#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 6.50 0.29 1.69 2.47 -1.26 -5.00 114.94 119.63 1yud s ASN 3 Ca 0.00 0.57 0.04 0.00 0.42 0.00 0.00 52.86 53.89 1yud s ASN 3 Cb 0.00 -2.09 0.70 0.00 -1.45 0.00 0.00 41.25 38.41 1yud s ASN 3 CO 0.00 0.15 1.74 0.00 -3.72 0.00 0.00 177.10 175.27 1yud h ALA 4 N 3.35 1.51 0.00 1.71 0.00 -1.98 0.14 119.26 123.99 1yud h ALA 4 Ca -0.48 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1yud h ALA 4 Cb 1.18 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1yud h ALA 4 CO 0.70 -0.17 -0.03 -0.44 0.00 0.00 0.00 179.25 179.31 1yud h ASP 5 N 0.60 0.00 -0.29 0.00 3.32 -2.00 -2.64 116.42 115.41 1yud h ASP 5 Ca 0.55 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.53 1yud h ASP 5 Cb 0.91 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1yud h ASP 5 CO -0.43 0.03 -0.09 0.44 -1.72 0.00 0.00 179.24 177.47 1yud h ASP 6 N 0.00 0.59 0.15 6.45 5.19 -1.11 -2.47 116.42 125.22 1yud h ASP 6 Ca -0.00 -0.38 -0.01 0.00 -0.62 0.00 0.00 57.03 56.03 1yud h ASP 6 Cb 0.47 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.82 1yud h ASP 6 CO 0.00 0.83 -0.07 -0.26 -3.12 0.00 0.00 179.24 176.62 1yud h PHE 7 N 0.34 -0.19 -0.91 4.55 -1.00 -1.39 -1.13 116.94 117.21 1yud h PHE 7 Ca 0.07 -0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.94 1yud h PHE 7 Cb 0.58 0.06 -0.07 0.00 3.61 0.00 0.00 35.95 40.14 1yud h PHE 7 CO 0.05 0.10 0.59 -0.84 -1.61 0.00 0.00 178.31 176.60 1yud h ILE 8 N -0.47 0.98 0.00 -0.55 -0.00 -1.55 -1.43 117.51 114.49 1yud h ILE 8 Ca -0.02 -0.32 0.00 0.00 -0.00 0.00 0.00 64.86 64.52 1yud h ILE 8 Cb 0.37 -0.03 0.00 0.00 -0.00 0.00 0.00 36.82 37.16 1yud h ILE 8 CO 0.03 0.17 0.00 1.17 -0.00 0.00 0.00 178.15 179.52 1yud n LYS 9 N -4.53 0.00 -0.26 0.16 4.81 -0.93 0.07 118.16 117.48 1yud n LYS 9 Ca 0.15 0.28 -0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1yud n LYS 9 Cb 0.29 -1.11 0.06 0.00 0.02 0.00 0.00 35.03 34.30 1yud n LYS 9 CO 0.00 0.00 0.00 0.74 1.17 0.00 0.00 177.40 179.31 1yud h PHE 10 N 0.00 -0.60 0.00 5.64 0.04 -1.21 0.23 116.94 121.03 1yud h PHE 10 Ca 0.00 0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1yud h PHE 10 Cb 0.00 0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.53 1yud h PHE 10 CO 0.09 -0.35 0.00 1.28 -0.60 0.00 0.00 178.31 178.73 1yud n LEU 11 N -5.48 0.29 -2.17 1.54 4.77 -0.54 -4.90 117.00 110.51 1yud n LEU 11 Ca 0.09 0.56 -0.11 0.00 -0.03 0.00 0.00 56.01 56.52 1yud n LEU 11 Cb 0.38 -0.51 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1yud n LEU 11 CO -0.02 -0.32 0.10 -0.62 -1.33 0.00 0.00 177.39 175.20 1yud n GLU 12 N -1.80 -3.80 -2.22 3.23 1.02 0.80 -4.96 120.64 112.90 1yud n GLU 12 Ca 0.04 0.43 -0.42 0.00 -0.02 0.00 0.00 57.16 57.19 1yud n GLU 12 Cb 0.23 -4.24 -0.03 0.00 -0.02 0.00 0.00 31.44 27.38 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 -4.25 4.37 0.00 -4.62 1.43 0.11 -4.84 118.68 110.88 1yud s LEU 13 Ca 0.17 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 1yud s LEU 13 Cb -0.07 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.56 1yud s LEU 13 CO 0.38 -0.63 0.00 -0.62 0.23 0.00 0.00 176.35 175.71 1yud n GLU 14 N 4.04 3.24 -4.98 1.70 -0.58 0.17 -4.84 120.64 119.39 1yud n GLU 14 Ca 0.11 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.56 1yud n GLU 14 Cb 0.43 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.15 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 2.14 1.80 -0.05 3.49 0.74 -1.26 -3.43 119.66 123.09 1yud s GLN 15 Ca 0.00 -0.99 -0.03 0.00 0.05 0.00 0.00 55.36 54.39 1yud s GLN 15 Cb 0.00 -1.88 -0.04 0.00 1.10 0.00 0.00 33.01 32.19 1yud s GLN 15 CO 0.00 0.50 0.10 -1.58 -0.55 0.00 0.00 175.29 173.76 1yud s HIS 16 N -0.72 3.40 0.44 1.67 2.46 -0.49 -4.77 115.29 117.28 1yud s HIS 16 Ca 0.10 0.32 0.22 0.00 0.47 0.00 0.00 55.06 56.17 1yud s HIS 16 Cb -0.10 -1.82 1.27 0.00 -0.13 0.00 0.00 32.58 31.80 1yud s HIS 16 CO 0.01 0.61 2.04 -0.24 -2.47 0.00 0.00 174.74 174.69 1yud h VAL 17 N 3.55 0.81 0.00 0.89 3.04 -2.01 -2.60 116.25 119.94 1yud h VAL 17 Ca -0.51 -0.56 -0.07 0.00 -1.01 0.00 0.00 66.70 64.54 1yud h VAL 17 Cb 1.20 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 31.80 1yud h VAL 17 CO 0.61 0.14 -1.24 -1.84 -1.01 0.00 0.00 177.57 174.23 1yud n GLU 18 N -3.94 0.62 0.00 4.17 0.28 -1.26 -5.01 120.64 115.49 1yud n GLU 18 Ca -0.02 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 1yud n GLU 18 Cb 0.24 -1.80 0.00 0.00 1.43 0.00 0.00 31.44 31.31 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 1.28 3.76 2.58 -1.84 0.00 -0.98 -1.95 105.19 108.04 1yud n GLY 19 Ca -0.05 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.96 -1.76 3.55 -0.02 0.00 -1.26 -4.34 105.19 99.39 1yud n GLY 20 Ca 0.00 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.57 2.78 0.35 1.61 0.08 -0.17 -1.40 117.98 119.65 1yud s PHE 21 Ca 0.00 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 56.99 1yud s PHE 21 Cb 0.00 -1.56 -0.03 0.00 -0.57 0.00 0.00 43.02 40.86 1yud s PHE 21 CO 0.00 0.33 0.21 1.52 -0.10 0.00 0.00 175.22 177.18 1yud s TYR 22 N -0.96 1.72 -0.30 0.36 -0.85 -1.22 0.24 117.35 116.33 1yud s TYR 22 Ca 0.16 -1.50 -0.17 0.00 -0.52 0.00 0.00 57.07 55.03 1yud s TYR 22 Cb -0.11 -0.87 0.18 0.00 0.38 0.00 0.00 41.96 41.55 1yud s TYR 22 CO 0.07 -0.64 1.19 0.50 -1.52 0.00 0.00 175.55 175.14 1yud s ARG 23 N -3.60 0.11 0.11 -3.49 3.00 -1.00 -0.66 118.95 113.42 1yud s ARG 23 Ca 0.34 0.24 -0.31 0.00 -1.00 0.00 0.00 55.73 55.01 1yud s ARG 23 Cb 0.03 0.14 -0.10 0.00 0.00 0.00 0.00 34.95 35.02 1yud s ARG 23 CO 0.22 -0.06 1.87 0.43 0.00 0.00 0.00 175.30 177.76 1yud n SER 24 N 4.94 4.11 -0.08 -2.12 7.64 -1.26 -1.28 113.62 125.56 1yud n SER 24 Ca -0.08 0.97 -0.10 0.00 1.01 0.00 0.00 58.87 60.67 1yud n SER 24 Cb 0.55 -1.55 -0.05 0.00 -1.01 0.00 0.00 64.21 62.15 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 6.05 1.83 -4.17 6.43 3.41 -1.11 -4.91 113.62 121.15 1yud n SER 25 Ca 0.18 0.56 -0.12 0.00 -0.26 0.00 0.00 58.87 59.24 1yud n SER 25 Cb 0.38 -0.90 -0.09 0.00 -0.26 0.00 0.00 64.21 63.34 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 -2.29 1.05 -0.26 7.33 1.51 -1.24 -5.07 117.35 118.39 1yud s TYR 26 Ca -0.20 -1.29 -0.14 0.00 -1.01 0.00 0.00 57.07 54.43 1yud s TYR 26 Cb 0.03 -0.47 0.08 0.00 -0.11 0.00 0.00 41.96 41.50 1yud s TYR 26 CO 0.34 -0.68 0.63 0.50 -1.11 0.00 0.00 175.55 175.23 1yud s ARG 27 N -4.14 0.62 0.75 -0.62 3.52 -1.26 -2.38 118.95 115.45 1yud s ARG 27 Ca 0.36 1.18 -0.16 0.00 -0.13 0.00 0.00 55.73 56.98 1yud s ARG 27 Cb 0.06 0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 33.62 1yud s ARG 27 CO 0.11 -0.16 0.35 0.45 -0.81 0.00 0.00 175.30 175.24 1yud n SER 28 N 4.50 -1.92 0.01 -2.12 2.88 -0.45 -4.90 113.62 111.61 1yud n SER 28 Ca -0.19 0.53 0.11 0.00 -1.33 0.00 0.00 58.87 57.99 1yud n SER 28 Cb 0.57 -1.15 -0.13 0.00 -0.75 0.00 0.00 64.21 62.75 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 -0.38 0.56 -2.61 -1.46 1.02 -1.26 -4.75 120.64 111.75 1yud n GLU 29 Ca 0.08 -0.13 -0.36 0.00 -0.02 0.00 0.00 57.16 56.74 1yud n GLU 29 Cb 0.51 -1.56 -0.05 0.00 -0.02 0.00 0.00 31.44 30.32 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 -3.42 3.89 0.52 2.62 2.01 -1.26 -4.99 115.64 115.01 1yud s THR 30 Ca -0.05 1.37 -0.02 0.00 0.31 0.00 0.00 61.69 63.30 1yud s THR 30 Cb 0.14 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.99 1yud s THR 30 CO 0.88 -0.06 0.78 0.00 -0.69 0.00 0.00 174.62 175.53 1yud s ALA 31 N -1.78 3.59 0.00 7.40 0.00 -1.26 -1.93 121.76 127.77 1yud s ALA 31 Ca 0.59 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1yud s ALA 31 Cb -0.19 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.62 1yud s ALA 31 CO 0.24 -0.62 0.00 0.34 0.00 0.00 0.00 175.76 175.72 1yud n PHE 32 N -2.33 0.00 -4.07 0.00 7.35 0.34 -4.26 117.46 114.50 1yud n PHE 32 Ca 0.04 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.58 1yud n PHE 32 Cb 0.58 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.38 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 -2.03 0.95 0.54 -2.13 1.01 -0.89 -4.95 116.67 109.17 1yud s ASP 33 Ca 0.00 -1.51 0.26 0.00 0.71 0.00 0.00 52.55 52.01 1yud s ASP 33 Cb 0.00 0.70 1.55 0.00 1.01 0.00 0.00 42.92 46.18 1yud s ASP 33 CO 0.00 -1.36 2.15 -0.65 0.21 0.00 0.00 175.17 175.52 1yud h PRO 34 N 2.07 0.00 0.00 8.23 0.11 -2.04 -3.36 132.00 137.01 1yud h PRO 34 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1yud h PRO 34 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1yud h PRO 34 CO 0.39 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 177.11 1yud n SER 35 N -3.88 0.00 -4.58 -2.05 3.41 -1.26 -5.03 113.62 100.23 1yud n SER 35 Ca -0.03 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.11 1yud n SER 35 Cb 0.16 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 1yud n SER 35 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1yud n ARG 36 N -2.09 1.22 -3.27 4.33 3.00 -1.26 -4.85 116.66 113.74 1yud n ARG 36 Ca 0.00 0.43 -0.30 0.00 -0.01 0.00 0.00 57.85 57.98 1yud n ARG 36 Cb 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 32.46 30.53 1yud n ARG 36 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1yud s GLN 37 N -0.72 3.69 0.50 5.56 -1.52 -1.26 -0.50 119.66 125.41 1yud s GLN 37 Ca 0.69 0.14 0.33 0.00 -1.95 0.00 0.00 55.36 54.57 1yud s GLN 37 Cb -0.80 -2.60 1.45 0.00 -0.22 0.00 0.00 33.01 30.84 1yud s GLN 37 CO 0.54 0.19 1.76 1.25 -0.25 0.00 0.00 175.29 178.78 1yud h LEU 38 N 1.79 0.13 -7.00 2.90 5.85 -1.57 0.26 115.31 117.68 1yud h LEU 38 Ca -0.47 0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.46 1yud h LEU 38 Cb 1.18 0.02 -0.18 0.00 0.37 0.00 0.00 40.66 42.05 1yud h LEU 38 CO 0.66 0.00 0.66 -1.66 -0.34 0.00 0.00 178.44 177.77 1yud s TRP 39 N -5.10 -0.24 -0.06 1.25 1.48 -1.07 -3.97 118.94 111.23 1yud s TRP 39 Ca -0.06 0.18 -0.02 0.00 -1.06 0.00 0.00 56.10 55.13 1yud s TRP 39 Cb 0.25 0.52 0.04 0.00 -1.16 0.00 0.00 33.47 33.11 1yud s TRP 39 CO 0.81 -0.35 0.13 -1.54 -4.06 0.00 0.00 176.95 171.94 1yud s SER 40 N -2.19 -0.05 0.21 -2.66 1.04 -1.12 -1.34 113.70 107.58 1yud s SER 40 Ca 0.07 0.27 0.10 0.00 0.48 0.00 0.00 55.95 56.87 1yud s SER 40 Cb -0.01 0.16 -0.04 0.00 0.10 0.00 0.00 66.02 66.22 1yud s SER 40 CO -0.06 -0.15 -0.14 -0.55 0.98 0.00 0.00 173.24 173.32 1yud s SER 41 N 1.21 3.99 0.22 7.02 0.15 -1.00 -1.06 113.70 124.23 1yud s SER 41 Ca -0.09 -0.72 0.03 0.00 0.70 0.00 0.00 55.95 55.88 1yud s SER 41 Cb -0.12 -0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 63.62 1yud s SER 41 CO -0.06 0.09 0.22 2.30 1.20 0.00 0.00 173.24 176.99 1yud n ILE 42 N -0.08 0.00 -5.22 6.45 -5.35 -0.69 -2.74 119.36 111.72 1yud n ILE 42 Ca -0.10 -1.47 -0.31 0.00 -0.27 0.00 0.00 62.75 60.60 1yud n ILE 42 Cb 0.57 0.77 -0.15 0.00 -1.74 0.00 0.00 39.64 39.08 1yud n ILE 42 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1yud s TYR 43 N -3.09 2.41 -0.12 4.28 2.02 -0.41 -2.60 117.35 119.84 1yud s TYR 43 Ca 0.24 -0.39 -0.03 0.00 -0.37 0.00 0.00 57.07 56.52 1yud s TYR 43 Cb 0.01 -1.53 0.04 0.00 -0.40 0.00 0.00 41.96 40.08 1yud s TYR 43 CO 0.17 0.00 0.04 0.12 -1.57 0.00 0.00 175.55 174.31 1yud s PHE 44 N -0.62 0.54 0.07 2.71 2.19 0.28 -2.37 117.98 120.78 1yud s PHE 44 Ca 0.10 -0.30 0.06 0.00 0.33 0.00 0.00 56.93 57.12 1yud s PHE 44 Cb -0.10 -0.77 -0.04 0.00 -1.31 0.00 0.00 43.02 40.80 1yud s PHE 44 CO -0.01 -0.42 -0.08 -1.17 1.83 0.00 0.00 175.22 175.38 1yud s LEU 45 N 2.02 3.13 -0.02 6.12 0.20 0.14 -0.00 118.68 130.26 1yud s LEU 45 Ca 0.03 -0.28 0.03 0.00 0.69 0.00 0.00 54.13 54.60 1yud s LEU 45 Cb -0.14 -1.88 -0.00 0.00 -0.43 0.00 0.00 46.19 43.74 1yud s LEU 45 CO -0.06 0.21 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.35 1yud s LEU 46 N -1.94 1.85 0.00 -0.68 1.02 0.14 -1.00 118.68 118.06 1yud s LEU 46 Ca 0.20 -0.21 0.00 0.00 0.02 0.00 0.00 54.13 54.15 1yud s LEU 46 Cb -0.11 -0.60 0.00 0.00 0.02 0.00 0.00 46.19 45.50 1yud s LEU 46 CO 0.12 0.09 0.00 -1.14 0.02 0.00 0.00 176.35 175.44 1yud n ARG 47 N 3.17 2.69 0.33 1.70 0.63 -1.26 -1.32 116.66 122.59 1yud n ARG 47 Ca -0.17 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.61 1yud n ARG 47 Cb 0.55 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.38 1yud n ARG 47 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1yud h THR 48 N 0.01 0.13 -0.67 5.15 2.02 -1.81 -3.19 112.91 114.55 1yud h THR 48 Ca 0.00 -0.34 -0.44 0.00 0.77 0.00 0.00 66.41 66.40 1yud h THR 48 Cb 0.00 0.18 -0.20 0.00 -1.74 0.00 0.00 68.15 66.39 1yud h THR 48 CO 0.00 0.02 0.57 0.61 0.37 0.00 0.00 175.52 177.09 1yud n GLY 49 N -0.62 4.59 3.41 2.16 0.00 -1.26 -4.84 105.19 108.63 1yud n GLY 49 Ca -0.12 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.51 2.29 0.02 1.61 0.41 -1.21 -5.09 118.70 114.22 1yud s GLU 50 Ca 0.43 -0.82 -0.16 0.00 -0.41 0.00 0.00 54.97 54.00 1yud s GLU 50 Cb 0.34 -2.22 0.03 0.00 -1.78 0.00 0.00 34.13 30.49 1yud s GLU 50 CO 0.01 0.59 0.36 0.14 -0.49 0.00 0.00 175.26 175.86 1yud s VAL 51 N -0.71 0.06 -0.32 2.63 -7.23 -1.26 -4.65 120.40 108.92 1yud s VAL 51 Ca 0.11 -0.51 -0.17 0.00 -1.81 0.00 0.00 61.98 59.60 1yud s VAL 51 Cb -0.10 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.98 1yud s VAL 51 CO 0.01 -0.28 0.46 -0.55 -0.31 0.00 0.00 175.10 174.42 1yud s SER 52 N -1.76 6.30 0.43 4.85 0.15 0.30 -4.28 113.70 119.69 1yud s SER 52 Ca -0.08 0.09 -0.24 0.00 0.70 0.00 0.00 55.95 56.41 1yud s SER 52 Cb -0.02 -2.25 -0.08 0.00 -1.71 0.00 0.00 66.02 61.96 1yud s SER 52 CO 0.00 -0.37 1.14 -1.00 1.20 0.00 0.00 173.24 174.22 1yud s HIS 53 N 2.25 3.02 -0.75 3.44 3.76 -0.82 -0.40 115.29 125.79 1yud s HIS 53 Ca 0.17 1.56 -0.33 0.00 -0.15 0.00 0.00 55.06 56.32 1yud s HIS 53 Cb -0.16 -3.33 -0.18 0.00 1.11 0.00 0.00 32.58 30.02 1yud s HIS 53 CO 0.12 -1.26 2.50 1.19 -0.85 0.00 0.00 174.74 176.44 1yud n PHE 54 N -0.20 0.93 -4.44 1.40 0.99 -0.52 -4.60 117.46 111.02 1yud n PHE 54 Ca 0.06 0.39 -0.21 0.00 -0.00 0.00 0.00 57.45 57.68 1yud n PHE 54 Cb 0.48 -2.43 -0.10 0.00 -1.00 0.00 0.00 39.48 36.43 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 8.83 1.95 0.02 1.38 -3.43 0.19 -3.31 115.29 120.92 1yud s HIS 55 Ca 1.24 -0.83 0.05 0.00 -0.80 0.00 0.00 55.06 54.72 1yud s HIS 55 Cb -1.07 -1.21 -0.02 0.00 -1.43 0.00 0.00 32.58 28.85 1yud s HIS 55 CO 0.48 0.14 -0.15 0.50 -2.00 0.00 0.00 174.74 173.72 1yud s ARG 56 N -3.81 1.09 0.36 -0.38 3.52 0.51 -0.89 118.95 119.34 1yud s ARG 56 Ca 0.33 -0.67 0.08 0.00 -0.13 0.00 0.00 55.73 55.34 1yud s ARG 56 Cb 0.06 -1.09 -0.04 0.00 -1.56 0.00 0.00 34.95 32.33 1yud s ARG 56 CO 0.13 0.28 0.23 -0.51 -0.81 0.00 0.00 175.30 174.63 1yud s LEU 57 N -0.78 3.35 0.00 -0.88 1.02 -1.26 -1.37 118.68 118.77 1yud s LEU 57 Ca 0.04 -0.73 0.12 0.00 0.02 0.00 0.00 54.13 53.58 1yud s LEU 57 Cb -0.07 -1.88 0.31 0.00 0.02 0.00 0.00 46.19 44.57 1yud s LEU 57 CO 0.00 -0.41 1.24 0.41 0.02 0.00 0.00 176.35 177.62 1yud n THR 58 N -1.29 0.87 -3.86 5.49 -1.04 -0.69 -3.41 114.28 110.35 1yud n THR 58 Ca -0.01 -0.94 -0.10 0.00 -2.04 0.00 0.00 64.05 60.96 1yud n THR 58 Cb 0.61 0.60 -0.06 0.00 -1.82 0.00 0.00 70.33 69.66 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 -1.01 -0.37 0.69 2.41 0.00 -1.26 -4.95 121.76 117.27 1yud s ALA 59 Ca 0.25 -0.59 -0.12 0.00 0.00 0.00 0.00 51.96 51.49 1yud s ALA 59 Cb 0.13 0.80 0.01 0.00 0.00 0.00 0.00 23.12 24.06 1yud s ALA 59 CO 0.17 -0.68 1.08 -0.51 0.00 0.00 0.00 175.76 175.82 1yud s ASP 60 N -2.91 5.19 0.03 0.00 -0.00 -1.26 -4.13 116.67 113.57 1yud s ASP 60 Ca 0.12 1.77 0.01 0.00 -0.00 0.00 0.00 52.55 54.45 1yud s ASP 60 Cb 0.02 -2.52 -0.00 0.00 -0.00 0.00 0.00 42.92 40.42 1yud s ASP 60 CO -0.03 -1.57 0.02 1.21 -0.00 0.00 0.00 175.17 174.80 1yud n GLU 61 N -2.89 0.04 -3.38 8.23 2.13 -1.02 -3.20 120.64 120.55 1yud n GLU 61 Ca 0.09 -0.29 0.02 0.00 0.66 0.00 0.00 57.16 57.63 1yud n GLU 61 Cb 0.53 0.24 -0.04 0.00 0.27 0.00 0.00 31.44 32.44 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 -2.12 -0.65 -0.09 4.31 0.52 -0.04 -1.48 118.94 119.38 1yud s TRP 63 Ca 0.04 1.10 -0.01 0.00 0.02 0.00 0.00 56.10 57.24 1yud s TRP 63 Cb 0.00 0.38 -0.03 0.00 -1.15 0.00 0.00 33.47 32.67 1yud s TRP 63 CO 0.02 -0.32 -0.02 0.71 0.02 0.00 0.00 176.95 177.36 1yud s TYR 64 N 2.46 3.09 -0.29 -1.98 2.02 -0.47 -2.49 117.35 119.68 1yud s TYR 64 Ca -0.02 0.10 -0.16 0.00 -0.37 0.00 0.00 57.07 56.62 1yud s TYR 64 Cb -0.06 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 1yud s TYR 64 CO -0.17 0.37 0.41 0.12 -1.57 0.00 0.00 175.55 174.72 1yud s PHE 65 N -0.71 3.24 -0.21 2.71 5.36 -0.17 -0.48 117.98 127.72 1yud s PHE 65 Ca 0.11 0.36 -0.16 0.00 -0.96 0.00 0.00 56.93 56.29 1yud s PHE 65 Cb -0.12 -2.66 -0.18 0.00 -0.34 0.00 0.00 43.02 39.72 1yud s PHE 65 CO 0.02 -0.30 0.07 0.72 -1.46 0.00 0.00 175.22 174.27 1yud n HIS 66 N 5.43 0.75 -3.63 10.12 8.25 -0.75 -4.96 115.22 130.43 1yud n HIS 66 Ca -0.07 0.28 -0.03 0.00 -0.26 0.00 0.00 57.72 57.64 1yud n HIS 66 Cb 0.50 -1.08 -0.02 0.00 1.12 0.00 0.00 29.99 30.51 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 -2.44 -2.15 0.00 -1.41 0.00 -0.91 -5.01 121.76 109.84 1yud s ALA 67 Ca -0.31 1.80 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1yud s ALA 67 Cb 0.08 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1yud s ALA 67 CO 0.60 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1yud n GLY 68 N 0.02 0.59 3.72 0.00 0.00 -1.26 -1.68 105.19 106.59 1yud n GLY 68 Ca 0.03 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 1yud n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yud s GLN 69 N 0.00 4.60 0.53 1.61 1.11 -0.35 -4.96 119.66 122.19 1yud s GLN 69 Ca 0.00 1.35 -0.22 0.00 0.01 0.00 0.00 55.36 56.50 1yud s GLN 69 Cb 0.00 -3.42 -0.05 0.00 -1.01 0.00 0.00 33.01 28.53 1yud s GLN 69 CO 0.00 0.10 1.31 -1.54 0.01 0.00 0.00 175.29 175.16 1yud s SER 70 N 0.49 5.47 0.53 5.90 1.04 -1.26 -4.65 113.70 121.22 1yud s SER 70 Ca 0.47 2.64 0.04 0.00 0.48 0.00 0.00 55.95 59.59 1yud s SER 70 Cb -0.22 -2.63 0.02 0.00 0.10 0.00 0.00 66.02 63.30 1yud s SER 70 CO 0.27 -1.42 0.29 -0.76 0.98 0.00 0.00 173.24 172.61 1yud s LEU 71 N -3.43 2.60 -0.08 2.42 1.02 0.10 -2.66 118.68 118.65 1yud s LEU 71 Ca 0.70 -1.35 0.02 0.00 0.02 0.00 0.00 54.13 53.51 1yud s LEU 71 Cb -0.37 -1.07 0.02 0.00 0.02 0.00 0.00 46.19 44.78 1yud s LEU 71 CO 0.44 -1.03 -0.12 -0.89 0.02 0.00 0.00 176.35 174.77 1yud s THR 72 N -2.80 1.16 -0.15 5.49 2.01 -0.90 -1.66 115.64 118.80 1yud s THR 72 Ca 0.26 -0.47 -0.07 0.00 0.31 0.00 0.00 61.69 61.73 1yud s THR 72 Cb -0.01 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1yud s THR 72 CO 0.16 0.37 0.10 -0.63 -0.69 0.00 0.00 174.62 173.93 1yud s ILE 73 N 0.90 5.13 0.34 1.82 1.01 0.03 -2.80 121.20 127.64 1yud s ILE 73 Ca -0.10 0.08 0.09 0.00 0.00 0.00 0.00 60.65 60.72 1yud s ILE 73 Cb -0.15 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 1yud s ILE 73 CO 0.01 0.53 0.02 -0.31 0.00 0.00 0.00 174.94 175.19 1yud s TYR 74 N -0.29 2.56 -0.30 3.97 1.51 -0.52 -1.78 117.35 122.50 1yud s TYR 74 Ca 0.10 -0.44 -0.16 0.00 -1.01 0.00 0.00 57.07 55.55 1yud s TYR 74 Cb -0.12 -1.51 0.17 0.00 -0.11 0.00 0.00 41.96 40.39 1yud s TYR 74 CO 0.01 0.46 1.17 0.42 -1.11 0.00 0.00 175.55 176.51 1yud s ILE 76 N -2.52 -0.14 0.63 2.71 1.01 -0.19 -2.10 121.20 120.61 1yud s ILE 76 Ca 0.35 0.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.82 1yud s ILE 76 Cb 0.00 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 1yud s ILE 76 CO 0.20 0.00 1.27 -0.94 0.00 0.00 0.00 174.94 175.47 1yud s SER 77 N 2.98 4.76 0.63 3.58 1.04 -0.31 -2.34 113.70 124.03 1yud s SER 77 Ca -0.04 2.57 0.32 0.00 0.48 0.00 0.00 55.95 59.27 1yud s SER 77 Cb -0.08 -2.61 1.75 0.00 0.10 0.00 0.00 66.02 65.17 1yud s SER 77 CO -0.09 -1.90 2.05 1.55 0.98 0.00 0.00 173.24 175.82 1yud h PRO 78 N 0.64 0.00 -0.56 4.02 0.13 -1.91 0.64 132.00 134.97 1yud h PRO 78 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1yud h PRO 78 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1yud h PRO 78 CO 0.54 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.70 1yud n GLU 79 N -3.33 1.05 -0.99 0.86 4.71 -1.26 -4.86 120.64 116.82 1yud n GLU 79 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1yud n GLU 79 Cb 0.36 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 29.49 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 0.24 0.33 3.74 0.62 0.00 0.22 -5.02 105.19 105.33 1yud n GLY 80 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.70 4.25 -0.11 1.61 2.12 -1.24 -4.85 118.70 119.78 1yud s GLU 81 Ca 0.00 0.35 -0.14 0.00 0.36 0.00 0.00 54.97 55.54 1yud s GLU 81 Cb 0.00 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 1yud s GLU 81 CO 0.00 0.27 0.32 -1.17 -0.54 0.00 0.00 175.26 174.14 1yud s LEU 82 N 0.30 4.32 0.06 2.70 0.20 -1.26 -1.17 118.68 123.84 1yud s LEU 82 Ca 0.23 0.66 0.05 0.00 0.69 0.00 0.00 54.13 55.75 1yud s LEU 82 Cb -0.15 -2.43 -0.03 0.00 -0.43 0.00 0.00 46.19 43.16 1yud s LEU 82 CO 0.09 0.18 -0.13 0.28 -0.29 0.00 0.00 176.35 176.48 1yud s THR 83 N -0.10 1.04 0.46 3.68 -1.32 -1.26 -5.01 115.64 113.13 1yud s THR 83 Ca 0.19 -1.22 0.03 0.00 -1.21 0.00 0.00 61.69 59.48 1yud s THR 83 Cb -0.14 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.83 1yud s THR 83 CO 0.07 -0.20 0.09 0.42 -2.21 0.00 0.00 174.62 172.78 1yud s THR 84 N -1.21 0.75 -0.27 5.08 -4.23 -1.26 -4.55 115.64 109.95 1yud s THR 84 Ca -0.02 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.24 1yud s THR 84 Cb -0.10 -2.22 0.09 0.00 1.34 0.00 0.00 72.50 71.61 1yud s THR 84 CO 0.02 0.00 0.81 0.00 -0.54 0.00 0.00 174.62 174.91 1yud s ALA 85 N -3.07 -1.85 -0.42 3.99 0.00 -0.73 -4.96 121.76 114.72 1yud s ALA 85 Ca 0.15 2.01 -0.10 0.00 0.00 0.00 0.00 51.96 54.03 1yud s ALA 85 Cb 0.01 -1.27 0.08 0.00 0.00 0.00 0.00 23.12 21.93 1yud s ALA 85 CO 0.10 -0.31 0.27 -0.65 0.00 0.00 0.00 175.76 175.16 1yud s GLN 86 N 0.42 2.64 -0.11 0.00 -1.52 -1.26 -0.79 119.66 119.04 1yud s GLN 86 Ca 0.00 -1.44 -0.20 0.00 -1.95 0.00 0.00 55.36 51.78 1yud s GLN 86 Cb -0.05 -3.80 -0.04 0.00 -0.22 0.00 0.00 33.01 28.90 1yud s GLN 86 CO -0.02 -0.95 0.56 -1.17 -0.25 0.00 0.00 175.29 173.46 1yud s LEU 87 N 1.44 4.27 0.00 2.90 2.96 -0.66 -0.80 118.68 128.80 1yud s LEU 87 Ca 0.03 0.92 0.00 0.00 -0.22 0.00 0.00 54.13 54.86 1yud s LEU 87 Cb -0.23 -2.83 0.00 0.00 0.50 0.00 0.00 46.19 43.63 1yud s LEU 87 CO 0.03 -0.07 0.00 0.61 -1.32 0.00 0.00 176.35 175.60 1yud n GLY 88 N 3.30 -1.40 0.34 7.98 0.00 -0.59 0.02 105.19 114.84 1yud n GLY 88 Ca -0.05 -1.21 0.07 0.00 0.00 0.00 0.00 46.02 44.84 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 1.55 -4.57 0.99 4.77 -1.26 -1.67 117.00 116.80 1yud n LEU 89 Ca 0.00 -0.77 -0.40 0.00 -0.03 0.00 0.00 56.01 54.81 1yud n LEU 89 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1yud n LEU 89 CO 0.00 0.30 1.68 -0.62 -1.33 0.00 0.00 177.39 177.42 1yud s ASP 90 N -1.77 5.32 0.06 -1.43 3.68 -1.26 -4.82 116.67 116.45 1yud s ASP 90 Ca 0.12 0.93 -0.16 0.00 2.13 0.00 0.00 52.55 55.57 1yud s ASP 90 Cb 0.12 -2.52 -0.21 0.00 -1.45 0.00 0.00 42.92 38.86 1yud s ASP 90 CO 0.37 -2.23 1.20 -0.07 0.13 0.00 0.00 175.17 174.57 1yud h LEU 91 N 16.06 0.76 -0.88 -1.34 3.38 -1.92 -2.81 115.31 128.55 1yud h LEU 91 Ca -0.29 -0.70 0.24 0.00 0.09 0.00 0.00 57.88 57.21 1yud h LEU 91 Cb 1.19 -0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.56 1yud h LEU 91 CO 1.12 1.35 0.15 0.00 0.09 0.00 0.00 178.44 181.16 1yud h ALA 92 N 0.43 1.19 -0.94 1.53 0.00 -1.92 -3.41 119.26 116.13 1yud h ALA 92 Ca -0.08 0.25 -0.49 0.00 0.00 0.00 0.00 54.91 54.60 1yud h ALA 92 Cb 1.42 0.40 0.06 0.00 0.00 0.00 0.00 17.79 19.67 1yud h ALA 92 CO 0.15 -0.50 0.03 0.00 0.00 0.00 0.00 179.25 178.94 1yud s ALA 93 N -5.97 4.21 -0.76 0.00 0.00 -1.22 -4.96 121.76 113.06 1yud s ALA 93 Ca -0.12 -2.04 -0.08 0.00 0.00 0.00 0.00 51.96 49.72 1yud s ALA 93 Cb 0.26 -1.70 -0.17 0.00 0.00 0.00 0.00 23.12 21.51 1yud s ALA 93 CO 0.77 -1.29 3.15 0.41 0.00 0.00 0.00 175.76 178.80 1yud n GLY 94 N -2.62 3.48 3.42 0.00 0.00 -1.26 -4.84 105.19 103.37 1yud n GLY 94 Ca 0.17 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 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 1.73 3.57 -0.05 1.61 2.02 -1.06 -4.18 118.70 122.34 1yud s GLU 95 Ca 0.64 -0.54 0.06 0.00 0.02 0.00 0.00 54.97 55.16 1yud s GLU 95 Cb 0.24 -3.08 -0.01 0.00 0.10 0.00 0.00 34.13 31.38 1yud s GLU 95 CO -0.03 -0.03 -0.24 0.50 0.02 0.00 0.00 175.26 175.48 1yud s ARG 96 N 1.12 2.35 0.59 1.61 6.06 0.02 -4.36 118.95 126.33 1yud s ARG 96 Ca 0.02 -0.85 0.29 0.00 -2.50 0.00 0.00 55.73 52.69 1yud s ARG 96 Cb -0.14 -2.03 1.70 0.00 0.06 0.00 0.00 34.95 34.54 1yud s ARG 96 CO 0.01 0.38 2.16 -1.35 -2.50 0.00 0.00 175.30 174.00 1yud h PRO 97 N 6.02 0.00 -5.12 5.12 0.11 -1.63 -1.57 132.00 134.94 1yud h PRO 97 Ca -0.33 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.35 1yud h PRO 97 Cb 1.17 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.14 1yud h PRO 97 CO 0.47 0.00 -0.61 -0.65 -0.21 0.00 0.00 178.00 177.00 1yud s GLN 98 N -4.65 1.57 -0.25 1.05 -0.21 -1.26 -0.99 119.66 114.92 1yud s GLN 98 Ca -0.05 -1.86 -0.29 0.00 0.02 0.00 0.00 55.36 53.18 1yud s GLN 98 Cb 0.15 -0.67 0.17 0.00 1.00 0.00 0.00 33.01 33.66 1yud s GLN 98 CO 0.55 -0.22 1.25 0.12 -2.12 0.00 0.00 175.29 174.87 1yud s PHE 99 N -3.45 -0.15 -0.20 0.91 5.36 -1.04 -4.94 117.98 114.48 1yud s PHE 99 Ca 0.37 0.28 -0.03 0.00 -0.96 0.00 0.00 56.93 56.58 1yud s PHE 99 Cb 0.08 0.48 -0.01 0.00 -0.34 0.00 0.00 43.02 43.23 1yud s PHE 99 CO 0.15 -0.13 -0.05 -1.17 -1.46 0.00 0.00 175.22 172.56 1yud s LEU 100 N -0.87 2.96 -0.41 6.12 0.20 -1.26 -0.86 118.68 124.56 1yud s LEU 100 Ca 0.05 -0.32 -0.13 0.00 0.69 0.00 0.00 54.13 54.42 1yud s LEU 100 Cb -0.01 -1.74 0.04 0.00 -0.43 0.00 0.00 46.19 44.05 1yud s LEU 100 CO -0.06 0.04 0.29 0.54 -0.29 0.00 0.00 176.35 176.87 1yud s VAL 101 N 1.11 4.94 0.47 1.68 0.11 -0.55 -4.99 120.40 123.16 1yud s VAL 101 Ca 0.01 -0.89 -0.24 0.00 -2.93 0.00 0.00 61.98 57.93 1yud s VAL 101 Cb -0.15 -3.82 -0.08 0.00 -1.53 0.00 0.00 36.38 30.80 1yud s VAL 101 CO -0.00 -0.37 1.39 -0.81 -3.33 0.00 0.00 175.10 171.97 1yud n PRO 102 N 5.09 2.06 -2.10 1.54 -0.04 -1.26 -2.42 135.00 137.88 1yud n PRO 102 Ca -0.11 0.74 -0.40 0.00 -0.04 0.00 0.00 63.50 63.68 1yud n PRO 102 Cb 0.46 -2.57 -0.01 0.00 -0.04 0.00 0.00 33.50 31.33 1yud n PRO 102 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1yud s LYS 103 N -2.51 4.19 0.00 0.54 -2.85 -1.26 -3.67 119.74 114.19 1yud s LYS 103 Ca 0.64 2.18 0.00 0.00 -1.00 0.00 0.00 55.97 57.78 1yud s LYS 103 Cb -0.45 -2.93 0.00 0.00 -2.06 0.00 0.00 37.83 32.39 1yud s LYS 103 CO 0.56 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 176.10 1yud n GLY 104 N 0.73 1.73 3.84 0.59 0.00 -1.22 -4.97 105.19 105.90 1yud n GLY 104 Ca 0.02 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.62 4.96 0.07 0.00 1.01 -0.99 -4.45 121.20 120.18 1yud s ILE 106 Ca 0.44 1.51 -0.02 0.00 0.00 0.00 0.00 60.65 62.57 1yud s ILE 106 Cb -0.14 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.22 1yud s ILE 106 CO 0.20 0.11 0.02 0.72 0.00 0.00 0.00 174.94 175.99 1yud s PHE 107 N 1.68 0.54 0.32 3.97 -0.71 -0.07 -1.02 117.98 122.69 1yud s PHE 107 Ca 0.37 -1.04 -0.02 0.00 -1.04 0.00 0.00 56.93 55.19 1yud s PHE 107 Cb -0.17 -0.36 0.01 0.00 -1.21 0.00 0.00 43.02 41.29 1yud s PHE 107 CO 0.14 -0.44 0.46 0.41 -1.34 0.00 0.00 175.22 174.46 1yud n GLY 108 N 0.04 2.13 3.53 1.99 0.00 -0.89 -0.64 105.19 111.34 1yud n GLY 108 Ca -0.12 -1.57 -0.17 0.00 0.00 0.00 0.00 46.02 44.16 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 -2.96 -0.62 0.00 1.61 0.15 0.47 -1.44 113.70 110.90 1yud s SER 109 Ca 0.26 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.60 1yud s SER 109 Cb -0.01 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1yud s SER 109 CO 0.18 -0.57 0.00 0.00 1.20 0.00 0.00 173.24 174.05 1yud n ALA 110 N 0.91 0.00 -0.01 5.45 0.00 -1.12 0.11 120.51 125.85 1yud n ALA 110 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.23 1yud n ALA 110 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 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 1.10 -2.74 0.00 5.03 -1.09 -2.11 115.26 115.46 1yud n ASN 112 Ca 0.00 0.17 -0.05 0.00 0.87 0.00 0.00 54.58 55.57 1yud n ASN 112 Cb 0.00 -0.45 0.01 0.00 -1.02 0.00 0.00 39.78 38.32 1yud n ASN 112 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1yud n GLN 113 N -3.56 0.96 -2.42 3.52 3.00 -1.26 -5.13 117.38 112.48 1yud n GLN 113 Ca -0.05 -0.80 -0.25 0.00 -0.01 0.00 0.00 57.00 55.89 1yud n GLN 113 Cb 0.18 -0.04 0.13 0.00 0.00 0.00 0.00 30.24 30.52 1yud n GLN 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1yud s ASP 114 N -1.89 3.98 0.00 1.08 1.01 -1.26 -4.91 116.67 114.68 1yud s ASP 114 Ca 0.14 -0.22 0.00 0.00 0.71 0.00 0.00 52.55 53.18 1yud s ASP 114 Cb -0.01 -0.04 0.00 0.00 1.01 0.00 0.00 42.92 43.87 1yud s ASP 114 CO 0.09 -2.12 0.00 0.61 0.21 0.00 0.00 175.17 173.96 1yud n GLY 115 N -3.10 0.49 3.24 0.21 0.00 -1.26 -4.86 105.19 99.91 1yud n GLY 115 Ca 0.15 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 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 0.29 -0.17 1.61 -0.71 -1.26 -2.09 117.98 115.65 1yud s PHE 116 Ca 0.00 -0.70 -0.05 0.00 -1.04 0.00 0.00 56.93 55.14 1yud s PHE 116 Cb 0.00 -0.10 0.08 0.00 -1.21 0.00 0.00 43.02 41.80 1yud s PHE 116 CO 0.00 -0.60 0.31 -1.12 -1.34 0.00 0.00 175.22 172.47 1yud s SER 117 N -2.91 0.31 -0.22 1.98 0.01 -0.44 -1.21 113.70 111.22 1yud s SER 117 Ca 0.10 0.54 -0.05 0.00 1.31 0.00 0.00 55.95 57.85 1yud s SER 117 Cb 0.05 0.88 -0.02 0.00 0.21 0.00 0.00 66.02 67.13 1yud s SER 117 CO -0.06 -0.26 0.01 -0.22 0.41 0.00 0.00 173.24 173.12 1yud s LEU 118 N 2.47 3.23 0.07 2.44 2.96 -0.68 -0.69 118.68 128.50 1yud s LEU 118 Ca 0.03 -0.24 0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1yud s LEU 118 Cb -0.13 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 1yud s LEU 118 CO -0.11 0.02 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.14 1yud s VAL 119 N 1.28 0.87 0.15 1.68 1.01 1.00 -1.82 120.40 124.56 1yud s VAL 119 Ca 0.04 -1.37 0.02 0.00 0.00 0.00 0.00 61.98 60.67 1yud s VAL 119 Cb -0.15 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1yud s VAL 119 CO 0.01 -0.41 0.29 -0.83 0.00 0.00 0.00 175.10 174.17 1yud s GLY 120 N -1.97 1.78 0.33 4.51 0.00 0.37 0.98 107.32 113.33 1yud s GLY 120 Ca -0.02 -0.98 0.06 0.00 0.00 0.00 0.00 44.72 43.79 1yud s GLY 120 CO 0.01 -0.97 0.31 0.00 0.00 0.00 0.00 173.10 172.46 1yud n VAL 123 N -0.62 0.00 0.00 0.00 3.14 -0.22 -1.70 118.33 118.92 1yud n VAL 123 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 1yud n VAL 123 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 1yud n VAL 123 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1yud n SER 124 N 0.00 0.00 -4.55 6.55 2.88 -1.19 -2.81 113.62 114.50 1yud n SER 124 Ca 0.00 0.30 -0.43 0.00 -1.33 0.00 0.00 58.87 57.41 1yud n SER 124 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1yud n SER 124 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1yud n PRO 125 N -0.59 1.43 0.00 -1.46 -0.02 -1.26 -2.60 135.00 130.50 1yud n PRO 125 Ca 0.00 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1yud n PRO 125 Cb 0.00 -3.06 0.00 0.00 -0.02 0.00 0.00 33.50 30.42 1yud n PRO 125 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yud n GLY 126 N 6.04 0.00 3.77 -1.23 0.00 0.90 -4.82 105.19 109.86 1yud n GLY 126 Ca 0.36 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 2.68 0.25 1.61 5.36 -1.26 -4.53 117.98 122.08 1yud s PHE 127 Ca 0.00 1.26 -0.14 0.00 -0.96 0.00 0.00 56.93 57.09 1yud s PHE 127 Cb 0.00 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.78 1yud s PHE 127 CO 0.00 -2.67 0.51 0.95 -1.46 0.00 0.00 175.22 172.55 1yud s THR 128 N -1.15 0.00 -0.73 0.12 -4.23 -1.26 -4.98 115.64 103.41 1yud s THR 128 Ca 0.54 -1.32 -0.04 0.00 -1.18 0.00 0.00 61.69 59.68 1yud s THR 128 Cb -0.44 -2.14 0.07 0.00 1.34 0.00 0.00 72.50 71.33 1yud s THR 128 CO 0.59 -0.01 2.67 0.49 -0.54 0.00 0.00 174.62 177.82 1yud n PHE 129 N -0.39 1.88 -0.27 3.99 3.72 -1.26 -2.78 117.46 122.35 1yud n PHE 129 Ca -0.02 -2.22 0.00 0.00 -0.05 0.00 0.00 57.45 55.16 1yud n PHE 129 Cb 0.61 -1.54 0.00 0.00 -0.94 0.00 0.00 39.48 37.62 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 1.20 0.03 -0.02 4.37 9.92 -1.26 -4.69 116.55 126.11 1yud n ASP 130 Ca 0.53 -0.34 0.02 0.00 -0.53 0.00 0.00 54.79 54.47 1yud n ASP 130 Cb 0.46 0.08 0.03 0.00 -0.64 0.00 0.00 41.12 41.05 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 -0.08 1.89 -4.26 -2.24 8.00 -1.12 -4.93 116.55 113.82 1yud n ASP 131 Ca 0.00 -2.13 -0.32 0.00 0.71 0.00 0.00 54.79 53.05 1yud n ASP 131 Cb 0.07 -0.08 -0.16 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.26 2.51 -0.01 1.24 5.36 -1.25 -1.70 117.98 122.87 1yud s PHE 132 Ca 0.06 -0.83 -0.00 0.00 -0.96 0.00 0.00 56.93 55.20 1yud s PHE 132 Cb 0.05 -1.66 0.02 0.00 -0.34 0.00 0.00 43.02 41.09 1yud s PHE 132 CO 0.01 -0.29 0.02 -2.00 -1.46 0.00 0.00 175.22 171.50 1yud s GLU 133 N 0.05 -0.03 0.02 10.12 2.12 -0.47 -4.97 118.70 125.54 1yud s GLU 133 Ca -0.10 0.14 0.03 0.00 0.36 0.00 0.00 54.97 55.40 1yud s GLU 133 Cb -0.15 -0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.03 1yud s GLU 133 CO 0.06 -0.12 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.45 1yud s LEU 134 N 0.75 3.32 -0.05 2.70 2.96 -1.26 -0.37 118.68 126.74 1yud s LEU 134 Ca -0.06 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1yud s LEU 134 Cb -0.09 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 1yud s LEU 134 CO -0.02 0.26 -0.20 -0.36 -1.32 0.00 0.00 176.35 174.70 1yud s PHE 135 N -1.09 1.99 0.12 5.38 0.40 -1.21 -5.01 117.98 118.57 1yud s PHE 135 Ca 0.20 -0.57 -0.28 0.00 -0.60 0.00 0.00 56.93 55.68 1yud s PHE 135 Cb -0.11 -1.32 -0.07 0.00 0.51 0.00 0.00 43.02 42.03 1yud s PHE 135 CO 0.11 -0.18 0.88 -1.54 0.70 0.00 0.00 175.22 175.19 1yud s SER 136 N -0.08 7.43 0.30 1.36 1.04 -1.26 -4.76 113.70 117.73 1yud s SER 136 Ca -0.03 1.70 0.10 0.00 0.48 0.00 0.00 55.95 58.21 1yud s SER 136 Cb -0.12 -2.55 0.93 0.00 0.10 0.00 0.00 66.02 64.38 1yud s SER 136 CO 0.03 0.03 1.38 1.67 0.98 0.00 0.00 173.24 177.32 1yud n GLN 137 N 2.41 -0.06 -0.01 4.02 7.27 -1.13 0.63 117.38 130.51 1yud n GLN 137 Ca -0.01 1.26 -0.05 0.00 0.07 0.00 0.00 57.00 58.27 1yud n GLN 137 Cb 0.49 -2.13 0.17 0.00 2.41 0.00 0.00 30.24 31.18 1yud n GLN 137 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1yud h GLU 138 N 0.00 0.56 -0.31 3.69 4.81 -1.92 -1.23 114.58 120.18 1yud h GLU 138 Ca 0.64 -0.22 -0.16 0.00 -0.13 0.00 0.00 59.36 59.49 1yud h GLU 138 Cb 1.54 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.89 1yud h GLU 138 CO -0.75 0.76 -0.45 0.00 -0.73 0.00 0.00 179.01 177.85 1yud h ALA 139 N 1.24 0.62 0.00 2.92 0.00 -0.19 -2.39 119.26 121.46 1yud h ALA 139 Ca 0.07 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1yud h ALA 139 Cb 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1yud h ALA 139 CO 0.05 0.68 0.00 1.28 0.00 0.00 0.00 179.25 181.26 1yud n LEU 140 N -4.03 0.00 -0.04 0.00 4.77 -0.65 -3.00 117.00 114.06 1yud n LEU 140 Ca -0.03 0.42 -0.04 0.00 -0.03 0.00 0.00 56.01 56.34 1yud n LEU 140 Cb 0.57 -0.42 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 1yud n LEU 140 CO 0.48 -0.10 -0.74 0.18 -1.33 0.00 0.00 177.39 175.88 1yud n LEU 141 N -1.42 0.39 -0.24 2.23 4.32 -0.49 -4.31 117.00 117.49 1yud n LEU 141 Ca 0.07 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.24 1yud n LEU 141 Cb 0.23 0.25 0.00 0.00 -1.62 0.00 0.00 43.42 42.28 1yud n LEU 141 CO 0.19 0.30 0.12 0.00 -1.22 0.00 0.00 177.39 176.78 1yud n ALA 142 N -2.54 1.64 -1.48 -1.18 0.00 -0.94 -3.24 120.51 112.76 1yud n ALA 142 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 1yud n ALA 142 Cb 0.96 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.40 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 -0.10 -0.19 0.24 0.00 4.01 -1.26 -5.06 117.16 114.80 1yud n TYR 144 Ca 0.00 0.06 0.08 0.00 -0.16 0.00 0.00 57.90 57.88 1yud n TYR 144 Cb 0.04 -0.20 0.64 0.00 -0.31 0.00 0.00 39.34 39.50 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 -0.07 0.01 -0.10 -0.72 0.11 -1.80 -2.58 132.00 126.85 1yud h PRO 145 Ca -0.05 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1yud h PRO 145 Cb 0.16 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 1yud h PRO 145 CO 0.08 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 177.87 1yud n GLN 146 N -4.53 0.41 -1.21 1.05 0.00 -1.26 -1.92 117.38 109.92 1yud n GLN 146 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 57.00 57.02 1yud n GLN 146 Cb 0.11 -1.05 0.05 0.00 0.00 0.00 0.00 30.24 29.36 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 -0.30 0.00 -0.32 2.61 8.25 -0.97 -4.92 115.22 119.57 1yud n HIS 147 Ca 0.00 -0.62 0.11 0.00 -0.26 0.00 0.00 57.72 56.95 1yud n HIS 147 Cb 0.03 -0.16 0.24 0.00 1.12 0.00 0.00 29.99 31.22 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 0.04 0.00 -0.41 3.64 -1.57 0.20 116.57 119.34 1yud h LYS 148 Ca -0.16 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1yud h LYS 148 Cb 1.68 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 1yud h LYS 148 CO 0.07 0.03 0.00 0.00 -2.27 0.00 0.00 179.45 177.28 1yud n ALA 149 N -3.11 -0.14 0.32 5.00 0.00 -1.26 -1.92 120.51 119.40 1yud n ALA 149 Ca 0.20 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.86 1yud n ALA 149 Cb 0.66 0.15 1.15 0.00 0.00 0.00 0.00 19.45 21.41 1yud n ALA 149 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1yud h VAL 150 N 0.00 0.00 0.00 0.00 3.04 -1.86 -0.34 116.25 117.09 1yud h VAL 150 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 1yud h VAL 150 Cb 0.00 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.26 1yud h VAL 150 CO 0.00 0.00 -0.08 0.58 -1.01 0.00 0.00 177.57 177.06 1yud h VAL 151 N 0.00 0.00 0.00 1.51 2.07 -0.47 -3.16 116.25 116.20 1yud h VAL 151 Ca 0.00 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1yud h VAL 151 Cb 0.02 1.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1yud h VAL 151 CO 0.00 0.00 -1.94 0.00 0.02 0.00 0.00 177.57 175.65 1yud n GLN 152 N -2.62 0.63 0.20 1.57 6.02 -0.20 -3.39 117.38 119.59 1yud n GLN 152 Ca 0.05 -0.18 0.08 0.00 -0.01 0.00 0.00 57.00 56.93 1yud n GLN 152 Cb 0.48 -1.53 0.30 0.00 1.02 0.00 0.00 30.24 30.51 1yud n GLN 152 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1yud h LYS 153 N 0.00 0.00 0.00 -1.09 3.64 -1.40 -3.26 116.57 114.47 1yud h LYS 153 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1yud h LYS 153 Cb 0.98 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1yud h LYS 153 CO 0.00 0.27 -0.24 1.28 -2.27 0.00 0.00 179.45 178.48 1yud n LEU 154 N -3.29 2.48 -3.89 5.20 4.77 -1.20 -5.01 117.00 116.06 1yud n LEU 154 Ca 0.01 -3.43 -0.11 0.00 -0.03 0.00 0.00 56.01 52.45 1yud n LEU 154 Cb 0.53 -0.47 -0.12 0.00 -2.33 0.00 0.00 43.42 41.03 1yud n LEU 154 CO 0.35 1.02 -0.28 -0.44 -1.33 0.00 0.00 177.39 176.71 1yud s SER 155 N -3.02 0.05 -0.21 -1.43 0.01 -1.22 -1.43 113.70 106.45 1yud s SER 155 Ca 0.34 -0.14 -0.20 0.00 1.31 0.00 0.00 55.95 57.27 1yud s SER 155 Cb 0.32 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.66 1yud s SER 155 CO -0.02 -0.19 0.58 0.00 0.41 0.00 0.00 173.24 174.02 1yud s ARG 156 N -0.76 4.18 0.00 12.44 3.03 -1.26 -4.85 118.95 131.73 1yud s ARG 156 Ca -0.08 0.50 0.00 0.00 2.03 0.00 0.00 55.73 58.18 1yud s ARG 156 Cb -0.05 -3.59 0.00 0.00 -1.03 0.00 0.00 34.95 30.28 1yud s ARG 156 CO 0.00 -0.24 0.44 -0.35 -1.13 0.00 0.00 175.30 174.02 1yud n PRO 157 N 5.09 0.00 -0.32 3.89 -0.04 -1.26 -2.86 135.00 139.50 1yud n PRO 157 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1yud n PRO 157 Cb 0.50 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1yud n PRO 157 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85