#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 5.21 0.24 1.69 2.47 -1.26 -5.04 114.94 118.25 1yud s ASN 3 Ca 0.00 -0.26 -0.05 0.00 0.42 0.00 0.00 52.86 52.97 1yud s ASN 3 Cb 0.00 -1.26 0.40 0.00 -1.45 0.00 0.00 41.25 38.94 1yud s ASN 3 CO 0.00 0.07 1.77 0.00 -3.72 0.00 0.00 177.10 175.22 1yud h ALA 4 N 2.43 1.08 -0.75 1.71 0.00 -1.97 -2.15 119.26 119.61 1yud h ALA 4 Ca -0.47 0.06 0.12 0.00 0.00 0.00 0.00 54.91 54.62 1yud h ALA 4 Cb 1.21 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1yud h ALA 4 CO 0.61 -0.05 0.35 -0.44 0.00 0.00 0.00 179.25 179.71 1yud h ASP 5 N 0.62 0.40 -0.46 0.00 3.32 -1.99 -1.61 116.42 116.69 1yud h ASP 5 Ca 0.39 0.08 0.06 0.00 0.02 0.00 0.00 57.03 57.58 1yud h ASP 5 Cb 0.45 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 1yud h ASP 5 CO -0.30 0.20 0.17 0.44 -1.72 0.00 0.00 179.24 178.03 1yud h ASP 6 N 0.55 0.17 -0.73 6.45 5.19 -1.81 0.11 116.42 126.35 1yud h ASP 6 Ca 0.39 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 1yud h ASP 6 Cb 0.50 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.01 1yud h ASP 6 CO -0.33 0.13 0.47 -0.26 -3.12 0.00 0.00 179.24 176.13 1yud h PHE 7 N 0.34 0.94 -0.27 4.55 -1.00 -1.27 0.44 116.94 120.67 1yud h PHE 7 Ca 0.22 0.01 -0.11 0.00 2.81 0.00 0.00 57.97 60.91 1yud h PHE 7 Cb 0.22 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.45 1yud h PHE 7 CO -0.16 0.61 -0.28 0.97 -1.61 0.00 0.00 178.31 177.85 1yud h ILE 8 N 1.00 1.27 0.41 -0.55 6.09 -0.84 -0.54 117.51 124.35 1yud h ILE 8 Ca 0.27 -1.34 -0.02 0.00 -1.37 0.00 0.00 64.86 62.39 1yud h ILE 8 Cb -0.08 1.37 0.00 0.00 0.47 0.00 0.00 36.82 38.58 1yud h ILE 8 CO -0.05 0.43 -0.20 0.50 -3.07 0.00 0.00 178.15 175.76 1yud h LYS 9 N 0.48 -0.53 -0.17 2.19 3.64 -0.40 0.26 116.57 122.03 1yud h LYS 9 Ca 0.06 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1yud h LYS 9 Cb 0.73 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1yud h LYS 9 CO 0.06 -0.27 0.11 0.74 -2.27 0.00 0.00 179.45 177.81 1yud h PHE 10 N -1.07 0.23 -0.00 1.91 0.04 -0.18 -2.35 116.94 115.52 1yud h PHE 10 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1yud h PHE 10 Cb 0.50 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.58 1yud h PHE 10 CO 0.02 0.18 -0.05 1.28 -0.60 0.00 0.00 178.31 179.14 1yud n LEU 11 N -4.95 0.13 -3.37 1.54 4.77 -0.21 -4.93 117.00 109.97 1yud n LEU 11 Ca -0.04 0.23 -0.17 0.00 -0.03 0.00 0.00 56.01 56.00 1yud n LEU 11 Cb 0.05 -0.29 0.07 0.00 -2.33 0.00 0.00 43.42 40.92 1yud n LEU 11 CO 0.34 0.03 0.04 -0.62 -1.33 0.00 0.00 177.39 175.85 1yud n GLU 12 N -1.24 -3.77 -2.61 3.23 1.02 -0.16 -4.94 120.64 112.16 1yud n GLU 12 Ca 0.13 0.82 -0.37 0.00 -0.02 0.00 0.00 57.16 57.72 1yud n GLU 12 Cb 0.26 -5.68 -0.05 0.00 -0.02 0.00 0.00 31.44 25.96 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 -5.87 4.21 -0.04 -4.62 1.43 0.75 -4.83 118.68 109.70 1yud s LEU 13 Ca 0.28 1.98 0.03 0.00 -1.03 0.00 0.00 54.13 55.40 1yud s LEU 13 Cb -0.04 -4.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.03 1yud s LEU 13 CO 0.75 -0.35 -0.13 -1.61 0.23 0.00 0.00 176.35 175.23 1yud s GLU 14 N -2.35 2.50 0.26 1.70 0.41 0.34 -4.83 118.70 116.74 1yud s GLU 14 Ca 0.55 -0.70 -0.30 0.00 -0.41 0.00 0.00 54.97 54.11 1yud s GLU 14 Cb -0.21 -2.39 -0.13 0.00 -1.78 0.00 0.00 34.13 29.61 1yud s GLU 14 CO 0.27 0.62 1.31 1.04 -0.49 0.00 0.00 175.26 178.01 1yud n GLN 15 N 2.22 1.88 -4.13 1.61 6.02 -1.26 0.36 117.38 124.08 1yud n GLN 15 Ca -0.17 0.67 -0.34 0.00 -0.01 0.00 0.00 57.00 57.15 1yud n GLN 15 Cb 0.52 -2.26 -0.07 0.00 1.02 0.00 0.00 30.24 29.45 1yud n GLN 15 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1yud s HIS 16 N -0.42 3.30 0.23 1.08 5.65 0.15 -4.75 115.29 120.52 1yud s HIS 16 Ca 0.65 0.25 -0.07 0.00 0.25 0.00 0.00 55.06 56.13 1yud s HIS 16 Cb -0.66 -1.78 0.29 0.00 -1.18 0.00 0.00 32.58 29.26 1yud s HIS 16 CO 0.54 0.56 1.84 -0.24 -0.65 0.00 0.00 174.74 176.79 1yud h VAL 17 N 3.51 1.03 0.00 0.89 3.04 -1.93 -0.68 116.25 122.11 1yud h VAL 17 Ca -0.50 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 1yud h VAL 17 Cb 1.19 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1yud h VAL 17 CO 0.60 0.16 0.00 -1.84 -1.01 0.00 0.00 177.57 175.48 1yud n GLU 18 N -4.67 0.42 0.00 4.17 0.28 -1.26 -4.95 120.64 114.63 1yud n GLU 18 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 1yud n GLU 18 Cb 0.17 -1.45 0.00 0.00 1.43 0.00 0.00 31.44 31.58 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 -0.15 2.60 1.33 -1.84 0.00 -0.26 -1.40 105.19 105.47 1yud n GLY 19 Ca 0.09 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 0.93 -1.97 3.63 -0.02 0.00 -1.25 -4.34 105.19 102.16 1yud n GLY 20 Ca 0.00 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.80 2.90 0.06 1.61 0.08 -0.40 -0.68 117.98 119.75 1yud s PHE 21 Ca 0.00 -0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.01 1yud s PHE 21 Cb 0.00 -1.55 -0.00 0.00 -0.57 0.00 0.00 43.02 40.90 1yud s PHE 21 CO 0.00 0.43 0.06 2.48 -0.10 0.00 0.00 175.22 178.08 1yud n TYR 22 N 1.01 -0.24 0.00 0.36 0.18 0.16 -0.52 117.16 118.11 1yud n TYR 22 Ca -0.13 -0.46 0.00 0.00 1.88 0.00 0.00 57.90 59.19 1yud n TYR 22 Cb 0.52 0.06 0.00 0.00 -0.38 0.00 0.00 39.34 39.54 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 -0.11 0.00 -1.61 -3.48 0.63 -1.22 0.13 116.66 111.00 1yud n ARG 23 Ca 0.01 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.54 1yud n ARG 23 Cb 0.10 0.00 0.02 0.00 0.45 0.00 0.00 32.46 33.03 1yud n ARG 23 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1yud n SER 24 N 0.00 1.21 -0.08 6.15 7.64 -1.26 -2.68 113.62 124.60 1yud n SER 24 Ca 0.00 0.99 -0.16 0.00 1.01 0.00 0.00 58.87 60.71 1yud n SER 24 Cb 0.00 -1.37 -0.06 0.00 -1.01 0.00 0.00 64.21 61.77 1yud n SER 24 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1yud n SER 25 N 0.25 1.64 -3.66 6.43 3.41 -0.46 -4.87 113.62 116.35 1yud n SER 25 Ca 0.10 0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.70 1yud n SER 25 Cb 0.41 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 1yud n SER 25 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1yud s TYR 26 N -2.31 0.88 -0.30 7.33 1.51 -1.24 -5.05 117.35 118.17 1yud s TYR 26 Ca -0.23 -1.14 -0.13 0.00 -1.01 0.00 0.00 57.07 54.56 1yud s TYR 26 Cb 0.08 -0.11 0.16 0.00 -0.11 0.00 0.00 41.96 41.98 1yud s TYR 26 CO 0.31 -0.99 0.89 0.50 -1.11 0.00 0.00 175.55 175.15 1yud s ARG 27 N -3.58 0.37 0.13 -0.62 3.52 -1.26 -2.40 118.95 115.12 1yud s ARG 27 Ca 0.30 0.93 -0.23 0.00 -0.13 0.00 0.00 55.73 56.59 1yud s ARG 27 Cb 0.01 0.56 -0.13 0.00 -1.56 0.00 0.00 34.95 33.82 1yud s ARG 27 CO 0.15 -0.14 0.46 0.45 -0.81 0.00 0.00 175.30 175.42 1yud n SER 28 N 5.12 -0.83 -1.21 -2.12 2.88 -0.13 -4.84 113.62 112.49 1yud n SER 28 Ca -0.10 0.88 0.11 0.00 -1.33 0.00 0.00 58.87 58.43 1yud n SER 28 Cb 0.52 -0.73 0.29 0.00 -0.75 0.00 0.00 64.21 63.53 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 0.83 2.53 -4.12 -1.46 1.02 -1.26 -4.63 120.64 113.55 1yud n GLU 29 Ca 0.14 -2.37 -0.26 0.00 -0.02 0.00 0.00 57.16 54.65 1yud n GLU 29 Cb 0.18 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.02 1yud n GLU 29 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1yud s THR 30 N -1.16 4.30 -0.06 2.62 2.01 -1.26 -5.07 115.64 117.03 1yud s THR 30 Ca 0.44 -1.19 -0.02 0.00 0.31 0.00 0.00 61.69 61.23 1yud s THR 30 Cb 0.23 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 1yud s THR 30 CO 0.31 -0.13 0.04 0.00 -0.69 0.00 0.00 174.62 174.15 1yud s ALA 31 N -1.78 3.44 -0.22 7.40 0.00 -1.26 -2.40 121.76 126.94 1yud s ALA 31 Ca 0.30 -0.82 -0.20 0.00 0.00 0.00 0.00 51.96 51.24 1yud s ALA 31 Cb -0.10 -1.55 -0.18 0.00 0.00 0.00 0.00 23.12 21.29 1yud s ALA 31 CO 0.22 0.63 0.13 0.34 0.00 0.00 0.00 175.76 177.08 1yud n PHE 32 N 1.76 0.87 -3.98 0.00 7.35 -1.13 -4.72 117.46 117.60 1yud n PHE 32 Ca -0.17 0.36 -0.10 0.00 -0.76 0.00 0.00 57.45 56.79 1yud n PHE 32 Cb 0.53 -1.09 -0.07 0.00 0.35 0.00 0.00 39.48 39.21 1yud n PHE 32 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1yud s ASP 33 N -6.96 0.04 0.00 -2.13 1.01 -1.19 -5.01 116.67 102.43 1yud s ASP 33 Ca -0.30 -0.91 0.00 0.00 0.71 0.00 0.00 52.55 52.04 1yud s ASP 33 Cb 0.07 0.44 0.00 0.00 1.01 0.00 0.00 42.92 44.45 1yud s ASP 33 CO 0.58 -0.91 0.32 -2.65 0.21 0.00 0.00 175.17 172.72 1yud n PRO 34 N -0.23 0.47 0.06 8.23 -0.02 -1.26 -3.24 135.00 139.00 1yud n PRO 34 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1yud n PRO 34 Cb 0.63 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.86 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 0.45 0.80 -4.81 2.55 3.41 -1.26 -5.10 113.62 109.65 1yud n SER 35 Ca 0.00 0.17 -0.22 0.00 -0.26 0.00 0.00 58.87 58.56 1yud n SER 35 Cb 0.16 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.87 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 -2.00 2.79 0.51 4.33 3.00 -1.20 -5.07 118.95 121.32 1yud s ARG 36 Ca 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 55.73 54.57 1yud s ARG 36 Cb 0.00 -2.49 0.02 0.00 0.00 0.00 0.00 34.95 32.48 1yud s ARG 36 CO 0.00 0.31 0.74 -0.65 0.00 0.00 0.00 175.30 175.70 1yud s GLN 37 N -3.87 2.74 0.53 3.54 -1.52 -1.26 -2.84 119.66 116.99 1yud s GLN 37 Ca 0.35 -0.66 0.18 0.00 -1.95 0.00 0.00 55.36 53.29 1yud s GLN 37 Cb -0.07 -2.51 1.35 0.00 -0.22 0.00 0.00 33.01 31.56 1yud s GLN 37 CO 0.25 -0.55 2.16 1.25 -0.25 0.00 0.00 175.29 178.14 1yud h LEU 38 N 0.19 0.00 -7.05 2.90 5.85 -1.69 0.51 115.31 116.02 1yud h LEU 38 Ca -0.44 0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.47 1yud h LEU 38 Cb 1.28 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.15 1yud h LEU 38 CO 0.54 0.00 0.64 -1.66 -0.34 0.00 0.00 178.44 177.62 1yud s TRP 39 N -5.01 -0.23 0.11 1.25 1.48 -0.77 -4.00 118.94 111.77 1yud s TRP 39 Ca -0.05 0.12 -0.04 0.00 -1.06 0.00 0.00 56.10 55.07 1yud s TRP 39 Cb 0.17 0.53 -0.03 0.00 -1.16 0.00 0.00 33.47 32.99 1yud s TRP 39 CO 0.66 -0.41 0.10 -1.54 -4.06 0.00 0.00 176.95 171.70 1yud s SER 40 N -2.40 0.27 0.01 -2.66 1.04 -0.95 -0.95 113.70 108.05 1yud s SER 40 Ca 0.08 -1.00 -0.21 0.00 0.48 0.00 0.00 55.95 55.30 1yud s SER 40 Cb -0.01 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.46 1yud s SER 40 CO -0.06 -0.73 0.47 -0.55 0.98 0.00 0.00 173.24 173.35 1yud s SER 41 N -2.97 -0.38 0.14 7.02 0.15 -1.01 -2.75 113.70 113.91 1yud s SER 41 Ca 0.15 0.23 -0.06 0.00 0.70 0.00 0.00 55.95 56.97 1yud s SER 41 Cb 0.06 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 64.79 1yud s SER 41 CO -0.04 -0.61 0.19 0.27 1.20 0.00 0.00 173.24 174.26 1yud s ILE 42 N -1.86 0.09 0.17 6.45 -4.36 -0.62 -1.36 121.20 119.71 1yud s ILE 42 Ca -0.09 -1.57 -0.01 0.00 -0.26 0.00 0.00 60.65 58.72 1yud s ILE 42 Cb -0.02 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.77 1yud s ILE 42 CO 0.02 -0.40 0.37 -0.31 0.24 0.00 0.00 174.94 174.86 1yud s TYR 43 N -3.99 3.48 -0.14 1.37 2.02 -1.09 -2.18 117.35 116.83 1yud s TYR 43 Ca 0.19 0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 57.17 1yud s TYR 43 Cb 0.05 -1.87 0.05 0.00 -0.40 0.00 0.00 41.96 39.79 1yud s TYR 43 CO -0.00 0.42 0.33 0.12 -1.57 0.00 0.00 175.55 174.85 1yud s PHE 44 N -1.79 -0.46 -0.01 2.71 2.19 0.13 -3.40 117.98 117.35 1yud s PHE 44 Ca 0.38 1.04 0.03 0.00 0.33 0.00 0.00 56.93 58.71 1yud s PHE 44 Cb -0.11 0.16 -0.00 0.00 -1.31 0.00 0.00 43.02 41.75 1yud s PHE 44 CO 0.28 -0.28 -0.08 -1.17 1.83 0.00 0.00 175.22 175.80 1yud s LEU 45 N 1.21 1.93 0.00 6.12 0.20 0.33 -0.31 118.68 128.16 1yud s LEU 45 Ca -0.08 -0.16 0.07 0.00 0.69 0.00 0.00 54.13 54.64 1yud s LEU 45 Cb -0.09 -0.47 0.07 0.00 -0.43 0.00 0.00 46.19 45.27 1yud s LEU 45 CO -0.10 0.09 0.54 0.18 -0.29 0.00 0.00 176.35 176.77 1yud n LEU 46 N 3.02 0.00 -3.61 -0.68 7.99 -0.06 -1.28 117.00 122.38 1yud n LEU 46 Ca -0.15 -1.89 -0.05 0.00 -0.01 0.00 0.00 56.01 53.91 1yud n LEU 46 Cb 0.56 -0.26 -0.04 0.00 -0.11 0.00 0.00 43.42 43.56 1yud n LEU 46 CO 0.25 -0.63 1.01 -0.60 -1.51 0.00 0.00 177.39 175.91 1yud s ARG 47 N -3.89 0.27 0.08 3.23 3.52 -1.26 -3.08 118.95 117.82 1yud s ARG 47 Ca 0.41 0.04 -0.37 0.00 -0.13 0.00 0.00 55.73 55.68 1yud s ARG 47 Cb -0.03 0.13 -0.17 0.00 -1.56 0.00 0.00 34.95 33.32 1yud s ARG 47 CO 0.26 -0.09 1.31 2.41 -0.81 0.00 0.00 175.30 178.38 1yud n THR 48 N 0.52 0.01 -0.86 4.11 -1.04 -0.99 -0.37 114.28 115.66 1yud n THR 48 Ca -0.04 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1yud n THR 48 Cb 0.58 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 1yud n THR 48 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yud n GLY 49 N 2.40 0.47 2.93 3.41 0.00 -1.26 -5.03 105.19 108.12 1yud n GLY 49 Ca 0.18 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.61 0.07 0.14 1.61 0.41 0.50 -5.07 118.70 114.75 1yud s GLU 50 Ca 0.00 0.10 -0.10 0.00 -0.41 0.00 0.00 54.97 54.56 1yud s GLU 50 Cb 0.00 0.02 -0.00 0.00 -1.78 0.00 0.00 34.13 32.37 1yud s GLU 50 CO 0.00 -0.02 0.28 0.14 -0.49 0.00 0.00 175.26 175.18 1yud s VAL 51 N 0.09 0.09 -0.68 2.63 -7.23 -1.26 -4.21 120.40 109.83 1yud s VAL 51 Ca -0.00 -1.22 -0.16 0.00 -1.81 0.00 0.00 61.98 58.79 1yud s VAL 51 Cb -0.01 -1.62 0.15 0.00 0.56 0.00 0.00 36.38 35.46 1yud s VAL 51 CO -0.00 -0.39 0.69 -0.55 -0.31 0.00 0.00 175.10 174.54 1yud s SER 52 N -2.92 6.40 0.64 4.85 0.15 -0.13 -3.88 113.70 118.82 1yud s SER 52 Ca 0.12 -2.00 -0.17 0.00 0.70 0.00 0.00 55.95 54.60 1yud s SER 52 Cb 0.03 -2.25 -0.05 0.00 -1.71 0.00 0.00 66.02 62.04 1yud s SER 52 CO -0.04 -0.86 0.70 1.41 1.20 0.00 0.00 173.24 175.65 1yud n HIS 53 N 5.25 -0.15 -1.68 3.44 8.25 -0.49 -1.33 115.22 128.51 1yud n HIS 53 Ca -0.01 0.41 -0.45 0.00 -0.26 0.00 0.00 57.72 57.41 1yud n HIS 53 Cb 0.44 -2.01 -0.03 0.00 1.12 0.00 0.00 29.99 29.51 1yud n HIS 53 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1yud n PHE 54 N -2.03 2.23 -3.72 4.41 3.01 -0.11 -4.54 117.46 116.71 1yud n PHE 54 Ca 0.12 0.40 -0.08 0.00 1.01 0.00 0.00 57.45 58.90 1yud n PHE 54 Cb 0.48 -2.48 0.01 0.00 -0.01 0.00 0.00 39.48 37.49 1yud n PHE 54 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1yud n HIS 55 N 2.07 -1.93 -3.77 1.38 1.44 0.22 -3.42 115.22 111.21 1yud n HIS 55 Ca 0.12 -1.62 -0.13 0.00 -2.01 0.00 0.00 57.72 54.08 1yud n HIS 55 Cb 0.32 0.69 -0.11 0.00 0.12 0.00 0.00 29.99 31.00 1yud n HIS 55 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1yud s ARG 56 N -2.21 0.32 0.44 -1.40 3.52 0.41 -1.18 118.95 118.85 1yud s ARG 56 Ca 0.15 0.40 0.07 0.00 -0.13 0.00 0.00 55.73 56.23 1yud s ARG 56 Cb -0.03 0.14 -0.01 0.00 -1.56 0.00 0.00 34.95 33.49 1yud s ARG 56 CO 0.11 -0.05 0.37 -0.51 -0.81 0.00 0.00 175.30 174.41 1yud s LEU 57 N 0.22 3.25 0.00 -0.88 1.02 -1.26 -1.58 118.68 119.45 1yud s LEU 57 Ca -0.01 -0.87 0.12 0.00 0.02 0.00 0.00 54.13 53.40 1yud s LEU 57 Cb -0.02 -1.83 0.18 0.00 0.02 0.00 0.00 46.19 44.53 1yud s LEU 57 CO -0.00 -0.72 1.03 1.07 0.02 0.00 0.00 176.35 177.74 1yud n THR 58 N -1.56 0.35 -3.96 5.49 5.66 -1.06 -3.36 114.28 115.84 1yud n THR 58 Ca 0.03 -0.68 -0.09 0.00 -3.05 0.00 0.00 64.05 60.26 1yud n THR 58 Cb 0.62 0.99 -0.11 0.00 -1.55 0.00 0.00 70.33 70.29 1yud n THR 58 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yud s ALA 59 N -1.01 0.03 0.63 1.79 0.00 -1.26 -4.91 121.76 117.02 1yud s ALA 59 Ca 0.18 -0.52 -0.18 0.00 0.00 0.00 0.00 51.96 51.44 1yud s ALA 59 Cb 0.11 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1yud s ALA 59 CO 0.16 -0.19 1.18 -0.25 0.00 0.00 0.00 175.76 176.66 1yud n ASP 60 N 1.42 1.65 -0.81 0.00 10.43 -1.26 -4.18 116.55 123.79 1yud n ASP 60 Ca -0.23 0.83 0.00 0.00 2.57 0.00 0.00 54.79 57.96 1yud n ASP 60 Cb 0.56 -1.50 0.00 0.00 1.84 0.00 0.00 41.12 42.02 1yud n ASP 60 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 1yud n GLU 61 N -1.54 0.78 -3.55 -1.24 2.13 -0.66 -3.78 120.64 112.78 1yud n GLU 61 Ca 0.15 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.81 1yud n GLU 61 Cb 0.48 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.13 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 -1.24 -0.59 -0.05 4.31 0.52 0.13 -2.41 118.94 119.60 1yud s TRP 63 Ca 0.00 1.06 -0.02 0.00 0.02 0.00 0.00 56.10 57.16 1yud s TRP 63 Cb 0.00 0.41 0.03 0.00 -1.15 0.00 0.00 33.47 32.76 1yud s TRP 63 CO 0.00 -0.51 0.03 0.71 0.02 0.00 0.00 176.95 177.20 1yud s TYR 64 N -1.02 0.32 0.22 -1.98 2.02 0.56 -3.33 117.35 114.15 1yud s TYR 64 Ca -0.07 0.07 -0.30 0.00 -0.37 0.00 0.00 57.07 56.40 1yud s TYR 64 Cb -0.01 -0.61 -0.08 0.00 -0.40 0.00 0.00 41.96 40.86 1yud s TYR 64 CO 0.07 -0.24 1.15 0.12 -1.57 0.00 0.00 175.55 175.08 1yud s PHE 65 N 2.02 3.49 -0.02 2.71 5.36 -0.70 -1.04 117.98 129.80 1yud s PHE 65 Ca 0.04 1.54 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 1yud s PHE 65 Cb -0.12 -3.36 -0.01 0.00 -0.34 0.00 0.00 43.02 39.18 1yud s PHE 65 CO -0.04 -0.91 -0.02 0.72 -1.46 0.00 0.00 175.22 173.52 1yud n HIS 66 N 2.01 0.00 -3.76 10.12 8.25 -0.95 -4.91 115.22 125.98 1yud n HIS 66 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1yud n HIS 66 Cb 0.45 -0.08 0.01 0.00 1.12 0.00 0.00 29.99 31.48 1yud n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yud n ALA 67 N -2.54 -1.15 -0.88 -1.41 0.00 -0.91 -4.98 120.51 108.63 1yud n ALA 67 Ca -0.04 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1yud n ALA 67 Cb 0.54 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1yud n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yud n GLY 68 N -0.30 0.92 3.56 0.00 0.00 -1.26 -3.10 105.19 105.01 1yud n GLY 68 Ca 0.01 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.87 1yud n GLY 68 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1yud n GLN 69 N 0.00 0.56 -2.08 1.61 -0.06 1.00 -4.93 117.38 113.48 1yud n GLN 69 Ca 0.00 0.24 -0.29 0.00 -2.00 0.00 0.00 57.00 54.95 1yud n GLN 69 Cb 0.00 -2.05 0.04 0.00 -4.06 0.00 0.00 30.24 24.17 1yud n GLN 69 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1yud s SER 70 N -1.44 5.62 0.10 1.69 1.04 -1.26 -4.69 113.70 114.77 1yud s SER 70 Ca 0.72 1.02 0.06 0.00 0.48 0.00 0.00 55.95 58.23 1yud s SER 70 Cb -0.38 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 63.77 1yud s SER 70 CO 0.51 -1.16 -0.14 -0.76 0.98 0.00 0.00 173.24 172.67 1yud s LEU 71 N -5.19 2.36 -0.25 2.42 1.43 -0.20 -2.26 118.68 116.98 1yud s LEU 71 Ca 0.56 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1yud s LEU 71 Cb -0.11 -0.55 -0.01 0.00 0.03 0.00 0.00 46.19 45.55 1yud s LEU 71 CO 0.50 -0.11 0.02 -0.89 0.23 0.00 0.00 176.35 176.09 1yud s THR 72 N -1.82 3.74 -0.33 5.49 2.01 -0.91 -0.36 115.64 123.46 1yud s THR 72 Ca 0.05 -0.51 -0.16 0.00 0.31 0.00 0.00 61.69 61.39 1yud s THR 72 Cb -0.07 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 1yud s THR 72 CO 0.03 0.29 0.40 -0.63 -0.69 0.00 0.00 174.62 174.01 1yud s ILE 73 N 1.51 5.13 0.71 1.82 1.01 0.02 -2.85 121.20 128.56 1yud s ILE 73 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.88 1yud s ILE 73 Cb -0.15 -3.84 0.13 0.00 0.01 0.00 0.00 42.46 38.60 1yud s ILE 73 CO -0.00 -0.09 0.98 -0.31 0.00 0.00 0.00 174.94 175.52 1yud s TYR 74 N 2.12 1.51 -0.26 3.97 1.51 -0.89 -1.65 117.35 123.65 1yud s TYR 74 Ca 0.14 -0.34 -0.17 0.00 -1.01 0.00 0.00 57.07 55.69 1yud s TYR 74 Cb -0.16 -2.92 0.07 0.00 -0.11 0.00 0.00 41.96 38.85 1yud s TYR 74 CO 0.12 -1.69 0.66 0.42 -1.11 0.00 0.00 175.55 173.95 1yud s ILE 76 N -3.11 -0.00 0.70 2.71 1.01 -0.70 -2.05 121.20 119.76 1yud s ILE 76 Ca 0.66 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 61.21 1yud s ILE 76 Cb -0.05 -0.95 0.02 0.00 0.01 0.00 0.00 42.46 41.48 1yud s ILE 76 CO 0.44 0.00 1.08 -0.94 0.00 0.00 0.00 174.94 175.53 1yud s SER 77 N 1.33 5.42 0.52 3.58 1.04 -0.72 -2.55 113.70 122.32 1yud s SER 77 Ca -0.08 1.08 0.22 0.00 0.48 0.00 0.00 55.95 57.65 1yud s SER 77 Cb -0.05 -1.88 1.34 0.00 0.10 0.00 0.00 66.02 65.53 1yud s SER 77 CO -0.15 -1.34 2.04 1.55 0.98 0.00 0.00 173.24 176.32 1yud h PRO 78 N -0.63 0.02 -0.00 4.02 0.13 -1.93 0.80 132.00 134.42 1yud h PRO 78 Ca -0.45 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1yud h PRO 78 Cb 1.26 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1yud h PRO 78 CO 0.64 0.02 -0.01 0.39 -0.23 0.00 0.00 178.00 178.81 1yud n GLU 79 N -4.43 0.67 0.00 0.86 4.71 -1.26 -4.90 120.64 116.29 1yud n GLU 79 Ca 0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 57.16 57.19 1yud n GLU 79 Cb 0.45 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.38 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 1.18 0.68 3.57 0.62 0.00 0.28 -5.05 105.19 106.46 1yud n GLY 80 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.95 3.12 -0.39 1.61 2.12 -1.26 -4.67 118.70 118.28 1yud s GLU 81 Ca 0.00 0.53 -0.28 0.00 0.36 0.00 0.00 54.97 55.58 1yud s GLU 81 Cb 0.00 -4.20 0.02 0.00 0.26 0.00 0.00 34.13 30.21 1yud s GLU 81 CO 0.00 -2.16 1.05 -1.17 -0.54 0.00 0.00 175.26 172.44 1yud s LEU 82 N 6.89 3.86 0.44 2.70 2.96 -1.26 -1.76 118.68 132.51 1yud s LEU 82 Ca 0.57 0.70 0.05 0.00 -0.22 0.00 0.00 54.13 55.24 1yud s LEU 82 Cb -0.12 -3.45 -0.06 0.00 0.50 0.00 0.00 46.19 43.06 1yud s LEU 82 CO 0.24 -0.99 0.01 0.42 -1.32 0.00 0.00 176.35 174.71 1yud s THR 83 N 3.85 1.78 0.16 3.68 -4.23 -1.26 -4.99 115.64 114.63 1yud s THR 83 Ca 0.44 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.88 1yud s THR 83 Cb -0.10 -2.77 -0.01 0.00 1.34 0.00 0.00 72.50 70.96 1yud s THR 83 CO 0.22 0.00 0.25 0.42 -0.54 0.00 0.00 174.62 174.97 1yud s THR 84 N -2.75 0.07 -0.16 3.99 -4.23 -1.26 -4.51 115.64 106.79 1yud s THR 84 Ca 0.27 -1.49 -0.12 0.00 -1.18 0.00 0.00 61.69 59.17 1yud s THR 84 Cb 0.08 -1.90 0.05 0.00 1.34 0.00 0.00 72.50 72.06 1yud s THR 84 CO 0.14 -0.31 0.41 0.00 -0.54 0.00 0.00 174.62 174.33 1yud s ALA 85 N -3.99 -1.04 -0.16 3.99 0.00 -0.66 -4.96 121.76 114.95 1yud s ALA 85 Ca 0.19 1.33 -0.17 0.00 0.00 0.00 0.00 51.96 53.30 1yud s ALA 85 Cb 0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1yud s ALA 85 CO 0.01 -0.23 0.45 -0.65 0.00 0.00 0.00 175.76 175.34 1yud s GLN 86 N 0.74 4.26 -0.18 0.00 -1.52 -1.26 -0.80 119.66 120.90 1yud s GLN 86 Ca -0.04 0.35 -0.01 0.00 -1.95 0.00 0.00 55.36 53.71 1yud s GLN 86 Cb -0.05 -3.49 -0.00 0.00 -0.22 0.00 0.00 33.01 29.25 1yud s GLN 86 CO -0.05 0.04 -0.12 -1.17 -0.25 0.00 0.00 175.29 173.74 1yud s LEU 87 N 1.02 2.57 0.00 2.90 2.96 0.51 -2.64 118.68 126.01 1yud s LEU 87 Ca 0.23 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1yud s LEU 87 Cb -0.15 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.93 1yud s LEU 87 CO 0.09 0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.77 1yud n GLY 88 N 4.34 -0.82 0.09 7.98 0.00 0.21 -1.03 105.19 115.95 1yud n GLY 88 Ca -0.19 -0.84 -0.07 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 -4.56 0.99 4.77 -1.26 -1.83 117.00 115.12 1yud n LEU 89 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1yud n LEU 89 Cb 0.00 0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 1yud n LEU 89 CO 0.00 0.42 1.09 -0.67 -1.33 0.00 0.00 177.39 176.90 1yud n ASP 90 N -2.66 1.26 0.10 -1.43 4.64 -1.26 -4.73 116.55 112.47 1yud n ASP 90 Ca -0.28 -2.30 0.07 0.00 -1.38 0.00 0.00 54.79 50.90 1yud n ASP 90 Cb 1.06 -1.68 0.54 0.00 -1.04 0.00 0.00 41.12 39.99 1yud n ASP 90 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 1yud h LEU 91 N 22.15 0.24 0.20 -2.67 3.38 -1.89 -2.80 115.31 133.93 1yud h LEU 91 Ca 0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1yud h LEU 91 Cb 1.00 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1yud h LEU 91 CO 1.00 0.17 -0.39 0.00 0.09 0.00 0.00 178.44 179.31 1yud h ALA 92 N 1.85 -0.73 -2.30 1.53 0.00 -1.89 -3.42 119.26 114.30 1yud h ALA 92 Ca 0.10 -0.09 -0.45 0.00 0.00 0.00 0.00 54.91 54.48 1yud h ALA 92 Cb 0.07 0.62 0.15 0.00 0.00 0.00 0.00 17.79 18.63 1yud h ALA 92 CO -0.02 -0.97 0.28 0.00 0.00 0.00 0.00 179.25 178.54 1yud s ALA 93 N -5.95 1.55 0.58 0.00 0.00 -1.06 -4.88 121.76 112.00 1yud s ALA 93 Ca -0.16 -0.72 0.33 0.00 0.00 0.00 0.00 51.96 51.40 1yud s ALA 93 Cb 0.07 -2.96 1.39 0.00 0.00 0.00 0.00 23.12 21.62 1yud s ALA 93 CO 0.63 -2.63 1.70 0.78 0.00 0.00 0.00 175.76 176.24 1yud h GLY 94 N -1.78 0.00 -3.32 0.00 0.00 -1.80 -3.46 103.07 92.71 1yud h GLY 94 Ca -0.49 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.33 1yud h GLY 94 CO 0.52 0.00 -1.10 1.18 0.00 0.00 0.00 176.54 177.14 1yud n GLU 95 N -3.76 0.00 -3.62 4.80 1.02 -1.24 -4.83 120.64 113.02 1yud n GLU 95 Ca 0.20 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.20 1yud n GLU 95 Cb 1.17 -0.87 -0.06 0.00 -0.02 0.00 0.00 31.44 31.66 1yud n GLU 95 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1yud s ARG 96 N -1.01 0.95 -0.04 3.49 6.06 -1.08 -4.40 118.95 122.93 1yud s ARG 96 Ca 0.47 -0.17 0.13 0.00 -2.50 0.00 0.00 55.73 53.66 1yud s ARG 96 Cb -0.39 0.44 0.46 0.00 0.06 0.00 0.00 34.95 35.51 1yud s ARG 96 CO 0.60 -0.32 1.35 -2.30 -2.50 0.00 0.00 175.30 172.12 1yud n PRO 97 N 0.65 2.49 -3.45 5.12 -0.02 -0.76 0.63 135.00 139.66 1yud n PRO 97 Ca -0.19 -1.83 -0.09 0.00 -2.02 0.00 0.00 63.50 59.38 1yud n PRO 97 Cb 0.59 -1.54 -0.08 0.00 -0.02 0.00 0.00 33.50 32.45 1yud n PRO 97 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1yud s GLN 98 N -1.56 0.34 0.21 -0.52 -0.21 -1.26 -1.72 119.66 114.93 1yud s GLN 98 Ca 0.33 0.72 0.11 0.00 0.02 0.00 0.00 55.36 56.55 1yud s GLN 98 Cb 0.20 -0.16 -0.04 0.00 1.00 0.00 0.00 33.01 34.00 1yud s GLN 98 CO 0.19 -0.50 -0.19 0.12 -2.12 0.00 0.00 175.29 172.78 1yud s PHE 99 N 2.58 2.39 -0.36 0.91 5.36 -1.21 -4.96 117.98 122.68 1yud s PHE 99 Ca 0.08 -0.32 0.03 0.00 -0.96 0.00 0.00 56.93 55.76 1yud s PHE 99 Cb -0.14 -1.15 0.10 0.00 -0.34 0.00 0.00 43.02 41.49 1yud s PHE 99 CO -0.15 0.54 0.09 -1.17 -1.46 0.00 0.00 175.22 173.07 1yud s LEU 100 N -2.87 4.07 -0.42 6.12 0.20 -1.26 -0.69 118.68 123.83 1yud s LEU 100 Ca 0.23 -2.15 -0.24 0.00 0.69 0.00 0.00 54.13 52.66 1yud s LEU 100 Cb -0.08 -1.43 0.02 0.00 -0.43 0.00 0.00 46.19 44.27 1yud s LEU 100 CO 0.12 -0.37 0.85 0.54 -0.29 0.00 0.00 176.35 177.20 1yud s VAL 101 N 0.92 4.60 0.54 1.68 0.11 -1.01 -4.93 120.40 122.31 1yud s VAL 101 Ca 0.12 0.74 -0.16 0.00 -2.93 0.00 0.00 61.98 59.75 1yud s VAL 101 Cb -0.20 -4.33 -0.06 0.00 -1.53 0.00 0.00 36.38 30.26 1yud s VAL 101 CO -0.11 -0.66 1.01 -2.16 -3.33 0.00 0.00 175.10 169.85 1yud s PRO 102 N 3.42 3.75 0.31 1.54 0.04 -1.26 -1.66 135.00 141.14 1yud s PRO 102 Ca 0.34 1.01 -0.29 0.00 0.04 0.00 0.00 61.00 62.10 1yud s PRO 102 Cb -0.12 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 1yud s PRO 102 CO 0.22 -0.44 1.40 -1.59 0.04 0.00 0.00 177.00 176.63 1yud s LYS 103 N -4.14 4.27 0.00 4.56 -2.85 -1.26 -3.81 119.74 116.51 1yud s LYS 103 Ca 0.60 2.33 0.00 0.00 -1.00 0.00 0.00 55.97 57.90 1yud s LYS 103 Cb -0.12 -3.06 0.00 0.00 -2.06 0.00 0.00 37.83 32.59 1yud s LYS 103 CO 0.34 -0.35 0.00 0.41 0.10 0.00 0.00 175.35 175.85 1yud n GLY 104 N 1.24 1.25 3.74 0.59 0.00 -1.21 -4.96 105.19 105.83 1yud n GLY 104 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.17 5.29 0.34 0.00 1.01 -1.06 -4.42 121.20 120.19 1yud s ILE 106 Ca 0.32 0.07 0.04 0.00 0.00 0.00 0.00 60.65 61.08 1yud s ILE 106 Cb -0.07 -3.62 -0.06 0.00 0.01 0.00 0.00 42.46 38.72 1yud s ILE 106 CO 0.22 0.14 0.06 0.72 0.00 0.00 0.00 174.94 176.09 1yud s PHE 107 N 1.78 1.98 0.06 3.97 -0.71 -0.33 -1.71 117.98 123.02 1yud s PHE 107 Ca 0.07 -0.97 -0.03 0.00 -1.04 0.00 0.00 56.93 54.97 1yud s PHE 107 Cb -0.16 -1.31 0.01 0.00 -1.21 0.00 0.00 43.02 40.35 1yud s PHE 107 CO 0.11 0.01 0.13 0.41 -1.34 0.00 0.00 175.22 174.54 1yud n GLY 108 N -0.73 1.78 3.59 1.99 0.00 -0.87 -0.61 105.19 110.34 1yud n GLY 108 Ca -0.03 -1.04 -0.06 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.34 -0.20 0.00 1.61 0.15 -0.44 -2.10 113.70 111.37 1yud s SER 109 Ca 0.03 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.78 1yud s SER 109 Cb -0.01 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1yud s SER 109 CO 0.02 -0.27 0.00 0.00 1.20 0.00 0.00 173.24 174.19 1yud n ALA 110 N 0.21 0.00 0.00 5.45 0.00 -1.13 -0.95 120.51 124.09 1yud n ALA 110 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 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 1.82 -3.87 0.00 5.03 -0.96 -2.14 115.26 115.14 1yud n ASN 112 Ca 0.00 -0.11 -0.10 0.00 0.87 0.00 0.00 54.58 55.25 1yud n ASN 112 Cb 0.00 0.58 -0.06 0.00 -1.02 0.00 0.00 39.78 39.28 1yud n ASN 112 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.26 173.85 1yud s GLN 113 N -0.94 1.23 1.19 3.52 2.00 -1.26 -5.08 119.66 120.32 1yud s GLN 113 Ca 0.00 -1.04 -0.13 0.00 -2.00 0.00 0.00 55.36 52.19 1yud s GLN 113 Cb 0.00 0.43 0.30 0.00 0.80 0.00 0.00 33.01 34.54 1yud s GLN 113 CO 0.00 -0.48 1.02 -0.51 -0.50 0.00 0.00 175.29 174.82 1yud s ASP 114 N -2.93 0.69 0.00 6.67 1.01 -1.26 -4.70 116.67 116.15 1yud s ASP 114 Ca 0.13 1.53 0.00 0.00 0.71 0.00 0.00 52.55 54.92 1yud s ASP 114 Cb 0.02 -2.34 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1yud s ASP 114 CO -0.02 -4.38 0.00 0.61 0.21 0.00 0.00 175.17 171.59 1yud n GLY 115 N 1.01 1.03 3.78 0.21 0.00 -1.26 -4.83 105.19 105.14 1yud n GLY 115 Ca 0.02 -1.05 -0.04 0.00 0.00 0.00 0.00 46.02 44.96 1yud n GLY 115 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yud s PHE 116 N 0.00 -0.14 -0.12 1.61 -0.71 -1.26 -2.34 117.98 115.03 1yud s PHE 116 Ca 0.00 -0.21 -0.06 0.00 -1.04 0.00 0.00 56.93 55.62 1yud s PHE 116 Cb 0.00 0.66 0.05 0.00 -1.21 0.00 0.00 43.02 42.52 1yud s PHE 116 CO 0.00 -0.92 0.28 -1.12 -1.34 0.00 0.00 175.22 172.12 1yud s SER 117 N -2.95 -0.28 -0.09 1.98 0.01 -1.18 -0.00 113.70 111.20 1yud s SER 117 Ca 0.12 0.61 0.02 0.00 1.31 0.00 0.00 55.95 58.01 1yud s SER 117 Cb -0.02 0.51 -0.02 0.00 0.21 0.00 0.00 66.02 66.69 1yud s SER 117 CO 0.03 -0.18 -0.13 -0.22 0.41 0.00 0.00 173.24 173.16 1yud s LEU 118 N 1.38 2.76 0.21 2.44 2.96 -1.18 -0.88 118.68 126.36 1yud s LEU 118 Ca -0.09 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 1yud s LEU 118 Cb -0.10 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1yud s LEU 118 CO -0.09 0.26 0.29 -0.69 -1.32 0.00 0.00 176.35 174.80 1yud s VAL 119 N -0.23 0.02 -0.01 1.68 1.01 0.58 -2.15 120.40 121.29 1yud s VAL 119 Ca 0.01 -1.66 0.02 0.00 0.00 0.00 0.00 61.98 60.34 1yud s VAL 119 Cb -0.13 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1yud s VAL 119 CO 0.03 -0.07 -0.05 -0.83 0.00 0.00 0.00 175.10 174.18 1yud s GLY 120 N -3.07 0.29 0.17 4.51 0.00 -0.21 0.20 107.32 109.22 1yud s GLY 120 Ca 0.28 -0.20 0.01 0.00 0.00 0.00 0.00 44.72 44.81 1yud s GLY 120 CO 0.08 -0.11 0.05 0.00 0.00 0.00 0.00 173.10 173.13 1yud s VAL 123 N -2.11 -0.05 0.00 0.00 -7.23 -1.11 -1.59 120.40 108.32 1yud s VAL 123 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 1yud s VAL 123 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 1yud s VAL 123 CO 0.05 0.00 0.60 -0.24 -0.31 0.00 0.00 175.10 175.20 1yud n SER 124 N 3.65 0.00 -4.63 4.85 2.88 -1.25 -2.24 113.62 116.88 1yud n SER 124 Ca -0.17 0.60 -0.42 0.00 -1.33 0.00 0.00 58.87 57.55 1yud n SER 124 Cb 0.57 -0.10 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 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 -1.41 3.72 0.03 -1.46 0.02 -1.26 -1.86 135.00 132.80 1yud s PRO 125 Ca 0.00 2.28 -0.17 0.00 0.02 0.00 0.00 61.00 63.13 1yud s PRO 125 Cb 0.00 -4.22 -0.09 0.00 0.02 0.00 0.00 34.50 30.20 1yud s PRO 125 CO 0.00 -1.43 0.42 0.41 -0.33 0.00 0.00 177.00 176.07 1yud n GLY 126 N 5.01 -0.38 3.74 0.52 0.00 0.18 -4.81 105.19 109.44 1yud n GLY 126 Ca 0.23 0.29 -0.41 0.00 0.00 0.00 0.00 46.02 46.13 1yud n GLY 126 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1yud s PHE 127 N -0.17 3.33 0.02 1.61 5.36 -1.26 -4.53 117.98 122.34 1yud s PHE 127 Ca 0.39 1.30 0.00 0.00 -0.96 0.00 0.00 56.93 57.66 1yud s PHE 127 Cb -0.55 -3.52 -0.02 0.00 -0.34 0.00 0.00 43.02 38.59 1yud s PHE 127 CO 0.27 -1.59 -0.03 0.95 -1.46 0.00 0.00 175.22 173.37 1yud s THR 128 N 0.13 0.11 -1.91 0.12 -4.23 -1.26 -5.03 115.64 103.57 1yud s THR 128 Ca 0.55 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 1yud s THR 128 Cb -0.34 -0.22 0.00 0.00 1.34 0.00 0.00 72.50 73.28 1yud s THR 128 CO 0.37 -0.36 0.23 0.49 -0.54 0.00 0.00 174.62 174.80 1yud n PHE 129 N 1.98 0.00 1.17 3.99 3.72 -1.26 -1.10 117.46 125.95 1yud n PHE 129 Ca -0.21 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.32 1yud n PHE 129 Cb 0.56 -0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.33 1yud n PHE 129 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1yud n ASP 130 N -0.42 1.80 -0.11 4.37 9.92 -1.26 -3.61 116.55 127.24 1yud n ASP 130 Ca 0.00 -1.41 0.10 0.00 -0.53 0.00 0.00 54.79 52.95 1yud n ASP 130 Cb 0.01 0.20 0.15 0.00 -0.64 0.00 0.00 41.12 40.83 1yud n ASP 130 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1yud n ASP 131 N 0.07 2.40 -4.30 -2.24 8.00 -0.26 -4.98 116.55 115.24 1yud n ASP 131 Ca 0.13 -3.11 -0.26 0.00 0.71 0.00 0.00 54.79 52.26 1yud n ASP 131 Cb 0.44 -0.44 -0.13 0.00 -0.02 0.00 0.00 41.12 40.97 1yud n ASP 131 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1yud s PHE 132 N -2.89 1.94 -0.23 1.24 5.36 -1.24 -2.56 117.98 119.60 1yud s PHE 132 Ca 0.33 -0.40 -0.08 0.00 -0.96 0.00 0.00 56.93 55.82 1yud s PHE 132 Cb 0.28 -1.09 0.10 0.00 -0.34 0.00 0.00 43.02 41.98 1yud s PHE 132 CO 0.03 0.20 0.50 -2.00 -1.46 0.00 0.00 175.22 172.48 1yud s GLU 133 N -1.70 0.41 0.43 10.12 2.12 -0.62 -4.95 118.70 124.52 1yud s GLU 133 Ca 0.09 1.17 0.05 0.00 0.36 0.00 0.00 54.97 56.64 1yud s GLU 133 Cb -0.10 0.51 0.01 0.00 0.26 0.00 0.00 34.13 34.81 1yud s GLU 133 CO 0.04 -0.23 0.60 -1.17 -0.54 0.00 0.00 175.26 173.96 1yud s LEU 134 N 2.69 3.66 -0.01 2.70 2.96 -1.26 -0.45 118.68 128.97 1yud s LEU 134 Ca -0.03 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1yud s LEU 134 Cb -0.12 -2.79 0.00 0.00 0.50 0.00 0.00 46.19 43.78 1yud s LEU 134 CO -0.15 -0.75 -0.02 -0.36 -1.32 0.00 0.00 176.35 173.75 1yud s PHE 135 N -2.42 0.21 0.49 5.38 0.40 -1.22 -4.95 117.98 115.87 1yud s PHE 135 Ca 0.52 -0.03 -0.22 0.00 -0.60 0.00 0.00 56.93 56.61 1yud s PHE 135 Cb -0.10 -0.17 -0.07 0.00 0.51 0.00 0.00 43.02 43.20 1yud s PHE 135 CO 0.34 -0.02 1.15 0.45 0.70 0.00 0.00 175.22 177.84 1yud s SER 136 N 0.12 5.98 0.29 1.36 0.15 -1.26 -4.68 113.70 115.66 1yud s SER 136 Ca -0.01 2.26 -0.02 0.00 0.70 0.00 0.00 55.95 58.88 1yud s SER 136 Cb -0.03 -2.59 0.44 0.00 -1.71 0.00 0.00 66.02 62.12 1yud s SER 136 CO -0.00 -1.04 1.95 -0.61 1.20 0.00 0.00 173.24 174.73 1yud h GLN 137 N 1.71 1.10 0.06 5.44 4.15 -1.68 -1.00 115.11 124.90 1yud h GLN 137 Ca -0.50 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 58.87 1yud h GLN 137 Cb 1.25 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 28.68 1yud h GLN 137 CO 0.59 0.73 -0.10 0.93 -1.93 0.00 0.00 178.83 179.05 1yud h GLU 138 N 1.14 -0.20 0.03 1.69 3.07 -1.91 -2.02 114.58 116.38 1yud h GLU 138 Ca 0.34 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.23 1yud h GLU 138 Cb -0.05 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1yud h GLU 138 CO -0.09 -0.13 -0.13 0.00 -1.40 0.00 0.00 179.01 177.26 1yud h ALA 139 N 0.71 -0.18 0.00 3.43 0.00 -1.74 -2.53 119.26 118.96 1yud h ALA 139 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yud h ALA 139 Cb 0.23 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1yud h ALA 139 CO -0.06 -0.63 0.00 1.28 0.00 0.00 0.00 179.25 179.83 1yud n LEU 140 N -5.26 0.00 -0.07 0.00 4.77 -0.45 -1.99 117.00 114.00 1yud n LEU 140 Ca -0.06 0.40 -0.17 0.00 -0.03 0.00 0.00 56.01 56.16 1yud n LEU 140 Cb 0.18 -0.40 -0.13 0.00 -2.33 0.00 0.00 43.42 40.73 1yud n LEU 140 CO 0.28 -0.29 -1.08 0.18 -1.33 0.00 0.00 177.39 175.15 1yud n LEU 141 N -1.40 2.22 -0.36 2.23 4.32 -0.77 -4.42 117.00 118.81 1yud n LEU 141 Ca 0.03 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 56.06 1yud n LEU 141 Cb 0.08 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.23 1yud n LEU 141 CO 0.07 0.79 0.04 0.00 -1.22 0.00 0.00 177.39 177.07 1yud n ALA 142 N -3.03 1.30 -1.88 -1.18 0.00 -0.84 -3.33 120.51 111.55 1yud n ALA 142 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1yud n ALA 142 Cb 1.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 0.17 0.00 0.14 0.00 4.01 -1.26 -5.00 117.16 115.22 1yud n TYR 144 Ca 0.00 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1yud n TYR 144 Cb 0.02 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.19 1yud n TYR 144 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1yud h PRO 145 N 1.25 0.00 0.00 -0.72 0.11 -1.82 -3.17 132.00 127.66 1yud h PRO 145 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1yud h PRO 145 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1yud h PRO 145 CO 0.00 0.62 0.02 0.00 -0.21 0.00 0.00 178.00 178.43 1yud n GLN 146 N -3.55 0.00 -0.56 1.05 0.00 -1.26 -1.91 117.38 111.14 1yud n GLN 146 Ca -0.00 0.37 0.06 0.00 0.00 0.00 0.00 57.00 57.43 1yud n GLN 146 Cb 0.67 -1.52 0.19 0.00 0.00 0.00 0.00 30.24 29.58 1yud n GLN 146 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1yud n HIS 147 N -1.36 0.00 -0.26 2.61 8.25 -1.20 -4.86 115.22 118.40 1yud n HIS 147 Ca 0.00 -1.40 -0.05 0.00 -0.26 0.00 0.00 57.72 56.01 1yud n HIS 147 Cb 0.02 -0.23 0.01 0.00 1.12 0.00 0.00 29.99 30.91 1yud n HIS 147 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1yud h LYS 148 N 0.87 -0.12 -0.70 -0.41 3.64 -1.58 -0.12 116.57 118.16 1yud h LYS 148 Ca -0.01 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1yud h LYS 148 Cb 1.03 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 1yud h LYS 148 CO 0.00 -0.08 0.29 0.00 -2.27 0.00 0.00 179.45 177.39 1yud h ALA 149 N 1.04 0.95 0.00 5.00 0.00 -1.89 0.41 119.26 124.77 1yud h ALA 149 Ca 0.26 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1yud h ALA 149 Cb 0.56 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1yud h ALA 149 CO -0.78 -0.16 -0.00 -0.24 0.00 0.00 0.00 179.25 178.07 1yud h VAL 150 N 0.47 1.63 -0.56 0.00 3.04 -1.72 -3.22 116.25 115.89 1yud h VAL 150 Ca 0.36 -1.98 0.16 0.00 -1.01 0.00 0.00 66.70 64.24 1yud h VAL 150 Cb 0.48 2.96 -0.02 0.00 -2.01 0.00 0.00 31.29 32.70 1yud h VAL 150 CO -0.34 0.51 0.47 0.58 -1.01 0.00 0.00 177.57 177.77 1yud h VAL 151 N -0.86 0.53 0.00 1.51 2.07 -0.96 0.03 116.25 118.58 1yud h VAL 151 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1yud h VAL 151 Cb 0.84 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1yud h VAL 151 CO 0.00 0.00 0.00 -0.61 0.02 0.00 0.00 177.57 176.98 1yud h GLN 152 N 0.00 0.00 0.00 1.57 4.15 -0.92 -2.45 115.11 117.46 1yud h GLN 152 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1yud h GLN 152 Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1yud h GLN 152 CO -0.00 0.00 -1.39 1.63 -1.93 0.00 0.00 178.83 177.13 1yud n LYS 153 N -2.70 0.33 -0.58 1.69 4.01 -0.04 -4.28 118.16 116.60 1yud n LYS 153 Ca 0.04 -0.08 0.04 0.00 -0.51 0.00 0.00 58.31 57.80 1yud n LYS 153 Cb 0.44 -1.50 0.20 0.00 -0.51 0.00 0.00 35.03 33.66 1yud n LYS 153 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1yud n LEU 154 N -1.80 3.04 -3.72 -0.35 4.77 -1.00 -4.95 117.00 112.99 1yud n LEU 154 Ca 0.01 -3.75 -0.14 0.00 -0.03 0.00 0.00 56.01 52.10 1yud n LEU 154 Cb 0.42 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 1yud n LEU 154 CO 0.44 1.26 0.11 -0.44 -1.33 0.00 0.00 177.39 177.42 1yud s SER 155 N -2.98 -0.35 -0.00 -1.43 0.01 -0.93 -0.94 113.70 107.07 1yud s SER 155 Ca 0.39 0.49 0.08 0.00 1.31 0.00 0.00 55.95 58.22 1yud s SER 155 Cb 0.37 0.58 -0.02 0.00 0.21 0.00 0.00 66.02 67.15 1yud s SER 155 CO -0.04 -0.34 -0.25 -0.13 0.41 0.00 0.00 173.24 172.90 1yud s ARG 156 N -0.65 1.95 0.63 12.44 0.52 -1.26 -4.81 118.95 127.77 1yud s ARG 156 Ca -0.07 -0.94 -0.18 0.00 -0.52 0.00 0.00 55.73 54.02 1yud s ARG 156 Cb -0.04 -1.94 -0.02 0.00 0.52 0.00 0.00 34.95 33.48 1yud s ARG 156 CO 0.03 0.52 1.26 -1.25 0.02 0.00 0.00 175.30 175.88 1yud s PRO 157 N -0.74 2.71 0.00 3.54 0.04 -1.26 -1.81 135.00 137.48 1yud s PRO 157 Ca 0.10 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1yud s PRO 157 Cb -0.10 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1yud s PRO 157 CO -0.00 -1.45 0.00 0.39 0.04 0.00 0.00 177.00 175.98