#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yud n ASN 3 N 0.00 -0.11 0.15 1.69 5.15 -1.26 -4.85 115.26 116.03 1yud n ASN 3 Ca 0.00 0.50 0.12 0.00 -0.60 0.00 0.00 54.58 54.60 1yud n ASN 3 Cb 0.00 -1.39 0.54 0.00 -0.53 0.00 0.00 39.78 38.40 1yud n ASN 3 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yud n ALA 4 N -3.41 1.38 0.24 5.20 0.00 -1.26 -1.55 120.51 121.11 1yud n ALA 4 Ca 0.11 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.82 1yud n ALA 4 Cb 0.51 -1.36 0.26 0.00 0.00 0.00 0.00 19.45 18.87 1yud n ALA 4 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1yud h ASP 5 N 0.00 0.00 -0.08 0.00 3.32 -1.99 -3.11 116.42 114.56 1yud h ASP 5 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1yud h ASP 5 Cb 0.20 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1yud h ASP 5 CO 0.00 0.00 -0.06 0.44 -1.72 0.00 0.00 179.24 177.90 1yud h ASP 6 N 0.00 0.19 -0.22 6.45 3.32 -1.62 -2.31 116.42 122.23 1yud h ASP 6 Ca 0.00 -0.46 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 1yud h ASP 6 Cb 0.91 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1yud h ASP 6 CO 0.00 0.61 0.11 -0.26 -1.72 0.00 0.00 179.24 177.98 1yud h PHE 7 N -0.23 0.31 0.00 4.55 0.05 -1.69 0.55 116.94 120.48 1yud h PHE 7 Ca 0.01 -0.01 -0.04 0.00 3.82 0.00 0.00 57.97 61.75 1yud h PHE 7 Cb 0.55 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 38.40 1yud h PHE 7 CO 0.08 0.31 -0.20 0.97 -0.18 0.00 0.00 178.31 179.29 1yud h ILE 8 N 0.23 0.99 0.00 -0.55 2.10 -1.61 -1.82 117.51 116.86 1yud h ILE 8 Ca 0.08 -0.72 -0.16 0.00 1.08 0.00 0.00 64.86 65.13 1yud h ILE 8 Cb 0.11 1.40 -0.02 0.00 -1.09 0.00 0.00 36.82 37.22 1yud h ILE 8 CO -0.01 0.19 -1.07 1.17 -1.08 0.00 0.00 178.15 177.35 1yud n LYS 9 N -4.08 0.53 -0.30 2.19 4.81 -0.87 -1.43 118.16 119.01 1yud n LYS 9 Ca -0.02 0.54 -0.01 0.00 -0.87 0.00 0.00 58.31 57.95 1yud n LYS 9 Cb 0.27 -1.71 0.17 0.00 0.02 0.00 0.00 35.03 33.78 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 -1.00 1.11 0.00 5.64 0.04 0.03 -1.64 116.94 121.12 1yud h PHE 10 Ca -0.25 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1yud h PHE 10 Cb 1.06 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1yud h PHE 10 CO -0.02 0.71 -0.20 1.28 -0.60 0.00 0.00 178.31 179.48 1yud n LEU 11 N -4.39 0.36 -2.77 1.54 4.77 -0.68 -4.93 117.00 110.90 1yud n LEU 11 Ca 0.10 0.36 -0.15 0.00 -0.03 0.00 0.00 56.01 56.29 1yud n LEU 11 Cb 0.03 -0.37 0.06 0.00 -2.33 0.00 0.00 43.42 40.82 1yud n LEU 11 CO 0.37 -0.01 0.13 -0.62 -1.33 0.00 0.00 177.39 175.93 1yud n GLU 12 N -1.72 -5.31 -2.60 3.23 1.02 -0.62 -4.91 120.64 109.73 1yud n GLU 12 Ca 0.06 0.61 -0.42 0.00 -0.02 0.00 0.00 57.16 57.39 1yud n GLU 12 Cb 0.37 -4.96 -0.03 0.00 -0.02 0.00 0.00 31.44 26.80 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 -5.38 4.31 0.00 -4.62 1.43 -0.51 -4.79 118.68 109.11 1yud s LEU 13 Ca 0.20 1.71 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 1yud s LEU 13 Cb -0.09 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.62 1yud s LEU 13 CO 0.53 -0.42 0.43 -0.62 0.23 0.00 0.00 176.35 176.50 1yud n GLU 14 N 4.53 0.53 -2.94 1.70 1.02 -0.07 -4.74 120.64 120.68 1yud n GLU 14 Ca 0.08 -1.38 -0.40 0.00 -0.02 0.00 0.00 57.16 55.44 1yud n GLU 14 Cb 0.48 -0.22 -0.05 0.00 -0.02 0.00 0.00 31.44 31.64 1yud n GLU 14 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1yud s GLN 15 N -3.48 4.51 0.02 3.49 0.74 -1.26 -1.94 119.66 121.74 1yud s GLN 15 Ca 0.30 1.11 -0.06 0.00 0.05 0.00 0.00 55.36 56.76 1yud s GLN 15 Cb -0.02 -3.39 -0.05 0.00 1.10 0.00 0.00 33.01 30.65 1yud s GLN 15 CO 0.20 0.19 0.28 -1.58 -0.55 0.00 0.00 175.29 173.82 1yud s HIS 16 N 0.25 3.57 0.12 1.67 5.65 -0.55 -4.85 115.29 121.16 1yud s HIS 16 Ca 0.41 0.57 -0.17 0.00 0.25 0.00 0.00 55.06 56.12 1yud s HIS 16 Cb -0.20 -1.99 -0.03 0.00 -1.18 0.00 0.00 32.58 29.17 1yud s HIS 16 CO 0.23 0.60 1.69 -0.24 -0.65 0.00 0.00 174.74 176.38 1yud h VAL 17 N 2.97 1.16 0.00 0.89 3.04 -1.97 -2.79 116.25 119.56 1yud h VAL 17 Ca -0.50 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 1yud h VAL 17 Cb 1.19 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 1yud h VAL 17 CO 0.67 0.17 0.00 -1.84 -1.01 0.00 0.00 177.57 175.56 1yud n GLU 18 N -4.75 0.03 0.00 4.17 0.28 -1.26 -4.95 120.64 114.15 1yud n GLU 18 Ca -0.01 0.22 0.00 0.00 -0.16 0.00 0.00 57.16 57.21 1yud n GLU 18 Cb 0.11 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.48 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 0.11 3.52 7.00 -1.84 0.00 -1.05 -0.48 105.19 112.45 1yud n GLY 19 Ca 0.04 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.35 -0.34 3.16 -0.02 0.00 -1.26 -4.46 105.19 100.91 1yud n GLY 20 Ca 0.00 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 0.84 0.13 1.61 0.08 0.05 -1.48 117.98 119.21 1yud s PHE 21 Ca 0.00 -0.92 -0.05 0.00 0.12 0.00 0.00 56.93 56.08 1yud s PHE 21 Cb 0.00 -0.50 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 1yud s PHE 21 CO 0.00 -0.18 0.27 2.48 -0.10 0.00 0.00 175.22 177.70 1yud n TYR 22 N 0.02 -1.46 -3.55 0.36 0.18 -0.82 -0.90 117.16 110.99 1yud n TYR 22 Ca -0.13 -0.63 0.02 0.00 1.88 0.00 0.00 57.90 59.04 1yud n TYR 22 Cb 0.61 0.32 -0.06 0.00 -0.38 0.00 0.00 39.34 39.83 1yud n TYR 22 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1yud s ARG 23 N -2.03 0.11 -0.17 -3.48 3.00 -1.26 -0.89 118.95 114.23 1yud s ARG 23 Ca 0.05 0.20 -0.29 0.00 -1.00 0.00 0.00 55.73 54.69 1yud s ARG 23 Cb -0.02 0.05 -0.04 0.00 0.00 0.00 0.00 34.95 34.95 1yud s ARG 23 CO 0.04 -0.03 1.66 -1.12 0.00 0.00 0.00 175.30 175.86 1yud s SER 24 N 1.34 6.42 -0.00 -2.12 0.01 -1.26 -1.43 113.70 116.65 1yud s SER 24 Ca -0.06 1.83 -0.01 0.00 1.31 0.00 0.00 55.95 59.02 1yud s SER 24 Cb -0.02 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 1yud s SER 24 CO -0.12 -1.19 0.28 0.77 0.41 0.00 0.00 173.24 173.38 1yud h SER 25 N 10.60 -0.02 -4.84 2.44 4.64 -1.79 -3.48 113.55 121.11 1yud h SER 25 Ca -0.36 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 60.77 1yud h SER 25 Cb 1.17 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 1yud h SER 25 CO 0.98 0.01 -0.69 -0.31 -0.87 0.00 0.00 176.83 175.96 1yud s TYR 26 N -1.60 0.80 -0.09 4.77 1.51 -1.21 -5.02 117.35 116.51 1yud s TYR 26 Ca -0.00 -0.99 -0.03 0.00 -1.01 0.00 0.00 57.07 55.04 1yud s TYR 26 Cb 0.00 -0.49 0.05 0.00 -0.11 0.00 0.00 41.96 41.41 1yud s TYR 26 CO 0.01 -0.25 0.12 0.50 -1.11 0.00 0.00 175.55 174.82 1yud s ARG 27 N -3.88 0.01 0.03 -0.62 3.52 -1.26 -0.28 118.95 116.46 1yud s ARG 27 Ca 0.12 0.34 -0.03 0.00 -0.13 0.00 0.00 55.73 56.03 1yud s ARG 27 Cb 0.06 -0.73 -0.02 0.00 -1.56 0.00 0.00 34.95 32.70 1yud s ARG 27 CO -0.05 -0.41 0.06 0.45 -0.81 0.00 0.00 175.30 174.53 1yud n SER 28 N 5.31 -0.17 -0.06 -2.12 2.88 -0.15 -4.89 113.62 114.41 1yud n SER 28 Ca -0.04 0.13 0.12 0.00 -1.33 0.00 0.00 58.87 57.75 1yud n SER 28 Cb 0.50 -0.11 0.31 0.00 -0.75 0.00 0.00 64.21 64.16 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 0.12 0.21 -4.44 -1.46 -0.58 -1.26 -4.80 120.64 108.44 1yud n GLU 29 Ca 0.02 -0.12 -0.24 0.00 -0.42 0.00 0.00 57.16 56.40 1yud n GLU 29 Cb 0.03 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.31 1yud n GLU 29 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1yud s THR 30 N -2.87 2.59 0.12 2.62 2.01 -1.26 -5.05 115.64 113.80 1yud s THR 30 Ca 0.15 -2.20 -0.07 0.00 0.31 0.00 0.00 61.69 59.88 1yud s THR 30 Cb 0.18 -2.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1yud s THR 30 CO 0.64 -0.31 0.18 0.00 -0.69 0.00 0.00 174.62 174.44 1yud s ALA 31 N -2.51 0.15 1.00 7.40 0.00 -1.26 -0.57 121.76 125.98 1yud s ALA 31 Ca 0.32 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1yud s ALA 31 Cb -0.02 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.79 1yud s ALA 31 CO 0.17 -0.55 0.00 1.19 0.00 0.00 0.00 175.76 176.57 1yud n PHE 32 N -0.11 -0.16 -2.08 0.00 3.72 -1.26 -4.75 117.46 112.82 1yud n PHE 32 Ca -0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 1yud n PHE 32 Cb 0.63 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.14 1yud n PHE 32 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1yud s ASP 33 N -1.49 6.73 0.00 4.37 -1.08 -1.26 -4.58 116.67 119.37 1yud s ASP 33 Ca 0.00 2.36 0.00 0.00 -0.52 0.00 0.00 52.55 54.39 1yud s ASP 33 Cb 0.00 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1yud s ASP 33 CO 0.00 -0.76 0.00 -2.65 0.52 0.00 0.00 175.17 172.28 1yud n PRO 34 N 4.74 0.00 0.00 4.34 -0.02 -1.26 -4.38 135.00 138.42 1yud n PRO 34 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1yud n PRO 34 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 1yud n PRO 34 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1yud n SER 35 N 0.00 0.00 -3.78 2.55 7.64 -1.26 -5.12 113.62 113.64 1yud n SER 35 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 1yud n SER 35 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 1yud n SER 35 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1yud s ARG 36 N 0.00 0.84 0.10 1.43 0.52 -1.26 -5.06 118.95 115.52 1yud s ARG 36 Ca 0.00 -0.30 -0.02 0.00 -0.52 0.00 0.00 55.73 54.89 1yud s ARG 36 Cb 0.00 -1.77 -0.02 0.00 0.52 0.00 0.00 34.95 33.68 1yud s ARG 36 CO 0.00 -0.50 -0.08 1.04 0.02 0.00 0.00 175.30 175.79 1yud n GLN 37 N 5.03 0.00 0.03 3.54 3.00 -1.26 -4.18 117.38 123.54 1yud n GLN 37 Ca -0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.80 1yud n GLN 37 Cb 0.48 -0.11 -0.04 0.00 0.00 0.00 0.00 30.24 30.57 1yud n GLN 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1yud h LEU 38 N -0.09 -0.42 -8.21 1.08 5.85 -1.13 2.07 115.31 114.45 1yud h LEU 38 Ca -0.05 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 1yud h LEU 38 Cb 0.15 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1yud h LEU 38 CO 0.03 -0.19 0.04 -1.66 -0.34 0.00 0.00 178.44 176.31 1yud s TRP 39 N -6.14 0.42 -0.30 1.25 1.48 -1.26 -2.75 118.94 111.64 1yud s TRP 39 Ca -0.14 -0.86 -0.14 0.00 -1.06 0.00 0.00 56.10 53.90 1yud s TRP 39 Cb 0.09 0.39 0.16 0.00 -1.16 0.00 0.00 33.47 32.95 1yud s TRP 39 CO 0.67 -1.26 0.94 -1.54 -4.06 0.00 0.00 176.95 171.70 1yud s SER 40 N -3.09 -0.66 0.29 -2.66 1.04 -1.25 -0.98 113.70 106.39 1yud s SER 40 Ca 0.21 0.89 0.04 0.00 0.48 0.00 0.00 55.95 57.57 1yud s SER 40 Cb -0.03 1.75 -0.03 0.00 0.10 0.00 0.00 66.02 67.81 1yud s SER 40 CO 0.13 -0.13 0.44 -0.55 0.98 0.00 0.00 173.24 174.11 1yud s SER 41 N 2.53 6.23 0.29 7.02 0.15 0.61 -3.35 113.70 127.17 1yud s SER 41 Ca -0.03 0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.73 1yud s SER 41 Cb -0.07 -1.78 0.01 0.00 -1.71 0.00 0.00 66.02 62.47 1yud s SER 41 CO -0.18 -0.22 0.43 2.30 1.20 0.00 0.00 173.24 176.77 1yud n ILE 42 N -1.58 0.00 -4.10 6.45 -5.35 -1.01 -2.71 119.36 111.06 1yud n ILE 42 Ca -0.06 -1.38 -0.23 0.00 -0.27 0.00 0.00 62.75 60.81 1yud n ILE 42 Cb 0.57 0.88 -0.02 0.00 -1.74 0.00 0.00 39.64 39.34 1yud n ILE 42 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1yud n TYR 43 N -0.47 -0.15 -3.20 4.28 4.01 -0.51 -2.34 117.16 118.78 1yud n TYR 43 Ca -0.00 -1.98 0.04 0.00 -0.16 0.00 0.00 57.90 55.80 1yud n TYR 43 Cb 0.48 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 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 -2.34 -0.40 0.06 -0.72 2.19 -0.45 -4.27 117.98 112.05 1yud s PHE 44 Ca 0.17 0.51 0.09 0.00 0.33 0.00 0.00 56.93 58.03 1yud s PHE 44 Cb -0.01 0.17 -0.03 0.00 -1.31 0.00 0.00 43.02 41.84 1yud s PHE 44 CO 0.11 -0.21 -0.24 -1.17 1.83 0.00 0.00 175.22 175.54 1yud s LEU 45 N 2.69 2.20 -0.02 6.12 0.20 -0.08 -1.48 118.68 128.31 1yud s LEU 45 Ca -0.02 -0.60 0.06 0.00 0.69 0.00 0.00 54.13 54.26 1yud s LEU 45 Cb -0.07 -1.13 -0.01 0.00 -0.43 0.00 0.00 46.19 44.55 1yud s LEU 45 CO -0.13 0.19 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.18 1yud s LEU 46 N -1.39 2.03 0.31 -0.68 1.02 -1.23 -0.77 118.68 117.97 1yud s LEU 46 Ca 0.10 -0.34 0.07 0.00 0.02 0.00 0.00 54.13 53.98 1yud s LEU 46 Cb -0.10 -0.96 -0.02 0.00 0.02 0.00 0.00 46.19 45.13 1yud s LEU 46 CO 0.03 0.23 0.35 -0.60 0.02 0.00 0.00 176.35 176.37 1yud s ARG 47 N -0.41 2.99 0.42 1.70 3.52 -1.26 -3.15 118.95 122.76 1yud s ARG 47 Ca 0.07 -1.08 0.22 0.00 -0.13 0.00 0.00 55.73 54.81 1yud s ARG 47 Cb -0.07 -2.67 1.21 0.00 -1.56 0.00 0.00 34.95 31.86 1yud s ARG 47 CO -0.01 0.18 1.75 1.15 -0.81 0.00 0.00 175.30 177.57 1yud h THR 48 N 1.16 0.44 -0.44 4.11 2.02 -1.80 0.62 112.91 119.02 1yud h THR 48 Ca -0.47 -0.10 -0.12 0.00 0.77 0.00 0.00 66.41 66.49 1yud h THR 48 Cb 1.25 0.12 -0.07 0.00 -1.74 0.00 0.00 68.15 67.70 1yud h THR 48 CO 0.57 0.05 0.16 0.61 0.37 0.00 0.00 175.52 177.28 1yud n GLY 49 N -1.51 2.82 3.50 2.16 0.00 -1.26 -4.88 105.19 106.02 1yud n GLY 49 Ca 0.27 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.00 1.77 -0.29 1.61 0.41 0.21 -5.04 118.70 115.36 1yud s GLU 50 Ca 0.33 -2.00 -0.17 0.00 -0.41 0.00 0.00 54.97 52.71 1yud s GLU 50 Cb 0.26 -1.01 0.17 0.00 -1.78 0.00 0.00 34.13 31.77 1yud s GLU 50 CO 0.08 -0.20 1.11 0.14 -0.49 0.00 0.00 175.26 175.90 1yud s VAL 51 N -3.16 0.00 -0.80 2.63 -7.23 -1.26 -4.78 120.40 105.79 1yud s VAL 51 Ca 0.33 0.00 -0.25 0.00 -1.81 0.00 0.00 61.98 60.25 1yud s VAL 51 Cb 0.08 -1.00 -0.08 0.00 0.56 0.00 0.00 36.38 35.94 1yud s VAL 51 CO 0.15 0.00 2.16 -0.55 -0.31 0.00 0.00 175.10 176.55 1yud s SER 52 N 1.11 4.60 0.53 4.85 0.15 0.28 -4.54 113.70 120.67 1yud s SER 52 Ca -0.07 -0.18 -0.21 0.00 0.70 0.00 0.00 55.95 56.19 1yud s SER 52 Cb -0.03 -2.55 -0.07 0.00 -1.71 0.00 0.00 66.02 61.66 1yud s SER 52 CO -0.13 -3.18 1.00 1.41 1.20 0.00 0.00 173.24 173.55 1yud n HIS 53 N 15.90 1.05 -1.51 3.44 8.25 0.36 -1.76 115.22 140.95 1yud n HIS 53 Ca 0.41 0.48 -0.49 0.00 -0.26 0.00 0.00 57.72 57.86 1yud n HIS 53 Cb 0.46 -2.19 -0.04 0.00 1.12 0.00 0.00 29.99 29.35 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 -1.17 0.58 -3.69 4.41 3.01 0.10 -4.78 117.46 115.92 1yud n PHE 54 Ca 0.11 0.83 -0.07 0.00 1.01 0.00 0.00 57.45 59.34 1yud n PHE 54 Cb 0.44 -2.14 -0.02 0.00 -0.01 0.00 0.00 39.48 37.76 1yud n PHE 54 CO 0.00 0.00 0.00 -3.38 1.01 0.00 0.00 176.76 174.39 1yud s HIS 55 N -0.65 -0.25 0.02 1.38 -3.43 -0.69 -3.37 115.29 108.30 1yud s HIS 55 Ca 0.69 -0.06 0.01 0.00 -0.80 0.00 0.00 55.06 54.90 1yud s HIS 55 Cb -0.90 0.63 -0.01 0.00 -1.43 0.00 0.00 32.58 30.87 1yud s HIS 55 CO 0.56 -0.90 -0.04 0.50 -2.00 0.00 0.00 174.74 172.86 1yud s ARG 56 N -3.51 0.32 0.04 -0.38 3.52 0.71 -1.88 118.95 117.76 1yud s ARG 56 Ca 0.09 -0.42 0.04 0.00 -0.13 0.00 0.00 55.73 55.31 1yud s ARG 56 Cb -0.03 -0.13 -0.02 0.00 -1.56 0.00 0.00 34.95 33.22 1yud s ARG 56 CO -0.01 0.02 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.88 1yud s LEU 57 N -0.87 2.18 -0.24 -0.88 1.02 -1.26 -1.40 118.68 117.24 1yud s LEU 57 Ca -0.07 -0.44 0.03 0.00 0.02 0.00 0.00 54.13 53.67 1yud s LEU 57 Cb -0.06 -0.42 0.39 0.00 0.02 0.00 0.00 46.19 46.13 1yud s LEU 57 CO -0.00 -0.04 1.47 0.35 0.02 0.00 0.00 176.35 178.15 1yud n THR 58 N 1.87 2.15 -3.94 5.49 -2.24 -1.21 -1.28 114.28 115.11 1yud n THR 58 Ca -0.19 -1.04 -0.10 0.00 -2.27 0.00 0.00 64.05 60.45 1yud n THR 58 Cb 0.55 -0.65 -0.11 0.00 -2.10 0.00 0.00 70.33 68.02 1yud n THR 58 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yud s ALA 59 N -1.89 0.02 0.99 6.98 0.00 -1.26 -4.73 121.76 121.87 1yud s ALA 59 Ca 0.32 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 1yud s ALA 59 Cb 0.27 0.10 0.19 0.00 0.00 0.00 0.00 23.12 23.68 1yud s ALA 59 CO 0.07 -0.14 1.08 -0.51 0.00 0.00 0.00 175.76 176.26 1yud s ASP 60 N -1.15 2.48 0.15 0.00 -0.00 -1.26 -4.18 116.67 112.70 1yud s ASP 60 Ca -0.13 1.64 -0.03 0.00 -0.00 0.00 0.00 52.55 54.04 1yud s ASP 60 Cb -0.08 -2.29 0.01 0.00 -0.00 0.00 0.00 42.92 40.57 1yud s ASP 60 CO -0.00 -3.29 0.24 1.21 -0.00 0.00 0.00 175.17 173.33 1yud n GLU 61 N -4.32 0.35 -3.59 8.23 2.13 -1.02 -2.24 120.64 120.18 1yud n GLU 61 Ca 0.07 -1.04 -0.11 0.00 0.66 0.00 0.00 57.16 56.73 1yud n GLU 61 Cb 0.54 1.10 -0.06 0.00 0.27 0.00 0.00 31.44 33.29 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 -4.97 -0.48 -0.09 4.31 0.52 -0.73 -2.37 118.94 115.13 1yud s TRP 63 Ca 0.10 0.98 -0.02 0.00 0.02 0.00 0.00 56.10 57.18 1yud s TRP 63 Cb -0.01 0.40 0.04 0.00 -1.15 0.00 0.00 33.47 32.75 1yud s TRP 63 CO 0.07 -0.34 0.03 0.71 0.02 0.00 0.00 176.95 177.44 1yud s TYR 64 N -0.53 0.54 -0.25 -1.98 2.02 -0.49 -2.98 117.35 113.68 1yud s TYR 64 Ca -0.01 -0.18 -0.29 0.00 -0.37 0.00 0.00 57.07 56.22 1yud s TYR 64 Cb -0.02 -0.75 -0.01 0.00 -0.40 0.00 0.00 41.96 40.78 1yud s TYR 64 CO -0.00 -0.35 1.37 0.12 -1.57 0.00 0.00 175.55 175.11 1yud s PHE 65 N 2.02 2.58 -0.18 2.71 5.36 -0.78 -0.46 117.98 129.23 1yud s PHE 65 Ca 0.04 0.81 -0.14 0.00 -0.96 0.00 0.00 56.93 56.68 1yud s PHE 65 Cb -0.13 -3.84 -0.22 0.00 -0.34 0.00 0.00 43.02 38.49 1yud s PHE 65 CO -0.05 -2.02 0.22 0.72 -1.46 0.00 0.00 175.22 172.63 1yud n HIS 66 N 7.57 1.01 -3.64 10.12 8.25 -0.05 -4.96 115.22 133.53 1yud n HIS 66 Ca 0.15 0.32 -0.00 0.00 -0.26 0.00 0.00 57.72 57.93 1yud n HIS 66 Cb 0.46 -1.12 -0.01 0.00 1.12 0.00 0.00 29.99 30.44 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 -2.46 -2.09 0.00 -1.41 0.00 -0.27 -4.97 121.76 110.56 1yud s ALA 67 Ca -0.27 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1yud s ALA 67 Cb 0.07 0.38 0.00 0.00 0.00 0.00 0.00 23.12 23.57 1yud s ALA 67 CO 0.66 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1yud n GLY 68 N -0.44 0.98 3.87 0.00 0.00 -1.26 -0.64 105.19 107.70 1yud n GLY 68 Ca -0.07 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 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 3.54 0.32 1.61 1.11 0.12 -4.97 119.66 121.40 1yud s GLN 69 Ca 0.00 -0.02 -0.29 0.00 0.01 0.00 0.00 55.36 55.06 1yud s GLN 69 Cb 0.00 -3.19 -0.10 0.00 -1.01 0.00 0.00 33.01 28.71 1yud s GLN 69 CO 0.00 0.75 1.34 -1.54 0.01 0.00 0.00 175.29 175.85 1yud s SER 70 N -1.11 6.72 0.71 5.90 1.04 -1.26 -4.67 113.70 121.03 1yud s SER 70 Ca 0.18 2.72 0.01 0.00 0.48 0.00 0.00 55.95 59.33 1yud s SER 70 Cb -0.13 -2.65 0.13 0.00 0.10 0.00 0.00 66.02 63.47 1yud s SER 70 CO 0.07 -0.58 0.98 -0.76 0.98 0.00 0.00 173.24 173.93 1yud s LEU 71 N -1.65 2.97 -0.17 2.42 1.43 -0.68 -0.74 118.68 122.26 1yud s LEU 71 Ca 0.50 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1yud s LEU 71 Cb -0.41 -1.81 0.07 0.00 0.03 0.00 0.00 46.19 44.07 1yud s LEU 71 CO 0.53 -1.85 0.13 -0.89 0.23 0.00 0.00 176.35 174.50 1yud s THR 72 N -3.10 -0.17 -0.52 5.49 2.01 0.64 -2.64 115.64 117.35 1yud s THR 72 Ca 0.66 -0.09 -0.20 0.00 0.31 0.00 0.00 61.69 62.38 1yud s THR 72 Cb -0.05 -0.56 0.06 0.00 0.01 0.00 0.00 72.50 71.96 1yud s THR 72 CO 0.44 -0.21 0.70 -0.63 -0.69 0.00 0.00 174.62 174.23 1yud s ILE 73 N 2.21 4.77 0.59 1.82 1.01 -1.22 -2.30 121.20 128.07 1yud s ILE 73 Ca 0.04 -0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.22 1yud s ILE 73 Cb -0.15 -4.37 0.13 0.00 0.01 0.00 0.00 42.46 38.08 1yud s ILE 73 CO -0.09 -0.90 0.80 -1.22 0.00 0.00 0.00 174.94 173.53 1yud n TYR 74 N 6.46 -3.84 -3.15 3.97 4.02 -0.41 -1.23 117.16 122.98 1yud n TYR 74 Ca -0.05 -0.81 0.04 0.00 -0.01 0.00 0.00 57.90 57.08 1yud n TYR 74 Cb 0.46 -0.62 -0.00 0.00 -0.02 0.00 0.00 39.34 39.16 1yud n TYR 74 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1yud s ILE 76 N -2.67 -0.79 0.87 -0.72 1.01 -0.12 -1.86 121.20 116.92 1yud s ILE 76 Ca 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 60.65 60.97 1yud s ILE 76 Cb -0.01 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 1yud s ILE 76 CO 0.32 0.00 0.25 -1.54 0.00 0.00 0.00 174.94 173.98 1yud n SER 77 N 5.35 -2.43 -0.22 3.58 3.41 0.26 -3.31 113.62 120.27 1yud n SER 77 Ca 0.04 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1yud n SER 77 Cb 0.54 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.36 1yud n SER 77 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1yud n PRO 78 N -0.71 0.49 -0.05 4.33 -0.04 -1.26 -1.71 135.00 136.06 1yud n PRO 78 Ca 0.06 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1yud n PRO 78 Cb 0.53 -1.11 -0.04 0.00 -0.04 0.00 0.00 33.50 32.84 1yud n PRO 78 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1yud n GLU 79 N -0.16 0.22 0.00 0.54 4.07 -1.26 -5.04 120.64 119.00 1yud n GLU 79 Ca 0.00 0.08 0.00 0.00 -0.06 0.00 0.00 57.16 57.18 1yud n GLU 79 Cb 0.05 -0.98 0.00 0.00 -0.06 0.00 0.00 31.44 30.46 1yud n GLU 79 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yud n GLY 80 N 2.61 -0.92 3.77 8.31 0.00 -0.69 -5.02 105.19 113.25 1yud n GLY 80 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 4.67 -0.87 1.61 2.12 -1.26 -4.77 118.70 120.20 1yud s GLU 81 Ca 0.00 1.28 -0.15 0.00 0.36 0.00 0.00 54.97 56.46 1yud s GLU 81 Cb 0.00 -3.27 0.20 0.00 0.26 0.00 0.00 34.13 31.32 1yud s GLU 81 CO 0.00 0.55 0.88 -1.17 -0.54 0.00 0.00 175.26 174.99 1yud s LEU 82 N -1.15 6.29 0.15 2.70 2.96 -1.26 -0.58 118.68 127.79 1yud s LEU 82 Ca 0.38 -2.57 -0.21 0.00 -0.22 0.00 0.00 54.13 51.51 1yud s LEU 82 Cb -0.24 -2.26 -0.08 0.00 0.50 0.00 0.00 46.19 44.11 1yud s LEU 82 CO 0.28 -0.69 0.67 0.42 -1.32 0.00 0.00 176.35 175.72 1yud s THR 83 N 0.75 4.60 -0.13 3.68 -4.23 -1.26 -4.98 115.64 114.07 1yud s THR 83 Ca 0.23 1.33 -0.04 0.00 -1.18 0.00 0.00 61.69 62.03 1yud s THR 83 Cb -0.09 -3.94 0.05 0.00 1.34 0.00 0.00 72.50 69.87 1yud s THR 83 CO -0.09 0.42 0.09 0.42 -0.54 0.00 0.00 174.62 174.92 1yud s THR 84 N -1.27 -0.12 0.31 3.99 -4.23 -1.26 -4.59 115.64 108.47 1yud s THR 84 Ca 0.36 0.04 -0.05 0.00 -1.18 0.00 0.00 61.69 60.85 1yud s THR 84 Cb -0.19 -0.44 0.07 0.00 1.34 0.00 0.00 72.50 73.28 1yud s THR 84 CO 0.22 -0.12 0.42 0.00 -0.54 0.00 0.00 174.62 174.59 1yud n ALA 85 N 5.29 -0.47 -3.69 3.99 0.00 -0.37 -4.92 120.51 120.34 1yud n ALA 85 Ca -0.06 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.72 1yud n ALA 85 Cb 0.49 -0.02 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 1yud n ALA 85 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1yud s GLN 86 N -3.90 0.28 -0.15 0.00 -1.52 -1.26 -3.43 119.66 109.69 1yud s GLN 86 Ca 0.24 0.75 0.02 0.00 -1.95 0.00 0.00 55.36 54.41 1yud s GLN 86 Cb -0.01 0.00 0.01 0.00 -0.22 0.00 0.00 33.01 32.80 1yud s GLN 86 CO 0.17 -0.20 -0.20 -1.17 -0.25 0.00 0.00 175.29 173.64 1yud s LEU 87 N 1.73 2.05 0.00 2.90 2.96 -1.08 -3.27 118.68 123.98 1yud s LEU 87 Ca -0.06 -0.59 0.00 0.00 -0.22 0.00 0.00 54.13 53.25 1yud s LEU 87 Cb -0.10 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.18 1yud s LEU 87 CO -0.11 0.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.58 1yud n GLY 88 N 4.27 -0.59 0.00 7.98 0.00 0.62 -1.69 105.19 115.79 1yud n GLY 88 Ca -0.20 -0.74 0.05 0.00 0.00 0.00 0.00 46.02 45.13 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 0.01 -4.56 0.99 4.77 -1.26 -3.14 117.00 113.82 1yud n LEU 89 Ca 0.00 -0.01 -0.26 0.00 -0.03 0.00 0.00 56.01 55.71 1yud n LEU 89 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1yud n LEU 89 CO 0.00 0.00 1.36 -0.62 -1.33 0.00 0.00 177.39 176.80 1yud s ASP 90 N -3.14 4.97 0.23 -1.43 3.68 -1.26 -4.74 116.67 114.98 1yud s ASP 90 Ca -0.04 -0.47 0.21 0.00 2.13 0.00 0.00 52.55 54.39 1yud s ASP 90 Cb 0.07 -2.56 0.94 0.00 -1.45 0.00 0.00 42.92 39.92 1yud s ASP 90 CO 0.42 -2.87 1.65 0.18 0.13 0.00 0.00 175.17 174.68 1yud n LEU 91 N 14.55 0.55 -0.08 -1.34 4.77 -1.26 -2.11 117.00 132.09 1yud n LEU 91 Ca 0.39 0.66 -0.14 0.00 -0.03 0.00 0.00 56.01 56.89 1yud n LEU 91 Cb 0.47 -0.61 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 1yud n LEU 91 CO 0.60 -0.60 -0.05 0.00 -1.33 0.00 0.00 177.39 176.01 1yud h ALA 92 N 2.23 0.10 0.00 -1.18 0.00 -1.85 -3.34 119.26 115.22 1yud h ALA 92 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1yud h ALA 92 Cb 0.27 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1yud h ALA 92 CO 0.00 0.30 0.11 0.00 0.00 0.00 0.00 179.25 179.66 1yud n ALA 93 N -3.02 0.89 0.00 0.00 0.00 -1.18 -4.75 120.51 112.45 1yud n ALA 93 Ca -0.16 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1yud n ALA 93 Cb 0.48 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.29 1.51 3.76 0.00 0.00 -1.22 -5.09 105.19 102.87 1yud n GLY 94 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1yud n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yud n GLU 95 N -0.53 1.92 -4.45 1.61 1.02 -0.90 -4.88 120.64 114.44 1yud n GLU 95 Ca 0.00 0.70 -0.22 0.00 -0.02 0.00 0.00 57.16 57.62 1yud n GLU 95 Cb 0.00 -2.61 -0.10 0.00 -0.02 0.00 0.00 31.44 28.70 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 -2.74 1.59 0.09 3.49 6.06 -1.20 -4.09 118.95 122.15 1yud s ARG 96 Ca 0.68 -1.81 -0.04 0.00 -2.50 0.00 0.00 55.73 52.05 1yud s ARG 96 Cb -0.43 -1.23 -0.24 0.00 0.06 0.00 0.00 34.95 33.11 1yud s ARG 96 CO 0.52 0.05 1.17 -1.35 -2.50 0.00 0.00 175.30 173.19 1yud h PRO 97 N 2.23 0.30 0.00 5.12 0.11 -1.88 0.18 132.00 138.06 1yud h PRO 97 Ca -0.40 -0.46 0.00 0.00 0.11 0.00 0.00 66.00 65.25 1yud h PRO 97 Cb 1.24 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.51 1yud h PRO 97 CO 0.68 1.20 0.00 1.04 -0.21 0.00 0.00 178.00 180.70 1yud n GLN 98 N -3.58 2.87 0.00 1.05 6.02 -1.26 -1.87 117.38 120.62 1yud n GLN 98 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1yud n GLN 98 Cb 0.99 0.00 0.00 0.00 1.02 0.00 0.00 30.24 32.25 1yud n GLN 98 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1yud n PHE 99 N -0.06 0.00 -4.08 1.08 7.35 -1.16 -4.90 117.46 115.69 1yud n PHE 99 Ca 0.00 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.50 1yud n PHE 99 Cb 0.00 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 39.67 1yud n PHE 99 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1yud s LEU 100 N 0.00 1.25 -0.37 -2.13 0.20 -1.26 -1.77 118.68 114.60 1yud s LEU 100 Ca 0.00 -0.10 -0.06 0.00 0.69 0.00 0.00 54.13 54.66 1yud s LEU 100 Cb 0.00 -0.39 0.06 0.00 -0.43 0.00 0.00 46.19 45.43 1yud s LEU 100 CO 0.00 -0.07 0.16 0.68 -0.29 0.00 0.00 176.35 176.82 1yud s VAL 101 N 0.99 3.78 0.70 1.68 -7.23 -1.00 -4.96 120.40 114.36 1yud s VAL 101 Ca -0.10 -1.36 -0.16 0.00 -1.81 0.00 0.00 61.98 58.54 1yud s VAL 101 Cb -0.14 -3.26 -0.02 0.00 0.56 0.00 0.00 36.38 33.52 1yud s VAL 101 CO -0.01 -0.35 0.78 -0.81 -0.31 0.00 0.00 175.10 174.40 1yud n PRO 102 N 4.80 0.47 -0.88 4.82 -0.04 -1.26 -2.43 135.00 140.48 1yud n PRO 102 Ca -0.10 0.21 -0.29 0.00 -0.04 0.00 0.00 63.50 63.27 1yud n PRO 102 Cb 0.44 -2.04 0.19 0.00 -0.04 0.00 0.00 33.50 32.04 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 -2.97 0.39 0.00 0.54 -2.85 -1.26 -2.90 119.74 110.69 1yud s LYS 103 Ca 0.70 0.95 0.00 0.00 -1.00 0.00 0.00 55.97 56.62 1yud s LYS 103 Cb -0.36 -1.70 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 1yud s LYS 103 CO 0.53 -2.87 0.00 0.41 0.10 0.00 0.00 175.35 173.52 1yud n GLY 104 N -0.21 1.53 3.65 0.59 0.00 -0.40 -4.93 105.19 105.42 1yud n GLY 104 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.72 1.34 0.40 0.00 1.01 -1.21 -4.17 121.20 115.86 1yud s ILE 106 Ca 0.66 -1.49 0.07 0.00 0.00 0.00 0.00 60.65 59.89 1yud s ILE 106 Cb -0.21 -1.88 -0.08 0.00 0.01 0.00 0.00 42.46 40.31 1yud s ILE 106 CO 0.59 -0.46 0.02 0.72 0.00 0.00 0.00 174.94 175.81 1yud s PHE 107 N 1.42 2.52 0.15 3.97 -0.71 -0.79 -0.95 117.98 123.59 1yud s PHE 107 Ca 0.05 -0.65 -0.17 0.00 -1.04 0.00 0.00 56.93 55.12 1yud s PHE 107 Cb -0.18 -1.76 0.04 0.00 -1.21 0.00 0.00 43.02 39.91 1yud s PHE 107 CO -0.15 0.44 0.46 0.20 -1.34 0.00 0.00 175.22 174.84 1yud s GLY 108 N -3.72 -0.26 0.00 1.99 0.00 -0.78 -1.70 107.32 102.85 1yud s GLY 108 Ca 0.35 -0.03 0.01 0.00 0.00 0.00 0.00 44.72 45.05 1yud s GLY 108 CO 0.18 -0.24 -0.05 -0.45 0.00 0.00 0.00 173.10 172.55 1yud s SER 109 N -2.82 0.55 0.00 1.64 0.15 -0.72 -1.29 113.70 111.21 1yud s SER 109 Ca 0.05 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1yud s SER 109 Cb 0.01 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1yud s SER 109 CO -0.09 0.00 0.00 0.00 1.20 0.00 0.00 173.24 174.35 1yud n ALA 110 N 2.70 0.00 -0.87 5.45 0.00 -0.97 -0.56 120.51 126.26 1yud n ALA 110 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1yud n ALA 110 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 0.21 -3.56 0.00 5.03 0.08 -0.26 115.26 116.76 1yud n ASN 112 Ca 0.00 -1.08 -0.09 0.00 0.87 0.00 0.00 54.58 54.28 1yud n ASN 112 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 1yud n ASN 112 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1yud s GLN 113 N -0.08 0.62 0.50 3.52 -0.21 -1.26 -5.01 119.66 117.74 1yud s GLN 113 Ca 0.00 0.01 -0.22 0.00 0.02 0.00 0.00 55.36 55.17 1yud s GLN 113 Cb 0.00 0.29 -0.06 0.00 1.00 0.00 0.00 33.01 34.24 1yud s GLN 113 CO 0.00 -0.22 1.21 -0.51 -2.12 0.00 0.00 175.29 173.65 1yud s ASP 114 N -1.54 5.83 0.00 5.90 1.01 -1.26 -4.80 116.67 121.81 1yud s ASP 114 Ca 0.01 2.40 0.00 0.00 0.71 0.00 0.00 52.55 55.67 1yud s ASP 114 Cb -0.01 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.32 1yud s ASP 114 CO -0.02 -1.16 0.00 0.61 0.21 0.00 0.00 175.17 174.82 1yud n GLY 115 N 0.48 0.55 3.77 0.21 0.00 -1.26 -4.99 105.19 103.94 1yud n GLY 115 Ca 0.09 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.18 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 -3.16 1.85 -0.33 1.61 -0.71 -1.26 -2.01 117.98 113.96 1yud s PHE 116 Ca 0.00 -0.96 -0.01 0.00 -1.04 0.00 0.00 56.93 54.92 1yud s PHE 116 Cb 0.00 -1.61 0.19 0.00 -1.21 0.00 0.00 43.02 40.39 1yud s PHE 116 CO 0.00 0.22 0.81 0.45 -1.34 0.00 0.00 175.22 175.36 1yud s SER 117 N -3.89 -1.03 0.12 1.98 0.15 -1.19 -0.70 113.70 109.15 1yud s SER 117 Ca 0.05 -0.16 -0.25 0.00 0.70 0.00 0.00 55.95 56.29 1yud s SER 117 Cb 0.01 1.49 -0.07 0.00 -1.71 0.00 0.00 66.02 65.75 1yud s SER 117 CO 0.03 -0.16 0.78 -0.22 1.20 0.00 0.00 173.24 174.87 1yud s LEU 118 N 2.44 4.54 0.14 3.45 2.96 0.19 -3.50 118.68 128.90 1yud s LEU 118 Ca 0.17 1.58 -0.12 0.00 -0.22 0.00 0.00 54.13 55.55 1yud s LEU 118 Cb -0.04 -3.28 0.01 0.00 0.50 0.00 0.00 46.19 43.38 1yud s LEU 118 CO -0.18 0.13 0.33 -0.69 -1.32 0.00 0.00 176.35 174.62 1yud s VAL 119 N -0.73 0.08 0.17 1.68 1.01 -0.55 -0.87 120.40 121.19 1yud s VAL 119 Ca 0.37 -1.05 0.10 0.00 0.00 0.00 0.00 61.98 61.40 1yud s VAL 119 Cb -0.22 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1yud s VAL 119 CO 0.25 -0.35 -0.19 -0.83 0.00 0.00 0.00 175.10 173.98 1yud s GLY 120 N -2.89 1.70 0.10 4.51 0.00 0.40 -1.34 107.32 109.79 1yud s GLY 120 Ca 0.10 -1.52 0.01 0.00 0.00 0.00 0.00 44.72 43.31 1yud s GLY 120 CO -0.06 -1.54 0.05 0.00 0.00 0.00 0.00 173.10 171.56 1yud s VAL 123 N -2.08 -0.42 0.00 0.00 -7.23 -1.21 -2.40 120.40 107.05 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 -0.80 0.00 0.00 0.56 0.00 0.00 36.38 36.14 1yud s VAL 123 CO 0.05 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.60 1yud n SER 124 N 5.37 0.00 -4.62 4.85 2.88 -0.95 -3.90 113.62 117.26 1yud n SER 124 Ca -0.01 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.20 1yud n SER 124 Cb 0.55 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 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 -2.01 2.63 -0.69 -1.46 0.02 -1.25 -4.20 135.00 128.04 1yud s PRO 125 Ca 0.00 -0.68 -0.14 0.00 0.02 0.00 0.00 61.00 60.20 1yud s PRO 125 Cb 0.00 -2.55 -0.19 0.00 0.02 0.00 0.00 34.50 31.78 1yud s PRO 125 CO 0.00 0.61 1.69 0.41 -0.33 0.00 0.00 177.00 179.38 1yud n GLY 126 N 1.59 -0.34 3.43 0.52 0.00 0.70 -4.68 105.19 106.41 1yud n GLY 126 Ca -0.15 0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 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 5.66 -0.59 -3.72 1.61 7.35 -1.26 -4.34 117.46 122.17 1yud n PHE 127 Ca 0.46 0.68 -0.10 0.00 -0.76 0.00 0.00 57.45 57.72 1yud n PHE 127 Cb 0.06 -1.98 -0.06 0.00 0.35 0.00 0.00 39.48 37.85 1yud n PHE 127 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yud s THR 128 N -1.39 0.09 -2.00 -2.13 -4.23 -1.26 -4.98 115.64 99.74 1yud s THR 128 Ca 0.62 -0.74 0.28 0.00 -1.18 0.00 0.00 61.69 60.67 1yud s THR 128 Cb -0.67 -1.14 0.79 0.00 1.34 0.00 0.00 72.50 72.82 1yud s THR 128 CO 0.59 -0.41 2.00 0.49 -0.54 0.00 0.00 174.62 176.75 1yud n PHE 129 N 0.07 0.00 0.00 3.99 3.72 -1.26 -2.01 117.46 121.97 1yud n PHE 129 Ca -0.17 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.05 1yud n PHE 129 Cb 0.62 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.07 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 0.94 -0.26 4.37 3.32 -2.01 -2.95 116.42 119.84 1yud h ASP 130 Ca 0.00 -0.68 0.00 0.00 0.02 0.00 0.00 57.03 56.37 1yud h ASP 130 Cb 0.00 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.27 1yud h ASP 130 CO 0.00 1.48 0.00 -0.67 -1.72 0.00 0.00 179.24 178.33 1yud n ASP 131 N -3.90 3.02 -4.56 6.45 -0.08 -0.85 -4.87 116.55 111.75 1yud n ASP 131 Ca -0.09 -2.39 -0.25 0.00 -1.51 0.00 0.00 54.79 50.55 1yud n ASP 131 Cb 0.81 -0.56 -0.09 0.00 2.34 0.00 0.00 41.12 43.61 1yud n ASP 131 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1yud s PHE 132 N -1.76 2.57 -0.28 -0.67 5.36 -1.11 -3.35 117.98 118.73 1yud s PHE 132 Ca 0.24 -0.25 -0.17 0.00 -0.96 0.00 0.00 56.93 55.79 1yud s PHE 132 Cb 0.18 -1.21 0.08 0.00 -0.34 0.00 0.00 43.02 41.73 1yud s PHE 132 CO 0.07 0.57 0.69 -2.00 -1.46 0.00 0.00 175.22 173.09 1yud s GLU 133 N -3.13 0.72 -0.16 10.12 2.12 -0.49 -4.97 118.70 122.90 1yud s GLU 133 Ca 0.27 1.20 -0.01 0.00 0.36 0.00 0.00 54.97 56.79 1yud s GLU 133 Cb -0.08 0.16 0.04 0.00 0.26 0.00 0.00 34.13 34.52 1yud s GLU 133 CO 0.16 -0.15 -0.05 -1.17 -0.54 0.00 0.00 175.26 173.52 1yud s LEU 134 N 1.51 1.53 0.16 2.70 2.96 -1.26 -0.20 118.68 126.08 1yud s LEU 134 Ca -0.09 -0.63 0.01 0.00 -0.22 0.00 0.00 54.13 53.20 1yud s LEU 134 Cb -0.05 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 1yud s LEU 134 CO -0.18 -0.19 0.32 -0.36 -1.32 0.00 0.00 176.35 174.63 1yud s PHE 135 N 1.66 3.49 0.32 5.38 0.40 -1.22 -5.03 117.98 122.99 1yud s PHE 135 Ca 0.01 0.24 0.07 0.00 -0.60 0.00 0.00 56.93 56.65 1yud s PHE 135 Cb -0.15 -1.77 -0.02 0.00 0.51 0.00 0.00 43.02 41.60 1yud s PHE 135 CO -0.08 0.46 0.41 -1.54 0.70 0.00 0.00 175.22 175.17 1yud s SER 136 N -3.10 5.81 0.30 1.36 1.04 -1.26 -4.68 113.70 113.17 1yud s SER 136 Ca 0.36 -0.25 0.04 0.00 0.48 0.00 0.00 55.95 56.59 1yud s SER 136 Cb -0.11 -1.22 0.77 0.00 0.10 0.00 0.00 66.02 65.55 1yud s SER 136 CO 0.29 -0.37 1.65 -0.61 0.98 0.00 0.00 173.24 175.17 1yud h GLN 137 N 1.02 0.21 0.00 4.02 4.15 -1.82 -2.99 115.11 119.70 1yud h GLN 137 Ca -0.46 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1yud h GLN 137 Cb 1.25 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1yud h GLN 137 CO 0.55 0.14 0.00 0.39 -1.93 0.00 0.00 178.83 177.98 1yud n GLU 138 N -5.21 0.00 0.21 1.69 4.71 -1.26 -2.67 120.64 118.11 1yud n GLU 138 Ca 0.23 0.17 0.18 0.00 -0.01 0.00 0.00 57.16 57.74 1yud n GLU 138 Cb 0.73 -0.76 0.82 0.00 -1.01 0.00 0.00 31.44 31.23 1yud n GLU 138 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1yud h ALA 139 N -2.32 1.74 0.00 0.62 0.00 -1.99 0.12 119.26 117.43 1yud h ALA 139 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yud h ALA 139 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1yud h ALA 139 CO 0.00 -0.41 0.00 1.28 0.00 0.00 0.00 179.25 180.12 1yud n LEU 140 N -3.50 0.14 -0.08 0.00 4.77 -1.13 -2.57 117.00 114.62 1yud n LEU 140 Ca 0.02 0.53 -0.17 0.00 -0.03 0.00 0.00 56.01 56.37 1yud n LEU 140 Cb 0.42 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 1yud n LEU 140 CO 0.24 -0.28 -1.11 -0.11 -1.33 0.00 0.00 177.39 174.79 1yud n LEU 141 N -1.65 2.20 -0.02 2.23 7.94 0.40 -4.45 117.00 123.66 1yud n LEU 141 Ca 0.04 0.02 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1yud n LEU 141 Cb 0.20 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.53 1yud n LEU 141 CO 0.16 0.80 0.00 0.00 -1.11 0.00 0.00 177.39 177.24 1yud n ALA 142 N -3.05 1.11 -1.95 1.96 0.00 -1.06 -2.94 120.51 114.58 1yud n ALA 142 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1yud n ALA 142 Cb 1.04 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.35 0.00 0.11 0.00 4.01 -1.26 -5.00 117.16 114.67 1yud n TYR 144 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 1yud n TYR 144 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.90 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 1.41 0.39 -0.98 -0.72 0.11 -1.79 -3.32 132.00 127.10 1yud h PRO 145 Ca 0.00 -0.61 0.17 0.00 0.11 0.00 0.00 66.00 65.67 1yud h PRO 145 Cb 0.00 0.22 -0.10 0.00 0.11 0.00 0.00 31.00 31.23 1yud h PRO 145 CO 0.00 1.28 0.58 -0.56 -0.21 0.00 0.00 178.00 179.09 1yud h GLN 146 N 0.13 0.74 -3.43 1.05 -0.00 -1.94 -2.97 115.11 108.69 1yud h GLN 146 Ca -0.16 -0.04 -0.79 0.00 -0.00 0.00 0.00 58.65 57.65 1yud h GLN 146 Cb 1.96 -0.17 -0.25 0.00 -0.00 0.00 0.00 27.48 29.03 1yud h GLN 146 CO 0.22 0.49 0.95 0.72 -0.00 0.00 0.00 178.83 181.21 1yud n HIS 147 N -4.77 3.63 -0.13 0.06 8.25 -1.25 -4.68 115.22 116.33 1yud n HIS 147 Ca 0.22 -3.12 -0.19 0.00 -0.26 0.00 0.00 57.72 54.37 1yud n HIS 147 Cb 0.52 -1.62 -0.12 0.00 1.12 0.00 0.00 29.99 29.90 1yud n HIS 147 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1yud n LYS 148 N 2.66 0.65 -0.23 -0.41 4.81 -1.12 -4.11 118.16 120.40 1yud n LYS 148 Ca 0.29 0.16 0.03 0.00 -0.87 0.00 0.00 58.31 57.92 1yud n LYS 148 Cb 0.37 -1.52 0.12 0.00 0.02 0.00 0.00 35.03 34.02 1yud n LYS 148 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1yud h ALA 149 N -0.08 0.69 0.02 3.14 0.00 -1.88 -2.76 119.26 118.37 1yud h ALA 149 Ca -0.59 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1yud h ALA 149 Cb 1.88 0.35 0.00 0.00 0.00 0.00 0.00 17.79 20.02 1yud h ALA 149 CO -0.11 -0.40 -0.01 -0.24 0.00 0.00 0.00 179.25 178.49 1yud h VAL 150 N 0.12 0.00 -1.00 0.00 3.04 -1.96 -3.28 116.25 113.16 1yud h VAL 150 Ca 0.36 -0.01 0.32 0.00 -1.01 0.00 0.00 66.70 66.36 1yud h VAL 150 Cb 0.60 0.00 -0.07 0.00 -2.01 0.00 0.00 31.29 29.81 1yud h VAL 150 CO -0.58 0.00 0.68 0.52 -1.01 0.00 0.00 177.57 177.18 1yud n VAL 151 N -2.08 -0.10 -0.06 1.51 0.31 -1.14 -0.12 118.33 116.65 1yud n VAL 151 Ca -0.00 1.06 -0.12 0.00 -0.01 0.00 0.00 64.34 65.27 1yud n VAL 151 Cb 0.01 -1.74 -0.06 0.00 -0.91 0.00 0.00 33.84 31.14 1yud n VAL 151 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1yud h GLN 152 N 0.00 0.32 0.00 5.55 4.20 -1.55 -3.04 115.11 120.59 1yud h GLN 152 Ca 0.57 -0.10 -0.10 0.00 0.06 0.00 0.00 58.65 59.07 1yud h GLN 152 Cb 2.00 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.74 1yud h GLN 152 CO -0.19 0.54 -0.52 0.87 -0.67 0.00 0.00 178.83 178.86 1yud h LYS 153 N 0.07 0.00 -0.99 1.46 6.56 -0.66 -3.28 116.57 119.72 1yud h LYS 153 Ca 0.05 0.00 -0.67 0.00 -1.06 0.00 0.00 60.65 58.97 1yud h LYS 153 Cb 0.39 0.00 -0.30 0.00 -0.57 0.00 0.00 32.23 31.76 1yud h LYS 153 CO 0.01 0.45 0.79 1.28 -2.06 0.00 0.00 179.45 179.92 1yud n LEU 154 N -3.19 7.55 -3.79 2.94 4.77 -1.00 -4.93 117.00 119.34 1yud n LEU 154 Ca 0.02 -4.29 -0.00 0.00 -0.03 0.00 0.00 56.01 51.70 1yud n LEU 154 Cb 0.72 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1yud n LEU 154 CO 0.40 1.49 0.94 -0.55 -1.33 0.00 0.00 177.39 178.34 1yud s SER 155 N -1.90 -0.05 -0.02 -1.43 0.15 -1.15 -0.72 113.70 108.58 1yud s SER 155 Ca 0.64 -0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.97 1yud s SER 155 Cb 0.50 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 1yud s SER 155 CO -0.00 -0.60 -0.06 -0.13 1.20 0.00 0.00 173.24 173.65 1yud s ARG 156 N -2.44 0.66 1.22 5.44 0.52 -1.26 -4.88 118.95 118.21 1yud s ARG 156 Ca 0.19 -0.21 -0.20 0.00 -0.52 0.00 0.00 55.73 54.99 1yud s ARG 156 Cb 0.01 -0.65 0.31 0.00 0.52 0.00 0.00 34.95 35.14 1yud s ARG 156 CO 0.00 0.09 0.70 -0.35 0.02 0.00 0.00 175.30 175.76 1yud n PRO 157 N 3.24 -4.13 -0.33 3.54 -0.04 -1.26 -2.76 135.00 133.27 1yud n PRO 157 Ca -0.17 -1.18 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 1yud n PRO 157 Cb 0.55 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1yud n PRO 157 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85