#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 0.37 0.10 12.58 2.01 -1.26 -1.08 115.64 128.36 1yar s THR 2 Ca 0.00 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.05 1yar s THR 2 Cb 0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 1yar s THR 2 CO 0.00 0.20 -0.10 0.42 -0.69 0.00 0.00 174.62 174.45 1yar s THR 3 N 1.20 0.97 -0.05 -0.82 -4.23 -0.67 -2.33 115.64 109.70 1yar s THR 3 Ca -0.07 -1.65 -0.12 0.00 -1.18 0.00 0.00 61.69 58.67 1yar s THR 3 Cb -0.14 -1.37 0.02 0.00 1.34 0.00 0.00 72.50 72.35 1yar s THR 3 CO -0.02 -0.55 0.29 0.54 -0.54 0.00 0.00 174.62 174.34 1yar s VAL 4 N -2.42 0.04 -0.03 2.29 0.11 0.23 -1.40 120.40 119.22 1yar s VAL 4 Ca 0.06 -0.30 0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1yar s VAL 4 Cb -0.03 -0.52 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1yar s VAL 4 CO 0.00 -0.17 -0.04 -0.83 -3.33 0.00 0.00 175.10 170.74 1yar s GLY 5 N -0.72 0.32 0.10 6.54 0.00 -0.39 -0.76 107.32 112.42 1yar s GLY 5 Ca -0.08 -0.05 0.06 0.00 0.00 0.00 0.00 44.72 44.65 1yar s GLY 5 CO 0.02 0.25 -0.15 -0.26 0.00 0.00 0.00 173.10 172.96 1yar s ILE 6 N 0.56 1.33 -0.02 0.90 -4.36 0.26 -0.94 121.20 118.93 1yar s ILE 6 Ca -0.06 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 58.77 1yar s ILE 6 Cb -0.10 -1.39 -0.04 0.00 1.25 0.00 0.00 42.46 42.19 1yar s ILE 6 CO -0.00 -0.29 0.03 0.42 0.24 0.00 0.00 174.94 175.33 1yar s THR 7 N -1.69 4.37 0.36 8.37 -4.23 -0.07 -1.13 115.64 121.61 1yar s THR 7 Ca 0.05 -0.47 0.03 0.00 -1.18 0.00 0.00 61.69 60.12 1yar s THR 7 Cb -0.07 -2.94 -0.01 0.00 1.34 0.00 0.00 72.50 70.81 1yar s THR 7 CO 0.03 0.42 0.09 0.18 -0.54 0.00 0.00 174.62 174.80 1yar n LEU 8 N 1.48 0.00 -0.39 4.79 4.77 0.21 -4.93 117.00 122.93 1yar n LEU 8 Ca -0.15 -2.58 -0.05 0.00 -0.03 0.00 0.00 56.01 53.19 1yar n LEU 8 Cb 0.53 0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 42.31 1yar n LEU 8 CO 0.34 -0.39 0.53 0.29 -1.33 0.00 0.00 177.39 176.83 1yar n LYS 9 N -0.82 -0.32 -1.24 3.23 5.02 -1.26 -2.93 118.16 119.83 1yar n LYS 9 Ca -0.08 1.50 0.04 0.00 -2.02 0.00 0.00 58.31 57.75 1yar n LYS 9 Cb 0.51 -2.22 0.09 0.00 -0.02 0.00 0.00 35.03 33.40 1yar n LYS 9 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1yar n ASP 10 N -5.35 1.39 -3.79 4.39 10.43 -1.26 -4.69 116.55 117.67 1yar n ASP 10 Ca 0.06 -2.74 -0.11 0.00 2.57 0.00 0.00 54.79 54.57 1yar n ASP 10 Cb 0.33 -0.39 -0.08 0.00 1.84 0.00 0.00 41.12 42.82 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 -1.44 -0.53 -0.03 2.24 0.00 -1.15 -4.47 121.76 116.38 1yar s ALA 11 Ca 0.36 -0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.24 1yar s ALA 11 Cb 0.38 0.32 -0.02 0.00 0.00 0.00 0.00 23.12 23.81 1yar s ALA 11 CO -0.12 -0.40 -0.25 0.08 0.00 0.00 0.00 175.76 175.06 1yar s VAL 12 N -2.67 2.01 -0.11 0.00 1.01 -0.64 -0.62 120.40 119.38 1yar s VAL 12 Ca -0.04 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.89 1yar s VAL 12 Cb -0.00 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1yar s VAL 12 CO -0.04 0.57 -0.21 -0.63 0.00 0.00 0.00 175.10 174.79 1yar s ILE 13 N -0.49 1.85 0.06 2.22 1.01 -0.28 -0.26 121.20 125.30 1yar s ILE 13 Ca 0.07 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 59.91 1yar s ILE 13 Cb -0.11 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 1yar s ILE 13 CO 0.00 0.51 -0.20 -0.04 0.00 0.00 0.00 174.94 175.21 1yar s MET 14 N 0.61 1.29 -0.01 2.79 -1.94 -0.49 -0.58 119.30 120.97 1yar s MET 14 Ca -0.13 -0.97 -0.21 0.00 -1.71 0.00 0.00 55.69 52.67 1yar s MET 14 Cb -0.17 -1.42 0.04 0.00 2.01 0.00 0.00 34.83 35.30 1yar s MET 14 CO 0.04 0.35 0.46 0.00 -0.01 0.00 0.00 175.02 175.86 1yar s ALA 15 N -0.88 -1.17 0.25 3.03 0.00 0.06 -0.71 121.76 122.33 1yar s ALA 15 Ca 0.07 0.64 -0.04 0.00 0.00 0.00 0.00 51.96 52.63 1yar s ALA 15 Cb -0.09 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1yar s ALA 15 CO 0.02 -0.36 0.31 0.95 0.00 0.00 0.00 175.76 176.69 1yar s THR 16 N -1.62 0.00 0.00 0.00 -4.23 -0.38 -0.60 115.64 108.81 1yar s THR 16 Ca -0.10 -1.75 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 1yar s THR 16 Cb -0.02 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.38 1yar s THR 16 CO 0.04 0.00 0.00 -1.84 -0.54 0.00 0.00 174.62 172.28 1yar n GLU 17 N -0.39 3.23 0.00 3.99 -0.00 -0.99 -0.86 120.64 125.62 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 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.08 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 0.01 -2.50 3.44 1.74 -0.34 -4.62 116.66 114.39 1yar n ARG 18 Ca 0.00 -0.18 -0.41 0.00 -0.77 0.00 0.00 57.85 56.48 1yar n ARG 18 Cb 0.00 -0.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.89 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 -0.01 4.54 -0.20 5.56 3.52 -0.85 -0.38 118.95 131.12 1yar s ARG 19 Ca 0.00 1.71 0.00 0.00 -0.13 0.00 0.00 55.73 57.31 1yar s ARG 19 Cb 0.00 -3.32 0.02 0.00 -1.56 0.00 0.00 34.95 30.09 1yar s ARG 19 CO 0.00 -0.05 -0.15 0.08 -0.81 0.00 0.00 175.30 174.37 1yar s VAL 20 N 0.31 2.33 0.28 7.11 1.01 0.32 -4.68 120.40 127.08 1yar s VAL 20 Ca 0.53 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.64 1yar s VAL 20 Cb -0.29 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1yar s VAL 20 CO 0.32 0.42 -0.03 0.42 0.00 0.00 0.00 175.10 176.23 1yar s THR 21 N 1.30 3.21 -0.39 3.92 -4.23 -1.26 -1.49 115.64 116.70 1yar s THR 21 Ca 0.03 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1yar s THR 21 Cb -0.14 -2.75 0.12 0.00 1.34 0.00 0.00 72.50 71.06 1yar s THR 21 CO -0.10 -0.36 0.16 -0.32 -0.54 0.00 0.00 174.62 173.46 1yar s MET 22 N -3.65 1.24 6.09 3.99 -2.45 0.03 -4.89 119.30 119.65 1yar s MET 22 Ca 0.32 -1.78 0.00 0.00 -1.25 0.00 0.00 55.69 52.97 1yar s MET 22 Cb -0.06 -2.53 0.00 0.00 1.25 0.00 0.00 34.83 33.50 1yar s MET 22 CO 0.19 -1.06 0.00 0.39 1.05 0.00 0.00 175.02 175.59 1yar n GLU 23 N 4.02 0.00 0.00 4.11 1.02 -1.26 -1.45 120.64 127.07 1yar n GLU 23 Ca 0.04 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.31 1yar n GLU 23 Cb 0.38 0.00 0.65 0.00 -0.02 0.00 0.00 31.44 32.45 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 6.22 0.00 -4.59 1.62 0.23 -1.26 -4.82 115.26 112.66 1yar n ASN 24 Ca 0.00 0.17 -0.42 0.00 -0.53 0.00 0.00 54.58 53.80 1yar n ASN 24 Cb 0.00 -0.39 -0.04 0.00 -2.08 0.00 0.00 39.78 37.27 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 -2.77 3.08 -0.87 -2.53 5.99 -0.53 -4.98 117.98 115.36 1yar s PHE 25 Ca 0.20 0.65 -0.25 0.00 0.00 0.00 0.00 56.93 57.54 1yar s PHE 25 Cb 0.18 -3.59 0.04 0.00 0.00 0.00 0.00 43.02 39.66 1yar s PHE 25 CO 0.46 -0.82 1.37 0.42 -0.00 0.00 0.00 175.22 176.66 1yar s ILE 26 N 3.36 3.81 -0.00 3.12 1.01 -1.26 -0.79 121.20 130.44 1yar s ILE 26 Ca 0.35 -0.16 -0.22 0.00 0.00 0.00 0.00 60.65 60.62 1yar s ILE 26 Cb -0.12 -4.97 -0.19 0.00 0.01 0.00 0.00 42.46 37.18 1yar s ILE 26 CO 0.19 -1.88 1.18 0.24 0.00 0.00 0.00 174.94 174.67 1yar h MET 27 N 9.98 0.28 -3.94 2.79 2.86 -1.61 -3.45 114.93 121.84 1yar h MET 27 Ca -0.05 -0.21 -0.35 0.00 -2.06 0.00 0.00 59.70 57.03 1yar h MET 27 Cb 1.03 0.04 -0.32 0.00 0.06 0.00 0.00 31.60 32.41 1yar h MET 27 CO 1.35 0.85 -0.75 -1.01 1.06 0.00 0.00 176.91 178.41 1yar s HIS 28 N -3.69 0.45 -0.88 -0.22 3.76 -0.93 -5.01 115.29 108.76 1yar s HIS 28 Ca -0.15 -0.08 0.24 0.00 -0.15 0.00 0.00 55.06 54.93 1yar s HIS 28 Cb 0.03 -0.43 0.28 0.00 1.11 0.00 0.00 32.58 33.57 1yar s HIS 28 CO 0.76 -0.11 1.25 1.63 -0.85 0.00 0.00 174.74 177.41 1yar n LYS 29 N 3.78 0.09 -2.70 1.40 5.02 -1.26 -0.52 118.16 123.97 1yar n LYS 29 Ca -0.23 0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 55.93 1yar n LYS 29 Cb 0.53 -1.54 0.01 0.00 -0.02 0.00 0.00 35.03 34.01 1yar n LYS 29 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1yar n ASN 30 N -1.66 2.11 -4.78 4.39 2.85 -1.24 -4.34 115.26 112.59 1yar n ASN 30 Ca 0.04 -2.98 -0.30 0.00 -0.11 0.00 0.00 54.58 51.23 1yar n ASN 30 Cb 0.37 -0.53 0.10 0.00 1.24 0.00 0.00 39.78 40.95 1yar n ASN 30 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1yar s GLY 31 N -3.13 1.63 -0.14 8.20 0.00 0.49 -5.05 107.32 109.33 1yar s GLY 31 Ca 0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 44.72 44.95 1yar s GLY 31 CO -0.03 0.33 -0.08 1.25 0.00 0.00 0.00 173.10 174.57 1yar s LYS 32 N -5.06 3.48 0.00 2.90 2.20 -1.26 -4.60 119.74 117.39 1yar s LYS 32 Ca 0.61 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.63 1yar s LYS 32 Cb -0.15 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 1yar s LYS 32 CO 0.55 0.27 0.24 1.63 -0.36 0.00 0.00 175.35 177.68 1yar n LYS 33 N 3.42 -0.29 -4.43 4.03 5.02 -1.26 -5.01 118.16 119.64 1yar n LYS 33 Ca -0.18 -0.24 -0.27 0.00 -2.02 0.00 0.00 58.31 55.60 1yar n LYS 33 Cb 0.53 -0.73 -0.17 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.06 1.64 0.01 -0.35 2.96 -1.26 -1.65 118.68 119.98 1yar s LEU 34 Ca 0.00 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1yar s LEU 34 Cb 0.00 -1.00 -0.01 0.00 0.50 0.00 0.00 46.19 45.68 1yar s LEU 34 CO 0.00 0.00 -0.06 -0.36 -1.32 0.00 0.00 176.35 174.62 1yar s PHE 35 N 1.00 0.51 -0.13 5.38 0.08 -0.45 -4.99 117.98 119.36 1yar s PHE 35 Ca -0.07 -0.19 -0.28 0.00 0.12 0.00 0.00 56.93 56.51 1yar s PHE 35 Cb -0.15 -0.32 -0.01 0.00 -0.57 0.00 0.00 43.02 41.97 1yar s PHE 35 CO -0.01 -0.03 0.96 -1.14 -0.10 0.00 0.00 175.22 174.90 1yar s GLN 36 N -0.48 4.38 -0.00 0.44 0.74 -1.26 -1.07 119.66 122.40 1yar s GLN 36 Ca -0.01 1.28 0.09 0.00 0.05 0.00 0.00 55.36 56.77 1yar s GLN 36 Cb -0.04 -3.56 -0.10 0.00 1.10 0.00 0.00 33.01 30.41 1yar s GLN 36 CO -0.00 -0.34 0.38 0.44 -0.55 0.00 0.00 175.29 175.22 1yar n ILE 37 N 4.65 0.00 -3.94 -2.34 -5.35 -0.06 -4.95 119.36 107.37 1yar n ILE 37 Ca 0.08 -0.28 -0.12 0.00 -0.27 0.00 0.00 62.75 62.16 1yar n ILE 37 Cb 0.49 0.97 -0.00 0.00 -1.74 0.00 0.00 39.64 39.35 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 -1.91 0.49 0.20 7.28 -1.08 -0.92 -4.49 116.67 116.24 1yar s ASP 38 Ca 0.03 -1.34 -0.11 0.00 -0.52 0.00 0.00 52.55 50.61 1yar s ASP 38 Cb 0.07 0.77 0.25 0.00 -1.46 0.00 0.00 42.92 42.55 1yar s ASP 38 CO 0.37 -1.52 1.69 0.74 0.52 0.00 0.00 175.17 176.97 1yar h THR 39 N 2.04 0.62 -0.15 1.71 2.02 -1.97 -2.86 112.91 114.33 1yar h THR 39 Ca -0.31 -0.07 -0.12 0.00 0.77 0.00 0.00 66.41 66.69 1yar h THR 39 Cb 1.24 0.41 -0.12 0.00 -1.74 0.00 0.00 68.15 67.95 1yar h THR 39 CO 0.40 0.04 -0.61 -1.22 0.37 0.00 0.00 175.52 174.49 1yar n TYR 40 N -5.17 0.53 -4.27 3.16 4.01 -1.26 -3.27 117.16 110.88 1yar n TYR 40 Ca 0.07 -1.57 -0.20 0.00 -0.16 0.00 0.00 57.90 56.05 1yar n TYR 40 Cb 0.30 -0.26 -0.16 0.00 -0.31 0.00 0.00 39.34 38.91 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 -3.25 0.66 0.31 -0.72 2.01 -1.08 -1.83 115.64 111.75 1yar s THR 41 Ca 0.40 -0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.25 1yar s THR 41 Cb 0.38 -0.64 -0.06 0.00 0.01 0.00 0.00 72.50 72.18 1yar s THR 41 CO -0.06 0.24 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.20 1yar s GLY 42 N 0.67 2.00 -0.04 4.40 0.00 0.48 -0.88 107.32 113.96 1yar s GLY 42 Ca -0.10 -1.99 -0.03 0.00 0.00 0.00 0.00 44.72 42.60 1yar s GLY 42 CO 0.01 -1.94 0.09 -0.29 0.00 0.00 0.00 173.10 170.97 1yar s MET 43 N -3.66 0.10 0.19 2.90 1.75 -0.24 -1.17 119.30 119.18 1yar s MET 43 Ca 0.31 0.14 0.07 0.00 -1.25 0.00 0.00 55.69 54.96 1yar s MET 43 Cb 0.03 0.03 -0.04 0.00 2.84 0.00 0.00 34.83 37.69 1yar s MET 43 CO 0.14 -0.02 0.04 0.95 -0.65 0.00 0.00 175.02 175.48 1yar s THR 44 N 0.13 3.90 -0.02 10.11 -4.23 -0.02 -1.34 115.64 124.18 1yar s THR 44 Ca -0.01 -1.40 0.06 0.00 -1.18 0.00 0.00 61.69 59.15 1yar s THR 44 Cb -0.01 -2.99 -0.01 0.00 1.34 0.00 0.00 72.50 70.82 1yar s THR 44 CO -0.00 -0.16 -0.18 0.27 -0.54 0.00 0.00 174.62 174.01 1yar s ILE 45 N -1.83 1.43 0.04 2.99 -4.36 -0.66 -2.23 121.20 116.58 1yar s ILE 45 Ca 0.29 -0.77 -0.03 0.00 -0.26 0.00 0.00 60.65 59.88 1yar s ILE 45 Cb -0.09 -1.19 -0.02 0.00 1.25 0.00 0.00 42.46 42.41 1yar s ILE 45 CO 0.20 0.41 0.02 0.00 0.24 0.00 0.00 174.94 175.81 1yar s ALA 46 N -0.41 0.16 0.00 2.27 0.00 -0.84 -4.90 121.76 118.04 1yar s ALA 46 Ca 0.07 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1yar s ALA 46 Cb -0.07 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1yar s ALA 46 CO -0.01 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.87 1yar n GLY 47 N 0.78 0.09 3.64 0.00 0.00 -1.26 -1.73 105.19 106.71 1yar n GLY 47 Ca -0.19 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 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 4.06 0.13 0.99 2.96 0.17 -4.90 118.68 122.09 1yar s LEU 48 Ca 0.00 1.80 -0.22 0.00 -0.22 0.00 0.00 54.13 55.48 1yar s LEU 48 Cb 0.00 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 1yar s LEU 48 CO 0.00 -1.09 1.67 0.58 -1.32 0.00 0.00 176.35 176.19 1yar h VAL 49 N 5.89 0.62 -0.78 1.68 2.07 -1.92 -0.91 116.25 122.89 1yar h VAL 49 Ca -0.34 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.25 1yar h VAL 49 Cb 1.15 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.47 1yar h VAL 49 CO 0.98 0.00 0.45 1.23 0.02 0.00 0.00 177.57 180.26 1yar h GLY 50 N -0.19 1.19 0.93 2.17 0.00 -1.99 0.88 103.07 106.05 1yar h GLY 50 Ca 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 1yar h GLY 50 CO -0.21 0.17 0.11 -0.55 0.00 0.00 0.00 176.54 176.05 1yar h ASP 51 N 0.80 0.26 -0.69 0.19 3.32 -1.84 -2.38 116.42 116.08 1yar h ASP 51 Ca 0.36 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 1yar h ASP 51 Cb 0.26 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1yar h ASP 51 CO -0.21 0.29 0.16 0.00 -1.72 0.00 0.00 179.24 177.75 1yar h ALA 52 N 0.98 0.96 -0.69 3.45 0.00 -0.58 -2.57 119.26 120.80 1yar h ALA 52 Ca 0.07 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1yar h ALA 52 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1yar h ALA 52 CO -0.01 0.67 0.15 1.96 0.00 0.00 0.00 179.25 182.01 1yar h GLN 53 N 1.06 1.12 -0.45 0.00 4.20 -0.74 -0.62 115.11 119.67 1yar h GLN 53 Ca 0.22 -0.28 0.05 0.00 0.06 0.00 0.00 58.65 58.70 1yar h GLN 53 Cb 0.39 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 1yar h GLN 53 CO 0.00 1.00 0.18 0.28 -0.67 0.00 0.00 178.83 179.62 1yar h VAL 54 N 1.05 0.88 -0.54 -0.54 2.07 -1.30 -1.85 116.25 116.03 1yar h VAL 54 Ca 0.21 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 1yar h VAL 54 Cb 0.40 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1yar h VAL 54 CO 0.01 0.07 0.01 -0.07 0.02 0.00 0.00 177.57 177.60 1yar h LEU 55 N 0.36 0.89 -0.24 2.57 3.38 -1.06 0.05 115.31 121.25 1yar h LEU 55 Ca 0.21 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1yar h LEU 55 Cb 0.18 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1yar h LEU 55 CO -0.20 0.94 0.03 0.58 0.09 0.00 0.00 178.44 179.89 1yar h VAL 56 N 0.85 0.87 -0.63 1.22 2.07 -0.89 0.40 116.25 120.13 1yar h VAL 56 Ca 0.16 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1yar h VAL 56 Cb 0.49 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1yar h VAL 56 CO 0.02 0.02 0.40 0.03 0.02 0.00 0.00 177.57 178.06 1yar h ARG 57 N 0.12 0.84 -0.03 1.57 3.08 -0.91 -1.12 114.38 117.92 1yar h ARG 57 Ca 0.11 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1yar h ARG 57 Cb 0.12 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1yar h ARG 57 CO -0.16 0.58 0.01 -0.92 -1.07 0.00 0.00 179.97 178.41 1yar h TYR 58 N 0.85 0.06 -0.80 3.04 3.20 -0.70 -2.30 116.97 120.31 1yar h TYR 58 Ca 0.23 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1yar h TYR 58 Cb -0.06 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 1yar h TYR 58 CO -0.02 0.23 0.51 0.52 -1.64 0.00 0.00 178.16 177.75 1yar h MET 59 N -0.13 1.07 -0.70 1.82 2.86 -0.78 0.23 114.93 119.29 1yar h MET 59 Ca 0.01 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1yar h MET 59 Cb 0.20 -0.23 -0.06 0.00 0.06 0.00 0.00 31.60 31.56 1yar h MET 59 CO -0.00 0.72 0.39 0.87 1.06 0.00 0.00 176.91 179.95 1yar h LYS 60 N 1.09 0.69 -0.04 1.72 1.57 -1.15 -0.94 116.57 119.51 1yar h LYS 60 Ca 0.29 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1yar h LYS 60 Cb -0.09 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 1yar h LYS 60 CO -0.06 0.46 -0.02 0.00 -0.57 0.00 0.00 179.45 179.26 1yar h ALA 61 N 1.37 0.05 -0.47 3.86 0.00 -0.72 -2.48 119.26 120.86 1yar h ALA 61 Ca 0.32 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1yar h ALA 61 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1yar h ALA 61 CO -0.19 -0.21 -0.18 1.49 0.00 0.00 0.00 179.25 180.16 1yar h GLU 62 N -0.33 0.93 -0.13 0.00 4.57 -0.50 -0.60 114.58 118.51 1yar h GLU 62 Ca 0.01 -0.37 -0.16 0.00 -1.18 0.00 0.00 59.36 57.67 1yar h GLU 62 Cb 0.46 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1yar h GLU 62 CO 0.01 1.02 -0.58 -0.07 -1.18 0.00 0.00 179.01 178.21 1yar h LEU 63 N 0.81 0.48 -0.01 1.64 3.38 -1.23 0.75 115.31 121.12 1yar h LEU 63 Ca 0.12 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1yar h LEU 63 Cb 0.73 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1yar h LEU 63 CO 0.06 0.95 0.00 -0.08 0.09 0.00 0.00 178.44 179.46 1yar h GLU 64 N 0.32 0.01 -0.54 1.13 4.81 -1.27 -1.60 114.58 117.43 1yar h GLU 64 Ca -0.00 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1yar h GLU 64 Cb 1.11 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 1yar h GLU 64 CO 0.10 0.12 0.31 1.25 -0.73 0.00 0.00 179.01 180.06 1yar h LEU 65 N -0.10 0.48 -0.49 1.64 5.85 -0.89 -1.66 115.31 120.13 1yar h LEU 65 Ca 0.00 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1yar h LEU 65 Cb 0.11 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1yar h LEU 65 CO -0.00 0.34 0.21 0.22 -0.34 0.00 0.00 178.44 178.86 1yar h TYR 66 N 0.61 0.73 -0.99 1.25 5.03 -0.81 0.01 116.97 122.80 1yar h TYR 66 Ca 0.23 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.49 1yar h TYR 66 Cb 0.07 -0.22 -0.05 0.00 1.55 0.00 0.00 36.73 38.08 1yar h TYR 66 CO -0.07 0.61 0.63 -0.09 -1.32 0.00 0.00 178.16 177.92 1yar h ARG 67 N 0.65 1.32 -0.34 1.82 2.43 -0.98 0.29 114.38 119.57 1yar h ARG 67 Ca 0.16 -0.09 -0.17 0.00 -0.81 0.00 0.00 59.98 59.07 1yar h ARG 67 Cb 0.18 -0.29 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1yar h ARG 67 CO -0.02 0.89 -0.45 -0.07 -1.51 0.00 0.00 179.97 178.81 1yar h LEU 68 N 1.35 0.96 -0.25 3.80 3.38 -0.84 -0.71 115.31 123.00 1yar h LEU 68 Ca 0.36 -0.47 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1yar h LEU 68 Cb -0.12 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.35 1yar h LEU 68 CO -0.07 1.26 -0.20 1.56 0.09 0.00 0.00 178.44 181.08 1yar h GLN 69 N 0.71 0.58 0.00 1.13 4.20 -0.60 -3.33 115.11 117.80 1yar h GLN 69 Ca 0.04 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1yar h GLN 69 Cb 1.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 1yar h GLN 69 CO 0.10 0.87 -0.93 0.54 -0.67 0.00 0.00 178.83 178.75 1yar n ARG 70 N -4.39 0.24 -1.65 1.46 3.00 0.98 -4.96 116.66 111.34 1yar n ARG 70 Ca -0.04 0.01 -0.17 0.00 -0.01 0.00 0.00 57.85 57.63 1yar n ARG 70 Cb 0.41 -1.59 -0.06 0.00 0.00 0.00 0.00 32.46 31.22 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 -1.91 -1.47 -3.89 5.56 1.74 -0.27 -4.97 116.66 111.45 1yar n ARG 71 Ca 0.03 0.99 -0.10 0.00 -0.77 0.00 0.00 57.85 57.99 1yar n ARG 71 Cb 0.42 -5.36 -0.10 0.00 -1.02 0.00 0.00 32.46 26.40 1yar n ARG 71 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1yar s VAL 72 N -2.53 0.10 0.48 1.55 -7.23 -1.24 -5.06 120.40 106.48 1yar s VAL 72 Ca 0.00 -0.86 -0.23 0.00 -1.81 0.00 0.00 61.98 59.08 1yar s VAL 72 Cb 0.00 -0.64 -0.07 0.00 0.56 0.00 0.00 36.38 36.24 1yar s VAL 72 CO 0.00 -0.47 1.24 0.20 -0.31 0.00 0.00 175.10 175.76 1yar s ASN 73 N -1.72 5.88 0.20 4.85 -0.87 -1.26 -4.16 114.94 117.85 1yar s ASN 73 Ca -0.10 2.49 -0.32 0.00 -1.57 0.00 0.00 52.86 53.35 1yar s ASN 73 Cb -0.05 -2.62 -0.12 0.00 -0.02 0.00 0.00 41.25 38.45 1yar s ASN 73 CO -0.01 -1.13 1.74 0.80 -2.57 0.00 0.00 177.10 175.92 1yar n MET 74 N -0.62 2.78 -1.66 -0.60 0.00 -1.26 -4.94 117.12 110.81 1yar n MET 74 Ca 0.08 1.01 -0.39 0.00 -0.00 0.00 0.00 57.70 58.39 1yar n MET 74 Cb 0.47 -2.86 0.03 0.00 0.00 0.00 0.00 33.22 30.86 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 4.18 1.40 -0.34 2.12 -0.02 -1.26 -4.77 135.00 136.31 1yar n PRO 75 Ca 0.16 0.51 0.01 0.00 -2.02 0.00 0.00 63.50 62.17 1yar n PRO 75 Cb 0.35 -2.29 0.18 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.26 1.16 -0.11 4.25 1.08 -1.92 -0.54 117.51 122.70 1yar h ILE 76 Ca -0.48 -0.41 -0.06 0.00 -0.39 0.00 0.00 64.86 63.52 1yar h ILE 76 Cb 1.33 -0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 1yar h ILE 76 CO 0.55 0.22 -0.22 -0.08 -0.69 0.00 0.00 178.15 177.93 1yar h GLU 77 N 1.19 0.19 -0.64 2.37 4.81 -1.99 -1.92 114.58 118.58 1yar h GLU 77 Ca 0.38 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.48 1yar h GLU 77 Cb 0.02 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 1yar h GLU 77 CO -0.12 0.40 0.09 0.00 -0.73 0.00 0.00 179.01 178.66 1yar h ALA 78 N 1.61 0.85 -0.42 2.92 0.00 -1.49 -0.17 119.26 122.56 1yar h ALA 78 Ca 0.03 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1yar h ALA 78 Cb 0.49 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1yar h ALA 78 CO 0.03 0.63 0.21 0.28 0.00 0.00 0.00 179.25 180.40 1yar h VAL 79 N 0.99 0.98 -0.42 0.00 2.07 -0.83 0.14 116.25 119.17 1yar h VAL 79 Ca 0.19 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.47 1yar h VAL 79 Cb 0.45 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1yar h VAL 79 CO 0.02 0.08 -0.14 0.00 0.02 0.00 0.00 177.57 177.54 1yar h ALA 80 N 1.22 0.97 -0.39 1.67 0.00 -1.17 -2.16 119.26 119.41 1yar h ALA 80 Ca 0.18 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1yar h ALA 80 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1yar h ALA 80 CO -0.12 0.61 -0.09 1.15 0.00 0.00 0.00 179.25 180.79 1yar h THR 81 N 0.69 1.28 -0.01 0.00 2.02 -0.65 -0.98 112.91 115.25 1yar h THR 81 Ca 0.11 -1.18 0.02 0.00 0.77 0.00 0.00 66.41 66.14 1yar h THR 81 Cb 0.63 1.23 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 1yar h THR 81 CO 0.04 0.39 -0.16 0.25 0.37 0.00 0.00 175.52 176.42 1yar h LEU 82 N 0.56 -0.45 -0.79 2.58 5.85 -0.63 -1.25 115.31 121.19 1yar h LEU 82 Ca 0.10 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.97 1yar h LEU 82 Cb 0.61 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 1yar h LEU 82 CO 0.04 -0.21 0.45 -0.07 -0.34 0.00 0.00 178.44 178.30 1yar h LEU 83 N -0.25 0.64 0.30 2.25 3.38 -1.35 -0.58 115.31 119.70 1yar h LEU 83 Ca 0.05 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1yar h LEU 83 Cb 0.32 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1yar h LEU 83 CO -0.16 0.38 -0.28 0.28 0.09 0.00 0.00 178.44 178.75 1yar h SER 84 N 0.77 -0.75 -0.31 -0.43 0.02 -0.84 0.89 113.55 112.89 1yar h SER 84 Ca 0.37 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.45 1yar h SER 84 Cb 0.31 0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.05 1yar h SER 84 CO -0.23 -0.41 -0.08 0.78 -1.14 0.00 0.00 176.83 175.75 1yar h ASN 85 N -0.61 -0.30 -0.22 3.07 2.35 -0.99 0.49 115.58 119.38 1yar h ASN 85 Ca -0.01 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1yar h ASN 85 Cb 0.55 0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.10 1yar h ASN 85 CO -0.05 -0.11 0.08 0.24 -1.65 0.00 0.00 177.43 175.95 1yar h MET 86 N -0.01 0.19 -0.25 0.81 2.86 -0.81 -1.41 114.93 116.31 1yar h MET 86 Ca 0.15 -0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.61 1yar h MET 86 Cb 0.24 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1yar h MET 86 CO -0.33 0.12 -0.51 -0.07 1.06 0.00 0.00 176.91 177.18 1yar h LEU 87 N 0.19 0.89 -1.04 1.22 4.07 -0.57 -3.14 115.31 116.93 1yar h LEU 87 Ca 0.09 -0.54 -0.07 0.00 0.08 0.00 0.00 57.88 57.44 1yar h LEU 87 Cb 0.05 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.52 1yar h LEU 87 CO -0.09 1.27 -0.09 -1.13 -1.08 0.00 0.00 178.44 177.32 1yar h ASN 88 N 0.54 0.56 -0.60 -0.43 -0.73 -0.83 -2.63 115.58 111.47 1yar h ASN 88 Ca 0.01 -0.14 0.14 0.00 1.87 0.00 0.00 56.30 58.18 1yar h ASN 88 Cb 1.12 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 39.53 1yar h ASN 88 CO 0.11 0.70 0.42 1.56 -0.37 0.00 0.00 177.43 179.85 1yar h GLN 89 N 0.54 0.18 -0.37 6.67 4.20 -1.21 -1.78 115.11 123.35 1yar h GLN 89 Ca 0.10 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.61 1yar h GLN 89 Cb 0.48 -0.04 -0.11 0.00 0.30 0.00 0.00 27.48 28.10 1yar h GLN 89 CO 0.03 0.12 -0.07 1.33 -0.67 0.00 0.00 178.83 179.57 1yar n VAL 90 N -4.43 2.58 0.27 -0.54 0.24 -1.01 -4.82 118.33 110.63 1yar n VAL 90 Ca 0.11 -2.76 0.12 0.00 -2.04 0.00 0.00 64.34 59.77 1yar n VAL 90 Cb 0.54 -0.33 0.77 0.00 -1.47 0.00 0.00 33.84 33.36 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 1.00 0.00 0.00 7.34 2.10 -1.12 0.03 116.57 125.91 1yar h LYS 91 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1yar h LYS 91 Cb 1.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.03 1yar h LYS 91 CO 0.41 0.04 -0.45 0.66 -2.00 0.00 0.00 179.45 178.11 1yar n TYR 92 N -4.03 0.56 -3.08 0.07 4.02 -1.26 -4.07 117.16 109.36 1yar n TYR 92 Ca -0.03 0.16 -0.23 0.00 -0.01 0.00 0.00 57.90 57.79 1yar n TYR 92 Cb 0.13 -0.67 -0.04 0.00 -0.02 0.00 0.00 39.34 38.74 1yar n TYR 92 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1yar n MET 93 N -2.06 2.18 -1.86 -0.72 2.81 -0.08 -5.13 117.12 112.26 1yar n MET 93 Ca 0.04 -4.19 -0.30 0.00 -1.81 0.00 0.00 57.70 51.44 1yar n MET 93 Cb 0.42 -1.98 0.03 0.00 -0.71 0.00 0.00 33.22 30.99 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 -2.88 3.11 -0.27 0.03 0.04 -0.76 -4.89 135.00 129.37 1yar s PRO 94 Ca 0.44 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 1yar s PRO 94 Cb 0.29 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1yar s PRO 94 CO -0.11 -0.89 1.23 0.71 0.04 0.00 0.00 177.00 177.98 1yar s TYR 95 N -3.28 2.86 -1.42 0.56 1.51 -1.26 -4.96 117.35 111.36 1yar s TYR 95 Ca 0.57 1.01 -0.11 0.00 -1.01 0.00 0.00 57.07 57.52 1yar s TYR 95 Cb -0.11 -3.74 0.06 0.00 -0.11 0.00 0.00 41.96 38.07 1yar s TYR 95 CO 0.53 -1.42 2.25 -1.33 -1.11 0.00 0.00 175.55 174.47 1yar n MET 96 N 7.00 3.32 -4.13 -0.62 2.81 -1.26 -4.58 117.12 119.66 1yar n MET 96 Ca 0.14 -2.87 -0.09 0.00 -1.81 0.00 0.00 57.70 53.07 1yar n MET 96 Cb 0.46 -3.07 -0.10 0.00 -0.71 0.00 0.00 33.22 29.80 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 1.93 0.38 -0.05 2.03 -7.23 -1.26 -0.65 120.40 115.55 1yar s VAL 97 Ca 0.49 -1.87 0.06 0.00 -1.81 0.00 0.00 61.98 58.84 1yar s VAL 97 Cb 0.14 -1.69 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 1yar s VAL 97 CO -0.06 -0.84 -0.22 -1.10 -0.31 0.00 0.00 175.10 172.56 1yar s GLN 98 N -3.91 2.19 0.00 4.82 -0.21 -0.71 -3.07 119.66 118.78 1yar s GLN 98 Ca 0.12 -0.80 0.06 0.00 0.02 0.00 0.00 55.36 54.76 1yar s GLN 98 Cb 0.07 -1.91 -0.02 0.00 1.00 0.00 0.00 33.01 32.15 1yar s GLN 98 CO -0.06 0.36 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.77 1yar s LEU 99 N -0.18 2.08 -0.10 2.90 1.43 -0.16 -1.99 118.68 122.66 1yar s LEU 99 Ca -0.01 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1yar s LEU 99 Cb -0.12 -0.97 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 1yar s LEU 99 CO 0.02 0.21 -0.09 -0.76 0.23 0.00 0.00 176.35 175.96 1yar s LEU 100 N -0.67 3.02 -0.10 1.79 1.43 -0.95 -0.60 118.68 122.60 1yar s LEU 100 Ca 0.07 -0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1yar s LEU 100 Cb -0.08 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1yar s LEU 100 CO 0.00 0.28 -0.23 -0.69 0.23 0.00 0.00 176.35 175.94 1yar s VAL 101 N -0.30 1.96 0.03 -1.59 1.01 -0.39 -0.84 120.40 120.28 1yar s VAL 101 Ca 0.04 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1yar s VAL 101 Cb -0.13 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1yar s VAL 101 CO 0.02 0.54 -0.07 -0.83 0.00 0.00 0.00 175.10 174.76 1yar s GLY 102 N 0.39 0.46 0.00 4.51 0.00 -0.31 -0.43 107.32 111.93 1yar s GLY 102 Ca -0.18 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 43.90 1yar s GLY 102 CO 0.08 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.12 1yar n GLY 103 N 1.82 -1.25 3.12 0.20 0.00 -0.42 -0.38 105.19 108.29 1yar n GLY 103 Ca -0.20 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.28 1.74 0.00 -0.61 -1.09 -0.76 -0.97 121.20 117.23 1yar s ILE 104 Ca 0.00 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.62 1yar s ILE 104 Cb 0.00 -1.55 0.00 0.00 -1.58 0.00 0.00 42.46 39.33 1yar s ILE 104 CO 0.00 0.49 0.00 -0.90 -1.23 0.00 0.00 174.94 173.30 1yar n ASP 105 N 3.99 0.00 0.05 3.58 5.68 -1.26 -4.79 116.55 123.79 1yar n ASP 105 Ca -0.20 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.22 1yar n ASP 105 Cb 0.52 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.90 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 0.27 -3.72 2.12 -2.24 -1.26 -4.93 114.28 104.52 1yar n THR 106 Ca 0.00 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 1yar n THR 106 Cb 0.00 -0.34 -0.04 0.00 -2.10 0.00 0.00 70.33 67.84 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 -3.07 -0.85 0.39 6.98 0.00 -1.26 -5.16 121.76 118.80 1yar s ALA 107 Ca 0.11 -0.22 -0.25 0.00 0.00 0.00 0.00 51.96 51.60 1yar s ALA 107 Cb 0.15 0.80 -0.09 0.00 0.00 0.00 0.00 23.12 23.99 1yar s ALA 107 CO 0.62 -0.73 1.16 -2.14 0.00 0.00 0.00 175.76 174.67 1yar s PRO 108 N -3.86 4.08 -0.05 0.00 0.02 -1.26 -4.33 135.00 129.60 1yar s PRO 108 Ca 0.08 1.83 -0.08 0.00 0.02 0.00 0.00 61.00 62.84 1yar s PRO 108 Cb 0.00 -2.69 0.02 0.00 0.02 0.00 0.00 34.50 31.85 1yar s PRO 108 CO -0.06 -0.29 0.20 -1.01 -0.33 0.00 0.00 177.00 175.51 1yar s HIS 109 N -1.41 -0.15 -0.07 6.54 3.76 -0.14 -4.99 115.29 118.81 1yar s HIS 109 Ca 0.57 0.35 0.02 0.00 -0.15 0.00 0.00 55.06 55.84 1yar s HIS 109 Cb -0.30 0.05 0.01 0.00 1.11 0.00 0.00 32.58 33.45 1yar s HIS 109 CO 0.38 -0.19 -0.12 0.08 -0.85 0.00 0.00 174.74 174.04 1yar s VAL 110 N -0.46 1.16 -0.00 -0.90 1.01 -1.25 -1.30 120.40 118.66 1yar s VAL 110 Ca -0.06 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.53 1yar s VAL 110 Cb -0.04 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 1yar s VAL 110 CO 0.01 0.36 -0.25 -0.36 0.00 0.00 0.00 175.10 174.87 1yar s PHE 111 N 0.78 2.36 -0.15 5.22 0.40 0.43 -1.35 117.98 125.66 1yar s PHE 111 Ca -0.12 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 55.75 1yar s PHE 111 Cb -0.15 -1.48 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 1yar s PHE 111 CO 0.02 0.04 0.02 -1.12 0.70 0.00 0.00 175.22 174.88 1yar s SER 112 N -0.84 5.31 -0.08 1.36 0.01 -0.43 -1.26 113.70 117.77 1yar s SER 112 Ca 0.11 0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.43 1yar s SER 112 Cb -0.10 -1.82 0.01 0.00 0.21 0.00 0.00 66.02 64.32 1yar s SER 112 CO 0.00 0.21 -0.15 -0.63 0.41 0.00 0.00 173.24 173.09 1yar s ILE 113 N 0.11 1.34 0.55 1.44 1.09 0.23 -1.32 121.20 124.64 1yar s ILE 113 Ca 0.03 -0.59 0.06 0.00 -1.10 0.00 0.00 60.65 59.05 1yar s ILE 113 Cb -0.13 -1.21 0.06 0.00 -1.06 0.00 0.00 42.46 40.13 1yar s ILE 113 CO 0.02 0.40 0.76 1.51 -0.10 0.00 0.00 174.94 177.53 1yar s ASP 114 N 0.67 5.16 0.02 3.58 1.47 -0.15 -0.99 116.67 126.43 1yar s ASP 114 Ca -0.14 -0.53 0.14 0.00 1.18 0.00 0.00 52.55 53.21 1yar s ASP 114 Cb -0.16 -0.19 0.61 0.00 -0.34 0.00 0.00 42.92 42.84 1yar s ASP 114 CO 0.04 -1.23 1.46 0.00 0.68 0.00 0.00 175.17 176.11 1yar n ALA 115 N -2.24 1.63 -0.36 2.11 0.00 -1.17 -0.75 120.51 119.72 1yar n ALA 115 Ca 0.12 -0.04 0.10 0.00 0.00 0.00 0.00 53.44 53.62 1yar n ALA 115 Cb 0.60 -1.23 0.28 0.00 0.00 0.00 0.00 19.45 19.10 1yar n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yar n ALA 116 N -1.52 2.41 -1.00 0.00 0.00 -1.26 -4.57 120.51 114.56 1yar n ALA 116 Ca 0.03 -1.31 -0.00 0.00 0.00 0.00 0.00 53.44 52.16 1yar n ALA 116 Cb 0.16 -0.80 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.25 0.47 3.70 0.00 0.00 0.07 -3.74 105.19 106.94 1yar n GLY 117 Ca 0.21 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.22 2.16 -0.09 -0.02 0.00 -1.26 -4.49 107.32 101.40 1yar s GLY 118 Ca 0.00 0.86 0.01 0.00 0.00 0.00 0.00 44.72 45.59 1yar s GLY 118 CO 0.00 2.22 -0.10 -0.45 0.00 0.00 0.00 173.10 174.77 1yar s SER 119 N 1.32 2.00 -0.04 1.64 0.15 -1.26 -0.98 113.70 116.53 1yar s SER 119 Ca 0.60 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.96 1yar s SER 119 Cb -0.30 -0.85 0.02 0.00 -1.71 0.00 0.00 66.02 63.17 1yar s SER 119 CO 0.27 -0.04 -0.07 -0.69 1.20 0.00 0.00 173.24 173.92 1yar s VAL 120 N 1.15 0.68 0.28 4.45 1.01 -0.44 -4.97 120.40 122.56 1yar s VAL 120 Ca -0.05 -0.23 -0.28 0.00 0.00 0.00 0.00 61.98 61.41 1yar s VAL 120 Cb -0.14 -0.66 -0.09 0.00 0.00 0.00 0.00 36.38 35.48 1yar s VAL 120 CO -0.02 0.25 0.95 -0.70 0.00 0.00 0.00 175.10 175.58 1yar s GLU 121 N 0.68 4.73 0.13 2.72 2.12 -1.26 -1.31 118.70 126.51 1yar s GLU 121 Ca -0.10 1.45 -0.04 0.00 0.36 0.00 0.00 54.97 56.63 1yar s GLU 121 Cb -0.13 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.15 1yar s GLU 121 CO 0.01 0.40 0.13 0.34 -0.54 0.00 0.00 175.26 175.60 1yar s ASP 122 N -1.34 0.22 0.28 -1.70 -1.08 -0.46 -4.98 116.67 107.62 1yar s ASP 122 Ca 0.45 -1.02 0.09 0.00 -0.52 0.00 0.00 52.55 51.55 1yar s ASP 122 Cb -0.23 0.33 0.39 0.00 -1.46 0.00 0.00 42.92 41.95 1yar s ASP 122 CO 0.29 -0.77 1.64 0.16 0.52 0.00 0.00 175.17 177.01 1yar h ILE 123 N 2.78 1.39 -3.44 4.11 3.07 -1.95 -3.34 117.51 120.14 1yar h ILE 123 Ca -0.34 -1.91 -0.06 0.00 1.55 0.00 0.00 64.86 64.11 1yar h ILE 123 Cb 1.20 2.00 -0.13 0.00 -0.27 0.00 0.00 36.82 39.62 1yar h ILE 123 CO 0.56 0.55 -0.12 -0.72 -1.05 0.00 0.00 178.15 177.37 1yar s TYR 124 N -3.78 -0.15 0.14 0.16 -0.85 -1.26 -0.89 117.35 110.71 1yar s TYR 124 Ca -0.03 -0.17 -0.19 0.00 -0.52 0.00 0.00 57.07 56.17 1yar s TYR 124 Cb 0.13 0.20 0.05 0.00 0.38 0.00 0.00 41.96 42.72 1yar s TYR 124 CO 0.77 -0.67 0.48 0.00 -1.52 0.00 0.00 175.55 174.61 1yar s ALA 125 N -3.72 -1.16 0.00 9.51 0.00 -0.11 -5.01 121.76 121.26 1yar s ALA 125 Ca 0.03 0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.08 1yar s ALA 125 Cb 0.02 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.91 1yar s ALA 125 CO -0.11 -0.69 0.06 0.45 0.00 0.00 0.00 175.76 175.46 1yar s SER 126 N -2.79 0.08 0.25 0.00 0.15 -1.26 -1.26 113.70 108.87 1yar s SER 126 Ca 0.03 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.49 1yar s SER 126 Cb 0.01 0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 64.42 1yar s SER 126 CO -0.12 -0.25 0.01 0.42 1.20 0.00 0.00 173.24 174.51 1yar s THR 127 N -1.02 1.03 0.00 6.45 -4.23 -0.49 -4.91 115.64 112.48 1yar s THR 127 Ca -0.11 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 1yar s THR 127 Cb -0.07 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1yar s THR 127 CO 0.00 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1yar n GLY 128 N -0.47 0.10 0.30 3.99 0.00 -1.26 -1.67 105.19 106.18 1yar n GLY 128 Ca -0.04 -1.88 0.12 0.00 0.00 0.00 0.00 46.02 44.22 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 0.63 1.61 4.64 -1.75 -1.54 113.55 117.13 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 -0.08 0.61 -0.87 0.00 0.00 176.83 176.49 1yar n GLY 130 N -1.57 -1.25 0.33 -0.77 0.00 -0.24 -4.45 105.19 97.24 1yar n GLY 130 Ca 0.01 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 0.72 -0.76 1.61 4.64 -1.42 -2.37 113.55 116.13 1yar h SER 131 Ca 0.00 0.07 0.04 0.00 -0.47 0.00 0.00 61.79 61.43 1yar h SER 131 Cb 0.39 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.36 1yar h SER 131 CO 0.00 0.36 0.50 -0.65 -0.87 0.00 0.00 176.83 176.17 1yar h PRO 132 N 0.80 0.88 -0.28 4.77 0.11 -1.82 0.41 132.00 136.88 1yar h PRO 132 Ca 0.47 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.46 1yar h PRO 132 Cb 0.55 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1yar h PRO 132 CO -0.30 0.58 -0.09 0.74 -0.21 0.00 0.00 178.00 178.72 1yar h PHE 133 N 0.90 0.62 -0.49 0.65 0.04 -1.76 -2.10 116.94 114.81 1yar h PHE 133 Ca 0.31 -0.14 0.09 0.00 2.80 0.00 0.00 57.97 61.02 1yar h PHE 133 Cb 0.09 -0.15 -0.07 0.00 2.20 0.00 0.00 35.95 38.03 1yar h PHE 133 CO -0.00 0.76 0.08 0.28 -0.60 0.00 0.00 178.31 178.83 1yar h VAL 134 N 0.29 0.70 -0.33 -0.55 2.07 -1.22 -2.74 116.25 114.47 1yar h VAL 134 Ca 0.07 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1yar h VAL 134 Cb 0.58 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1yar h VAL 134 CO 0.03 0.04 0.08 1.88 0.02 0.00 0.00 177.57 179.62 1yar h TYR 135 N 0.21 0.49 -0.18 1.57 0.05 -0.57 -0.78 116.97 117.75 1yar h TYR 135 Ca 0.25 -0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.00 1yar h TYR 135 Cb 0.34 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 1yar h TYR 135 CO -0.24 0.43 0.10 0.78 -1.05 0.00 0.00 178.16 178.18 1yar h GLY 136 N 0.71 0.26 0.94 3.88 0.00 -1.11 -0.24 103.07 107.52 1yar h GLY 136 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yar h GLY 136 CO -0.00 0.11 0.04 -2.08 0.00 0.00 0.00 176.54 174.61 1yar h VAL 137 N 0.20 1.07 -0.52 4.60 2.07 -1.15 -2.14 116.25 120.38 1yar h VAL 137 Ca 0.06 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1yar h VAL 137 Cb 0.05 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1yar h VAL 137 CO -0.01 0.06 0.21 -0.07 0.02 0.00 0.00 177.57 177.78 1yar h LEU 138 N 0.05 0.71 -0.95 2.57 3.38 -1.14 0.19 115.31 120.11 1yar h LEU 138 Ca 0.03 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1yar h LEU 138 Cb 0.06 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1yar h LEU 138 CO -0.00 0.68 0.61 -0.33 0.09 0.00 0.00 178.44 179.48 1yar h GLU 139 N 0.70 1.09 0.07 1.13 4.39 -0.96 0.91 114.58 121.91 1yar h GLU 139 Ca 0.17 -0.07 -0.25 0.00 0.34 0.00 0.00 59.36 59.56 1yar h GLU 139 Cb 0.19 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1yar h GLU 139 CO -0.02 0.72 -1.11 1.03 -1.16 0.00 0.00 179.01 178.48 1yar h SER 140 N 1.12 0.35 0.00 1.42 0.87 -0.94 -3.41 113.55 112.96 1yar h SER 140 Ca 0.40 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1yar h SER 140 Cb 0.13 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1yar h SER 140 CO -0.16 1.23 -0.74 0.00 -0.53 0.00 0.00 176.83 176.63 1yar n GLN 141 N -3.55 2.00 -2.04 2.24 6.02 0.62 -5.03 117.38 117.65 1yar n GLN 141 Ca -0.06 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.51 1yar n GLN 141 Cb 0.95 -0.88 -0.03 0.00 1.02 0.00 0.00 30.24 31.31 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 -1.76 3.08 -0.05 1.08 5.04 0.29 -5.02 117.35 120.02 1yar s TYR 142 Ca -0.00 0.96 0.03 0.00 -2.44 0.00 0.00 57.07 55.62 1yar s TYR 142 Cb 0.01 -3.80 0.01 0.00 0.35 0.00 0.00 41.96 38.52 1yar s TYR 142 CO 0.03 -2.69 -0.12 0.45 -1.34 0.00 0.00 175.55 171.88 1yar s SER 143 N 0.59 1.65 0.65 4.32 0.15 -1.26 -4.98 113.70 114.82 1yar s SER 143 Ca 0.62 -0.27 0.42 0.00 0.70 0.00 0.00 55.95 57.42 1yar s SER 143 Cb -0.41 -0.58 2.29 0.00 -1.71 0.00 0.00 66.02 65.61 1yar s SER 143 CO 0.39 0.07 2.34 -0.33 1.20 0.00 0.00 173.24 176.91 1yar h GLU 144 N 6.59 0.00 -0.05 5.44 5.08 -1.95 -1.99 114.58 127.70 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 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1yar h GLU 144 CO 0.48 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.12 1yar n LYS 145 N -3.23 1.41 -1.99 2.33 5.02 -1.26 -4.20 118.16 116.24 1yar n LYS 145 Ca -0.03 -0.61 -0.39 0.00 -2.02 0.00 0.00 58.31 55.27 1yar n LYS 145 Cb 0.08 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.95 3.75 0.81 1.97 -1.94 -0.75 -5.03 119.30 116.17 1yar s MET 146 Ca 0.37 2.16 -0.12 0.00 -1.71 0.00 0.00 55.69 56.39 1yar s MET 146 Cb 0.19 -2.60 0.08 0.00 2.01 0.00 0.00 34.83 34.51 1yar s MET 146 CO 0.30 -0.68 1.10 0.95 -0.01 0.00 0.00 175.02 176.69 1yar s THR 147 N -1.30 2.88 0.21 2.05 -4.23 -1.26 -4.66 115.64 109.33 1yar s THR 147 Ca 0.61 0.29 -0.10 0.00 -1.18 0.00 0.00 61.69 61.30 1yar s THR 147 Cb -0.38 -3.04 0.14 0.00 1.34 0.00 0.00 72.50 70.56 1yar s THR 147 CO 0.48 -0.37 1.86 0.58 -0.54 0.00 0.00 174.62 176.62 1yar h VAL 148 N -1.15 1.12 -0.76 2.29 2.07 -1.98 0.14 116.25 117.99 1yar h VAL 148 Ca -0.48 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1yar h VAL 148 Cb 1.28 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 1yar h VAL 148 CO 0.60 0.16 0.45 0.44 0.02 0.00 0.00 177.57 179.24 1yar h ASP 149 N 0.89 0.92 -0.62 0.57 3.32 -2.00 0.17 116.42 119.67 1yar h ASP 149 Ca 0.27 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 1yar h ASP 149 Cb -0.02 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 1yar h ASP 149 CO -0.09 0.72 0.17 -0.33 -1.72 0.00 0.00 179.24 177.99 1yar h GLU 150 N 1.04 0.99 -0.46 3.56 5.08 -1.75 -2.41 114.58 120.64 1yar h GLU 150 Ca 0.27 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1yar h GLU 150 Cb -0.02 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1yar h GLU 150 CO -0.05 0.89 -0.14 0.78 -1.00 0.00 0.00 179.01 179.50 1yar h GLY 151 N 0.91 0.92 0.97 -3.84 0.00 -0.32 -0.74 103.07 100.98 1yar h GLY 151 Ca 0.20 -0.73 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 1yar h GLY 151 CO -0.00 0.67 0.15 -2.08 0.00 0.00 0.00 176.54 175.28 1yar h VAL 152 N 0.76 1.10 -0.86 4.60 2.07 -0.90 -1.72 116.25 121.31 1yar h VAL 152 Ca 0.12 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1yar h VAL 152 Cb 0.65 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1yar h VAL 152 CO 0.05 0.09 0.56 0.44 0.02 0.00 0.00 177.57 178.73 1yar h ASP 153 N 0.30 1.00 0.02 0.57 3.32 -1.14 -2.06 116.42 118.43 1yar h ASP 153 Ca 0.09 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 1yar h ASP 153 Cb 0.03 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1yar h ASP 153 CO -0.02 0.73 -0.01 0.25 -1.72 0.00 0.00 179.24 178.48 1yar h LEU 154 N 1.17 -0.02 -1.15 1.55 5.85 -0.81 0.82 115.31 122.72 1yar h LEU 154 Ca 0.31 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.92 1yar h LEU 154 Cb -0.11 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1yar h LEU 154 CO -0.07 0.04 -0.03 -0.37 -0.34 0.00 0.00 178.44 177.68 1yar h VAL 155 N -0.08 1.21 -0.41 1.05 -1.51 -1.17 0.18 116.25 115.51 1yar h VAL 155 Ca -0.00 -0.87 -0.07 0.00 -1.23 0.00 0.00 66.70 64.53 1yar h VAL 155 Cb 0.07 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.20 1yar h VAL 155 CO 0.00 0.29 -0.02 0.40 -1.23 0.00 0.00 177.57 177.02 1yar h ILE 156 N 0.53 1.26 -0.66 7.19 2.04 -1.18 -1.15 117.51 125.54 1yar h ILE 156 Ca 0.11 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1yar h ILE 156 Cb 0.38 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1yar h ILE 156 CO 0.02 0.36 0.40 0.03 0.00 0.00 0.00 178.15 178.96 1yar h ARG 157 N 0.57 0.89 -0.06 2.37 3.08 -0.11 -0.77 114.38 120.34 1yar h ARG 157 Ca 0.11 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1yar h ARG 157 Cb 0.50 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1yar h ARG 157 CO 0.02 0.63 0.00 0.00 -1.07 0.00 0.00 179.97 179.55 1yar h ALA 158 N 1.21 0.09 -0.51 0.04 0.00 -0.46 -1.20 119.26 118.43 1yar h ALA 158 Ca 0.24 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1yar h ALA 158 Cb -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1yar h ALA 158 CO -0.05 -0.24 0.03 0.82 0.00 0.00 0.00 179.25 179.82 1yar h ILE 159 N -0.17 1.24 -0.68 0.00 2.04 -1.22 -1.81 117.51 116.91 1yar h ILE 159 Ca 0.02 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 1yar h ILE 159 Cb 0.33 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1yar h ILE 159 CO 0.00 0.35 0.31 0.28 0.00 0.00 0.00 178.15 179.09 1yar h SER 160 N 0.78 0.91 -0.32 1.72 0.02 -1.00 0.70 113.55 116.36 1yar h SER 160 Ca 0.16 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1yar h SER 160 Cb 0.42 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1yar h SER 160 CO 0.01 0.80 0.19 0.00 -1.14 0.00 0.00 176.83 176.69 1yar h ALA 161 N 1.14 0.40 -0.68 3.77 0.00 -1.02 -2.34 119.26 120.53 1yar h ALA 161 Ca 0.23 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1yar h ALA 161 Cb 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1yar h ALA 161 CO -0.03 -0.18 0.45 0.00 0.00 0.00 0.00 179.25 179.50 1yar h ALA 162 N 1.14 0.86 -0.06 0.00 0.00 -0.95 -2.05 119.26 118.20 1yar h ALA 162 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1yar h ALA 162 Cb 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1yar h ALA 162 CO -0.06 0.29 -0.02 0.87 0.00 0.00 0.00 179.25 180.33 1yar h LYS 163 N 0.92 0.09 0.00 0.00 1.57 -0.66 0.20 116.57 118.69 1yar h LYS 163 Ca 0.25 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1yar h LYS 163 Cb -0.11 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1yar h LYS 163 CO -0.05 0.11 -0.06 1.96 -0.57 0.00 0.00 179.45 180.84 1yar h GLN 164 N 0.09 0.00 0.00 3.15 1.08 -0.82 -3.36 115.11 115.24 1yar h GLN 164 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1yar h GLN 164 Cb 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1yar h GLN 164 CO 0.00 0.06 -0.09 0.54 -0.95 0.00 0.00 178.83 178.40 1yar n ARG 165 N -3.17 5.21 -4.00 1.46 5.12 -0.81 -4.95 116.66 115.52 1yar n ARG 165 Ca 0.01 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.60 1yar n ARG 165 Cb 0.37 -0.46 -0.14 0.00 -1.16 0.00 0.00 32.46 31.07 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 -0.90 4.64 0.30 0.55 2.15 0.64 -4.97 116.67 119.08 1yar s ASP 166 Ca 0.00 -1.40 0.24 0.00 0.43 0.00 0.00 52.55 51.82 1yar s ASP 166 Cb 0.00 -1.62 1.09 0.00 -0.30 0.00 0.00 42.92 42.09 1yar s ASP 166 CO 0.00 -0.23 1.72 0.77 -0.17 0.00 0.00 175.17 177.26 1yar h SER 167 N 7.85 0.00 0.04 -0.34 4.64 -1.86 -1.79 113.55 122.09 1yar h SER 167 Ca -0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 1yar h SER 167 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1yar h SER 167 CO 0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 176.43 1yar n ALA 168 N -1.79 2.65 -2.53 5.18 0.00 -1.26 -4.83 120.51 117.93 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 0.16 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.07 4.12 0.00 0.00 0.01 -0.67 -1.31 113.70 113.78 1yar s SER 169 Ca 0.39 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.19 1yar s SER 169 Cb 0.21 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.74 1yar s SER 169 CO 0.37 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.82 1yar n GLY 170 N 0.89 0.40 2.34 3.44 0.00 -1.26 -4.80 105.19 106.19 1yar n GLY 170 Ca -0.15 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.49 -2.47 3.76 -0.02 0.00 -1.26 -1.20 105.19 103.51 1yar n GLY 171 Ca 0.00 -1.67 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.52 3.37 0.02 1.61 -2.45 -1.26 -4.63 119.30 115.44 1yar s MET 172 Ca 0.00 1.97 -0.22 0.00 -1.25 0.00 0.00 55.69 56.19 1yar s MET 172 Cb 0.00 -2.26 -0.06 0.00 1.25 0.00 0.00 34.83 33.76 1yar s MET 172 CO 0.00 -0.92 0.65 0.42 1.05 0.00 0.00 175.02 176.21 1yar s ILE 173 N -1.46 4.83 -0.17 10.11 1.01 -1.26 -3.90 121.20 130.35 1yar s ILE 173 Ca 0.69 1.37 -0.02 0.00 0.00 0.00 0.00 60.65 62.69 1yar s ILE 173 Cb -0.34 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 1yar s ILE 173 CO 0.40 0.41 -0.10 -0.62 0.00 0.00 0.00 174.94 175.03 1yar s ASP 174 N -0.24 4.08 -0.04 3.58 2.15 -0.04 -4.99 116.67 121.17 1yar s ASP 174 Ca 0.33 -0.38 0.03 0.00 0.43 0.00 0.00 52.55 52.97 1yar s ASP 174 Cb -0.19 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 1yar s ASP 174 CO 0.19 0.07 -0.13 -0.69 -0.17 0.00 0.00 175.17 174.44 1yar s VAL 175 N 0.91 1.14 0.06 1.11 1.01 -1.26 -1.25 120.40 122.12 1yar s VAL 175 Ca -0.02 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.50 1yar s VAL 175 Cb -0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1yar s VAL 175 CO -0.00 0.34 -0.23 0.00 0.00 0.00 0.00 175.10 175.21 1yar s ALA 176 N 0.21 1.96 -0.07 5.51 0.00 0.11 -0.65 121.76 128.84 1yar s ALA 176 Ca -0.06 -1.18 0.04 0.00 0.00 0.00 0.00 51.96 50.77 1yar s ALA 176 Cb -0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 1yar s ALA 176 CO 0.02 0.44 -0.20 0.08 0.00 0.00 0.00 175.76 176.10 1yar s VAL 177 N -0.86 2.51 -0.13 0.00 1.01 0.52 -1.40 120.40 122.06 1yar s VAL 177 Ca 0.09 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1yar s VAL 177 Cb -0.09 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.33 1yar s VAL 177 CO 0.02 0.57 -0.21 -0.63 0.00 0.00 0.00 175.10 174.85 1yar s ILE 178 N -0.22 1.94 0.08 2.22 1.01 0.64 -0.36 121.20 126.51 1yar s ILE 178 Ca -0.01 -0.91 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 1yar s ILE 178 Cb -0.13 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 1yar s ILE 178 CO 0.03 0.53 0.06 0.42 0.00 0.00 0.00 174.94 175.98 1yar s THR 179 N 0.81 0.17 0.12 2.92 -4.23 -0.67 -1.62 115.64 113.14 1yar s THR 179 Ca -0.08 -1.63 -0.18 0.00 -1.18 0.00 0.00 61.69 58.63 1yar s THR 179 Cb -0.16 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 1yar s THR 179 CO -0.01 -0.79 1.66 -0.09 -0.54 0.00 0.00 174.62 174.85 1yar h ARG 180 N 2.96 0.46 -0.35 3.99 9.65 -1.87 0.11 114.38 129.34 1yar h ARG 180 Ca -0.34 -0.08 0.02 0.00 -1.10 0.00 0.00 59.98 58.47 1yar h ARG 180 Cb 1.17 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.65 1yar h ARG 180 CO 0.61 0.47 0.19 -0.22 2.80 0.00 0.00 179.97 183.83 1yar h LYS 181 N 0.35 0.38 -0.00 0.20 3.64 -1.97 -3.31 116.57 115.87 1yar h LYS 181 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1yar h LYS 181 Cb 0.18 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1yar h LYS 181 CO -0.01 0.25 -0.39 -0.25 -2.27 0.00 0.00 179.45 176.78 1yar n ASP 182 N -4.91 0.58 0.00 4.20 8.00 -1.23 -5.10 116.55 118.09 1yar n ASP 182 Ca 0.00 -0.79 0.00 0.00 0.71 0.00 0.00 54.79 54.71 1yar n ASP 182 Cb 0.07 0.90 0.00 0.00 -0.02 0.00 0.00 41.12 42.06 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 1.15 -0.53 3.64 0.44 0.00 0.39 -4.67 105.19 105.61 1yar n GLY 183 Ca 0.02 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 3.26 -0.20 1.61 6.14 -1.20 -1.67 117.35 125.28 1yar s TYR 184 Ca 0.00 1.14 0.01 0.00 0.64 0.00 0.00 57.07 58.86 1yar s TYR 184 Cb 0.00 -3.27 0.05 0.00 0.42 0.00 0.00 41.96 39.15 1yar s TYR 184 CO 0.00 -0.54 -0.09 0.08 0.64 0.00 0.00 175.55 175.65 1yar s VAL 185 N 3.12 1.57 -0.26 3.14 1.01 0.51 -4.99 120.40 124.50 1yar s VAL 185 Ca 0.38 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 1yar s VAL 185 Cb -0.14 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.55 1yar s VAL 185 CO 0.10 0.11 1.04 -1.58 0.00 0.00 0.00 175.10 174.77 1yar s GLN 186 N 1.42 4.19 0.33 2.72 0.74 -1.26 -0.35 119.66 127.44 1yar s GLN 186 Ca -0.02 1.24 -0.29 0.00 0.05 0.00 0.00 55.36 56.34 1yar s GLN 186 Cb -0.17 -3.67 -0.11 0.00 1.10 0.00 0.00 33.01 30.17 1yar s GLN 186 CO -0.08 -0.71 1.41 -0.51 -0.55 0.00 0.00 175.29 174.85 1yar s LEU 187 N 3.32 4.38 0.46 3.68 1.43 0.18 -4.96 118.68 127.16 1yar s LEU 187 Ca 0.44 2.83 -0.24 0.00 -1.03 0.00 0.00 54.13 56.13 1yar s LEU 187 Cb -0.14 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.35 1yar s LEU 187 CO 0.09 -0.71 1.30 -2.84 0.23 0.00 0.00 176.35 174.42 1yar s PRO 188 N -1.57 3.70 0.28 1.29 0.02 -1.26 -4.72 135.00 132.73 1yar s PRO 188 Ca 0.53 2.12 0.01 0.00 0.02 0.00 0.00 61.00 63.68 1yar s PRO 188 Cb -0.43 -2.55 0.58 0.00 0.02 0.00 0.00 34.50 32.12 1yar s PRO 188 CO 0.55 -0.71 1.79 1.15 -0.33 0.00 0.00 177.00 179.45 1yar h THR 189 N 2.08 0.78 -0.92 0.99 2.02 -1.94 -1.85 112.91 114.07 1yar h THR 189 Ca -0.50 -0.26 0.05 0.00 0.77 0.00 0.00 66.41 66.47 1yar h THR 189 Cb 1.26 -0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 1yar h THR 189 CO 0.61 0.14 0.60 -2.24 0.37 0.00 0.00 175.52 174.99 1yar h ASP 190 N 0.76 0.97 -0.54 4.18 2.03 -1.99 0.26 116.42 122.09 1yar h ASP 190 Ca 0.50 -0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.68 1yar h ASP 190 Cb 0.66 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.93 1yar h ASP 190 CO -0.34 0.65 -0.10 -0.61 -1.03 0.00 0.00 179.24 177.82 1yar h GLN 191 N 1.12 1.02 -0.25 4.15 4.15 -1.71 -0.67 115.11 122.91 1yar h GLN 191 Ca 0.38 -0.37 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 1yar h GLN 191 Cb 0.08 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 1yar h GLN 191 CO -0.12 1.06 -0.02 0.82 -1.93 0.00 0.00 178.83 178.64 1yar h ILE 192 N 0.89 1.26 -0.66 2.39 1.08 -1.12 -1.89 117.51 119.47 1yar h ILE 192 Ca 0.14 -0.95 0.06 0.00 -0.39 0.00 0.00 64.86 63.72 1yar h ILE 192 Cb 0.67 1.39 -0.06 0.00 -3.07 0.00 0.00 36.82 35.75 1yar h ILE 192 CO 0.05 0.30 0.35 -0.33 -0.69 0.00 0.00 178.15 177.83 1yar h GLU 193 N 0.22 0.62 -0.90 2.37 5.08 -0.88 0.90 114.58 121.99 1yar h GLU 193 Ca 0.07 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1yar h GLU 193 Cb 0.45 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1yar h GLU 193 CO 0.02 0.41 0.54 1.03 -1.00 0.00 0.00 179.01 180.01 1yar h SER 194 N 0.64 1.08 -0.35 1.42 0.87 -1.01 0.53 113.55 116.73 1yar h SER 194 Ca 0.30 -0.07 -0.16 0.00 -1.23 0.00 0.00 61.79 60.63 1yar h SER 194 Cb 0.22 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 1yar h SER 194 CO -0.20 0.83 -0.41 0.03 -0.53 0.00 0.00 176.83 176.55 1yar h ARG 195 N 1.24 0.91 -0.31 2.24 3.08 -0.67 -1.18 114.38 119.70 1yar h ARG 195 Ca 0.32 -0.49 0.02 0.00 0.07 0.00 0.00 59.98 59.90 1yar h ARG 195 Cb -0.05 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1yar h ARG 195 CO -0.06 1.14 0.16 0.82 -1.07 0.00 0.00 179.97 180.97 1yar h ILE 196 N 0.74 1.00 0.36 2.04 2.04 -0.40 -0.19 117.51 123.10 1yar h ILE 196 Ca 0.05 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1yar h ILE 196 Cb 1.01 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1yar h ILE 196 CO 0.10 0.06 -0.48 -0.09 0.00 0.00 0.00 178.15 177.74 1yar h ARG 197 N 0.34 -0.85 -0.14 2.37 2.43 -0.84 -1.55 114.38 116.14 1yar h ARG 197 Ca 0.13 0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1yar h ARG 197 Cb 0.03 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1yar h ARG 197 CO -0.08 -0.57 -0.00 1.57 -1.51 0.00 0.00 179.97 179.39 1yar h LYS 198 N -0.88 0.19 0.00 0.20 2.10 -1.08 -1.98 116.57 115.12 1yar h LYS 198 Ca -0.03 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 1yar h LYS 198 Cb 0.81 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 1yar h LYS 198 CO -0.13 0.22 0.00 -0.07 -2.00 0.00 0.00 179.45 177.46 1yar h LEU 199 N 0.19 0.00 -0.63 7.07 3.38 -0.87 -3.48 115.31 120.98 1yar h LEU 199 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1yar h LEU 199 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1yar h LEU 199 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1yar n GLY 200 N 1.21 0.97 1.18 0.83 0.00 -0.75 -5.08 105.19 103.55 1yar n GLY 200 Ca 0.05 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.31 0.00 -4.34 0.99 4.77 -0.64 -5.05 117.00 112.42 1yar n LEU 201 Ca 0.00 -0.94 -0.27 0.00 -0.03 0.00 0.00 56.01 54.77 1yar n LEU 201 Cb 0.33 0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.32 1yar n LEU 201 CO 0.00 -0.28 -0.54 -0.63 -1.33 0.00 0.00 177.39 174.61 1yar s ILE 202 N -1.13 1.98 0.00 -0.08 1.01 -1.26 -4.73 121.20 116.99 1yar s ILE 202 Ca 0.06 -1.63 0.00 0.00 0.00 0.00 0.00 60.65 59.08 1yar s ILE 202 Cb -0.00 -1.77 0.00 0.00 0.01 0.00 0.00 42.46 40.69 1yar s ILE 202 CO 0.04 0.03 0.00 -0.11 0.00 0.00 0.00 174.94 174.90