#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1trg h LYS 2 N 0.00 0.10 -0.67 0.03 3.64 -1.98 0.91 116.57 118.61 1trg h LYS 2 Ca 0.00 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1trg h LYS 2 Cb 0.00 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1trg h LYS 2 CO 0.00 0.06 0.32 1.96 -2.27 0.00 0.00 179.45 179.52 1trg h GLN 3 N 0.10 0.96 -0.34 1.90 7.50 -1.99 -1.78 115.11 121.45 1trg h GLN 3 Ca 0.21 -0.14 -0.04 0.00 0.50 0.00 0.00 58.65 59.18 1trg h GLN 3 Cb 0.31 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.65 1trg h GLN 3 CO -0.36 0.77 0.05 -0.92 -1.50 0.00 0.00 178.83 176.86 1trg h TYR 4 N 0.92 0.62 -0.05 2.96 3.20 -1.82 -2.26 116.97 120.54 1trg h TYR 4 Ca 0.23 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 1trg h TYR 4 Cb 0.12 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1trg h TYR 4 CO 0.00 0.65 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.70 1trg h LEU 5 N 0.41 0.11 -0.62 2.82 3.38 -0.73 -1.99 115.31 118.70 1trg h LEU 5 Ca 0.10 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1trg h LEU 5 Cb 0.37 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1trg h LEU 5 CO 0.01 0.51 -0.29 -0.33 0.09 0.00 0.00 178.44 178.43 1trg h GLU 6 N 0.09 0.78 -0.37 1.13 5.08 -1.20 -2.10 114.58 118.01 1trg h GLU 6 Ca 0.01 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 57.97 1trg h GLU 6 Cb 0.75 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 1trg h GLU 6 CO 0.06 0.97 0.04 1.25 -1.00 0.00 0.00 179.01 180.32 1trg h LEU 7 N 0.67 0.61 -0.43 1.33 5.85 -1.06 0.19 115.31 122.47 1trg h LEU 7 Ca 0.08 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.56 1trg h LEU 7 Cb 0.82 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1trg h LEU 7 CO 0.07 0.74 0.19 0.24 -0.34 0.00 0.00 178.44 179.33 1trg h MET 8 N 0.46 0.37 -0.79 1.25 2.86 -1.23 -0.77 114.93 117.08 1trg h MET 8 Ca 0.11 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1trg h MET 8 Cb 0.40 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 1trg h MET 8 CO 0.01 0.24 0.30 0.37 1.06 0.00 0.00 176.91 178.90 1trg h GLN 9 N 0.38 1.19 -0.66 1.72 5.75 -1.23 -1.88 115.11 120.38 1trg h GLN 9 Ca 0.19 -0.22 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1trg h GLN 9 Cb 0.14 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1trg h GLN 9 CO -0.17 0.97 0.35 -0.22 -2.65 0.00 0.00 178.83 177.11 1trg h LYS 10 N 1.16 0.93 -0.48 1.69 3.64 -0.28 0.42 116.57 123.64 1trg h LYS 10 Ca 0.26 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 1trg h LYS 10 Cb 0.24 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1trg h LYS 10 CO -0.02 0.71 -0.04 0.28 -2.27 0.00 0.00 179.45 178.12 1trg h VAL 11 N 0.90 1.27 -0.39 2.00 2.07 -0.93 0.32 116.25 121.49 1trg h VAL 11 Ca 0.23 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.55 1trg h VAL 11 Cb 0.07 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1trg h VAL 11 CO -0.03 0.39 -0.04 -0.07 0.02 0.00 0.00 177.57 177.84 1trg h LEU 12 N 0.73 0.62 0.13 2.57 3.38 -1.04 0.70 115.31 122.40 1trg h LEU 12 Ca 0.13 -0.15 -0.29 0.00 0.09 0.00 0.00 57.88 57.66 1trg h LEU 12 Cb 0.56 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1trg h LEU 12 CO 0.03 0.72 -1.40 0.44 0.09 0.00 0.00 178.44 178.32 1trg h ASP 13 N 0.60 0.42 -0.00 -0.43 3.32 -0.64 -3.39 116.42 116.30 1trg h ASP 13 Ca 0.12 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1trg h ASP 13 Cb 0.44 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1trg h ASP 13 CO 0.02 1.41 -0.00 -0.62 -1.72 0.00 0.00 179.24 178.33 1trg n GLU 14 N -3.50 -0.36 -2.08 3.56 1.02 0.11 -5.05 120.64 114.35 1trg n GLU 14 Ca -0.13 -0.65 -0.39 0.00 -0.02 0.00 0.00 57.16 55.97 1trg n GLU 14 Cb 1.04 -1.04 -0.00 0.00 -0.02 0.00 0.00 31.44 31.41 1trg n GLU 14 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1trg s GLY 15 N -0.27 2.91 -0.16 0.62 0.00 0.24 -4.83 107.32 105.84 1trg s GLY 15 Ca 0.03 1.19 -0.06 0.00 0.00 0.00 0.00 44.72 45.88 1trg s GLY 15 CO 0.04 1.76 0.05 -1.59 0.00 0.00 0.00 173.10 173.36 1trg s THR 16 N -1.30 4.74 0.25 0.90 2.01 0.06 -4.67 115.64 117.63 1trg s THR 16 Ca 0.58 -0.06 -0.31 0.00 0.31 0.00 0.00 61.69 62.21 1trg s THR 16 Cb -0.37 -3.10 -0.11 0.00 0.01 0.00 0.00 72.50 68.93 1trg s THR 16 CO 0.47 0.51 1.63 -1.10 -0.69 0.00 0.00 174.62 175.44 1trg s GLN 17 N -0.01 4.14 -0.07 4.92 -0.21 -1.26 -1.22 119.66 125.95 1trg s GLN 17 Ca 0.06 2.56 -0.11 0.00 0.02 0.00 0.00 55.36 57.88 1trg s GLN 17 Cb -0.12 -3.06 0.02 0.00 1.00 0.00 0.00 33.01 30.85 1trg s GLN 17 CO 0.01 -0.66 0.28 0.21 -2.12 0.00 0.00 175.29 173.01 1trg s LYS 18 N 0.28 0.46 0.63 2.91 2.20 0.58 -4.92 119.74 121.87 1trg s LYS 18 Ca 0.68 0.14 -0.09 0.00 -0.36 0.00 0.00 55.97 56.34 1trg s LYS 18 Cb -0.48 0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.05 1trg s LYS 18 CO 0.40 -0.09 0.99 -0.80 -0.36 0.00 0.00 175.35 175.49 1trg s ASN 19 N -0.47 5.70 0.22 1.43 0.02 -1.26 -0.72 114.94 119.86 1trg s ASN 19 Ca -0.06 1.01 -0.10 0.00 -1.02 0.00 0.00 52.86 52.70 1trg s ASN 19 Cb -0.04 -1.96 -0.01 0.00 0.02 0.00 0.00 41.25 39.26 1trg s ASN 19 CO 0.02 -1.10 0.37 1.51 0.02 0.00 0.00 177.10 177.92 1trg s ASP 20 N -4.29 -0.02 0.32 -1.22 -4.77 -1.26 -4.84 116.67 100.59 1trg s ASP 20 Ca 0.55 -1.02 0.09 0.00 -3.30 0.00 0.00 52.55 48.87 1trg s ASP 20 Cb -0.11 0.52 0.92 0.00 -1.09 0.00 0.00 42.92 43.16 1trg s ASP 20 CO 0.49 -1.03 1.67 -0.09 0.70 0.00 0.00 175.17 176.91 1trg h ARG 21 N 2.38 0.34 0.00 2.11 2.43 -1.99 0.10 114.38 119.75 1trg h ARG 21 Ca -0.29 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1trg h ARG 21 Cb 1.25 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1trg h ARG 21 CO 0.41 0.23 0.00 0.25 -1.51 0.00 0.00 179.97 179.35 1trg n THR 22 N -5.06 0.57 -1.14 0.20 -2.24 -1.26 -4.90 114.28 100.44 1trg n THR 22 Ca 0.27 -0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.99 1trg n THR 22 Cb 0.83 -0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 68.28 1trg n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1trg n GLY 23 N 0.85 0.75 0.13 3.38 0.00 0.35 -4.91 105.19 105.73 1trg n GLY 23 Ca 0.05 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 1trg n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1trg h THR 24 N 0.00 0.90 0.00 2.61 2.02 -1.91 -3.48 112.91 113.05 1trg h THR 24 Ca -0.10 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 64.51 1trg h THR 24 Cb 0.38 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 1trg h THR 24 CO 0.15 0.82 0.00 0.61 0.37 0.00 0.00 175.52 177.47 1trg n GLY 25 N 1.81 0.82 3.29 2.16 0.00 -1.26 -4.53 105.19 107.47 1trg n GLY 25 Ca -0.23 -1.47 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 1trg n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1trg s THR 26 N -1.24 0.08 -0.23 2.61 -4.23 0.10 -0.89 115.64 111.86 1trg s THR 26 Ca 0.00 -1.46 -0.06 0.00 -1.18 0.00 0.00 61.69 58.99 1trg s THR 26 Cb 0.00 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 72.00 1trg s THR 26 CO 0.00 -0.37 0.04 -0.76 -0.54 0.00 0.00 174.62 172.99 1trg s LEU 27 N -2.97 3.37 0.05 4.79 1.43 -0.34 -0.31 118.68 124.70 1trg s LEU 27 Ca 0.17 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1trg s LEU 27 Cb 0.04 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1trg s LEU 27 CO -0.01 0.01 -0.12 -0.55 0.23 0.00 0.00 176.35 175.92 1trg s SER 28 N 1.33 1.35 0.19 2.29 0.15 -0.36 -1.18 113.70 117.46 1trg s SER 28 Ca 0.05 -0.53 0.05 0.00 0.70 0.00 0.00 55.95 56.21 1trg s SER 28 Cb -0.15 -0.03 -0.05 0.00 -1.71 0.00 0.00 66.02 64.08 1trg s SER 28 CO 0.02 -0.09 -0.07 0.27 1.20 0.00 0.00 173.24 174.57 1trg s ILE 29 N -1.16 1.23 -0.10 6.45 -4.36 -0.32 -0.76 121.20 122.19 1trg s ILE 29 Ca -0.04 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.29 1trg s ILE 29 Cb -0.09 -2.08 0.02 0.00 1.25 0.00 0.00 42.46 41.56 1trg s ILE 29 CO 0.01 -0.56 -0.12 0.12 0.24 0.00 0.00 174.94 174.63 1trg s PHE 30 N -3.29 1.67 0.00 1.37 5.36 -1.26 -1.13 117.98 120.71 1trg s PHE 30 Ca 0.22 -0.76 0.00 0.00 -0.96 0.00 0.00 56.93 55.43 1trg s PHE 30 Cb 0.03 -1.26 0.00 0.00 -0.34 0.00 0.00 43.02 41.45 1trg s PHE 30 CO 0.05 -0.44 0.00 0.41 -1.46 0.00 0.00 175.22 173.78 1trg n GLY 31 N 4.33 -2.19 3.25 13.12 0.00 -0.65 -5.01 105.19 118.04 1trg n GLY 31 Ca -0.18 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1trg n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1trg s HIS 32 N 0.00 -0.26 -0.05 1.61 5.04 -1.11 -4.98 115.29 115.53 1trg s HIS 32 Ca 0.00 0.51 -0.04 0.00 -1.54 0.00 0.00 55.06 53.99 1trg s HIS 32 Cb 0.00 0.12 0.02 0.00 0.04 0.00 0.00 32.58 32.76 1trg s HIS 32 CO 0.00 -0.34 0.13 -1.14 -2.34 0.00 0.00 174.74 171.05 1trg s GLN 33 N -0.87 0.13 0.05 2.88 0.74 -1.26 -0.38 119.66 120.96 1trg s GLN 33 Ca -0.09 0.22 -0.04 0.00 0.05 0.00 0.00 55.36 55.49 1trg s GLN 33 Cb -0.04 0.01 -0.02 0.00 1.10 0.00 0.00 33.01 34.05 1trg s GLN 33 CO 0.03 -0.05 0.06 0.00 -0.55 0.00 0.00 175.29 174.78 1trg s MET 34 N 0.34 0.63 0.01 1.67 0.23 -0.30 -5.00 119.30 116.87 1trg s MET 34 Ca -0.02 -0.96 0.04 0.00 -1.03 0.00 0.00 55.69 53.72 1trg s MET 34 Cb -0.04 0.24 -0.01 0.00 -1.53 0.00 0.00 34.83 33.49 1trg s MET 34 CO -0.01 -0.15 -0.13 0.50 -2.03 0.00 0.00 175.02 173.19 1trg s ARG 35 N -3.27 1.02 -0.18 3.16 3.52 -1.26 -0.55 118.95 121.39 1trg s ARG 35 Ca 0.01 -0.56 0.01 0.00 -0.13 0.00 0.00 55.73 55.05 1trg s ARG 35 Cb 0.03 -1.00 0.03 0.00 -1.56 0.00 0.00 34.95 32.45 1trg s ARG 35 CO -0.08 0.27 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.50 1trg s PHE 36 N -0.48 2.29 -0.54 5.12 0.40 0.61 -4.96 117.98 120.41 1trg s PHE 36 Ca 0.04 -1.42 -0.28 0.00 -0.60 0.00 0.00 56.93 54.67 1trg s PHE 36 Cb -0.06 -1.61 0.03 0.00 0.51 0.00 0.00 43.02 41.89 1trg s PHE 36 CO 0.00 -0.71 1.21 1.21 0.70 0.00 0.00 175.22 177.64 1trg s ASN 37 N 1.44 6.46 0.64 1.36 3.84 -1.26 -0.57 114.94 126.85 1trg s ASN 37 Ca 0.02 0.25 0.41 0.00 0.21 0.00 0.00 52.86 53.75 1trg s ASN 37 Cb -0.15 -2.55 2.22 0.00 -0.55 0.00 0.00 41.25 40.22 1trg s ASN 37 CO -0.09 -1.45 2.25 -0.07 -2.79 0.00 0.00 177.10 174.95 1trg h LEU 38 N 11.88 0.00 -1.07 3.21 3.38 -1.49 -0.05 115.31 131.17 1trg h LEU 38 Ca -0.25 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1trg h LEU 38 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1trg h LEU 38 CO 1.17 0.00 -0.23 1.56 0.09 0.00 0.00 178.44 181.02 1trg h GLN 39 N 0.00 0.00 0.00 1.13 1.08 -1.80 -2.84 115.11 112.67 1trg h GLN 39 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1trg h GLN 39 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1trg h GLN 39 CO 0.00 0.23 0.00 -0.44 -0.95 0.00 0.00 178.83 177.67 1trg h ASP 40 N 0.00 0.00 -3.78 1.46 3.32 -1.38 -3.49 116.42 112.56 1trg h ASP 40 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1trg h ASP 40 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1trg h ASP 40 CO 0.03 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.16 1trg n GLY 41 N 0.93 3.23 3.66 2.75 0.00 -1.07 -4.87 105.19 109.82 1trg n GLY 41 Ca 0.04 -1.68 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 1trg n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1trg s PHE 42 N -2.00 3.14 -0.88 1.61 5.36 0.26 -4.61 117.98 120.86 1trg s PHE 42 Ca 0.00 1.28 -0.22 0.00 -0.96 0.00 0.00 56.93 57.03 1trg s PHE 42 Cb 0.00 -3.37 -0.13 0.00 -0.34 0.00 0.00 43.02 39.18 1trg s PHE 42 CO 0.00 -1.01 1.93 -0.35 -1.46 0.00 0.00 175.22 174.33 1trg n PRO 43 N 6.25 1.61 -4.17 10.12 -0.04 -1.26 -4.02 135.00 143.48 1trg n PRO 43 Ca 0.12 -2.02 -0.34 0.00 -0.04 0.00 0.00 63.50 61.22 1trg n PRO 43 Cb 0.46 -3.09 -0.15 0.00 -0.04 0.00 0.00 33.50 30.68 1trg n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1trg s LEU 44 N 3.09 2.69 0.05 1.53 2.96 -1.26 -4.00 118.68 123.74 1trg s LEU 44 Ca 0.59 -0.43 -0.35 0.00 -0.22 0.00 0.00 54.13 53.72 1trg s LEU 44 Cb 0.11 -1.65 -0.14 0.00 0.50 0.00 0.00 46.19 45.01 1trg s LEU 44 CO 0.11 0.03 1.58 0.52 -1.32 0.00 0.00 176.35 177.28 1trg n VAL 45 N 4.44 0.13 0.35 1.68 0.31 -1.26 -4.83 118.33 119.14 1trg n VAL 45 Ca -0.19 -0.02 0.07 0.00 -0.01 0.00 0.00 64.34 64.19 1trg n VAL 45 Cb 0.51 -1.36 -0.10 0.00 -0.91 0.00 0.00 33.84 31.98 1trg n VAL 45 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1trg n THR 46 N 3.59 0.00 1.08 2.52 -2.24 -1.26 -4.38 114.28 113.59 1trg n THR 46 Ca 0.19 -0.25 0.10 0.00 -2.27 0.00 0.00 64.05 61.83 1trg n THR 46 Cb 0.24 0.57 0.56 0.00 -2.10 0.00 0.00 70.33 69.60 1trg n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1trg n THR 47 N -1.70 0.26 -3.59 4.28 -2.24 -1.26 -0.40 114.28 109.63 1trg n THR 47 Ca -0.00 0.06 -0.16 0.00 -2.27 0.00 0.00 64.05 61.68 1trg n THR 47 Cb 0.32 -0.72 -0.07 0.00 -2.10 0.00 0.00 70.33 67.76 1trg n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1trg s LYS 48 N -2.40 0.92 -0.10 -0.78 -2.85 -1.26 -4.51 119.74 108.76 1trg s LYS 48 Ca 0.23 0.39 -0.30 0.00 -1.00 0.00 0.00 55.97 55.30 1trg s LYS 48 Cb 0.14 0.44 -0.02 0.00 -2.06 0.00 0.00 37.83 36.33 1trg s LYS 48 CO 0.30 -0.24 1.14 0.50 0.10 0.00 0.00 175.35 177.15 1trg s ARG 49 N -0.75 4.35 -0.12 1.78 3.52 -0.88 -4.65 118.95 122.20 1trg s ARG 49 Ca -0.08 1.57 -0.06 0.00 -0.13 0.00 0.00 55.73 57.03 1trg s ARG 49 Cb -0.02 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.74 1trg s ARG 49 CO 0.07 -0.47 0.11 0.00 -0.81 0.00 0.00 175.30 174.20 1trg s HIS 51 N -0.94 2.34 0.25 0.00 2.46 -1.26 -4.86 115.29 113.28 1trg s HIS 51 Ca 0.14 -0.42 -0.04 0.00 0.47 0.00 0.00 55.06 55.22 1trg s HIS 51 Cb -0.12 -4.57 0.43 0.00 -0.13 0.00 0.00 32.58 28.19 1trg s HIS 51 CO 0.03 -1.95 1.79 -0.07 -2.47 0.00 0.00 174.74 172.07 1trg h LEU 52 N 13.74 0.60 -0.75 8.88 -0.00 -2.00 -2.47 115.31 133.30 1trg h LEU 52 Ca 0.08 0.06 0.16 0.00 -0.00 0.00 0.00 57.88 58.18 1trg h LEU 52 Cb 1.02 -0.04 -0.11 0.00 -0.00 0.00 0.00 40.66 41.53 1trg h LEU 52 CO 1.36 0.32 0.24 -0.09 -0.00 0.00 0.00 178.44 180.27 1trg h ARG 53 N 0.71 0.33 -0.15 1.13 2.43 -2.00 -0.17 114.38 116.66 1trg h ARG 53 Ca 0.41 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.53 1trg h ARG 53 Cb 0.45 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1trg h ARG 53 CO -0.28 0.22 -0.04 0.77 -1.51 0.00 0.00 179.97 179.12 1trg h SER 54 N 0.34 0.29 0.37 -3.80 0.02 -1.84 -2.25 113.55 106.69 1trg h SER 54 Ca 0.43 -0.37 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1trg h SER 54 Cb 0.71 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1trg h SER 54 CO -0.47 0.60 -0.38 0.40 -1.14 0.00 0.00 176.83 175.84 1trg h ILE 55 N -0.02 0.23 0.13 3.27 2.04 -1.23 -1.03 117.51 120.91 1trg h ILE 55 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1trg h ILE 55 Cb 0.47 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1trg h ILE 55 CO 0.02 0.00 -0.13 0.40 0.00 0.00 0.00 178.15 178.43 1trg h ILE 56 N -0.77 0.70 0.00 -0.67 2.04 -1.12 -2.60 117.51 115.09 1trg h ILE 56 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1trg h ILE 56 Cb 0.70 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1trg h ILE 56 CO -0.07 0.00 -0.09 0.45 0.00 0.00 0.00 178.15 178.44 1trg h HIS 57 N -0.29 0.00 -0.32 1.37 3.86 -1.35 -2.08 115.15 116.34 1trg h HIS 57 Ca 0.01 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 1trg h HIS 57 Cb 0.28 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 1trg h HIS 57 CO -0.13 0.09 -0.13 1.49 0.86 0.00 0.00 177.93 180.11 1trg h GLU 58 N 0.00 0.65 0.07 2.45 4.81 -0.82 -1.53 114.58 120.21 1trg h GLU 58 Ca -0.00 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1trg h GLU 58 Cb 0.17 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1trg h GLU 58 CO 0.01 0.86 -0.03 1.25 -0.73 0.00 0.00 179.01 180.36 1trg h LEU 59 N 0.41 -0.08 -1.37 1.64 5.85 -1.04 -0.56 115.31 120.16 1trg h LEU 59 Ca 0.07 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.74 1trg h LEU 59 Cb 0.65 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1trg h LEU 59 CO 0.04 0.10 0.51 -0.07 -0.34 0.00 0.00 178.44 178.68 1trg h LEU 60 N -0.26 0.64 -0.37 2.25 3.38 -1.40 0.20 115.31 119.75 1trg h LEU 60 Ca -0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1trg h LEU 60 Cb 0.22 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1trg h LEU 60 CO 0.02 0.38 0.12 -0.25 0.09 0.00 0.00 178.44 178.80 1trg h TRP 61 N 0.71 0.59 -0.24 1.13 7.01 -0.93 -1.80 115.95 122.42 1trg h TRP 61 Ca 0.36 -0.06 0.01 0.00 2.11 0.00 0.00 58.89 61.31 1trg h TRP 61 Cb 0.44 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 1trg h TRP 61 CO -0.00 0.56 0.12 0.74 -2.79 0.00 0.00 178.44 177.08 1trg h PHE 62 N 0.45 0.23 0.00 2.65 0.04 0.60 -2.46 116.94 118.45 1trg h PHE 62 Ca 0.12 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 1trg h PHE 62 Cb 0.24 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.32 1trg h PHE 62 CO 0.01 0.13 -0.04 -0.07 -0.60 0.00 0.00 178.31 177.74 1trg h LEU 63 N 0.26 0.00 0.00 1.54 3.38 -0.79 -0.58 115.31 119.11 1trg h LEU 63 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1trg h LEU 63 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1trg h LEU 63 CO -0.06 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.51 1trg n GLN 64 N -3.89 0.01 -1.08 1.13 6.02 -0.70 -4.87 117.38 114.00 1trg n GLN 64 Ca -0.03 0.05 -0.03 0.00 -0.01 0.00 0.00 57.00 56.99 1trg n GLN 64 Cb 0.13 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.88 1trg n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1trg n GLY 65 N 1.19 0.59 3.81 1.08 0.00 -0.23 -5.01 105.19 106.62 1trg n GLY 65 Ca 0.07 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.88 1trg n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1trg s ASP 66 N -2.86 7.11 0.00 1.61 -1.08 -1.14 -3.87 116.67 116.44 1trg s ASP 66 Ca 0.00 1.46 0.00 0.00 -0.52 0.00 0.00 52.55 53.49 1trg s ASP 66 Cb 0.00 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 1trg s ASP 66 CO 0.00 0.05 0.53 0.35 0.52 0.00 0.00 175.17 176.62 1trg n THR 67 N 0.83 0.22 -4.24 1.71 -2.24 -1.26 -4.24 114.28 105.06 1trg n THR 67 Ca -0.03 -0.25 -0.34 0.00 -2.27 0.00 0.00 64.05 61.16 1trg n THR 67 Cb 0.51 1.05 -0.10 0.00 -2.10 0.00 0.00 70.33 69.68 1trg n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1trg s ASN 68 N -0.22 5.26 0.00 3.42 3.84 -1.26 -2.23 114.94 123.76 1trg s ASN 68 Ca 0.00 0.04 0.15 0.00 0.21 0.00 0.00 52.86 53.26 1trg s ASN 68 Cb 0.00 -1.77 0.89 0.00 -0.55 0.00 0.00 41.25 39.82 1trg s ASN 68 CO 0.00 0.24 1.31 2.30 -2.79 0.00 0.00 177.10 178.15 1trg n ILE 69 N 3.11 0.00 -0.09 -5.21 -5.35 -0.60 -3.96 119.36 107.26 1trg n ILE 69 Ca -0.17 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.24 1trg n ILE 69 Cb 0.53 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 37.72 1trg n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1trg h ALA 70 N 2.93 0.06 -0.73 -1.28 0.00 -1.93 -0.95 119.26 117.37 1trg h ALA 70 Ca 0.00 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1trg h ALA 70 Cb 0.00 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1trg h ALA 70 CO 0.00 -0.57 0.36 -0.92 0.00 0.00 0.00 179.25 178.12 1trg h TYR 71 N -0.13 0.63 -0.58 0.00 3.20 -2.00 0.00 116.97 118.10 1trg h TYR 71 Ca 0.17 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.05 1trg h TYR 71 Cb 0.40 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1trg h TYR 71 CO -0.39 0.21 0.26 -0.07 -1.64 0.00 0.00 178.16 176.52 1trg h LEU 72 N 0.59 0.77 -0.76 2.82 3.38 -1.59 -2.46 115.31 118.05 1trg h LEU 72 Ca 0.37 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1trg h LEU 72 Cb 0.42 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1trg h LEU 72 CO -0.29 0.70 0.12 0.45 0.09 0.00 0.00 178.44 179.51 1trg h HIS 73 N 0.79 1.12 -0.30 1.13 3.86 -0.06 0.14 115.15 121.82 1trg h HIS 73 Ca 0.20 -0.14 0.07 0.00 -1.16 0.00 0.00 60.37 59.34 1trg h HIS 73 Cb 0.15 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1trg h HIS 73 CO 0.00 0.93 0.21 0.93 0.86 0.00 0.00 177.93 180.87 1trg h GLU 74 N 1.00 0.06 -0.54 2.45 5.08 -0.60 -0.77 114.58 121.26 1trg h GLU 74 Ca 0.20 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1trg h GLU 74 Cb 0.41 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1trg h GLU 74 CO 0.01 0.04 0.00 0.09 -1.00 0.00 0.00 179.01 178.15 1trg n ASN 75 N -4.46 4.66 -2.02 1.42 4.13 -0.59 -4.96 115.26 113.44 1trg n ASN 75 Ca 0.04 -2.62 -0.19 0.00 1.68 0.00 0.00 54.58 53.50 1trg n ASN 75 Cb 0.33 -0.56 -0.02 0.00 -1.54 0.00 0.00 39.78 37.99 1trg n ASN 75 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1trg n ASN 76 N 0.67 -5.37 -4.48 6.41 3.02 -0.30 -5.00 115.26 110.22 1trg n ASN 76 Ca 0.24 0.05 -0.37 0.00 -0.03 0.00 0.00 54.58 54.48 1trg n ASN 76 Cb 0.92 -4.43 -0.12 0.00 -0.61 0.00 0.00 39.78 35.53 1trg n ASN 76 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1trg s VAL 77 N -2.89 4.48 -0.30 2.41 1.01 0.38 -4.98 120.40 120.51 1trg s VAL 77 Ca 0.00 -0.12 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1trg s VAL 77 Cb 0.00 -3.10 0.18 0.00 0.00 0.00 0.00 36.38 33.46 1trg s VAL 77 CO 0.00 0.33 1.13 0.35 0.00 0.00 0.00 175.10 176.92 1trg n THR 78 N 4.86 1.25 0.26 3.92 -2.24 -1.26 -3.64 114.28 117.44 1trg n THR 78 Ca -0.16 -1.27 0.18 0.00 -2.27 0.00 0.00 64.05 60.53 1trg n THR 78 Cb 0.52 0.32 0.89 0.00 -2.10 0.00 0.00 70.33 69.95 1trg n THR 78 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 1trg h ILE 79 N 0.74 0.22 -0.15 2.28 3.07 -1.97 -2.26 117.51 119.45 1trg h ILE 79 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1trg h ILE 79 Cb 0.73 0.79 0.00 0.00 -0.27 0.00 0.00 36.82 38.07 1trg h ILE 79 CO 0.02 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.91 1trg n TRP 80 N -3.36 0.17 -0.28 0.16 7.02 -1.26 -4.74 117.44 115.16 1trg n TRP 80 Ca 0.00 -0.12 0.09 0.00 -1.02 0.00 0.00 57.50 56.45 1trg n TRP 80 Cb 0.33 -0.00 0.24 0.00 -2.42 0.00 0.00 31.31 29.46 1trg n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1trg h ASP 81 N 3.24 0.22 0.40 -0.99 5.19 -1.77 -2.63 116.42 120.08 1trg h ASP 81 Ca 0.00 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1trg h ASP 81 Cb 0.74 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.39 1trg h ASP 81 CO 0.00 0.02 0.00 -0.33 -3.12 0.00 0.00 179.24 175.81 1trg h GLU 82 N 0.38 0.00 0.00 3.56 3.07 -1.85 -3.07 114.58 116.67 1trg h GLU 82 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1trg h GLU 82 Cb 0.84 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1trg h GLU 82 CO -0.49 0.00 -0.67 0.91 -1.40 0.00 0.00 179.01 177.36 1trg n TRP 83 N -2.84 0.00 -2.49 4.33 8.01 -1.00 -5.00 117.44 118.45 1trg n TRP 83 Ca -0.01 0.00 -0.33 0.00 -1.31 0.00 0.00 57.50 55.85 1trg n TRP 83 Cb 0.15 -0.02 -0.03 0.00 -2.01 0.00 0.00 31.31 29.40 1trg n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1trg s ALA 84 N -2.25 2.92 0.86 6.99 0.00 -1.16 -4.81 121.76 124.31 1trg s ALA 84 Ca 0.04 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.43 1trg s ALA 84 Cb 0.09 -3.20 0.02 0.00 0.00 0.00 0.00 23.12 20.04 1trg s ALA 84 CO 0.52 -0.28 0.14 -0.40 0.00 0.00 0.00 175.76 175.74 1trg n ASP 85 N -1.19 0.05 -0.24 0.00 5.68 -0.14 -4.81 116.55 115.89 1trg n ASP 85 Ca 0.08 -1.07 0.13 0.00 -0.50 0.00 0.00 54.79 53.43 1trg n ASP 85 Cb 0.53 -0.11 0.42 0.00 -1.14 0.00 0.00 41.12 40.82 1trg n ASP 85 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1trg h GLU 86 N 0.00 0.59 -0.38 0.11 3.07 -1.97 0.18 114.58 116.17 1trg h GLU 86 Ca -0.05 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1trg h GLU 86 Cb 0.14 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1trg h GLU 86 CO 0.04 0.39 0.00 0.09 -1.40 0.00 0.00 179.01 178.12 1trg n ASN 87 N -4.54 2.09 0.00 1.42 4.13 -1.26 -4.91 115.26 112.18 1trg n ASN 87 Ca 0.17 -1.98 0.00 0.00 1.68 0.00 0.00 54.58 54.45 1trg n ASN 87 Cb 0.50 -0.25 0.00 0.00 -1.54 0.00 0.00 39.78 38.49 1trg n ASN 87 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1trg n GLY 88 N 1.13 0.49 3.84 7.41 0.00 0.62 -4.90 105.19 113.79 1trg n GLY 88 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1trg n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1trg s ASP 89 N -2.19 6.75 0.00 1.61 1.01 -1.26 -1.56 116.67 121.03 1trg s ASP 89 Ca 0.00 1.44 0.02 0.00 0.71 0.00 0.00 52.55 54.71 1trg s ASP 89 Cb 0.00 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.48 1trg s ASP 89 CO 0.00 -0.36 0.25 0.18 0.21 0.00 0.00 175.17 175.44 1trg n LEU 90 N -0.86 0.47 0.00 1.23 4.77 -0.94 -0.97 117.00 120.69 1trg n LEU 90 Ca 0.05 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 1trg n LEU 90 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1trg n LEU 90 CO 0.42 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1trg n GLY 91 N 0.71 -3.48 2.64 -0.72 0.00 -1.26 -0.68 105.19 102.40 1trg n GLY 91 Ca 0.01 -1.92 -0.21 0.00 0.00 0.00 0.00 46.02 43.90 1trg n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1trg n PRO 92 N -0.29 1.95 -0.06 1.61 -0.04 -1.26 -4.84 135.00 132.07 1trg n PRO 92 Ca 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1trg n PRO 92 Cb 0.00 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1trg n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1trg n VAL 93 N 4.27 0.00 -0.01 0.52 0.24 -1.26 -4.47 118.33 117.61 1trg n VAL 93 Ca 0.42 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.71 1trg n VAL 93 Cb 0.12 -1.93 -0.00 0.00 -1.47 0.00 0.00 33.84 30.56 1trg n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1trg n TYR 94 N -1.48 -0.02 -0.20 6.34 4.01 -1.26 -1.19 117.16 123.36 1trg n TYR 94 Ca 0.00 0.04 -0.01 0.00 -0.16 0.00 0.00 57.90 57.78 1trg n TYR 94 Cb 0.00 -0.18 0.07 0.00 -0.31 0.00 0.00 39.34 38.91 1trg n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1trg h GLY 95 N 0.00 0.49 1.00 2.72 0.00 -1.75 -0.42 103.07 105.11 1trg h GLY 95 Ca 0.01 0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.48 1trg h GLY 95 CO -0.03 -0.22 0.34 1.70 0.00 0.00 0.00 176.54 178.32 1trg h LYS 96 N 0.03 0.95 -0.11 4.80 1.63 -1.26 -1.71 116.57 120.91 1trg h LYS 96 Ca 0.30 -0.13 -0.16 0.00 -0.85 0.00 0.00 60.65 59.80 1trg h LYS 96 Cb 0.47 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.91 1trg h LYS 96 CO -0.60 0.74 -0.63 1.96 -3.45 0.00 0.00 179.45 177.47 1trg h GLN 97 N 0.93 0.39 -0.20 1.90 1.08 -1.17 0.31 115.11 118.35 1trg h GLN 97 Ca 0.23 -0.28 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1trg h GLN 97 Cb 0.09 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1trg h GLN 97 CO -0.03 0.90 -0.01 -1.49 -0.95 0.00 0.00 178.83 177.24 1trg h TRP 98 N 0.28 0.40 0.00 2.96 4.06 -0.94 -3.23 115.95 119.49 1trg h TRP 98 Ca -0.01 -0.07 -0.15 0.00 2.06 0.00 0.00 58.89 60.71 1trg h TRP 98 Cb 1.17 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 29.21 1trg h TRP 98 CO 0.04 0.57 -1.80 0.54 -3.56 0.00 0.00 178.44 174.22 1trg n ARG 99 N -4.68 0.65 -2.90 0.49 5.12 -0.66 -0.70 116.66 113.98 1trg n ARG 99 Ca -0.04 0.03 -0.13 0.00 -1.93 0.00 0.00 57.85 55.78 1trg n ARG 99 Cb 0.24 -1.65 0.03 0.00 -1.16 0.00 0.00 32.46 29.92 1trg n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1trg n ALA 100 N -2.42 1.60 -1.64 7.54 0.00 0.11 -3.74 120.51 121.96 1trg n ALA 100 Ca -0.13 -2.64 -0.43 0.00 0.00 0.00 0.00 53.44 50.24 1trg n ALA 100 Cb 0.81 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 1trg n ALA 100 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1trg n TRP 101 N 0.11 2.30 -2.55 0.00 -0.00 -0.53 -4.58 117.44 112.19 1trg n TRP 101 Ca 0.14 -0.25 -0.42 0.00 -0.00 0.00 0.00 57.50 56.96 1trg n TRP 101 Cb 0.73 -2.76 -0.03 0.00 -0.00 0.00 0.00 31.31 29.25 1trg n TRP 101 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1trg s PRO 102 N 5.07 4.44 0.51 5.87 0.04 -1.26 -0.55 135.00 149.13 1trg s PRO 102 Ca 0.94 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 63.54 1trg s PRO 102 Cb -0.44 -3.47 -0.00 0.00 0.04 0.00 0.00 34.50 30.63 1trg s PRO 102 CO 0.41 -0.27 0.78 0.95 0.04 0.00 0.00 177.00 178.91 1trg s THR 103 N 1.53 3.95 0.33 1.26 -4.23 0.36 -4.99 115.64 113.85 1trg s THR 103 Ca 0.54 -0.22 0.04 0.00 -1.18 0.00 0.00 61.69 60.87 1trg s THR 103 Cb -0.24 -3.51 0.16 0.00 1.34 0.00 0.00 72.50 70.25 1trg s THR 103 CO 0.25 -0.44 1.87 -0.65 -0.54 0.00 0.00 174.62 175.11 1trg h PRO 104 N 0.14 0.54 -0.90 3.99 0.11 -1.96 -2.75 132.00 131.17 1trg h PRO 104 Ca -0.46 -0.11 -0.04 0.00 0.11 0.00 0.00 66.00 65.49 1trg h PRO 104 Cb 1.25 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1trg h PRO 104 CO 0.59 0.56 0.05 -0.40 -0.21 0.00 0.00 178.00 178.60 1trg n ASP 105 N -4.28 2.70 0.00 -2.05 5.75 -1.26 -4.89 116.55 112.53 1trg n ASP 105 Ca 0.02 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.44 1trg n ASP 105 Cb 0.24 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 1trg n ASP 105 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1trg n GLY 106 N 0.14 1.96 3.88 6.12 0.00 -1.04 -5.05 105.19 111.20 1trg n GLY 106 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1trg n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1trg s ARG 107 N -0.38 2.06 -0.05 1.61 0.52 -1.26 -4.80 118.95 116.65 1trg s ARG 107 Ca 0.00 0.23 0.02 0.00 -0.52 0.00 0.00 55.73 55.46 1trg s ARG 107 Cb 0.00 -1.95 0.01 0.00 0.52 0.00 0.00 34.95 33.53 1trg s ARG 107 CO 0.00 -1.55 -0.09 -1.01 0.02 0.00 0.00 175.30 172.67 1trg s HIS 108 N -3.48 1.14 -0.18 -0.53 3.76 -1.26 -0.49 115.29 114.24 1trg s HIS 108 Ca 0.61 -0.37 -0.05 0.00 -0.15 0.00 0.00 55.06 55.10 1trg s HIS 108 Cb -0.12 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 32.68 1trg s HIS 108 CO 0.50 -0.22 0.00 0.42 -0.85 0.00 0.00 174.74 174.60 1trg s ILE 109 N 0.67 4.14 -0.50 0.60 1.01 0.29 -4.86 121.20 122.54 1trg s ILE 109 Ca -0.12 -0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.08 1trg s ILE 109 Cb -0.14 -2.85 0.06 0.00 0.01 0.00 0.00 42.46 39.53 1trg s ILE 109 CO 0.02 0.45 0.62 -0.62 0.00 0.00 0.00 174.94 175.42 1trg s ASP 110 N 0.67 6.23 0.24 3.58 -1.08 -1.25 -1.45 116.67 123.61 1trg s ASP 110 Ca 0.00 -0.88 0.04 0.00 -0.52 0.00 0.00 52.55 51.19 1trg s ASP 110 Cb -0.14 -2.29 0.27 0.00 -1.46 0.00 0.00 42.92 39.30 1trg s ASP 110 CO 0.02 -0.88 1.58 1.56 0.52 0.00 0.00 175.17 177.97 1trg h GLN 111 N 8.98 0.29 -0.28 4.34 4.20 -1.16 -2.39 115.11 129.09 1trg h GLN 111 Ca -0.27 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.20 1trg h GLN 111 Cb 1.10 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 1trg h GLN 111 CO 0.96 0.77 -0.03 0.82 -0.67 0.00 0.00 178.83 180.68 1trg h ILE 112 N 0.22 1.27 -0.53 2.54 1.08 -1.90 0.60 117.51 120.78 1trg h ILE 112 Ca 0.00 -0.99 -0.02 0.00 -0.39 0.00 0.00 64.86 63.45 1trg h ILE 112 Cb 1.05 1.36 -0.02 0.00 -3.07 0.00 0.00 36.82 36.14 1trg h ILE 112 CO 0.09 0.32 0.24 0.74 -0.69 0.00 0.00 178.15 178.84 1trg h THR 113 N 0.28 1.21 -0.54 -0.27 2.02 -1.89 -0.48 112.91 113.25 1trg h THR 113 Ca 0.08 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.65 1trg h THR 113 Cb 0.47 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1trg h THR 113 CO 0.02 0.24 0.35 0.74 0.37 0.00 0.00 175.52 177.24 1trg h THR 114 N 0.72 1.12 -0.42 3.16 2.02 -1.26 -1.26 112.91 116.98 1trg h THR 114 Ca 0.18 -0.24 0.01 0.00 0.77 0.00 0.00 66.41 67.13 1trg h THR 114 Cb 0.15 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 1trg h THR 114 CO -0.02 0.13 0.26 0.58 0.37 0.00 0.00 175.52 176.84 1trg h VAL 115 N 0.70 1.07 -0.70 3.16 2.07 -0.29 -0.83 116.25 121.43 1trg h VAL 115 Ca 0.20 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1trg h VAL 115 Cb -0.06 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 1trg h VAL 115 CO -0.06 0.10 0.42 -0.07 0.02 0.00 0.00 177.57 177.98 1trg h LEU 116 N 0.52 0.67 -0.83 2.57 3.38 -0.57 0.58 115.31 121.63 1trg h LEU 116 Ca 0.16 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1trg h LEU 116 Cb -0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1trg h LEU 116 CO -0.06 0.45 0.10 0.78 0.09 0.00 0.00 178.44 179.80 1trg h ASN 117 N 0.80 0.93 -0.37 -0.43 2.35 -0.77 -1.50 115.58 116.60 1trg h ASN 117 Ca 0.29 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 1trg h ASN 117 Cb 0.09 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1trg h ASN 117 CO -0.14 0.93 -0.15 1.56 -1.65 0.00 0.00 177.43 177.99 1trg h GLN 118 N 0.93 0.75 -0.57 0.81 4.20 -0.16 0.47 115.11 121.53 1trg h GLN 118 Ca 0.19 -0.32 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 1trg h GLN 118 Cb 0.40 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1trg h GLN 118 CO 0.01 0.93 0.16 -0.07 -0.67 0.00 0.00 178.83 179.18 1trg h LEU 119 N 0.55 0.81 0.04 1.46 3.38 -0.77 0.40 115.31 121.17 1trg h LEU 119 Ca 0.09 -0.14 -0.24 0.00 0.09 0.00 0.00 57.88 57.67 1trg h LEU 119 Cb 0.69 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1trg h LEU 119 CO 0.05 0.78 -1.19 0.11 0.09 0.00 0.00 178.44 178.28 1trg h LYS 120 N 0.85 0.08 0.00 1.13 1.57 -1.17 -3.33 116.57 115.69 1trg h LYS 120 Ca 0.19 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1trg h LYS 120 Cb 0.28 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1trg h LYS 120 CO -0.00 0.99 -1.10 0.09 -0.57 0.00 0.00 179.45 178.86 1trg n ASN 121 N -3.36 1.38 -2.84 0.86 3.02 0.15 -4.81 115.26 109.66 1trg n ASN 121 Ca -0.05 -0.38 -0.11 0.00 -0.03 0.00 0.00 54.58 54.01 1trg n ASN 121 Cb 0.98 1.30 0.04 0.00 -0.61 0.00 0.00 39.78 41.50 1trg n ASN 121 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1trg n ASP 122 N -1.63 -1.89 0.32 6.41 2.03 0.14 -5.00 116.55 116.93 1trg n ASP 122 Ca -0.00 -3.38 0.20 0.00 0.52 0.00 0.00 54.79 52.13 1trg n ASP 122 Cb 0.26 1.32 1.07 0.00 -0.72 0.00 0.00 41.12 43.05 1trg n ASP 122 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1trg h PRO 123 N 3.46 0.00 -0.02 -0.67 0.13 -1.62 -1.22 132.00 132.05 1trg h PRO 123 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1trg h PRO 123 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1trg h PRO 123 CO 0.28 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.80 1trg n ASP 124 N -2.96 1.02 -4.76 1.44 8.00 -1.26 -4.01 116.55 114.02 1trg n ASP 124 Ca -0.03 -1.36 -0.41 0.00 0.71 0.00 0.00 54.79 53.70 1trg n ASP 124 Cb 0.15 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1trg n ASP 124 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1trg s SER 125 N -1.96 6.48 -0.07 -2.24 0.15 -0.46 -4.89 113.70 110.70 1trg s SER 125 Ca 0.40 2.89 0.19 0.00 0.70 0.00 0.00 55.95 60.13 1trg s SER 125 Cb 0.21 -2.65 0.66 0.00 -1.71 0.00 0.00 66.02 62.54 1trg s SER 125 CO 0.34 -0.80 1.56 0.54 1.20 0.00 0.00 173.24 176.08 1trg n ARG 126 N 1.45 3.23 -0.55 5.44 1.74 -1.26 -4.26 116.66 122.45 1trg n ARG 126 Ca 0.04 -2.65 0.07 0.00 -0.77 0.00 0.00 57.85 54.54 1trg n ARG 126 Cb 0.39 -1.75 0.19 0.00 -1.02 0.00 0.00 32.46 30.28 1trg n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1trg n ARG 127 N 1.26 1.47 -2.90 5.56 1.74 -1.26 -4.94 116.66 117.60 1trg n ARG 127 Ca 0.24 -3.13 -0.44 0.00 -0.77 0.00 0.00 57.85 53.75 1trg n ARG 127 Cb 0.75 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 30.65 1trg n ARG 127 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1trg s ILE 128 N -3.04 4.79 0.10 0.55 1.01 -1.26 -4.95 121.20 118.39 1trg s ILE 128 Ca 0.37 -2.04 0.07 0.00 0.00 0.00 0.00 60.65 59.04 1trg s ILE 128 Cb 0.35 -4.88 -0.03 0.00 0.01 0.00 0.00 42.46 37.91 1trg s ILE 128 CO -0.06 -1.61 -0.18 -0.63 0.00 0.00 0.00 174.94 172.46 1trg s ILE 129 N 2.39 1.48 -0.06 2.92 1.01 -1.26 -0.86 121.20 126.82 1trg s ILE 129 Ca 0.39 -1.50 0.02 0.00 0.00 0.00 0.00 60.65 59.55 1trg s ILE 129 Cb -0.03 -1.41 0.02 0.00 0.01 0.00 0.00 42.46 41.05 1trg s ILE 129 CO -0.04 -0.17 -0.09 -0.69 0.00 0.00 0.00 174.94 173.96 1trg s VAL 130 N -1.35 0.90 -0.05 2.92 1.01 -0.74 -4.91 120.40 118.18 1trg s VAL 130 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1trg s VAL 130 Cb -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1trg s VAL 130 CO 0.04 0.31 -0.15 -0.55 0.00 0.00 0.00 175.10 174.75 1trg s SER 131 N 0.87 1.95 0.00 3.32 0.15 -1.26 -1.63 113.70 117.10 1trg s SER 131 Ca -0.11 -0.32 0.21 0.00 0.70 0.00 0.00 55.95 56.42 1trg s SER 131 Cb -0.15 -0.68 -0.06 0.00 -1.71 0.00 0.00 66.02 63.42 1trg s SER 131 CO 0.01 0.10 0.99 0.00 1.20 0.00 0.00 173.24 175.54 1trg n ALA 132 N 3.40 3.73 -2.18 5.45 0.00 -0.04 -4.69 120.51 126.18 1trg n ALA 132 Ca -0.20 -0.61 -0.42 0.00 0.00 0.00 0.00 53.44 52.22 1trg n ALA 132 Cb 0.53 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 1trg n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1trg n TRP 133 N -0.37 4.00 -2.94 0.00 -0.00 -1.21 -4.86 117.44 112.04 1trg n TRP 133 Ca 0.07 -2.73 -0.44 0.00 -0.00 0.00 0.00 57.50 54.41 1trg n TRP 133 Cb 0.41 -2.56 -0.04 0.00 -0.00 0.00 0.00 31.31 29.12 1trg n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1trg s ASN 134 N 4.09 6.33 0.26 5.87 3.84 -1.26 -4.89 114.94 129.18 1trg s ASN 134 Ca 0.53 -1.45 -0.02 0.00 0.21 0.00 0.00 52.86 52.13 1trg s ASN 134 Cb 0.08 -2.38 0.57 0.00 -0.55 0.00 0.00 41.25 38.96 1trg s ASN 134 CO 0.03 -1.24 1.68 0.58 -2.79 0.00 0.00 177.10 175.36 1trg h VAL 135 N 5.89 0.45 0.00 -5.21 2.07 -2.01 0.41 116.25 117.85 1trg h VAL 135 Ca -0.14 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1trg h VAL 135 Cb 1.06 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1trg h VAL 135 CO 1.13 0.05 0.00 0.61 0.02 0.00 0.00 177.57 179.38 1trg n GLY 136 N -1.36 -0.67 0.00 2.17 0.00 -1.26 -3.06 105.19 101.01 1trg n GLY 136 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1trg n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1trg n GLU 137 N -1.21 0.66 -0.30 1.61 1.02 0.09 -4.82 120.64 117.69 1trg n GLU 137 Ca 0.08 -0.69 0.06 0.00 -0.02 0.00 0.00 57.16 56.58 1trg n GLU 137 Cb 0.10 -0.76 0.26 0.00 -0.02 0.00 0.00 31.44 31.02 1trg n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1trg h LEU 138 N 0.00 0.87 -2.21 -4.62 3.38 -1.35 -1.39 115.31 109.99 1trg h LEU 138 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1trg h LEU 138 Cb 0.53 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1trg h LEU 138 CO 0.00 0.53 -0.01 -2.24 0.09 0.00 0.00 178.44 176.81 1trg h ASP 139 N 0.97 0.00 0.32 -0.43 2.03 -1.87 -2.04 116.42 115.40 1trg h ASP 139 Ca 0.41 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.71 1trg h ASP 139 Cb 0.31 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1trg h ASP 139 CO -0.17 0.01 -0.59 0.29 -1.03 0.00 0.00 179.24 177.75 1trg n LYS 140 N -3.12 0.16 -2.93 4.15 5.02 -0.53 -4.92 118.16 115.99 1trg n LYS 140 Ca -0.01 -0.11 -0.40 0.00 -2.02 0.00 0.00 58.31 55.77 1trg n LYS 140 Cb 0.19 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 1trg n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1trg s MET 141 N -2.91 4.58 0.35 1.97 -1.94 -0.77 -4.31 119.30 116.27 1trg s MET 141 Ca 0.12 1.19 0.08 0.00 -1.71 0.00 0.00 55.69 55.37 1trg s MET 141 Cb 0.17 -3.31 0.66 0.00 2.01 0.00 0.00 34.83 34.36 1trg s MET 141 CO 0.71 0.43 1.85 0.00 -0.01 0.00 0.00 175.02 178.00 1trg h ALA 142 N 4.91 1.37 -2.66 3.03 0.00 -1.21 -3.42 119.26 121.28 1trg h ALA 142 Ca -0.45 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.07 1trg h ALA 142 Cb 1.21 -0.10 -0.27 0.00 0.00 0.00 0.00 17.79 18.63 1trg h ALA 142 CO 0.68 0.43 -0.31 -1.17 0.00 0.00 0.00 179.25 178.89 1trg s LEU 143 N -8.66 -0.09 0.37 0.00 2.96 -1.26 -5.07 118.68 106.92 1trg s LEU 143 Ca -0.05 0.87 -0.28 0.00 -0.22 0.00 0.00 54.13 54.45 1trg s LEU 143 Cb 0.15 1.31 -0.11 0.00 0.50 0.00 0.00 46.19 48.04 1trg s LEU 143 CO 0.75 -0.19 1.43 0.00 -1.32 0.00 0.00 176.35 177.02 1trg s ALA 144 N 1.45 3.53 -0.12 5.97 0.00 -1.26 -4.88 121.76 126.45 1trg s ALA 144 Ca -0.09 1.48 -0.37 0.00 0.00 0.00 0.00 51.96 52.98 1trg s ALA 144 Cb -0.09 -3.57 -0.14 0.00 0.00 0.00 0.00 23.12 19.32 1trg s ALA 144 CO -0.13 -0.95 1.73 -2.30 0.00 0.00 0.00 175.76 174.12 1trg n PRO 145 N 0.51 1.64 -0.02 0.00 -0.02 -1.26 -4.91 135.00 130.95 1trg n PRO 145 Ca 0.01 0.60 -0.07 0.00 -2.02 0.00 0.00 63.50 62.01 1trg n PRO 145 Cb 0.40 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.47 1trg n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1trg s HIS 147 N -2.30 2.76 -0.03 0.00 0.00 -1.26 -1.38 115.29 113.08 1trg s HIS 147 Ca -0.09 -0.61 0.19 0.00 -3.00 0.00 0.00 55.06 51.55 1trg s HIS 147 Cb -0.01 -4.19 -0.29 0.00 -4.00 0.00 0.00 32.58 24.09 1trg s HIS 147 CO 0.34 -1.53 0.42 0.00 -1.00 0.00 0.00 174.74 172.96 1trg n ALA 148 N 7.34 2.71 -3.66 -1.38 0.00 -1.03 -4.82 120.51 119.67 1trg n ALA 148 Ca -0.05 -0.45 -0.07 0.00 0.00 0.00 0.00 53.44 52.87 1trg n ALA 148 Cb 0.45 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 19.17 1trg n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1trg s PHE 149 N -3.31 -0.95 0.06 0.00 2.19 -1.21 -0.86 117.98 113.90 1trg s PHE 149 Ca -0.07 1.88 0.01 0.00 0.33 0.00 0.00 56.93 59.09 1trg s PHE 149 Cb 0.12 0.53 -0.03 0.00 -1.31 0.00 0.00 43.02 42.33 1trg s PHE 149 CO 0.79 -0.49 -0.06 -0.59 1.83 0.00 0.00 175.22 176.69 1trg s PHE 150 N 1.79 0.69 -0.01 10.12 -0.71 -0.65 -0.26 117.98 128.96 1trg s PHE 150 Ca -0.09 -0.71 0.02 0.00 -1.04 0.00 0.00 56.93 55.12 1trg s PHE 150 Cb -0.07 -0.42 -0.01 0.00 -1.21 0.00 0.00 43.02 41.31 1trg s PHE 150 CO -0.17 -0.15 -0.07 -1.14 -1.34 0.00 0.00 175.22 172.35 1trg s GLN 151 N -2.59 0.57 0.13 1.99 0.74 -0.29 -1.79 119.66 118.41 1trg s GLN 151 Ca -0.01 -0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.17 1trg s GLN 151 Cb -0.03 -0.55 -0.04 0.00 1.10 0.00 0.00 33.01 33.50 1trg s GLN 151 CO -0.03 0.15 0.23 -0.06 -0.55 0.00 0.00 175.29 175.04 1trg s PHE 152 N -0.16 3.43 -0.04 1.67 0.08 -0.04 -0.64 117.98 122.29 1trg s PHE 152 Ca 0.03 0.13 -0.05 0.00 0.12 0.00 0.00 56.93 57.15 1trg s PHE 152 Cb -0.03 -1.66 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 1trg s PHE 152 CO -0.00 0.53 0.14 -0.47 -0.10 0.00 0.00 175.22 175.32 1trg s TYR 153 N -1.67 -0.10 -0.12 0.36 5.04 -0.20 -4.54 117.35 116.12 1trg s TYR 153 Ca 0.34 0.25 0.01 0.00 -2.44 0.00 0.00 57.07 55.22 1trg s TYR 153 Cb -0.11 0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.24 1trg s TYR 153 CO 0.27 -0.13 -0.12 0.08 -1.34 0.00 0.00 175.55 174.31 1trg s VAL 154 N -0.30 1.33 -0.15 3.14 1.01 -1.26 -0.18 120.40 124.00 1trg s VAL 154 Ca -0.04 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.33 1trg s VAL 154 Cb -0.03 -1.27 0.05 0.00 0.00 0.00 0.00 36.38 35.13 1trg s VAL 154 CO 0.00 0.42 0.37 0.00 0.00 0.00 0.00 175.10 175.89 1trg s ALA 155 N 1.37 -0.93 -1.50 5.51 0.00 -0.66 -4.80 121.76 120.74 1trg s ALA 155 Ca 0.01 1.22 -0.13 0.00 0.00 0.00 0.00 51.96 53.05 1trg s ALA 155 Cb -0.13 -0.73 0.07 0.00 0.00 0.00 0.00 23.12 22.33 1trg s ALA 155 CO -0.06 -0.21 1.02 -0.25 0.00 0.00 0.00 175.76 176.25 1trg n ASP 156 N 3.49 -5.04 -0.10 0.00 8.00 -1.26 -1.27 116.55 120.37 1trg n ASP 156 Ca -0.18 -0.74 -0.01 0.00 0.71 0.00 0.00 54.79 54.57 1trg n ASP 156 Cb 0.56 -4.08 -0.01 0.00 -0.02 0.00 0.00 41.12 37.58 1trg n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1trg n GLY 157 N -1.75 0.37 3.44 0.44 0.00 -1.26 -4.99 105.19 101.45 1trg n GLY 157 Ca 0.03 -0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1trg n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1trg s LYS 158 N -1.24 2.11 -0.24 1.61 1.02 -0.40 -1.31 119.74 121.29 1trg s LYS 158 Ca 0.00 -0.95 -0.09 0.00 0.02 0.00 0.00 55.97 54.94 1trg s LYS 158 Cb 0.00 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.08 1trg s LYS 158 CO 0.00 0.55 0.13 -1.17 -0.92 0.00 0.00 175.35 173.94 1trg s LEU 159 N -1.28 3.93 0.33 3.17 2.96 0.51 -1.65 118.68 126.64 1trg s LEU 159 Ca 0.14 0.03 0.09 0.00 -0.22 0.00 0.00 54.13 54.17 1trg s LEU 159 Cb -0.10 -2.05 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 1trg s LEU 159 CO 0.04 0.05 0.01 -0.44 -1.32 0.00 0.00 176.35 174.69 1trg s SER 160 N 1.14 4.22 -0.16 3.68 0.01 0.74 0.81 113.70 124.14 1trg s SER 160 Ca 0.06 -0.95 -0.13 0.00 1.31 0.00 0.00 55.95 56.25 1trg s SER 160 Cb -0.14 -0.56 0.05 0.00 0.21 0.00 0.00 66.02 65.58 1trg s SER 160 CO 0.05 -0.20 0.42 0.00 0.41 0.00 0.00 173.24 173.92 1trg s GLN 162 N 0.71 3.16 -0.13 0.00 0.74 0.19 -0.68 119.66 123.65 1trg s GLN 162 Ca -0.04 -0.81 -0.03 0.00 0.05 0.00 0.00 55.36 54.54 1trg s GLN 162 Cb -0.05 -2.45 -0.03 0.00 1.10 0.00 0.00 33.01 31.58 1trg s GLN 162 CO -0.05 0.14 -0.03 -1.17 -0.55 0.00 0.00 175.29 173.63 1trg s LEU 163 N 0.47 3.33 -0.37 3.68 2.96 -0.33 -1.14 118.68 127.26 1trg s LEU 163 Ca -0.14 -0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 53.63 1trg s LEU 163 Cb -0.17 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.77 1trg s LEU 163 CO 0.06 0.25 0.20 -0.47 -1.32 0.00 0.00 176.35 175.07 1trg s TYR 164 N -0.12 3.25 -0.38 5.38 5.04 0.64 -1.20 117.35 129.96 1trg s TYR 164 Ca 0.03 -1.02 -0.11 0.00 -2.44 0.00 0.00 57.07 53.54 1trg s TYR 164 Cb -0.13 -2.44 0.03 0.00 0.35 0.00 0.00 41.96 39.78 1trg s TYR 164 CO 0.02 -0.66 0.21 -1.14 -1.34 0.00 0.00 175.55 172.64 1trg s GLN 165 N 1.54 2.78 0.31 4.97 0.74 0.29 -2.47 119.66 127.82 1trg s GLN 165 Ca 0.02 -1.13 -0.00 0.00 0.05 0.00 0.00 55.36 54.29 1trg s GLN 165 Cb -0.19 -3.72 0.50 0.00 1.10 0.00 0.00 33.01 30.70 1trg s GLN 165 CO 0.06 -0.73 1.96 0.07 -0.55 0.00 0.00 175.29 176.11 1trg h ARG 166 N 8.42 0.96 -3.74 1.67 0.11 -1.52 0.20 114.38 120.48 1trg h ARG 166 Ca -0.25 -0.08 -0.32 0.00 0.10 0.00 0.00 59.98 59.43 1trg h ARG 166 Cb 1.10 -0.21 -0.33 0.00 1.11 0.00 0.00 29.97 31.65 1trg h ARG 166 CO 0.67 0.67 -0.74 0.45 0.10 0.00 0.00 179.97 181.12 1trg s SER 167 N -6.40 0.32 -0.11 0.08 0.15 -1.26 -0.64 113.70 105.85 1trg s SER 167 Ca -0.11 -0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 1trg s SER 167 Cb 0.17 -0.16 0.03 0.00 -1.71 0.00 0.00 66.02 64.36 1trg s SER 167 CO 0.78 -0.08 -0.03 0.00 1.20 0.00 0.00 173.24 175.12 1trg s ASP 169 N 1.84 6.33 0.27 0.00 -1.08 -1.26 -1.23 116.67 121.54 1trg s ASP 169 Ca 0.04 -1.18 0.01 0.00 -0.52 0.00 0.00 52.55 50.90 1trg s ASP 169 Cb -0.13 -2.48 0.61 0.00 -1.46 0.00 0.00 42.92 39.46 1trg s ASP 169 CO -0.07 -1.47 1.74 0.58 0.52 0.00 0.00 175.17 176.47 1trg h VAL 170 N 6.12 0.64 0.08 1.11 2.07 -1.57 -0.81 116.25 123.88 1trg h VAL 170 Ca -0.10 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1trg h VAL 170 Cb 1.04 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1trg h VAL 170 CO 1.24 0.10 -0.04 0.15 0.02 0.00 0.00 177.57 179.04 1trg h PHE 171 N 0.54 -0.10 0.03 1.57 3.57 -1.91 -3.35 116.94 117.28 1trg h PHE 171 Ca 0.50 -0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.78 1trg h PHE 171 Cb 0.81 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1trg h PHE 171 CO -0.11 0.40 -1.16 -0.07 -2.23 0.00 0.00 178.31 175.15 1trg h LEU 172 N -0.92 0.10 0.13 0.59 3.38 -1.96 -3.43 115.31 113.20 1trg h LEU 172 Ca -0.01 -0.68 -0.27 0.00 0.09 0.00 0.00 57.88 57.01 1trg h LEU 172 Cb 0.55 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.30 1trg h LEU 172 CO 0.02 1.47 -1.13 1.23 0.09 0.00 0.00 178.44 180.12 1trg h GLY 173 N -0.65 0.61 0.54 0.83 0.00 -1.44 -3.39 103.07 99.57 1trg h GLY 173 Ca -0.29 -1.32 0.07 0.00 0.00 0.00 0.00 47.33 45.79 1trg h GLY 173 CO -0.11 1.16 0.23 -2.00 0.00 0.00 0.00 176.54 175.82 1trg h LEU 174 N 0.11 0.27 -0.95 3.11 5.85 -1.42 -0.46 115.31 121.81 1trg h LEU 174 Ca -0.18 0.06 0.07 0.00 0.84 0.00 0.00 57.88 58.67 1trg h LEU 174 Cb 1.83 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.82 1trg h LEU 174 CO 0.22 0.18 0.60 -0.65 -0.34 0.00 0.00 178.44 178.44 1trg h PRO 175 N 0.43 1.04 -0.15 5.25 0.11 -1.78 -0.45 132.00 136.46 1trg h PRO 175 Ca 0.26 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.28 1trg h PRO 175 Cb 0.26 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 1trg h PRO 175 CO -0.24 0.69 -0.04 0.74 -0.21 0.00 0.00 178.00 178.94 1trg h PHE 176 N 1.08 0.32 -0.83 0.65 -1.00 -1.58 -2.74 116.94 112.83 1trg h PHE 176 Ca 0.42 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 61.12 1trg h PHE 176 Cb 0.21 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 39.66 1trg h PHE 176 CO -0.01 0.57 0.47 -0.91 -1.61 0.00 0.00 178.31 176.82 1trg h ASN 177 N -0.02 1.02 0.33 2.17 -0.26 -0.59 -0.09 115.58 118.13 1trg h ASN 177 Ca 0.04 -0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.68 1trg h ASN 177 Cb 0.47 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1trg h ASN 177 CO 0.01 0.81 -0.16 0.40 -1.06 0.00 0.00 177.43 177.43 1trg h ILE 178 N 1.14 0.67 -0.38 2.81 2.04 -1.14 -2.65 117.51 120.00 1trg h ILE 178 Ca 0.29 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1trg h ILE 178 Cb -0.00 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1trg h ILE 178 CO -0.05 0.09 0.15 0.00 0.00 0.00 0.00 178.15 178.34 1trg h ALA 179 N -0.19 0.45 -0.24 1.87 0.00 -1.44 -1.51 119.26 118.19 1trg h ALA 179 Ca -0.05 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.96 1trg h ALA 179 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1trg h ALA 179 CO 0.08 -0.24 -0.16 1.03 0.00 0.00 0.00 179.25 179.96 1trg h SER 180 N 0.31 -0.53 0.40 0.00 0.87 -1.04 -1.06 113.55 112.51 1trg h SER 180 Ca 0.17 0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.71 1trg h SER 180 Cb 0.13 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.35 1trg h SER 180 CO -0.16 -0.20 -0.58 1.88 -0.53 0.00 0.00 176.83 177.24 1trg h TYR 181 N -0.15 0.24 -0.54 2.24 -1.99 -1.27 -2.33 116.97 113.17 1trg h TYR 181 Ca 0.13 -0.09 -0.04 0.00 2.00 0.00 0.00 58.73 60.74 1trg h TYR 181 Cb 0.35 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 39.01 1trg h TYR 181 CO -0.33 0.72 0.16 0.00 -0.00 0.00 0.00 178.16 178.71 1trg h ALA 182 N 1.26 1.27 0.09 3.88 0.00 -0.83 -1.57 119.26 123.36 1trg h ALA 182 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1trg h ALA 182 Cb 1.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1trg h ALA 182 CO 0.09 0.52 -0.04 1.25 0.00 0.00 0.00 179.25 181.06 1trg h LEU 183 N 0.79 -0.10 -1.44 0.00 5.85 -0.96 -2.48 115.31 116.97 1trg h LEU 183 Ca 0.18 -0.21 0.11 0.00 0.84 0.00 0.00 57.88 58.80 1trg h LEU 183 Cb 0.24 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1trg h LEU 183 CO -0.01 0.16 0.50 0.25 -0.34 0.00 0.00 178.44 178.99 1trg h LEU 184 N -0.36 0.56 -0.36 2.25 5.85 -1.10 -0.89 115.31 121.25 1trg h LEU 184 Ca -0.01 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1trg h LEU 184 Cb 0.31 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1trg h LEU 184 CO 0.02 0.33 -0.01 0.58 -0.34 0.00 0.00 178.44 179.02 1trg h VAL 185 N 0.62 1.26 -0.70 1.05 2.07 -1.09 -0.30 116.25 119.15 1trg h VAL 185 Ca 0.35 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1trg h VAL 185 Cb 0.54 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1trg h VAL 185 CO -0.13 0.33 0.39 0.45 0.02 0.00 0.00 177.57 178.64 1trg h HIS 186 N 0.46 0.96 0.01 1.57 3.86 -0.77 0.11 115.15 121.35 1trg h HIS 186 Ca 0.10 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1trg h HIS 186 Cb 0.48 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.64 1trg h HIS 186 CO 0.04 0.67 -0.01 0.52 0.86 0.00 0.00 177.93 180.02 1trg h MET 187 N 0.97 -0.02 -0.65 2.45 2.07 -1.03 -0.64 114.93 118.08 1trg h MET 187 Ca 0.25 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.88 1trg h MET 187 Cb 0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.73 1trg h MET 187 CO -0.04 0.12 0.42 0.52 1.07 0.00 0.00 176.91 179.00 1trg h MET 188 N -0.15 0.86 -0.71 1.72 2.86 -0.81 -1.09 114.93 117.61 1trg h MET 188 Ca -0.00 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1trg h MET 188 Cb 0.15 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1trg h MET 188 CO 0.00 0.58 0.25 0.00 1.06 0.00 0.00 176.91 178.80 1trg h ALA 189 N 1.23 1.10 -0.19 6.32 0.00 -0.67 -1.14 119.26 125.91 1trg h ALA 189 Ca 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1trg h ALA 189 Cb -0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1trg h ALA 189 CO -0.05 0.62 0.02 0.37 0.00 0.00 0.00 179.25 180.22 1trg h GLN 190 N 1.04 0.32 -0.02 0.00 4.15 -0.52 0.11 115.11 120.19 1trg h GLN 190 Ca 0.23 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 1trg h GLN 190 Cb 0.25 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 1trg h GLN 190 CO -0.01 0.50 -0.13 1.96 -1.93 0.00 0.00 178.83 179.22 1trg h GLN 191 N 0.11 0.04 -0.59 1.69 1.08 -1.02 -2.73 115.11 113.68 1trg h GLN 191 Ca 0.06 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1trg h GLN 191 Cb 0.34 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1trg h GLN 191 CO 0.01 0.17 0.00 0.00 -0.95 0.00 0.00 178.83 178.05 1trg n ASP 193 N 1.38 -1.60 -4.37 0.00 8.00 -0.06 -5.00 116.55 114.89 1trg n ASP 193 Ca 0.21 -0.84 -0.19 0.00 0.71 0.00 0.00 54.79 54.67 1trg n ASP 193 Cb 0.58 -3.98 -0.10 0.00 -0.02 0.00 0.00 41.12 37.59 1trg n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1trg s LEU 194 N -6.63 2.56 0.43 0.64 1.43 0.20 -5.04 118.68 112.27 1trg s LEU 194 Ca 0.05 -1.03 -0.07 0.00 -1.03 0.00 0.00 54.13 52.05 1trg s LEU 194 Cb -0.01 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 1trg s LEU 194 CO 0.82 -0.14 0.75 -1.61 0.23 0.00 0.00 176.35 176.40 1trg s GLU 195 N -3.62 3.65 0.21 1.70 0.41 -0.43 -4.45 118.70 116.18 1trg s GLU 195 Ca 0.24 0.29 -0.29 0.00 -0.41 0.00 0.00 54.97 54.80 1trg s GLU 195 Cb -0.01 -2.41 -0.08 0.00 -1.78 0.00 0.00 34.13 29.84 1trg s GLU 195 CO 0.08 -0.08 0.92 0.14 -0.49 0.00 0.00 175.26 175.83 1trg s VAL 196 N -2.51 4.16 0.00 2.63 -7.23 -1.26 -0.37 120.40 115.83 1trg s VAL 196 Ca 0.49 2.03 0.00 0.00 -1.81 0.00 0.00 61.98 62.68 1trg s VAL 196 Cb -0.10 -4.30 0.00 0.00 0.56 0.00 0.00 36.38 32.54 1trg s VAL 196 CO 0.37 0.48 0.00 0.61 -0.31 0.00 0.00 175.10 176.26 1trg n GLY 197 N 1.59 0.78 3.66 2.32 0.00 0.24 -4.55 105.19 109.23 1trg n GLY 197 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1trg n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1trg s ASP 198 N -0.49 4.84 -0.25 1.61 1.01 -1.25 -1.42 116.67 120.72 1trg s ASP 198 Ca 0.00 -0.28 -0.03 0.00 0.71 0.00 0.00 52.55 52.95 1trg s ASP 198 Cb 0.00 -1.08 0.01 0.00 1.01 0.00 0.00 42.92 42.86 1trg s ASP 198 CO 0.00 0.15 -0.02 0.12 0.21 0.00 0.00 175.17 175.62 1trg s PHE 199 N -1.42 3.05 -0.28 4.23 5.36 0.26 -1.65 117.98 127.53 1trg s PHE 199 Ca 0.26 -1.25 -0.09 0.00 -0.96 0.00 0.00 56.93 54.89 1trg s PHE 199 Cb -0.11 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.43 1trg s PHE 199 CO 0.18 -0.64 0.12 0.08 -1.46 0.00 0.00 175.22 173.49 1trg s VAL 200 N 1.41 4.60 -0.20 3.12 1.01 0.14 -0.28 120.40 130.20 1trg s VAL 200 Ca 0.02 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 1trg s VAL 200 Cb -0.16 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1trg s VAL 200 CO -0.03 0.23 0.06 0.86 0.00 0.00 0.00 175.10 176.23 1trg s TRP 201 N 1.64 3.19 -0.12 5.22 -0.00 0.28 -1.19 118.94 127.96 1trg s TRP 201 Ca 0.06 -0.07 0.02 0.00 -0.00 0.00 0.00 56.10 56.11 1trg s TRP 201 Cb -0.16 -2.13 0.02 0.00 -0.00 0.00 0.00 33.47 31.20 1trg s TRP 201 CO 0.06 -0.00 -0.16 0.99 -0.00 0.00 0.00 176.95 177.84 1trg s THR 202 N 0.75 1.61 0.20 5.86 2.01 -0.34 -1.15 115.64 124.58 1trg s THR 202 Ca 0.03 -0.70 0.09 0.00 0.31 0.00 0.00 61.69 61.42 1trg s THR 202 Cb -0.13 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1trg s THR 202 CO 0.02 0.46 -0.06 -0.83 -0.69 0.00 0.00 174.62 173.52 1trg s GLY 203 N 1.05 1.72 0.00 4.40 0.00 0.49 -0.55 107.32 114.43 1trg s GLY 203 Ca -0.05 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1trg s GLY 203 CO -0.03 -1.54 0.00 0.61 0.00 0.00 0.00 173.10 172.14 1trg n GLY 204 N -0.22 0.42 3.56 0.20 0.00 0.70 -2.76 105.19 107.09 1trg n GLY 204 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1trg n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1trg s ASP 205 N -1.00 6.17 -0.26 1.61 -1.08 0.19 -1.64 116.67 120.66 1trg s ASP 205 Ca 0.00 -0.10 -0.09 0.00 -0.52 0.00 0.00 52.55 51.84 1trg s ASP 205 Cb 0.00 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.87 1trg s ASP 205 CO 0.00 -1.76 0.12 -0.89 0.52 0.00 0.00 175.17 173.16 1trg s THR 206 N 5.83 4.80 0.14 1.71 2.01 -0.28 -0.66 115.64 129.18 1trg s THR 206 Ca 0.43 -0.01 -0.06 0.00 0.31 0.00 0.00 61.69 62.36 1trg s THR 206 Cb -0.09 -3.25 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1trg s THR 206 CO 0.20 0.31 0.18 -1.38 -0.69 0.00 0.00 174.62 173.25 1trg s HIS 207 N 1.54 0.50 -0.15 4.92 -3.43 -0.37 -1.17 115.29 117.13 1trg s HIS 207 Ca 0.06 -0.89 0.02 0.00 -0.80 0.00 0.00 55.06 53.45 1trg s HIS 207 Cb -0.15 -0.20 0.02 0.00 -1.43 0.00 0.00 32.58 30.81 1trg s HIS 207 CO 0.06 -0.61 -0.20 -0.51 -2.00 0.00 0.00 174.74 171.48 1trg s LEU 208 N -2.97 2.06 0.37 5.38 1.43 -0.33 -1.26 118.68 123.37 1trg s LEU 208 Ca 0.17 -0.60 -0.26 0.00 -1.03 0.00 0.00 54.13 52.40 1trg s LEU 208 Cb 0.05 -1.42 -0.09 0.00 0.03 0.00 0.00 46.19 44.77 1trg s LEU 208 CO -0.02 0.03 1.19 -0.31 0.23 0.00 0.00 176.35 177.48 1trg s TYR 209 N 1.07 3.11 0.51 0.29 2.02 -1.26 -1.20 117.35 121.89 1trg s TYR 209 Ca -0.01 1.54 0.25 0.00 -0.37 0.00 0.00 57.07 58.48 1trg s TYR 209 Cb -0.14 -3.45 1.35 0.00 -0.40 0.00 0.00 41.96 39.31 1trg s TYR 209 CO -0.07 -1.37 1.95 0.66 -1.57 0.00 0.00 175.55 175.15 1trg h SER 210 N 2.91 0.09 -0.42 2.29 4.64 -1.25 -0.74 113.55 121.08 1trg h SER 210 Ca -0.49 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 60.70 1trg h SER 210 Cb 1.23 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 63.23 1trg h SER 210 CO 0.64 0.04 0.18 -0.46 -0.87 0.00 0.00 176.83 176.36 1trg n ASN 211 N -4.37 3.43 -0.03 4.97 6.94 -1.26 -3.49 115.26 121.45 1trg n ASN 211 Ca 0.13 -2.67 0.01 0.00 -0.02 0.00 0.00 54.58 52.03 1trg n ASN 211 Cb 0.69 -0.64 0.01 0.00 -2.36 0.00 0.00 39.78 37.48 1trg n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1trg n HIS 212 N -0.03 0.00 -0.09 -2.53 8.25 -0.28 -4.75 115.22 115.78 1trg n HIS 212 Ca 0.23 -0.36 -0.10 0.00 -0.26 0.00 0.00 57.72 57.23 1trg n HIS 212 Cb 0.94 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.98 1trg n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1trg h MET 213 N 0.00 0.45 -0.66 -0.41 2.86 -1.69 0.21 114.93 115.69 1trg h MET 213 Ca 0.00 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.48 1trg h MET 213 Cb 0.73 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 1trg h MET 213 CO 0.00 0.50 0.16 -0.44 1.06 0.00 0.00 176.91 178.19 1trg h ASP 214 N 0.30 1.01 -0.49 1.22 3.32 -1.88 -1.07 116.42 118.82 1trg h ASP 214 Ca 0.09 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 1trg h ASP 214 Cb 0.24 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1trg h ASP 214 CO -0.00 0.98 0.25 1.56 -1.72 0.00 0.00 179.24 180.31 1trg h GLN 215 N 0.99 0.70 -0.30 3.56 7.50 -1.88 -0.93 115.11 124.75 1trg h GLN 215 Ca 0.21 -0.09 -0.01 0.00 0.50 0.00 0.00 58.65 59.25 1trg h GLN 215 Cb 0.37 -0.13 -0.01 0.00 0.05 0.00 0.00 27.48 27.75 1trg h GLN 215 CO 0.00 0.57 0.13 1.15 -1.50 0.00 0.00 178.83 179.18 1trg h THR 216 N 0.65 1.17 -0.48 -0.54 2.02 -0.70 -0.76 112.91 114.27 1trg h THR 216 Ca 0.17 -0.51 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 1trg h THR 216 Cb 0.09 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1trg h THR 216 CO -0.02 0.18 0.08 0.45 0.37 0.00 0.00 175.52 176.57 1trg h HIS 217 N 0.35 0.77 -0.08 3.16 3.86 -1.00 -0.71 115.15 121.50 1trg h HIS 217 Ca 0.10 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1trg h HIS 217 Cb 0.16 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 1trg h HIS 217 CO -0.01 0.67 0.01 1.25 0.86 0.00 0.00 177.93 180.71 1trg h LEU 218 N 0.71 0.14 -1.07 2.43 5.85 -0.88 -3.09 115.31 119.40 1trg h LEU 218 Ca 0.15 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1trg h LEU 218 Cb 0.32 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1trg h LEU 218 CO 0.00 0.39 -0.03 -0.61 -0.34 0.00 0.00 178.44 177.86 1trg h GLN 219 N -0.12 0.63 0.00 1.25 4.15 -0.87 -2.51 115.11 117.64 1trg h GLN 219 Ca 0.02 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1trg h GLN 219 Cb 0.32 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1trg h GLN 219 CO 0.00 0.67 0.00 -0.07 -1.93 0.00 0.00 178.83 177.50 1trg h LEU 220 N 0.59 0.00 -0.13 -2.39 3.38 -1.09 -2.17 115.31 113.50 1trg h LEU 220 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1trg h LEU 220 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1trg h LEU 220 CO 0.02 0.00 -0.18 -1.54 0.09 0.00 0.00 178.44 176.83 1trg n SER 221 N -2.51 0.38 -4.89 -0.43 3.41 -0.94 -4.89 113.62 103.76 1trg n SER 221 Ca 0.01 -0.25 -0.31 0.00 -0.26 0.00 0.00 58.87 58.06 1trg n SER 221 Cb 0.21 -0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 1trg n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1trg s ARG 222 N -2.73 3.71 -0.10 4.33 0.52 -0.82 -5.08 118.95 118.78 1trg s ARG 222 Ca 0.21 0.09 -0.15 0.00 -0.52 0.00 0.00 55.73 55.36 1trg s ARG 222 Cb 0.19 -2.73 -0.05 0.00 0.52 0.00 0.00 34.95 32.88 1trg s ARG 222 CO 0.54 0.37 0.37 -1.21 0.02 0.00 0.00 175.30 175.39 1trg s GLU 223 N -2.82 4.12 0.30 3.54 0.41 -1.26 -5.03 118.70 117.97 1trg s GLU 223 Ca 0.44 0.28 -0.29 0.00 -0.41 0.00 0.00 54.97 54.99 1trg s GLU 223 Cb -0.12 -3.35 -0.10 0.00 -1.78 0.00 0.00 34.13 28.79 1trg s GLU 223 CO 0.23 0.39 1.32 -2.14 -0.49 0.00 0.00 175.26 174.58 1trg s PRO 224 N -0.07 4.36 0.28 0.39 0.02 -1.26 -4.76 135.00 133.96 1trg s PRO 224 Ca 0.21 2.19 0.06 0.00 0.02 0.00 0.00 61.00 63.48 1trg s PRO 224 Cb -0.15 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 1trg s PRO 224 CO 0.09 -0.21 0.41 1.03 -0.33 0.00 0.00 177.00 177.98 1trg s ARG 225 N -1.34 3.29 0.25 5.54 0.52 -1.26 -5.04 118.95 120.91 1trg s ARG 225 Ca 0.51 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 54.55 1trg s ARG 225 Cb -0.39 -2.86 -0.14 0.00 0.52 0.00 0.00 34.95 32.08 1trg s ARG 225 CO 0.49 0.27 1.07 -2.30 0.02 0.00 0.00 175.30 174.85 1trg n PRO 226 N -1.51 1.33 -2.19 3.54 -0.02 -1.26 -4.86 135.00 130.03 1trg n PRO 226 Ca -0.05 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.52 1trg n PRO 226 Cb 0.57 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.15 1trg n PRO 226 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1trg s LEU 227 N 0.51 4.14 0.95 2.45 1.43 -1.26 -4.85 118.68 122.05 1trg s LEU 227 Ca 0.63 2.45 -0.15 0.00 -1.03 0.00 0.00 54.13 56.04 1trg s LEU 227 Cb -0.74 -4.06 0.17 0.00 0.03 0.00 0.00 46.19 41.59 1trg s LEU 227 CO 0.57 -0.84 1.22 -2.16 0.23 0.00 0.00 176.35 175.37 1trg s PRO 228 N -2.41 0.81 -0.10 1.29 0.04 -1.26 -4.74 135.00 128.64 1trg s PRO 228 Ca 0.59 -0.07 0.01 0.00 0.04 0.00 0.00 61.00 61.57 1trg s PRO 228 Cb -0.33 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 1trg s PRO 228 CO 0.41 -2.35 -0.12 0.15 0.04 0.00 0.00 177.00 175.13 1trg s LYS 229 N -5.60 3.01 -0.13 4.56 -0.14 -0.03 -0.58 119.74 120.84 1trg s LYS 229 Ca 0.68 -0.65 -0.18 0.00 -1.36 0.00 0.00 55.97 54.46 1trg s LYS 229 Cb -0.09 -2.56 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 1trg s LYS 229 CO 0.53 0.43 0.46 -1.17 -0.76 0.00 0.00 175.35 174.84 1trg s LEU 230 N -0.20 4.26 -0.15 3.17 2.96 -1.26 0.12 118.68 127.59 1trg s LEU 230 Ca 0.01 0.77 0.02 0.00 -0.22 0.00 0.00 54.13 54.71 1trg s LEU 230 Cb -0.13 -2.67 0.01 0.00 0.50 0.00 0.00 46.19 43.91 1trg s LEU 230 CO 0.03 -0.01 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.22 1trg s ILE 231 N 0.71 1.93 -0.43 6.68 -1.09 0.21 -4.98 121.20 124.24 1trg s ILE 231 Ca 0.25 -0.89 -0.10 0.00 -2.23 0.00 0.00 60.65 57.68 1trg s ILE 231 Cb -0.15 -1.73 0.08 0.00 -1.58 0.00 0.00 42.46 39.07 1trg s ILE 231 CO 0.10 0.52 0.28 -0.63 -1.23 0.00 0.00 174.94 173.98 1trg s ILE 232 N 1.02 4.37 0.32 2.92 1.01 -1.26 -0.60 121.20 128.99 1trg s ILE 232 Ca -0.03 -1.34 -0.00 0.00 0.00 0.00 0.00 60.65 59.28 1trg s ILE 232 Cb -0.15 -3.66 0.26 0.00 0.01 0.00 0.00 42.46 38.93 1trg s ILE 232 CO -0.06 -0.51 1.98 0.11 0.00 0.00 0.00 174.94 176.46 1trg h LYS 233 N 8.45 0.99 -5.42 2.79 1.57 -1.37 -3.45 116.57 120.13 1trg h LYS 233 Ca -0.24 -0.06 -0.45 0.00 -1.87 0.00 0.00 60.65 58.04 1trg h LYS 233 Cb 1.09 -0.22 -0.14 0.00 0.08 0.00 0.00 32.23 33.03 1trg h LYS 233 CO 0.77 0.66 -0.69 0.50 -0.57 0.00 0.00 179.45 180.12 1trg s ARG 234 N -5.86 1.40 -0.36 3.15 3.52 -1.26 -5.11 118.95 114.44 1trg s ARG 234 Ca -0.11 -1.67 0.04 0.00 -0.13 0.00 0.00 55.73 53.86 1trg s ARG 234 Cb 0.18 -1.01 0.10 0.00 -1.56 0.00 0.00 34.95 32.66 1trg s ARG 234 CO 0.78 0.07 0.07 0.21 -0.81 0.00 0.00 175.30 175.62 1trg s LYS 235 N -3.72 1.50 1.09 5.12 2.20 -1.26 -5.08 119.74 119.58 1trg s LYS 235 Ca 0.26 -1.92 -0.12 0.00 -0.36 0.00 0.00 55.97 53.82 1trg s LYS 235 Cb 0.02 -3.18 0.24 0.00 -1.51 0.00 0.00 37.83 33.41 1trg s LYS 235 CO 0.09 -0.96 1.06 -2.14 -0.36 0.00 0.00 175.35 173.04 1trg s PRO 236 N 0.81 -0.32 0.33 4.03 0.02 -1.26 -4.94 135.00 133.67 1trg s PRO 236 Ca 0.12 0.87 0.03 0.00 0.02 0.00 0.00 61.00 62.03 1trg s PRO 236 Cb -0.20 -1.62 0.56 0.00 0.02 0.00 0.00 34.50 33.27 1trg s PRO 236 CO -0.08 -3.33 1.89 0.93 -0.33 0.00 0.00 177.00 176.08 1trg h GLU 237 N -2.34 0.65 -4.13 5.54 5.08 -2.00 -3.45 114.58 113.93 1trg h GLU 237 Ca -0.57 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 57.50 1trg h GLU 237 Cb 1.32 -0.11 -0.12 0.00 0.50 0.00 0.00 28.75 30.35 1trg h GLU 237 CO 0.51 0.60 -0.35 -1.54 -1.00 0.00 0.00 179.01 177.23 1trg s SER 238 N -6.66 0.17 0.62 1.42 1.04 -1.26 -5.02 113.70 104.01 1trg s SER 238 Ca -0.09 -1.21 0.39 0.00 0.48 0.00 0.00 55.95 55.53 1trg s SER 238 Cb 0.16 0.51 2.04 0.00 0.10 0.00 0.00 66.02 68.82 1trg s SER 238 CO 0.77 -1.03 2.24 -0.29 0.98 0.00 0.00 173.24 175.91 1trg h ILE 239 N 2.39 0.09 -0.12 -1.02 6.09 -1.95 -1.66 117.51 121.33 1trg h ILE 239 Ca -0.30 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.00 1trg h ILE 239 Cb 1.25 1.16 0.00 0.00 0.47 0.00 0.00 36.82 39.70 1trg h ILE 239 CO 0.43 0.01 0.00 0.49 -3.07 0.00 0.00 178.15 176.01 1trg n PHE 240 N -3.19 0.15 -0.74 2.19 3.72 -1.26 -4.18 117.46 114.15 1trg n PHE 240 Ca -0.02 -0.08 0.08 0.00 -0.05 0.00 0.00 57.45 57.38 1trg n PHE 240 Cb 0.15 0.00 0.21 0.00 -0.94 0.00 0.00 39.48 38.89 1trg n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1trg n ASP 241 N 0.32 3.39 -4.81 4.37 8.00 -0.62 -4.99 116.55 122.20 1trg n ASP 241 Ca 0.17 -2.72 -0.32 0.00 0.71 0.00 0.00 54.79 52.64 1trg n ASP 241 Cb 0.35 -0.43 0.03 0.00 -0.02 0.00 0.00 41.12 41.05 1trg n ASP 241 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1trg s TYR 242 N -2.28 3.02 0.10 1.24 1.51 -1.26 -4.84 117.35 114.84 1trg s TYR 242 Ca 0.34 1.48 0.05 0.00 -1.01 0.00 0.00 57.07 57.93 1trg s TYR 242 Cb 0.26 -2.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.12 1trg s TYR 242 CO 0.09 -1.20 -0.13 1.03 -1.11 0.00 0.00 175.55 174.24 1trg s ARG 243 N -4.52 0.92 0.25 -0.62 0.52 -1.26 -5.04 118.95 109.20 1trg s ARG 243 Ca 0.61 -1.15 -0.03 0.00 -0.52 0.00 0.00 55.73 54.64 1trg s ARG 243 Cb -0.15 -0.75 0.47 0.00 0.52 0.00 0.00 34.95 35.03 1trg s ARG 243 CO 0.45 0.14 1.75 0.35 0.02 0.00 0.00 175.30 178.02 1trg h PHE 244 N 3.69 0.63 -0.02 -0.53 3.57 -1.97 -0.62 116.94 121.69 1trg h PHE 244 Ca -0.39 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1trg h PHE 244 Cb 1.19 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 1trg h PHE 244 CO 0.64 0.14 0.07 1.05 -2.23 0.00 0.00 178.31 177.98 1trg h GLU 245 N 0.54 0.00 0.00 1.11 4.11 -2.03 -2.39 114.58 115.92 1trg h GLU 245 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 1trg h GLU 245 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1trg h GLU 245 CO -0.36 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.47 1trg n ASP 246 N -3.22 0.00 -4.71 3.06 8.00 -0.24 -4.80 116.55 114.63 1trg n ASP 246 Ca -0.02 0.40 -0.34 0.00 0.71 0.00 0.00 54.79 55.53 1trg n ASP 246 Cb 0.14 -0.46 -0.09 0.00 -0.02 0.00 0.00 41.12 40.70 1trg n ASP 246 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1trg s PHE 247 N -2.92 3.19 -0.03 1.24 0.08 -0.90 -0.91 117.98 117.72 1trg s PHE 247 Ca 0.12 0.20 -0.00 0.00 0.12 0.00 0.00 56.93 57.37 1trg s PHE 247 Cb 0.14 -1.78 0.03 0.00 -0.57 0.00 0.00 43.02 40.84 1trg s PHE 247 CO 0.37 0.50 0.01 -1.21 -0.10 0.00 0.00 175.22 174.79 1trg s GLU 248 N -1.10 0.24 -0.33 0.44 0.41 0.23 -4.97 118.70 113.62 1trg s GLU 248 Ca 0.15 0.13 -0.05 0.00 -0.41 0.00 0.00 54.97 54.79 1trg s GLU 248 Cb -0.11 -0.50 0.04 0.00 -1.78 0.00 0.00 34.13 31.78 1trg s GLU 248 CO 0.05 -0.18 0.09 0.42 -0.49 0.00 0.00 175.26 175.15 1trg s ILE 249 N 1.25 3.61 -0.14 -1.63 1.09 -1.26 0.68 121.20 124.80 1trg s ILE 249 Ca -0.07 -1.20 -0.16 0.00 -1.10 0.00 0.00 60.65 58.12 1trg s ILE 249 Cb -0.13 -3.06 -0.04 0.00 -1.06 0.00 0.00 42.46 38.16 1trg s ILE 249 CO -0.02 -0.18 0.39 -0.70 -0.10 0.00 0.00 174.94 174.34 1trg s GLU 250 N 1.37 4.29 -0.25 2.79 2.12 0.12 -4.41 118.70 124.74 1trg s GLU 250 Ca -0.02 0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.57 1trg s GLU 250 Cb -0.20 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.75 1trg s GLU 250 CO 0.02 0.17 0.19 0.41 -0.54 0.00 0.00 175.26 175.50 1trg n GLY 251 N 3.38 0.65 3.38 -1.50 0.00 -1.26 -0.85 105.19 109.00 1trg n GLY 251 Ca -0.09 -0.54 -0.45 0.00 0.00 0.00 0.00 46.02 44.94 1trg n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1trg s TYR 252 N -2.97 3.16 -0.61 1.61 5.04 -1.26 -4.30 117.35 118.02 1trg s TYR 252 Ca 0.09 -0.91 0.05 0.00 -2.44 0.00 0.00 57.07 53.86 1trg s TYR 252 Cb -0.04 -3.51 0.18 0.00 0.35 0.00 0.00 41.96 38.94 1trg s TYR 252 CO 0.11 -0.97 0.48 -3.47 -1.34 0.00 0.00 175.55 170.36 1trg n ASP 253 N 5.62 2.04 -4.91 4.32 2.03 -1.26 -5.11 116.55 119.27 1trg n ASP 253 Ca -0.11 -2.99 -0.28 0.00 0.52 0.00 0.00 54.79 51.94 1trg n ASP 253 Cb 0.43 -0.69 0.08 0.00 -0.72 0.00 0.00 41.12 40.22 1trg n ASP 253 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1trg s PRO 254 N -1.13 2.10 0.87 -0.67 0.04 -1.26 -4.92 135.00 130.02 1trg s PRO 254 Ca 0.29 -0.05 -0.12 0.00 0.04 0.00 0.00 61.00 61.16 1trg s PRO 254 Cb 0.00 -2.05 0.11 0.00 0.04 0.00 0.00 34.50 32.60 1trg s PRO 254 CO -0.16 -1.41 1.15 -1.01 0.04 0.00 0.00 177.00 175.61 1trg s HIS 255 N -3.42 2.69 0.64 0.56 3.76 0.47 -4.86 115.29 115.14 1trg s HIS 255 Ca 0.61 0.81 -0.18 0.00 -0.15 0.00 0.00 55.06 56.15 1trg s HIS 255 Cb -0.11 -3.43 -0.01 0.00 1.11 0.00 0.00 32.58 30.14 1trg s HIS 255 CO 0.47 -2.13 1.26 -2.14 -0.85 0.00 0.00 174.74 171.36 1trg s PRO 256 N -5.40 2.60 0.81 8.40 0.02 -1.26 -2.06 135.00 138.11 1trg s PRO 256 Ca 0.63 1.97 -0.12 0.00 0.02 0.00 0.00 61.00 63.50 1trg s PRO 256 Cb -0.13 -1.86 0.08 0.00 0.02 0.00 0.00 34.50 32.61 1trg s PRO 256 CO 0.52 -1.53 1.14 0.20 -0.33 0.00 0.00 177.00 176.99 1trg s GLY 257 N -1.52 1.86 -0.16 0.52 0.00 -1.26 -3.77 107.32 102.99 1trg s GLY 257 Ca 0.80 0.55 -0.01 0.00 0.00 0.00 0.00 44.72 46.07 1trg s GLY 257 CO 0.39 0.94 -0.05 -0.42 0.00 0.00 0.00 173.10 173.95 1trg s ILE 258 N -2.56 1.06 0.31 0.90 1.01 -1.26 -4.87 121.20 115.78 1trg s ILE 258 Ca 0.67 -0.56 -0.27 0.00 0.00 0.00 0.00 60.65 60.48 1trg s ILE 258 Cb -0.22 -1.22 -0.09 0.00 0.01 0.00 0.00 42.46 40.93 1trg s ILE 258 CO 0.53 0.16 1.00 -0.54 0.00 0.00 0.00 174.94 176.09 1trg s LYS 259 N 1.66 4.57 -0.14 2.79 1.02 -1.26 -5.05 119.74 123.33 1trg s LYS 259 Ca 0.01 1.52 -0.11 0.00 0.02 0.00 0.00 55.97 57.41 1trg s LYS 259 Cb -0.15 -2.95 0.04 0.00 -0.52 0.00 0.00 37.83 34.25 1trg s LYS 259 CO -0.08 0.23 0.36 0.00 -0.92 0.00 0.00 175.35 174.95 1trg s ALA 260 N -1.41 -0.90 0.41 5.17 0.00 -1.26 -4.96 121.76 118.81 1trg s ALA 260 Ca 0.48 1.14 -0.25 0.00 0.00 0.00 0.00 51.96 53.33 1trg s ALA 260 Cb -0.24 -0.67 -0.08 0.00 0.00 0.00 0.00 23.12 22.12 1trg s ALA 260 CO 0.31 -0.20 1.15 -1.25 0.00 0.00 0.00 175.76 175.77 1trg s PRO 261 N 0.55 4.01 -0.01 0.00 0.04 -1.26 -5.02 135.00 133.32 1trg s PRO 261 Ca -0.03 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 1trg s PRO 261 Cb -0.05 -2.60 -0.06 0.00 0.04 0.00 0.00 34.50 31.84 1trg s PRO 261 CO -0.03 -0.33 0.48 0.08 0.04 0.00 0.00 177.00 177.23 1trg s VAL 262 N -1.48 4.98 -0.30 -0.36 1.01 -1.26 -5.01 120.40 117.97 1trg s VAL 262 Ca 0.58 0.99 -0.25 0.00 0.00 0.00 0.00 61.98 63.31 1trg s VAL 262 Cb -0.29 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1trg s VAL 262 CO 0.36 0.51 0.85 0.00 0.00 0.00 0.00 175.10 176.81 1trg s ALA 263 N -0.67 3.54 -2.41 5.51 0.00 -1.26 -5.22 121.76 121.25 1trg s ALA 263 Ca 0.26 -0.32 0.29 0.00 0.00 0.00 0.00 51.96 52.18 1trg s ALA 263 Cb -0.17 -3.37 1.21 0.00 0.00 0.00 0.00 23.12 20.79 1trg s ALA 263 CO 0.14 -1.22 1.84 -0.89 0.00 0.00 0.00 175.76 175.63