#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kud n THR 2 N 0.00 1.65 -4.32 3.17 -1.04 -1.26 -4.79 114.28 107.68 3kud n THR 2 Ca 0.00 -0.41 -0.35 0.00 -2.04 0.00 0.00 64.05 61.25 3kud n THR 2 Cb 0.00 -1.94 -0.10 0.00 -1.82 0.00 0.00 70.33 66.47 3kud n THR 2 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 3kud s GLU 3 N -1.52 3.25 -0.19 -2.82 2.12 -1.26 -0.86 118.70 117.42 3kud s GLU 3 Ca 0.57 -0.41 -0.01 0.00 0.36 0.00 0.00 54.97 55.49 3kud s GLU 3 Cb -0.49 -2.88 0.01 0.00 0.26 0.00 0.00 34.13 31.03 3kud s GLU 3 CO 0.58 0.57 -0.14 0.71 -0.54 0.00 0.00 175.26 176.44 3kud s TYR 4 N -0.50 2.84 -0.55 5.30 2.02 0.46 -4.92 117.35 121.99 3kud s TYR 4 Ca 0.09 -1.35 -0.19 0.00 -0.37 0.00 0.00 57.07 55.24 3kud s TYR 4 Cb -0.12 -1.98 0.08 0.00 -0.40 0.00 0.00 41.96 39.54 3kud s TYR 4 CO 0.02 -0.69 0.68 0.15 -1.57 0.00 0.00 175.55 174.14 3kud s LYS 5 N 1.31 3.09 -0.10 -0.62 1.02 -1.26 0.23 119.74 123.42 3kud s LYS 5 Ca 0.04 -1.05 -0.04 0.00 0.02 0.00 0.00 55.97 54.95 3kud s LYS 5 Cb -0.14 -4.17 -0.04 0.00 -0.52 0.00 0.00 37.83 32.96 3kud s LYS 5 CO -0.08 -1.39 0.05 -0.51 -0.92 0.00 0.00 175.35 172.49 3kud s LEU 6 N 2.76 3.86 -0.03 3.17 1.43 0.23 -0.95 118.68 129.14 3kud s LEU 6 Ca 0.14 0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.57 3kud s LEU 6 Cb -0.21 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3kud s LEU 6 CO 0.10 0.39 -0.24 -0.69 0.23 0.00 0.00 176.35 176.13 3kud s VAL 7 N -0.92 1.90 -0.24 -1.59 1.01 0.96 -0.06 120.40 121.46 3kud s VAL 7 Ca 0.14 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 3kud s VAL 7 Cb -0.12 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.69 3kud s VAL 7 CO 0.03 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 174.94 3kud s VAL 8 N -0.43 3.17 0.23 2.92 1.01 0.47 -0.23 120.40 127.54 3kud s VAL 8 Ca 0.05 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.29 3kud s VAL 8 Cb -0.10 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.68 3kud s VAL 8 CO 0.00 0.27 -0.05 0.68 0.00 0.00 0.00 175.10 176.01 3kud s VAL 9 N 1.40 1.33 0.00 2.92 -7.23 -0.33 -2.22 120.40 116.26 3kud s VAL 9 Ca 0.03 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.11 3kud s VAL 9 Cb -0.16 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.49 3kud s VAL 9 CO -0.03 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 3kud n GLY 10 N -0.44 3.71 3.14 2.32 0.00 -1.26 -0.91 105.19 111.74 3kud n GLY 10 Ca -0.06 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 3kud n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kud n ALA 11 N -1.76 -4.56 -1.77 4.61 0.00 -1.26 -4.02 120.51 111.75 3kud n ALA 11 Ca 0.00 -0.68 -0.39 0.00 0.00 0.00 0.00 53.44 52.37 3kud n ALA 11 Cb 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 3kud n ALA 11 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kud s GLY 12 N -1.34 2.92 0.00 0.00 0.00 -1.26 -3.51 107.32 104.13 3kud s GLY 12 Ca 0.46 1.14 0.00 0.00 0.00 0.00 0.00 44.72 46.32 3kud s GLY 12 CO 0.78 1.71 0.00 0.61 0.00 0.00 0.00 173.10 176.20 3kud n GLY 13 N 0.69 0.59 0.01 0.20 0.00 -1.26 -4.88 105.19 100.54 3kud n GLY 13 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 3kud n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kud n VAL 14 N -2.55 0.04 0.00 1.61 0.24 -1.23 -4.90 118.33 111.53 3kud n VAL 14 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 3kud n VAL 14 Cb 0.04 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.12 3kud n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kud n GLY 15 N 1.49 1.30 0.26 7.63 0.00 -1.26 -4.51 105.19 110.09 3kud n GLY 15 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 3kud n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kud h LYS 16 N 0.00 0.69 0.06 1.61 1.57 -1.90 -0.35 116.57 118.24 3kud h LYS 16 Ca 0.00 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 3kud h LYS 16 Cb 0.00 -0.15 0.02 0.00 0.08 0.00 0.00 32.23 32.17 3kud h LYS 16 CO 0.00 0.45 -0.81 0.77 -0.57 0.00 0.00 179.45 179.30 3kud h SER 17 N 0.71 0.61 -0.11 0.86 0.02 -1.96 -2.45 113.55 111.23 3kud h SER 17 Ca 0.29 -0.82 -0.01 0.00 -0.84 0.00 0.00 61.79 60.42 3kud h SER 17 Cb 0.16 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 3kud h SER 17 CO -0.17 1.36 0.04 0.00 -1.14 0.00 0.00 176.83 176.93 3kud h ALA 18 N 0.26 1.80 -0.38 3.77 0.00 -1.87 0.88 119.26 123.73 3kud h ALA 18 Ca -0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3kud h ALA 18 Cb 1.54 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3kud h ALA 18 CO 0.16 0.16 -0.13 -0.07 0.00 0.00 0.00 179.25 179.36 3kud h LEU 19 N 0.21 0.77 0.10 0.00 4.07 -0.95 -1.33 115.31 118.18 3kud h LEU 19 Ca 0.05 -0.38 -0.00 0.00 0.08 0.00 0.00 57.88 57.62 3kud h LEU 19 Cb 0.07 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.60 3kud h LEU 19 CO -0.00 0.98 -0.05 0.74 -1.08 0.00 0.00 178.44 179.03 3kud h THR 20 N 0.56 1.05 -0.50 0.22 2.02 -0.92 0.12 112.91 115.47 3kud h THR 20 Ca 0.09 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.75 3kud h THR 20 Cb 0.67 1.41 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 3kud h THR 20 CO 0.05 0.14 0.27 0.40 0.37 0.00 0.00 175.52 176.74 3kud h ILE 21 N -0.39 1.00 -0.73 3.11 1.08 -0.85 0.18 117.51 120.92 3kud h ILE 21 Ca -0.01 -0.18 0.05 0.00 -0.39 0.00 0.00 64.86 64.33 3kud h ILE 21 Cb 0.32 0.42 -0.05 0.00 -3.07 0.00 0.00 36.82 34.44 3kud h ILE 21 CO 0.02 0.10 0.43 -0.61 -0.69 0.00 0.00 178.15 177.40 3kud h GLN 22 N 0.53 0.78 -0.26 2.37 5.75 -1.10 0.22 115.11 123.42 3kud h GLN 22 Ca 0.21 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 3kud h GLN 22 Cb 0.08 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 3kud h GLN 22 CO -0.12 0.52 0.13 1.25 -2.65 0.00 0.00 178.83 177.95 3kud h LEU 23 N 0.81 0.33 -0.39 -2.39 5.85 0.11 -2.34 115.31 117.30 3kud h LEU 23 Ca 0.32 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 3kud h LEU 23 Cb 0.14 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3kud h LEU 23 CO -0.16 0.36 0.06 0.40 -0.34 0.00 0.00 178.44 178.76 3kud h ILE 24 N 0.28 1.24 0.00 4.05 1.08 -0.12 -3.38 117.51 120.66 3kud h ILE 24 Ca 0.09 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.71 3kud h ILE 24 Cb 0.11 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3kud h ILE 24 CO -0.01 0.29 0.00 1.67 -0.69 0.00 0.00 178.15 179.41 3kud n GLN 25 N -4.54 0.74 -1.71 2.37 -0.06 0.74 -5.02 117.38 109.90 3kud n GLN 25 Ca -0.01 -0.09 -0.16 0.00 -2.00 0.00 0.00 57.00 54.74 3kud n GLN 25 Cb 0.23 -0.44 -0.05 0.00 -4.06 0.00 0.00 30.24 25.91 3kud n GLN 25 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3kud n ASN 26 N -0.13 -4.93 -4.18 1.69 3.02 -0.88 -4.98 115.26 104.86 3kud n ASN 26 Ca 0.00 0.28 -0.29 0.00 -0.03 0.00 0.00 54.58 54.55 3kud n ASN 26 Cb 0.10 -3.92 -0.16 0.00 -0.61 0.00 0.00 39.78 35.19 3kud n ASN 26 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3kud s HIS 27 N -2.66 2.09 -0.24 3.10 2.46 -1.26 -4.98 115.29 113.80 3kud s HIS 27 Ca 0.00 -0.67 -0.22 0.00 0.47 0.00 0.00 55.06 54.63 3kud s HIS 27 Cb 0.00 -1.40 -0.01 0.00 -0.13 0.00 0.00 32.58 31.04 3kud s HIS 27 CO 0.00 -0.24 0.73 0.12 -2.47 0.00 0.00 174.74 172.88 3kud s PHE 28 N 0.08 3.32 -0.78 3.88 5.36 -1.26 -2.88 117.98 125.69 3kud s PHE 28 Ca -0.08 0.99 -0.19 0.00 -0.96 0.00 0.00 56.93 56.70 3kud s PHE 28 Cb -0.14 -2.93 0.12 0.00 -0.34 0.00 0.00 43.02 39.73 3kud s PHE 28 CO 0.04 -0.33 0.96 0.08 -1.46 0.00 0.00 175.22 174.51 3kud s VAL 29 N 2.53 4.75 -0.51 3.12 1.01 -1.26 -4.89 120.40 125.16 3kud s VAL 29 Ca 0.31 -1.27 0.24 0.00 0.00 0.00 0.00 61.98 61.26 3kud s VAL 29 Cb -0.16 -4.66 0.32 0.00 0.00 0.00 0.00 36.38 31.88 3kud s VAL 29 CO 0.09 -1.36 1.64 -2.24 0.00 0.00 0.00 175.10 173.22 3kud h ASP 30 N 8.97 0.00 -4.12 3.32 3.04 -2.00 -3.45 116.42 122.18 3kud h ASP 30 Ca -0.05 -0.00 -0.49 0.00 -3.24 0.00 0.00 57.03 53.25 3kud h ASP 30 Cb 1.05 0.00 0.06 0.00 -1.04 0.00 0.00 39.33 39.40 3kud h ASP 30 CO 1.09 0.00 0.40 -1.83 -2.04 0.00 0.00 179.24 176.86 3kud s GLU 31 N -3.19 3.40 -0.71 4.15 1.03 -1.26 -5.03 118.70 117.09 3kud s GLU 31 Ca 0.08 1.43 -0.16 0.00 0.03 0.00 0.00 54.97 56.35 3kud s GLU 31 Cb 0.07 -2.03 0.17 0.00 -0.80 0.00 0.00 34.13 31.54 3kud s GLU 31 CO 0.66 -0.78 0.71 -0.47 -1.33 0.00 0.00 175.26 174.05 3kud s TYR 32 N -2.03 3.43 -0.58 4.83 5.04 -1.26 -5.04 117.35 121.73 3kud s TYR 32 Ca 0.69 -1.57 -0.10 0.00 -2.44 0.00 0.00 57.07 53.65 3kud s TYR 32 Cb -0.20 -3.88 0.15 0.00 0.35 0.00 0.00 41.96 38.38 3kud s TYR 32 CO 0.29 -1.09 0.47 0.34 -1.34 0.00 0.00 175.55 174.22 3kud s ASP 33 N 2.96 5.90 0.39 4.32 2.15 -1.26 -5.07 116.67 126.07 3kud s ASP 33 Ca 0.14 -2.24 -0.26 0.00 0.43 0.00 0.00 52.55 50.62 3kud s ASP 33 Cb -0.18 -2.05 -0.11 0.00 -0.30 0.00 0.00 42.92 40.28 3kud s ASP 33 CO -0.03 -0.63 1.21 -2.65 -0.17 0.00 0.00 175.17 172.90 3kud n PRO 34 N 4.49 1.84 -3.67 4.34 -0.02 -1.26 -4.95 135.00 135.77 3kud n PRO 34 Ca -0.01 0.65 -0.37 0.00 -2.02 0.00 0.00 63.50 61.75 3kud n PRO 34 Cb 0.41 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.56 3kud n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kud s THR 35 N -1.18 5.23 -0.09 3.45 2.01 -1.26 -5.03 115.64 118.78 3kud s THR 35 Ca 0.60 0.51 -0.08 0.00 0.31 0.00 0.00 61.69 63.03 3kud s THR 35 Cb -0.55 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 3kud s THR 35 CO 0.59 0.54 -0.16 -0.38 -0.69 0.00 0.00 174.62 174.52 3kud n ILE 36 N 1.70 0.72 -3.67 1.82 -0.00 -1.26 -4.21 119.36 114.47 3kud n ILE 36 Ca -0.15 0.33 -0.14 0.00 -0.00 0.00 0.00 62.75 62.79 3kud n ILE 36 Cb 0.53 -1.92 -0.08 0.00 -0.00 0.00 0.00 39.64 38.17 3kud n ILE 36 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 3kud s GLU 37 N -1.89 0.69 -0.02 0.38 -1.05 -1.26 -3.69 118.70 111.86 3kud s GLU 37 Ca -0.13 0.76 0.04 0.00 -0.15 0.00 0.00 54.97 55.48 3kud s GLU 37 Cb 0.02 0.34 -0.00 0.00 -0.44 0.00 0.00 34.13 34.04 3kud s GLU 37 CO 0.20 -0.09 -0.13 -0.51 0.95 0.00 0.00 175.26 175.68 3kud s ASP 38 N 0.21 1.59 -0.03 0.83 1.01 -0.91 -5.02 116.67 114.34 3kud s ASP 38 Ca -0.01 -0.25 0.06 0.00 0.71 0.00 0.00 52.55 53.06 3kud s ASP 38 Cb -0.04 -0.34 -0.01 0.00 1.01 0.00 0.00 42.92 43.54 3kud s ASP 38 CO 0.01 0.12 -0.21 -0.94 0.21 0.00 0.00 175.17 174.36 3kud s SER 39 N -0.03 2.55 0.15 0.27 1.04 -1.26 -0.10 113.70 116.31 3kud s SER 39 Ca -0.00 -0.40 0.10 0.00 0.48 0.00 0.00 55.95 56.12 3kud s SER 39 Cb -0.08 -0.46 -0.04 0.00 0.10 0.00 0.00 66.02 65.54 3kud s SER 39 CO 0.01 0.24 -0.22 -0.31 0.98 0.00 0.00 173.24 173.93 3kud s TYR 40 N -0.32 2.02 -0.05 5.02 1.51 -0.13 -4.96 117.35 120.45 3kud s TYR 40 Ca 0.03 -0.41 0.04 0.00 -1.01 0.00 0.00 57.07 55.73 3kud s TYR 40 Cb -0.10 -1.05 -0.00 0.00 -0.11 0.00 0.00 41.96 40.70 3kud s TYR 40 CO 0.01 0.35 -0.17 1.03 -1.11 0.00 0.00 175.55 175.65 3kud s ARG 41 N -2.40 1.85 -0.13 -0.62 1.81 -1.26 -0.50 118.95 117.69 3kud s ARG 41 Ca 0.14 -0.62 -0.10 0.00 -1.72 0.00 0.00 55.73 53.44 3kud s ARG 41 Cb -0.08 -1.59 0.04 0.00 -0.45 0.00 0.00 34.95 32.87 3kud s ARG 41 CO 0.07 0.23 0.33 0.21 -0.68 0.00 0.00 175.30 175.46 3kud s LYS 42 N 0.08 0.36 -0.22 3.54 2.20 -0.42 -4.99 119.74 120.29 3kud s LYS 42 Ca -0.05 0.54 -0.21 0.00 -0.36 0.00 0.00 55.97 55.89 3kud s LYS 42 Cb -0.12 0.09 -0.02 0.00 -1.51 0.00 0.00 37.83 36.27 3kud s LYS 42 CO 0.03 -0.09 0.65 -1.14 -0.36 0.00 0.00 175.35 174.44 3kud s GLN 43 N 0.60 4.18 0.23 4.03 0.74 -1.26 -0.23 119.66 127.94 3kud s GLN 43 Ca -0.03 0.63 0.00 0.00 0.05 0.00 0.00 55.36 56.01 3kud s GLN 43 Cb -0.05 -3.61 -0.05 0.00 1.10 0.00 0.00 33.01 30.41 3kud s GLN 43 CO -0.04 -0.32 0.11 0.14 -0.55 0.00 0.00 175.29 174.63 3kud s VAL 44 N 2.19 0.31 -0.16 1.34 -7.23 -0.10 -4.98 120.40 111.75 3kud s VAL 44 Ca 0.29 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 3kud s VAL 44 Cb -0.16 -2.55 0.02 0.00 0.56 0.00 0.00 36.38 34.25 3kud s VAL 44 CO 0.10 -0.02 -0.17 0.54 -0.31 0.00 0.00 175.10 175.23 3kud s VAL 45 N -3.94 1.84 -0.16 1.32 0.11 -1.26 -0.21 120.40 118.10 3kud s VAL 45 Ca 0.38 -0.80 0.01 0.00 -2.93 0.00 0.00 61.98 58.63 3kud s VAL 45 Cb 0.07 -1.69 0.02 0.00 -1.53 0.00 0.00 36.38 33.26 3kud s VAL 45 CO 0.12 0.50 -0.18 -0.63 -3.33 0.00 0.00 175.10 171.59 3kud s ILE 46 N 1.36 1.85 -1.46 7.04 1.01 -0.50 -4.74 121.20 125.77 3kud s ILE 46 Ca 0.05 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 3kud s ILE 46 Cb -0.13 -1.69 0.03 0.00 0.01 0.00 0.00 42.46 40.68 3kud s ILE 46 CO -0.12 0.51 0.50 0.47 0.00 0.00 0.00 174.94 176.29 3kud n ASP 47 N 4.64 -0.94 0.00 3.58 8.00 -1.26 -1.42 116.55 129.15 3kud n ASP 47 Ca -0.19 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3kud n ASP 47 Cb 0.50 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.56 3kud n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kud n GLY 48 N -1.89 2.27 3.50 0.44 0.00 -1.26 -5.00 105.19 103.25 3kud n GLY 48 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3kud n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kud s GLU 49 N -0.08 3.75 0.01 1.61 2.12 -0.51 -5.06 118.70 120.54 3kud s GLU 49 Ca 0.00 -0.43 -0.30 0.00 0.36 0.00 0.00 54.97 54.60 3kud s GLU 49 Cb 0.00 -3.36 -0.06 0.00 0.26 0.00 0.00 34.13 30.96 3kud s GLU 49 CO 0.00 -0.11 1.54 0.99 -0.54 0.00 0.00 175.26 177.14 3kud s THR 50 N 1.44 3.46 0.30 -1.70 2.01 -1.26 -1.40 115.64 118.49 3kud s THR 50 Ca 0.06 0.80 -0.06 0.00 0.31 0.00 0.00 61.69 62.80 3kud s THR 50 Cb -0.15 -3.52 -0.00 0.00 0.01 0.00 0.00 72.50 68.84 3kud s THR 50 CO 0.05 -0.02 0.44 0.00 -0.69 0.00 0.00 174.62 174.40 3kud s LEU 52 N -3.16 2.79 -0.36 0.00 2.96 -0.04 -0.93 118.68 119.94 3kud s LEU 52 Ca 0.29 -0.38 -0.16 0.00 -0.22 0.00 0.00 54.13 53.66 3kud s LEU 52 Cb 0.00 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 45.01 3kud s LEU 52 CO 0.16 0.05 0.37 -0.76 -1.32 0.00 0.00 176.35 174.85 3kud s LEU 53 N 1.05 4.56 -0.45 -0.68 1.02 0.68 0.17 118.68 125.02 3kud s LEU 53 Ca 0.00 -0.36 -0.17 0.00 0.02 0.00 0.00 54.13 53.63 3kud s LEU 53 Cb -0.15 -2.33 0.05 0.00 0.02 0.00 0.00 46.19 43.78 3kud s LEU 53 CO -0.01 -0.39 0.43 -0.62 0.02 0.00 0.00 176.35 175.78 3kud s ASP 54 N 1.75 6.17 -0.25 2.29 3.68 0.14 -1.30 116.67 129.14 3kud s ASP 54 Ca 0.11 -1.00 -0.04 0.00 2.13 0.00 0.00 52.55 53.75 3kud s ASP 54 Cb -0.17 -2.21 0.01 0.00 -1.45 0.00 0.00 42.92 39.10 3kud s ASP 54 CO 0.12 -0.64 -0.02 -0.63 0.13 0.00 0.00 175.17 174.13 3kud s ILE 55 N 1.96 3.36 -0.44 4.11 1.01 0.35 0.74 121.20 132.29 3kud s ILE 55 Ca 0.08 -0.69 -0.18 0.00 0.00 0.00 0.00 60.65 59.86 3kud s ILE 55 Cb -0.20 -2.63 0.03 0.00 0.01 0.00 0.00 42.46 39.67 3kud s ILE 55 CO 0.10 0.28 0.51 -0.22 0.00 0.00 0.00 174.94 175.61 3kud s LEU 56 N 1.44 4.80 -0.12 2.97 0.20 0.91 -0.95 118.68 127.92 3kud s LEU 56 Ca 0.03 -0.63 -0.20 0.00 0.69 0.00 0.00 54.13 54.03 3kud s LEU 56 Cb -0.16 -2.48 -0.04 0.00 -0.43 0.00 0.00 46.19 43.08 3kud s LEU 56 CO -0.02 -0.67 0.56 -0.62 -0.29 0.00 0.00 176.35 175.31 3kud s ASP 57 N 1.97 6.76 0.38 3.68 2.15 0.85 -0.40 116.67 132.06 3kud s ASP 57 Ca 0.15 0.91 0.08 0.00 0.43 0.00 0.00 52.55 54.12 3kud s ASP 57 Cb -0.17 -2.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.09 3kud s ASP 57 CO 0.15 -0.08 0.24 0.42 -0.17 0.00 0.00 175.17 175.72 3kud s THR 58 N 0.92 2.82 -0.13 1.71 -4.23 -0.94 -2.15 115.64 113.63 3kud s THR 58 Ca 0.29 -1.56 -0.29 0.00 -1.18 0.00 0.00 61.69 58.95 3kud s THR 58 Cb -0.16 -3.02 -0.02 0.00 1.34 0.00 0.00 72.50 70.65 3kud s THR 58 CO 0.12 -0.09 1.17 0.00 -0.54 0.00 0.00 174.62 175.28 3kud s ALA 59 N -2.46 3.58 0.00 3.99 0.00 -1.24 -4.84 121.76 120.78 3kud s ALA 59 Ca 0.42 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.83 3kud s ALA 59 Cb -0.02 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3kud s ALA 59 CO 0.25 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.47 3kud n GLY 60 N 3.41 0.00 0.00 0.00 0.00 -1.26 -4.36 105.19 102.99 3kud n GLY 60 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3kud n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kud n GLN 61 N 0.00 1.39 -1.91 1.61 -0.00 -1.26 -4.44 117.38 112.77 3kud n GLN 61 Ca 0.00 -0.03 -0.24 0.00 -0.00 0.00 0.00 57.00 56.73 3kud n GLN 61 Cb 0.00 -0.23 -0.05 0.00 -0.00 0.00 0.00 30.24 29.95 3kud n GLN 61 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 3kud s GLU 62 N -0.21 2.30 -0.16 2.61 8.01 -1.26 -4.12 118.70 125.88 3kud s GLU 62 Ca 0.00 0.03 -0.10 0.00 0.01 0.00 0.00 54.97 54.91 3kud s GLU 62 Cb 0.00 -4.93 -0.07 0.00 -4.31 0.00 0.00 34.13 24.83 3kud s GLU 62 CO 0.00 -3.60 -0.24 -1.91 0.01 0.00 0.00 175.26 169.52 3kud n GLU 63 N 8.88 0.38 -2.84 1.61 2.13 -1.26 -4.78 120.64 124.75 3kud n GLU 63 Ca 0.40 0.16 -0.20 0.00 0.66 0.00 0.00 57.16 58.19 3kud n GLU 63 Cb 0.47 -1.14 -0.01 0.00 0.27 0.00 0.00 31.44 31.02 3kud n GLU 63 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3kud n TYR 64 N -3.91 2.05 -0.20 4.31 0.53 -1.26 -4.87 117.16 113.81 3kud n TYR 64 Ca -0.29 -3.44 -0.12 0.00 -1.02 0.00 0.00 57.90 53.04 3kud n TYR 64 Cb 0.64 -0.35 -0.08 0.00 -1.03 0.00 0.00 39.34 38.52 3kud n TYR 64 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 3kud h SER 65 N 2.90 -1.79 0.00 7.72 4.64 -1.90 -3.27 113.55 121.85 3kud h SER 65 Ca 0.10 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3kud h SER 65 Cb 0.90 0.77 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 3kud h SER 65 CO 0.65 -0.36 0.04 0.00 -0.87 0.00 0.00 176.83 176.29 3kud n ALA 66 N -3.13 0.90 0.11 5.18 0.00 -1.26 -2.59 120.51 119.71 3kud n ALA 66 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kud n ALA 66 Cb 0.33 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3kud n ALA 66 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3kud n MET 67 N 1.71 0.00 -3.24 0.00 0.00 -1.23 -5.00 117.12 109.36 3kud n MET 67 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 57.70 57.24 3kud n MET 67 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 33.22 33.12 3kud n MET 67 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 3kud s ARG 68 N -2.00 3.48 0.00 2.12 1.04 -1.07 -4.74 118.95 117.78 3kud s ARG 68 Ca 0.00 -2.14 0.00 0.00 -1.04 0.00 0.00 55.73 52.55 3kud s ARG 68 Cb 0.00 -4.48 0.00 0.00 -2.04 0.00 0.00 34.95 28.43 3kud s ARG 68 CO 0.00 -1.40 0.60 -0.25 -0.04 0.00 0.00 175.30 174.20 3kud n ASP 69 N 4.80 0.00 0.00 -2.89 8.00 -1.26 -4.67 116.55 120.53 3kud n ASP 69 Ca 0.10 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.35 3kud n ASP 69 Cb 0.46 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 3kud n ASP 69 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 3kud n GLN 70 N 0.00 0.00 -2.26 -1.24 7.27 -1.26 -4.83 117.38 115.06 3kud n GLN 70 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 3kud n GLN 70 Cb 0.55 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.20 3kud n GLN 70 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3kud n TYR 71 N -0.03 2.72 0.00 3.69 4.02 -1.26 0.44 117.16 126.74 3kud n TYR 71 Ca 0.00 -2.77 0.00 0.00 -0.01 0.00 0.00 57.90 55.12 3kud n TYR 71 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 39.34 37.51 3kud n TYR 71 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 3kud n MET 72 N 2.63 0.00 0.09 -0.72 0.00 -1.26 -4.76 117.12 113.11 3kud n MET 72 Ca 0.48 0.00 0.13 0.00 0.00 0.00 0.00 57.70 58.31 3kud n MET 72 Cb 0.31 0.00 0.31 0.00 0.00 0.00 0.00 33.22 33.84 3kud n MET 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 3kud n ARG 73 N 0.00 0.28 0.09 2.12 3.00 0.17 -3.61 116.66 118.71 3kud n ARG 73 Ca 0.00 0.17 -0.20 0.00 -0.00 0.00 0.00 57.85 57.82 3kud n ARG 73 Cb 0.00 -1.77 -0.15 0.00 0.00 0.00 0.00 32.46 30.55 3kud n ARG 73 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 3kud h THR 74 N 0.00 1.20 -2.98 5.15 1.35 -1.08 -3.47 112.91 113.08 3kud h THR 74 Ca 0.00 -2.76 -0.58 0.00 -0.55 0.00 0.00 66.41 62.52 3kud h THR 74 Cb 0.75 2.87 0.10 0.00 -1.73 0.00 0.00 68.15 70.13 3kud h THR 74 CO 0.00 0.84 0.56 0.61 -0.25 0.00 0.00 175.52 177.27 3kud n GLY 75 N 1.70 0.67 0.07 5.82 0.00 -1.24 -4.92 105.19 107.29 3kud n GLY 75 Ca -0.17 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3kud n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kud n GLU 76 N 1.32 0.65 -3.78 1.61 1.02 -0.12 -4.90 120.64 116.43 3kud n GLU 76 Ca 0.08 0.03 -0.13 0.00 -0.02 0.00 0.00 57.16 57.12 3kud n GLU 76 Cb 0.34 -1.64 -0.11 0.00 -0.02 0.00 0.00 31.44 30.01 3kud n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kud s GLY 77 N -4.92 -0.20 -0.07 0.62 0.00 -0.94 -4.19 107.32 97.62 3kud s GLY 77 Ca -0.07 0.74 0.04 0.00 0.00 0.00 0.00 44.72 45.44 3kud s GLY 77 CO 0.84 0.64 -0.21 -1.36 0.00 0.00 0.00 173.10 173.01 3kud s PHE 78 N 0.13 2.16 -0.29 1.90 0.40 -0.64 -0.03 117.98 121.60 3kud s PHE 78 Ca -0.00 -0.75 -0.10 0.00 -0.60 0.00 0.00 56.93 55.47 3kud s PHE 78 Cb -0.02 -1.45 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 3kud s PHE 78 CO 0.00 -0.28 0.17 -1.17 0.70 0.00 0.00 175.22 174.64 3kud s LEU 79 N 0.18 4.04 -0.26 -0.37 2.96 0.68 -1.00 118.68 124.92 3kud s LEU 79 Ca -0.11 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.49 3kud s LEU 79 Cb -0.15 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 3kud s LEU 79 CO 0.05 -0.12 0.06 0.00 -1.32 0.00 0.00 176.35 175.03 3kud s VAL 81 N 1.58 2.32 0.18 0.00 1.01 -0.08 -0.77 120.40 124.64 3kud s VAL 81 Ca 0.06 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 3kud s VAL 81 Cb -0.15 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3kud s VAL 81 CO 0.03 0.56 0.08 0.72 0.00 0.00 0.00 175.10 176.48 3kud s PHE 82 N -0.66 1.12 -0.00 5.22 -0.12 -0.36 -4.29 117.98 118.88 3kud s PHE 82 Ca 0.11 -1.23 0.02 0.00 -0.05 0.00 0.00 56.93 55.77 3kud s PHE 82 Cb -0.10 -0.61 -0.03 0.00 -0.63 0.00 0.00 43.02 41.65 3kud s PHE 82 CO -0.00 -0.48 -0.03 0.00 -0.05 0.00 0.00 175.22 174.67 3kud s ALA 83 N -3.97 3.17 -1.06 1.99 0.00 -1.26 0.30 121.76 120.94 3kud s ALA 83 Ca 0.31 -0.97 0.18 0.00 0.00 0.00 0.00 51.96 51.48 3kud s ALA 83 Cb 0.07 -1.26 0.77 0.00 0.00 0.00 0.00 23.12 22.70 3kud s ALA 83 CO 0.07 0.63 1.56 0.44 0.00 0.00 0.00 175.76 178.46 3kud n ILE 84 N 1.51 0.75 -1.32 0.00 -5.35 0.20 -1.65 119.36 113.49 3kud n ILE 84 Ca -0.15 0.19 -0.06 0.00 -0.27 0.00 0.00 62.75 62.46 3kud n ILE 84 Cb 0.53 -0.88 0.21 0.00 -1.74 0.00 0.00 39.64 37.75 3kud n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3kud n ASN 85 N -1.47 3.04 -3.27 7.28 2.04 -1.26 -0.38 115.26 121.23 3kud n ASN 85 Ca 0.05 -3.60 -0.16 0.00 -0.44 0.00 0.00 54.58 50.43 3kud n ASN 85 Cb 0.20 -0.66 -0.06 0.00 -2.53 0.00 0.00 39.78 36.72 3kud n ASN 85 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 3kud s ASN 86 N -2.15 0.67 0.23 0.53 3.84 -0.66 -4.83 114.94 112.57 3kud s ASN 86 Ca 0.47 -1.83 -0.07 0.00 0.21 0.00 0.00 52.86 51.63 3kud s ASN 86 Cb 0.41 0.66 0.38 0.00 -0.55 0.00 0.00 41.25 42.15 3kud s ASN 86 CO 0.04 -0.21 1.69 0.74 -2.79 0.00 0.00 177.10 176.57 3kud h THR 87 N 4.94 0.54 -0.73 -5.21 2.02 -1.87 -2.13 112.91 110.48 3kud h THR 87 Ca 0.09 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.27 3kud h THR 87 Cb 1.04 0.28 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 3kud h THR 87 CO 0.19 0.04 0.40 0.50 0.37 0.00 0.00 175.52 177.03 3kud h LYS 88 N 0.24 0.69 0.00 6.66 3.64 -1.94 0.65 116.57 126.50 3kud h LYS 88 Ca 0.37 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.66 3kud h LYS 88 Cb 0.60 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3kud h LYS 88 CO -0.48 0.46 -0.24 0.66 -2.27 0.00 0.00 179.45 177.57 3kud h SER 89 N 0.71 0.00 -0.37 4.20 4.64 -1.73 0.60 113.55 121.60 3kud h SER 89 Ca 0.34 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.53 3kud h SER 89 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3kud h SER 89 CO -0.22 0.24 -0.26 0.15 -0.87 0.00 0.00 176.83 175.87 3kud h PHE 90 N 0.00 1.02 0.00 4.77 3.57 -0.56 -2.78 116.94 122.97 3kud h PHE 90 Ca -0.00 -0.25 -0.07 0.00 3.53 0.00 0.00 57.97 61.17 3kud h PHE 90 Cb 0.48 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3kud h PHE 90 CO 0.00 1.04 -0.34 0.93 -2.23 0.00 0.00 178.31 177.71 3kud h GLU 91 N 0.76 0.00 0.00 1.11 5.08 -0.44 -2.49 114.58 118.60 3kud h GLU 91 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3kud h GLU 91 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3kud h GLU 91 CO 0.07 0.34 -0.19 -0.44 -1.00 0.00 0.00 179.01 177.79 3kud h ASP 92 N 0.00 0.00 -1.01 1.42 3.32 -0.63 -3.29 116.42 116.23 3kud h ASP 92 Ca -0.00 0.00 0.24 0.00 0.02 0.00 0.00 57.03 57.29 3kud h ASP 92 Cb 0.71 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.15 3kud h ASP 92 CO 0.04 0.19 0.62 0.40 -1.72 0.00 0.00 179.24 178.78 3kud h ILE 93 N 0.00 0.57 -0.73 0.35 1.08 -1.37 -0.06 117.51 117.35 3kud h ILE 93 Ca -0.00 -0.19 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 3kud h ILE 93 Cb 0.73 -0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 3kud h ILE 93 CO 0.02 0.10 0.30 -0.74 -0.69 0.00 0.00 178.15 177.14 3kud h HIS 94 N 0.56 1.08 -0.24 1.37 2.76 -1.77 -1.44 115.15 117.47 3kud h HIS 94 Ca 0.61 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.70 3kud h HIS 94 Cb 1.24 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 3kud h HIS 94 CO -0.00 0.82 0.10 1.96 -1.30 0.00 0.00 177.93 179.50 3kud h GLN 95 N 1.05 0.36 -0.20 5.26 4.20 -1.26 0.11 115.11 124.63 3kud h GLN 95 Ca 0.24 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.94 3kud h GLN 95 Cb 0.19 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 3kud h GLN 95 CO -0.02 0.39 -0.11 1.88 -0.67 0.00 0.00 178.83 180.30 3kud h TYR 96 N 0.25 -0.26 -0.89 2.96 0.05 -1.33 0.16 116.97 117.90 3kud h TYR 96 Ca 0.08 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 3kud h TYR 96 Cb 0.16 0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 3kud h TYR 96 CO -0.01 -0.17 0.55 -0.09 -1.05 0.00 0.00 178.16 177.39 3kud h ARG 97 N -0.09 1.20 -0.49 4.88 2.43 -0.98 0.52 114.38 121.85 3kud h ARG 97 Ca 0.11 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3kud h ARG 97 Cb 0.26 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3kud h ARG 97 CO -0.26 0.83 0.14 0.93 -1.51 0.00 0.00 179.97 180.10 3kud h GLU 98 N 1.23 0.77 0.36 0.20 4.39 -0.43 0.89 114.58 121.99 3kud h GLU 98 Ca 0.32 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 3kud h GLU 98 Cb -0.07 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 3kud h GLU 98 CO -0.06 0.73 -0.42 0.37 -1.16 0.00 0.00 179.01 178.47 3kud h GLN 99 N 0.66 -0.78 -0.46 2.33 5.75 0.22 -0.07 115.11 122.76 3kud h GLN 99 Ca 0.16 0.05 0.09 0.00 -0.15 0.00 0.00 58.65 58.80 3kud h GLN 99 Cb 0.29 0.18 -0.08 0.00 1.07 0.00 0.00 27.48 28.94 3kud h GLN 99 CO -0.00 -0.52 -0.05 0.82 -2.65 0.00 0.00 178.83 176.43 3kud h ILE 100 N -0.81 0.60 -0.10 2.39 2.04 0.09 -0.40 117.51 121.32 3kud h ILE 100 Ca -0.03 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3kud h ILE 100 Cb 0.74 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3kud h ILE 100 CO -0.10 0.01 -0.08 0.11 0.00 0.00 0.00 178.15 178.10 3kud h LYS 101 N 0.06 0.14 0.14 2.37 1.57 -0.69 -2.06 116.57 118.11 3kud h LYS 101 Ca 0.23 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3kud h LYS 101 Cb 0.34 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3kud h LYS 101 CO -0.42 0.23 -0.07 -0.09 -0.57 0.00 0.00 179.45 178.53 3kud h ARG 102 N 0.14 -0.19 0.00 3.15 2.43 0.54 -3.34 114.38 117.11 3kud h ARG 102 Ca 0.03 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3kud h ARG 102 Cb 0.23 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3kud h ARG 102 CO 0.01 0.24 0.00 0.28 -1.51 0.00 0.00 179.97 178.99 3kud h VAL 103 N -0.70 0.00 -0.85 0.20 2.07 -0.95 -3.40 116.25 112.61 3kud h VAL 103 Ca -0.02 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3kud h VAL 103 Cb 0.51 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 3kud h VAL 103 CO 0.03 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.91 3kud n LYS 104 N -2.42 3.85 -0.17 1.57 5.02 -0.79 -4.27 118.16 120.94 3kud n LYS 104 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3kud n LYS 104 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.36 3kud n LYS 104 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kud n ASP 105 N 0.00 0.00 -4.21 4.39 4.64 -1.25 -4.90 116.55 115.21 3kud n ASP 105 Ca 0.00 -1.30 -0.15 0.00 -1.38 0.00 0.00 54.79 51.96 3kud n ASP 105 Cb 0.00 -0.06 -0.11 0.00 -1.04 0.00 0.00 41.12 39.91 3kud n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3kud s SER 106 N -0.30 1.68 0.00 1.67 0.15 -1.26 -5.04 113.70 110.60 3kud s SER 106 Ca 0.00 -0.84 0.24 0.00 0.70 0.00 0.00 55.95 56.04 3kud s SER 106 Cb 0.00 -0.02 0.81 0.00 -1.71 0.00 0.00 66.02 65.10 3kud s SER 106 CO 0.00 -0.24 1.60 -0.90 1.20 0.00 0.00 173.24 174.90 3kud n ASP 107 N 0.43 1.79 -4.01 5.45 5.75 -1.26 -4.35 116.55 120.34 3kud n ASP 107 Ca -0.15 -1.66 -0.32 0.00 -0.01 0.00 0.00 54.79 52.64 3kud n ASP 107 Cb 0.58 -0.07 -0.09 0.00 -1.03 0.00 0.00 41.12 40.51 3kud n ASP 107 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3kud s ASP 108 N -1.74 5.43 -0.08 -1.12 -1.08 -1.26 -4.96 116.67 111.86 3kud s ASP 108 Ca 0.35 -3.74 -0.02 0.00 -0.52 0.00 0.00 52.55 48.61 3kud s ASP 108 Cb 0.19 -1.78 -0.03 0.00 -1.46 0.00 0.00 42.92 39.83 3kud s ASP 108 CO 0.29 -0.15 0.03 -0.69 0.52 0.00 0.00 175.17 175.18 3kud s VAL 109 N -1.34 4.51 0.13 1.11 1.01 -1.26 -5.07 120.40 119.50 3kud s VAL 109 Ca 0.26 -0.22 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 3kud s VAL 109 Cb -0.07 -2.93 -0.10 0.00 0.00 0.00 0.00 36.38 33.29 3kud s VAL 109 CO -0.14 0.57 1.62 -2.84 0.00 0.00 0.00 175.10 174.31 3kud s PRO 110 N -1.03 4.20 -0.05 2.72 0.02 -1.26 -4.95 135.00 134.65 3kud s PRO 110 Ca 0.15 2.37 -0.19 0.00 0.02 0.00 0.00 61.00 63.35 3kud s PRO 110 Cb -0.11 -3.32 0.04 0.00 0.02 0.00 0.00 34.50 31.13 3kud s PRO 110 CO 0.04 -0.67 0.43 1.41 -0.33 0.00 0.00 177.00 177.89 3kud s MET 111 N 1.72 0.75 0.01 5.54 1.75 -1.26 -1.62 119.30 126.19 3kud s MET 111 Ca 0.72 0.07 0.01 0.00 -1.25 0.00 0.00 55.69 55.24 3kud s MET 111 Cb -0.43 0.34 -0.01 0.00 2.84 0.00 0.00 34.83 37.58 3kud s MET 111 CO 0.32 -0.20 -0.03 0.08 -0.65 0.00 0.00 175.02 174.54 3kud s VAL 112 N -1.01 0.18 -0.25 10.11 1.01 -0.17 -4.28 120.40 125.99 3kud s VAL 112 Ca -0.11 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 3kud s VAL 112 Cb -0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.09 3kud s VAL 112 CO 0.05 -0.13 0.31 -0.22 0.00 0.00 0.00 175.10 175.11 3kud s LEU 113 N -0.55 4.08 -0.12 3.92 2.96 -0.55 -0.69 118.68 127.74 3kud s LEU 113 Ca -0.04 0.27 0.02 0.00 -0.22 0.00 0.00 54.13 54.16 3kud s LEU 113 Cb -0.04 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 3kud s LEU 113 CO -0.00 -0.09 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.06 3kud s VAL 114 N 1.62 2.51 -0.36 1.68 1.01 0.05 -0.19 120.40 126.73 3kud s VAL 114 Ca 0.13 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 3kud s VAL 114 Cb -0.15 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.25 3kud s VAL 114 CO 0.08 0.54 0.16 -0.83 0.00 0.00 0.00 175.10 175.06 3kud s GLY 115 N 0.37 1.89 0.42 4.51 0.00 -0.65 -1.22 107.32 112.64 3kud s GLY 115 Ca -0.15 -1.76 0.06 0.00 0.00 0.00 0.00 44.72 42.88 3kud s GLY 115 CO 0.07 0.82 0.58 0.21 0.00 0.00 0.00 173.10 174.78 3kud s ASN 116 N 1.51 5.70 -0.60 1.64 2.47 0.15 -0.30 114.94 125.51 3kud s ASN 116 Ca 0.00 -0.28 -0.01 0.00 0.42 0.00 0.00 52.86 53.00 3kud s ASN 116 Cb -0.19 -0.87 0.00 0.00 -1.45 0.00 0.00 41.25 38.73 3kud s ASN 116 CO 0.05 -0.72 0.07 0.29 -3.72 0.00 0.00 177.10 173.06 3kud n LYS 117 N -1.87 -0.95 0.00 0.43 5.02 -0.19 -0.63 118.16 119.97 3kud n LYS 117 Ca 0.06 0.34 0.08 0.00 -2.02 0.00 0.00 58.31 56.77 3kud n LYS 117 Cb 0.59 -4.17 0.47 0.00 -0.02 0.00 0.00 35.03 31.90 3kud n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kud h ASP 119 N 0.00 0.00 -4.18 0.00 2.03 -1.91 -3.47 116.42 108.89 3kud h ASP 119 Ca 0.00 -0.05 -0.48 0.00 -0.73 0.00 0.00 57.03 55.76 3kud h ASP 119 Cb 0.00 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 38.54 3kud h ASP 119 CO 0.00 0.03 0.38 -0.76 -1.03 0.00 0.00 179.24 177.85 3kud s LEU 120 N -4.81 3.59 -0.00 0.15 1.43 -0.09 -4.98 118.68 113.96 3kud s LEU 120 Ca 0.08 1.72 0.22 0.00 -1.03 0.00 0.00 54.13 55.11 3kud s LEU 120 Cb 0.11 -4.52 -0.18 0.00 0.03 0.00 0.00 46.19 41.62 3kud s LEU 120 CO 0.65 -0.87 0.88 0.00 0.23 0.00 0.00 176.35 177.24 3kud n ALA 121 N -1.73 4.32 -1.70 4.21 0.00 -1.26 -4.54 120.51 119.80 3kud n ALA 121 Ca 0.08 -0.56 -0.37 0.00 0.00 0.00 0.00 53.44 52.59 3kud n ALA 121 Cb 0.53 -0.80 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 3kud n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kud n ALA 122 N -1.63 6.98 -2.10 0.00 0.00 -1.26 -4.97 120.51 117.53 3kud n ALA 122 Ca 0.03 -3.72 -0.42 0.00 0.00 0.00 0.00 53.44 49.33 3kud n ALA 122 Cb 0.37 -2.87 -0.03 0.00 0.00 0.00 0.00 19.45 16.93 3kud n ALA 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3kud s ARG 123 N -0.15 4.30 0.00 0.00 3.52 -1.26 -4.23 118.95 121.12 3kud s ARG 123 Ca 0.60 2.15 0.00 0.00 -0.13 0.00 0.00 55.73 58.34 3kud s ARG 123 Cb 0.21 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.38 3kud s ARG 123 CO -0.09 -0.47 0.13 0.25 -0.81 0.00 0.00 175.30 174.31 3kud n THR 124 N 3.85 0.00 -3.80 4.11 -2.24 0.49 -4.95 114.28 111.73 3kud n THR 124 Ca 0.12 -0.35 -0.36 0.00 -2.27 0.00 0.00 64.05 61.18 3kud n THR 124 Cb 0.41 1.11 -0.13 0.00 -2.10 0.00 0.00 70.33 69.62 3kud n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kud s VAL 125 N -0.45 3.87 0.31 2.28 1.01 -0.63 -4.88 120.40 121.91 3kud s VAL 125 Ca 0.00 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 3kud s VAL 125 Cb 0.00 -2.88 -0.09 0.00 0.00 0.00 0.00 36.38 33.40 3kud s VAL 125 CO 0.00 0.25 1.04 -1.61 0.00 0.00 0.00 175.10 174.77 3kud s GLU 126 N 1.52 4.54 0.31 2.72 0.41 -1.26 -4.91 118.70 122.03 3kud s GLU 126 Ca 0.04 1.60 0.17 0.00 -0.41 0.00 0.00 54.97 56.38 3kud s GLU 126 Cb -0.16 -2.97 1.13 0.00 -1.78 0.00 0.00 34.13 30.35 3kud s GLU 126 CO 0.01 0.18 1.33 0.45 -0.49 0.00 0.00 175.26 176.74 3kud n SER 127 N 0.80 0.29 -0.05 -0.19 2.88 -1.26 -1.13 113.62 114.97 3kud n SER 127 Ca 0.01 1.40 -0.10 0.00 -1.33 0.00 0.00 58.87 58.85 3kud n SER 127 Cb 0.47 -0.68 0.04 0.00 -0.75 0.00 0.00 64.21 63.29 3kud n SER 127 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3kud h ARG 128 N 0.00 0.71 -0.40 -1.46 2.43 -1.98 0.28 114.38 113.95 3kud h ARG 128 Ca 0.71 -0.39 -0.07 0.00 -0.81 0.00 0.00 59.98 59.42 3kud h ARG 128 Cb 1.88 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.44 3kud h ARG 128 CO -0.65 1.01 -0.02 1.96 -1.51 0.00 0.00 179.97 180.76 3kud h GLN 129 N 0.57 0.72 -0.24 0.20 4.20 -1.50 -1.91 115.11 117.14 3kud h GLN 129 Ca 0.04 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.41 3kud h GLN 129 Cb 1.00 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 3kud h GLN 129 CO 0.09 0.82 -0.25 0.00 -0.67 0.00 0.00 178.83 178.82 3kud h ALA 130 N 0.88 0.35 -0.55 3.87 0.00 -1.18 -1.72 119.26 120.90 3kud h ALA 130 Ca 0.11 -0.38 0.09 0.00 0.00 0.00 0.00 54.91 54.73 3kud h ALA 130 Cb 0.50 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 3kud h ALA 130 CO 0.02 0.33 0.15 1.96 0.00 0.00 0.00 179.25 181.72 3kud h GLN 131 N 0.30 0.29 -0.91 0.00 4.20 -0.45 -0.21 115.11 118.33 3kud h GLN 131 Ca 0.04 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.79 3kud h GLN 131 Cb 0.81 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.45 3kud h GLN 131 CO 0.06 0.19 0.57 -0.44 -0.67 0.00 0.00 178.83 178.55 3kud h ASP 132 N 0.30 0.90 0.25 1.46 5.19 -1.23 0.15 116.42 123.44 3kud h ASP 132 Ca 0.28 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.69 3kud h ASP 132 Cb 0.37 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.71 3kud h ASP 132 CO -0.33 0.57 -0.12 0.25 -3.12 0.00 0.00 179.24 176.49 3kud h LEU 133 N 1.03 -0.29 -1.18 1.55 6.46 -0.69 -2.00 115.31 120.19 3kud h LEU 133 Ca 0.40 -0.15 0.01 0.00 -0.12 0.00 0.00 57.88 58.02 3kud h LEU 133 Cb 0.18 0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.14 3kud h LEU 133 CO -0.18 -0.01 0.55 0.00 -0.62 0.00 0.00 178.44 178.18 3kud h ALA 134 N 0.11 1.40 -0.83 1.25 0.00 -0.73 -0.98 119.26 119.48 3kud h ALA 134 Ca -0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3kud h ALA 134 Cb 0.42 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3kud h ALA 134 CO 0.06 0.55 0.41 -0.09 0.00 0.00 0.00 179.25 180.18 3kud h ARG 135 N 1.13 1.19 0.00 0.00 2.43 -0.55 0.07 114.38 118.65 3kud h ARG 135 Ca 0.30 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 3kud h ARG 135 Cb -0.13 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.19 3kud h ARG 135 CO -0.07 0.91 -0.42 1.03 -1.51 0.00 0.00 179.97 179.91 3kud h SER 136 N 1.18 0.00 1.22 -3.80 0.87 -0.45 -1.69 113.55 110.87 3kud h SER 136 Ca 0.29 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 3kud h SER 136 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3kud h SER 136 CO -0.04 0.42 -0.31 1.88 -0.53 0.00 0.00 176.83 178.26 3kud h TYR 137 N 0.00 0.00 -0.21 2.24 0.05 -0.18 -3.48 116.97 115.40 3kud h TYR 137 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3kud h TYR 137 Cb 0.89 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.63 3kud h TYR 137 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 3kud n GLY 138 N 1.31 0.77 3.20 3.88 0.00 -0.10 -4.95 105.19 109.30 3kud n GLY 138 Ca 0.04 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 3kud n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kud s ILE 139 N -2.21 0.09 0.60 -0.61 -4.36 -0.51 -5.01 121.20 109.19 3kud s ILE 139 Ca 0.00 -1.74 -0.13 0.00 -0.26 0.00 0.00 60.65 58.51 3kud s ILE 139 Cb 0.00 -1.96 -0.04 0.00 1.25 0.00 0.00 42.46 41.71 3kud s ILE 139 CO 0.00 -0.43 1.03 -2.84 0.24 0.00 0.00 174.94 172.94 3kud s PRO 140 N -4.02 3.51 -0.04 0.37 0.02 -1.26 -4.32 135.00 129.26 3kud s PRO 140 Ca 0.21 0.94 0.05 0.00 0.02 0.00 0.00 61.00 62.22 3kud s PRO 140 Cb 0.06 -2.07 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 3kud s PRO 140 CO 0.01 -0.64 -0.18 -0.47 -0.33 0.00 0.00 177.00 175.39 3kud s TYR 141 N -2.86 2.58 -0.02 6.54 5.04 -1.26 -1.48 117.35 125.89 3kud s TYR 141 Ca 0.58 -0.26 -0.01 0.00 -2.44 0.00 0.00 57.07 54.94 3kud s TYR 141 Cb -0.12 -1.59 0.02 0.00 0.35 0.00 0.00 41.96 40.61 3kud s TYR 141 CO 0.44 0.11 0.05 0.42 -1.34 0.00 0.00 175.55 175.23 3kud s ILE 142 N -0.67 -0.03 0.16 3.14 1.01 0.74 -4.97 121.20 120.59 3kud s ILE 142 Ca 0.10 0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.76 3kud s ILE 142 Cb -0.11 -0.09 -0.06 0.00 0.01 0.00 0.00 42.46 42.21 3kud s ILE 142 CO 0.00 0.04 0.47 -1.61 0.00 0.00 0.00 174.94 173.85 3kud s GLU 143 N 0.53 3.77 0.01 2.79 2.02 -1.26 -1.63 118.70 124.93 3kud s GLU 143 Ca -0.04 0.20 -0.04 0.00 0.02 0.00 0.00 54.97 55.11 3kud s GLU 143 Cb -0.06 -2.82 -0.01 0.00 0.10 0.00 0.00 34.13 31.34 3kud s GLU 143 CO -0.02 0.43 0.06 0.99 0.02 0.00 0.00 175.26 176.74 3kud s THR 144 N -1.63 0.10 -0.20 3.63 2.01 0.59 -4.43 115.64 115.71 3kud s THR 144 Ca 0.41 -0.79 -0.01 0.00 0.31 0.00 0.00 61.69 61.61 3kud s THR 144 Cb -0.13 -0.35 0.06 0.00 0.01 0.00 0.00 72.50 72.09 3kud s THR 144 CO 0.21 -0.43 -0.02 -0.55 -0.69 0.00 0.00 174.62 173.14 3kud s SER 145 N -1.41 3.20 0.39 3.53 0.15 -0.24 -0.90 113.70 118.42 3kud s SER 145 Ca -0.15 -0.90 0.27 0.00 0.70 0.00 0.00 55.95 55.87 3kud s SER 145 Cb -0.09 -0.87 1.41 0.00 -1.71 0.00 0.00 66.02 64.77 3kud s SER 145 CO 0.00 -0.25 1.83 0.00 1.20 0.00 0.00 173.24 176.02 3kud h ALA 146 N 8.12 1.00 0.13 5.45 0.00 -1.89 0.06 119.26 132.13 3kud h ALA 146 Ca -0.19 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 3kud h ALA 146 Cb 1.10 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.91 3kud h ALA 146 CO 0.37 0.00 -0.77 -0.22 0.00 0.00 0.00 179.25 178.63 3kud h LYS 147 N 0.00 0.28 0.00 0.00 3.64 -1.94 -3.36 116.57 115.19 3kud h LYS 147 Ca 0.00 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3kud h LYS 147 Cb 0.08 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3kud h LYS 147 CO 0.00 1.23 -1.15 2.41 -2.27 0.00 0.00 179.45 179.67 3kud n THR 148 N -4.15 0.00 -0.89 1.00 -1.04 -1.18 -4.81 114.28 103.21 3kud n THR 148 Ca -0.14 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 3kud n THR 148 Cb 0.80 0.58 0.00 0.00 -1.82 0.00 0.00 70.33 69.89 3kud n THR 148 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3kud n ARG 149 N -1.66 0.00 -1.60 -2.82 0.63 0.00 -5.00 116.66 106.21 3kud n ARG 149 Ca -0.00 0.00 -0.50 0.00 -0.92 0.00 0.00 57.85 56.43 3kud n ARG 149 Cb 0.29 -2.92 -0.05 0.00 0.45 0.00 0.00 32.46 30.23 3kud n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 3kud n GLN 150 N -2.00 1.37 -0.46 -0.14 7.27 -1.19 -2.47 117.38 119.75 3kud n GLN 150 Ca 0.00 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.56 3kud n GLN 150 Cb 0.00 -2.12 0.00 0.00 2.41 0.00 0.00 30.24 30.53 3kud n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3kud n GLY 151 N 2.50 1.49 0.14 1.69 0.00 -1.26 -1.08 105.19 108.67 3kud n GLY 151 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3kud n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kud h VAL 152 N 0.00 0.92 -0.85 1.61 2.07 -1.78 0.23 116.25 118.45 3kud h VAL 152 Ca 0.00 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 66.87 3kud h VAL 152 Cb 0.00 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3kud h VAL 152 CO 0.00 0.16 0.54 -0.33 0.02 0.00 0.00 177.57 177.95 3kud h GLU 153 N -0.60 0.98 -0.57 1.57 5.08 -1.89 -1.51 114.58 117.63 3kud h GLU 153 Ca -0.03 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3kud h GLU 153 Cb 0.45 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 3kud h GLU 153 CO 0.04 0.65 0.30 -0.44 -1.00 0.00 0.00 179.01 178.56 3kud h ASP 154 N 1.01 0.44 -0.05 1.42 3.45 -1.92 0.86 116.42 121.63 3kud h ASP 154 Ca 0.36 0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.84 3kud h ASP 154 Cb 0.10 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 38.81 3kud h ASP 154 CO -0.15 0.30 0.02 0.00 -1.57 0.00 0.00 179.24 177.84 3kud h ALA 155 N 1.30 0.06 -0.20 3.45 0.00 0.18 1.00 119.26 125.04 3kud h ALA 155 Ca 0.25 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3kud h ALA 155 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kud h ALA 155 CO -0.17 -0.36 -0.53 0.74 0.00 0.00 0.00 179.25 178.93 3kud h PHE 156 N -0.07 0.73 0.05 0.00 0.04 -0.85 -2.11 116.94 114.74 3kud h PHE 156 Ca 0.02 -0.25 -0.23 0.00 2.80 0.00 0.00 57.97 60.30 3kud h PHE 156 Cb 0.15 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 3kud h PHE 156 CO -0.02 0.99 -1.05 1.88 -0.60 0.00 0.00 178.31 179.50 3kud h TYR 157 N 0.46 0.32 -0.33 -0.55 -1.99 0.76 -0.65 116.97 114.99 3kud h TYR 157 Ca 0.01 -0.21 -0.03 0.00 2.00 0.00 0.00 58.73 60.50 3kud h TYR 157 Cb 1.07 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.77 3kud h TYR 157 CO 0.05 1.11 0.10 1.15 -0.00 0.00 0.00 178.16 180.56 3kud h THR 158 N 0.08 1.21 -0.65 -2.88 2.02 -0.70 -0.44 112.91 111.54 3kud h THR 158 Ca -0.07 -0.69 0.06 0.00 0.77 0.00 0.00 66.41 66.47 3kud h THR 158 Cb 1.75 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 69.14 3kud h THR 158 CO 0.16 0.24 0.36 0.25 0.37 0.00 0.00 175.52 176.90 3kud h LEU 159 N 0.38 0.54 -1.13 2.58 6.46 -0.93 0.16 115.31 123.36 3kud h LEU 159 Ca 0.11 0.03 0.13 0.00 -0.12 0.00 0.00 57.88 58.03 3kud h LEU 159 Cb 0.26 -0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 40.04 3kud h LEU 159 CO -0.00 0.35 0.60 0.58 -0.62 0.00 0.00 178.44 179.35 3kud h VAL 160 N 0.67 0.87 -0.01 1.05 2.07 -0.59 0.12 116.25 120.44 3kud h VAL 160 Ca 0.29 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 67.33 3kud h VAL 160 Cb 0.17 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3kud h VAL 160 CO -0.17 0.16 -0.81 0.03 0.02 0.00 0.00 177.57 176.79 3kud h ARG 161 N 0.85 0.21 -0.62 1.57 3.08 0.72 0.23 114.38 120.42 3kud h ARG 161 Ca 0.48 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 60.23 3kud h ARG 161 Cb 0.61 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 3kud h ARG 161 CO -0.24 0.91 0.02 0.93 -1.07 0.00 0.00 179.97 180.52 3kud h GLU 162 N 0.12 1.08 -0.67 0.04 4.39 -0.04 -2.93 114.58 116.58 3kud h GLU 162 Ca -0.03 -0.33 -0.07 0.00 0.34 0.00 0.00 59.36 59.27 3kud h GLU 162 Cb 1.41 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.93 3kud h GLU 162 CO 0.12 1.04 0.16 0.82 -1.16 0.00 0.00 179.01 180.00 3kud h ILE 163 N 0.98 1.26 0.00 3.13 2.04 -0.37 -2.01 117.51 122.54 3kud h ILE 163 Ca 0.18 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 3kud h ILE 163 Cb 0.54 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3kud h ILE 163 CO 0.03 0.36 -0.08 0.03 0.00 0.00 0.00 178.15 178.49 3kud h ARG 164 N 1.01 0.00 0.00 2.37 3.08 -0.87 -3.51 114.38 116.46 3kud h ARG 164 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3kud h ARG 164 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3kud h ARG 164 CO 0.00 0.08 0.00 1.04 -1.07 0.00 0.00 179.97 180.02