#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 4.58 0.00 -0.78 2.00 -1.26 -4.93 119.66 119.27 1xxr s GLN 9 Ca 0.00 1.53 0.00 0.00 -2.00 0.00 0.00 55.36 54.89 1xxr s GLN 9 Cb 0.00 -3.39 0.00 0.00 0.80 0.00 0.00 33.01 30.42 1xxr s GLN 9 CO 0.00 -0.00 0.35 0.25 -0.50 0.00 0.00 175.29 175.39 1xxr n THR 10 N 3.41 0.03 -4.03 -0.34 -2.24 -1.26 -5.07 114.28 104.79 1xxr n THR 10 Ca 0.05 -0.34 -0.08 0.00 -2.27 0.00 0.00 64.05 61.41 1xxr n THR 10 Cb 0.49 1.32 -0.10 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.03 0.17 -2.27 4.28 -1.32 -1.26 -5.05 115.64 110.15 1xxr s THR 11 Ca 0.00 -1.36 0.27 0.00 -1.21 0.00 0.00 61.69 59.39 1xxr s THR 11 Cb 0.00 -0.93 0.40 0.00 -1.51 0.00 0.00 72.50 70.47 1xxr s THR 11 CO 0.00 -0.75 1.62 0.61 -2.21 0.00 0.00 174.62 173.89 1xxr n GLY 12 N 0.80 -0.13 3.63 6.08 0.00 -1.26 -4.86 105.19 109.46 1xxr n GLY 12 Ca -0.19 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.19 5.07 0.96 2.61 2.01 -1.26 -5.09 115.64 117.74 1xxr s THR 13 Ca 0.32 0.07 -0.12 0.00 0.31 0.00 0.00 61.69 62.27 1xxr s THR 13 Cb 0.20 -3.34 0.17 0.00 0.01 0.00 0.00 72.50 69.54 1xxr s THR 13 CO 0.40 0.39 1.11 -0.94 -0.69 0.00 0.00 174.62 174.89 1xxr s SER 14 N 0.85 3.03 0.23 3.53 1.04 -1.26 -5.08 113.70 116.03 1xxr s SER 14 Ca 0.06 1.09 0.01 0.00 0.48 0.00 0.00 55.95 57.59 1xxr s SER 14 Cb -0.13 -1.72 -0.05 0.00 0.10 0.00 0.00 66.02 64.22 1xxr s SER 14 CO 0.03 -2.87 0.09 -1.10 0.98 0.00 0.00 173.24 170.37 1xxr s GLN 15 N -5.10 1.30 0.05 4.02 -0.21 -1.26 -5.15 119.66 113.30 1xxr s GLN 15 Ca 0.65 -1.68 -0.02 0.00 0.02 0.00 0.00 55.36 54.32 1xxr s GLN 15 Cb -0.17 -0.12 -0.03 0.00 1.00 0.00 0.00 33.01 33.68 1xxr s GLN 15 CO 0.56 -0.29 -0.01 0.95 -2.12 0.00 0.00 175.29 174.38 1xxr s THR 16 N -3.84 0.20 0.37 -0.19 -4.23 -1.26 -5.13 115.64 101.56 1xxr s THR 16 Ca 0.35 -1.68 -0.27 0.00 -1.18 0.00 0.00 61.69 58.91 1xxr s THR 16 Cb 0.07 -1.41 -0.09 0.00 1.34 0.00 0.00 72.50 72.41 1xxr s THR 16 CO 0.11 -0.93 1.28 -0.63 -0.54 0.00 0.00 174.62 173.91 1xxr s ILE 17 N -3.74 2.76 -0.07 2.99 1.01 -1.13 -4.84 121.20 118.18 1xxr s ILE 17 Ca 0.05 0.70 0.01 0.00 0.00 0.00 0.00 60.65 61.41 1xxr s ILE 17 Cb 0.06 -3.43 0.02 0.00 0.01 0.00 0.00 42.46 39.13 1xxr s ILE 17 CO -0.09 0.13 -0.06 -1.61 0.00 0.00 0.00 174.94 173.30 1xxr s GLU 18 N -2.06 1.16 0.13 2.79 2.02 -1.26 0.01 118.70 121.49 1xxr s GLU 18 Ca 0.54 -0.18 0.10 0.00 0.02 0.00 0.00 54.97 55.45 1xxr s GLU 18 Cb -0.37 -1.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.65 1xxr s GLU 18 CO 0.49 -0.13 -0.22 0.14 0.02 0.00 0.00 175.26 175.55 1xxr s VAL 19 N 1.20 2.54 0.00 2.63 -7.23 -0.35 -4.99 120.40 114.19 1xxr s VAL 19 Ca -0.06 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1xxr s VAL 19 Cb -0.14 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.64 1xxr s VAL 19 CO -0.02 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 1xxr n GLY 20 N 0.77 -0.52 3.89 2.32 0.00 -1.26 -1.15 105.19 109.23 1xxr n GLY 20 Ca -0.16 -2.21 -0.29 0.00 0.00 0.00 0.00 46.02 43.36 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 3.68 -0.12 0.99 1.43 -1.26 -5.02 118.68 118.38 1xxr s LEU 21 Ca 0.00 1.07 -0.00 0.00 -1.03 0.00 0.00 54.13 54.16 1xxr s LEU 21 Cb 0.00 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.20 1xxr s LEU 21 CO 0.00 -0.53 -0.10 0.26 0.23 0.00 0.00 176.35 176.21 1xxr s TRP 22 N -2.62 2.86 -1.13 0.29 0.51 -0.35 -4.93 118.94 113.57 1xxr s TRP 22 Ca 0.50 -0.42 0.00 0.00 -2.12 0.00 0.00 56.10 54.05 1xxr s TRP 22 Cb -0.10 -1.83 0.00 0.00 -0.81 0.00 0.00 33.47 30.73 1xxr s TRP 22 CO 0.40 -0.06 0.00 0.41 -0.51 0.00 0.00 176.95 177.19 1xxr n GLY 23 N 3.22 0.64 3.99 0.98 0.00 -1.26 -1.26 105.19 111.49 1xxr n GLY 23 Ca -0.18 -2.19 -0.20 0.00 0.00 0.00 0.00 46.02 43.45 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 1.94 0.00 -0.02 0.00 -0.32 -4.83 107.32 104.09 1xxr s GLY 24 Ca 0.00 -1.85 0.28 0.00 0.00 0.00 0.00 44.72 43.15 1xxr s GLY 24 CO 0.00 -1.67 1.89 -1.55 0.00 0.00 0.00 173.10 171.77 1xxr n PRO 25 N -1.97 1.39 -1.42 2.90 -0.04 -1.26 -4.31 135.00 130.28 1xxr n PRO 25 Ca 0.09 -0.56 -0.30 0.00 -0.04 0.00 0.00 63.50 62.69 1xxr n PRO 25 Cb 0.61 -1.46 0.23 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.92 1.68 0.00 0.55 0.00 -1.26 -4.92 107.32 101.44 1xxr s GLY 26 Ca 0.40 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1xxr s GLY 26 CO 0.33 -0.25 0.00 0.61 0.00 0.00 0.00 173.10 173.79 1xxr n GLY 27 N -2.11 -0.65 3.42 0.20 0.00 -1.26 -4.54 105.19 100.25 1xxr n GLY 27 Ca 0.15 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 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 3.94 0.39 1.61 0.01 0.84 -4.78 114.94 112.96 1xxr s ASN 28 Ca 0.00 -0.27 -0.26 0.00 -0.71 0.00 0.00 52.86 51.62 1xxr s ASN 28 Cb 0.00 -1.12 -0.09 0.00 0.41 0.00 0.00 41.25 40.45 1xxr s ASN 28 CO 0.00 0.27 1.26 0.00 -1.51 0.00 0.00 177.10 177.13 1xxr s ALA 29 N -0.29 3.26 0.04 0.60 0.00 -1.26 -0.84 121.76 123.27 1xxr s ALA 29 Ca 0.02 1.16 -0.06 0.00 0.00 0.00 0.00 51.96 53.08 1xxr s ALA 29 Cb -0.13 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.53 1xxr s ALA 29 CO 0.03 -0.71 0.12 1.67 0.00 0.00 0.00 175.76 176.86 1xxr s TRP 30 N -1.28 0.18 -0.26 0.00 1.48 0.39 -4.92 118.94 114.53 1xxr s TRP 30 Ca 0.56 -0.50 -0.04 0.00 -1.06 0.00 0.00 56.10 55.06 1xxr s TRP 30 Cb -0.36 -0.12 0.14 0.00 -1.16 0.00 0.00 33.47 31.97 1xxr s TRP 30 CO 0.46 -0.40 0.48 0.34 -4.06 0.00 0.00 176.95 173.78 1xxr s ASP 31 N -2.25 -0.51 0.50 -2.66 3.68 -1.26 -0.81 116.67 113.37 1xxr s ASP 31 Ca -0.03 0.70 0.29 0.00 2.13 0.00 0.00 52.55 55.64 1xxr s ASP 31 Cb 0.00 1.61 1.21 0.00 -1.45 0.00 0.00 42.92 44.29 1xxr s ASP 31 CO -0.05 -0.27 1.93 0.44 0.13 0.00 0.00 175.17 177.35 1xxr h ASP 32 N 8.10 0.00 -1.16 -0.34 3.32 -1.69 -3.49 116.42 121.17 1xxr h ASP 32 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 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 0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.46 1xxr n GLY 33 N -0.01 -1.81 3.36 2.75 0.00 -1.26 -4.91 105.19 103.32 1xxr n GLY 33 Ca 0.00 -1.85 -0.25 0.00 0.00 0.00 0.00 46.02 43.91 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 3.00 0.00 1.61 1.04 -1.26 -4.07 113.70 110.02 1xxr s SER 34 Ca 0.00 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.64 1xxr s SER 34 Cb 0.00 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.93 1xxr s SER 34 CO 0.00 0.08 0.00 -1.22 0.98 0.00 0.00 173.24 173.08 1xxr n TYR 35 N 0.64 0.00 0.61 5.02 4.02 0.94 -4.99 117.16 123.41 1xxr n TYR 35 Ca -0.16 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.80 1xxr n TYR 35 Cb 0.55 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.92 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 -1.08 -0.72 -2.24 -0.49 -4.85 114.28 104.90 1xxr n THR 36 Ca 0.00 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1xxr n THR 36 Cb 0.00 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 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 0.86 -2.08 3.17 3.38 0.00 -1.15 -4.91 105.19 104.46 1xxr n GLY 37 Ca 0.08 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.29 1.94 -0.21 -0.61 1.01 -1.26 -1.14 121.20 118.64 1xxr s ILE 38 Ca 0.00 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 1xxr s ILE 38 Cb 0.00 -1.71 -0.13 0.00 0.01 0.00 0.00 42.46 40.63 1xxr s ILE 38 CO 0.00 0.53 -0.21 0.54 0.00 0.00 0.00 174.94 175.80 1xxr n ARG 39 N 3.85 0.52 -3.70 2.79 1.74 -0.05 -4.79 116.66 117.02 1xxr n ARG 39 Ca -0.20 0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 56.88 1xxr n ARG 39 Cb 0.52 -1.40 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 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 -2.42 0.70 -0.09 5.56 2.12 -0.37 -1.43 118.70 122.77 1xxr s GLU 40 Ca -0.29 0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.25 1xxr s GLU 40 Cb 0.08 0.32 0.01 0.00 0.26 0.00 0.00 34.13 34.81 1xxr s GLU 40 CO 0.47 -0.17 -0.16 0.42 -0.54 0.00 0.00 175.26 175.28 1xxr s ILE 41 N -0.75 1.47 -0.17 -3.70 1.01 -0.17 0.31 121.20 119.20 1xxr s ILE 41 Ca -0.08 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1xxr s ILE 41 Cb -0.03 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 41.13 1xxr s ILE 41 CO 0.04 0.43 -0.20 0.20 0.00 0.00 0.00 174.94 175.41 1xxr s ASN 42 N 0.74 3.18 0.21 3.58 0.01 0.84 -0.21 114.94 123.29 1xxr s ASN 42 Ca -0.12 -0.62 -0.00 0.00 -0.71 0.00 0.00 52.86 51.41 1xxr s ASN 42 Cb -0.16 -1.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.98 1xxr s ASN 42 CO 0.03 0.03 0.14 -1.48 -1.51 0.00 0.00 177.10 174.31 1xxr s LEU 43 N 1.11 1.21 0.04 0.60 0.05 -0.57 -0.22 118.68 120.90 1xxr s LEU 43 Ca 0.00 -1.42 0.03 0.00 0.05 0.00 0.00 54.13 52.79 1xxr s LEU 43 Cb -0.14 0.40 -0.02 0.00 -2.05 0.00 0.00 46.19 44.37 1xxr s LEU 43 CO -0.08 -0.86 -0.08 -0.94 -0.55 0.00 0.00 176.35 173.83 1xxr s SER 44 N -3.18 0.95 0.04 1.48 1.04 -0.78 0.48 113.70 113.74 1xxr s SER 44 Ca 0.39 -0.53 -0.14 0.00 0.48 0.00 0.00 55.95 56.15 1xxr s SER 44 Cb 0.07 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.22 1xxr s SER 44 CO 0.13 -0.17 0.31 -1.38 0.98 0.00 0.00 173.24 173.12 1xxr s HIS 45 N -1.28 -0.12 0.00 5.02 -3.43 -0.21 -0.34 115.29 114.93 1xxr s HIS 45 Ca -0.08 0.01 0.00 0.00 -0.80 0.00 0.00 55.06 54.19 1xxr s HIS 45 Cb -0.09 0.11 0.00 0.00 -1.43 0.00 0.00 32.58 31.16 1xxr s HIS 45 CO 0.01 -0.50 0.00 0.41 -2.00 0.00 0.00 174.74 172.66 1xxr n GLY 46 N 0.63 1.31 0.51 -1.38 0.00 -1.26 -1.24 105.19 103.75 1xxr n GLY 46 Ca -0.19 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 1.53 -2.47 1.61 5.75 -1.26 -4.03 116.55 117.68 1xxr n ASP 47 Ca 0.00 -1.72 -0.01 0.00 -0.01 0.00 0.00 54.79 53.05 1xxr n ASP 47 Cb 0.00 -0.11 0.01 0.00 -1.03 0.00 0.00 41.12 39.99 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 0.24 -1.74 -2.65 2.12 0.00 -1.26 -4.35 120.51 112.88 1xxr n ALA 48 Ca 0.15 -0.62 -0.39 0.00 0.00 0.00 0.00 53.44 52.58 1xxr n ALA 48 Cb 0.30 0.32 -0.07 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.23 5.12 0.00 0.00 -1.09 -0.83 -4.31 121.20 117.85 1xxr s ILE 49 Ca 0.15 0.86 0.00 0.00 -2.23 0.00 0.00 60.65 59.43 1xxr s ILE 49 Cb -0.02 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1xxr s ILE 49 CO 0.03 0.17 0.00 0.61 -1.23 0.00 0.00 174.94 174.52 1xxr n GLY 50 N 4.06 0.10 3.85 6.18 0.00 0.54 -0.38 105.19 119.54 1xxr n GLY 50 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.74 3.29 -0.27 4.61 0.00 -1.24 -3.66 121.76 119.75 1xxr s ALA 51 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 1xxr s ALA 51 Cb 0.00 -2.81 0.15 0.00 0.00 0.00 0.00 23.12 20.47 1xxr s ALA 51 CO 0.00 0.26 0.52 0.12 0.00 0.00 0.00 175.76 176.66 1xxr s PHE 52 N -2.07 -1.24 0.02 0.00 5.36 -0.25 -1.86 117.98 117.94 1xxr s PHE 52 Ca 0.55 1.53 -0.00 0.00 -0.96 0.00 0.00 56.93 58.04 1xxr s PHE 52 Cb -0.10 0.41 -0.02 0.00 -0.34 0.00 0.00 43.02 42.97 1xxr s PHE 52 CO 0.19 -0.75 -0.03 -1.12 -1.46 0.00 0.00 175.22 172.05 1xxr s SER 53 N 2.74 0.22 0.03 6.13 0.01 0.70 -3.01 113.70 120.52 1xxr s SER 53 Ca 0.12 -0.47 0.04 0.00 1.31 0.00 0.00 55.95 56.96 1xxr s SER 53 Cb -0.14 0.09 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 1xxr s SER 53 CO -0.18 -0.28 -0.13 -0.69 0.41 0.00 0.00 173.24 172.36 1xxr s VAL 54 N -1.36 1.05 -0.33 3.43 1.01 -1.26 -0.11 120.40 122.82 1xxr s VAL 54 Ca -0.15 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 1xxr s VAL 54 Cb -0.09 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.37 1xxr s VAL 54 CO -0.01 0.04 0.12 -0.63 0.00 0.00 0.00 175.10 174.62 1xxr s ILE 55 N -0.76 4.03 0.55 2.22 1.01 0.15 -1.20 121.20 127.20 1xxr s ILE 55 Ca 0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 1xxr s ILE 55 Cb -0.07 -3.21 0.03 0.00 0.01 0.00 0.00 42.46 39.21 1xxr s ILE 55 CO 0.01 -0.12 0.80 -0.31 0.00 0.00 0.00 174.94 175.32 1xxr s TYR 56 N 1.47 2.97 -0.10 3.97 1.51 0.54 -0.87 117.35 126.83 1xxr s TYR 56 Ca 0.00 0.15 -0.04 0.00 -1.01 0.00 0.00 57.07 56.18 1xxr s TYR 56 Cb -0.19 -2.73 -0.04 0.00 -0.11 0.00 0.00 41.96 38.90 1xxr s TYR 56 CO 0.04 -0.84 0.06 0.34 -1.11 0.00 0.00 175.55 174.04 1xxr s ASP 57 N -4.39 5.72 -0.36 2.29 2.15 -0.29 0.42 116.67 122.21 1xxr s ASP 57 Ca 0.56 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.81 1xxr s ASP 57 Cb -0.10 -1.73 0.12 0.00 -0.30 0.00 0.00 42.92 40.90 1xxr s ASP 57 CO 0.40 0.39 0.16 -0.22 -0.17 0.00 0.00 175.17 175.72 1xxr s LEU 58 N -0.91 2.14 -1.43 -1.34 2.96 0.12 -1.39 118.68 118.82 1xxr s LEU 58 Ca 0.14 -2.03 -0.08 0.00 -0.22 0.00 0.00 54.13 51.93 1xxr s LEU 58 Cb -0.12 -0.83 0.05 0.00 0.50 0.00 0.00 46.19 45.79 1xxr s LEU 58 CO 0.03 -0.35 0.92 0.59 -1.32 0.00 0.00 176.35 176.22 1xxr n ASN 59 N 4.32 -3.74 0.00 3.68 5.03 -1.26 -2.36 115.26 120.93 1xxr n ASN 59 Ca 0.03 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.72 1xxr n ASN 59 Cb 0.39 -4.12 0.00 0.00 -1.02 0.00 0.00 39.78 35.03 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 -1.68 0.58 3.22 7.41 0.00 -1.26 -5.06 105.19 108.40 1xxr n GLY 60 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.81 1.49 0.60 1.61 -1.52 -0.99 -5.13 119.66 114.91 1xxr s GLN 61 Ca 0.00 -0.81 -0.18 0.00 -1.95 0.00 0.00 55.36 52.42 1xxr s GLN 61 Cb 0.00 -1.51 -0.03 0.00 -0.22 0.00 0.00 33.01 31.25 1xxr s GLN 61 CO 0.00 0.40 1.16 -1.25 -0.25 0.00 0.00 175.29 175.35 1xxr s PRO 62 N -0.80 3.03 -0.06 2.91 0.04 -1.26 0.10 135.00 138.96 1xxr s PRO 62 Ca 0.07 1.65 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 1xxr s PRO 62 Cb -0.08 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.53 1xxr s PRO 62 CO 0.00 -1.12 0.03 0.12 0.04 0.00 0.00 177.00 176.07 1xxr s PHE 63 N -1.84 0.40 -0.23 0.56 5.36 0.17 -4.76 117.98 117.63 1xxr s PHE 63 Ca 0.73 0.02 -0.29 0.00 -0.96 0.00 0.00 56.93 56.43 1xxr s PHE 63 Cb -0.26 -0.65 -0.00 0.00 -0.34 0.00 0.00 43.02 41.77 1xxr s PHE 63 CO 0.33 -0.26 1.21 0.99 -1.46 0.00 0.00 175.22 176.03 1xxr s THR 64 N 2.00 4.34 0.80 0.12 2.01 -1.26 -0.34 115.64 123.31 1xxr s THR 64 Ca 0.04 1.59 -0.12 0.00 0.31 0.00 0.00 61.69 63.51 1xxr s THR 64 Cb -0.12 -4.14 0.07 0.00 0.01 0.00 0.00 72.50 68.32 1xxr s THR 64 CO -0.04 -0.27 1.15 -0.83 -0.69 0.00 0.00 174.62 173.93 1xxr s GLY 65 N 2.01 1.60 0.54 4.40 0.00 -0.34 -4.95 107.32 110.58 1xxr s GLY 65 Ca 0.52 -0.52 -0.22 0.00 0.00 0.00 0.00 44.72 44.50 1xxr s GLY 65 CO 0.15 -0.05 1.30 -1.05 0.00 0.00 0.00 173.10 173.45 1xxr n PRO 66 N -3.34 1.61 -3.15 2.90 -0.02 -1.26 -4.72 135.00 127.01 1xxr n PRO 66 Ca 0.07 0.59 -0.32 0.00 -2.02 0.00 0.00 63.50 61.83 1xxr n PRO 66 Cb 0.59 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.30 4.79 -0.39 3.45 -4.23 -1.26 -4.54 115.64 112.16 1xxr s THR 67 Ca 0.71 0.70 0.09 0.00 -1.18 0.00 0.00 61.69 62.01 1xxr s THR 67 Cb -0.43 -3.65 0.28 0.00 1.34 0.00 0.00 72.50 70.05 1xxr s THR 67 CO 0.50 -0.25 0.61 1.41 -0.54 0.00 0.00 174.62 176.35 1xxr n HIS 68 N -0.57 -0.33 0.33 3.99 8.25 -1.16 -4.99 115.22 120.74 1xxr n HIS 68 Ca 0.02 -3.56 0.22 0.00 -0.26 0.00 0.00 57.72 54.13 1xxr n HIS 68 Cb 0.53 -0.28 1.11 0.00 1.12 0.00 0.00 29.99 32.47 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 3.67 0.00 0.00 -0.41 0.13 -1.88 -0.64 132.00 132.87 1xxr h PRO 69 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1xxr h PRO 69 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1xxr h PRO 69 CO 0.46 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.64 1xxr n GLY 70 N -0.83 0.77 2.56 1.56 0.00 -1.26 -3.60 105.19 104.40 1xxr n GLY 70 Ca -0.02 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.49 -1.56 -3.56 1.61 5.15 0.11 -4.90 115.26 109.62 1xxr n ASN 71 Ca 0.00 -3.34 -0.28 0.00 -0.60 0.00 0.00 54.58 50.36 1xxr n ASN 71 Cb 0.00 1.10 -0.11 0.00 -0.53 0.00 0.00 39.78 40.23 1xxr n ASN 71 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1xxr s GLU 72 N -0.33 1.22 0.30 1.20 0.41 -1.25 -4.86 118.70 115.39 1xxr s GLU 72 Ca 0.30 -2.21 0.21 0.00 -0.41 0.00 0.00 54.97 52.86 1xxr s GLU 72 Cb 0.27 -1.96 1.10 0.00 -1.78 0.00 0.00 34.13 31.76 1xxr s GLU 72 CO -0.12 -1.30 1.64 -0.35 -0.49 0.00 0.00 175.26 174.65 1xxr n PRO 73 N 2.99 0.14 0.15 0.39 -0.04 -1.26 -2.12 135.00 135.24 1xxr n PRO 73 Ca 0.21 0.60 0.11 0.00 -0.04 0.00 0.00 63.50 64.38 1xxr n PRO 73 Cb 0.41 -1.93 0.06 0.00 -0.04 0.00 0.00 33.50 32.01 1xxr n PRO 73 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1xxr h SER 74 N 0.00 0.00 -4.12 3.54 0.02 -1.99 -3.47 113.55 107.52 1xxr h SER 74 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 1xxr h SER 74 Cb 0.05 0.00 0.15 0.00 0.14 0.00 0.00 62.40 62.75 1xxr h SER 74 CO 0.00 0.03 0.48 -0.36 -1.14 0.00 0.00 176.83 175.85 1xxr s PHE 75 N -3.28 2.09 -0.06 3.45 2.99 -0.90 -4.98 117.98 117.28 1xxr s PHE 75 Ca 0.02 1.52 -0.23 0.00 0.00 0.00 0.00 56.93 58.23 1xxr s PHE 75 Cb 0.08 -3.63 -0.04 0.00 0.00 0.00 0.00 43.02 39.43 1xxr s PHE 75 CO 0.74 -2.81 0.70 0.21 -0.00 0.00 0.00 175.22 174.07 1xxr s LYS 76 N -3.49 4.44 0.35 0.44 2.20 -0.37 -4.73 119.74 118.57 1xxr s LYS 76 Ca 0.80 0.88 -0.19 0.00 -0.36 0.00 0.00 55.97 57.11 1xxr s LYS 76 Cb -0.35 -3.44 -0.10 0.00 -1.51 0.00 0.00 37.83 32.43 1xxr s LYS 76 CO 0.40 0.08 0.84 0.95 -0.36 0.00 0.00 175.35 177.26 1xxr s THR 77 N 0.73 4.51 -0.01 3.43 -4.23 -1.26 -1.04 115.64 117.77 1xxr s THR 77 Ca 0.37 1.29 0.01 0.00 -1.18 0.00 0.00 61.69 62.18 1xxr s THR 77 Cb -0.18 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1xxr s THR 77 CO 0.18 -0.14 -0.02 -0.69 -0.54 0.00 0.00 174.62 173.41 1xxr s VAL 78 N -1.95 0.17 -0.20 2.29 1.01 0.18 -4.95 120.40 116.94 1xxr s VAL 78 Ca 0.55 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.48 1xxr s VAL 78 Cb -0.12 -0.17 0.03 0.00 0.00 0.00 0.00 36.38 36.13 1xxr s VAL 78 CO 0.17 0.06 -0.16 -0.75 0.00 0.00 0.00 175.10 174.42 1xxr s LYS 79 N 0.09 2.68 -0.46 2.72 2.20 -1.26 -1.51 119.74 124.19 1xxr s LYS 79 Ca -0.01 -0.98 -0.10 0.00 -0.36 0.00 0.00 55.97 54.53 1xxr s LYS 79 Cb -0.03 -2.64 0.11 0.00 -1.51 0.00 0.00 37.83 33.76 1xxr s LYS 79 CO -0.00 -0.34 0.33 0.42 -0.36 0.00 0.00 175.35 175.40 1xxr s ILE 80 N 1.24 4.29 -0.40 5.43 1.01 0.70 -4.99 121.20 128.49 1xxr s ILE 80 Ca 0.00 -1.64 -0.16 0.00 0.00 0.00 0.00 60.65 58.86 1xxr s ILE 80 Cb -0.15 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1xxr s ILE 80 CO -0.10 -0.69 0.36 -0.89 0.00 0.00 0.00 174.94 173.61 1xxr s THR 81 N 1.40 5.18 0.37 2.92 2.01 -1.26 -0.99 115.64 125.27 1xxr s THR 81 Ca 0.05 -0.39 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 1xxr s THR 81 Cb -0.25 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.22 1xxr s THR 81 CO 0.00 -0.30 0.82 -0.76 -0.69 0.00 0.00 174.62 173.70 1xxr s LEU 82 N 1.92 3.98 -1.39 4.42 1.43 -0.51 -4.96 118.68 123.57 1xxr s LEU 82 Ca 0.09 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.48 1xxr s LEU 82 Cb -0.18 -4.25 0.09 0.00 0.03 0.00 0.00 46.19 41.88 1xxr s LEU 82 CO 0.12 -0.29 2.09 -0.67 0.23 0.00 0.00 176.35 177.83 1xxr n ASP 83 N -0.59 4.32 -4.76 2.29 2.03 -1.26 -4.88 116.55 113.69 1xxr n ASP 83 Ca 0.05 -2.94 -0.40 0.00 0.52 0.00 0.00 54.79 52.02 1xxr n ASP 83 Cb 0.54 -1.60 -0.04 0.00 -0.72 0.00 0.00 41.12 39.30 1xxr n ASP 83 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1xxr s PHE 84 N 2.22 3.41 -1.98 -0.67 5.36 -1.26 0.20 117.98 125.26 1xxr s PHE 84 Ca 0.44 1.60 0.26 0.00 -0.96 0.00 0.00 56.93 58.27 1xxr s PHE 84 Cb 0.12 -3.42 0.66 0.00 -0.34 0.00 0.00 43.02 40.05 1xxr s PHE 84 CO -0.05 -0.99 1.51 -0.35 -1.46 0.00 0.00 175.22 173.87 1xxr n PRO 85 N 1.14 1.10 -0.20 10.12 -0.04 -1.26 -4.87 135.00 140.98 1xxr n PRO 85 Ca -0.01 -0.71 0.03 0.00 -0.04 0.00 0.00 63.50 62.77 1xxr n PRO 85 Cb 0.44 -1.49 0.28 0.00 -0.04 0.00 0.00 33.50 32.70 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 1.74 0.79 -3.26 3.54 -0.26 -1.78 -3.41 115.58 112.95 1xxr h ASN 86 Ca 0.00 -0.01 -0.62 0.00 -0.56 0.00 0.00 56.30 55.11 1xxr h ASN 86 Cb 0.57 -0.19 -0.15 0.00 -1.06 0.00 0.00 38.32 37.49 1xxr h ASN 86 CO 0.00 0.55 -0.55 -0.70 -1.06 0.00 0.00 177.43 175.68 1xxr s GLU 87 N -5.79 3.97 0.04 0.81 2.12 0.13 -4.95 118.70 115.03 1xxr s GLU 87 Ca -0.11 -0.31 -0.16 0.00 0.36 0.00 0.00 54.97 54.76 1xxr s GLU 87 Cb 0.18 -3.24 0.03 0.00 0.26 0.00 0.00 34.13 31.36 1xxr s GLU 87 CO 0.78 0.31 0.36 -0.59 -0.54 0.00 0.00 175.26 175.58 1xxr s PHE 88 N 0.27 -0.19 0.19 5.30 -0.12 -1.26 -4.30 117.98 117.87 1xxr s PHE 88 Ca 0.05 0.12 -0.31 0.00 -0.05 0.00 0.00 56.93 56.74 1xxr s PHE 88 Cb -0.12 0.15 -0.10 0.00 -0.63 0.00 0.00 43.02 42.32 1xxr s PHE 88 CO -0.00 -0.52 1.53 -0.51 -0.05 0.00 0.00 175.22 175.66 1xxr s LEU 89 N -1.96 4.37 0.00 -1.99 1.43 -1.26 -1.82 118.68 117.45 1xxr s LEU 89 Ca -0.06 2.62 0.05 0.00 -1.03 0.00 0.00 54.13 55.72 1xxr s LEU 89 Cb -0.01 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1xxr s LEU 89 CO -0.02 -0.79 0.47 1.33 0.23 0.00 0.00 176.35 177.57 1xxr n VAL 90 N 3.51 0.00 -3.62 -1.59 0.24 0.26 -4.78 118.33 112.34 1xxr n VAL 90 Ca 0.12 -0.45 -0.07 0.00 -2.04 0.00 0.00 64.34 61.90 1xxr n VAL 90 Cb 0.39 1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 33.77 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 -0.91 -0.28 -0.04 -1.34 0.15 -0.80 -0.12 113.70 110.36 1xxr s SER 91 Ca 0.05 0.45 0.01 0.00 0.70 0.00 0.00 55.95 57.16 1xxr s SER 91 Cb 0.04 0.42 0.02 0.00 -1.71 0.00 0.00 66.02 64.80 1xxr s SER 91 CO 0.13 -0.15 -0.05 -0.69 1.20 0.00 0.00 173.24 173.68 1xxr s VAL 92 N -0.35 0.52 0.24 4.45 1.01 -1.09 -1.37 120.40 123.82 1xxr s VAL 92 Ca 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.83 1xxr s VAL 92 Cb -0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.79 1xxr s VAL 92 CO -0.07 0.21 0.30 -0.94 0.00 0.00 0.00 175.10 174.60 1xxr s SER 93 N 0.75 0.29 0.00 3.32 1.04 -0.70 0.28 113.70 118.69 1xxr s SER 93 Ca -0.10 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.05 1xxr s SER 93 Cb -0.13 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1xxr s SER 93 CO 0.00 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1xxr n GLY 94 N -0.37 -0.58 3.00 7.32 0.00 -0.60 0.35 105.19 114.30 1xxr n GLY 94 Ca 0.01 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.18 0.60 -0.11 1.61 1.51 -0.90 -1.12 117.35 115.77 1xxr s TYR 95 Ca 0.00 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1xxr s TYR 95 Cb 0.00 -0.38 0.00 0.00 -0.11 0.00 0.00 41.96 41.47 1xxr s TYR 95 CO 0.00 -0.02 -0.23 0.95 -1.11 0.00 0.00 175.55 175.14 1xxr s THR 96 N -0.39 2.00 0.11 -0.71 -4.23 0.31 -0.62 115.64 112.10 1xxr s THR 96 Ca 0.00 -0.98 -0.26 0.00 -1.18 0.00 0.00 61.69 59.27 1xxr s THR 96 Cb -0.04 -1.75 0.08 0.00 1.34 0.00 0.00 72.50 72.13 1xxr s THR 96 CO -0.00 0.55 1.05 -0.83 -0.54 0.00 0.00 174.62 174.85 1xxr s GLY 97 N 0.49 -0.28 0.58 3.99 0.00 -0.71 -0.28 107.32 111.11 1xxr s GLY 97 Ca -0.15 0.28 -0.16 0.00 0.00 0.00 0.00 44.72 44.69 1xxr s GLY 97 CO 0.06 0.04 1.04 -1.34 0.00 0.00 0.00 173.10 172.90 1xxr s VAL 98 N -3.04 3.99 -0.20 1.40 -7.23 -1.26 -1.30 120.40 112.76 1xxr s VAL 98 Ca 0.13 0.92 0.01 0.00 -1.81 0.00 0.00 61.98 61.23 1xxr s VAL 98 Cb 0.00 -3.47 0.02 0.00 0.56 0.00 0.00 36.38 33.50 1xxr s VAL 98 CO 0.01 -0.58 -0.16 -0.22 -0.31 0.00 0.00 175.10 173.84 1xxr s LEU 99 N -4.48 2.48 0.21 1.32 2.96 -1.26 -4.94 118.68 114.97 1xxr s LEU 99 Ca 0.62 -0.75 -0.19 0.00 -0.22 0.00 0.00 54.13 53.59 1xxr s LEU 99 Cb -0.14 -1.53 0.19 0.00 0.50 0.00 0.00 46.19 45.20 1xxr s LEU 99 CO 0.37 -0.04 1.57 0.00 -1.32 0.00 0.00 176.35 176.93 1xxr h ALA 100 N 7.94 0.08 0.00 5.97 0.00 -1.98 0.29 119.26 131.55 1xxr h ALA 100 Ca -0.41 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xxr h ALA 100 Cb 1.13 0.87 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1xxr h ALA 100 CO 0.61 -0.64 0.00 2.89 0.00 0.00 0.00 179.25 182.11 1xxr n ARG 101 N -5.46 0.08 0.04 0.00 1.85 -1.26 -1.52 116.66 110.40 1xxr n ARG 101 Ca 0.07 0.57 0.00 0.00 -1.00 0.00 0.00 57.85 57.49 1xxr n ARG 101 Cb 0.38 -1.77 -0.07 0.00 -1.05 0.00 0.00 32.46 29.95 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 -1.73 2.89 3.38 -1.36 -3.48 115.31 115.01 1xxr h LEU 102 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1xxr h LEU 102 Cb 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.61 1xxr h LEU 102 CO 0.00 0.57 -0.90 0.00 0.09 0.00 0.00 178.44 178.20 1xxr n ALA 103 N -2.38 -1.78 0.05 1.53 0.00 -0.57 -4.84 120.51 112.52 1xxr n ALA 103 Ca -0.09 -0.25 0.01 0.00 0.00 0.00 0.00 53.44 53.12 1xxr n ALA 103 Cb 0.83 -1.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 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 -4.42 0.00 -0.87 0.00 -2.24 -1.26 -4.99 114.28 100.50 1xxr n THR 104 Ca -0.20 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1xxr n THR 104 Cb 0.63 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 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 1.77 0.66 3.91 3.38 0.00 -1.26 -4.99 105.19 108.66 1xxr n GLY 105 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.33 3.33 0.51 1.61 -0.14 -1.26 -4.90 119.74 118.56 1xxr s LYS 106 Ca 0.00 -0.58 -0.17 0.00 -1.36 0.00 0.00 55.97 53.86 1xxr s LYS 106 Cb 0.00 -2.93 -0.08 0.00 -1.68 0.00 0.00 37.83 33.13 1xxr s LYS 106 CO 0.00 0.55 0.98 -0.51 -0.76 0.00 0.00 175.35 175.61 1xxr s ASP 107 N -2.91 6.63 0.21 2.83 1.01 -1.26 -4.14 116.67 119.04 1xxr s ASP 107 Ca 0.34 1.58 -0.01 0.00 0.71 0.00 0.00 52.55 55.18 1xxr s ASP 107 Cb -0.12 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1xxr s ASP 107 CO 0.27 -0.58 0.12 0.68 0.21 0.00 0.00 175.17 175.87 1xxr s VAL 108 N -2.59 0.11 -0.66 -1.27 -7.23 -0.42 -1.69 120.40 106.65 1xxr s VAL 108 Ca 0.59 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.51 1xxr s VAL 108 Cb -0.10 -2.51 0.04 0.00 0.56 0.00 0.00 36.38 34.38 1xxr s VAL 108 CO 0.30 -0.02 1.13 -0.63 -0.31 0.00 0.00 175.10 175.57 1xxr s ILE 109 N -4.08 4.02 0.12 -0.62 -1.09 0.63 -1.74 121.20 118.46 1xxr s ILE 109 Ca 0.38 0.28 -0.04 0.00 -2.23 0.00 0.00 60.65 59.04 1xxr s ILE 109 Cb 0.07 -4.77 -0.21 0.00 -1.58 0.00 0.00 42.46 35.98 1xxr s ILE 109 CO 0.12 -1.56 1.27 0.03 -1.23 0.00 0.00 174.94 173.57 1xxr h ARG 110 N 9.72 0.35 -3.96 2.79 2.47 -1.15 -2.21 114.38 122.39 1xxr h ARG 110 Ca -0.27 -0.43 -0.10 0.00 -1.26 0.00 0.00 59.98 57.92 1xxr h ARG 110 Cb 1.06 0.13 -0.14 0.00 -1.65 0.00 0.00 29.97 29.37 1xxr h ARG 110 CO 1.21 1.12 -0.47 0.45 0.56 0.00 0.00 179.97 182.84 1xxr s SER 111 N -7.09 0.24 -0.15 7.04 0.15 -1.10 -1.58 113.70 111.21 1xxr s SER 111 Ca -0.05 -0.79 -0.13 0.00 0.70 0.00 0.00 55.95 55.69 1xxr s SER 111 Cb 0.08 0.30 0.04 0.00 -1.71 0.00 0.00 66.02 64.73 1xxr s SER 111 CO 0.87 -0.69 0.39 -0.22 1.20 0.00 0.00 173.24 174.78 1xxr s LEU 112 N -2.89 0.46 -0.05 3.45 2.96 -0.84 -2.12 118.68 119.65 1xxr s LEU 112 Ca 0.07 0.79 0.01 0.00 -0.22 0.00 0.00 54.13 54.78 1xxr s LEU 112 Cb 0.06 1.32 0.02 0.00 0.50 0.00 0.00 46.19 48.09 1xxr s LEU 112 CO -0.10 -0.14 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.84 1xxr s THR 113 N 0.34 0.66 -0.23 3.68 2.01 0.15 -0.97 115.64 121.28 1xxr s THR 113 Ca -0.01 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.76 1xxr s THR 113 Cb -0.03 -0.66 0.01 0.00 0.01 0.00 0.00 72.50 71.83 1xxr s THR 113 CO -0.01 0.25 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.74 1xxr s PHE 114 N 0.80 2.98 -0.19 4.92 0.40 0.61 -1.73 117.98 125.79 1xxr s PHE 114 Ca -0.12 -1.29 -0.02 0.00 -0.60 0.00 0.00 56.93 54.91 1xxr s PHE 114 Cb -0.14 -2.07 -0.00 0.00 0.51 0.00 0.00 43.02 41.31 1xxr s PHE 114 CO 0.01 -0.66 -0.10 0.21 0.70 0.00 0.00 175.22 175.38 1xxr s LYS 115 N 1.39 3.29 0.34 0.44 2.20 -0.47 0.72 119.74 127.66 1xxr s LYS 115 Ca 0.03 -0.69 0.04 0.00 -0.36 0.00 0.00 55.97 55.00 1xxr s LYS 115 Cb -0.15 -2.81 0.04 0.00 -1.51 0.00 0.00 37.83 33.40 1xxr s LYS 115 CO -0.05 -0.09 0.37 0.25 -0.36 0.00 0.00 175.35 175.48 1xxr n THR 116 N 4.41 0.00 1.16 3.43 -2.24 0.43 -0.57 114.28 120.91 1xxr n THR 116 Ca -0.19 -1.25 0.13 0.00 -2.27 0.00 0.00 64.05 60.47 1xxr n THR 116 Cb 0.51 -0.47 0.63 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.26 0.00 -0.08 3.42 6.94 -0.75 -3.70 115.26 118.82 1xxr n ASN 117 Ca 0.05 0.03 -0.10 0.00 -0.02 0.00 0.00 54.58 54.53 1xxr n ASN 117 Cb 0.37 -0.33 -0.08 0.00 -2.36 0.00 0.00 39.78 37.38 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 -1.33 0.72 -3.54 -3.83 4.76 -1.26 -5.05 118.16 108.63 1xxr n LYS 118 Ca 0.11 0.07 -0.04 0.00 -2.87 0.00 0.00 58.31 55.59 1xxr n LYS 118 Cb 0.23 -1.33 0.02 0.00 -1.84 0.00 0.00 35.03 32.11 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 -2.88 0.67 -4.86 1.97 2.85 -1.24 -5.16 118.16 109.51 1xxr n LYS 119 Ca -0.27 -1.46 -0.33 0.00 -1.05 0.00 0.00 58.31 55.20 1xxr n LYS 119 Cb 0.83 1.93 -0.14 0.00 -0.65 0.00 0.00 35.03 37.00 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 -2.14 2.98 -0.18 0.58 2.01 -1.26 -0.43 115.64 117.19 1xxr s THR 120 Ca 0.19 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.45 1xxr s THR 120 Cb -0.03 -2.21 -0.00 0.00 0.01 0.00 0.00 72.50 70.27 1xxr s THR 120 CO 0.06 0.55 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.13 1xxr s TYR 121 N -0.11 2.87 0.00 4.92 1.51 0.22 -4.99 117.35 121.77 1xxr s TYR 121 Ca -0.02 -1.00 0.00 0.00 -1.01 0.00 0.00 57.07 55.04 1xxr s TYR 121 Cb -0.14 -1.98 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 1xxr s TYR 121 CO 0.04 -0.50 0.00 0.41 -1.11 0.00 0.00 175.55 174.39 1xxr n GLY 122 N 4.36 -0.66 3.76 0.71 0.00 -1.26 -0.28 105.19 111.82 1xxr n GLY 122 Ca -0.19 -2.18 -0.37 0.00 0.00 0.00 0.00 46.02 43.29 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 3.39 0.01 1.61 0.04 -1.26 -4.97 135.00 133.82 1xxr s PRO 123 Ca 0.00 1.86 0.05 0.00 0.04 0.00 0.00 61.00 62.95 1xxr s PRO 123 Cb 0.00 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1xxr s PRO 123 CO 0.00 -0.88 -0.12 0.71 0.04 0.00 0.00 177.00 176.75 1xxr s TYR 124 N -1.53 2.73 0.00 0.56 2.02 -0.15 -4.97 117.35 116.02 1xxr s TYR 124 Ca 0.70 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 57.26 1xxr s TYR 124 Cb -0.31 -1.56 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1xxr s TYR 124 CO 0.36 0.29 0.00 0.41 -1.57 0.00 0.00 175.55 175.04 1xxr n GLY 125 N 1.71 -0.06 3.09 0.71 0.00 -1.26 -2.00 105.19 107.38 1xxr n GLY 125 Ca -0.16 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 1xxr n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxr s LYS 126 N 0.00 2.47 -1.34 1.61 -0.14 -0.61 -4.90 119.74 116.83 1xxr s LYS 126 Ca 0.00 -0.65 -0.17 0.00 -1.36 0.00 0.00 55.97 53.80 1xxr s LYS 126 Cb 0.00 -2.07 0.03 0.00 -1.68 0.00 0.00 37.83 34.11 1xxr s LYS 126 CO 0.00 -0.06 2.01 0.39 -0.76 0.00 0.00 175.35 176.93 1xxr n GLU 127 N 4.19 2.81 -4.21 1.68 1.02 -1.26 -3.72 120.64 121.16 1xxr n GLU 127 Ca -0.19 -2.79 -0.17 0.00 -0.02 0.00 0.00 57.16 53.99 1xxr n GLU 127 Cb 0.51 -3.36 -0.13 0.00 -0.02 0.00 0.00 31.44 28.44 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 3.88 0.70 0.00 3.49 2.02 -1.26 -5.06 118.70 122.47 1xxr s GLU 128 Ca 0.51 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.84 1xxr s GLU 128 Cb 0.10 -0.63 0.00 0.00 0.10 0.00 0.00 34.13 33.70 1xxr s GLU 128 CO -0.00 0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.84 1xxr n GLY 129 N 1.91 0.58 3.39 -1.39 0.00 -1.26 -4.34 105.19 104.08 1xxr n GLY 129 Ca -0.19 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 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 3.68 0.69 2.61 2.01 0.61 -4.89 115.64 120.35 1xxr s THR 130 Ca 0.00 -0.40 -0.12 0.00 0.31 0.00 0.00 61.69 61.48 1xxr s THR 130 Cb 0.00 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.85 1xxr s THR 130 CO 0.00 0.43 1.08 -2.16 -0.69 0.00 0.00 174.62 173.27 1xxr s PRO 131 N 1.19 2.82 0.11 4.92 0.04 -1.26 -0.53 135.00 142.28 1xxr s PRO 131 Ca 0.03 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 1xxr s PRO 131 Cb -0.14 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.43 1xxr s PRO 131 CO 0.00 -1.20 0.25 -0.59 0.04 0.00 0.00 177.00 175.50 1xxr s PHE 132 N -2.77 0.08 -0.16 0.56 -0.12 -0.27 -4.86 117.98 110.44 1xxr s PHE 132 Ca 0.61 -0.48 -0.29 0.00 -0.05 0.00 0.00 56.93 56.73 1xxr s PHE 132 Cb -0.16 0.02 0.09 0.00 -0.63 0.00 0.00 43.02 42.34 1xxr s PHE 132 CO 0.49 -0.60 0.83 -1.54 -0.05 0.00 0.00 175.22 174.35 1xxr s SER 133 N -2.86 -0.56 -0.53 1.98 1.04 -1.26 -1.56 113.70 109.95 1xxr s SER 133 Ca 0.06 0.80 0.04 0.00 0.48 0.00 0.00 55.95 57.32 1xxr s SER 133 Cb 0.04 0.71 0.15 0.00 0.10 0.00 0.00 66.02 67.02 1xxr s SER 133 CO -0.10 -0.39 0.35 -0.22 0.98 0.00 0.00 173.24 173.85 1xxr s LEU 134 N -0.64 3.20 0.25 2.42 2.96 0.14 -4.98 118.68 122.03 1xxr s LEU 134 Ca -0.04 -3.17 -0.30 0.00 -0.22 0.00 0.00 54.13 50.41 1xxr s LEU 134 Cb -0.02 -1.13 -0.09 0.00 0.50 0.00 0.00 46.19 45.45 1xxr s LEU 134 CO 0.03 -0.18 1.01 -2.16 -1.32 0.00 0.00 176.35 173.73 1xxr s PRO 135 N -0.36 4.75 -0.12 0.98 0.04 -1.26 -2.66 135.00 136.37 1xxr s PRO 135 Ca 0.24 1.62 0.02 0.00 0.04 0.00 0.00 61.00 62.92 1xxr s PRO 135 Cb -0.11 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 1xxr s PRO 135 CO -0.10 0.36 -0.19 0.42 0.04 0.00 0.00 177.00 177.53 1xxr s ILE 136 N -1.07 2.44 -0.20 0.56 1.01 0.83 -4.96 121.20 119.80 1xxr s ILE 136 Ca 0.43 -0.88 0.16 0.00 0.00 0.00 0.00 60.65 60.36 1xxr s ILE 136 Cb -0.28 -1.98 -0.24 0.00 0.01 0.00 0.00 42.46 39.97 1xxr s ILE 136 CO 0.35 0.54 0.03 -0.62 0.00 0.00 0.00 174.94 175.25 1xxr n GLU 137 N 3.64 0.71 -3.70 2.79 1.02 -1.26 -4.79 120.64 119.06 1xxr n GLU 137 Ca -0.19 0.01 -0.11 0.00 -0.02 0.00 0.00 57.16 56.85 1xxr n GLU 137 Cb 0.53 -1.51 -0.12 0.00 -0.02 0.00 0.00 31.44 30.32 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 -5.58 -0.30 0.00 1.62 3.04 -1.26 -5.13 114.94 107.33 1xxr s ASN 138 Ca -0.13 0.76 0.00 0.00 0.04 0.00 0.00 52.86 53.53 1xxr s ASN 138 Cb 0.06 0.73 0.00 0.00 -1.54 0.00 0.00 41.25 40.50 1xxr s ASN 138 CO 0.79 -0.20 0.00 0.61 -3.04 0.00 0.00 177.10 175.27 1xxr n GLY 139 N 4.54 1.17 3.04 1.21 0.00 -1.26 -4.97 105.19 108.92 1xxr n GLY 139 Ca -0.20 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.52 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 2.37 -0.13 0.99 1.43 0.94 -4.96 118.68 119.32 1xxr s LEU 140 Ca 0.00 -0.76 -0.27 0.00 -1.03 0.00 0.00 54.13 52.07 1xxr s LEU 140 Cb 0.00 0.15 -0.02 0.00 0.03 0.00 0.00 46.19 46.35 1xxr s LEU 140 CO 0.00 -0.45 0.88 -0.63 0.23 0.00 0.00 176.35 176.38 1xxr s ILE 141 N -2.74 4.87 0.00 -0.59 1.01 -1.26 -1.07 121.20 121.42 1xxr s ILE 141 Ca -0.04 1.77 0.00 0.00 0.00 0.00 0.00 60.65 62.38 1xxr s ILE 141 Cb -0.01 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1xxr s ILE 141 CO -0.06 0.06 0.94 1.33 0.00 0.00 0.00 174.94 177.21 1xxr n VAL 142 N 4.51 0.89 -3.62 2.92 0.24 0.35 -4.56 118.33 119.05 1xxr n VAL 142 Ca 0.05 -0.93 -0.05 0.00 -2.04 0.00 0.00 64.34 61.37 1xxr n VAL 142 Cb 0.49 0.56 -0.05 0.00 -1.47 0.00 0.00 33.84 33.37 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 -0.89 -0.04 0.09 7.63 0.00 -1.21 -0.04 107.32 112.86 1xxr s GLY 143 Ca 0.00 2.55 0.08 0.00 0.00 0.00 0.00 44.72 47.36 1xxr s GLY 143 CO 0.00 1.11 -0.19 -1.36 0.00 0.00 0.00 173.10 172.66 1xxr s PHE 144 N -1.01 2.52 0.16 1.90 0.08 -1.26 -0.81 117.98 119.57 1xxr s PHE 144 Ca 0.05 -0.28 -0.08 0.00 0.12 0.00 0.00 56.93 56.75 1xxr s PHE 144 Cb -0.01 -1.38 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 1xxr s PHE 144 CO -0.05 0.33 0.25 -1.59 -0.10 0.00 0.00 175.22 174.07 1xxr s LYS 145 N -1.86 1.14 0.00 0.44 -2.85 -0.82 -1.57 119.74 114.22 1xxr s LYS 145 Ca 0.16 -1.23 0.00 0.00 -1.00 0.00 0.00 55.97 53.90 1xxr s LYS 145 Cb -0.10 0.36 0.00 0.00 -2.06 0.00 0.00 37.83 36.02 1xxr s LYS 145 CO 0.08 -0.41 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1xxr n GLY 146 N -0.21 -0.62 2.98 0.59 0.00 0.01 0.13 105.19 108.07 1xxr n GLY 146 Ca -0.06 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.99 0.13 -0.02 1.61 0.52 -0.53 -0.46 118.95 119.21 1xxr s ARG 147 Ca 0.00 0.17 -0.05 0.00 -0.52 0.00 0.00 55.73 55.34 1xxr s ARG 147 Cb 0.00 0.04 0.00 0.00 0.52 0.00 0.00 34.95 35.51 1xxr s ARG 147 CO 0.00 -0.03 0.10 -1.12 0.02 0.00 0.00 175.30 174.27 1xxr s SER 148 N 0.16 -0.01 0.00 0.23 0.01 -0.02 -0.31 113.70 113.77 1xxr s SER 148 Ca -0.01 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.20 1xxr s SER 148 Cb -0.02 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.42 1xxr s SER 148 CO -0.00 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1xxr n GLY 149 N 2.17 2.91 0.14 3.44 0.00 -1.26 -0.11 105.19 112.47 1xxr n GLY 149 Ca -0.18 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 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 0.33 -4.40 1.61 -1.00 -1.90 -3.31 116.94 108.27 1xxr h PHE 150 Ca 0.00 -0.17 -0.42 0.00 2.81 0.00 0.00 57.97 60.19 1xxr h PHE 150 Cb 0.00 -0.04 -0.09 0.00 3.61 0.00 0.00 35.95 39.42 1xxr h PHE 150 CO 0.00 0.95 -0.36 1.33 -1.61 0.00 0.00 178.31 178.62 1xxr n VAL 151 N -3.72 0.00 -2.66 -0.55 0.24 -1.26 0.09 118.33 110.47 1xxr n VAL 151 Ca -0.04 -1.83 -0.43 0.00 -2.04 0.00 0.00 64.34 60.01 1xxr n VAL 151 Cb 0.77 0.70 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 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 -2.77 4.24 0.08 3.34 1.01 0.48 -4.41 120.40 122.37 1xxr s VAL 152 Ca 0.18 0.99 -0.14 0.00 0.00 0.00 0.00 61.98 63.01 1xxr s VAL 152 Cb 0.01 -4.59 -0.20 0.00 0.00 0.00 0.00 36.38 31.59 1xxr s VAL 152 CO 0.13 -1.05 1.23 0.44 0.00 0.00 0.00 175.10 175.85 1xxr h ASP 153 N 9.27 0.91 -5.12 3.32 3.32 -0.98 0.18 116.42 127.33 1xxr h ASP 153 Ca -0.24 -0.70 -0.06 0.00 0.02 0.00 0.00 57.03 56.06 1xxr h ASP 153 Cb 1.06 -0.27 -0.13 0.00 0.22 0.00 0.00 39.33 40.21 1xxr h ASP 153 CO 1.12 1.47 -0.14 0.00 -1.72 0.00 0.00 179.24 179.97 1xxr s ALA 154 N -3.48 -0.67 -0.02 3.45 0.00 -1.04 -1.18 121.76 118.82 1xxr s ALA 154 Ca -0.10 -0.31 -0.12 0.00 0.00 0.00 0.00 51.96 51.43 1xxr s ALA 154 Cb 0.07 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.92 1xxr s ALA 154 CO 0.91 -0.65 0.25 -1.50 0.00 0.00 0.00 175.76 174.77 1xxr s ILE 155 N -3.85 0.06 0.25 0.00 2.07 -0.39 -1.45 121.20 117.89 1xxr s ILE 155 Ca 0.07 -0.49 -0.08 0.00 -1.41 0.00 0.00 60.65 58.74 1xxr s ILE 155 Cb 0.02 -0.52 -0.01 0.00 0.13 0.00 0.00 42.46 42.08 1xxr s ILE 155 CO -0.08 -0.27 0.38 -0.83 -1.91 0.00 0.00 174.94 172.23 1xxr s GLY 156 N -1.15 0.97 0.02 1.50 0.00 0.12 -1.21 107.32 107.56 1xxr s GLY 156 Ca -0.12 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.39 1xxr s GLY 156 CO 0.03 -0.91 -0.06 -1.36 0.00 0.00 0.00 173.10 170.80 1xxr s PHE 157 N -3.88 0.49 -0.14 1.90 0.40 -0.30 -1.95 117.98 114.51 1xxr s PHE 157 Ca 0.29 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 56.12 1xxr s PHE 157 Cb 0.02 -0.31 -0.05 0.00 0.51 0.00 0.00 43.02 43.19 1xxr s PHE 157 CO 0.12 -0.08 0.27 -1.01 0.70 0.00 0.00 175.22 175.22 1xxr s HIS 158 N -1.00 3.52 0.11 0.36 3.76 0.01 -1.21 115.29 120.84 1xxr s HIS 158 Ca -0.08 0.61 0.11 0.00 -0.15 0.00 0.00 55.06 55.55 1xxr s HIS 158 Cb -0.07 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 1xxr s HIS 158 CO -0.00 0.38 -0.27 -0.51 -0.85 0.00 0.00 174.74 173.49 1xxr s LEU 159 N 0.01 2.29 0.05 0.89 1.43 0.10 -0.50 118.68 122.95 1xxr s LEU 159 Ca 0.16 -0.72 -0.22 0.00 -1.03 0.00 0.00 54.13 52.32 1xxr s LEU 159 Cb -0.13 -1.22 0.05 0.00 0.03 0.00 0.00 46.19 44.92 1xxr s LEU 159 CO 0.05 0.19 0.52 -0.55 0.23 0.00 0.00 176.35 176.79 1xxr s SER 160 N -1.90 -0.45 0.00 2.29 0.15 -0.23 -2.82 113.70 110.74 1xxr s SER 160 Ca 0.13 0.17 0.31 0.00 0.70 0.00 0.00 55.95 57.27 1xxr s SER 160 Cb -0.10 0.50 1.85 0.00 -1.71 0.00 0.00 66.02 66.56 1xxr s SER 160 CO 0.05 -0.73 2.18 0.18 1.20 0.00 0.00 173.24 176.12