#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yar s THR 2 N 0.00 0.56 0.11 12.58 2.01 -1.26 -0.98 115.64 128.66 1yar s THR 2 Ca 0.00 -0.06 0.05 0.00 0.31 0.00 0.00 61.69 62.00 1yar s THR 2 Cb 0.00 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 1yar s THR 2 CO 0.00 0.26 -0.13 0.42 -0.69 0.00 0.00 174.62 174.48 1yar s THR 3 N 1.44 1.22 0.00 -0.82 -4.23 -0.75 -2.48 115.64 110.00 1yar s THR 3 Ca -0.03 -1.69 -0.06 0.00 -1.18 0.00 0.00 61.69 58.74 1yar s THR 3 Cb -0.13 -1.47 -0.00 0.00 1.34 0.00 0.00 72.50 72.23 1yar s THR 3 CO -0.03 -0.45 0.11 0.54 -0.54 0.00 0.00 174.62 174.25 1yar s VAL 4 N -2.21 0.08 -0.02 2.29 0.11 0.72 -1.89 120.40 119.48 1yar s VAL 4 Ca 0.08 -0.66 0.00 0.00 -2.93 0.00 0.00 61.98 58.47 1yar s VAL 4 Cb -0.04 -0.39 0.03 0.00 -1.53 0.00 0.00 36.38 34.45 1yar s VAL 4 CO 0.02 -0.36 0.01 -0.83 -3.33 0.00 0.00 175.10 170.61 1yar s GLY 5 N -1.26 0.18 0.11 6.54 0.00 -0.33 -0.96 107.32 111.60 1yar s GLY 5 Ca -0.14 0.20 0.09 0.00 0.00 0.00 0.00 44.72 44.87 1yar s GLY 5 CO 0.01 0.59 -0.21 -0.26 0.00 0.00 0.00 173.10 173.22 1yar s ILE 6 N 0.97 1.78 0.02 0.90 -4.36 0.13 -1.07 121.20 119.57 1yar s ILE 6 Ca -0.09 -1.59 -0.01 0.00 -0.26 0.00 0.00 60.65 58.71 1yar s ILE 6 Cb -0.13 -1.62 -0.04 0.00 1.25 0.00 0.00 42.46 41.92 1yar s ILE 6 CO -0.02 -0.05 0.13 0.42 0.24 0.00 0.00 174.94 175.66 1yar s THR 7 N -1.19 5.02 0.22 8.37 -4.23 0.01 -1.29 115.64 122.54 1yar s THR 7 Ca 0.08 -0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.22 1yar s THR 7 Cb -0.10 -3.35 -0.01 0.00 1.34 0.00 0.00 72.50 70.38 1yar s THR 7 CO 0.05 0.28 0.06 0.18 -0.54 0.00 0.00 174.62 174.64 1yar n LEU 8 N 0.86 0.00 -0.19 4.79 4.77 0.25 -4.92 117.00 122.55 1yar n LEU 8 Ca -0.10 -1.60 -0.02 0.00 -0.03 0.00 0.00 56.01 54.25 1yar n LEU 8 Cb 0.52 0.47 0.05 0.00 -2.33 0.00 0.00 43.42 42.13 1yar n LEU 8 CO 0.43 -0.24 0.72 0.11 -1.33 0.00 0.00 177.39 177.07 1yar h LYS 9 N 0.00 -0.05 -0.22 3.23 1.57 -1.84 -3.08 116.57 116.18 1yar h LYS 9 Ca -0.17 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.40 1yar h LYS 9 Cb 0.63 0.01 -0.36 0.00 0.08 0.00 0.00 32.23 32.59 1yar h LYS 9 CO 0.27 -0.03 -1.00 -0.25 -0.57 0.00 0.00 179.45 177.88 1yar n ASP 10 N -5.42 1.62 -3.78 0.86 10.43 -1.26 -4.68 116.55 114.32 1yar n ASP 10 Ca 0.06 -2.35 -0.12 0.00 2.57 0.00 0.00 54.79 54.95 1yar n ASP 10 Cb 0.32 -0.39 -0.08 0.00 1.84 0.00 0.00 41.12 42.81 1yar n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1yar s ALA 11 N -2.06 -0.66 -0.03 2.24 0.00 -1.17 -4.51 121.76 115.59 1yar s ALA 11 Ca 0.33 0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.44 1yar s ALA 11 Cb 0.36 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 1yar s ALA 11 CO -0.09 -0.33 -0.22 0.08 0.00 0.00 0.00 175.76 175.19 1yar s VAL 12 N -1.99 1.77 -0.09 0.00 1.01 -0.82 -0.58 120.40 119.70 1yar s VAL 12 Ca -0.09 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 60.98 1yar s VAL 12 Cb -0.03 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.87 1yar s VAL 12 CO 0.00 0.50 -0.20 -0.63 0.00 0.00 0.00 175.10 174.77 1yar s ILE 13 N -0.41 1.73 0.03 2.22 1.01 -0.41 -0.73 121.20 124.65 1yar s ILE 13 Ca 0.05 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.94 1yar s ILE 13 Cb -0.10 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 1yar s ILE 13 CO 0.00 0.49 -0.18 -0.04 0.00 0.00 0.00 174.94 175.21 1yar s MET 14 N 0.50 1.27 0.01 2.79 -1.94 -0.54 -0.69 119.30 120.70 1yar s MET 14 Ca -0.16 -0.83 -0.18 0.00 -1.71 0.00 0.00 55.69 52.80 1yar s MET 14 Cb -0.17 -1.33 0.03 0.00 2.01 0.00 0.00 34.83 35.37 1yar s MET 14 CO 0.06 0.34 0.39 0.00 -0.01 0.00 0.00 175.02 175.81 1yar s ALA 15 N -0.74 -0.97 0.26 3.03 0.00 -0.13 -0.79 121.76 122.42 1yar s ALA 15 Ca 0.06 0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.36 1yar s ALA 15 Cb -0.08 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 1yar s ALA 15 CO 0.01 -0.37 0.36 0.95 0.00 0.00 0.00 175.76 176.72 1yar s THR 16 N -1.90 0.00 0.00 0.00 -4.23 -0.62 -0.20 115.64 108.68 1yar s THR 16 Ca -0.09 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 1yar s THR 16 Cb -0.02 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1yar s THR 16 CO 0.01 0.00 0.00 -1.84 -0.54 0.00 0.00 174.62 172.25 1yar n GLU 17 N -0.41 3.34 0.00 3.99 -0.00 -1.04 -0.80 120.64 125.72 1yar n GLU 17 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.17 1yar n GLU 17 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.07 1yar n GLU 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1yar n ARG 18 N 0.00 0.00 -2.65 3.44 1.74 -0.55 -4.57 116.66 114.06 1yar n ARG 18 Ca 0.00 -0.36 -0.42 0.00 -0.77 0.00 0.00 57.85 56.30 1yar n ARG 18 Cb 0.00 -0.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.93 1yar n ARG 18 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1yar s ARG 19 N 0.00 4.60 -0.21 5.56 3.52 -0.93 0.24 118.95 131.74 1yar s ARG 19 Ca 0.00 1.52 0.02 0.00 -0.13 0.00 0.00 55.73 57.14 1yar s ARG 19 Cb 0.00 -3.39 0.03 0.00 -1.56 0.00 0.00 34.95 30.03 1yar s ARG 19 CO 0.00 0.03 -0.17 0.08 -0.81 0.00 0.00 175.30 174.43 1yar s VAL 20 N 0.50 2.09 0.19 7.11 1.01 -0.01 -4.74 120.40 126.55 1yar s VAL 20 Ca 0.51 -1.17 0.08 0.00 0.00 0.00 0.00 61.98 61.40 1yar s VAL 20 Cb -0.24 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1yar s VAL 20 CO 0.30 0.35 -0.05 0.42 0.00 0.00 0.00 175.10 176.12 1yar s THR 21 N 1.23 3.43 -0.36 3.92 -4.23 -1.26 -1.65 115.64 116.71 1yar s THR 21 Ca 0.00 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 1yar s THR 21 Cb -0.15 -2.72 0.10 0.00 1.34 0.00 0.00 72.50 71.06 1yar s THR 21 CO -0.10 -0.14 0.11 -0.32 -0.54 0.00 0.00 174.62 173.62 1yar s MET 22 N -2.97 1.73 3.39 3.99 1.75 0.35 -4.91 119.30 122.63 1yar s MET 22 Ca 0.27 -1.83 0.00 0.00 -1.25 0.00 0.00 55.69 52.88 1yar s MET 22 Cb -0.09 -3.35 0.00 0.00 2.84 0.00 0.00 34.83 34.23 1yar s MET 22 CO 0.17 -0.98 0.00 0.39 -0.65 0.00 0.00 175.02 173.95 1yar n GLU 23 N 4.40 0.00 0.00 4.11 1.02 -1.26 -1.13 120.64 127.78 1yar n GLU 23 Ca 0.01 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.29 1yar n GLU 23 Cb 0.42 0.00 0.60 0.00 -0.02 0.00 0.00 31.44 32.43 1yar n GLU 23 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1yar n ASN 24 N 5.44 0.20 -4.61 1.62 0.23 -1.26 -4.85 115.26 112.03 1yar n ASN 24 Ca 0.00 -0.05 -0.42 0.00 -0.53 0.00 0.00 54.58 53.57 1yar n ASN 24 Cb 0.00 -0.22 -0.04 0.00 -2.08 0.00 0.00 39.78 37.44 1yar n ASN 24 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1yar s PHE 25 N -2.76 3.14 -0.70 -2.53 2.19 -0.28 -4.98 117.98 112.07 1yar s PHE 25 Ca 0.21 0.85 -0.26 0.00 0.33 0.00 0.00 56.93 58.06 1yar s PHE 25 Cb 0.19 -3.47 0.04 0.00 -1.31 0.00 0.00 43.02 38.47 1yar s PHE 25 CO 0.52 -0.71 1.19 0.42 1.83 0.00 0.00 175.22 178.47 1yar s ILE 26 N 3.28 3.91 -0.02 3.12 1.01 -1.26 -0.49 121.20 130.73 1yar s ILE 26 Ca 0.37 0.26 -0.21 0.00 0.00 0.00 0.00 60.65 61.06 1yar s ILE 26 Cb -0.13 -4.84 -0.27 0.00 0.01 0.00 0.00 42.46 37.23 1yar s ILE 26 CO 0.15 -1.70 1.00 0.24 0.00 0.00 0.00 174.94 174.63 1yar h MET 27 N 9.86 0.34 -3.95 2.79 2.86 -1.66 -3.46 114.93 121.71 1yar h MET 27 Ca -0.28 -0.45 -0.37 0.00 -2.06 0.00 0.00 59.70 56.54 1yar h MET 27 Cb 1.06 0.15 -0.33 0.00 0.06 0.00 0.00 31.60 32.54 1yar h MET 27 CO 1.24 1.16 -0.76 -1.01 1.06 0.00 0.00 176.91 178.60 1yar s HIS 28 N -2.84 0.53 -0.55 -0.22 3.76 -1.03 -5.01 115.29 109.93 1yar s HIS 28 Ca -0.14 -0.11 0.23 0.00 -0.15 0.00 0.00 55.06 54.90 1yar s HIS 28 Cb 0.02 -0.50 0.13 0.00 1.11 0.00 0.00 32.58 33.34 1yar s HIS 28 CO 0.82 -0.13 1.11 1.63 -0.85 0.00 0.00 174.74 177.31 1yar n LYS 29 N 3.89 0.34 -2.54 1.40 5.02 -1.26 -0.83 118.16 124.19 1yar n LYS 29 Ca -0.24 0.04 -0.16 0.00 -2.02 0.00 0.00 58.31 55.92 1yar n LYS 29 Cb 0.52 -1.65 0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1yar n LYS 29 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1yar n ASN 30 N -2.11 3.10 -4.78 4.39 3.02 -1.21 -4.21 115.26 113.45 1yar n ASN 30 Ca 0.02 -3.12 -0.32 0.00 -0.03 0.00 0.00 54.58 51.13 1yar n ASN 30 Cb 0.46 -0.47 0.07 0.00 -0.61 0.00 0.00 39.78 39.22 1yar n ASN 30 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1yar s GLY 31 N -3.42 1.80 -0.17 7.41 0.00 0.14 -5.03 107.32 108.04 1yar s GLY 31 Ca 0.38 0.30 -0.06 0.00 0.00 0.00 0.00 44.72 45.34 1yar s GLY 31 CO -0.05 0.65 0.02 1.25 0.00 0.00 0.00 173.10 174.96 1yar s LYS 32 N -4.71 3.85 0.00 2.90 2.20 -1.26 -4.53 119.74 118.20 1yar s LYS 32 Ca 0.62 -0.41 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 1yar s LYS 32 Cb -0.17 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1yar s LYS 32 CO 0.52 0.26 0.29 1.63 -0.36 0.00 0.00 175.35 177.69 1yar n LYS 33 N 3.52 -0.51 -4.45 4.03 5.02 -1.26 -5.00 118.16 119.50 1yar n LYS 33 Ca -0.17 -0.29 -0.26 0.00 -2.02 0.00 0.00 58.31 55.57 1yar n LYS 33 Cb 0.52 -0.78 -0.17 0.00 -0.02 0.00 0.00 35.03 34.58 1yar n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1yar s LEU 34 N -0.02 1.61 -0.01 -0.35 2.96 -1.26 -1.56 118.68 120.05 1yar s LEU 34 Ca 0.00 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1yar s LEU 34 Cb 0.00 -0.93 0.00 0.00 0.50 0.00 0.00 46.19 45.76 1yar s LEU 34 CO 0.00 0.01 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.64 1yar s PHE 35 N 0.92 0.43 -0.06 5.38 0.08 -0.29 -4.99 117.98 119.46 1yar s PHE 35 Ca -0.09 -0.08 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 1yar s PHE 35 Cb -0.15 -0.32 -0.03 0.00 -0.57 0.00 0.00 43.02 41.95 1yar s PHE 35 CO 0.00 -0.03 1.25 -1.14 -0.10 0.00 0.00 175.22 175.19 1yar s GLN 36 N 0.09 4.33 0.00 0.44 0.74 -1.26 -0.56 119.66 123.44 1yar s GLN 36 Ca -0.01 1.73 0.09 0.00 0.05 0.00 0.00 55.36 57.22 1yar s GLN 36 Cb -0.04 -3.59 -0.07 0.00 1.10 0.00 0.00 33.01 30.41 1yar s GLN 36 CO -0.00 -0.50 0.44 0.44 -0.55 0.00 0.00 175.29 175.12 1yar n ILE 37 N 4.71 0.00 -3.80 -2.34 -5.35 -0.10 -4.95 119.36 107.53 1yar n ILE 37 Ca 0.12 -0.32 -0.09 0.00 -0.27 0.00 0.00 62.75 62.19 1yar n ILE 37 Cb 0.46 1.03 0.03 0.00 -1.74 0.00 0.00 39.64 39.42 1yar n ILE 37 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1yar s ASP 38 N -1.69 0.04 0.17 7.28 2.15 -0.99 -4.50 116.67 119.13 1yar s ASP 38 Ca 0.05 -1.20 -0.14 0.00 0.43 0.00 0.00 52.55 51.68 1yar s ASP 38 Cb 0.07 0.86 0.14 0.00 -0.30 0.00 0.00 42.92 43.69 1yar s ASP 38 CO 0.33 -1.71 1.72 0.74 -0.17 0.00 0.00 175.17 176.08 1yar h THR 39 N 2.00 0.77 -0.20 1.71 2.02 -1.97 -2.73 112.91 114.51 1yar h THR 39 Ca -0.34 -0.08 -0.15 0.00 0.77 0.00 0.00 66.41 66.61 1yar h THR 39 Cb 1.25 0.52 -0.13 0.00 -1.74 0.00 0.00 68.15 68.05 1yar h THR 39 CO 0.43 0.04 -0.60 -1.22 0.37 0.00 0.00 175.52 174.54 1yar n TYR 40 N -5.09 0.75 -4.10 3.16 4.01 -1.26 -3.20 117.16 111.42 1yar n TYR 40 Ca 0.04 -1.68 -0.18 0.00 -0.16 0.00 0.00 57.90 55.92 1yar n TYR 40 Cb 0.20 -0.27 -0.16 0.00 -0.31 0.00 0.00 39.34 38.80 1yar n TYR 40 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1yar s THR 41 N -3.54 0.41 0.23 -0.72 2.01 -1.03 -1.75 115.64 111.24 1yar s THR 41 Ca 0.41 -0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.42 1yar s THR 41 Cb 0.38 -0.43 -0.05 0.00 0.01 0.00 0.00 72.50 72.41 1yar s THR 41 CO -0.04 0.18 -0.16 -0.83 -0.69 0.00 0.00 174.62 173.07 1yar s GLY 42 N 0.70 1.57 -0.01 4.40 0.00 0.12 -0.93 107.32 113.17 1yar s GLY 42 Ca -0.08 -1.72 -0.02 0.00 0.00 0.00 0.00 44.72 42.90 1yar s GLY 42 CO -0.00 -1.81 0.04 -0.29 0.00 0.00 0.00 173.10 171.03 1yar s MET 43 N -3.56 0.09 0.19 2.90 1.75 0.28 -1.10 119.30 119.85 1yar s MET 43 Ca 0.24 -0.03 0.09 0.00 -1.25 0.00 0.00 55.69 54.75 1yar s MET 43 Cb -0.02 0.04 -0.04 0.00 2.84 0.00 0.00 34.83 37.64 1yar s MET 43 CO 0.09 -0.01 -0.07 0.95 -0.65 0.00 0.00 175.02 175.33 1yar s THR 44 N -0.18 3.31 -0.02 10.11 -4.23 -0.41 -1.13 115.64 123.09 1yar s THR 44 Ca -0.02 -1.64 0.05 0.00 -1.18 0.00 0.00 61.69 58.90 1yar s THR 44 Cb -0.02 -2.66 -0.01 0.00 1.34 0.00 0.00 72.50 71.15 1yar s THR 44 CO 0.00 -0.14 -0.18 0.27 -0.54 0.00 0.00 174.62 174.03 1yar s ILE 45 N -1.78 1.46 0.04 2.99 -4.36 -0.60 -2.35 121.20 116.60 1yar s ILE 45 Ca 0.26 -0.77 0.00 0.00 -0.26 0.00 0.00 60.65 59.88 1yar s ILE 45 Cb -0.09 -1.22 -0.03 0.00 1.25 0.00 0.00 42.46 42.37 1yar s ILE 45 CO 0.16 0.41 -0.04 0.00 0.24 0.00 0.00 174.94 175.72 1yar s ALA 46 N -0.30 0.35 0.00 2.27 0.00 -0.69 -4.91 121.76 118.48 1yar s ALA 46 Ca 0.04 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.16 1yar s ALA 46 Cb -0.08 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1yar s ALA 46 CO 0.00 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1yar n GLY 47 N 1.03 0.17 3.67 0.00 0.00 -1.26 -1.36 105.19 107.44 1yar n GLY 47 Ca -0.20 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 1yar n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yar s LEU 48 N 0.00 4.29 0.08 0.99 2.96 -0.20 -4.92 118.68 121.88 1yar s LEU 48 Ca 0.00 2.05 -0.26 0.00 -0.22 0.00 0.00 54.13 55.71 1yar s LEU 48 Cb 0.00 -3.55 -0.16 0.00 0.50 0.00 0.00 46.19 42.98 1yar s LEU 48 CO 0.00 -0.78 1.67 0.58 -1.32 0.00 0.00 176.35 176.50 1yar h VAL 49 N 5.21 0.83 -0.99 1.68 2.07 -1.93 -1.68 116.25 121.44 1yar h VAL 49 Ca -0.36 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.20 1yar h VAL 49 Cb 1.16 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 31.72 1yar h VAL 49 CO 0.93 0.02 0.62 1.23 0.02 0.00 0.00 177.57 180.39 1yar h GLY 50 N -0.30 1.58 0.83 2.17 0.00 -1.99 0.20 103.07 105.57 1yar h GLY 50 Ca -0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1yar h GLY 50 CO 0.04 0.20 0.03 -0.55 0.00 0.00 0.00 176.54 176.26 1yar h ASP 51 N 1.02 0.28 -0.70 0.19 3.32 -1.86 -2.42 116.42 116.24 1yar h ASP 51 Ca 0.47 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 1yar h ASP 51 Cb 0.40 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1yar h ASP 51 CO -0.24 0.46 0.24 0.00 -1.72 0.00 0.00 179.24 177.98 1yar h ALA 52 N 0.83 1.08 -0.52 3.45 0.00 -0.85 -2.31 119.26 120.94 1yar h ALA 52 Ca 0.06 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1yar h ALA 52 Cb 0.30 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1yar h ALA 52 CO 0.00 0.63 -0.11 1.96 0.00 0.00 0.00 179.25 181.74 1yar h GLN 53 N 1.05 1.00 -0.35 0.00 4.20 -0.88 -0.99 115.11 119.15 1yar h GLN 53 Ca 0.24 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.59 1yar h GLN 53 Cb 0.26 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1yar h GLN 53 CO -0.01 1.06 0.17 0.28 -0.67 0.00 0.00 178.83 179.66 1yar h VAL 54 N 0.87 0.98 -0.74 -0.54 2.07 -1.31 -1.89 116.25 115.69 1yar h VAL 54 Ca 0.14 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1yar h VAL 54 Cb 0.68 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1yar h VAL 54 CO 0.05 0.07 0.38 -0.07 0.02 0.00 0.00 177.57 178.01 1yar h LEU 55 N 0.36 0.94 -0.28 2.57 3.38 -1.17 -0.56 115.31 120.55 1yar h LEU 55 Ca 0.15 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1yar h LEU 55 Cb 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1yar h LEU 55 CO -0.10 0.78 0.16 0.58 0.09 0.00 0.00 178.44 179.95 1yar h VAL 56 N 1.05 1.11 -0.53 1.22 2.07 -0.91 0.21 116.25 120.46 1yar h VAL 56 Ca 0.26 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1yar h VAL 56 Cb 0.07 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1yar h VAL 56 CO -0.04 0.11 0.34 0.03 0.02 0.00 0.00 177.57 178.02 1yar h ARG 57 N 0.34 0.72 -0.03 1.57 3.08 -1.01 -0.63 114.38 118.42 1yar h ARG 57 Ca 0.10 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1yar h ARG 57 Cb 0.03 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.92 1yar h ARG 57 CO -0.02 0.50 0.02 -0.92 -1.07 0.00 0.00 179.97 178.48 1yar h TYR 58 N 0.72 0.03 -0.56 3.04 3.20 -0.85 -1.61 116.97 120.94 1yar h TYR 58 Ca 0.19 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.08 1yar h TYR 58 Cb -0.04 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1yar h TYR 58 CO -0.03 0.06 0.36 0.52 -1.64 0.00 0.00 178.16 177.43 1yar h MET 59 N -0.00 0.71 -0.55 1.82 2.86 -0.71 0.34 114.93 119.40 1yar h MET 59 Ca 0.01 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1yar h MET 59 Cb 0.03 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.49 1yar h MET 59 CO -0.00 0.47 0.28 0.87 1.06 0.00 0.00 176.91 179.59 1yar h LYS 60 N 0.73 0.53 0.10 1.72 1.57 -1.03 -0.44 116.57 119.73 1yar h LYS 60 Ca 0.21 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1yar h LYS 60 Cb -0.05 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1yar h LYS 60 CO -0.06 0.35 -0.05 0.00 -0.57 0.00 0.00 179.45 179.12 1yar h ALA 61 N 1.30 -0.13 -0.42 3.86 0.00 -0.24 -2.51 119.26 121.12 1yar h ALA 61 Ca 0.24 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1yar h ALA 61 Cb 0.15 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1yar h ALA 61 CO -0.17 -0.46 -0.21 1.49 0.00 0.00 0.00 179.25 179.90 1yar h GLU 62 N -0.35 0.83 -0.04 0.00 4.57 -0.26 -1.24 114.58 118.09 1yar h GLU 62 Ca -0.01 -0.33 -0.16 0.00 -1.18 0.00 0.00 59.36 57.68 1yar h GLU 62 Cb 0.29 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1yar h GLU 62 CO 0.02 0.96 -0.67 -0.07 -1.18 0.00 0.00 179.01 178.07 1yar h LEU 63 N 0.73 0.22 -0.07 1.64 3.38 -1.13 0.52 115.31 120.59 1yar h LEU 63 Ca 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1yar h LEU 63 Cb 0.73 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1yar h LEU 63 CO 0.06 0.83 0.02 -0.08 0.09 0.00 0.00 178.44 179.35 1yar h GLU 64 N 0.13 0.12 -0.33 1.13 4.81 -1.26 -1.59 114.58 117.59 1yar h GLU 64 Ca -0.01 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1yar h GLU 64 Cb 1.21 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 1yar h GLU 64 CO 0.10 0.30 0.18 1.25 -0.73 0.00 0.00 179.01 180.11 1yar h LEU 65 N -0.09 0.29 -0.57 1.64 5.85 -1.12 -2.21 115.31 119.10 1yar h LEU 65 Ca 0.02 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1yar h LEU 65 Cb 0.24 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1yar h LEU 65 CO -0.00 0.21 0.37 0.22 -0.34 0.00 0.00 178.44 178.90 1yar h TYR 66 N 0.37 0.70 -0.53 1.25 5.03 -0.84 -0.35 116.97 122.61 1yar h TYR 66 Ca 0.13 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.52 1yar h TYR 66 Cb 0.02 -0.23 -0.06 0.00 1.55 0.00 0.00 36.73 38.01 1yar h TYR 66 CO -0.08 0.43 0.22 -0.09 -1.32 0.00 0.00 178.16 177.32 1yar h ARG 67 N 0.75 0.41 -0.40 1.82 2.43 -1.10 0.25 114.38 118.54 1yar h ARG 67 Ca 0.21 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.22 1yar h ARG 67 Cb -0.06 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1yar h ARG 67 CO -0.06 0.27 -0.30 -0.07 -1.51 0.00 0.00 179.97 178.31 1yar h LEU 68 N 0.42 0.91 -0.32 3.80 3.38 -0.88 0.18 115.31 122.80 1yar h LEU 68 Ca 0.25 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 1yar h LEU 68 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1yar h LEU 68 CO -0.22 1.14 -0.25 1.56 0.09 0.00 0.00 178.44 180.75 1yar h GLN 69 N 0.74 0.74 0.00 1.13 4.20 -0.64 -3.34 115.11 117.94 1yar h GLN 69 Ca 0.08 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1yar h GLN 69 Cb 0.86 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.64 1yar h GLN 69 CO 0.08 0.98 -1.44 0.54 -0.67 0.00 0.00 178.83 178.32 1yar n ARG 70 N -4.26 0.47 -1.07 1.46 3.00 0.84 -4.97 116.66 112.13 1yar n ARG 70 Ca -0.03 -0.07 -0.02 0.00 -0.01 0.00 0.00 57.85 57.72 1yar n ARG 70 Cb 0.45 -1.59 -0.01 0.00 0.00 0.00 0.00 32.46 31.31 1yar n ARG 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1yar n ARG 71 N -2.16 -1.20 -4.07 5.56 5.12 0.05 -4.97 116.66 114.98 1yar n ARG 71 Ca -0.01 0.43 -0.08 0.00 -1.93 0.00 0.00 57.85 56.27 1yar n ARG 71 Cb 0.50 -4.40 -0.10 0.00 -1.16 0.00 0.00 32.46 27.31 1yar n ARG 71 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1yar s VAL 72 N -1.57 0.18 0.38 1.55 -7.23 -1.24 -5.04 120.40 107.44 1yar s VAL 72 Ca 0.00 -1.75 -0.26 0.00 -1.81 0.00 0.00 61.98 58.16 1yar s VAL 72 Cb 0.00 -1.62 -0.09 0.00 0.56 0.00 0.00 36.38 35.24 1yar s VAL 72 CO 0.00 -0.83 1.17 0.20 -0.31 0.00 0.00 175.10 175.33 1yar s ASN 73 N -2.94 6.65 -0.03 4.85 -0.87 -1.26 -4.17 114.94 117.16 1yar s ASN 73 Ca 0.11 2.36 -0.35 0.00 -1.57 0.00 0.00 52.86 53.40 1yar s ASN 73 Cb 0.07 -2.62 -0.13 0.00 -0.02 0.00 0.00 41.25 38.55 1yar s ASN 73 CO -0.07 -0.59 1.72 0.80 -2.57 0.00 0.00 177.10 176.39 1yar n MET 74 N 0.28 1.90 -1.60 -0.60 0.00 -1.26 -4.94 117.12 110.90 1yar n MET 74 Ca 0.03 0.69 -0.39 0.00 -0.00 0.00 0.00 57.70 58.03 1yar n MET 74 Cb 0.46 -2.47 0.03 0.00 0.00 0.00 0.00 33.22 31.24 1yar n MET 74 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 1yar n PRO 75 N 5.12 1.10 -0.30 2.12 -0.02 -1.26 -4.75 135.00 137.01 1yar n PRO 75 Ca 0.21 0.41 -0.05 0.00 -2.02 0.00 0.00 63.50 62.05 1yar n PRO 75 Cb 0.26 -2.08 0.07 0.00 -0.02 0.00 0.00 33.50 31.73 1yar n PRO 75 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1yar h ILE 76 N 0.98 1.25 -0.09 4.25 1.08 -1.92 0.37 117.51 123.42 1yar h ILE 76 Ca -0.47 -0.64 -0.02 0.00 -0.39 0.00 0.00 64.86 63.34 1yar h ILE 76 Cb 1.35 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.27 1yar h ILE 76 CO 0.53 0.28 -0.04 -0.08 -0.69 0.00 0.00 178.15 178.15 1yar h GLU 77 N 1.14 0.12 -0.30 2.37 4.81 -1.99 -1.83 114.58 118.90 1yar h GLU 77 Ca 0.28 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.33 1yar h GLU 77 Cb 0.06 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1yar h GLU 77 CO -0.04 0.18 -0.47 0.00 -0.73 0.00 0.00 179.01 177.95 1yar h ALA 78 N 1.84 0.59 -0.30 2.92 0.00 -1.32 -0.43 119.26 122.56 1yar h ALA 78 Ca 0.03 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.51 1yar h ALA 78 Cb 0.17 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1yar h ALA 78 CO 0.01 0.68 -0.02 0.28 0.00 0.00 0.00 179.25 180.19 1yar h VAL 79 N 0.64 0.76 -0.43 0.00 2.07 -0.68 0.38 116.25 118.99 1yar h VAL 79 Ca 0.03 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 1yar h VAL 79 Cb 1.05 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1yar h VAL 79 CO 0.10 0.01 -0.10 0.00 0.02 0.00 0.00 177.57 177.60 1yar h ALA 80 N 1.27 1.02 -0.39 1.67 0.00 -1.20 -2.21 119.26 119.41 1yar h ALA 80 Ca 0.14 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1yar h ALA 80 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1yar h ALA 80 CO -0.26 0.59 0.05 1.15 0.00 0.00 0.00 179.25 180.78 1yar h THR 81 N 0.70 1.25 -0.16 0.00 2.02 -0.79 -0.65 112.91 115.27 1yar h THR 81 Ca 0.12 -0.89 0.03 0.00 0.77 0.00 0.00 66.41 66.43 1yar h THR 81 Cb 0.57 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1yar h THR 81 CO 0.04 0.30 -0.02 0.25 0.37 0.00 0.00 175.52 176.46 1yar h LEU 82 N 0.50 -0.10 -0.80 2.58 5.85 -0.79 -0.74 115.31 121.81 1yar h LEU 82 Ca 0.12 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1yar h LEU 82 Cb 0.39 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1yar h LEU 82 CO 0.01 -0.03 0.44 -0.07 -0.34 0.00 0.00 178.44 178.45 1yar h LEU 83 N 0.03 1.00 -0.14 2.25 3.38 -1.35 -0.89 115.31 119.59 1yar h LEU 83 Ca 0.08 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1yar h LEU 83 Cb 0.10 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1yar h LEU 83 CO -0.14 0.81 -0.16 0.28 0.09 0.00 0.00 178.44 179.32 1yar h SER 84 N 1.11 -0.49 -0.29 -0.43 0.02 -0.73 0.40 113.55 113.14 1yar h SER 84 Ca 0.28 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.33 1yar h SER 84 Cb 0.04 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1yar h SER 84 CO -0.04 -0.20 0.18 0.78 -1.14 0.00 0.00 176.83 176.40 1yar h ASN 85 N -0.19 0.30 -0.17 3.07 2.35 -0.82 -0.85 115.58 119.27 1yar h ASN 85 Ca 0.10 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 1yar h ASN 85 Cb 0.33 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1yar h ASN 85 CO -0.25 0.22 0.04 0.24 -1.65 0.00 0.00 177.43 176.02 1yar h MET 86 N 0.37 0.11 -0.28 0.81 2.86 -0.88 -1.64 114.93 116.27 1yar h MET 86 Ca 0.11 -0.01 -0.16 0.00 -2.06 0.00 0.00 59.70 57.58 1yar h MET 86 Cb -0.02 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1yar h MET 86 CO -0.04 0.07 -0.47 -0.07 1.06 0.00 0.00 176.91 177.46 1yar h LEU 87 N 0.11 0.89 -1.20 1.22 4.07 -0.85 -3.18 115.31 116.37 1yar h LEU 87 Ca 0.08 -0.52 -0.05 0.00 0.08 0.00 0.00 57.88 57.46 1yar h LEU 87 Cb 0.07 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 1yar h LEU 87 CO -0.10 1.24 -0.03 -1.13 -1.08 0.00 0.00 178.44 177.35 1yar h ASN 88 N 0.57 0.49 0.09 -0.43 -0.73 -1.10 -2.87 115.58 111.59 1yar h ASN 88 Ca 0.02 -0.10 -0.02 0.00 1.87 0.00 0.00 56.30 58.07 1yar h ASN 88 Cb 1.07 -0.13 -0.00 0.00 0.27 0.00 0.00 38.32 39.53 1yar h ASN 88 CO 0.11 0.58 -0.08 1.56 -0.37 0.00 0.00 177.43 179.22 1yar h GLN 89 N 0.49 0.00 -0.44 6.67 4.20 -1.27 -1.94 115.11 122.82 1yar h GLN 89 Ca 0.10 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.59 1yar h GLN 89 Cb 0.37 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.01 1yar h GLN 89 CO 0.01 0.08 0.01 1.33 -0.67 0.00 0.00 178.83 179.60 1yar n VAL 90 N -4.39 2.65 0.09 -0.54 0.24 -1.10 -4.83 118.33 110.45 1yar n VAL 90 Ca -0.03 -2.65 0.19 0.00 -2.04 0.00 0.00 64.34 59.81 1yar n VAL 90 Cb 0.16 -0.34 0.74 0.00 -1.47 0.00 0.00 33.84 32.93 1yar n VAL 90 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1yar h LYS 91 N 1.01 0.00 0.00 7.34 2.10 -1.15 0.12 116.57 125.99 1yar h LYS 91 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 1yar h LYS 91 Cb 1.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.16 1yar h LYS 91 CO 0.49 0.00 -0.64 0.66 -2.00 0.00 0.00 179.45 177.96 1yar n TYR 92 N -4.04 0.31 -3.16 0.07 0.53 -1.26 -4.04 117.16 105.56 1yar n TYR 92 Ca 0.06 0.09 -0.23 0.00 -1.02 0.00 0.00 57.90 56.80 1yar n TYR 92 Cb 0.51 -0.48 -0.05 0.00 -1.03 0.00 0.00 39.34 38.30 1yar n TYR 92 CO 0.00 0.00 0.00 -1.33 -1.02 0.00 0.00 176.86 174.51 1yar n MET 93 N -1.86 1.81 -1.83 -0.72 2.81 0.31 -5.13 117.12 112.50 1yar n MET 93 Ca 0.04 -3.98 -0.30 0.00 -1.81 0.00 0.00 57.70 51.65 1yar n MET 93 Cb 0.40 -1.84 0.06 0.00 -0.71 0.00 0.00 33.22 31.12 1yar n MET 93 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1yar s PRO 94 N -2.46 2.68 -0.28 0.03 0.04 -0.61 -4.87 135.00 129.53 1yar s PRO 94 Ca 0.41 0.46 -0.28 0.00 0.04 0.00 0.00 61.00 61.64 1yar s PRO 94 Cb 0.26 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.81 1yar s PRO 94 CO -0.09 -1.16 0.99 0.71 0.04 0.00 0.00 177.00 177.48 1yar s TYR 95 N -3.35 3.24 -1.23 0.56 1.51 -1.26 -4.97 117.35 111.85 1yar s TYR 95 Ca 0.59 1.22 -0.09 0.00 -1.01 0.00 0.00 57.07 57.77 1yar s TYR 95 Cb -0.12 -3.40 0.19 0.00 -0.11 0.00 0.00 41.96 38.53 1yar s TYR 95 CO 0.52 -0.60 1.71 -1.33 -1.11 0.00 0.00 175.55 174.74 1yar n MET 96 N 6.48 3.70 -4.22 -0.62 2.81 -1.26 -4.58 117.12 119.43 1yar n MET 96 Ca 0.10 -3.77 -0.13 0.00 -1.81 0.00 0.00 57.70 52.09 1yar n MET 96 Cb 0.47 -2.87 -0.10 0.00 -0.71 0.00 0.00 33.22 30.01 1yar n MET 96 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yar s VAL 97 N 0.06 0.71 -0.07 2.03 -7.23 -1.26 -1.03 120.40 113.60 1yar s VAL 97 Ca 0.39 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.61 1yar s VAL 97 Cb 0.06 -2.00 0.01 0.00 0.56 0.00 0.00 36.38 35.00 1yar s VAL 97 CO 0.02 -0.58 -0.16 -1.10 -0.31 0.00 0.00 175.10 172.97 1yar s GLN 98 N -3.89 2.06 0.00 4.82 -0.21 -0.47 -2.93 119.66 119.06 1yar s GLN 98 Ca 0.21 -0.55 0.08 0.00 0.02 0.00 0.00 55.36 55.11 1yar s GLN 98 Cb 0.06 -1.65 -0.02 0.00 1.00 0.00 0.00 33.01 32.39 1yar s GLN 98 CO 0.02 0.08 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.53 1yar s LEU 99 N 0.53 2.09 -0.14 2.90 1.43 -0.35 -1.70 118.68 123.44 1yar s LEU 99 Ca -0.15 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.45 1yar s LEU 99 Cb -0.16 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 1yar s LEU 99 CO 0.05 0.26 -0.04 -0.76 0.23 0.00 0.00 176.35 176.09 1yar s LEU 100 N -0.78 3.25 -0.11 1.79 1.43 -0.99 -0.76 118.68 122.52 1yar s LEU 100 Ca 0.09 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1yar s LEU 100 Cb -0.09 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 1yar s LEU 100 CO 0.00 0.22 -0.18 -0.69 0.23 0.00 0.00 176.35 175.93 1yar s VAL 101 N 0.07 2.64 0.02 -1.59 1.01 -0.23 -1.29 120.40 121.04 1yar s VAL 101 Ca -0.00 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1yar s VAL 101 Cb -0.13 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1yar s VAL 101 CO 0.03 0.55 -0.05 -0.83 0.00 0.00 0.00 175.10 174.80 1yar s GLY 102 N 0.22 0.30 0.00 4.51 0.00 -0.26 -0.18 107.32 111.91 1yar s GLY 102 Ca -0.11 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1yar s GLY 102 CO 0.06 -0.49 0.00 0.61 0.00 0.00 0.00 173.10 173.28 1yar n GLY 103 N 2.12 -0.98 3.23 0.20 0.00 -0.77 0.12 105.19 109.10 1yar n GLY 103 Ca -0.19 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 1yar n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yar s ILE 104 N -2.00 2.40 0.00 -0.61 -1.09 -0.72 -1.19 121.20 117.99 1yar s ILE 104 Ca 0.00 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 1yar s ILE 104 Cb 0.00 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.89 1yar s ILE 104 CO 0.00 0.53 0.00 -0.90 -1.23 0.00 0.00 174.94 173.34 1yar n ASP 105 N 3.98 0.00 -0.09 3.58 5.68 -1.26 -4.79 116.55 123.65 1yar n ASP 105 Ca -0.19 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.23 1yar n ASP 105 Cb 0.52 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 40.99 1yar n ASP 105 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1yar n THR 106 N 0.00 0.00 -3.52 2.12 -2.24 -1.26 -4.94 114.28 104.44 1yar n THR 106 Ca 0.00 -0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1yar n THR 106 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1yar n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yar s ALA 107 N -2.68 -1.53 0.43 6.98 0.00 -1.26 -5.16 121.76 118.53 1yar s ALA 107 Ca 0.22 0.34 -0.23 0.00 0.00 0.00 0.00 51.96 52.28 1yar s ALA 107 Cb 0.19 0.86 -0.08 0.00 0.00 0.00 0.00 23.12 24.08 1yar s ALA 107 CO 0.54 -0.83 1.10 -2.14 0.00 0.00 0.00 175.76 174.44 1yar s PRO 108 N -3.75 3.98 -0.08 0.00 0.02 -1.26 -4.40 135.00 129.51 1yar s PRO 108 Ca 0.03 1.62 -0.10 0.00 0.02 0.00 0.00 61.00 62.58 1yar s PRO 108 Cb -0.02 -2.47 0.02 0.00 0.02 0.00 0.00 34.50 32.05 1yar s PRO 108 CO -0.08 -0.33 0.26 -1.01 -0.33 0.00 0.00 177.00 175.51 1yar s HIS 109 N -1.62 -0.24 -0.08 6.54 3.76 -0.34 -4.99 115.29 118.33 1yar s HIS 109 Ca 0.61 0.55 0.03 0.00 -0.15 0.00 0.00 55.06 56.10 1yar s HIS 109 Cb -0.25 0.08 0.01 0.00 1.11 0.00 0.00 32.58 33.54 1yar s HIS 109 CO 0.30 -0.20 -0.16 0.08 -0.85 0.00 0.00 174.74 173.92 1yar s VAL 110 N -0.26 1.44 -0.02 -0.90 1.01 -1.25 -1.85 120.40 118.56 1yar s VAL 110 Ca -0.04 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.36 1yar s VAL 110 Cb -0.03 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1yar s VAL 110 CO 0.01 0.42 -0.26 -0.36 0.00 0.00 0.00 175.10 174.91 1yar s PHE 111 N 0.55 2.33 -0.16 5.22 0.40 0.75 -1.54 117.98 125.54 1yar s PHE 111 Ca -0.16 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 55.65 1yar s PHE 111 Cb -0.16 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 1yar s PHE 111 CO 0.05 -0.04 0.13 -1.12 0.70 0.00 0.00 175.22 174.95 1yar s SER 112 N -0.61 6.25 -0.06 1.36 0.01 -0.09 -1.06 113.70 119.48 1yar s SER 112 Ca 0.10 0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.71 1yar s SER 112 Cb -0.10 -2.06 0.01 0.00 0.21 0.00 0.00 66.02 64.07 1yar s SER 112 CO -0.01 0.28 -0.14 -0.63 0.41 0.00 0.00 173.24 173.15 1yar s ILE 113 N -0.27 1.28 0.57 1.44 1.09 0.06 -0.93 121.20 124.44 1yar s ILE 113 Ca 0.11 -0.58 0.09 0.00 -1.10 0.00 0.00 60.65 59.17 1yar s ILE 113 Cb -0.11 -1.15 0.08 0.00 -1.06 0.00 0.00 42.46 40.22 1yar s ILE 113 CO 0.01 0.39 0.78 1.51 -0.10 0.00 0.00 174.94 177.53 1yar s ASP 114 N 0.51 5.10 0.35 3.58 1.47 -0.00 -1.21 116.67 126.47 1yar s ASP 114 Ca -0.13 -0.75 0.26 0.00 1.18 0.00 0.00 52.55 53.11 1yar s ASP 114 Cb -0.15 0.15 1.21 0.00 -0.34 0.00 0.00 42.92 43.79 1yar s ASP 114 CO 0.04 -1.32 1.79 0.00 0.68 0.00 0.00 175.17 176.36 1yar h ALA 115 N 0.17 1.00 -0.55 2.11 0.00 -1.78 -0.60 119.26 119.62 1yar h ALA 115 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1yar h ALA 115 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1yar h ALA 115 CO 0.41 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1yar n ALA 116 N -1.85 2.40 -0.89 0.00 0.00 -1.26 -4.56 120.51 114.36 1yar n ALA 116 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1yar n ALA 116 Cb 0.17 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1yar n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yar n GLY 117 N 1.58 0.54 3.70 0.00 0.00 -0.23 -3.56 105.19 107.22 1yar n GLY 117 Ca 0.22 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1yar n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yar s GLY 118 N -2.17 1.96 -0.08 -0.02 0.00 -1.26 -4.52 107.32 101.23 1yar s GLY 118 Ca 0.00 0.94 0.02 0.00 0.00 0.00 0.00 44.72 45.68 1yar s GLY 118 CO 0.00 2.40 -0.13 -0.45 0.00 0.00 0.00 173.10 174.92 1yar s SER 119 N 1.57 2.06 -0.05 1.64 0.15 -1.26 -0.82 113.70 116.99 1yar s SER 119 Ca 0.63 -0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.95 1yar s SER 119 Cb -0.32 -0.93 0.02 0.00 -1.71 0.00 0.00 66.02 63.07 1yar s SER 119 CO 0.28 0.03 -0.07 -0.69 1.20 0.00 0.00 173.24 173.98 1yar s VAL 120 N 0.78 0.74 0.25 4.45 1.01 -0.11 -4.96 120.40 122.57 1yar s VAL 120 Ca -0.12 -0.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.33 1yar s VAL 120 Cb -0.16 -0.71 -0.09 0.00 0.00 0.00 0.00 36.38 35.42 1yar s VAL 120 CO 0.02 0.26 0.89 -0.70 0.00 0.00 0.00 175.10 175.57 1yar s GLU 121 N 0.70 4.64 0.11 2.72 2.12 -1.26 -0.91 118.70 126.82 1yar s GLU 121 Ca -0.11 1.30 -0.08 0.00 0.36 0.00 0.00 54.97 56.44 1yar s GLU 121 Cb -0.14 -3.07 -0.01 0.00 0.26 0.00 0.00 34.13 31.18 1yar s GLU 121 CO 0.01 0.43 0.20 0.34 -0.54 0.00 0.00 175.26 175.71 1yar s ASP 122 N -1.38 0.12 0.26 -1.70 -1.08 -0.59 -4.98 116.67 107.33 1yar s ASP 122 Ca 0.43 -0.75 0.04 0.00 -0.52 0.00 0.00 52.55 51.75 1yar s ASP 122 Cb -0.22 0.36 0.33 0.00 -1.46 0.00 0.00 42.92 41.93 1yar s ASP 122 CO 0.27 -0.77 1.62 0.16 0.52 0.00 0.00 175.17 176.97 1yar h ILE 123 N 2.71 1.34 -3.62 4.11 3.07 -1.95 -3.33 117.51 119.85 1yar h ILE 123 Ca -0.33 -1.72 -0.07 0.00 1.55 0.00 0.00 64.86 64.29 1yar h ILE 123 Cb 1.20 1.79 -0.13 0.00 -0.27 0.00 0.00 36.82 39.42 1yar h ILE 123 CO 0.55 0.51 -0.22 -0.72 -1.05 0.00 0.00 178.15 177.22 1yar s TYR 124 N -4.00 0.01 0.17 0.16 -0.85 -1.26 -0.81 117.35 110.77 1yar s TYR 124 Ca -0.05 -0.38 -0.21 0.00 -0.52 0.00 0.00 57.07 55.91 1yar s TYR 124 Cb 0.13 0.10 0.05 0.00 0.38 0.00 0.00 41.96 42.62 1yar s TYR 124 CO 0.79 -0.64 0.56 0.00 -1.52 0.00 0.00 175.55 174.74 1yar s ALA 125 N -3.85 -1.35 -0.05 9.51 0.00 -0.23 -5.01 121.76 120.78 1yar s ALA 125 Ca 0.05 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.13 1yar s ALA 125 Cb 0.03 0.84 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1yar s ALA 125 CO -0.10 -0.77 0.27 0.45 0.00 0.00 0.00 175.76 175.60 1yar s SER 126 N -2.79 -0.19 0.26 0.00 0.15 -1.26 -1.19 113.70 108.67 1yar s SER 126 Ca 0.03 0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.93 1yar s SER 126 Cb -0.01 0.40 -0.05 0.00 -1.71 0.00 0.00 66.02 64.65 1yar s SER 126 CO -0.10 -0.29 0.06 0.42 1.20 0.00 0.00 173.24 174.53 1yar s THR 127 N -0.74 0.82 0.00 6.45 -4.23 -0.79 -4.89 115.64 112.26 1yar s THR 127 Ca -0.08 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1yar s THR 127 Cb -0.04 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1yar s THR 127 CO 0.02 -0.12 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1yar n GLY 128 N -0.48 -0.04 0.34 3.99 0.00 -1.26 -1.82 105.19 105.92 1yar n GLY 128 Ca -0.02 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.35 1yar n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yar h SER 129 N 0.00 0.00 0.66 1.61 4.64 -1.68 -1.62 113.55 117.16 1yar h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yar h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1yar h SER 129 CO 0.00 0.00 -0.19 0.61 -0.87 0.00 0.00 176.83 176.38 1yar n GLY 130 N -1.40 -1.27 0.36 -0.77 0.00 -0.15 -4.49 105.19 97.48 1yar n GLY 130 Ca 0.02 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.83 1yar n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yar h SER 131 N 0.15 0.94 -0.91 1.61 4.64 -1.43 -2.45 113.55 116.10 1yar h SER 131 Ca 0.00 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.38 1yar h SER 131 Cb 0.46 -0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 62.27 1yar h SER 131 CO 0.00 0.64 0.57 -0.65 -0.87 0.00 0.00 176.83 176.52 1yar h PRO 132 N 1.09 0.98 -0.54 4.77 0.11 -1.82 0.22 132.00 136.81 1yar h PRO 132 Ca 0.35 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.35 1yar h PRO 132 Cb 0.03 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 1yar h PRO 132 CO -0.11 0.65 0.12 0.74 -0.21 0.00 0.00 178.00 179.19 1yar h PHE 133 N 1.01 0.91 -0.53 0.65 0.04 -1.77 -1.87 116.94 115.38 1yar h PHE 133 Ca 0.40 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 61.07 1yar h PHE 133 Cb 0.22 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 1yar h PHE 133 CO -0.02 0.80 0.35 0.28 -0.60 0.00 0.00 178.31 179.12 1yar h VAL 134 N 0.76 1.13 -0.20 -0.55 2.07 -1.18 -2.68 116.25 115.60 1yar h VAL 134 Ca 0.17 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1yar h VAL 134 Cb 0.36 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1yar h VAL 134 CO 0.00 0.13 -0.06 1.88 0.02 0.00 0.00 177.57 179.54 1yar h TYR 135 N 0.71 0.32 0.18 1.57 0.05 -0.15 -0.41 116.97 119.24 1yar h TYR 135 Ca 0.19 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.95 1yar h TYR 135 Cb -0.08 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 1yar h TYR 135 CO -0.04 0.38 -0.17 0.78 -1.05 0.00 0.00 178.16 178.07 1yar h GLY 136 N 0.71 -0.36 0.88 3.88 0.00 -1.04 0.00 103.07 107.14 1yar h GLY 136 Ca 0.07 0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.61 1yar h GLY 136 CO 0.01 -0.17 0.20 -2.08 0.00 0.00 0.00 176.54 174.51 1yar h VAL 137 N -0.37 1.02 -0.42 4.60 2.07 -1.09 -1.88 116.25 120.17 1yar h VAL 137 Ca 0.00 -0.14 -0.11 0.00 0.82 0.00 0.00 66.70 67.27 1yar h VAL 137 Cb 0.35 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1yar h VAL 137 CO -0.04 0.08 -0.15 -0.07 0.02 0.00 0.00 177.57 177.41 1yar h LEU 138 N 0.41 0.86 -0.91 2.57 3.38 -1.04 0.87 115.31 121.46 1yar h LEU 138 Ca 0.15 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.78 1yar h LEU 138 Cb 0.03 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 1yar h LEU 138 CO -0.08 1.05 0.59 -0.33 0.09 0.00 0.00 178.44 179.76 1yar h GLU 139 N 0.67 1.09 0.02 1.13 4.39 -0.84 0.13 114.58 121.17 1yar h GLU 139 Ca 0.10 -0.07 -0.22 0.00 0.34 0.00 0.00 59.36 59.52 1yar h GLU 139 Cb 0.70 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1yar h GLU 139 CO 0.05 0.72 -0.95 1.03 -1.16 0.00 0.00 179.01 178.70 1yar h SER 140 N 1.13 0.35 0.00 1.42 0.87 -1.03 -3.41 113.55 112.87 1yar h SER 140 Ca 0.37 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1yar h SER 140 Cb 0.04 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1yar h SER 140 CO -0.13 1.12 -0.81 0.00 -0.53 0.00 0.00 176.83 176.48 1yar n GLN 141 N -3.65 1.26 -2.02 2.24 6.02 0.27 -5.04 117.38 116.46 1yar n GLN 141 Ca -0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.53 1yar n GLN 141 Cb 0.85 -0.90 -0.01 0.00 1.02 0.00 0.00 30.24 31.19 1yar n GLN 141 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1yar s TYR 142 N -1.63 2.89 -0.01 1.08 5.04 0.41 -5.02 117.35 120.10 1yar s TYR 142 Ca 0.00 1.34 0.01 0.00 -2.44 0.00 0.00 57.07 55.98 1yar s TYR 142 Cb 0.00 -3.78 0.01 0.00 0.35 0.00 0.00 41.96 38.54 1yar s TYR 142 CO 0.00 -2.21 -0.03 0.45 -1.34 0.00 0.00 175.55 172.42 1yar s SER 143 N -0.41 0.51 0.49 4.32 0.15 -1.26 -4.98 113.70 112.52 1yar s SER 143 Ca 0.51 -0.07 0.33 0.00 0.70 0.00 0.00 55.95 57.42 1yar s SER 143 Cb -0.42 -0.14 1.71 0.00 -1.71 0.00 0.00 66.02 65.46 1yar s SER 143 CO 0.56 0.00 2.01 -0.33 1.20 0.00 0.00 173.24 176.68 1yar h GLU 144 N 6.48 0.00 -0.02 5.44 5.08 -1.96 -2.42 114.58 127.18 1yar h GLU 144 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1yar h GLU 144 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1yar h GLU 144 CO 0.49 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.13 1yar n LYS 145 N -2.71 1.66 -1.96 2.33 5.02 -1.26 -4.34 118.16 116.90 1yar n LYS 145 Ca -0.01 -0.96 -0.38 0.00 -2.02 0.00 0.00 58.31 54.93 1yar n LYS 145 Cb 0.11 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.66 1yar n LYS 145 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1yar s MET 146 N -1.99 3.50 0.78 1.97 -1.94 -0.92 -5.03 119.30 115.67 1yar s MET 146 Ca 0.38 2.11 -0.11 0.00 -1.71 0.00 0.00 55.69 56.36 1yar s MET 146 Cb 0.21 -2.42 0.06 0.00 2.01 0.00 0.00 34.83 34.69 1yar s MET 146 CO 0.33 -0.87 1.09 0.95 -0.01 0.00 0.00 175.02 176.52 1yar s THR 147 N -1.35 3.26 0.23 2.05 -4.23 -1.26 -4.71 115.64 109.63 1yar s THR 147 Ca 0.66 0.41 -0.06 0.00 -1.18 0.00 0.00 61.69 61.52 1yar s THR 147 Cb -0.37 -3.14 0.19 0.00 1.34 0.00 0.00 72.50 70.52 1yar s THR 147 CO 0.45 -0.53 1.75 0.58 -0.54 0.00 0.00 174.62 176.33 1yar h VAL 148 N -1.03 0.75 -0.89 2.29 2.07 -1.98 -0.03 116.25 117.43 1yar h VAL 148 Ca -0.46 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1yar h VAL 148 Cb 1.26 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1yar h VAL 148 CO 0.58 0.09 0.48 0.44 0.02 0.00 0.00 177.57 179.19 1yar h ASP 149 N 0.50 1.12 -0.46 0.57 3.45 -1.99 0.50 116.42 120.11 1yar h ASP 149 Ca 0.37 -0.10 -0.10 0.00 0.43 0.00 0.00 57.03 57.63 1yar h ASP 149 Cb 0.49 -0.29 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 1yar h ASP 149 CO -0.34 0.90 -0.10 -0.33 -1.57 0.00 0.00 179.24 177.81 1yar h GLU 150 N 1.25 0.92 -0.32 3.56 5.08 -1.80 -2.38 114.58 120.89 1yar h GLU 150 Ca 0.31 -0.32 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 1yar h GLU 150 Cb 0.04 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1yar h GLU 150 CO -0.05 0.97 -0.27 0.78 -1.00 0.00 0.00 179.01 179.44 1yar h GLY 151 N 0.97 0.71 0.91 -3.84 0.00 -0.50 -0.73 103.07 100.58 1yar h GLY 151 Ca 0.14 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 1yar h GLY 151 CO 0.04 0.57 0.10 -2.08 0.00 0.00 0.00 176.54 175.17 1yar h VAL 152 N 0.56 1.20 -0.85 4.60 2.07 -0.84 -1.88 116.25 121.12 1yar h VAL 152 Ca 0.07 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1yar h VAL 152 Cb 0.76 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1yar h VAL 152 CO 0.06 0.22 0.49 0.44 0.02 0.00 0.00 177.57 178.80 1yar h ASP 153 N 0.36 1.03 -0.21 0.57 3.32 -1.21 -2.13 116.42 118.16 1yar h ASP 153 Ca 0.10 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.10 1yar h ASP 153 Cb 0.25 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1yar h ASP 153 CO -0.00 0.81 0.02 0.25 -1.72 0.00 0.00 179.24 178.60 1yar h LEU 154 N 1.17 -0.03 -0.90 1.55 5.85 -0.91 0.93 115.31 122.96 1yar h LEU 154 Ca 0.30 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.95 1yar h LEU 154 Cb -0.01 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1yar h LEU 154 CO -0.05 0.01 -0.39 -0.37 -0.34 0.00 0.00 178.44 177.30 1yar h VAL 155 N 0.10 1.30 -0.29 1.05 -1.51 -1.15 0.22 116.25 115.97 1yar h VAL 155 Ca 0.10 -1.50 -0.03 0.00 -1.23 0.00 0.00 66.70 64.04 1yar h VAL 155 Cb 0.11 1.62 -0.01 0.00 -2.13 0.00 0.00 31.29 30.88 1yar h VAL 155 CO -0.15 0.45 0.05 0.40 -1.23 0.00 0.00 177.57 177.10 1yar h ILE 156 N 0.27 1.23 -0.70 7.19 2.04 -1.06 -0.62 117.51 125.86 1yar h ILE 156 Ca 0.03 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 1yar h ILE 156 Cb 0.81 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 1yar h ILE 156 CO 0.06 0.26 0.40 0.03 0.00 0.00 0.00 178.15 178.90 1yar h ARG 157 N 0.30 0.97 -0.16 2.37 3.08 -0.30 0.07 114.38 120.70 1yar h ARG 157 Ca 0.09 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1yar h ARG 157 Cb 0.34 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1yar h ARG 157 CO 0.01 0.71 0.06 0.00 -1.07 0.00 0.00 179.97 179.68 1yar h ALA 158 N 1.20 0.21 -0.23 0.04 0.00 -0.80 -0.53 119.26 119.16 1yar h ALA 158 Ca 0.25 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1yar h ALA 158 Cb 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1yar h ALA 158 CO -0.04 -0.19 -0.48 0.82 0.00 0.00 0.00 179.25 179.35 1yar h ILE 159 N 0.10 1.31 -0.71 0.00 2.04 -1.03 -1.38 117.51 117.84 1yar h ILE 159 Ca 0.05 -1.69 -0.04 0.00 1.00 0.00 0.00 64.86 64.18 1yar h ILE 159 Cb 0.19 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1yar h ILE 159 CO -0.00 0.53 0.28 0.28 0.00 0.00 0.00 178.15 179.24 1yar h SER 160 N 0.48 0.98 -0.58 1.72 0.02 -0.88 0.31 113.55 115.59 1yar h SER 160 Ca 0.02 -0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1yar h SER 160 Cb 1.02 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 1yar h SER 160 CO 0.09 0.88 0.36 0.00 -1.14 0.00 0.00 176.83 177.03 1yar h ALA 161 N 1.13 0.75 -0.71 3.77 0.00 -0.87 -2.20 119.26 121.13 1yar h ALA 161 Ca 0.24 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1yar h ALA 161 Cb 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1yar h ALA 161 CO -0.02 0.10 0.36 0.00 0.00 0.00 0.00 179.25 179.70 1yar h ALA 162 N 1.25 0.91 -0.47 0.00 0.00 -0.79 -2.47 119.26 117.69 1yar h ALA 162 Ca 0.23 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1yar h ALA 162 Cb -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1yar h ALA 162 CO -0.09 0.46 0.31 0.87 0.00 0.00 0.00 179.25 180.80 1yar h LYS 163 N 0.99 0.55 0.00 0.00 1.57 -0.57 0.17 116.57 119.27 1yar h LYS 163 Ca 0.25 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1yar h LYS 163 Cb 0.08 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1yar h LYS 163 CO -0.04 0.36 -0.12 1.96 -0.57 0.00 0.00 179.45 181.05 1yar h GLN 164 N 0.56 0.00 0.00 3.15 1.08 -0.93 -3.35 115.11 115.63 1yar h GLN 164 Ca 0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 1yar h GLN 164 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1yar h GLN 164 CO -0.04 0.12 0.00 0.54 -0.95 0.00 0.00 178.83 178.49 1yar n ARG 165 N -3.37 4.61 -3.98 1.46 5.12 -0.55 -4.95 116.66 115.01 1yar n ARG 165 Ca -0.01 -0.03 -0.34 0.00 -1.93 0.00 0.00 57.85 55.54 1yar n ARG 165 Cb 0.30 -0.41 -0.14 0.00 -1.16 0.00 0.00 32.46 31.05 1yar n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1yar s ASP 166 N -0.67 4.55 0.38 0.55 2.15 0.49 -4.99 116.67 119.13 1yar s ASP 166 Ca 0.00 -1.22 0.28 0.00 0.43 0.00 0.00 52.55 52.04 1yar s ASP 166 Cb 0.00 -1.64 1.22 0.00 -0.30 0.00 0.00 42.92 42.20 1yar s ASP 166 CO 0.00 -0.20 1.83 0.77 -0.17 0.00 0.00 175.17 177.40 1yar h SER 167 N 7.92 0.00 -0.07 -0.34 4.64 -1.86 -1.90 113.55 121.93 1yar h SER 167 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1yar h SER 167 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1yar h SER 167 CO 0.52 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.48 1yar n ALA 168 N -1.88 2.57 -2.56 5.18 0.00 -1.26 -4.83 120.51 117.72 1yar n ALA 168 Ca 0.01 -0.37 -0.30 0.00 0.00 0.00 0.00 53.44 52.78 1yar n ALA 168 Cb 0.21 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 1yar n ALA 168 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1yar s SER 169 N -1.71 4.34 0.00 0.00 0.01 -0.71 -1.58 113.70 114.05 1yar s SER 169 Ca 0.34 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1yar s SER 169 Cb 0.17 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.58 1yar s SER 169 CO 0.28 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.73 1yar n GLY 170 N 0.84 1.11 2.32 3.44 0.00 -1.26 -4.82 105.19 106.81 1yar n GLY 170 Ca -0.14 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 44.95 1yar n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yar n GLY 171 N -0.43 -2.45 3.77 -0.02 0.00 -1.26 -1.48 105.19 103.31 1yar n GLY 171 Ca 0.00 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 1yar n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1yar s MET 172 N -0.41 3.94 0.01 1.61 -2.45 -1.26 -4.65 119.30 116.08 1yar s MET 172 Ca 0.00 2.11 -0.24 0.00 -1.25 0.00 0.00 55.69 56.31 1yar s MET 172 Cb 0.00 -2.72 -0.05 0.00 1.25 0.00 0.00 34.83 33.31 1yar s MET 172 CO 0.00 -0.50 0.71 0.42 1.05 0.00 0.00 175.02 176.70 1yar s ILE 173 N -1.29 4.85 -0.15 10.11 1.01 -1.26 -3.80 121.20 130.67 1yar s ILE 173 Ca 0.58 1.50 -0.01 0.00 0.00 0.00 0.00 60.65 62.72 1yar s ILE 173 Cb -0.37 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 38.03 1yar s ILE 173 CO 0.47 0.35 -0.12 -0.62 0.00 0.00 0.00 174.94 175.02 1yar s ASP 174 N 0.12 4.04 -0.03 3.58 2.15 0.02 -4.99 116.67 121.57 1yar s ASP 174 Ca 0.37 -0.35 0.03 0.00 0.43 0.00 0.00 52.55 53.03 1yar s ASP 174 Cb -0.19 -1.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.80 1yar s ASP 174 CO 0.20 0.12 -0.11 -0.69 -0.17 0.00 0.00 175.17 174.53 1yar s VAL 175 N 0.60 0.95 0.05 1.11 1.01 -1.26 -1.59 120.40 121.27 1yar s VAL 175 Ca -0.07 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.54 1yar s VAL 175 Cb -0.15 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1yar s VAL 175 CO 0.03 0.29 -0.21 0.00 0.00 0.00 0.00 175.10 175.21 1yar s ALA 176 N 0.17 1.81 -0.08 5.51 0.00 0.03 -0.78 121.76 128.41 1yar s ALA 176 Ca -0.03 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.88 1yar s ALA 176 Cb -0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1yar s ALA 176 CO 0.01 0.40 -0.22 0.08 0.00 0.00 0.00 175.76 176.04 1yar s VAL 177 N -0.83 2.33 -0.18 0.00 1.01 -0.12 -1.47 120.40 121.14 1yar s VAL 177 Ca 0.08 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1yar s VAL 177 Cb -0.09 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.43 1yar s VAL 177 CO 0.02 0.56 -0.19 -0.63 0.00 0.00 0.00 175.10 174.86 1yar s ILE 178 N -0.05 2.03 0.11 2.22 1.01 0.10 -1.07 121.20 125.56 1yar s ILE 178 Ca -0.06 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.67 1yar s ILE 178 Cb -0.15 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1yar s ILE 178 CO 0.05 0.51 -0.08 0.42 0.00 0.00 0.00 174.94 175.84 1yar s THR 179 N 1.29 0.83 0.27 2.92 -4.23 -0.56 -1.95 115.64 114.22 1yar s THR 179 Ca 0.04 -1.94 -0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1yar s THR 179 Cb -0.13 -1.70 0.15 0.00 1.34 0.00 0.00 72.50 72.17 1yar s THR 179 CO -0.13 -0.82 1.82 -0.09 -0.54 0.00 0.00 174.62 174.87 1yar h ARG 180 N 2.97 0.87 -0.18 3.99 9.65 -1.86 0.14 114.38 129.95 1yar h ARG 180 Ca -0.36 -0.18 -0.10 0.00 -1.10 0.00 0.00 59.98 58.25 1yar h ARG 180 Cb 1.17 -0.13 -0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1yar h ARG 180 CO 0.63 0.77 -0.27 -0.22 2.80 0.00 0.00 179.97 183.69 1yar h LYS 181 N 0.84 0.51 -0.01 0.20 3.64 -1.96 -3.34 116.57 116.46 1yar h LYS 181 Ca 0.19 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1yar h LYS 181 Cb 0.29 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1yar h LYS 181 CO -0.00 0.90 -0.18 -0.25 -2.27 0.00 0.00 179.45 177.64 1yar n ASP 182 N -4.39 1.44 0.00 4.20 8.00 -1.22 -5.10 116.55 119.48 1yar n ASP 182 Ca -0.06 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.22 1yar n ASP 182 Cb 0.45 0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 1yar n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yar n GLY 183 N 0.88 -0.07 3.61 0.44 0.00 0.48 -4.61 105.19 105.92 1yar n GLY 183 Ca 0.05 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 1yar n GLY 183 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yar s TYR 184 N 0.00 3.23 -0.17 1.61 6.14 -1.19 -1.50 117.35 125.46 1yar s TYR 184 Ca 0.00 0.78 0.01 0.00 0.64 0.00 0.00 57.07 58.49 1yar s TYR 184 Cb 0.00 -3.08 0.03 0.00 0.42 0.00 0.00 41.96 39.33 1yar s TYR 184 CO 0.00 -0.49 -0.15 0.08 0.64 0.00 0.00 175.55 175.63 1yar s VAL 185 N 2.78 1.76 -0.14 3.14 1.01 -0.23 -5.00 120.40 123.72 1yar s VAL 185 Ca 0.30 -0.84 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 1yar s VAL 185 Cb -0.15 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1yar s VAL 185 CO 0.11 0.41 0.93 -1.58 0.00 0.00 0.00 175.10 174.97 1yar s GLN 186 N 1.39 4.37 0.28 2.72 0.74 -1.26 -0.94 119.66 126.96 1yar s GLN 186 Ca 0.03 1.23 -0.29 0.00 0.05 0.00 0.00 55.36 56.37 1yar s GLN 186 Cb -0.14 -3.56 -0.10 0.00 1.10 0.00 0.00 33.01 30.32 1yar s GLN 186 CO -0.11 -0.32 1.27 -0.51 -0.55 0.00 0.00 175.29 175.07 1yar s LEU 187 N 2.09 4.45 0.53 3.68 1.43 0.04 -4.98 118.68 125.92 1yar s LEU 187 Ca 0.44 2.54 -0.21 0.00 -1.03 0.00 0.00 54.13 55.86 1yar s LEU 187 Cb -0.17 -3.63 -0.05 0.00 0.03 0.00 0.00 46.19 42.36 1yar s LEU 187 CO 0.15 -0.47 1.26 -2.84 0.23 0.00 0.00 176.35 174.69 1yar s PRO 188 N -1.24 3.27 0.29 1.29 0.02 -1.26 -4.71 135.00 132.66 1yar s PRO 188 Ca 0.50 1.99 -0.00 0.00 0.02 0.00 0.00 61.00 63.51 1yar s PRO 188 Cb -0.38 -2.21 0.48 0.00 0.02 0.00 0.00 34.50 32.41 1yar s PRO 188 CO 0.47 -1.01 1.90 1.15 -0.33 0.00 0.00 177.00 179.18 1yar h THR 189 N 1.42 1.07 -0.16 0.99 2.02 -1.94 -2.02 112.91 114.29 1yar h THR 189 Ca -0.50 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 1yar h THR 189 Cb 1.28 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1yar h THR 189 CO 0.57 0.20 -0.01 -2.24 0.37 0.00 0.00 175.52 174.41 1yar h ASP 190 N 1.09 0.21 -0.28 4.18 2.03 -1.99 0.14 116.42 121.80 1yar h ASP 190 Ca 0.41 -0.02 -0.08 0.00 -0.73 0.00 0.00 57.03 56.60 1yar h ASP 190 Cb 0.19 -0.05 -0.01 0.00 -0.83 0.00 0.00 39.33 38.63 1yar h ASP 190 CO -0.16 0.27 -0.15 -0.61 -1.03 0.00 0.00 179.24 177.56 1yar h GLN 191 N 0.23 0.59 -0.28 4.15 4.15 -1.74 -2.01 115.11 120.21 1yar h GLN 191 Ca 0.05 -0.27 -0.01 0.00 0.77 0.00 0.00 58.65 59.19 1yar h GLN 191 Cb 0.18 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 1yar h GLN 191 CO 0.00 0.84 0.11 0.82 -1.93 0.00 0.00 178.83 178.68 1yar h ILE 192 N 0.33 1.17 -1.00 2.39 1.08 -1.06 -1.75 117.51 118.67 1yar h ILE 192 Ca 0.06 -0.51 0.07 0.00 -0.39 0.00 0.00 64.86 64.08 1yar h ILE 192 Cb 0.67 1.00 -0.07 0.00 -3.07 0.00 0.00 36.82 35.36 1yar h ILE 192 CO 0.04 0.18 0.65 -0.33 -0.69 0.00 0.00 178.15 178.00 1yar h GLU 193 N 0.30 1.14 -0.50 2.37 5.08 -0.80 -0.90 114.58 121.27 1yar h GLU 193 Ca 0.09 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1yar h GLU 193 Cb 0.17 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1yar h GLU 193 CO -0.01 0.75 0.21 1.03 -1.00 0.00 0.00 179.01 180.00 1yar h SER 194 N 1.17 0.68 -0.15 1.42 0.87 -0.99 -1.66 113.55 114.89 1yar h SER 194 Ca 0.43 -0.16 -0.12 0.00 -1.23 0.00 0.00 61.79 60.72 1yar h SER 194 Cb 0.18 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1yar h SER 194 CO -0.17 0.65 -0.29 0.03 -0.53 0.00 0.00 176.83 176.52 1yar h ARG 195 N 0.67 0.63 -0.49 2.24 3.08 -0.81 -1.28 114.38 118.42 1yar h ARG 195 Ca 0.17 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 59.97 1yar h ARG 195 Cb 0.17 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1yar h ARG 195 CO -0.02 0.85 0.29 0.82 -1.07 0.00 0.00 179.97 180.85 1yar h ILE 196 N 0.54 1.05 0.21 2.04 2.04 -0.78 -0.51 117.51 122.10 1yar h ILE 196 Ca 0.07 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 1yar h ILE 196 Cb 0.77 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1yar h ILE 196 CO 0.06 0.11 -0.16 0.03 0.00 0.00 0.00 178.15 178.19 1yar h ARG 197 N 0.59 -0.37 0.00 2.37 3.08 -1.13 -0.40 114.38 118.52 1yar h ARG 197 Ca 0.20 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1yar h ARG 197 Cb 0.01 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1yar h ARG 197 CO -0.09 -0.24 0.00 1.57 -1.07 0.00 0.00 179.97 180.14 1yar h LYS 198 N -0.38 0.00 -0.00 0.04 2.10 -0.86 -1.25 116.57 116.22 1yar h LYS 198 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1yar h LYS 198 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1yar h LYS 198 CO -0.01 0.00 -0.36 1.28 -2.00 0.00 0.00 179.45 178.36 1yar n LEU 199 N -2.88 0.65 -0.39 7.07 4.77 -0.23 -4.96 117.00 121.04 1yar n LEU 199 Ca 0.01 -0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 55.89 1yar n LEU 199 Cb 0.27 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1yar n LEU 199 CO 0.25 0.14 -0.02 0.61 -1.33 0.00 0.00 177.39 177.03 1yar n GLY 200 N 1.43 0.34 0.72 -0.72 0.00 -0.47 -5.06 105.19 101.42 1yar n GLY 200 Ca 0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.32 1yar n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yar n LEU 201 N -0.48 0.00 -4.42 0.99 4.77 -0.19 -5.04 117.00 112.63 1yar n LEU 201 Ca -0.03 -0.48 -0.22 0.00 -0.03 0.00 0.00 56.01 55.26 1yar n LEU 201 Cb 0.52 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.45 1yar n LEU 201 CO 0.04 -0.49 -0.45 0.27 -1.33 0.00 0.00 177.39 175.43 1yar s ILE 202 N 0.16 2.13 0.00 -0.08 -4.36 -1.26 -4.67 121.20 113.12 1yar s ILE 202 Ca 0.10 -2.31 0.00 0.00 -0.26 0.00 0.00 60.65 58.19 1yar s ILE 202 Cb -0.01 -2.23 0.00 0.00 1.25 0.00 0.00 42.46 41.48 1yar s ILE 202 CO 0.06 -0.46 0.00 -0.11 0.24 0.00 0.00 174.94 174.67