15 -0.14 116.67 121.26 1xxr s ASP 57 Ca 0.61 0.14 -0.00 0.00 0.43 0.00 0.00 52.55 53.73 1xxr s ASP 57 Cb -0.09 -1.60 0.11 0.00 -0.30 0.00 0.00 42.92 41.05 1xxr s ASP 57 CO 0.42 0.34 0.12 -0.22 -0.17 0.00 0.00 175.17 175.66 1xxr s LEU 58 N -0.66 2.39 -1.43 -1.34 2.96 0.10 -1.48 118.68 119.22 1xxr s LEU 58 Ca 0.11 -1.82 -0.08 0.00 -0.22 0.00 0.00 54.13 52.11 1xxr s LEU 58 Cb -0.12 -0.91 0.05 0.00 0.50 0.00 0.00 46.19 45.71 1xxr s LEU 58 CO 0.02 -0.39 0.88 0.59 -1.32 0.00 0.00 176.35 176.13 1xxr n ASN 59 N 4.61 -3.36 0.00 3.68 5.03 -1.26 -2.11 115.26 121.84 1xxr n ASN 59 Ca 0.00 -0.79 0.00 0.00 0.87 0.00 0.00 54.58 54.67 1xxr n ASN 59 Cb 0.41 -4.01 0.00 0.00 -1.02 0.00 0.00 39.78 35.16 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 -1.66 0.94 3.22 7.41 0.00 -1.26 -5.05 105.19 108.78 1xxr n GLY 60 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.58 1.17 0.50 1.61 -1.52 -0.90 -5.13 119.66 114.81 1xxr s GLN 61 Ca 0.00 -0.93 -0.23 0.00 -1.95 0.00 0.00 55.36 52.25 1xxr s GLN 61 Cb 0.00 -1.27 -0.06 0.00 -0.22 0.00 0.00 33.01 31.46 1xxr s GLN 61 CO 0.00 0.31 1.29 -2.14 -0.25 0.00 0.00 175.29 174.50 1xxr s PRO 62 N -1.34 3.47 -0.13 2.91 0.02 -1.26 0.03 135.00 138.70 1xxr s PRO 62 Ca 0.05 2.08 -0.04 0.00 0.02 0.00 0.00 61.00 63.11 1xxr s PRO 62 Cb -0.09 -2.38 0.06 0.00 0.02 0.00 0.00 34.50 32.11 1xxr s PRO 62 CO 0.02 -0.87 0.15 0.12 -0.33 0.00 0.00 177.00 176.09 1xxr s PHE 63 N -1.38 -0.10 -0.19 6.54 5.36 0.80 -4.77 117.98 124.24 1xxr s PHE 63 Ca 0.67 0.28 -0.29 0.00 -0.96 0.00 0.00 56.93 56.62 1xxr s PHE 63 Cb -0.36 -0.40 -0.01 0.00 -0.34 0.00 0.00 43.02 41.91 1xxr s PHE 63 CO 0.44 -0.40 1.25 0.99 -1.46 0.00 0.00 175.22 176.03 1xxr s THR 64 N 2.26 4.30 0.82 0.12 2.01 -1.26 0.03 115.64 123.93 1xxr s THR 64 Ca 0.04 1.56 -0.12 0.00 0.31 0.00 0.00 61.69 63.48 1xxr s THR 64 Cb -0.14 -4.05 0.09 0.00 0.01 0.00 0.00 72.50 68.41 1xxr s THR 64 CO -0.08 -0.19 1.18 -0.83 -0.69 0.00 0.00 174.62 174.01 1xxr s GLY 65 N 2.02 1.60 0.60 4.40 0.00 -0.28 -4.94 107.32 110.71 1xxr s GLY 65 Ca 0.54 -0.67 -0.20 0.00 0.00 0.00 0.00 44.72 44.39 1xxr s GLY 65 CO 0.15 -0.16 1.29 -1.05 0.00 0.00 0.00 173.10 173.33 1xxr n PRO 66 N -3.37 1.36 -3.08 2.90 -0.02 -1.26 -4.74 135.00 126.79 1xxr n PRO 66 Ca 0.08 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.78 1xxr n PRO 66 Cb 0.61 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 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 -1.35 4.87 -0.40 3.45 -4.23 -1.26 -4.56 115.64 112.16 1xxr s THR 67 Ca 0.77 0.44 0.08 0.00 -1.18 0.00 0.00 61.69 61.80 1xxr s THR 67 Cb -0.40 -3.72 0.25 0.00 1.34 0.00 0.00 72.50 69.97 1xxr s THR 67 CO 0.45 -0.40 0.52 1.41 -0.54 0.00 0.00 174.62 176.06 1xxr n HIS 68 N -1.03 -0.29 0.35 3.99 8.25 -1.19 -4.98 115.22 120.32 1xxr n HIS 68 Ca 0.01 -3.56 0.14 0.00 -0.26 0.00 0.00 57.72 54.05 1xxr n HIS 68 Cb 0.54 -0.33 0.53 0.00 1.12 0.00 0.00 29.99 31.85 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 4.08 0.00 0.00 -0.41 0.13 -1.87 -0.18 132.00 133.76 1xxr h PRO 69 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1xxr h PRO 69 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1xxr h PRO 69 CO 0.47 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.65 1xxr n GLY 70 N 0.28 -1.16 0.73 1.56 0.00 -1.26 -3.37 105.19 101.97 1xxr n GLY 70 Ca 0.02 -1.15 0.05 0.00 0.00 0.00 0.00 46.02 44.93 1xxr n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xxr n ASN 71 N -1.31 1.24 -4.36 1.61 3.02 0.46 -4.98 115.26 110.94 1xxr n ASN 71 Ca 0.00 -2.74 -0.44 0.00 -0.03 0.00 0.00 54.58 51.37 1xxr n ASN 71 Cb 0.00 -0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 38.73 1xxr n ASN 71 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1xxr s GLU 72 N -1.46 2.94 0.00 3.52 2.56 -1.12 -4.96 118.70 120.18 1xxr s GLU 72 Ca 0.27 -1.43 0.28 0.00 0.00 0.00 0.00 54.97 54.09 1xxr s GLU 72 Cb 0.27 -4.13 1.11 0.00 2.00 0.00 0.00 34.13 33.39 1xxr s GLU 72 CO -0.06 -1.08 1.83 -0.35 -0.56 0.00 0.00 175.26 175.04 1xxr n PRO 73 N 5.18 0.11 0.00 4.30 -0.04 -1.26 -4.13 135.00 139.16 1xxr n PRO 73 Ca -0.12 -0.02 0.13 0.00 -0.04 0.00 0.00 63.50 63.44 1xxr n PRO 73 Cb 0.43 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.68 1xxr n PRO 73 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1xxr n SER 74 N -1.43 1.33 -4.76 3.54 3.41 -1.26 -4.98 113.62 109.47 1xxr n SER 74 Ca 0.08 -1.10 -0.31 0.00 -0.26 0.00 0.00 58.87 57.28 1xxr n SER 74 Cb 0.32 0.20 0.10 0.00 -0.26 0.00 0.00 64.21 64.57 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 -2.45 2.53 -0.02 7.33 0.08 -1.26 -5.00 117.98 119.20 1xxr s PHE 75 Ca 0.24 1.56 -0.30 0.00 0.12 0.00 0.00 56.93 58.55 1xxr s PHE 75 Cb 0.19 -3.06 -0.03 0.00 -0.57 0.00 0.00 43.02 39.55 1xxr s PHE 75 CO 0.52 -1.85 1.08 0.21 -0.10 0.00 0.00 175.22 175.07 1xxr s LYS 76 N -4.89 4.46 0.08 0.44 2.47 -0.15 -4.74 119.74 117.41 1xxr s LYS 76 Ca 0.61 1.54 -0.19 0.00 -1.56 0.00 0.00 55.97 56.37 1xxr s LYS 76 Cb -0.17 -3.47 -0.07 0.00 -1.46 0.00 0.00 37.83 32.66 1xxr s LYS 76 CO 0.56 -0.23 0.58 0.95 0.16 0.00 0.00 175.35 177.37 1xxr s THR 77 N 1.44 4.72 -0.01 3.43 -4.23 -1.26 -0.71 115.64 119.03 1xxr s THR 77 Ca 0.54 1.23 0.02 0.00 -1.18 0.00 0.00 61.69 62.29 1xxr s THR 77 Cb -0.23 -3.90 -0.00 0.00 1.34 0.00 0.00 72.50 69.70 1xxr s THR 77 CO 0.25 0.54 -0.06 -0.69 -0.54 0.00 0.00 174.62 174.12 1xxr s VAL 78 N -1.12 0.52 -0.18 2.29 1.01 0.94 -4.97 120.40 118.89 1xxr s VAL 78 Ca 0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 1xxr s VAL 78 Cb -0.20 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.73 1xxr s VAL 78 CO 0.19 0.16 -0.15 -0.75 0.00 0.00 0.00 175.10 174.56 1xxr s LYS 79 N 0.03 3.17 -0.33 2.72 2.20 -1.26 -1.42 119.74 124.86 1xxr s LYS 79 Ca -0.00 -0.75 -0.05 0.00 -0.36 0.00 0.00 55.97 54.81 1xxr s LYS 79 Cb -0.05 -2.68 0.04 0.00 -1.51 0.00 0.00 37.83 33.63 1xxr s LYS 79 CO -0.00 -0.11 0.07 0.42 -0.36 0.00 0.00 175.35 175.37 1xxr s ILE 80 N 1.11 3.51 -0.35 5.43 1.01 0.86 -4.99 121.20 127.78 1xxr s ILE 80 Ca 0.00 -1.22 -0.10 0.00 0.00 0.00 0.00 60.65 59.33 1xxr s ILE 80 Cb -0.14 -3.00 0.02 0.00 0.01 0.00 0.00 42.46 39.35 1xxr s ILE 80 CO -0.05 -0.16 0.17 -0.89 0.00 0.00 0.00 174.94 174.01 1xxr s THR 81 N 1.35 4.44 0.25 2.92 2.01 -1.26 -0.44 115.64 124.91 1xxr s THR 81 Ca -0.03 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.02 1xxr s THR 81 Cb -0.20 -3.41 -0.09 0.00 0.01 0.00 0.00 72.50 68.82 1xxr s THR 81 CO 0.01 -0.12 0.75 -0.76 -0.69 0.00 0.00 174.62 173.82 1xxr s LEU 82 N 1.55 4.30 -1.39 4.42 1.43 -0.25 -4.95 118.68 123.79 1xxr s LEU 82 Ca 0.02 1.45 -0.15 0.00 -1.03 0.00 0.00 54.13 54.43 1xxr s LEU 82 Cb -0.18 -3.70 0.01 0.00 0.03 0.00 0.00 46.19 42.35 1xxr s LEU 82 CO 0.06 -0.01 2.24 -0.67 0.23 0.00 0.00 176.35 178.20 1xxr n ASP 83 N 0.56 4.04 -4.76 2.29 4.64 -1.26 -4.86 116.55 117.20 1xxr n ASP 83 Ca -0.01 -2.80 -0.41 0.00 -1.38 0.00 0.00 54.79 50.19 1xxr n ASP 83 Cb 0.51 -1.59 -0.03 0.00 -1.04 0.00 0.00 41.12 38.97 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 3.33 3.25 -2.69 -0.67 5.36 -1.26 -0.61 117.98 124.69 1xxr s PHE 84 Ca 0.49 1.51 0.26 0.00 -0.96 0.00 0.00 56.93 58.23 1xxr s PHE 84 Cb 0.14 -3.54 0.65 0.00 -0.34 0.00 0.00 43.02 39.94 1xxr s PHE 84 CO -0.07 -1.39 1.52 -0.35 -1.46 0.00 0.00 175.22 173.47 1xxr n PRO 85 N 1.04 1.92 0.13 10.12 -0.04 -1.26 -4.88 135.00 142.03 1xxr n PRO 85 Ca -0.00 -1.37 0.01 0.00 -0.04 0.00 0.00 63.50 62.10 1xxr n PRO 85 Cb 0.43 -1.47 0.31 0.00 -0.04 0.00 0.00 33.50 32.73 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 3.34 0.16 -3.24 3.54 2.35 -1.81 -3.42 115.58 116.50 1xxr h ASN 86 Ca 0.00 -0.05 -0.64 0.00 -0.55 0.00 0.00 56.30 55.06 1xxr h ASN 86 Cb 0.72 -0.04 -0.16 0.00 0.05 0.00 0.00 38.32 38.89 1xxr h ASN 86 CO 0.00 0.49 -0.58 -0.70 -1.65 0.00 0.00 177.43 174.98 1xxr s GLU 87 N -4.30 3.66 0.07 0.81 2.12 0.22 -4.95 118.70 116.33 1xxr s GLU 87 Ca -0.04 -0.36 -0.17 0.00 0.36 0.00 0.00 54.97 54.76 1xxr s GLU 87 Cb 0.14 -3.07 0.03 0.00 0.26 0.00 0.00 34.13 31.49 1xxr s GLU 87 CO 0.75 0.41 0.40 -0.59 -0.54 0.00 0.00 175.26 175.69 1xxr s PHE 88 N -0.05 -0.22 0.23 5.30 -0.12 -1.26 -4.30 117.98 117.55 1xxr s PHE 88 Ca 0.05 0.08 -0.30 0.00 -0.05 0.00 0.00 56.93 56.71 1xxr s PHE 88 Cb -0.12 0.21 -0.09 0.00 -0.63 0.00 0.00 43.02 42.39 1xxr s PHE 88 CO 0.01 -0.61 1.38 -0.51 -0.05 0.00 0.00 175.22 175.44 1xxr s LEU 89 N -2.28 4.40 0.00 -1.99 1.43 -1.26 -1.79 118.68 117.19 1xxr s LEU 89 Ca -0.02 2.54 0.02 0.00 -1.03 0.00 0.00 54.13 55.64 1xxr s LEU 89 Cb 0.00 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.60 1xxr s LEU 89 CO -0.06 -0.62 0.31 1.33 0.23 0.00 0.00 176.35 177.54 1xxr n VAL 90 N 2.45 0.00 -3.62 -1.59 0.24 0.33 -4.79 118.33 111.35 1xxr n VAL 90 Ca 0.06 -0.47 -0.09 0.00 -2.04 0.00 0.00 64.34 61.81 1xxr n VAL 90 Cb 0.41 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.75 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 -0.80 -0.38 -0.04 -1.34 0.15 -0.83 -0.23 113.70 110.24 1xxr s SER 91 Ca 0.02 0.60 -0.00 0.00 0.70 0.00 0.00 55.95 57.27 1xxr s SER 91 Cb 0.02 0.57 0.03 0.00 -1.71 0.00 0.00 66.02 64.92 1xxr s SER 91 CO 0.07 -0.21 -0.00 -0.69 1.20 0.00 0.00 173.24 173.61 1xxr s VAL 92 N -0.35 0.26 0.27 4.45 1.01 -1.13 -0.97 120.40 123.95 1xxr s VAL 92 Ca 0.02 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1xxr s VAL 92 Cb -0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1xxr s VAL 92 CO -0.04 0.19 0.18 -0.94 0.00 0.00 0.00 175.10 174.48 1xxr s SER 93 N 1.30 1.07 0.00 3.32 1.04 -0.46 -0.46 113.70 119.51 1xxr s SER 93 Ca -0.06 -1.54 0.00 0.00 0.48 0.00 0.00 55.95 54.83 1xxr s SER 93 Cb -0.13 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1xxr s SER 93 CO -0.02 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1xxr n GLY 94 N -0.48 -0.70 2.96 7.32 0.00 -0.42 0.09 105.19 113.96 1xxr n GLY 94 Ca 0.03 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 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 0.44 -0.03 1.61 2.02 -0.37 -1.19 117.35 116.83 1xxr s TYR 95 Ca 0.00 -0.10 0.07 0.00 -0.37 0.00 0.00 57.07 56.67 1xxr s TYR 95 Cb 0.00 -0.28 -0.02 0.00 -0.40 0.00 0.00 41.96 41.26 1xxr s TYR 95 CO 0.00 -0.01 -0.24 0.95 -1.57 0.00 0.00 175.55 174.68 1xxr s THR 96 N -0.16 1.89 -0.05 -0.71 -4.23 -0.16 -0.18 115.64 112.03 1xxr s THR 96 Ca 0.01 -1.01 -0.31 0.00 -1.18 0.00 0.00 61.69 59.20 1xxr s THR 96 Cb -0.02 -1.57 0.13 0.00 1.34 0.00 0.00 72.50 72.37 1xxr s THR 96 CO -0.00 0.53 1.36 -0.83 -0.54 0.00 0.00 174.62 175.14 1xxr s GLY 97 N -0.44 -0.39 0.32 3.99 0.00 -0.55 -0.16 107.32 110.09 1xxr s GLY 97 Ca 0.06 0.66 -0.28 0.00 0.00 0.00 0.00 44.72 45.16 1xxr s GLY 97 CO 0.00 1.51 1.08 0.14 0.00 0.00 0.00 173.10 175.83 1xxr s VAL 98 N -2.17 3.58 -0.34 1.40 1.01 -1.26 -0.78 120.40 121.84 1xxr s VAL 98 Ca 0.18 1.46 -0.00 0.00 0.00 0.00 0.00 61.98 63.62 1xxr s VAL 98 Cb 0.05 -3.88 0.08 0.00 0.00 0.00 0.00 36.38 32.63 1xxr s VAL 98 CO -0.05 0.25 0.06 -0.22 0.00 0.00 0.00 175.10 175.14 1xxr s LEU 99 N -1.84 4.46 0.25 3.92 2.96 -1.26 -4.95 118.68 122.22 1xxr s LEU 99 Ca 0.49 -1.72 -0.08 0.00 -0.22 0.00 0.00 54.13 52.60 1xxr s LEU 99 Cb -0.29 -1.71 0.43 0.00 0.50 0.00 0.00 46.19 45.13 1xxr s LEU 99 CO 0.36 -0.37 1.61 0.00 -1.32 0.00 0.00 176.35 176.64 1xxr h ALA 100 N 7.90 0.73 0.00 5.97 0.00 -1.97 -1.43 119.26 130.45 1xxr h ALA 100 Ca -0.14 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xxr h ALA 100 Cb 1.05 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1xxr h ALA 100 CO 0.57 -0.43 0.00 2.89 0.00 0.00 0.00 179.25 182.28 1xxr n ARG 101 N -5.43 0.03 0.14 0.00 1.85 -1.26 -1.40 116.66 110.60 1xxr n ARG 101 Ca 0.14 0.33 0.05 0.00 -1.00 0.00 0.00 57.85 57.37 1xxr n ARG 101 Cb 0.48 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.43 1xxr n ARG 101 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 1xxr h LEU 102 N 0.00 0.00 -1.17 2.89 4.07 -1.70 -3.48 115.31 115.93 1xxr h LEU 102 Ca 0.00 0.00 -0.40 0.00 0.08 0.00 0.00 57.88 57.56 1xxr h LEU 102 Cb 0.07 0.00 0.11 0.00 1.08 0.00 0.00 40.66 41.92 1xxr h LEU 102 CO 0.00 0.35 -0.73 0.00 -1.08 0.00 0.00 178.44 176.98 1xxr n ALA 103 N -2.21 -1.55 -0.00 1.53 0.00 -0.49 -4.90 120.51 112.88 1xxr n ALA 103 Ca 0.01 0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.64 1xxr n ALA 103 Cb 0.68 -4.21 -0.01 0.00 0.00 0.00 0.00 19.45 15.92 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 -4.66 0.05 -1.07 0.00 -2.24 -1.26 -5.02 114.28 100.08 1xxr n THR 104 Ca -0.09 -0.03 -0.02 0.00 -2.27 0.00 0.00 64.05 61.64 1xxr n THR 104 Cb 0.59 -0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 67.91 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 3.04 0.52 3.50 3.38 0.00 -1.26 -5.01 105.19 109.36 1xxr n GLY 105 Ca -0.01 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.33 2.17 0.51 1.61 1.02 -1.26 -4.94 119.74 117.52 1xxr s LYS 106 Ca 0.00 -0.94 -0.22 0.00 0.02 0.00 0.00 55.97 54.83 1xxr s LYS 106 Cb 0.00 -2.27 -0.06 0.00 -0.52 0.00 0.00 37.83 34.98 1xxr s LYS 106 CO 0.00 0.55 1.31 -0.51 -0.92 0.00 0.00 175.35 175.78 1xxr s ASP 107 N -1.56 5.56 0.29 2.83 1.01 -1.26 -4.43 116.67 119.11 1xxr s ASP 107 Ca 0.16 2.66 0.03 0.00 0.71 0.00 0.00 52.55 56.12 1xxr s ASP 107 Cb -0.11 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 1xxr s ASP 107 CO 0.07 -1.36 0.18 0.68 0.21 0.00 0.00 175.17 174.95 1xxr s VAL 108 N -1.35 0.19 -0.55 -1.27 -7.23 0.04 -1.69 120.40 108.55 1xxr s VAL 108 Ca 0.68 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.59 1xxr s VAL 108 Cb -0.38 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.09 1xxr s VAL 108 CO 0.45 0.00 1.07 -0.63 -0.31 0.00 0.00 175.10 175.68 1xxr s ILE 109 N -3.68 4.22 0.05 -0.62 -1.09 0.13 -1.48 121.20 118.73 1xxr s ILE 109 Ca 0.37 0.69 -0.08 0.00 -2.23 0.00 0.00 60.65 59.40 1xxr s ILE 109 Cb 0.05 -4.62 -0.31 0.00 -1.58 0.00 0.00 42.46 36.00 1xxr s ILE 109 CO 0.19 -1.17 1.07 0.03 -1.23 0.00 0.00 174.94 173.82 1xxr h ARG 110 N 9.38 0.36 -3.41 2.79 2.47 -0.84 -2.15 114.38 122.97 1xxr h ARG 110 Ca -0.25 -0.62 -0.10 0.00 -1.26 0.00 0.00 59.98 57.75 1xxr h ARG 110 Cb 1.07 0.23 -0.17 0.00 -1.65 0.00 0.00 29.97 29.45 1xxr h ARG 110 CO 1.13 1.29 -0.30 0.45 0.56 0.00 0.00 179.97 183.10 1xxr s SER 111 N -7.29 -0.06 -0.01 7.04 0.15 -1.05 -1.42 113.70 111.05 1xxr s SER 111 Ca -0.06 -0.28 -0.03 0.00 0.70 0.00 0.00 55.95 56.28 1xxr s SER 111 Cb 0.06 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1xxr s SER 111 CO 0.90 -0.61 0.07 -0.76 1.20 0.00 0.00 173.24 174.04 1xxr s LEU 112 N -2.13 1.79 -0.03 3.45 1.02 -1.02 -1.23 118.68 120.52 1xxr s LEU 112 Ca -0.04 -0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.06 1xxr s LEU 112 Cb -0.01 0.31 0.02 0.00 0.02 0.00 0.00 46.19 46.53 1xxr s LEU 112 CO -0.04 -0.15 -0.03 -0.89 0.02 0.00 0.00 176.35 175.26 1xxr s THR 113 N -0.55 0.37 -0.20 5.49 2.01 0.11 -0.80 115.64 122.08 1xxr s THR 113 Ca -0.06 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 1xxr s THR 113 Cb -0.04 -0.40 0.01 0.00 0.01 0.00 0.00 72.50 72.07 1xxr s THR 113 CO 0.00 0.17 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.61 1xxr s PHE 114 N 0.73 2.85 -0.18 4.92 0.08 0.52 -1.36 117.98 125.54 1xxr s PHE 114 Ca -0.08 -1.34 -0.01 0.00 0.12 0.00 0.00 56.93 55.61 1xxr s PHE 114 Cb -0.12 -2.00 -0.00 0.00 -0.57 0.00 0.00 43.02 40.34 1xxr s PHE 114 CO -0.01 -0.69 -0.12 0.21 -0.10 0.00 0.00 175.22 174.51 1xxr s LYS 115 N 1.36 3.25 0.50 0.44 2.20 -0.14 0.83 119.74 128.17 1xxr s LYS 115 Ca 0.05 -0.71 0.06 0.00 -0.36 0.00 0.00 55.97 55.01 1xxr s LYS 115 Cb -0.14 -2.76 0.06 0.00 -1.51 0.00 0.00 37.83 33.48 1xxr s LYS 115 CO -0.09 -0.09 0.48 0.25 -0.36 0.00 0.00 175.35 175.54 1xxr n THR 116 N 4.41 0.00 1.29 3.43 -2.24 0.19 -0.51 114.28 120.85 1xxr n THR 116 Ca -0.19 -1.86 0.12 0.00 -2.27 0.00 0.00 64.05 59.85 1xxr n THR 116 Cb 0.51 -0.25 0.65 0.00 -2.10 0.00 0.00 70.33 69.15 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 -2.04 0.00 -0.08 3.42 6.94 -0.74 -3.63 115.26 119.13 1xxr n ASN 117 Ca 0.04 -0.34 -0.12 0.00 -0.02 0.00 0.00 54.58 54.14 1xxr n ASN 117 Cb 0.55 -0.17 -0.07 0.00 -2.36 0.00 0.00 39.78 37.73 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 -1.17 0.38 -3.84 -3.83 4.76 -1.26 -5.04 118.16 108.15 1xxr n LYS 118 Ca 0.14 0.10 -0.06 0.00 -2.87 0.00 0.00 58.31 55.62 1xxr n LYS 118 Cb 0.15 -1.28 0.03 0.00 -1.84 0.00 0.00 35.03 32.08 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 -3.06 0.87 -4.78 1.97 2.85 -1.24 -5.16 118.16 109.62 1xxr n LYS 119 Ca -0.28 -1.82 -0.33 0.00 -1.05 0.00 0.00 58.31 54.83 1xxr n LYS 119 Cb 0.78 2.37 -0.14 0.00 -0.65 0.00 0.00 35.03 37.39 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 -2.07 3.17 -0.22 0.58 2.01 -1.26 -0.64 115.64 117.20 1xxr s THR 120 Ca 0.20 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 1xxr s THR 120 Cb -0.04 -2.30 -0.00 0.00 0.01 0.00 0.00 72.50 70.17 1xxr s THR 120 CO 0.08 0.55 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.18 1xxr s TYR 121 N -0.08 2.93 0.00 4.92 1.51 0.24 -4.99 117.35 121.88 1xxr s TYR 121 Ca -0.02 -1.08 0.00 0.00 -1.01 0.00 0.00 57.07 54.96 1xxr s TYR 121 Cb -0.14 -2.07 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 1xxr s TYR 121 CO 0.04 -0.60 0.00 0.41 -1.11 0.00 0.00 175.55 174.29 1xxr n GLY 122 N 4.76 -0.27 3.77 0.71 0.00 -1.26 -0.36 105.19 112.54 1xxr n GLY 122 Ca -0.19 -2.23 -0.40 0.00 0.00 0.00 0.00 46.02 43.20 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 4.21 0.08 1.61 0.04 -1.26 -4.97 135.00 134.71 1xxr s PRO 123 Ca 0.00 2.10 0.03 0.00 0.04 0.00 0.00 61.00 63.17 1xxr s PRO 123 Cb 0.00 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 1xxr s PRO 123 CO 0.00 -0.27 0.10 0.71 0.04 0.00 0.00 177.00 177.58 1xxr s TYR 124 N -1.23 3.23 0.00 0.56 2.02 0.02 -4.96 117.35 116.99 1xxr s TYR 124 Ca 0.52 0.09 0.00 0.00 -0.37 0.00 0.00 57.07 57.31 1xxr s TYR 124 Cb -0.37 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 1xxr s TYR 124 CO 0.48 0.53 0.00 0.41 -1.57 0.00 0.00 175.55 175.40 1xxr n GLY 125 N 0.37 -0.48 3.25 0.71 0.00 -1.26 -2.45 105.19 105.34 1xxr n GLY 125 Ca -0.08 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 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 3.25 -1.23 1.61 2.47 -0.51 -4.88 119.74 120.45 1xxr s LYS 126 Ca 0.00 -0.70 -0.19 0.00 -1.56 0.00 0.00 55.97 53.52 1xxr s LYS 126 Cb 0.00 -2.84 0.07 0.00 -1.46 0.00 0.00 37.83 33.59 1xxr s LYS 126 CO 0.00 -0.18 1.67 -1.21 0.16 0.00 0.00 175.35 175.79 1xxr s GLU 127 N 1.36 3.90 -0.06 4.03 2.02 -1.26 -3.71 118.70 124.98 1xxr s GLU 127 Ca 0.05 -1.81 -0.05 0.00 0.02 0.00 0.00 54.97 53.18 1xxr s GLU 127 Cb -0.14 -5.49 0.02 0.00 0.10 0.00 0.00 34.13 28.62 1xxr s GLU 127 CO -0.06 -2.24 0.16 -2.00 0.02 0.00 0.00 175.26 171.14 1xxr s GLU 128 N 4.36 0.18 0.00 1.61 2.12 -1.26 -5.09 118.70 120.62 1xxr s GLU 128 Ca 0.52 0.22 0.00 0.00 0.36 0.00 0.00 54.97 56.07 1xxr s GLU 128 Cb 0.03 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.50 1xxr s GLU 128 CO 0.04 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 1xxr n GLY 129 N 3.01 0.39 3.54 -1.50 0.00 -1.26 -4.45 105.19 104.93 1xxr n GLY 129 Ca -0.13 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 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 4.96 0.69 2.61 2.01 0.77 -4.88 115.64 121.80 1xxr s THR 130 Ca 0.00 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.94 1xxr s THR 130 Cb 0.00 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.17 1xxr s THR 130 CO 0.00 0.29 1.06 -2.16 -0.69 0.00 0.00 174.62 173.12 1xxr s PRO 131 N 1.66 2.88 0.04 4.92 0.04 -1.26 -0.99 135.00 142.29 1xxr s PRO 131 Ca 0.07 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 61.99 1xxr s PRO 131 Cb -0.16 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1xxr s PRO 131 CO 0.08 -1.15 0.31 -0.59 0.04 0.00 0.00 177.00 175.69 1xxr s PHE 132 N -2.94 -0.11 -0.13 0.56 -0.12 -0.34 -4.89 117.98 110.01 1xxr s PHE 132 Ca 0.59 -0.02 -0.25 0.00 -0.05 0.00 0.00 56.93 57.20 1xxr s PHE 132 Cb -0.15 0.10 0.06 0.00 -0.63 0.00 0.00 43.02 42.40 1xxr s PHE 132 CO 0.53 -0.50 0.61 -1.54 -0.05 0.00 0.00 175.22 174.26 1xxr s SER 133 N -2.06 -0.60 -0.51 1.98 1.04 -1.26 -1.30 113.70 110.99 1xxr s SER 133 Ca -0.05 0.90 0.04 0.00 0.48 0.00 0.00 55.95 57.31 1xxr s SER 133 Cb -0.01 0.86 0.16 0.00 0.10 0.00 0.00 66.02 67.13 1xxr s SER 133 CO -0.03 -0.40 0.35 -0.22 0.98 0.00 0.00 173.24 173.91 1xxr s LEU 134 N -0.49 2.84 0.23 2.42 1.98 0.40 -4.99 118.68 121.07 1xxr s LEU 134 Ca -0.06 -3.12 -0.30 0.00 -2.89 0.00 0.00 54.13 47.76 1xxr s LEU 134 Cb -0.03 -0.99 -0.09 0.00 0.66 0.00 0.00 46.19 45.74 1xxr s LEU 134 CO 0.05 -0.18 1.02 -2.16 -1.89 0.00 0.00 176.35 173.19 1xxr s PRO 135 N -0.26 4.73 -0.18 0.98 0.04 -1.26 -2.85 135.00 136.20 1xxr s PRO 135 Ca 0.25 1.62 -0.01 0.00 0.04 0.00 0.00 61.00 62.90 1xxr s PRO 135 Cb -0.09 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 1xxr s PRO 135 CO -0.11 0.31 -0.11 0.42 0.04 0.00 0.00 177.00 177.55 1xxr s ILE 136 N -0.87 2.96 -0.17 0.56 1.01 0.69 -4.97 121.20 120.41 1xxr s ILE 136 Ca 0.44 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.49 1xxr s ILE 136 Cb -0.28 -2.29 -0.22 0.00 0.01 0.00 0.00 42.46 39.68 1xxr s ILE 136 CO 0.35 0.49 0.16 -0.62 0.00 0.00 0.00 174.94 175.32 1xxr n GLU 137 N 4.25 0.69 -3.73 2.79 1.02 -1.26 -4.79 120.64 119.60 1xxr n GLU 137 Ca -0.19 0.17 -0.12 0.00 -0.02 0.00 0.00 57.16 57.00 1xxr n GLU 137 Cb 0.51 -1.62 -0.13 0.00 -0.02 0.00 0.00 31.44 30.18 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 -6.36 -0.29 0.00 1.62 2.47 -1.26 -5.12 114.94 106.00 1xxr s ASN 138 Ca -0.21 0.56 0.00 0.00 0.42 0.00 0.00 52.86 53.63 1xxr s ASN 138 Cb 0.07 0.44 0.00 0.00 -1.45 0.00 0.00 41.25 40.32 1xxr s ASN 138 CO 0.74 -0.16 0.00 0.61 -3.72 0.00 0.00 177.10 174.56 1xxr n GLY 139 N 4.18 1.39 3.02 1.21 0.00 -1.26 -4.98 105.19 108.75 1xxr n GLY 139 Ca -0.25 -2.21 -0.10 0.00 0.00 0.00 0.00 46.02 43.46 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 2.28 -0.22 0.99 1.43 0.12 -4.95 118.68 118.34 1xxr s LEU 140 Ca 0.00 -0.59 -0.27 0.00 -1.03 0.00 0.00 54.13 52.24 1xxr s LEU 140 Cb 0.00 0.04 0.00 0.00 0.03 0.00 0.00 46.19 46.26 1xxr s LEU 140 CO 0.00 -0.32 0.94 -0.63 0.23 0.00 0.00 176.35 176.57 1xxr s ILE 141 N -1.82 4.77 -0.48 -0.59 1.01 -1.26 -1.05 121.20 121.77 1xxr s ILE 141 Ca -0.11 1.83 0.06 0.00 0.00 0.00 0.00 60.65 62.43 1xxr s ILE 141 Cb -0.07 -4.22 0.17 0.00 0.01 0.00 0.00 42.46 38.34 1xxr s ILE 141 CO -0.02 -0.10 1.14 1.33 0.00 0.00 0.00 174.94 177.29 1xxr n VAL 142 N 5.17 1.03 0.00 2.92 0.24 0.10 -4.54 118.33 123.26 1xxr n VAL 142 Ca 0.09 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.36 1xxr n VAL 142 Cb 0.47 0.48 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 1xxr n VAL 142 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xxr n GLY 143 N 0.01 0.98 3.52 7.63 0.00 -1.23 -0.22 105.19 115.88 1xxr n GLY 143 Ca 0.06 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 1xxr n GLY 143 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xxr s PHE 144 N -2.00 2.53 0.18 1.61 0.08 -1.26 -0.46 117.98 118.66 1xxr s PHE 144 Ca 0.00 -0.27 -0.10 0.00 0.12 0.00 0.00 56.93 56.69 1xxr s PHE 144 Cb 0.00 -1.25 -0.01 0.00 -0.57 0.00 0.00 43.02 41.20 1xxr s PHE 144 CO 0.00 0.50 0.33 -1.59 -0.10 0.00 0.00 175.22 174.36 1xxr s LYS 145 N -2.73 1.25 0.00 0.44 -2.85 -0.71 -1.47 119.74 113.67 1xxr s LYS 145 Ca 0.23 -1.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.01 1xxr s LYS 145 Cb -0.09 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 1xxr s LYS 145 CO 0.13 -0.48 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1xxr n GLY 146 N -0.26 -0.56 2.86 0.59 0.00 -0.19 0.11 105.19 107.74 1xxr n GLY 146 Ca -0.06 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.36 0.01 0.01 1.61 0.52 -0.27 -0.82 118.95 118.64 1xxr s ARG 147 Ca 0.00 0.01 -0.01 0.00 -0.52 0.00 0.00 55.73 55.21 1xxr s ARG 147 Cb 0.00 -0.03 -0.01 0.00 0.52 0.00 0.00 34.95 35.43 1xxr s ARG 147 CO 0.00 -0.01 0.01 -1.12 0.02 0.00 0.00 175.30 174.20 1xxr s SER 148 N 0.10 0.11 0.00 0.23 0.01 -0.58 0.14 113.70 113.71 1xxr s SER 148 Ca -0.01 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1xxr s SER 148 Cb -0.01 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1xxr s SER 148 CO -0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1xxr n GLY 149 N 2.17 2.82 0.20 3.44 0.00 -1.26 -0.01 105.19 112.54 1xxr n GLY 149 Ca -0.19 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 1xxr n GLY 149 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xxr h PHE 150 N 0.00 0.78 -2.58 1.61 3.57 -1.94 -3.23 116.94 115.16 1xxr h PHE 150 Ca 0.00 -0.33 -0.04 0.00 3.53 0.00 0.00 57.97 61.13 1xxr h PHE 150 Cb 0.00 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 1xxr h PHE 150 CO 0.00 1.12 -0.03 1.33 -2.23 0.00 0.00 178.31 178.49 1xxr n VAL 151 N -3.89 0.00 -2.58 1.41 0.24 -1.26 -0.40 118.33 111.84 1xxr n VAL 151 Ca -0.05 -0.18 -0.43 0.00 -2.04 0.00 0.00 64.34 61.64 1xxr n VAL 151 Cb 0.71 0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 33.13 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 -1.91 4.38 0.01 3.34 1.01 -0.46 -4.39 120.40 122.38 1xxr s VAL 152 Ca 0.02 1.57 -0.08 0.00 0.00 0.00 0.00 61.98 63.49 1xxr s VAL 152 Cb 0.00 -4.37 -0.30 0.00 0.00 0.00 0.00 36.38 31.71 1xxr s VAL 152 CO 0.02 -0.53 0.90 0.44 0.00 0.00 0.00 175.10 175.92 1xxr h ASP 153 N 8.52 0.55 -5.03 3.32 3.32 -0.62 0.41 116.42 126.90 1xxr h ASP 153 Ca -0.22 -0.69 -0.03 0.00 0.02 0.00 0.00 57.03 56.10 1xxr h ASP 153 Cb 1.07 -0.18 -0.12 0.00 0.22 0.00 0.00 39.33 40.32 1xxr h ASP 153 CO 1.04 1.57 0.11 0.00 -1.72 0.00 0.00 179.24 180.24 1xxr s ALA 154 N -2.61 -1.36 0.01 3.45 0.00 -0.92 -1.11 121.76 119.21 1xxr s ALA 154 Ca -0.10 0.31 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 1xxr s ALA 154 Cb 0.06 0.81 -0.00 0.00 0.00 0.00 0.00 23.12 23.98 1xxr s ALA 154 CO 0.88 -0.72 0.10 -1.50 0.00 0.00 0.00 175.76 174.53 1xxr s ILE 155 N -3.72 0.09 0.23 0.00 2.07 -0.23 -1.12 121.20 118.52 1xxr s ILE 155 Ca 0.01 -0.78 -0.11 0.00 -1.41 0.00 0.00 60.65 58.36 1xxr s ILE 155 Cb -0.00 -0.46 -0.01 0.00 0.13 0.00 0.00 42.46 42.12 1xxr s ILE 155 CO -0.12 -0.43 0.42 -0.83 -1.91 0.00 0.00 174.94 172.07 1xxr s GLY 156 N -1.50 0.60 0.02 1.50 0.00 0.12 -1.32 107.32 106.74 1xxr s GLY 156 Ca -0.14 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.66 1xxr s GLY 156 CO 0.00 -0.72 -0.07 -1.36 0.00 0.00 0.00 173.10 170.96 1xxr s PHE 157 N -4.02 0.61 -0.09 1.90 0.40 -0.49 -1.73 117.98 114.56 1xxr s PHE 157 Ca 0.23 -0.33 -0.15 0.00 -0.60 0.00 0.00 56.93 56.08 1xxr s PHE 157 Cb 0.01 -0.38 -0.05 0.00 0.51 0.00 0.00 43.02 43.11 1xxr s PHE 157 CO 0.08 -0.05 0.38 -1.01 0.70 0.00 0.00 175.22 175.32 1xxr s HIS 158 N -0.87 3.58 0.13 0.36 3.76 0.39 -1.40 115.29 121.24 1xxr s HIS 158 Ca -0.05 0.82 0.11 0.00 -0.15 0.00 0.00 55.06 55.79 1xxr s HIS 158 Cb -0.07 -2.37 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 1xxr s HIS 158 CO 0.00 0.39 -0.27 -0.51 -0.85 0.00 0.00 174.74 173.50 1xxr s LEU 159 N -0.12 2.33 0.09 0.89 1.43 0.67 -0.72 118.68 123.25 1xxr s LEU 159 Ca 0.22 -0.76 -0.21 0.00 -1.03 0.00 0.00 54.13 52.35 1xxr s LEU 159 Cb -0.15 -1.21 0.05 0.00 0.03 0.00 0.00 46.19 44.92 1xxr s LEU 159 CO 0.09 0.17 0.51 -0.44 0.23 0.00 0.00 176.35 176.92 1xxr s SER 160 N -2.09 -0.43 0.00 2.29 0.01 -0.22 -2.88 113.70 110.38 1xxr s SER 160 Ca 0.14 0.03 0.31 0.00 1.31 0.00 0.00 55.95 57.74 1xxr s SER 160 Cb -0.10 0.51 1.62 0.00 0.21 0.00 0.00 66.02 68.26 1xxr s SER 160 CO 0.06 -0.80 2.06 0.18 0.41 0.00 0.00 173.24 175.15