#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l1s s TYR 4 N 0.00 3.57 -0.06 -0.67 1.51 -0.93 -4.95 117.35 115.82 1l1s s TYR 4 Ca 0.00 1.73 0.00 0.00 -1.01 0.00 0.00 57.07 57.79 1l1s s TYR 4 Cb 0.00 -3.12 0.02 0.00 -0.11 0.00 0.00 41.96 38.75 1l1s s TYR 4 CO 0.00 -0.28 -0.03 1.03 -1.11 0.00 0.00 175.55 175.16 1l1s s ARG 5 N -1.84 0.74 -0.04 -0.62 0.52 -1.26 -0.11 118.95 116.34 1l1s s ARG 5 Ca 0.49 -0.02 -0.05 0.00 -0.52 0.00 0.00 55.73 55.64 1l1s s ARG 5 Cb -0.26 -0.90 0.01 0.00 0.52 0.00 0.00 34.95 34.33 1l1s s ARG 5 CO 0.32 -0.18 0.13 0.54 0.02 0.00 0.00 175.30 176.13 1l1s s VAL 6 N 1.35 0.01 -0.12 3.52 0.11 -0.19 -0.51 120.40 124.56 1l1s s VAL 6 Ca -0.04 -0.07 0.03 0.00 -2.93 0.00 0.00 61.98 58.97 1l1s s VAL 6 Cb -0.13 -0.21 0.00 0.00 -1.53 0.00 0.00 36.38 34.51 1l1s s VAL 6 CO -0.02 -0.04 -0.22 0.54 -3.33 0.00 0.00 175.10 172.03 1l1s s VAL 7 N -0.07 2.13 0.21 2.04 0.11 -0.63 -1.37 120.40 122.82 1l1s s VAL 7 Ca -0.01 -0.97 -0.06 0.00 -2.93 0.00 0.00 61.98 58.00 1l1s s VAL 7 Cb -0.02 -1.84 -0.06 0.00 -1.53 0.00 0.00 36.38 32.94 1l1s s VAL 7 CO 0.00 0.55 0.48 -0.36 -3.33 0.00 0.00 175.10 172.44 1l1s s PHE 8 N 0.61 3.46 -0.12 1.54 0.40 0.11 -2.15 117.98 121.84 1l1s s PHE 8 Ca -0.12 0.68 0.01 0.00 -0.60 0.00 0.00 56.93 56.90 1l1s s PHE 8 Cb -0.16 -2.11 0.02 0.00 0.51 0.00 0.00 43.02 41.27 1l1s s PHE 8 CO 0.03 0.31 -0.13 -1.58 0.70 0.00 0.00 175.22 174.56 1l1s s HIS 9 N -1.82 1.84 -0.03 0.36 5.65 -0.59 -0.69 115.29 120.01 1l1s s HIS 9 Ca 0.44 -0.91 0.00 0.00 0.25 0.00 0.00 55.06 54.84 1l1s s HIS 9 Cb -0.11 -1.38 0.03 0.00 -1.18 0.00 0.00 32.58 29.93 1l1s s HIS 9 CO 0.25 -0.52 -0.00 -1.50 -0.65 0.00 0.00 174.74 172.32 1l1s s ILE 10 N 1.28 0.21 -0.06 0.89 2.07 -0.63 -4.11 121.20 120.85 1l1s s ILE 10 Ca -0.01 0.07 0.09 0.00 -1.41 0.00 0.00 60.65 59.39 1l1s s ILE 10 Cb -0.14 -0.31 0.13 0.00 0.13 0.00 0.00 42.46 42.28 1l1s s ILE 10 CO -0.05 0.16 1.04 -0.90 -1.91 0.00 0.00 174.94 173.27 1l1s n ASP 11 N 4.20 1.22 -4.30 4.50 3.85 -1.26 -2.20 116.55 122.55 1l1s n ASP 11 Ca -0.25 -2.44 -0.16 0.00 -0.71 0.00 0.00 54.79 51.23 1l1s n ASP 11 Cb 0.50 -0.28 -0.10 0.00 -1.35 0.00 0.00 41.12 39.89 1l1s n ASP 11 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1l1s s GLU 12 N -1.39 1.25 -0.03 0.11 2.02 -1.26 -3.13 118.70 116.26 1l1s s GLU 12 Ca 0.15 -1.60 0.05 0.00 0.02 0.00 0.00 54.97 53.59 1l1s s GLU 12 Cb 0.13 -0.62 0.08 0.00 0.10 0.00 0.00 34.13 33.82 1l1s s GLU 12 CO 0.01 -0.04 0.94 -0.40 0.02 0.00 0.00 175.26 175.79 1l1s n ASP 13 N -0.35 1.38 -4.77 -0.19 5.75 -1.26 -3.80 116.55 113.31 1l1s n ASP 13 Ca -0.07 -2.08 -0.41 0.00 -0.01 0.00 0.00 54.79 52.22 1l1s n ASP 13 Cb 0.63 -0.15 -0.01 0.00 -1.03 0.00 0.00 41.12 40.56 1l1s n ASP 13 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1l1s s ASP 14 N -1.30 6.61 0.12 -1.12 1.47 -1.26 -4.83 116.67 116.36 1l1s s ASP 14 Ca 0.09 2.83 -0.27 0.00 1.18 0.00 0.00 52.55 56.37 1l1s s ASP 14 Cb 0.08 -2.66 -0.08 0.00 -0.34 0.00 0.00 42.92 39.92 1l1s s ASP 14 CO 0.01 -0.67 1.46 -0.08 0.68 0.00 0.00 175.17 176.57 1l1s h GLU 15 N 3.30 -0.24 -0.94 2.11 4.81 -1.99 -2.13 114.58 119.50 1l1s h GLU 15 Ca -0.50 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 58.94 1l1s h GLU 15 Cb 1.23 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 30.56 1l1s h GLU 15 CO 0.65 -0.16 0.52 0.66 -0.73 0.00 0.00 179.01 179.95 1l1s h SER 16 N -0.25 0.63 -0.44 1.04 4.64 -1.99 0.10 113.55 117.27 1l1s h SER 16 Ca 0.08 0.11 -0.10 0.00 -0.47 0.00 0.00 61.79 61.41 1l1s h SER 16 Cb 0.46 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1l1s h SER 16 CO -0.57 0.20 -0.09 -0.09 -0.87 0.00 0.00 176.83 175.41 1l1s h ARG 17 N 0.65 0.85 -0.22 4.77 9.65 -1.82 -1.35 114.38 126.90 1l1s h ARG 17 Ca 0.54 -0.32 -0.02 0.00 -1.10 0.00 0.00 59.98 59.09 1l1s h ARG 17 Cb 0.86 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.38 1l1s h ARG 17 CO -0.40 0.95 0.06 0.28 2.80 0.00 0.00 179.97 183.66 1l1s h VAL 18 N 0.68 1.20 -0.04 0.20 2.07 -0.58 -1.52 116.25 118.26 1l1s h VAL 18 Ca 0.11 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 1l1s h VAL 18 Cb 0.63 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1l1s h VAL 18 CO 0.04 0.20 -0.22 -0.07 0.02 0.00 0.00 177.57 177.54 1l1s h LEU 19 N 0.18 0.06 -0.33 2.57 3.38 -1.00 -1.66 115.31 118.51 1l1s h LEU 19 Ca 0.07 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1l1s h LEU 19 Cb 0.25 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1l1s h LEU 19 CO -0.00 0.29 -0.06 0.25 0.09 0.00 0.00 178.44 179.01 1l1s h LEU 20 N 0.06 0.62 0.08 1.67 5.85 -0.82 -0.28 115.31 122.49 1l1s h LEU 20 Ca 0.01 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1l1s h LEU 20 Cb 0.43 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1l1s h LEU 20 CO 0.03 0.83 -0.08 0.25 -0.34 0.00 0.00 178.44 179.13 1l1s h LEU 21 N 0.41 -0.22 -0.32 2.25 5.85 -0.83 0.22 115.31 122.68 1l1s h LEU 21 Ca 0.09 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1l1s h LEU 21 Cb 0.55 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 1l1s h LEU 21 CO 0.03 -0.13 -0.05 0.40 -0.34 0.00 0.00 178.44 178.35 1l1s h ILE 22 N -0.18 0.71 -0.59 4.05 2.04 -1.25 0.10 117.51 122.40 1l1s h ILE 22 Ca 0.01 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1l1s h ILE 22 Cb 0.18 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 1l1s h ILE 22 CO -0.03 0.01 0.38 -1.28 0.00 0.00 0.00 178.15 177.23 1l1s h SER 23 N 0.03 0.66 -0.77 1.72 0.87 -0.78 -1.96 113.55 113.33 1l1s h SER 23 Ca 0.15 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1l1s h SER 23 Cb 0.23 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 1l1s h SER 23 CO -0.30 0.48 0.35 0.78 -0.53 0.00 0.00 176.83 177.61 1l1s h ASN 24 N 0.78 1.03 -0.38 6.23 2.35 0.24 -0.08 115.58 125.74 1l1s h ASN 24 Ca 0.22 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1l1s h ASN 24 Cb -0.08 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.01 1l1s h ASN 24 CO -0.05 0.88 0.15 0.58 -1.65 0.00 0.00 177.43 177.34 1l1s h VAL 25 N 1.11 1.20 -0.36 2.81 2.07 -0.35 -0.97 116.25 121.76 1l1s h VAL 25 Ca 0.27 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1l1s h VAL 25 Cb 0.14 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1l1s h VAL 25 CO -0.03 0.22 -0.06 0.03 0.02 0.00 0.00 177.57 177.75 1l1s h ARG 26 N 0.47 0.67 -0.46 1.57 3.08 -1.16 -3.06 114.38 115.48 1l1s h ARG 26 Ca 0.13 -0.24 0.05 0.00 0.07 0.00 0.00 59.98 59.99 1l1s h ARG 26 Cb 0.20 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1l1s h ARG 26 CO -0.01 0.81 0.18 -0.97 -1.07 0.00 0.00 179.97 178.92 1l1s h ASN 27 N 0.46 0.22 0.00 7.04 -0.00 -0.92 -2.59 115.58 119.80 1l1s h ASN 27 Ca 0.09 0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.44 1l1s h ASN 27 Cb 0.55 0.01 0.00 0.00 -0.00 0.00 0.00 38.32 38.88 1l1s h ASN 27 CO 0.03 0.16 0.00 -0.11 -0.00 0.00 0.00 177.43 177.51 1l1s n LEU 28 N -4.97 0.02 0.00 0.34 7.94 -0.38 -1.28 117.00 118.67 1l1s n LEU 28 Ca 0.04 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1l1s n LEU 28 Cb 0.16 -0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.10 1l1s n LEU 28 CO 0.27 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.55 1l1s n ALA 30 N 1.00 0.00 0.11 1.96 0.00 -0.98 -1.93 120.51 120.67 1l1s n ALA 30 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1l1s n ALA 30 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1l1s n ALA 30 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1l1s n ASP 31 N 0.00 0.83 -4.40 0.00 2.03 -0.40 -4.84 116.55 109.76 1l1s n ASP 31 Ca 0.00 0.31 -0.33 0.00 0.52 0.00 0.00 54.79 55.29 1l1s n ASP 31 Cb 0.00 0.48 -0.14 0.00 -0.72 0.00 0.00 41.12 40.75 1l1s n ASP 31 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1l1s s LEU 32 N -5.31 2.91 0.13 -2.67 1.02 -0.81 -5.02 118.68 108.93 1l1s s LEU 32 Ca -0.01 -0.28 -0.25 0.00 0.02 0.00 0.00 54.13 53.61 1l1s s LEU 32 Cb 0.10 -1.69 -0.03 0.00 0.02 0.00 0.00 46.19 44.59 1l1s s LEU 32 CO 0.79 0.13 1.62 -0.33 0.02 0.00 0.00 176.35 178.59 1l1s h GLU 33 N 6.95 -0.37 -3.98 1.70 5.08 -1.89 -3.40 114.58 118.67 1l1s h GLU 33 Ca -0.30 0.02 -0.51 0.00 -1.00 0.00 0.00 59.36 57.57 1l1s h GLU 33 Cb 1.20 0.08 -0.38 0.00 0.50 0.00 0.00 28.75 30.15 1l1s h GLU 33 CO 0.59 -0.24 -0.79 0.45 -1.00 0.00 0.00 179.01 178.02 1l1s s SER 34 N -4.92 2.33 -0.12 1.42 0.15 -1.26 -5.08 113.70 106.21 1l1s s SER 34 Ca -0.15 -0.43 -0.10 0.00 0.70 0.00 0.00 55.95 55.98 1l1s s SER 34 Cb 0.10 -0.73 0.04 0.00 -1.71 0.00 0.00 66.02 63.72 1l1s s SER 34 CO 0.66 -0.18 0.32 0.54 1.20 0.00 0.00 173.24 175.77 1l1s s VAL 35 N 1.77 -0.01 -0.22 4.45 0.11 -1.26 -2.19 120.40 123.05 1l1s s VAL 35 Ca 0.03 0.04 -0.09 0.00 -2.93 0.00 0.00 61.98 59.03 1l1s s VAL 35 Cb -0.14 -0.46 -0.05 0.00 -1.53 0.00 0.00 36.38 34.21 1l1s s VAL 35 CO -0.07 0.02 0.12 -0.60 -3.33 0.00 0.00 175.10 171.24 1l1s s ARG 36 N 0.58 4.03 -0.04 1.54 3.52 0.84 -4.99 118.95 124.44 1l1s s ARG 36 Ca -0.03 -0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.32 1l1s s ARG 36 Cb -0.05 -3.41 -0.01 0.00 -1.56 0.00 0.00 34.95 29.92 1l1s s ARG 36 CO -0.03 0.15 -0.20 0.42 -0.81 0.00 0.00 175.30 174.82 1l1s s ILE 37 N 0.78 1.66 -0.00 4.11 1.01 -1.26 -1.03 121.20 126.46 1l1s s ILE 37 Ca 0.06 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.90 1l1s s ILE 37 Cb -0.13 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 1l1s s ILE 37 CO 0.02 0.47 -0.15 -1.61 0.00 0.00 0.00 174.94 173.67 1l1s s GLU 38 N -0.16 1.16 -0.23 2.79 2.02 -0.47 -2.18 118.70 121.62 1l1s s GLU 38 Ca -0.01 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 54.44 1l1s s GLU 38 Cb -0.11 -1.13 0.04 0.00 0.10 0.00 0.00 34.13 33.03 1l1s s GLU 38 CO 0.02 0.31 -0.13 0.08 0.02 0.00 0.00 175.26 175.55 1l1s s VAL 39 N -0.41 2.26 -0.29 2.63 1.01 0.47 0.09 120.40 126.15 1l1s s VAL 39 Ca 0.05 -1.31 -0.10 0.00 0.00 0.00 0.00 61.98 60.62 1l1s s VAL 39 Cb -0.06 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1l1s s VAL 39 CO -0.00 0.19 0.17 -0.69 0.00 0.00 0.00 175.10 174.77 1l1s s VAL 40 N 1.20 4.95 -0.11 2.92 1.01 0.14 -0.10 120.40 130.41 1l1s s VAL 40 Ca -0.03 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 61.87 1l1s s VAL 40 Cb -0.17 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1l1s s VAL 40 CO -0.07 0.17 -0.23 0.00 0.00 0.00 0.00 175.10 174.96 1l1s s ALA 41 N 1.69 2.20 0.29 5.51 0.00 -0.79 -1.60 121.76 129.06 1l1s s ALA 41 Ca 0.06 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1l1s s ALA 41 Cb -0.16 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 1l1s s ALA 41 CO 0.08 0.25 0.22 1.52 0.00 0.00 0.00 175.76 177.83 1l1s s TYR 42 N 0.40 1.58 0.00 0.00 -0.85 -0.94 -3.49 117.35 114.05 1l1s s TYR 42 Ca -0.17 -1.54 0.00 0.00 -0.52 0.00 0.00 57.07 54.84 1l1s s TYR 42 Cb -0.18 -0.71 0.00 0.00 0.38 0.00 0.00 41.96 41.46 1l1s s TYR 42 CO 0.08 -0.75 0.00 0.45 -1.52 0.00 0.00 175.55 173.81 1l1s n SER 43 N -1.12 0.00 0.00 -0.18 2.88 -1.26 -3.56 113.62 110.37 1l1s n SER 43 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1l1s n SER 43 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1l1s n SER 43 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1l1s n GLY 45 N 0.00 0.00 0.26 0.46 0.00 -1.18 -4.38 105.19 100.35 1l1s n GLY 45 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1l1s n GLY 45 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1l1s h VAL 46 N 0.00 0.45 -0.20 1.61 -1.51 -1.77 -2.24 116.25 112.59 1l1s h VAL 46 Ca 0.00 -0.60 0.06 0.00 -1.23 0.00 0.00 66.70 64.93 1l1s h VAL 46 Cb 0.00 1.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.57 1l1s h VAL 46 CO 0.00 0.11 0.27 0.78 -1.23 0.00 0.00 177.57 177.51 1l1s h ASN 47 N 0.00 0.00 0.74 4.19 2.35 -1.93 0.37 115.58 121.31 1l1s h ASN 47 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1l1s h ASN 47 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1l1s h ASN 47 CO 0.01 0.00 -0.22 0.58 -1.65 0.00 0.00 177.43 176.16 1l1s h VAL 48 N 0.00 0.61 -0.22 2.81 2.07 -1.77 -2.88 116.25 116.87 1l1s h VAL 48 Ca 0.10 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1l1s h VAL 48 Cb 0.64 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1l1s h VAL 48 CO -0.00 0.21 0.00 0.18 0.02 0.00 0.00 177.57 177.98 1l1s n LEU 49 N -3.49 2.40 -4.77 2.57 4.77 0.13 -4.65 117.00 113.97 1l1s n LEU 49 Ca -0.01 -0.98 -0.34 0.00 -0.03 0.00 0.00 56.01 54.65 1l1s n LEU 49 Cb 0.38 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1l1s n LEU 49 CO 0.33 0.49 0.77 -0.13 -1.33 0.00 0.00 177.39 177.52 1l1s s ARG 50 N -1.73 2.97 0.25 3.23 0.52 -1.09 -1.44 118.95 121.67 1l1s s ARG 50 Ca 0.34 1.53 -0.03 0.00 -0.52 0.00 0.00 55.73 57.05 1l1s s ARG 50 Cb 0.20 -1.96 0.30 0.00 0.52 0.00 0.00 34.95 34.01 1l1s s ARG 50 CO 0.29 -1.14 1.78 -0.09 0.02 0.00 0.00 175.30 176.16 1l1s h ARG 51 N 0.49 0.91 -0.60 3.54 2.43 -1.49 -2.54 114.38 117.12 1l1s h ARG 51 Ca -0.48 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.48 1l1s h ARG 51 Cb 1.26 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 1l1s h ARG 51 CO 0.55 0.83 0.00 -0.40 -1.51 0.00 0.00 179.97 179.44 1l1s n ASP 52 N -4.25 1.85 -4.77 -3.80 3.85 -1.26 -4.85 116.55 103.32 1l1s n ASP 52 Ca 0.04 -2.16 -0.38 0.00 -0.71 0.00 0.00 54.79 51.58 1l1s n ASP 52 Cb 0.26 -0.38 -0.05 0.00 -1.35 0.00 0.00 41.12 39.59 1l1s n ASP 52 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 1l1s s SER 53 N -0.55 7.23 0.15 -1.12 0.15 -0.96 -4.92 113.70 113.68 1l1s s SER 53 Ca 0.15 1.99 0.17 0.00 0.70 0.00 0.00 55.95 58.96 1l1s s SER 53 Cb 0.10 -2.59 0.75 0.00 -1.71 0.00 0.00 66.02 62.56 1l1s s SER 53 CO 0.07 -0.15 1.51 -1.84 1.20 0.00 0.00 173.24 174.02 1l1s n GLU 54 N 0.66 0.10 -0.21 5.44 0.28 -1.26 -1.80 120.64 123.84 1l1s n GLU 54 Ca 0.02 0.43 0.11 0.00 -0.16 0.00 0.00 57.16 57.55 1l1s n GLU 54 Cb 0.48 -1.72 0.22 0.00 1.43 0.00 0.00 31.44 31.85 1l1s n GLU 54 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1l1s n TYR 55 N -1.91 0.56 -0.34 -1.84 4.02 -1.26 -4.56 117.16 111.83 1l1s n TYR 55 Ca 0.01 -0.31 0.09 0.00 -0.01 0.00 0.00 57.90 57.68 1l1s n TYR 55 Cb 0.13 -0.00 0.26 0.00 -0.02 0.00 0.00 39.34 39.71 1l1s n TYR 55 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1l1s h SER 56 N 4.09 0.79 -0.24 7.72 4.64 -1.62 0.14 113.55 129.08 1l1s h SER 56 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1l1s h SER 56 Cb 0.94 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1l1s h SER 56 CO 0.00 0.37 0.15 1.23 -0.87 0.00 0.00 176.83 177.71 1l1s h GLY 57 N 0.84 0.34 0.96 -0.77 0.00 -1.83 0.17 103.07 102.78 1l1s h GLY 57 Ca 0.51 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 1l1s h GLY 57 CO -0.32 0.13 0.19 -0.55 0.00 0.00 0.00 176.54 175.99 1l1s h ASP 58 N 0.32 0.61 -0.36 0.19 3.32 -1.55 -1.19 116.42 117.77 1l1s h ASP 58 Ca 0.09 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1l1s h ASP 58 Cb -0.02 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1l1s h ASP 58 CO -0.02 0.60 0.09 0.58 -1.72 0.00 0.00 179.24 178.77 1l1s h VAL 59 N 0.59 1.22 -0.53 -1.35 2.07 -0.48 -1.91 116.25 115.87 1l1s h VAL 59 Ca 0.15 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.87 1l1s h VAL 59 Cb 0.17 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1l1s h VAL 59 CO -0.02 0.26 0.13 0.77 0.02 0.00 0.00 177.57 178.73 1l1s h SER 60 N 0.42 0.80 -0.18 0.57 4.64 -0.57 -2.03 113.55 117.21 1l1s h SER 60 Ca 0.11 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1l1s h SER 60 Cb 0.30 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1l1s h SER 60 CO 0.00 0.83 0.11 -0.08 -0.87 0.00 0.00 176.83 176.82 1l1s h GLU 61 N 0.74 0.22 0.00 4.77 4.81 -1.13 -2.13 114.58 121.87 1l1s h GLU 61 Ca 0.17 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1l1s h GLU 61 Cb 0.34 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1l1s h GLU 61 CO 0.00 0.15 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.11 1l1s h LEU 62 N 0.23 0.00 -0.58 1.64 3.38 -1.27 -1.96 115.31 116.75 1l1s h LEU 62 Ca 0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1l1s h LEU 62 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1l1s h LEU 62 CO -0.02 0.25 0.08 0.74 0.09 0.00 0.00 178.44 179.58 1l1s h THR 63 N 0.00 1.26 0.00 0.22 2.02 -0.97 -0.39 112.91 115.05 1l1s h THR 63 Ca -0.00 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1l1s h THR 63 Cb 0.51 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1l1s h THR 63 CO 0.03 0.37 -0.11 1.23 0.37 0.00 0.00 175.52 177.41 1l1s h GLY 64 N 0.88 0.00 -0.82 2.16 0.00 -0.71 -1.18 103.07 103.40 1l1s h GLY 64 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1l1s h GLY 64 CO 0.01 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.49 1l1s n GLN 65 N -3.72 1.64 0.00 4.80 6.02 -0.70 -4.88 117.38 120.54 1l1s n GLN 65 Ca -0.02 -0.98 0.00 0.00 -0.01 0.00 0.00 57.00 55.99 1l1s n GLN 65 Cb 0.22 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.18 1l1s n GLN 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1l1s n GLY 66 N 1.03 0.47 3.70 1.08 0.00 -0.45 -5.07 105.19 105.95 1l1s n GLY 66 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1l1s n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l1s s VAL 67 N -2.00 4.59 -0.34 1.61 1.01 -0.24 -4.67 120.40 120.36 1l1s s VAL 67 Ca 0.00 1.86 -0.12 0.00 0.00 0.00 0.00 61.98 63.72 1l1s s VAL 67 Cb 0.00 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 1l1s s VAL 67 CO 0.00 0.10 0.23 -0.60 0.00 0.00 0.00 175.10 174.82 1l1s s ARG 68 N 1.40 3.39 -0.11 2.72 3.52 -0.93 -3.95 118.95 124.99 1l1s s ARG 68 Ca 0.53 -0.71 -0.14 0.00 -0.13 0.00 0.00 55.73 55.28 1l1s s ARG 68 Cb -0.23 -3.77 -0.05 0.00 -1.56 0.00 0.00 34.95 29.35 1l1s s ARG 68 CO 0.25 -0.48 0.35 -0.06 -0.81 0.00 0.00 175.30 174.55 1l1s s PHE 69 N 1.69 3.54 -0.11 5.12 0.40 -1.26 -0.40 117.98 126.96 1l1s s PHE 69 Ca 0.05 0.74 0.03 0.00 -0.60 0.00 0.00 56.93 57.16 1l1s s PHE 69 Cb -0.18 -2.35 0.01 0.00 0.51 0.00 0.00 43.02 41.01 1l1s s PHE 69 CO 0.09 0.35 -0.21 0.00 0.70 0.00 0.00 175.22 176.15 1l1s s ALA 71 N 0.57 3.80 -0.26 0.00 0.00 0.31 -1.88 121.76 124.30 1l1s s ALA 71 Ca -0.14 -0.89 -0.25 0.00 0.00 0.00 0.00 51.96 50.67 1l1s s ALA 71 Cb -0.17 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1l1s s ALA 71 CO 0.04 0.78 0.88 0.00 0.00 0.00 0.00 175.76 177.46 1l1s h SER 73 N 7.75 0.37 0.09 0.00 0.87 -0.86 -1.86 113.55 119.91 1l1s h SER 73 Ca -0.22 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.36 1l1s h SER 73 Cb 1.09 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1l1s h SER 73 CO 0.90 0.17 -0.04 0.78 -0.53 0.00 0.00 176.83 178.12 1l1s h ASN 74 N 0.39 -0.10 -0.83 6.23 -0.26 -1.83 -3.33 115.58 115.84 1l1s h ASN 74 Ca 0.41 -0.11 0.20 0.00 -0.56 0.00 0.00 56.30 56.24 1l1s h ASN 74 Cb 1.02 0.03 -0.13 0.00 -1.06 0.00 0.00 38.32 38.18 1l1s h ASN 74 CO -0.14 0.43 0.26 0.71 -1.06 0.00 0.00 177.43 177.64 1l1s h THR 75 N -1.02 0.43 -0.62 2.81 1.35 -1.90 -1.62 112.91 112.34 1l1s h THR 75 Ca -0.01 -0.10 0.07 0.00 -0.55 0.00 0.00 66.41 65.82 1l1s h THR 75 Cb 0.21 0.12 -0.10 0.00 -1.73 0.00 0.00 68.15 66.64 1l1s h THR 75 CO 0.02 0.05 -0.53 -0.07 -0.25 0.00 0.00 175.52 174.75 1l1s h LEU 76 N 0.29 -1.82 0.55 3.87 3.38 -1.46 0.55 115.31 120.66 1l1s h LEU 76 Ca 0.50 0.27 -0.02 0.00 0.09 0.00 0.00 57.88 58.73 1l1s h LEU 76 Cb 0.94 0.79 -0.02 0.00 0.09 0.00 0.00 40.66 42.47 1l1s h LEU 76 CO -0.57 -0.34 -0.47 -0.09 0.09 0.00 0.00 178.44 177.06 1l1s h ARG 77 N -0.24 -0.97 -1.48 1.13 2.43 -1.43 -0.80 114.38 113.03 1l1s h ARG 77 Ca 0.13 0.07 0.44 0.00 -0.81 0.00 0.00 59.98 59.81 1l1s h ARG 77 Cb 0.54 0.22 -0.09 0.00 -0.42 0.00 0.00 29.97 30.22 1l1s h ARG 77 CO -0.72 -0.65 1.02 0.00 -1.51 0.00 0.00 179.97 178.11 1l1s h ALA 78 N -0.81 3.15 -0.59 2.80 0.00 -0.51 1.53 119.26 124.81 1l1s h ALA 78 Ca -0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1l1s h ALA 78 Cb 0.86 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1l1s h ALA 78 CO -0.02 -1.67 0.00 0.43 0.00 0.00 0.00 179.25 177.99 1l1s n SER 79 N -4.33 5.66 -2.98 0.00 7.64 0.18 -5.08 113.62 114.71 1l1s n SER 79 Ca 0.36 -2.87 -0.07 0.00 1.01 0.00 0.00 58.87 57.30 1l1s n SER 79 Cb 1.53 -0.68 0.01 0.00 -1.01 0.00 0.00 64.21 64.06 1l1s n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1l1s n GLY 80 N 0.70 -1.99 3.82 0.23 0.00 0.52 -5.01 105.19 103.46 1l1s n GLY 80 Ca 0.28 0.59 -0.01 0.00 0.00 0.00 0.00 46.02 46.88 1l1s n GLY 80 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1l1s s ASP 82 N -1.63 -0.05 0.65 1.61 3.84 -1.26 -4.99 116.67 114.84 1l1s s ASP 82 Ca 0.10 -0.39 0.37 0.00 -0.00 0.00 0.00 52.55 52.62 1l1s s ASP 82 Cb -0.02 0.34 2.01 0.00 -1.38 0.00 0.00 42.92 43.88 1l1s s ASP 82 CO 0.59 -0.66 2.17 1.23 -0.00 0.00 0.00 175.17 178.49 1l1s h GLY 83 N 2.00 0.00 2.00 2.12 0.00 -1.99 -1.41 103.07 105.79 1l1s h GLY 83 Ca -0.26 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1l1s h GLY 83 CO 0.31 0.00 -0.06 -0.55 0.00 0.00 0.00 176.54 176.24 1l1s h ASP 84 N 0.00 0.00 1.20 0.19 5.19 -2.02 -2.78 116.42 118.20 1l1s h ASP 84 Ca 0.02 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1l1s h ASP 84 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 1l1s h ASP 84 CO -0.00 0.06 -0.31 0.44 -3.12 0.00 0.00 179.24 176.31 1l1s h ASP 85 N 0.00 0.00 -3.65 6.45 3.32 -1.68 -3.47 116.42 117.39 1l1s h ASP 85 Ca -0.00 -0.10 -0.51 0.00 0.02 0.00 0.00 57.03 56.44 1l1s h ASP 85 Cb 0.57 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1l1s h ASP 85 CO 0.01 0.05 0.10 -0.76 -1.72 0.00 0.00 179.24 176.92 1l1s s LEU 86 N -4.45 4.19 0.65 1.55 1.43 -1.05 -1.45 118.68 119.55 1l1s s LEU 86 Ca 0.08 1.33 -0.18 0.00 -1.03 0.00 0.00 54.13 54.34 1l1s s LEU 86 Cb 0.13 -3.85 -0.01 0.00 0.03 0.00 0.00 46.19 42.49 1l1s s LEU 86 CO 0.66 -0.10 1.26 -0.22 0.23 0.00 0.00 176.35 178.18 1l1s s LEU 87 N -2.53 3.54 0.33 1.79 2.96 -0.52 -4.55 118.68 119.70 1l1s s LEU 87 Ca 0.49 2.52 -0.29 0.00 -0.22 0.00 0.00 54.13 56.63 1l1s s LEU 87 Cb -0.13 -4.61 -0.10 0.00 0.50 0.00 0.00 46.19 41.85 1l1s s LEU 87 CO 0.19 -1.98 1.37 -1.83 -1.32 0.00 0.00 176.35 172.78 1l1s s GLU 88 N -3.48 4.29 0.00 1.98 -1.05 -1.26 -2.58 118.70 116.60 1l1s s GLU 88 Ca 0.80 2.31 0.00 0.00 -0.15 0.00 0.00 54.97 57.93 1l1s s GLU 88 Cb -0.34 -3.05 0.00 0.00 -0.44 0.00 0.00 34.13 30.30 1l1s s GLU 88 CO 0.39 -0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.71 1l1s n GLY 89 N 0.92 3.25 3.71 -3.83 0.00 -1.26 -4.90 105.19 103.08 1l1s n GLY 89 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1l1s n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l1s s VAL 90 N -2.92 4.51 0.27 1.61 1.01 -1.06 -4.66 120.40 119.16 1l1s s VAL 90 Ca 0.00 1.82 0.05 0.00 0.00 0.00 0.00 61.98 63.84 1l1s s VAL 90 Cb 0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1l1s s VAL 90 CO 0.00 0.15 0.41 -1.81 0.00 0.00 0.00 175.10 173.85 1l1s s ASP 91 N 0.96 6.25 -0.10 3.32 1.01 -0.00 -4.95 116.67 123.15 1l1s s ASP 91 Ca 0.54 0.08 0.02 0.00 0.71 0.00 0.00 52.55 53.90 1l1s s ASP 91 Cb -0.25 -1.77 -0.01 0.00 1.01 0.00 0.00 42.92 41.90 1l1s s ASP 91 CO 0.29 -0.17 -0.16 -0.69 0.21 0.00 0.00 175.17 174.64 1l1s s VAL 92 N -2.06 2.77 0.22 -1.27 1.01 -1.26 -0.53 120.40 119.27 1l1s s VAL 92 Ca 0.37 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.66 1l1s s VAL 92 Cb -0.09 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1l1s s VAL 92 CO 0.30 0.55 -0.01 0.68 0.00 0.00 0.00 175.10 176.62 1l1s s VAL 93 N 0.12 3.52 0.39 2.92 -7.23 -0.19 -4.90 120.40 115.04 1l1s s VAL 93 Ca -0.08 -1.68 0.08 0.00 -1.81 0.00 0.00 61.98 58.49 1l1s s VAL 93 Cb -0.15 -2.82 0.19 0.00 0.56 0.00 0.00 36.38 34.16 1l1s s VAL 93 CO 0.05 -0.23 1.96 0.77 -0.31 0.00 0.00 175.10 177.34 1l1s h SER 94 N 2.35 0.34 -3.13 4.85 4.64 -1.97 0.12 113.55 120.75 1l1s h SER 94 Ca -0.46 -0.05 -0.08 0.00 -0.47 0.00 0.00 61.79 60.74 1l1s h SER 94 Cb 1.22 -0.09 -0.25 0.00 -0.31 0.00 0.00 62.40 62.98 1l1s h SER 94 CO 0.58 0.39 -0.22 -0.55 -0.87 0.00 0.00 176.83 176.16 1l1s s SER 95 N -6.81 -0.62 0.06 4.97 0.15 -1.26 -3.83 113.70 106.35 1l1s s SER 95 Ca -0.07 1.06 -0.33 0.00 0.70 0.00 0.00 55.95 57.31 1l1s s SER 95 Cb 0.16 0.96 -0.19 0.00 -1.71 0.00 0.00 66.02 65.24 1l1s s SER 95 CO 0.74 -0.21 1.54 1.23 1.20 0.00 0.00 173.24 177.73 1l1s h GLY 96 N 7.15 -1.03 1.10 9.45 0.00 -1.88 0.13 103.07 118.00 1l1s h GLY 96 Ca -0.34 0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 1l1s h GLY 96 CO 0.25 -0.37 0.27 -0.39 0.00 0.00 0.00 176.54 176.30 1l1s h VAL 97 N -1.04 1.26 -0.36 4.60 -1.51 -1.98 -1.84 116.25 115.37 1l1s h VAL 97 Ca -0.10 -0.84 -0.00 0.00 -1.23 0.00 0.00 66.70 64.53 1l1s h VAL 97 Cb 0.77 0.38 -0.02 0.00 -2.13 0.00 0.00 31.29 30.30 1l1s h VAL 97 CO 0.17 0.34 0.21 1.23 -1.23 0.00 0.00 177.57 178.29 1l1s h GLY 98 N 1.13 0.52 0.99 5.19 0.00 -1.95 0.19 103.07 109.14 1l1s h GLY 98 Ca 0.25 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.37 1l1s h GLY 98 CO -0.02 0.21 0.46 0.84 0.00 0.00 0.00 176.54 178.04 1l1s h HIS 99 N 0.46 0.88 -0.60 5.60 6.17 -0.48 0.66 115.15 127.85 1l1s h HIS 99 Ca 0.13 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.23 1l1s h HIS 99 Cb 0.01 -0.30 -0.03 0.00 2.52 0.00 0.00 27.41 29.61 1l1s h HIS 99 CO -0.04 0.55 0.36 0.82 0.71 0.00 0.00 177.93 180.33 1l1s h ILE 100 N 0.95 1.17 -0.57 6.26 2.04 -0.90 0.32 117.51 126.77 1l1s h ILE 100 Ca 0.26 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 1l1s h ILE 100 Cb -0.10 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 1l1s h ILE 100 CO -0.06 0.18 0.05 0.58 0.00 0.00 0.00 178.15 178.89 1l1s h VAL 101 N 0.81 1.26 -0.36 1.67 2.07 -0.35 -0.08 116.25 121.26 1l1s h VAL 101 Ca 0.21 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1l1s h VAL 101 Cb -0.03 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1l1s h VAL 101 CO -0.04 0.38 0.17 0.03 0.02 0.00 0.00 177.57 178.14 1l1s h ARG 102 N 0.87 0.53 0.04 1.57 3.08 -0.56 -0.15 114.38 119.75 1l1s h ARG 102 Ca 0.17 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 1l1s h ARG 102 Cb 0.48 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1l1s h ARG 102 CO 0.02 0.47 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.28 1l1s h ARG 103 N 0.45 -0.05 -1.01 0.04 9.65 -0.68 -0.14 114.38 122.64 1l1s h ARG 103 Ca 0.13 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 59.05 1l1s h ARG 103 Cb 0.12 0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 28.65 1l1s h ARG 103 CO -0.02 -0.04 0.66 1.96 2.80 0.00 0.00 179.97 185.33 1l1s h GLN 104 N -0.06 1.21 0.00 0.20 4.20 -0.89 0.05 115.11 119.83 1l1s h GLN 104 Ca -0.00 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1l1s h GLN 104 Cb 0.05 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.55 1l1s h GLN 104 CO 0.01 0.80 -0.21 1.15 -0.67 0.00 0.00 178.83 179.91 1l1s h THR 105 N 1.25 0.98 -0.15 -0.54 2.02 -0.44 -1.50 112.91 114.52 1l1s h THR 105 Ca 0.41 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1l1s h THR 105 Cb 0.04 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1l1s h THR 105 CO -0.14 0.20 0.00 -0.62 0.37 0.00 0.00 175.52 175.34 1l1s n GLU 106 N -4.04 1.45 -0.09 6.66 1.02 -0.08 -4.89 120.64 120.67 1l1s n GLU 106 Ca -0.02 -0.69 0.00 0.00 -0.02 0.00 0.00 57.16 56.43 1l1s n GLU 106 Cb 0.28 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1l1s n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1l1s n GLY 107 N 0.91 0.54 3.79 0.62 0.00 -0.57 -5.06 105.19 105.43 1l1s n GLY 107 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1l1s n GLY 107 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1l1s s TRP 108 N -2.17 2.94 0.52 1.61 0.52 -0.72 -4.90 118.94 116.74 1l1s s TRP 108 Ca 0.00 1.57 -0.11 0.00 0.02 0.00 0.00 56.10 57.58 1l1s s TRP 108 Cb 0.00 -3.18 -0.05 0.00 -1.15 0.00 0.00 33.47 29.09 1l1s s TRP 108 CO 0.00 -1.08 0.92 0.00 0.02 0.00 0.00 176.95 176.82 1l1s s ALA 109 N -1.81 3.20 -0.08 0.98 0.00 0.33 -4.36 121.76 120.02 1l1s s ALA 109 Ca 0.67 -0.12 0.04 0.00 0.00 0.00 0.00 51.96 52.54 1l1s s ALA 109 Cb -0.21 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1l1s s ALA 109 CO 0.25 -0.37 -0.20 -0.47 0.00 0.00 0.00 175.76 174.97 1l1s s TYR 110 N -2.79 2.12 -0.08 0.00 5.04 -1.26 -1.60 117.35 118.78 1l1s s TYR 110 Ca 0.54 -0.80 0.01 0.00 -2.44 0.00 0.00 57.07 54.38 1l1s s TYR 110 Cb -0.10 -1.44 0.02 0.00 0.35 0.00 0.00 41.96 40.78 1l1s s TYR 110 CO 0.42 -0.33 -0.10 0.42 -1.34 0.00 0.00 175.55 174.62 1l1s s ILE 111 N 0.37 1.04 -0.52 3.14 -1.09 -0.91 -4.99 121.20 118.23 1l1s s ILE 111 Ca -0.15 -0.38 0.04 0.00 -2.23 0.00 0.00 60.65 57.93 1l1s s ILE 111 Cb -0.16 -0.99 0.13 0.00 -1.58 0.00 0.00 42.46 39.86 1l1s s ILE 111 CO 0.06 0.34 0.26 -0.60 -1.23 0.00 0.00 174.94 173.78 1l1s s ARG 112 N 1.02 1.98 0.00 2.79 3.00 -1.26 -1.54 118.95 124.94 1l1s s ARG 112 Ca -0.08 -2.62 0.05 0.00 -1.00 0.00 0.00 55.73 52.08 1l1s s ARG 112 Cb -0.15 -3.32 0.32 0.00 0.00 0.00 0.00 34.95 31.80 1l1s s ARG 112 CO -0.00 -1.11 0.79 -2.30 0.00 0.00 0.00 175.30 172.68