#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yud s ASN 3 N 0.00 1.25 0.57 1.69 2.47 -1.26 -4.89 114.94 114.77 1yud s ASN 3 Ca 0.00 0.40 0.33 0.00 0.42 0.00 0.00 52.86 54.00 1yud s ASN 3 Cb 0.00 -0.48 1.72 0.00 -1.45 0.00 0.00 41.25 41.04 1yud s ASN 3 CO 0.00 -3.89 2.16 0.00 -3.72 0.00 0.00 177.10 171.64 1yud h ALA 4 N -2.43 1.21 -0.48 1.71 0.00 -1.99 -2.74 119.26 114.55 1yud h ALA 4 Ca -0.43 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.49 1yud h ALA 4 Cb 1.26 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 1yud h ALA 4 CO 0.30 0.07 0.16 -0.44 0.00 0.00 0.00 179.25 179.34 1yud h ASP 5 N 0.00 0.14 -0.88 0.00 3.32 -1.99 -0.86 116.42 116.15 1yud h ASP 5 Ca -0.00 0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.16 1yud h ASP 5 Cb 0.24 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 1yud h ASP 5 CO 0.01 0.11 0.58 0.44 -1.72 0.00 0.00 179.24 178.65 1yud h ASP 6 N 0.32 0.90 0.22 6.45 5.19 -1.83 0.17 116.42 127.84 1yud h ASP 6 Ca 0.23 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1yud h ASP 6 Cb 0.25 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1yud h ASP 6 CO -0.25 0.60 -0.10 -0.26 -3.12 0.00 0.00 179.24 176.11 1yud h PHE 7 N 1.03 -0.27 -0.76 4.55 -1.00 -1.45 0.29 116.94 119.33 1yud h PHE 7 Ca 0.37 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 61.18 1yud h PHE 7 Cb 0.13 0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.74 1yud h PHE 7 CO -0.00 0.13 0.50 0.97 -1.61 0.00 0.00 178.31 178.29 1yud h ILE 8 N -0.82 1.09 0.33 -0.55 2.10 -1.05 0.62 117.51 119.23 1yud h ILE 8 Ca -0.03 -0.30 -0.02 0.00 1.08 0.00 0.00 64.86 65.59 1yud h ILE 8 Cb 0.51 0.12 0.00 0.00 -1.09 0.00 0.00 36.82 36.37 1yud h ILE 8 CO 0.05 0.16 -0.16 0.50 -1.08 0.00 0.00 178.15 177.62 1yud h LYS 9 N 0.88 -0.42 -0.31 2.19 3.64 -0.67 0.37 116.57 122.26 1yud h LYS 9 Ca 0.31 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1yud h LYS 9 Cb 0.12 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1yud h LYS 9 CO -0.10 -0.28 0.15 0.74 -2.27 0.00 0.00 179.45 177.69 1yud h PHE 10 N -0.90 0.44 0.00 1.91 0.04 -0.36 -2.31 116.94 115.76 1yud h PHE 10 Ca -0.05 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1yud h PHE 10 Cb 0.34 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1yud h PHE 10 CO 0.02 0.39 0.00 1.28 -0.60 0.00 0.00 178.31 179.40 1yud n LEU 11 N -4.77 0.00 -3.89 1.54 4.77 0.22 -4.91 117.00 109.96 1yud n LEU 11 Ca -0.02 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.70 1yud n LEU 11 Cb 0.10 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1yud n LEU 11 CO 0.35 0.00 -0.19 -0.62 -1.33 0.00 0.00 177.39 175.60 1yud n GLU 12 N -0.82 -3.11 -2.56 3.23 1.02 -0.87 -4.92 120.64 112.61 1yud n GLU 12 Ca 0.14 0.43 -0.39 0.00 -0.02 0.00 0.00 57.16 57.32 1yud n GLU 12 Cb 0.06 -4.51 -0.05 0.00 -0.02 0.00 0.00 31.44 26.93 1yud n GLU 12 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1yud s LEU 13 N -6.87 4.39 0.00 -4.62 1.43 0.13 -4.86 118.68 108.28 1yud s LEU 13 Ca 0.08 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.28 1yud s LEU 13 Cb -0.03 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.33 1yud s LEU 13 CO 0.88 -0.23 0.00 -0.62 0.23 0.00 0.00 176.35 176.61 1yud n GLU 14 N 0.71 2.00 -4.01 1.70 -0.58 0.32 -4.88 120.64 115.89 1yud n GLU 14 Ca 0.01 0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.44 1yud n GLU 14 Cb 0.47 0.00 -0.16 0.00 -0.57 0.00 0.00 31.44 31.19 1yud n GLU 14 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1yud s GLN 15 N 1.26 2.09 0.34 3.49 0.74 -1.26 -3.06 119.66 123.26 1yud s GLN 15 Ca 0.00 -0.97 -0.27 0.00 0.05 0.00 0.00 55.36 54.18 1yud s GLN 15 Cb 0.00 -2.55 -0.09 0.00 1.10 0.00 0.00 33.01 31.47 1yud s GLN 15 CO 0.00 -0.46 1.07 -1.58 -0.55 0.00 0.00 175.29 173.77 1yud s HIS 16 N 1.33 3.42 0.24 1.67 5.65 0.15 -4.84 115.29 122.91 1yud s HIS 16 Ca -0.03 1.68 0.04 0.00 0.25 0.00 0.00 55.06 56.99 1yud s HIS 16 Cb -0.17 -3.20 0.28 0.00 -1.18 0.00 0.00 32.58 28.31 1yud s HIS 16 CO -0.08 -0.58 1.59 -0.24 -0.65 0.00 0.00 174.74 174.78 1yud h VAL 17 N 2.62 1.36 0.00 0.89 3.04 -2.00 -2.78 116.25 119.38 1yud h VAL 17 Ca -0.47 -1.84 0.00 0.00 -1.01 0.00 0.00 66.70 63.37 1yud h VAL 17 Cb 1.21 1.89 0.00 0.00 -2.01 0.00 0.00 31.29 32.38 1yud h VAL 17 CO 0.64 0.55 0.00 -1.84 -1.01 0.00 0.00 177.57 175.91 1yud n GLU 18 N -3.92 0.55 -0.37 4.17 0.28 -1.26 -4.84 120.64 115.25 1yud n GLU 18 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 1yud n GLU 18 Cb 0.58 -1.29 0.00 0.00 1.43 0.00 0.00 31.44 32.17 1yud n GLU 18 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yud n GLY 19 N 0.09 -0.64 0.00 -1.84 0.00 -1.05 -0.84 105.19 100.91 1yud n GLY 19 Ca 0.08 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1yud n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yud n GLY 20 N 0.54 0.75 2.98 -0.02 0.00 -1.21 -4.08 105.19 104.14 1yud n GLY 20 Ca 0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 1yud n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yud s PHE 21 N -2.41 0.94 0.00 1.61 0.08 -1.12 0.30 117.98 117.38 1yud s PHE 21 Ca 0.00 -0.26 0.00 0.00 0.12 0.00 0.00 56.93 56.79 1yud s PHE 21 Cb 0.00 -0.71 0.00 0.00 -0.57 0.00 0.00 43.02 41.74 1yud s PHE 21 CO 0.00 -0.14 0.00 2.48 -0.10 0.00 0.00 175.22 177.46 1yud n TYR 22 N 3.51 0.00 0.00 0.36 0.18 -1.17 -0.29 117.16 119.74 1yud n TYR 22 Ca -0.20 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.58 1yud n TYR 22 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 1yud n TYR 22 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 1yud n ARG 23 N 0.00 0.00 -1.49 -3.48 0.63 -1.26 0.12 116.66 111.18 1yud n ARG 23 Ca 0.00 0.00 -0.56 0.00 -0.92 0.00 0.00 57.85 56.37 1yud n ARG 23 Cb 0.00 0.00 -0.08 0.00 0.45 0.00 0.00 32.46 32.83 1yud n ARG 23 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1yud n SER 24 N 0.00 1.82 0.00 6.15 2.88 -1.26 -2.30 113.62 120.91 1yud n SER 24 Ca 0.00 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.26 1yud n SER 24 Cb 0.00 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 1yud n SER 24 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1yud n SER 25 N 7.62 0.00 -4.33 -3.46 7.64 -0.36 -4.91 113.62 115.82 1yud n SER 25 Ca 0.40 0.15 -0.21 0.00 1.01 0.00 0.00 58.87 60.21 1yud n SER 25 Cb 0.12 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.22 1yud n SER 25 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1yud s TYR 26 N -0.30 1.83 -0.00 1.43 1.51 -1.09 -5.01 117.35 115.72 1yud s TYR 26 Ca 0.00 -1.09 -0.03 0.00 -1.01 0.00 0.00 57.07 54.94 1yud s TYR 26 Cb 0.00 -1.17 -0.00 0.00 -0.11 0.00 0.00 41.96 40.68 1yud s TYR 26 CO 0.00 -0.15 0.05 0.50 -1.11 0.00 0.00 175.55 174.85 1yud s ARG 27 N -3.88 0.28 0.46 -0.62 6.06 -1.26 -2.34 118.95 117.65 1yud s ARG 27 Ca 0.34 -0.29 -0.07 0.00 -2.50 0.00 0.00 55.73 53.20 1yud s ARG 27 Cb 0.07 0.11 0.11 0.00 0.06 0.00 0.00 34.95 35.30 1yud s ARG 27 CO 0.15 -0.05 0.26 0.45 -2.50 0.00 0.00 175.30 173.60 1yud n SER 28 N 2.08 -2.51 -2.40 -2.12 2.88 -0.12 -4.98 113.62 106.45 1yud n SER 28 Ca -0.19 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 1yud n SER 28 Cb 0.57 -0.31 0.05 0.00 -0.75 0.00 0.00 64.21 63.76 1yud n SER 28 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1yud n GLU 29 N -2.81 1.18 -3.48 -1.46 1.02 -1.26 -4.91 120.64 108.92 1yud n GLU 29 Ca 0.04 -2.70 -0.15 0.00 -0.02 0.00 0.00 57.16 54.34 1yud n GLU 29 Cb 0.18 -0.83 -0.04 0.00 -0.02 0.00 0.00 31.44 30.73 1yud n GLU 29 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1yud s THR 30 N -2.16 0.00 0.16 2.62 -4.23 -1.26 -5.11 115.64 105.66 1yud s THR 30 Ca 0.25 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.79 1yud s THR 30 Cb 0.34 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 73.13 1yud s THR 30 CO -0.08 0.00 -0.07 0.00 -0.54 0.00 0.00 174.62 173.93 1yud s ALA 31 N -2.30 1.46 0.20 3.99 0.00 -1.26 -2.14 121.76 121.71 1yud s ALA 31 Ca -0.05 -1.54 -0.05 0.00 0.00 0.00 0.00 51.96 50.32 1yud s ALA 31 Cb -0.00 0.20 0.13 0.00 0.00 0.00 0.00 23.12 23.44 1yud s ALA 31 CO -0.00 -0.16 1.56 0.35 0.00 0.00 0.00 175.76 177.50 1yud h PHE 32 N 2.73 0.84 -2.58 0.00 -0.00 -1.71 -3.47 116.94 112.75 1yud h PHE 32 Ca -0.37 -0.24 0.04 0.00 -0.00 0.00 0.00 57.97 57.40 1yud h PHE 32 Cb 1.20 -0.18 -0.14 0.00 -0.00 0.00 0.00 35.95 36.82 1yud h PHE 32 CO 0.62 0.98 0.34 0.16 -0.00 0.00 0.00 178.31 180.41 1yud s ASP 33 N -6.84 -0.48 0.00 0.41 3.84 -1.26 -5.02 116.67 107.32 1yud s ASP 33 Ca -0.09 0.06 0.00 0.00 -0.00 0.00 0.00 52.55 52.52 1yud s ASP 33 Cb 0.12 0.49 0.00 0.00 -1.38 0.00 0.00 42.92 42.15 1yud s ASP 33 CO 0.84 -0.78 0.09 -2.65 -0.00 0.00 0.00 175.17 172.67 1yud n PRO 34 N -0.20 0.16 -0.07 2.11 -0.02 -1.26 -2.55 135.00 133.16 1yud n PRO 34 Ca -0.13 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.21 1yud n PRO 34 Cb 0.63 -1.07 -0.06 0.00 -0.02 0.00 0.00 33.50 32.98 1yud n PRO 34 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1yud n SER 35 N 0.34 1.73 -4.78 2.55 3.41 -1.26 -5.05 113.62 110.56 1yud n SER 35 Ca 0.00 0.09 -0.29 0.00 -0.26 0.00 0.00 58.87 58.40 1yud n SER 35 Cb 0.04 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.57 1yud n SER 35 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1yud s ARG 36 N -2.27 2.19 0.00 4.33 1.81 -1.06 -5.04 118.95 118.91 1yud s ARG 36 Ca -0.20 -2.17 0.00 0.00 -1.72 0.00 0.00 55.73 51.64 1yud s ARG 36 Cb 0.07 -1.77 0.00 0.00 -0.45 0.00 0.00 34.95 32.80 1yud s ARG 36 CO 0.28 -0.35 0.00 1.04 -0.68 0.00 0.00 175.30 175.59 1yud n GLN 37 N -1.35 3.20 -0.10 3.54 1.13 -1.09 -4.17 117.38 118.55 1yud n GLN 37 Ca -0.10 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.81 1yud n GLN 37 Cb 0.66 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.95 1yud n GLN 37 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1yud n LEU 38 N 0.00 1.88 -3.75 1.08 7.94 -0.91 -0.91 117.00 122.34 1yud n LEU 38 Ca 0.00 0.45 -0.12 0.00 -1.11 0.00 0.00 56.01 55.23 1yud n LEU 38 Cb 0.00 -0.85 -0.07 0.00 0.53 0.00 0.00 43.42 43.02 1yud n LEU 38 CO 0.00 -0.02 0.04 -1.66 -1.11 0.00 0.00 177.39 174.65 1yud s TRP 39 N -2.48 -0.13 -0.38 1.96 1.48 -1.26 -2.00 118.94 116.12 1yud s TRP 39 Ca -0.27 0.05 0.02 0.00 -1.06 0.00 0.00 56.10 54.84 1yud s TRP 39 Cb 0.06 0.11 0.15 0.00 -1.16 0.00 0.00 33.47 32.63 1yud s TRP 39 CO 0.42 -0.49 0.31 -1.54 -4.06 0.00 0.00 176.95 171.59 1yud s SER 40 N -1.92 1.90 0.39 -2.66 1.04 -1.25 -0.95 113.70 110.24 1yud s SER 40 Ca -0.07 -2.32 -0.26 0.00 0.48 0.00 0.00 55.95 53.79 1yud s SER 40 Cb -0.02 -0.10 -0.09 0.00 0.10 0.00 0.00 66.02 65.92 1yud s SER 40 CO -0.02 -0.24 1.16 -0.55 0.98 0.00 0.00 173.24 174.57 1yud s SER 41 N 0.82 6.62 0.12 7.02 0.15 -0.99 -3.93 113.70 123.51 1yud s SER 41 Ca 0.23 2.32 -0.09 0.00 0.70 0.00 0.00 55.95 59.11 1yud s SER 41 Cb -0.12 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.57 1yud s SER 41 CO -0.06 -0.61 0.23 0.27 1.20 0.00 0.00 173.24 174.27 1yud s ILE 42 N -1.41 0.11 0.58 6.45 -4.36 0.82 -1.22 121.20 122.16 1yud s ILE 42 Ca 0.56 -1.28 -0.01 0.00 -0.26 0.00 0.00 60.65 59.65 1yud s ILE 42 Cb -0.30 -1.58 0.12 0.00 1.25 0.00 0.00 42.46 41.95 1yud s ILE 42 CO 0.38 -0.49 0.79 -1.22 0.24 0.00 0.00 174.94 174.64 1yud n TYR 43 N -0.13 -3.11 -3.61 1.37 4.01 -0.97 -1.45 117.16 113.26 1yud n TYR 43 Ca -0.11 -1.32 0.02 0.00 -0.16 0.00 0.00 57.90 56.32 1yud n TYR 43 Cb 0.63 -0.58 -0.06 0.00 -0.31 0.00 0.00 39.34 39.02 1yud n TYR 43 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1yud s PHE 44 N -2.39 -0.13 0.06 -0.72 2.19 -0.26 -4.04 117.98 112.68 1yud s PHE 44 Ca 0.52 0.26 0.06 0.00 0.33 0.00 0.00 56.93 58.09 1yud s PHE 44 Cb -0.03 0.08 -0.03 0.00 -1.31 0.00 0.00 43.02 41.73 1yud s PHE 44 CO 0.34 -0.07 -0.16 -1.17 1.83 0.00 0.00 175.22 176.00 1yud s LEU 45 N 1.16 2.22 -0.20 6.12 2.96 0.60 -0.56 118.68 130.98 1yud s LEU 45 Ca -0.08 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.30 1yud s LEU 45 Cb -0.02 -0.68 0.03 0.00 0.50 0.00 0.00 46.19 46.02 1yud s LEU 45 CO -0.11 0.03 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.57 1yud s LEU 46 N -1.43 2.40 0.66 -0.68 2.96 -0.19 -2.78 118.68 119.62 1yud s LEU 46 Ca 0.02 -0.85 -0.06 0.00 -0.22 0.00 0.00 54.13 53.03 1yud s LEU 46 Cb -0.09 -1.41 0.04 0.00 0.50 0.00 0.00 46.19 45.24 1yud s LEU 46 CO 0.02 -0.08 0.97 -0.60 -1.32 0.00 0.00 176.35 175.34 1yud s ARG 47 N 1.29 2.47 0.59 1.98 3.52 -1.26 -2.31 118.95 125.24 1yud s ARG 47 Ca 0.01 -0.18 0.30 0.00 -0.13 0.00 0.00 55.73 55.72 1yud s ARG 47 Cb -0.15 -2.22 1.28 0.00 -1.56 0.00 0.00 34.95 32.30 1yud s ARG 47 CO -0.10 -1.03 1.62 1.15 -0.81 0.00 0.00 175.30 176.13 1yud h THR 48 N -0.42 0.19 -0.54 4.11 2.02 -1.91 0.22 112.91 116.57 1yud h THR 48 Ca -0.45 0.00 -0.39 0.00 0.77 0.00 0.00 66.41 66.35 1yud h THR 48 Cb 1.29 0.30 -0.37 0.00 -1.74 0.00 0.00 68.15 67.64 1yud h THR 48 CO 0.60 0.00 -0.86 0.61 0.37 0.00 0.00 175.52 176.24 1yud n GLY 49 N -1.64 4.87 3.51 2.16 0.00 -1.26 -4.97 105.19 107.86 1yud n GLY 49 Ca 0.19 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 1yud n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yud s GLU 50 N -3.42 1.84 -0.04 1.61 0.41 0.75 -5.10 118.70 114.75 1yud s GLU 50 Ca 0.43 -1.33 -0.23 0.00 -0.41 0.00 0.00 54.97 53.43 1yud s GLU 50 Cb 0.38 -2.05 0.05 0.00 -1.78 0.00 0.00 34.13 30.73 1yud s GLU 50 CO -0.00 0.43 0.50 0.14 -0.49 0.00 0.00 175.26 175.84 1yud s VAL 51 N -1.59 0.03 -0.48 2.63 -7.23 -1.26 -4.74 120.40 107.75 1yud s VAL 51 Ca 0.22 -0.22 -0.20 0.00 -1.81 0.00 0.00 61.98 59.97 1yud s VAL 51 Cb -0.09 -0.81 0.04 0.00 0.56 0.00 0.00 36.38 36.08 1yud s VAL 51 CO 0.13 -0.12 0.67 -0.55 -0.31 0.00 0.00 175.10 174.91 1yud s SER 52 N -1.15 6.28 0.25 4.85 0.15 0.49 -4.48 113.70 120.09 1yud s SER 52 Ca -0.11 -0.56 -0.30 0.00 0.70 0.00 0.00 55.95 55.67 1yud s SER 52 Cb -0.03 -2.32 -0.11 0.00 -1.71 0.00 0.00 66.02 61.86 1yud s SER 52 CO 0.07 -0.87 1.53 -1.00 1.20 0.00 0.00 173.24 174.17 1yud s HIS 53 N 2.86 2.93 -0.50 3.44 3.76 -0.02 -2.71 115.29 125.06 1yud s HIS 53 Ca 0.20 0.85 -0.45 0.00 -0.15 0.00 0.00 55.06 55.51 1yud s HIS 53 Cb -0.16 -3.94 -0.19 0.00 1.11 0.00 0.00 32.58 29.40 1yud s HIS 53 CO 0.16 -3.18 1.92 1.19 -0.85 0.00 0.00 174.74 173.98 1yud n PHE 54 N 2.61 1.42 -4.43 1.40 0.99 -1.23 -4.80 117.46 113.43 1yud n PHE 54 Ca 0.09 0.92 -0.22 0.00 -0.00 0.00 0.00 57.45 58.23 1yud n PHE 54 Cb 0.39 -2.27 -0.09 0.00 -1.00 0.00 0.00 39.48 36.51 1yud n PHE 54 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.76 173.38 1yud s HIS 55 N 4.77 1.74 0.01 1.38 -3.43 -0.30 -3.29 115.29 116.16 1yud s HIS 55 Ca 1.14 -1.35 -0.16 0.00 -0.80 0.00 0.00 55.06 53.89 1yud s HIS 55 Cb -1.49 -1.01 0.03 0.00 -1.43 0.00 0.00 32.58 28.67 1yud s HIS 55 CO 0.72 -0.43 0.34 0.50 -2.00 0.00 0.00 174.74 173.88 1yud s ARG 56 N -3.72 0.77 0.28 -0.38 3.52 -0.95 -0.97 118.95 117.52 1yud s ARG 56 Ca 0.30 -0.30 0.06 0.00 -0.13 0.00 0.00 55.73 55.67 1yud s ARG 56 Cb 0.04 0.34 -0.06 0.00 -1.56 0.00 0.00 34.95 33.71 1yud s ARG 56 CO 0.17 -0.24 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.87 1yud s LEU 57 N -1.66 2.47 -0.03 -0.88 1.02 -1.26 -2.61 118.68 115.73 1yud s LEU 57 Ca -0.09 -1.20 0.11 0.00 0.02 0.00 0.00 54.13 52.96 1yud s LEU 57 Cb -0.03 -0.63 0.36 0.00 0.02 0.00 0.00 46.19 45.91 1yud s LEU 57 CO 0.01 -0.36 1.25 0.41 0.02 0.00 0.00 176.35 177.68 1yud n THR 58 N -0.59 0.73 -3.81 5.49 -1.04 -1.25 -2.85 114.28 110.95 1yud n THR 58 Ca -0.05 -0.56 -0.10 0.00 -2.04 0.00 0.00 64.05 61.30 1yud n THR 58 Cb 0.64 0.10 -0.05 0.00 -1.82 0.00 0.00 70.33 69.20 1yud n THR 58 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yud s ALA 59 N -1.59 -0.64 0.79 2.41 0.00 -1.26 -4.96 121.76 116.51 1yud s ALA 59 Ca 0.26 -0.43 -0.11 0.00 0.00 0.00 0.00 51.96 51.68 1yud s ALA 59 Cb 0.15 0.85 0.07 0.00 0.00 0.00 0.00 23.12 24.19 1yud s ALA 59 CO 0.15 -0.76 1.09 -0.51 0.00 0.00 0.00 175.76 175.73 1yud s ASP 60 N -2.90 4.47 0.00 0.00 -0.00 -1.26 -4.03 116.67 112.94 1yud s ASP 60 Ca 0.12 1.50 0.00 0.00 -0.00 0.00 0.00 52.55 54.16 1yud s ASP 60 Cb 0.00 -2.25 0.00 0.00 -0.00 0.00 0.00 42.92 40.68 1yud s ASP 60 CO -0.02 -2.01 0.00 1.21 -0.00 0.00 0.00 175.17 174.35 1yud n GLU 61 N -3.48 0.00 -3.15 8.23 2.13 -0.74 -0.12 120.64 123.51 1yud n GLU 61 Ca 0.07 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.94 1yud n GLU 61 Cb 0.55 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.26 1yud n GLU 61 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1yud s TRP 63 N -4.44 -1.04 -0.32 4.31 0.52 -0.45 -1.41 118.94 116.11 1yud s TRP 63 Ca 0.00 0.65 -0.18 0.00 0.02 0.00 0.00 56.10 56.59 1yud s TRP 63 Cb 0.00 0.19 -0.01 0.00 -1.15 0.00 0.00 33.47 32.50 1yud s TRP 63 CO 0.00 -0.60 0.53 0.71 0.02 0.00 0.00 176.95 177.61 1yud s TYR 64 N 2.91 3.21 0.22 -1.98 2.02 -1.21 -2.81 117.35 119.70 1yud s TYR 64 Ca 0.19 0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.97 1yud s TYR 64 Cb -0.06 -2.87 -0.09 0.00 -0.40 0.00 0.00 41.96 38.54 1yud s TYR 64 CO -0.23 -0.45 1.25 0.12 -1.57 0.00 0.00 175.55 174.67 1yud s PHE 65 N 2.40 3.33 0.00 2.71 5.36 0.35 -0.93 117.98 131.20 1yud s PHE 65 Ca 0.20 1.36 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1yud s PHE 65 Cb -0.15 -3.52 0.00 0.00 -0.34 0.00 0.00 43.02 39.01 1yud s PHE 65 CO 0.12 -1.50 0.00 0.72 -1.46 0.00 0.00 175.22 173.10 1yud n HIS 66 N 2.25 0.00 -4.11 10.12 8.25 -0.03 -4.92 115.22 126.79 1yud n HIS 66 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.35 1yud n HIS 66 Cb 0.44 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 1yud n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yud s ALA 67 N -3.86 0.89 0.00 -1.41 0.00 -1.19 -4.99 121.76 111.20 1yud s ALA 67 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.37 1yud s ALA 67 Cb 0.00 1.18 0.00 0.00 0.00 0.00 0.00 23.12 24.30 1yud s ALA 67 CO 0.00 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.39 1yud n GLY 68 N -0.58 -1.78 3.73 0.00 0.00 -1.26 -0.57 105.19 104.73 1yud n GLY 68 Ca 0.02 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.97 1yud n GLY 68 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1yud s GLN 69 N 0.00 1.42 -0.49 1.61 2.00 0.54 -4.89 119.66 119.85 1yud s GLN 69 Ca 0.00 0.80 -0.19 0.00 -2.00 0.00 0.00 55.36 53.97 1yud s GLN 69 Cb 0.00 -1.83 0.05 0.00 0.80 0.00 0.00 33.01 32.03 1yud s GLN 69 CO 0.00 -2.12 0.61 -1.12 -0.50 0.00 0.00 175.29 172.16 1yud s SER 70 N -3.50 6.23 0.59 6.67 0.01 -1.26 -4.66 113.70 117.77 1yud s SER 70 Ca 0.63 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 57.04 1yud s SER 70 Cb -0.17 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1yud s SER 70 CO 0.56 -0.86 0.00 0.18 0.41 0.00 0.00 173.24 173.54 1yud n LEU 71 N 6.12 0.00 -3.63 2.44 4.77 -0.96 -4.03 117.00 121.72 1yud n LEU 71 Ca -0.06 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.76 1yud n LEU 71 Cb 0.46 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.47 1yud n LEU 71 CO 0.53 -1.20 0.28 -0.89 -1.33 0.00 0.00 177.39 174.78 1yud s THR 72 N -0.59 0.02 -0.02 -5.08 2.01 -1.23 -3.54 115.64 107.22 1yud s THR 72 Ca 0.00 -0.13 0.06 0.00 0.31 0.00 0.00 61.69 61.92 1yud s THR 72 Cb 0.00 -0.84 -0.01 0.00 0.01 0.00 0.00 72.50 71.66 1yud s THR 72 CO 0.00 -0.07 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.05 1yud s ILE 73 N -0.83 1.43 0.28 1.82 1.01 -1.00 -1.86 121.20 122.06 1yud s ILE 73 Ca -0.09 -0.77 0.10 0.00 0.00 0.00 0.00 60.65 59.89 1yud s ILE 73 Cb -0.03 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.20 1yud s ILE 73 CO 0.06 0.41 -0.15 -0.31 0.00 0.00 0.00 174.94 174.94 1yud s TYR 74 N -0.41 2.19 0.00 3.97 1.51 -1.20 -2.26 117.35 121.16 1yud s TYR 74 Ca 0.07 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1yud s TYR 74 Cb -0.07 -1.06 0.00 0.00 -0.11 0.00 0.00 41.96 40.72 1yud s TYR 74 CO -0.01 0.59 0.00 1.51 -1.11 0.00 0.00 175.55 176.54 1yud n ILE 76 N -0.62 0.00 -2.96 2.71 3.06 -0.81 0.11 119.36 120.85 1yud n ILE 76 Ca -0.06 0.00 -0.25 0.00 -2.50 0.00 0.00 62.75 59.94 1yud n ILE 76 Cb 0.61 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.79 1yud n ILE 76 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1yud s SER 77 N 0.00 6.12 0.00 9.51 1.04 -0.94 -2.61 113.70 126.81 1yud s SER 77 Ca 0.00 0.59 0.02 0.00 0.48 0.00 0.00 55.95 57.04 1yud s SER 77 Cb 0.00 -1.96 0.11 0.00 0.10 0.00 0.00 66.02 64.26 1yud s SER 77 CO 0.00 -0.55 0.64 -0.81 0.98 0.00 0.00 173.24 173.50 1yud n PRO 78 N -2.08 0.05 -0.03 4.02 -0.04 -1.26 0.52 135.00 136.19 1yud n PRO 78 Ca -0.01 0.04 0.03 0.00 -0.04 0.00 0.00 63.50 63.52 1yud n PRO 78 Cb 0.56 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 1yud n PRO 78 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1yud n GLU 79 N -1.04 0.89 0.00 0.54 4.71 -1.26 -5.02 120.64 119.46 1yud n GLU 79 Ca 0.01 -0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.07 1yud n GLU 79 Cb 0.01 -1.34 0.00 0.00 -1.01 0.00 0.00 31.44 29.09 1yud n GLU 79 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1yud n GLY 80 N 1.84 1.79 3.65 0.62 0.00 0.18 -5.05 105.19 108.23 1yud n GLY 80 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1yud n GLY 80 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1yud s GLU 81 N -0.37 4.19 -0.53 1.61 2.12 -1.26 -4.79 118.70 119.68 1yud s GLU 81 Ca 0.00 0.85 -0.17 0.00 0.36 0.00 0.00 54.97 56.01 1yud s GLU 81 Cb 0.00 -3.63 0.10 0.00 0.26 0.00 0.00 34.13 30.87 1yud s GLU 81 CO 0.00 -0.44 0.51 -1.17 -0.54 0.00 0.00 175.26 173.63 1yud s LEU 82 N 2.56 5.80 0.00 2.70 2.96 -1.26 -2.21 118.68 129.23 1yud s LEU 82 Ca 0.33 -1.53 0.07 0.00 -0.22 0.00 0.00 54.13 52.78 1yud s LEU 82 Cb -0.16 -2.24 0.11 0.00 0.50 0.00 0.00 46.19 44.41 1yud s LEU 82 CO 0.09 -0.84 0.85 0.35 -1.32 0.00 0.00 176.35 175.47 1yud n THR 83 N 5.32 0.00 -3.58 3.68 -2.24 -1.26 -5.03 114.28 111.17 1yud n THR 83 Ca -0.12 -1.80 -0.14 0.00 -2.27 0.00 0.00 64.05 59.72 1yud n THR 83 Cb 0.42 -0.64 -0.06 0.00 -2.10 0.00 0.00 70.33 67.95 1yud n THR 83 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1yud s THR 84 N -2.70 0.00 0.22 4.28 -4.23 -1.26 -4.63 115.64 107.32 1yud s THR 84 Ca 0.62 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 1yud s THR 84 Cb -0.04 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.76 1yud s THR 84 CO 0.40 0.00 0.15 0.00 -0.54 0.00 0.00 174.62 174.62 1yud s ALA 85 N -0.57 1.32 -0.08 3.99 0.00 -0.96 -4.99 121.76 120.47 1yud s ALA 85 Ca -0.05 -1.76 0.01 0.00 0.00 0.00 0.00 51.96 50.16 1yud s ALA 85 Cb -0.02 1.37 0.02 0.00 0.00 0.00 0.00 23.12 24.49 1yud s ALA 85 CO 0.04 -0.59 -0.08 -0.65 0.00 0.00 0.00 175.76 174.49 1yud s GLN 86 N -4.06 1.38 -0.26 0.00 -1.52 -1.26 -2.38 119.66 111.56 1yud s GLN 86 Ca 0.39 -0.25 -0.03 0.00 -1.95 0.00 0.00 55.36 53.53 1yud s GLN 86 Cb 0.06 -1.34 0.03 0.00 -0.22 0.00 0.00 33.01 31.54 1yud s GLN 86 CO 0.14 -0.14 -0.03 -1.17 -0.25 0.00 0.00 175.29 173.84 1yud s LEU 87 N 1.25 3.37 0.00 2.90 2.96 -1.23 -2.07 118.68 125.86 1yud s LEU 87 Ca -0.04 -0.88 0.00 0.00 -0.22 0.00 0.00 54.13 52.98 1yud s LEU 87 Cb -0.14 -1.71 0.00 0.00 0.50 0.00 0.00 46.19 44.85 1yud s LEU 87 CO -0.03 -0.15 0.00 0.61 -1.32 0.00 0.00 176.35 175.46 1yud n GLY 88 N 4.70 0.98 1.16 7.98 0.00 -0.23 -2.26 105.19 117.51 1yud n GLY 88 Ca -0.16 -0.83 0.12 0.00 0.00 0.00 0.00 46.02 45.15 1yud n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yud n LEU 89 N 0.00 3.48 -4.33 0.99 4.77 -1.26 -1.12 117.00 119.52 1yud n LEU 89 Ca 0.00 -1.49 -0.47 0.00 -0.03 0.00 0.00 56.01 54.02 1yud n LEU 89 Cb 0.00 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 40.82 1yud n LEU 89 CO 0.00 0.74 0.40 -0.62 -1.33 0.00 0.00 177.39 176.58 1yud s ASP 90 N -1.50 6.62 0.51 -1.43 3.68 -1.26 -4.85 116.67 118.44 1yud s ASP 90 Ca 0.39 -2.43 0.29 0.00 2.13 0.00 0.00 52.55 52.93 1yud s ASP 90 Cb 0.23 -2.22 1.27 0.00 -1.45 0.00 0.00 42.92 40.75 1yud s ASP 90 CO 0.32 -0.68 1.96 -0.07 0.13 0.00 0.00 175.17 176.83 1yud h LEU 91 N 8.24 0.00 -0.37 -1.34 3.38 -1.87 -3.12 115.31 120.22 1yud h LEU 91 Ca 0.01 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1yud h LEU 91 Cb 1.05 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 1yud h LEU 91 CO 0.84 0.11 -0.26 0.00 0.09 0.00 0.00 178.44 179.23 1yud h ALA 92 N 1.89 -0.06 -3.16 1.53 0.00 -1.89 -3.42 119.26 114.15 1yud h ALA 92 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1yud h ALA 92 Cb 0.54 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1yud h ALA 92 CO 0.01 -0.65 0.00 0.00 0.00 0.00 0.00 179.25 178.61 1yud n ALA 93 N -2.92 0.00 1.22 0.00 0.00 -1.18 -4.92 120.51 112.71 1yud n ALA 93 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.54 1yud n ALA 93 Cb 0.31 0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.31 1yud n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yud n GLY 94 N 5.00 -0.61 3.77 0.00 0.00 -1.26 -4.85 105.19 107.24 1yud n GLY 94 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 1yud n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yud s GLU 95 N -2.00 4.29 -0.00 1.61 2.02 -1.23 -4.53 118.70 118.86 1yud s GLU 95 Ca 0.28 2.29 0.00 0.00 0.02 0.00 0.00 54.97 57.56 1yud s GLU 95 Cb 0.13 -3.04 -0.00 0.00 0.10 0.00 0.00 34.13 31.32 1yud s GLU 95 CO 0.21 -0.27 -0.01 1.03 0.02 0.00 0.00 175.26 176.24 1yud s ARG 96 N -1.88 0.12 0.35 1.61 3.00 -0.88 -4.03 118.95 117.25 1yud s ARG 96 Ca 0.50 -0.07 0.05 0.00 0.00 0.00 0.00 55.73 56.21 1yud s ARG 96 Cb -0.41 -0.10 0.66 0.00 0.00 0.00 0.00 34.95 35.10 1yud s ARG 96 CO 0.55 0.03 1.92 -1.35 0.00 0.00 0.00 175.30 176.45 1yud h PRO 97 N 6.06 0.54 -6.51 3.54 0.11 -1.45 -0.60 132.00 133.69 1yud h PRO 97 Ca -0.25 -0.09 -0.67 0.00 0.11 0.00 0.00 66.00 65.10 1yud h PRO 97 Cb 1.21 -0.09 -0.16 0.00 0.11 0.00 0.00 31.00 32.07 1yud h PRO 97 CO 0.50 0.51 -0.73 -0.65 -0.21 0.00 0.00 178.00 177.42 1yud s GLN 98 N -5.12 2.21 0.17 1.05 -0.21 -1.26 -0.49 119.66 116.01 1yud s GLN 98 Ca -0.08 -0.97 -0.19 0.00 0.02 0.00 0.00 55.36 54.14 1yud s GLN 98 Cb 0.16 -2.35 0.04 0.00 1.00 0.00 0.00 33.01 31.87 1yud s GLN 98 CO 0.76 0.52 0.54 0.12 -2.12 0.00 0.00 175.29 175.11 1yud s PHE 99 N -1.19 -0.29 -0.02 0.91 5.36 -1.12 -5.00 117.98 116.63 1yud s PHE 99 Ca 0.21 -0.01 0.02 0.00 -0.96 0.00 0.00 56.93 56.19 1yud s PHE 99 Cb -0.11 0.44 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 1yud s PHE 99 CO 0.13 -0.87 -0.08 -1.17 -1.46 0.00 0.00 175.22 171.78 1yud s LEU 100 N -2.82 1.84 -0.20 6.12 0.20 -1.26 -1.35 118.68 121.21 1yud s LEU 100 Ca 0.05 -0.16 0.00 0.00 0.69 0.00 0.00 54.13 54.72 1yud s LEU 100 Cb -0.01 -0.46 0.02 0.00 -0.43 0.00 0.00 46.19 45.31 1yud s LEU 100 CO -0.08 0.07 -0.15 0.54 -0.29 0.00 0.00 176.35 176.44 1yud s VAL 101 N 0.09 2.38 0.72 1.68 0.11 -0.50 -5.02 120.40 119.86 1yud s VAL 101 Ca -0.01 -0.95 -0.16 0.00 -2.93 0.00 0.00 61.98 57.94 1yud s VAL 101 Cb -0.07 -2.08 0.03 0.00 -1.53 0.00 0.00 36.38 32.74 1yud s VAL 101 CO 0.00 0.43 1.23 -2.16 -3.33 0.00 0.00 175.10 171.27 1yud s PRO 102 N 1.31 2.19 0.41 1.54 0.04 -1.26 -1.79 135.00 137.43 1yud s PRO 102 Ca 0.03 1.85 -0.24 0.00 0.04 0.00 0.00 61.00 62.68 1yud s PRO 102 Cb -0.14 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 1yud s PRO 102 CO -0.10 -1.82 1.08 -1.59 0.04 0.00 0.00 177.00 174.61 1yud s LYS 103 N -3.78 4.09 0.00 4.56 -2.85 -1.26 -2.89 119.74 117.61 1yud s LYS 103 Ca 0.77 1.58 0.00 0.00 -1.00 0.00 0.00 55.97 57.31 1yud s LYS 103 Cb -0.32 -2.53 0.00 0.00 -2.06 0.00 0.00 37.83 32.93 1yud s LYS 103 CO 0.44 -0.22 0.00 0.41 0.10 0.00 0.00 175.35 176.08 1yud n GLY 104 N 0.38 2.55 3.71 0.59 0.00 -1.13 -4.97 105.19 106.31 1yud n GLY 104 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1yud n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yud s ILE 106 N 1.12 5.08 0.43 0.00 1.01 -1.07 -4.33 121.20 123.44 1yud s ILE 106 Ca 0.47 -0.73 0.05 0.00 0.00 0.00 0.00 60.65 60.43 1yud s ILE 106 Cb -0.20 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.05 1yud s ILE 106 CO 0.23 -0.63 0.02 0.72 0.00 0.00 0.00 174.94 175.28 1yud s PHE 107 N 2.08 2.24 0.00 3.97 -0.71 -0.14 -1.92 117.98 123.50 1yud s PHE 107 Ca 0.09 -0.81 0.00 0.00 -1.04 0.00 0.00 56.93 55.17 1yud s PHE 107 Cb -0.21 -1.65 0.00 0.00 -1.21 0.00 0.00 43.02 39.95 1yud s PHE 107 CO 0.10 0.30 0.00 0.41 -1.34 0.00 0.00 175.22 174.69 1yud n GLY 108 N -1.02 5.39 3.65 1.99 0.00 0.12 -1.15 105.19 114.17 1yud n GLY 108 Ca -0.09 -1.45 -0.02 0.00 0.00 0.00 0.00 46.02 44.46 1yud n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yud s SER 109 N 1.00 -0.03 0.00 1.61 0.15 -1.10 -3.23 113.70 112.10 1yud s SER 109 Ca 0.00 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1yud s SER 109 Cb 0.00 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 1yud s SER 109 CO 0.00 -0.02 0.00 0.00 1.20 0.00 0.00 173.24 174.42 1yud n ALA 110 N 0.73 0.00 0.00 5.45 0.00 -0.77 -0.38 120.51 125.54 1yud n ALA 110 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1yud n ALA 110 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1yud n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1yud n ASN 112 N 0.00 2.67 0.00 0.00 3.02 -1.26 -3.47 115.26 116.22 1yud n ASN 112 Ca 0.00 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 1yud n ASN 112 Cb 0.00 0.84 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 1yud n ASN 112 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1yud n GLN 113 N -1.11 2.64 0.00 3.52 -0.06 -1.26 -5.16 117.38 115.95 1yud n GLN 113 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1yud n GLN 113 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1yud n GLN 113 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1yud n ASP 114 N 0.00 0.00 0.00 1.69 8.00 -1.26 -4.99 116.55 119.99 1yud n ASP 114 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1yud n ASP 114 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1yud n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yud n GLY 115 N 5.00 1.36 0.00 0.44 0.00 -1.26 -4.67 105.19 106.06 1yud n GLY 115 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1yud n GLY 115 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1yud n PHE 116 N 0.00 -0.39 -3.63 1.61 -1.74 -1.26 -3.70 117.46 108.35 1yud n PHE 116 Ca 0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.80 1yud n PHE 116 Cb 0.00 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 40.93 1yud n PHE 116 CO 0.00 0.00 0.00 -1.12 -0.56 0.00 0.00 176.76 175.08 1yud s SER 117 N -0.49 -0.44 -0.05 5.98 0.01 -0.98 0.20 113.70 117.93 1yud s SER 117 Ca 0.00 0.84 0.03 0.00 1.31 0.00 0.00 55.95 58.13 1yud s SER 117 Cb 0.00 0.84 0.00 0.00 0.21 0.00 0.00 66.02 67.08 1yud s SER 117 CO 0.00 -0.16 -0.13 -0.22 0.41 0.00 0.00 173.24 173.14 1yud s LEU 118 N 0.14 1.78 0.06 2.44 2.96 0.27 -1.02 118.68 125.31 1yud s LEU 118 Ca 0.03 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1yud s LEU 118 Cb -0.05 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 45.81 1yud s LEU 118 CO -0.06 0.08 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.30 1yud s VAL 119 N 0.32 0.53 -0.51 1.68 1.01 0.27 -0.85 120.40 122.86 1yud s VAL 119 Ca -0.08 -1.46 0.04 0.00 0.00 0.00 0.00 61.98 60.47 1yud s VAL 119 Cb -0.12 -1.08 0.13 0.00 0.00 0.00 0.00 36.38 35.31 1yud s VAL 119 CO 0.02 -0.64 0.26 -0.83 0.00 0.00 0.00 175.10 173.91 1yud s GLY 120 N -2.26 2.29 0.76 4.51 0.00 -0.11 -1.10 107.32 111.41 1yud s GLY 120 Ca -0.01 -3.14 -0.13 0.00 0.00 0.00 0.00 44.72 41.44 1yud s GLY 120 CO -0.03 1.13 0.98 0.00 0.00 0.00 0.00 173.10 175.17 1yud s VAL 123 N -3.09 0.00 0.00 0.00 -7.23 -1.25 -0.13 120.40 108.70 1yud s VAL 123 Ca 0.56 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.73 1yud s VAL 123 Cb -0.02 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.92 1yud s VAL 123 CO 0.40 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.95 1yud n SER 124 N 1.90 0.00 -4.70 4.85 2.88 0.83 -3.83 113.62 115.55 1yud n SER 124 Ca -0.14 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.12 1yud n SER 124 Cb 0.56 0.00 0.11 0.00 -0.75 0.00 0.00 64.21 64.13 1yud n SER 124 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1yud s PRO 125 N 0.00 1.65 -0.46 -1.46 0.02 -1.25 -4.14 135.00 129.37 1yud s PRO 125 Ca 0.00 -0.11 -0.31 0.00 0.02 0.00 0.00 61.00 60.60 1yud s PRO 125 Cb 0.00 -1.97 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 1yud s PRO 125 CO 0.00 -1.75 2.33 0.41 -0.33 0.00 0.00 177.00 177.66 1yud n GLY 126 N -3.36 0.34 3.41 0.52 0.00 -0.08 -4.55 105.19 101.47 1yud n GLY 126 Ca 0.10 0.87 -0.39 0.00 0.00 0.00 0.00 46.02 46.60 1yud n GLY 126 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1yud n PHE 127 N 11.86 -1.20 -3.65 1.61 7.35 -1.26 -2.67 117.46 129.49 1yud n PHE 127 Ca 0.42 0.47 -0.15 0.00 -0.76 0.00 0.00 57.45 57.43 1yud n PHE 127 Cb 0.32 -1.89 -0.08 0.00 0.35 0.00 0.00 39.48 38.17 1yud n PHE 127 CO 0.00 0.00 0.00 -0.08 -0.76 0.00 0.00 176.76 175.92 1yud s THR 128 N -1.76 0.01 -1.29 -2.13 -1.32 -1.26 -4.80 115.64 103.10 1yud s THR 128 Ca 0.65 -0.10 0.05 0.00 -1.21 0.00 0.00 61.69 61.08 1yud s THR 128 Cb -0.48 -0.80 0.07 0.00 -1.51 0.00 0.00 72.50 69.78 1yud s THR 128 CO 0.58 -0.06 1.05 0.49 -2.21 0.00 0.00 174.62 174.47 1yud n PHE 129 N 1.92 0.00 0.22 9.09 3.72 -1.26 -1.53 117.46 129.62 1yud n PHE 129 Ca -0.17 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.30 1yud n PHE 129 Cb 0.56 -0.36 0.49 0.00 -0.94 0.00 0.00 39.48 39.24 1yud n PHE 129 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1yud h ASP 130 N 0.00 0.00 0.02 4.37 5.19 -2.01 -3.12 116.42 120.87 1yud h ASP 130 Ca 0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 1yud h ASP 130 Cb 0.06 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.58 1yud h ASP 130 CO 0.00 0.27 -0.40 0.44 -3.12 0.00 0.00 179.24 176.42 1yud h ASP 131 N 0.00 0.32 -3.10 6.45 3.45 -1.68 -3.47 116.42 118.40 1yud h ASP 131 Ca -0.00 -0.82 -0.56 0.00 0.43 0.00 0.00 57.03 56.08 1yud h ASP 131 Cb 0.56 -0.10 0.20 0.00 -0.56 0.00 0.00 39.33 39.43 1yud h ASP 131 CO 0.03 1.10 -0.58 0.33 -1.57 0.00 0.00 179.24 178.56 1yud n PHE 132 N -4.38 -1.37 -3.12 4.55 7.35 -1.18 -3.97 117.46 115.33 1yud n PHE 132 Ca -0.11 0.30 0.04 0.00 -0.76 0.00 0.00 57.45 56.93 1yud n PHE 132 Cb 0.60 -1.84 -0.00 0.00 0.35 0.00 0.00 39.48 38.58 1yud n PHE 132 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 1yud s GLU 133 N -2.78 0.45 0.33 -4.13 2.12 -1.07 -4.99 118.70 108.62 1yud s GLU 133 Ca 0.61 0.23 -0.06 0.00 0.36 0.00 0.00 54.97 56.11 1yud s GLU 133 Cb -0.32 0.15 -0.05 0.00 0.26 0.00 0.00 34.13 34.17 1yud s GLU 133 CO 0.62 -0.77 0.62 -1.17 -0.54 0.00 0.00 175.26 174.02 1yud s LEU 134 N 2.61 3.98 0.26 2.70 2.96 -1.26 -2.24 118.68 127.69 1yud s LEU 134 Ca 0.17 0.83 0.08 0.00 -0.22 0.00 0.00 54.13 54.99 1yud s LEU 134 Cb -0.05 -3.67 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 1yud s LEU 134 CO -0.21 -0.26 -0.12 -0.36 -1.32 0.00 0.00 176.35 174.08 1yud s PHE 135 N -2.18 1.96 -0.04 5.38 0.40 -1.21 -5.03 117.98 117.26 1yud s PHE 135 Ca 0.46 -0.56 -0.30 0.00 -0.60 0.00 0.00 56.93 55.93 1yud s PHE 135 Cb -0.11 -0.99 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 1yud s PHE 135 CO 0.31 0.42 0.98 0.45 0.70 0.00 0.00 175.22 178.08 1yud s SER 136 N -3.42 7.32 0.48 1.36 0.15 -1.26 -4.93 113.70 113.40 1yud s SER 136 Ca 0.27 1.61 0.29 0.00 0.70 0.00 0.00 55.95 58.82 1yud s SER 136 Cb 0.00 -2.56 1.37 0.00 -1.71 0.00 0.00 66.02 63.12 1yud s SER 136 CO 0.11 -0.32 1.79 -0.61 1.20 0.00 0.00 173.24 175.41 1yud h GLN 137 N 6.90 0.15 0.07 5.44 -0.00 -1.92 0.21 115.11 125.96 1yud h GLN 137 Ca -0.38 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.26 1yud h GLN 137 Cb 1.19 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.64 1yud h GLN 137 CO 0.79 0.10 -0.03 0.93 0.00 0.00 0.00 178.83 180.61 1yud h GLU 138 N 0.16 -0.09 -0.65 1.69 5.08 -1.92 -2.93 114.58 115.92 1yud h GLU 138 Ca 0.57 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 59.05 1yud h GLU 138 Cb 1.94 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 31.13 1yud h GLU 138 CO -0.13 0.46 0.22 0.00 -1.00 0.00 0.00 179.01 178.56 1yud h ALA 139 N 0.07 0.84 0.00 3.43 0.00 -1.11 0.58 119.26 123.07 1yud h ALA 139 Ca -0.01 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1yud h ALA 139 Cb 0.59 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1yud h ALA 139 CO 0.02 -0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.31 1yud n LEU 140 N -5.04 0.06 -0.01 0.00 4.77 0.31 -0.97 117.00 116.12 1yud n LEU 140 Ca 0.10 0.52 0.10 0.00 -0.03 0.00 0.00 56.01 56.71 1yud n LEU 140 Cb 0.33 -0.51 -0.17 0.00 -2.33 0.00 0.00 43.42 40.74 1yud n LEU 140 CO 0.19 -0.36 -0.76 -0.11 -1.33 0.00 0.00 177.39 175.02 1yud n LEU 141 N -1.57 0.00 -0.45 2.23 7.94 0.18 -4.56 117.00 120.77 1yud n LEU 141 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1yud n LEU 141 Cb 0.12 0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.08 1yud n LEU 141 CO 0.10 0.01 0.21 0.00 -1.11 0.00 0.00 177.39 176.60 1yud n ALA 142 N -2.26 2.14 0.00 1.96 0.00 0.24 -3.33 120.51 119.26 1yud n ALA 142 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1yud n ALA 142 Cb 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1yud n ALA 142 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1yud n TYR 144 N 0.06 0.00 0.13 0.00 4.01 -1.26 -5.01 117.16 115.09 1yud n TYR 144 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 1yud n TYR 144 Cb 0.17 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.12 1yud n TYR 144 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1yud h PRO 145 N 0.00 -0.28 -0.65 -0.72 0.13 -1.80 -3.38 132.00 125.31 1yud h PRO 145 Ca 0.00 0.02 0.08 0.00 -0.87 0.00 0.00 66.00 65.23 1yud h PRO 145 Cb 0.00 0.06 -0.09 0.00 0.13 0.00 0.00 31.00 31.10 1yud h PRO 145 CO 0.00 -0.06 -0.30 0.00 -0.23 0.00 0.00 178.00 177.41 1yud n GLN 146 N -5.14 -0.20 0.22 0.86 0.00 -1.26 -1.80 117.38 110.05 1yud n GLN 146 Ca -0.09 0.99 0.10 0.00 0.00 0.00 0.00 57.00 58.00 1yud n GLN 146 Cb 0.20 -1.46 0.34 0.00 0.00 0.00 0.00 30.24 29.32 1yud n GLN 146 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1yud h HIS 147 N 0.00 0.00 0.00 2.61 3.86 -1.98 -3.42 115.15 116.22 1yud h HIS 147 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 1yud h HIS 147 Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1yud h HIS 147 CO -0.60 0.00 0.00 1.17 0.86 0.00 0.00 177.93 179.36 1yud n LYS 148 N -2.83 0.00 0.26 2.45 4.81 -0.75 -2.36 118.16 119.75 1yud n LYS 148 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1yud n LYS 148 Cb 0.91 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.96 1yud n LYS 148 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1yud n ALA 149 N 0.00 0.00 -0.10 3.14 0.00 -1.26 0.27 120.51 122.56 1yud n ALA 149 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1yud n ALA 149 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1yud n ALA 149 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1yud n VAL 150 N -2.09 1.13 0.32 0.00 3.14 -1.00 -3.30 118.33 116.54 1yud n VAL 150 Ca 0.00 -0.41 0.21 0.00 -2.96 0.00 0.00 64.34 61.18 1yud n VAL 150 Cb 0.80 -1.28 1.11 0.00 -1.06 0.00 0.00 33.84 33.41 1yud n VAL 150 CO 0.00 0.00 0.00 0.58 -6.46 0.00 0.00 176.83 170.95 1yud h VAL 151 N -0.11 0.00 0.02 1.55 2.07 -0.36 0.33 116.25 119.75 1yud h VAL 151 Ca -0.45 0.00 -0.38 0.00 0.82 0.00 0.00 66.70 66.68 1yud h VAL 151 Cb 1.65 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 1yud h VAL 151 CO -0.10 0.00 -2.39 0.00 0.02 0.00 0.00 177.57 175.09 1yud n GLN 152 N -2.96 0.67 0.00 1.57 6.02 -0.80 -3.17 117.38 118.71 1yud n GLN 152 Ca -0.03 0.15 0.11 0.00 -0.01 0.00 0.00 57.00 57.23 1yud n GLN 152 Cb 0.10 -1.55 0.67 0.00 1.02 0.00 0.00 30.24 30.48 1yud n GLN 152 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1yud n LYS 153 N -3.24 0.83 -1.32 -1.09 3.00 -0.52 -2.82 118.16 113.00 1yud n LYS 153 Ca -0.42 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 57.91 1yud n LYS 153 Cb 1.01 -1.43 0.01 0.00 0.00 0.00 0.00 35.03 34.63 1yud n LYS 153 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1yud n LEU 154 N -0.93 0.64 -3.65 3.14 4.77 0.10 -5.00 117.00 116.08 1yud n LEU 154 Ca 0.17 -1.88 -0.02 0.00 -0.03 0.00 0.00 56.01 54.25 1yud n LEU 154 Cb 0.08 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 1yud n LEU 154 CO 0.13 0.60 1.19 -0.55 -1.33 0.00 0.00 177.39 177.43 1yud s SER 155 N -1.74 -0.02 0.17 -1.43 0.15 -1.13 -3.52 113.70 106.18 1yud s SER 155 Ca 0.26 0.05 0.10 0.00 0.70 0.00 0.00 55.95 57.05 1yud s SER 155 Cb 0.29 0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 1yud s SER 155 CO -0.13 -0.01 -0.21 -0.13 1.20 0.00 0.00 173.24 173.96 1yud s ARG 156 N -0.08 1.36 0.25 5.44 0.52 -1.26 -4.32 118.95 120.85 1yud s ARG 156 Ca 0.08 -1.42 -0.27 0.00 -0.52 0.00 0.00 55.73 53.60 1yud s ARG 156 Cb -0.05 -1.57 -0.09 0.00 0.52 0.00 0.00 34.95 33.77 1yud s ARG 156 CO -0.16 0.34 0.89 -1.25 0.02 0.00 0.00 175.30 175.14 1yud s PRO 157 N -2.60 4.68 0.00 3.54 0.04 -1.26 -3.88 135.00 135.51 1yud s PRO 157 Ca 0.16 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1yud s PRO 157 Cb -0.07 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1yud s PRO 157 CO 0.08 0.45 0.00 0.39 0.04 0.00 0.00 177.00 177.96