#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3h h VAL 5 N 0.00 0.31 -0.10 -3.33 2.07 -1.89 -0.08 116.25 113.23 1a3h h VAL 5 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1a3h h VAL 5 Cb 0.00 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1a3h h VAL 5 CO 0.00 0.00 -0.39 0.58 0.02 0.00 0.00 177.57 177.78 1a3h h VAL 6 N -0.74 1.30 -0.49 2.57 2.07 -1.75 -0.32 116.25 118.89 1a3h h VAL 6 Ca -0.03 -1.45 -0.12 0.00 0.82 0.00 0.00 66.70 65.91 1a3h h VAL 6 Cb 0.65 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1a3h h VAL 6 CO -0.03 0.43 -0.19 -0.08 0.02 0.00 0.00 177.57 177.73 1a3h h GLU 7 N 0.18 0.97 -0.07 1.57 4.81 -1.79 0.24 114.58 120.50 1a3h h GLU 7 Ca 0.02 -0.40 -0.06 0.00 -0.13 0.00 0.00 59.36 58.80 1a3h h GLU 7 Cb 0.77 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1a3h h GLU 7 CO 0.06 1.07 -0.18 1.49 -0.73 0.00 0.00 179.01 180.72 1a3h h GLU 8 N 0.85 0.24 0.00 1.92 4.81 -0.77 -3.35 114.58 118.28 1a3h h GLU 8 Ca 0.12 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 59.03 1a3h h GLU 8 Cb 0.75 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 1a3h h GLU 8 CO 0.06 0.77 -1.56 0.72 -0.73 0.00 0.00 179.01 178.27 1a3h n HIS 9 N -4.57 0.75 0.00 0.92 8.25 -0.15 -4.90 115.22 115.51 1a3h n HIS 9 Ca -0.08 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1a3h n HIS 9 Cb 0.40 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.52 1a3h n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1a3h n GLY 10 N 1.40 3.30 3.64 -1.41 0.00 0.85 -1.95 105.19 111.02 1a3h n GLY 10 Ca -0.11 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1a3h n GLY 10 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a3h s GLN 11 N 0.00 3.90 0.26 1.61 2.00 -1.26 -4.82 119.66 121.35 1a3h s GLN 11 Ca 0.00 1.86 -0.11 0.00 -2.00 0.00 0.00 55.36 55.11 1a3h s GLN 11 Cb 0.00 -4.03 -0.08 0.00 0.80 0.00 0.00 33.01 29.70 1a3h s GLN 11 CO 0.00 -1.17 0.60 -0.51 -0.50 0.00 0.00 175.29 173.71 1a3h s LEU 12 N 4.93 4.13 0.29 3.68 1.43 -1.26 -1.99 118.68 129.89 1a3h s LEU 12 Ca 0.73 1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 54.72 1a3h s LEU 12 Cb -0.28 -3.79 0.01 0.00 0.03 0.00 0.00 46.19 42.16 1a3h s LEU 12 CO 0.29 -0.12 0.56 -0.94 0.23 0.00 0.00 176.35 176.37 1a3h s SER 13 N -2.37 0.09 -0.20 2.29 1.04 -0.72 -4.62 113.70 109.20 1a3h s SER 13 Ca 0.49 -1.02 -0.06 0.00 0.48 0.00 0.00 55.95 55.84 1a3h s SER 13 Cb -0.11 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.64 1a3h s SER 13 CO 0.21 -1.28 0.03 -0.63 0.98 0.00 0.00 173.24 172.55 1a3h s ILE 14 N -3.57 4.27 -0.13 -1.02 -1.09 -1.26 -1.06 121.20 117.33 1a3h s ILE 14 Ca 0.21 -0.20 -0.00 0.00 -2.23 0.00 0.00 60.65 58.43 1a3h s ILE 14 Cb -0.02 -2.94 0.03 0.00 -1.58 0.00 0.00 42.46 37.95 1a3h s ILE 14 CO 0.11 0.42 -0.08 -0.55 -1.23 0.00 0.00 174.94 173.61 1a3h s SER 15 N 0.94 2.46 -1.53 3.58 0.15 -0.35 -4.83 113.70 114.13 1a3h s SER 15 Ca 0.02 -0.44 -0.08 0.00 0.70 0.00 0.00 55.95 56.15 1a3h s SER 15 Cb -0.14 -0.91 0.07 0.00 -1.71 0.00 0.00 66.02 63.32 1a3h s SER 15 CO 0.02 -0.13 0.63 0.59 1.20 0.00 0.00 173.24 175.55 1a3h n ASN 16 N 4.90 -1.95 -0.27 5.45 5.03 -1.26 -1.53 115.26 125.64 1a3h n ASN 16 Ca -0.13 -0.98 -0.03 0.00 0.87 0.00 0.00 54.58 54.31 1a3h n ASN 16 Cb 0.49 -3.08 -0.01 0.00 -1.02 0.00 0.00 39.78 36.16 1a3h n ASN 16 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a3h n GLY 17 N -1.73 0.59 3.36 7.41 0.00 -1.26 -5.00 105.19 108.57 1a3h n GLY 17 Ca -0.13 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 1a3h n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a3h s GLU 18 N -1.59 1.98 -0.05 1.61 0.41 -0.58 -4.04 118.70 116.44 1a3h s GLU 18 Ca 0.00 -1.01 -0.30 0.00 -0.41 0.00 0.00 54.97 53.25 1a3h s GLU 18 Cb 0.00 -2.06 -0.04 0.00 -1.78 0.00 0.00 34.13 30.26 1a3h s GLU 18 CO 0.00 0.54 1.24 -1.17 -0.49 0.00 0.00 175.26 175.38 1a3h s LEU 19 N -1.06 4.28 0.14 1.80 2.96 -1.26 -1.21 118.68 124.32 1a3h s LEU 19 Ca 0.12 1.86 0.05 0.00 -0.22 0.00 0.00 54.13 55.93 1a3h s LEU 19 Cb -0.10 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1a3h s LEU 19 CO 0.02 -0.62 -0.11 0.68 -1.32 0.00 0.00 176.35 175.00 1a3h s VAL 20 N 2.35 1.15 0.55 1.68 -7.23 -0.22 -2.12 120.40 116.56 1a3h s VAL 20 Ca 0.57 -1.95 -0.07 0.00 -1.81 0.00 0.00 61.98 58.72 1a3h s VAL 20 Cb -0.26 -1.73 0.12 0.00 0.56 0.00 0.00 36.38 35.08 1a3h s VAL 20 CO 0.22 -0.67 0.74 -0.46 -0.31 0.00 0.00 175.10 174.62 1a3h n ASN 21 N 0.02 0.28 0.04 4.85 0.23 -0.08 -1.76 115.26 118.84 1a3h n ASN 21 Ca -0.12 -1.41 0.09 0.00 -0.53 0.00 0.00 54.58 52.62 1a3h n ASN 21 Cb 0.60 -0.55 0.39 0.00 -2.08 0.00 0.00 39.78 38.14 1a3h n ASN 21 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1a3h n GLU 22 N -2.53 0.06 -0.27 -3.83 0.28 -0.82 -1.01 120.64 112.52 1a3h n GLU 22 Ca 0.10 0.28 0.10 0.00 -0.16 0.00 0.00 57.16 57.48 1a3h n GLU 22 Cb 0.35 -1.62 0.25 0.00 1.43 0.00 0.00 31.44 31.86 1a3h n GLU 22 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1a3h n ARG 23 N -1.73 2.63 -0.85 3.44 1.74 -1.26 -4.97 116.66 115.66 1a3h n ARG 23 Ca 0.03 -2.39 0.00 0.00 -0.77 0.00 0.00 57.85 54.73 1a3h n ARG 23 Cb 0.21 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 1a3h n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1a3h n GLY 24 N 1.31 0.63 3.82 -0.13 0.00 -0.18 -5.04 105.19 105.60 1a3h n GLY 24 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1a3h n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1a3h s GLU 25 N -0.15 4.12 0.34 1.61 2.02 -1.26 -4.77 118.70 120.61 1a3h s GLU 25 Ca 0.00 0.65 -0.29 0.00 0.02 0.00 0.00 54.97 55.35 1a3h s GLU 25 Cb 0.00 -3.11 -0.11 0.00 0.10 0.00 0.00 34.13 31.01 1a3h s GLU 25 CO 0.00 0.57 1.54 -0.65 0.02 0.00 0.00 175.26 176.74 1a3h s GLN 26 N -1.45 4.11 0.02 1.61 -0.21 -1.26 -0.90 119.66 121.57 1a3h s GLN 26 Ca 0.33 2.59 0.03 0.00 0.02 0.00 0.00 55.36 58.32 1a3h s GLN 26 Cb -0.18 -2.99 -0.01 0.00 1.00 0.00 0.00 33.01 30.83 1a3h s GLN 26 CO 0.19 -0.59 -0.09 0.14 -2.12 0.00 0.00 175.29 172.82 1a3h s VAL 27 N -0.66 0.70 -0.14 1.09 -7.23 -0.90 -4.84 120.40 108.42 1a3h s VAL 27 Ca 0.57 -0.70 0.02 0.00 -1.81 0.00 0.00 61.98 60.07 1a3h s VAL 27 Cb -0.47 -0.65 0.01 0.00 0.56 0.00 0.00 36.38 35.83 1a3h s VAL 27 CO 0.57 -0.03 -0.21 -1.58 -0.31 0.00 0.00 175.10 173.55 1a3h s GLN 28 N -0.80 2.89 -0.07 4.82 0.74 -1.26 -4.70 119.66 121.27 1a3h s GLN 28 Ca -0.01 -0.80 -0.12 0.00 0.05 0.00 0.00 55.36 54.48 1a3h s GLN 28 Cb -0.06 -2.38 -0.05 0.00 1.10 0.00 0.00 33.01 31.62 1a3h s GLN 28 CO 0.00 -0.07 0.29 -0.51 -0.55 0.00 0.00 175.29 174.46 1a3h s LEU 29 N 0.95 4.40 -0.03 3.68 1.43 -1.26 -4.99 118.68 122.86 1a3h s LEU 29 Ca -0.04 0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 53.76 1a3h s LEU 29 Cb -0.15 -2.36 0.03 0.00 0.03 0.00 0.00 46.19 43.74 1a3h s LEU 29 CO -0.04 0.31 0.02 -0.54 0.23 0.00 0.00 176.35 176.33 1a3h s LYS 30 N -0.75 0.12 0.00 1.70 1.02 -1.26 -0.64 119.74 119.93 1a3h s LYS 30 Ca 0.19 0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.35 1a3h s LYS 30 Cb -0.14 -0.41 0.00 0.00 -0.52 0.00 0.00 37.83 36.75 1a3h s LYS 30 CO 0.08 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 1a3h n GLY 31 N 4.38 2.13 3.42 -3.33 0.00 -0.62 -2.00 105.19 109.17 1a3h n GLY 31 Ca -0.23 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1a3h n GLY 31 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a3h s MET 32 N 1.03 1.52 -0.06 1.61 -1.94 -1.21 -1.18 119.30 119.06 1a3h s MET 32 Ca 0.00 -1.34 -0.04 0.00 -1.71 0.00 0.00 55.69 52.61 1a3h s MET 32 Cb 0.00 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.85 1a3h s MET 32 CO 0.00 0.45 0.11 0.45 -0.01 0.00 0.00 175.02 176.02 1a3h s SER 33 N -2.20 6.01 1.00 3.03 0.15 0.17 -1.19 113.70 120.68 1a3h s SER 33 Ca 0.16 0.31 -0.12 0.00 0.70 0.00 0.00 55.95 57.00 1a3h s SER 33 Cb -0.10 -1.84 0.19 0.00 -1.71 0.00 0.00 66.02 62.56 1a3h s SER 33 CO 0.08 0.34 1.08 -0.94 1.20 0.00 0.00 173.24 175.00 1a3h s SER 34 N -1.38 2.45 0.47 5.45 1.04 -0.02 -0.82 113.70 120.89 1a3h s SER 34 Ca 0.19 1.48 0.00 0.00 0.48 0.00 0.00 55.95 58.10 1a3h s SER 34 Cb -0.12 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.84 1a3h s SER 34 CO 0.09 -3.28 0.00 1.57 0.98 0.00 0.00 173.24 172.60 1a3h n HIS 35 N -4.30 -2.56 -1.72 5.02 -0.00 -1.26 -4.54 115.22 105.86 1a3h n HIS 35 Ca 0.06 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.82 1a3h n HIS 35 Cb 0.55 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.39 1a3h n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1a3h n GLY 36 N 5.00 1.50 0.29 1.57 0.00 -1.26 -4.38 105.19 107.90 1a3h n GLY 36 Ca 0.00 0.60 0.17 0.00 0.00 0.00 0.00 46.02 46.79 1a3h n GLY 36 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a3h h LEU 37 N 6.48 0.00 -0.10 0.99 3.38 -1.80 -0.51 115.31 123.73 1a3h h LEU 37 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1a3h h LEU 37 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1a3h h LEU 37 CO 0.93 0.05 0.00 0.00 0.09 0.00 0.00 178.44 179.51 1a3h n GLN 38 N -3.28 0.11 -0.01 1.13 0.00 -1.26 -3.28 117.38 110.79 1a3h n GLN 38 Ca -0.01 0.17 -0.02 0.00 0.00 0.00 0.00 57.00 57.14 1a3h n GLN 38 Cb 0.22 -1.65 -0.01 0.00 0.00 0.00 0.00 30.24 28.80 1a3h n GLN 38 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 1a3h n TRP 39 N -1.84 0.00 -2.34 2.61 8.01 -0.63 -4.87 117.44 118.38 1a3h n TRP 39 Ca 0.05 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.17 1a3h n TRP 39 Cb 0.32 -0.11 0.05 0.00 -2.01 0.00 0.00 31.31 29.57 1a3h n TRP 39 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 1a3h n TYR 40 N -2.61 1.50 0.30 -5.99 4.01 -0.30 -4.86 117.16 109.22 1a3h n TYR 40 Ca -0.05 -1.88 0.19 0.00 -0.16 0.00 0.00 57.90 56.00 1a3h n TYR 40 Cb 0.55 -0.26 0.90 0.00 -0.31 0.00 0.00 39.34 40.22 1a3h n TYR 40 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1a3h h GLY 41 N 2.05 0.00 2.00 2.72 0.00 -1.71 -2.82 103.07 105.32 1a3h h GLY 41 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 1a3h h GLY 41 CO 0.36 0.00 -0.02 0.06 0.00 0.00 0.00 176.54 176.94 1a3h h GLN 42 N 0.00 0.00 -0.03 4.80 -0.00 -1.89 -1.75 115.11 116.25 1a3h h GLN 42 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1a3h h GLN 42 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.78 1a3h h GLN 42 CO 0.00 0.02 0.00 1.19 -0.00 0.00 0.00 178.83 180.04 1a3h n PHE 43 N -3.15 0.03 -3.74 0.06 3.72 -1.06 -4.65 117.46 108.67 1a3h n PHE 43 Ca -0.01 -0.02 -0.37 0.00 -0.05 0.00 0.00 57.45 57.00 1a3h n PHE 43 Cb 0.22 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.64 1a3h n PHE 43 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1a3h s VAL 44 N -1.97 3.51 0.11 -4.37 1.01 -0.66 -4.78 120.40 113.26 1a3h s VAL 44 Ca 0.39 -1.80 -0.25 0.00 0.00 0.00 0.00 61.98 60.31 1a3h s VAL 44 Cb 0.19 -3.29 0.08 0.00 0.00 0.00 0.00 36.38 33.36 1a3h s VAL 44 CO 0.31 -0.57 0.78 0.54 0.00 0.00 0.00 175.10 176.15 1a3h s ASN 45 N 1.87 -0.40 0.20 3.32 2.20 -1.26 -4.89 114.94 115.98 1a3h s ASN 45 Ca 0.05 -0.12 -0.11 0.00 -0.94 0.00 0.00 52.86 51.74 1a3h s ASN 45 Cb -0.23 0.51 0.26 0.00 -2.00 0.00 0.00 41.25 39.80 1a3h s ASN 45 CO -0.02 -0.86 1.70 0.22 -2.94 0.00 0.00 177.10 175.20 1a3h h TYR 46 N 2.00 0.17 -0.43 1.54 3.20 -1.95 -1.70 116.97 119.80 1a3h h TYR 46 Ca -0.26 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.61 1a3h h TYR 46 Cb 1.27 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.53 1a3h h TYR 46 CO 0.28 -0.03 0.15 1.49 -1.64 0.00 0.00 178.16 178.41 1a3h h GLU 47 N 0.24 0.66 -0.37 1.82 4.81 -1.95 0.32 114.58 120.12 1a3h h GLU 47 Ca 0.30 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 1a3h h GLU 47 Cb 0.43 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1a3h h GLU 47 CO -0.39 0.63 -0.22 0.66 -0.73 0.00 0.00 179.01 178.96 1a3h h SER 48 N 0.55 0.73 -0.14 1.04 4.64 -1.49 -1.53 113.55 117.34 1a3h h SER 48 Ca 0.14 -0.25 -0.13 0.00 -0.47 0.00 0.00 61.79 61.08 1a3h h SER 48 Cb 0.24 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1a3h h SER 48 CO -0.01 0.93 -0.34 -0.03 -0.87 0.00 0.00 176.83 176.51 1a3h h MET 49 N 0.63 0.65 -0.56 4.77 1.85 -1.14 -0.77 114.93 120.36 1a3h h MET 49 Ca 0.09 -0.31 -0.11 0.00 -0.61 0.00 0.00 59.70 58.76 1a3h h MET 49 Cb 0.71 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.71 1a3h h MET 49 CO 0.05 0.90 -0.08 -0.22 -0.40 0.00 0.00 176.91 177.16 1a3h h LYS 50 N 0.55 1.05 -0.46 0.39 3.64 -0.70 -0.30 116.57 120.73 1a3h h LYS 50 Ca 0.06 -0.38 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1a3h h LYS 50 Cb 0.85 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1a3h h LYS 50 CO 0.07 1.07 0.22 2.35 -2.27 0.00 0.00 179.45 180.89 1a3h h TRP 51 N 0.93 0.66 -0.68 1.91 2.91 -1.06 0.86 115.95 121.48 1a3h h TRP 51 Ca 0.15 -0.03 0.02 0.00 1.13 0.00 0.00 58.89 60.15 1a3h h TRP 51 Cb 0.65 -0.21 -0.04 0.00 -0.51 0.00 0.00 29.16 29.06 1a3h h TRP 51 CO 0.05 0.54 0.44 -0.07 -1.03 0.00 0.00 178.44 178.36 1a3h h LEU 52 N 0.60 0.74 -0.11 0.65 3.38 -0.93 0.38 115.31 120.02 1a3h h LEU 52 Ca 0.16 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1a3h h LEU 52 Cb 0.13 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1a3h h LEU 52 CO -0.02 0.52 0.06 -0.09 0.09 0.00 0.00 178.44 179.00 1a3h h ARG 53 N 0.88 0.15 0.19 1.13 2.43 -0.58 -1.31 114.38 117.26 1a3h h ARG 53 Ca 0.26 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 59.09 1a3h h ARG 53 Cb -0.04 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1a3h h ARG 53 CO -0.08 0.19 -1.51 -0.44 -1.51 0.00 0.00 179.97 176.62 1a3h h ASP 54 N 0.07 0.64 0.11 -3.80 3.32 -0.66 -2.37 116.42 113.73 1a3h h ASP 54 Ca 0.04 -0.77 -0.37 0.00 0.02 0.00 0.00 57.03 55.95 1a3h h ASP 54 Cb 0.09 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 1a3h h ASP 54 CO -0.01 1.62 -2.17 -0.67 -1.72 0.00 0.00 179.24 176.29 1a3h n ASP 55 N -3.61 1.77 -0.01 6.45 2.03 0.11 -4.48 116.55 118.81 1a3h n ASP 55 Ca -0.17 0.09 -0.02 0.00 0.52 0.00 0.00 54.79 55.21 1a3h n ASP 55 Cb 1.07 -0.47 -0.11 0.00 -0.72 0.00 0.00 41.12 40.89 1a3h n ASP 55 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1a3h n TRP 56 N -3.30 0.70 -0.44 -0.67 7.02 -0.70 -4.92 117.44 115.13 1a3h n TRP 56 Ca -0.35 0.24 0.00 0.00 -1.02 0.00 0.00 57.50 56.36 1a3h n TRP 56 Cb 1.04 -1.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.90 1a3h n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1a3h n GLY 57 N 1.47 0.75 3.71 6.99 0.00 -0.58 -2.84 105.19 114.70 1a3h n GLY 57 Ca -0.15 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 1a3h n GLY 57 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1a3h n ILE 58 N -2.44 4.72 -0.42 -0.61 -5.35 -0.96 -4.93 119.36 109.36 1a3h n ILE 58 Ca 0.00 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1a3h n ILE 58 Cb 0.00 -1.45 0.00 0.00 -1.74 0.00 0.00 39.64 36.45 1a3h n ILE 58 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1a3h n ASN 59 N -1.68 1.06 -3.73 7.28 0.23 -0.85 -4.54 115.26 113.03 1a3h n ASN 59 Ca 0.15 -1.48 -0.14 0.00 -0.53 0.00 0.00 54.58 52.58 1a3h n ASN 59 Cb 0.48 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.09 1a3h n ASN 59 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1a3h s VAL 60 N -0.48 0.04 -0.02 3.53 0.11 -1.25 -1.54 120.40 120.78 1a3h s VAL 60 Ca 0.00 -0.33 0.02 0.00 -2.93 0.00 0.00 61.98 58.74 1a3h s VAL 60 Cb 0.00 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.22 1a3h s VAL 60 CO 0.00 -0.18 -0.08 0.12 -3.33 0.00 0.00 175.10 171.63 1a3h s PHE 61 N -0.98 0.76 -0.21 1.54 5.36 -0.67 -3.36 117.98 120.44 1a3h s PHE 61 Ca -0.10 -0.17 -0.04 0.00 -0.96 0.00 0.00 56.93 55.66 1a3h s PHE 61 Cb -0.04 -0.54 -0.02 0.00 -0.34 0.00 0.00 43.02 42.08 1a3h s PHE 61 CO 0.04 -0.06 -0.02 0.50 -1.46 0.00 0.00 175.22 174.22 1a3h s ARG 62 N 0.09 3.49 -0.48 10.12 3.52 -0.33 -0.80 118.95 134.55 1a3h s ARG 62 Ca -0.01 -0.58 -0.19 0.00 -0.13 0.00 0.00 55.73 54.83 1a3h s ARG 62 Cb -0.06 -3.04 0.05 0.00 -1.56 0.00 0.00 34.95 30.34 1a3h s ARG 62 CO -0.00 -0.09 0.58 0.00 -0.81 0.00 0.00 175.30 174.98 1a3h s ALA 63 N 1.24 3.40 -0.85 6.12 0.00 -0.33 -0.84 121.76 130.51 1a3h s ALA 63 Ca 0.03 -1.67 -0.19 0.00 0.00 0.00 0.00 51.96 50.13 1a3h s ALA 63 Cb -0.14 -3.27 0.13 0.00 0.00 0.00 0.00 23.12 19.83 1a3h s ALA 63 CO -0.00 -1.89 1.02 0.00 0.00 0.00 0.00 175.76 174.89 1a3h s ALA 64 N 2.49 3.42 -0.91 0.00 0.00 -1.26 -1.90 121.76 123.60 1a3h s ALA 64 Ca 0.15 -2.65 -0.17 0.00 0.00 0.00 0.00 51.96 49.29 1a3h s ALA 64 Cb -0.19 -3.91 0.17 0.00 0.00 0.00 0.00 23.12 19.19 1a3h s ALA 64 CO 0.13 -2.81 1.01 1.41 0.00 0.00 0.00 175.76 175.50 1a3h s MET 65 N 2.57 3.63 0.44 0.00 1.75 -0.63 -2.34 119.30 124.72 1a3h s MET 65 Ca 0.27 -2.07 -0.25 0.00 -1.25 0.00 0.00 55.69 52.39 1a3h s MET 65 Cb -0.09 -4.74 -0.09 0.00 2.84 0.00 0.00 34.83 32.74 1a3h s MET 65 CO -0.05 -1.59 1.18 0.66 -0.65 0.00 0.00 175.02 174.57 1a3h n TYR 66 N 5.51 1.77 -0.10 4.11 4.02 -1.26 -0.96 117.16 130.24 1a3h n TYR 66 Ca 0.21 0.51 -0.21 0.00 -0.01 0.00 0.00 57.90 58.40 1a3h n TYR 66 Cb 0.48 -2.32 -0.12 0.00 -0.02 0.00 0.00 39.34 37.37 1a3h n TYR 66 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1a3h h THR 67 N 1.79 0.97 -2.72 -0.72 1.35 -1.89 0.13 112.91 111.83 1a3h h THR 67 Ca -0.47 -2.19 0.00 0.00 -0.55 0.00 0.00 66.41 63.20 1a3h h THR 67 Cb 1.31 2.30 0.00 0.00 -1.73 0.00 0.00 68.15 70.04 1a3h h THR 67 CO 0.58 0.34 0.00 -0.24 -0.25 0.00 0.00 175.52 175.95 1a3h n SER 68 N -4.44 0.00 -3.82 5.36 2.88 -1.26 -1.47 113.62 110.87 1a3h n SER 68 Ca -0.31 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 56.95 1a3h n SER 68 Cb 0.67 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 64.17 1a3h n SER 68 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1a3h n SER 69 N 0.00 -5.32 -0.06 -3.46 7.64 -1.26 -0.85 113.62 110.31 1a3h n SER 69 Ca 0.00 -0.70 -0.01 0.00 1.01 0.00 0.00 58.87 59.17 1a3h n SER 69 Cb 0.00 -4.25 -0.00 0.00 -1.01 0.00 0.00 64.21 58.95 1a3h n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a3h n GLY 70 N -1.80 0.47 0.00 0.23 0.00 -1.26 -5.03 105.19 97.81 1a3h n GLY 70 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1a3h n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a3h n GLY 71 N -2.43 0.99 0.36 -0.02 0.00 -0.03 -4.52 105.19 99.54 1a3h n GLY 71 Ca -0.01 -1.49 0.09 0.00 0.00 0.00 0.00 46.02 44.61 1a3h n GLY 71 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1a3h h TYR 72 N 0.00 1.09 -0.53 1.61 3.20 -0.83 -0.49 116.97 121.02 1a3h h TYR 72 Ca 0.00 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 1a3h h TYR 72 Cb 0.00 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 1a3h h TYR 72 CO 0.00 0.40 0.10 0.82 -1.64 0.00 0.00 178.16 177.85 1a3h h ILE 73 N 0.92 1.25 0.03 1.81 1.08 -1.52 -2.32 117.51 118.76 1a3h h ILE 73 Ca 0.50 -0.92 -0.23 0.00 -0.39 0.00 0.00 64.86 63.82 1a3h h ILE 73 Cb 0.58 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1a3h h ILE 73 CO -0.27 0.33 -1.00 0.44 -0.69 0.00 0.00 178.15 176.96 1a3h h ASP 74 N 0.76 0.50 -2.01 1.72 3.32 -1.64 -3.42 116.42 115.65 1a3h h ASP 74 Ca 0.16 -0.42 -0.29 0.00 0.02 0.00 0.00 57.03 56.50 1a3h h ASP 74 Cb 0.38 -0.15 -0.32 0.00 0.22 0.00 0.00 39.33 39.46 1a3h h ASP 74 CO 0.01 1.24 -0.61 -0.62 -1.72 0.00 0.00 179.24 177.54 1a3h s ASP 75 N -7.09 1.28 0.00 6.45 -1.08 -0.23 -5.02 116.67 110.98 1a3h s ASP 75 Ca -0.05 -0.68 0.20 0.00 -0.52 0.00 0.00 52.55 51.50 1a3h s ASP 75 Cb 0.09 0.69 1.02 0.00 -1.46 0.00 0.00 42.92 43.25 1a3h s ASP 75 CO 0.87 -0.37 1.64 -0.81 0.52 0.00 0.00 175.17 177.01 1a3h n PRO 76 N 5.29 0.28 0.32 4.34 -0.04 -0.88 -3.56 135.00 140.74 1a3h n PRO 76 Ca -0.01 0.10 0.20 0.00 -0.04 0.00 0.00 63.50 63.74 1a3h n PRO 76 Cb 0.47 -1.50 1.08 0.00 -0.04 0.00 0.00 33.50 33.51 1a3h n PRO 76 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1a3h h SER 77 N 0.00 0.00 0.10 3.54 4.64 -1.93 -0.34 113.55 119.57 1a3h h SER 77 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a3h h SER 77 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1a3h h SER 77 CO 0.00 0.00 -0.01 1.62 -0.87 0.00 0.00 176.83 177.57 1a3h h VAL 78 N 0.00 0.12 0.00 0.95 3.04 -1.94 -1.30 116.25 117.13 1a3h h VAL 78 Ca 0.01 -0.07 -0.02 0.00 -1.01 0.00 0.00 66.70 65.61 1a3h h VAL 78 Cb 0.09 1.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.43 1a3h h VAL 78 CO -0.00 0.01 -0.07 0.07 -1.01 0.00 0.00 177.57 176.56 1a3h h LYS 79 N 0.00 0.00 0.00 4.17 2.10 -1.36 -1.22 116.57 120.26 1a3h h LYS 79 Ca -0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 1a3h h LYS 79 Cb 0.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.37 1a3h h LYS 79 CO 0.00 0.07 -0.50 0.93 -2.00 0.00 0.00 179.45 177.96 1a3h h GLU 80 N 0.00 0.00 -0.09 0.07 4.39 -1.44 -1.85 114.58 115.66 1a3h h GLU 80 Ca -0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 1a3h h GLU 80 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1a3h h GLU 80 CO 0.01 0.50 -0.66 -0.22 -1.16 0.00 0.00 179.01 177.48 1a3h h LYS 81 N 0.00 0.35 -0.40 2.33 1.63 -1.36 -0.70 116.57 118.42 1a3h h LYS 81 Ca -0.00 -0.26 0.02 0.00 -0.85 0.00 0.00 60.65 59.56 1a3h h LYS 81 Cb 0.95 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.60 1a3h h LYS 81 CO 0.06 0.89 0.21 0.28 -3.45 0.00 0.00 179.45 177.44 1a3h h VAL 82 N 0.25 1.00 -0.98 2.00 2.07 -1.10 -1.47 116.25 118.02 1a3h h VAL 82 Ca -0.02 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1a3h h VAL 82 Cb 1.20 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 1a3h h VAL 82 CO 0.11 0.08 0.64 0.11 0.02 0.00 0.00 177.57 178.53 1a3h h LYS 83 N 0.43 1.23 -0.62 1.57 1.57 -1.09 -0.40 116.57 119.25 1a3h h LYS 83 Ca 0.16 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1a3h h LYS 83 Cb 0.05 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 1a3h h LYS 83 CO -0.10 0.81 0.31 1.49 -0.57 0.00 0.00 179.45 181.39 1a3h h GLU 84 N 1.26 0.89 -0.69 3.15 4.81 -0.78 -0.28 114.58 122.94 1a3h h GLU 84 Ca 0.38 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1a3h h GLU 84 Cb -0.04 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 1a3h h GLU 84 CO -0.11 0.71 0.27 0.00 -0.73 0.00 0.00 179.01 179.15 1a3h h ALA 85 N 1.14 0.90 -0.43 2.92 0.00 -0.53 -1.07 119.26 122.19 1a3h h ALA 85 Ca 0.22 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1a3h h ALA 85 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1a3h h ALA 85 CO -0.03 0.53 0.15 0.28 0.00 0.00 0.00 179.25 180.18 1a3h h VAL 86 N 0.99 1.21 -0.78 0.00 2.07 -0.72 -0.98 116.25 118.04 1a3h h VAL 86 Ca 0.23 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1a3h h VAL 86 Cb 0.22 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1a3h h VAL 86 CO -0.02 0.25 0.30 -0.33 0.02 0.00 0.00 177.57 177.79 1a3h h GLU 87 N 0.56 1.17 -0.52 1.57 5.08 -0.88 -0.45 114.58 121.12 1a3h h GLU 87 Ca 0.14 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1a3h h GLU 87 Cb 0.24 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1a3h h GLU 87 CO -0.01 0.96 0.13 0.00 -1.00 0.00 0.00 179.01 179.09 1a3h h ALA 88 N 1.18 0.68 -0.89 3.43 0.00 -0.97 -0.41 119.26 122.28 1a3h h ALA 88 Ca 0.26 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1a3h h ALA 88 Cb 0.24 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1a3h h ALA 88 CO -0.02 0.37 0.58 0.00 0.00 0.00 0.00 179.25 180.18 1a3h h ALA 89 N 1.00 1.14 -0.48 0.00 0.00 -0.70 0.16 119.26 120.38 1a3h h ALA 89 Ca 0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1a3h h ALA 89 Cb 0.33 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1a3h h ALA 89 CO 0.00 0.49 0.13 0.82 0.00 0.00 0.00 179.25 180.70 1a3h h ILE 90 N 1.17 1.23 0.00 0.00 2.04 -0.76 0.12 117.51 121.31 1a3h h ILE 90 Ca 0.33 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 1a3h h ILE 90 Cb -0.09 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1a3h h ILE 90 CO -0.09 0.29 -0.35 0.44 0.00 0.00 0.00 178.15 178.44 1a3h h ASP 91 N 0.65 0.00 0.07 1.72 3.32 -0.49 -2.77 116.42 118.92 1a3h h ASP 91 Ca 0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1a3h h ASP 91 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1a3h h ASP 91 CO -0.00 0.35 -0.22 0.18 -1.72 0.00 0.00 179.24 177.83 1a3h n LEU 92 N -3.94 1.69 -3.46 1.55 4.77 0.50 -4.97 117.00 113.15 1a3h n LEU 92 Ca -0.02 -0.56 -0.21 0.00 -0.03 0.00 0.00 56.01 55.20 1a3h n LEU 92 Cb 0.41 -0.04 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 1a3h n LEU 92 CO 0.37 0.30 0.19 -0.67 -1.33 0.00 0.00 177.39 176.26 1a3h n ASP 93 N -0.00 -4.62 -4.45 -1.43 2.03 -0.08 -4.61 116.55 103.39 1a3h n ASP 93 Ca 0.13 -0.56 -0.22 0.00 0.52 0.00 0.00 54.79 54.66 1a3h n ASP 93 Cb 0.42 -4.95 -0.10 0.00 -0.72 0.00 0.00 41.12 35.77 1a3h n ASP 93 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1a3h s ILE 94 N -3.33 1.66 0.57 5.18 -4.36 -0.57 -1.99 121.20 118.36 1a3h s ILE 94 Ca 0.35 -2.11 -0.11 0.00 -0.26 0.00 0.00 60.65 58.52 1a3h s ILE 94 Cb -0.15 -2.55 -0.05 0.00 1.25 0.00 0.00 42.46 40.95 1a3h s ILE 94 CO 0.71 -0.23 0.97 -0.31 0.24 0.00 0.00 174.94 176.32 1a3h s TYR 95 N -3.00 3.58 -0.05 1.37 2.02 -0.59 -4.43 117.35 116.25 1a3h s TYR 95 Ca 0.31 1.24 -0.04 0.00 -0.37 0.00 0.00 57.07 58.21 1a3h s TYR 95 Cb 0.05 -2.65 0.02 0.00 -0.40 0.00 0.00 41.96 38.97 1a3h s TYR 95 CO 0.13 -0.53 0.12 0.54 -1.57 0.00 0.00 175.55 174.25 1a3h s VAL 96 N -2.96 -0.02 -0.21 0.71 0.11 -0.14 -1.66 120.40 116.24 1a3h s VAL 96 Ca 0.54 0.06 -0.06 0.00 -2.93 0.00 0.00 61.98 59.59 1a3h s VAL 96 Cb -0.11 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1a3h s VAL 96 CO 0.47 0.02 0.03 -0.63 -3.33 0.00 0.00 175.10 171.66 1a3h s ILE 97 N 0.42 4.21 -0.52 7.04 1.01 0.02 -0.81 121.20 132.56 1a3h s ILE 97 Ca -0.03 -0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.20 1a3h s ILE 97 Cb -0.04 -2.92 0.06 0.00 0.01 0.00 0.00 42.46 39.57 1a3h s ILE 97 CO -0.02 0.42 0.68 -0.63 0.00 0.00 0.00 174.94 175.39 1a3h s ILE 98 N 0.98 4.79 -0.35 2.92 1.01 -0.21 -1.18 121.20 129.16 1a3h s ILE 98 Ca 0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 1a3h s ILE 98 Cb -0.14 -4.36 0.02 0.00 0.01 0.00 0.00 42.46 37.99 1a3h s ILE 98 CO 0.02 -0.89 0.18 -0.62 0.00 0.00 0.00 174.94 173.63 1a3h s ASP 99 N 2.81 5.62 -0.83 3.58 2.15 -0.80 -0.47 116.67 128.74 1a3h s ASP 99 Ca 0.17 -0.85 -0.25 0.00 0.43 0.00 0.00 52.55 52.05 1a3h s ASP 99 Cb -0.19 -2.00 0.02 0.00 -0.30 0.00 0.00 42.92 40.46 1a3h s ASP 99 CO 0.12 -0.31 1.48 0.86 -0.17 0.00 0.00 175.17 177.15 1a3h s TRP 100 N 1.56 2.23 -1.21 -5.34 -0.11 -0.34 -1.61 118.94 114.12 1a3h s TRP 100 Ca 0.03 -0.13 -0.10 0.00 1.22 0.00 0.00 56.10 57.12 1a3h s TRP 100 Cb -0.18 -4.52 0.20 0.00 -1.50 0.00 0.00 33.47 27.46 1a3h s TRP 100 CO 0.06 -2.03 1.59 1.58 -4.62 0.00 0.00 176.95 173.53 1a3h n HIS 101 N 10.12 3.84 -2.18 5.86 -0.00 -0.14 -1.66 115.22 131.06 1a3h n HIS 101 Ca 0.19 -3.09 -0.34 0.00 0.46 0.00 0.00 57.72 54.94 1a3h n HIS 101 Cb 0.50 -1.93 0.01 0.00 -0.12 0.00 0.00 29.99 28.45 1a3h n HIS 101 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1a3h s ILE 102 N 0.25 3.38 0.00 3.57 -4.36 -1.26 -3.10 121.20 119.68 1a3h s ILE 102 Ca 0.39 0.79 0.00 0.00 -0.26 0.00 0.00 60.65 61.56 1a3h s ILE 102 Cb 0.02 -3.29 0.00 0.00 1.25 0.00 0.00 42.46 40.44 1a3h s ILE 102 CO 0.01 -0.26 0.00 -0.11 0.24 0.00 0.00 174.94 174.82 1a3h n LEU 103 N -1.56 0.00 0.17 0.37 7.94 -1.26 -3.17 117.00 119.49 1a3h n LEU 103 Ca 0.11 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 55.03 1a3h n LEU 103 Cb 0.52 0.07 0.36 0.00 0.53 0.00 0.00 43.42 44.89 1a3h n LEU 103 CO 0.43 -0.07 0.75 0.77 -1.11 0.00 0.00 177.39 178.17 1a3h h SER 104 N 0.00 0.06 -1.08 1.96 4.64 -1.92 -3.08 113.55 114.12 1a3h h SER 104 Ca 0.00 -0.02 -0.70 0.00 -0.47 0.00 0.00 61.79 60.60 1a3h h SER 104 Cb 0.00 -0.02 -0.10 0.00 -0.31 0.00 0.00 62.40 61.97 1a3h h SER 104 CO 0.00 0.39 2.11 -0.90 -0.87 0.00 0.00 176.83 177.56 1a3h n ASP 105 N -4.13 4.90 0.24 4.97 5.75 -1.26 -4.82 116.55 122.20 1a3h n ASP 105 Ca -0.02 -2.93 0.13 0.00 -0.01 0.00 0.00 54.79 51.97 1a3h n ASP 105 Cb 0.38 -1.69 0.43 0.00 -1.03 0.00 0.00 41.12 39.22 1a3h n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1a3h h ASN 106 N 7.24 0.00 -3.53 -1.12 -1.07 -1.84 -3.40 115.58 111.87 1a3h h ASN 106 Ca 0.43 0.00 -0.63 0.00 0.07 0.00 0.00 56.30 56.17 1a3h h ASN 106 Cb 0.84 0.00 -0.19 0.00 -2.07 0.00 0.00 38.32 36.90 1a3h h ASN 106 CO 1.46 0.07 -0.58 -0.62 0.07 0.00 0.00 177.43 177.83 1a3h s ASP 107 N -5.99 5.52 0.63 6.14 -1.08 -1.26 -1.63 116.67 118.99 1a3h s ASP 107 Ca 0.03 -0.04 0.42 0.00 -0.52 0.00 0.00 52.55 52.44 1a3h s ASP 107 Cb 0.08 -1.98 2.18 0.00 -1.46 0.00 0.00 42.92 41.74 1a3h s ASP 107 CO 0.61 0.06 2.27 1.55 0.52 0.00 0.00 175.17 180.19 1a3h h PRO 108 N 7.56 0.00 0.00 4.34 0.13 -1.91 -2.03 132.00 140.08 1a3h h PRO 108 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1a3h h PRO 108 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1a3h h PRO 108 CO 0.63 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.49 1a3h h ASN 109 N 0.00 0.00 -0.39 1.44 2.35 -1.94 -3.21 115.58 113.83 1a3h h ASN 109 Ca 0.00 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1a3h h ASN 109 Cb 0.11 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 1a3h h ASN 109 CO 0.00 0.00 0.12 0.40 -1.65 0.00 0.00 177.43 176.30 1a3h h ILE 110 N 0.00 0.85 -0.67 2.81 2.04 -1.73 -2.85 117.51 117.97 1a3h h ILE 110 Ca 0.00 -0.09 -0.47 0.00 1.00 0.00 0.00 64.86 65.30 1a3h h ILE 110 Cb 0.39 0.56 -0.32 0.00 -0.74 0.00 0.00 36.82 36.71 1a3h h ILE 110 CO 0.00 0.05 -0.42 -1.22 0.00 0.00 0.00 178.15 176.56 1a3h n TYR 111 N -5.04 2.34 -0.11 1.37 4.01 -1.24 -4.80 117.16 113.70 1a3h n TYR 111 Ca 0.02 -2.20 -0.02 0.00 -0.16 0.00 0.00 57.90 55.54 1a3h n TYR 111 Cb 0.16 -0.53 0.21 0.00 -0.31 0.00 0.00 39.34 38.86 1a3h n TYR 111 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1a3h h LYS 112 N 1.88 0.79 -0.54 -0.72 2.10 -1.50 0.90 116.57 119.48 1a3h h LYS 112 Ca 0.35 -0.16 -0.06 0.00 -2.00 0.00 0.00 60.65 58.79 1a3h h LYS 112 Cb 1.39 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.58 1a3h h LYS 112 CO 0.77 0.72 0.10 0.93 -2.00 0.00 0.00 179.45 179.97 1a3h h GLU 113 N 0.76 0.88 -0.42 0.07 4.39 -1.87 -0.34 114.58 118.06 1a3h h GLU 113 Ca 0.17 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 1a3h h GLU 113 Cb 0.29 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 1a3h h GLU 113 CO -0.00 0.85 -0.12 0.93 -1.16 0.00 0.00 179.01 179.51 1a3h h GLU 114 N 0.77 0.75 -0.54 2.33 3.07 -1.81 -2.06 114.58 117.09 1a3h h GLU 114 Ca 0.16 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1a3h h GLU 114 Cb 0.39 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 1a3h h GLU 114 CO 0.01 0.83 0.27 0.00 -1.40 0.00 0.00 179.01 178.72 1a3h h ALA 115 N 1.19 0.69 -0.43 3.43 0.00 -0.42 -0.05 119.26 123.66 1a3h h ALA 115 Ca 0.11 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a3h h ALA 115 Cb 0.58 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1a3h h ALA 115 CO 0.04 0.25 0.28 0.87 0.00 0.00 0.00 179.25 180.68 1a3h h LYS 116 N 0.72 0.58 -0.59 0.00 1.57 -0.88 0.12 116.57 118.09 1a3h h LYS 116 Ca 0.19 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1a3h h LYS 116 Cb 0.10 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1a3h h LYS 116 CO -0.03 0.40 0.13 -0.44 -0.57 0.00 0.00 179.45 178.95 1a3h h ASP 117 N 0.58 0.90 -0.25 0.86 3.32 -1.13 -0.30 116.42 120.41 1a3h h ASP 117 Ca 0.16 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1a3h h ASP 117 Cb -0.04 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1a3h h ASP 117 CO -0.03 0.91 0.11 0.15 -1.72 0.00 0.00 179.24 178.66 1a3h h PHE 118 N 0.86 0.37 0.00 4.55 3.57 -0.74 -1.71 116.94 123.84 1a3h h PHE 118 Ca 0.18 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 1a3h h PHE 118 Cb 0.37 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1a3h h PHE 118 CO 0.03 0.37 -0.36 0.74 -2.23 0.00 0.00 178.31 176.86 1a3h h PHE 119 N 0.26 0.00 -0.10 0.41 0.04 -0.69 -0.65 116.94 116.21 1a3h h PHE 119 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1a3h h PHE 119 Cb 0.15 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 1a3h h PHE 119 CO -0.01 0.36 0.04 0.22 -0.60 0.00 0.00 178.31 178.31 1a3h h ASP 120 N 0.00 0.14 -0.22 2.17 3.58 -0.90 -0.59 116.42 120.59 1a3h h ASP 120 Ca -0.00 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.29 1a3h h ASP 120 Cb 0.85 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 1a3h h ASP 120 CO 0.05 0.26 0.14 -0.08 -2.88 0.00 0.00 179.24 176.72 1a3h h GLU 121 N 0.01 0.28 -0.48 0.28 4.81 -0.92 -0.54 114.58 118.02 1a3h h GLU 121 Ca 0.03 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 1a3h h GLU 121 Cb 0.16 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1a3h h GLU 121 CO -0.00 0.18 -0.18 0.52 -0.73 0.00 0.00 179.01 178.80 1a3h h MET 122 N 0.29 0.97 0.00 1.92 2.86 -1.09 -1.33 114.93 118.54 1a3h h MET 122 Ca 0.08 -0.40 -0.11 0.00 -2.06 0.00 0.00 59.70 57.21 1a3h h MET 122 Cb -0.02 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1a3h h MET 122 CO -0.03 1.07 -0.54 0.66 1.06 0.00 0.00 176.91 179.13 1a3h h SER 123 N 0.82 0.00 -0.50 1.22 4.64 -1.01 -0.68 113.55 118.03 1a3h h SER 123 Ca 0.11 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 1a3h h SER 123 Cb 0.75 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 1a3h h SER 123 CO 0.06 0.54 -0.01 -0.08 -0.87 0.00 0.00 176.83 176.47 1a3h h GLU 124 N 0.00 0.90 -0.18 4.77 4.81 -0.84 0.50 114.58 124.54 1a3h h GLU 124 Ca -0.01 -0.29 -0.11 0.00 -0.13 0.00 0.00 59.36 58.82 1a3h h GLU 124 Cb 0.98 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.28 1a3h h GLU 124 CO 0.07 0.93 -0.33 -0.07 -0.73 0.00 0.00 179.01 178.88 1a3h h LEU 125 N 0.76 0.60 -2.18 1.64 3.38 -1.01 -3.38 115.31 115.12 1a3h h LEU 125 Ca 0.14 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1a3h h LEU 125 Cb 0.53 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1a3h h LEU 125 CO 0.03 1.03 0.00 -1.22 0.09 0.00 0.00 178.44 178.37 1a3h n TYR 126 N -4.33 0.07 0.31 1.13 4.01 -0.28 -4.74 117.16 113.33 1a3h n TYR 126 Ca -0.06 -0.29 0.04 0.00 -0.16 0.00 0.00 57.90 57.43 1a3h n TYR 126 Cb 0.49 -0.03 0.18 0.00 -0.31 0.00 0.00 39.34 39.68 1a3h n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a3h n GLY 127 N -0.07 -0.69 1.19 2.72 0.00 0.17 -1.77 105.19 106.74 1a3h n GLY 127 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1a3h n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a3h n ASP 128 N -1.42 3.20 -4.42 1.61 2.03 -1.26 -4.64 116.55 111.65 1a3h n ASP 128 Ca 0.03 -3.46 -0.32 0.00 0.52 0.00 0.00 54.79 51.55 1a3h n ASP 128 Cb 0.08 -0.63 -0.14 0.00 -0.72 0.00 0.00 41.12 39.72 1a3h n ASP 128 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1a3h s TYR 129 N -3.09 2.55 -1.20 -0.67 2.02 -0.73 -5.03 117.35 111.20 1a3h s TYR 129 Ca 0.45 -0.27 0.30 0.00 -0.37 0.00 0.00 57.07 57.18 1a3h s TYR 129 Cb 0.39 -1.56 1.37 0.00 -0.40 0.00 0.00 41.96 41.76 1a3h s TYR 129 CO 0.05 0.12 1.99 -0.35 -1.57 0.00 0.00 175.55 175.78 1a3h n PRO 130 N 2.26 0.20 0.18 -1.71 -0.04 -1.26 -3.93 135.00 130.70 1a3h n PRO 130 Ca -0.17 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.34 1a3h n PRO 130 Cb 0.52 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.77 1a3h n PRO 130 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1a3h h ASN 131 N 0.00 0.00 -3.49 3.54 4.21 -1.89 -3.43 115.58 114.52 1a3h h ASN 131 Ca 0.00 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.98 1a3h h ASN 131 Cb 0.40 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.57 1a3h h ASN 131 CO 0.00 0.41 0.24 -0.69 -1.29 0.00 0.00 177.43 176.10 1a3h s VAL 132 N -3.54 4.62 -0.10 2.81 1.01 -1.25 -0.96 120.40 122.99 1a3h s VAL 132 Ca 0.00 1.81 0.02 0.00 0.00 0.00 0.00 61.98 63.81 1a3h s VAL 132 Cb 0.11 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.30 1a3h s VAL 132 CO 0.70 0.35 -0.16 -0.63 0.00 0.00 0.00 175.10 175.36 1a3h s ILE 133 N -0.07 1.49 -0.22 2.22 1.01 0.01 -4.23 121.20 121.40 1a3h s ILE 133 Ca 0.42 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 1a3h s ILE 133 Cb -0.22 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 40.85 1a3h s ILE 133 CO 0.26 0.44 0.15 -0.31 0.00 0.00 0.00 174.94 175.47 1a3h s TYR 134 N 0.85 3.36 -0.37 3.97 2.02 -0.47 -1.05 117.35 125.67 1a3h s TYR 134 Ca -0.09 0.28 -0.01 0.00 -0.37 0.00 0.00 57.07 56.88 1a3h s TYR 134 Cb -0.15 -2.22 0.10 0.00 -0.40 0.00 0.00 41.96 39.28 1a3h s TYR 134 CO 0.01 0.17 0.13 -2.00 -1.57 0.00 0.00 175.55 172.29 1a3h s GLU 135 N 0.72 1.94 0.02 -0.62 2.12 0.38 -0.11 118.70 123.15 1a3h s GLU 135 Ca 0.08 -1.74 0.28 0.00 0.36 0.00 0.00 54.97 53.95 1a3h s GLU 135 Cb -0.12 -3.41 1.02 0.00 0.26 0.00 0.00 34.13 31.87 1a3h s GLU 135 CO 0.01 -0.96 1.79 0.44 -0.54 0.00 0.00 175.26 176.00 1a3h n ILE 136 N 4.51 0.06 -3.09 -3.70 -5.35 -0.92 -1.20 119.36 109.68 1a3h n ILE 136 Ca -0.03 -0.03 0.02 0.00 -0.27 0.00 0.00 62.75 62.44 1a3h n ILE 136 Cb 0.42 -0.34 -0.00 0.00 -1.74 0.00 0.00 39.64 37.98 1a3h n ILE 136 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1a3h s ALA 137 N -3.01 -2.96 0.00 -1.28 0.00 -1.25 -4.72 121.76 108.53 1a3h s ALA 137 Ca 0.13 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1a3h s ALA 137 Cb 0.18 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1a3h s ALA 137 CO 0.58 -2.25 0.80 -1.71 0.00 0.00 0.00 175.76 173.18 1a3h n ASN 138 N 4.34 0.00 -3.39 0.00 5.15 -0.66 -3.19 115.26 117.51 1a3h n ASN 138 Ca 0.09 0.80 -0.27 0.00 -0.60 0.00 0.00 54.58 54.61 1a3h n ASN 138 Cb 0.58 -0.36 -0.10 0.00 -0.53 0.00 0.00 39.78 39.38 1a3h n ASN 138 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1a3h n GLU 139 N -2.52 0.44 -1.60 1.20 1.02 -1.19 -4.63 120.64 113.37 1a3h n GLU 139 Ca 0.00 -3.30 -0.45 0.00 -0.02 0.00 0.00 57.16 53.38 1a3h n GLU 139 Cb 0.00 -1.64 -0.02 0.00 -0.02 0.00 0.00 31.44 29.76 1a3h n GLU 139 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1a3h n PRO 140 N 2.47 1.39 -3.66 3.49 -0.02 -1.26 -4.49 135.00 132.92 1a3h n PRO 140 Ca 0.28 0.49 -0.10 0.00 -2.02 0.00 0.00 63.50 62.14 1a3h n PRO 140 Cb 0.48 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 32.01 1a3h n PRO 140 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a3h s ASN 141 N -0.37 -0.28 0.00 2.55 2.20 -0.65 -0.59 114.94 117.80 1a3h s ASN 141 Ca 0.62 -0.37 0.00 0.00 -0.94 0.00 0.00 52.86 52.17 1a3h s ASN 141 Cb -0.72 0.54 0.00 0.00 -2.00 0.00 0.00 41.25 39.07 1a3h s ASN 141 CO 0.58 -0.97 0.00 0.61 -2.94 0.00 0.00 177.10 174.38 1a3h n GLY 142 N -0.30 2.80 0.27 0.45 0.00 -1.26 -4.52 105.19 102.63 1a3h n GLY 142 Ca -0.13 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.34 1a3h n GLY 142 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a3h h SER 143 N 0.00 0.00 -0.10 1.61 0.02 -2.01 -2.19 113.55 110.88 1a3h h SER 143 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1a3h h SER 143 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1a3h h SER 143 CO 0.00 0.10 0.00 -0.90 -1.14 0.00 0.00 176.83 174.89 1a3h n ASP 144 N -3.71 1.26 -4.01 3.07 5.75 -1.26 -4.68 116.55 112.97 1a3h n ASP 144 Ca -0.02 -1.59 -0.31 0.00 -0.01 0.00 0.00 54.79 52.86 1a3h n ASP 144 Cb 0.21 -0.06 -0.15 0.00 -1.03 0.00 0.00 41.12 40.09 1a3h n ASP 144 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1a3h s VAL 145 N -1.87 2.10 0.27 2.12 1.01 -0.82 -4.94 120.40 118.26 1a3h s VAL 145 Ca 0.33 -2.00 0.10 0.00 0.00 0.00 0.00 61.98 60.42 1a3h s VAL 145 Cb 0.17 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1a3h s VAL 145 CO 0.27 -0.40 -0.08 0.42 0.00 0.00 0.00 175.10 175.31 1a3h s THR 146 N 1.04 3.11 0.13 3.92 -4.23 -1.26 -4.70 115.64 113.64 1a3h s THR 146 Ca 0.04 -2.07 -0.27 0.00 -1.18 0.00 0.00 61.69 58.20 1a3h s THR 146 Cb -0.19 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 1a3h s THR 146 CO -0.08 -0.37 1.61 -0.25 -0.54 0.00 0.00 174.62 174.98 1a3h h TRP 147 N 2.06 -0.94 -0.41 3.99 2.91 -1.96 -0.03 115.95 121.57 1a3h h TRP 147 Ca -0.43 0.03 -0.12 0.00 1.13 0.00 0.00 58.89 59.51 1a3h h TRP 147 Cb 1.25 0.42 -0.01 0.00 -0.51 0.00 0.00 29.16 30.31 1a3h h TRP 147 CO 0.73 -0.42 -0.22 0.78 -1.03 0.00 0.00 178.44 178.27 1a3h h GLY 148 N -0.46 0.89 0.60 2.65 0.00 -1.96 0.22 103.07 105.01 1a3h h GLY 148 Ca 0.07 -0.77 -0.32 0.00 0.00 0.00 0.00 47.33 46.31 1a3h h GLY 148 CO -0.31 0.70 -1.97 0.70 0.00 0.00 0.00 176.54 175.65 1a3h n ASN 149 N -4.11 0.56 0.00 0.19 3.02 -1.21 -4.59 115.26 109.13 1a3h n ASN 149 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1a3h n ASN 149 Cb 0.44 0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.94 1a3h n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a3h n GLN 150 N -2.94 0.00 -0.05 3.52 3.00 -0.16 -4.78 117.38 115.98 1a3h n GLN 150 Ca -0.23 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.62 1a3h n GLN 150 Cb 1.09 -0.58 -0.12 0.00 0.00 0.00 0.00 30.24 30.63 1a3h n GLN 150 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1a3h h ILE 151 N 0.00 1.66 -0.25 5.09 2.04 -1.00 -2.66 117.51 122.38 1a3h h ILE 151 Ca 0.00 -2.03 0.00 0.00 1.00 0.00 0.00 64.86 63.83 1a3h h ILE 151 Cb 0.95 3.02 -0.01 0.00 -0.74 0.00 0.00 36.82 40.04 1a3h h ILE 151 CO 0.00 0.53 0.16 0.50 0.00 0.00 0.00 178.15 179.35 1a3h h LYS 152 N -0.78 0.32 -0.71 2.37 3.64 -0.81 -0.68 116.57 119.91 1a3h h LYS 152 Ca -0.01 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1a3h h LYS 152 Cb 0.91 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 1a3h h LYS 152 CO 0.01 0.21 0.34 -1.35 -2.27 0.00 0.00 179.45 176.40 1a3h h PRO 153 N 0.33 1.01 -0.34 1.90 0.11 -1.77 -0.11 132.00 133.13 1a3h h PRO 153 Ca 0.09 -0.13 0.02 0.00 0.11 0.00 0.00 66.00 66.09 1a3h h PRO 153 Cb -0.03 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 30.86 1a3h h PRO 153 CO -0.02 0.77 0.18 -0.92 -0.21 0.00 0.00 178.00 177.80 1a3h h TYR 154 N 1.00 0.34 -0.81 0.65 3.20 -1.09 -2.24 116.97 118.03 1a3h h TYR 154 Ca 0.25 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 1a3h h TYR 154 Cb 0.10 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.22 1a3h h TYR 154 CO 0.01 0.19 0.46 0.00 -1.64 0.00 0.00 178.16 177.19 1a3h h ALA 155 N 1.16 1.29 0.00 1.82 0.00 -0.41 -1.14 119.26 121.98 1a3h h ALA 155 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1a3h h ALA 155 Cb 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1a3h h ALA 155 CO -0.08 0.59 0.00 0.39 0.00 0.00 0.00 179.25 180.15 1a3h n GLU 156 N -4.36 0.07 -0.06 0.00 1.02 -0.12 -0.58 120.64 116.62 1a3h n GLU 156 Ca 0.09 0.28 -0.18 0.00 -0.02 0.00 0.00 57.16 57.33 1a3h n GLU 156 Cb 0.08 -1.63 -0.13 0.00 -0.02 0.00 0.00 31.44 29.74 1a3h n GLU 156 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1a3h n GLU 157 N -1.76 0.70 0.11 3.49 1.02 -0.54 -4.51 120.64 119.15 1a3h n GLU 157 Ca 0.03 0.20 -0.20 0.00 -0.02 0.00 0.00 57.16 57.18 1a3h n GLU 157 Cb 0.21 -1.63 -0.15 0.00 -0.02 0.00 0.00 31.44 29.86 1a3h n GLU 157 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1a3h h VAL 158 N 0.03 1.34 -0.75 2.62 2.07 -0.99 -3.36 116.25 117.22 1a3h h VAL 158 Ca -0.48 -2.87 0.02 0.00 0.82 0.00 0.00 66.70 64.19 1a3h h VAL 158 Cb 2.00 2.95 -0.04 0.00 -1.52 0.00 0.00 31.29 34.68 1a3h h VAL 158 CO 0.01 0.85 0.49 0.40 0.02 0.00 0.00 177.57 179.34 1a3h h ILE 159 N 0.10 1.14 -0.83 4.57 2.04 -1.09 -2.03 117.51 121.42 1a3h h ILE 159 Ca -0.21 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.35 1a3h h ILE 159 Cb 2.06 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.19 1a3h h ILE 159 CO 0.22 0.18 0.55 -0.65 0.00 0.00 0.00 178.15 178.45 1a3h h PRO 160 N 0.97 1.03 -0.14 2.37 0.11 -1.79 0.23 132.00 134.77 1a3h h PRO 160 Ca 0.29 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.35 1a3h h PRO 160 Cb -0.04 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.82 1a3h h PRO 160 CO -0.09 0.68 0.05 0.82 -0.21 0.00 0.00 178.00 179.25 1a3h h ILE 161 N 1.06 0.97 -0.46 4.15 1.08 -1.52 -1.29 117.51 121.51 1a3h h ILE 161 Ca 0.32 -0.04 -0.03 0.00 -0.39 0.00 0.00 64.86 64.72 1a3h h ILE 161 Cb -0.02 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 1a3h h ILE 161 CO -0.09 0.02 0.16 0.40 -0.69 0.00 0.00 178.15 177.95 1a3h h ILE 162 N 0.12 1.22 0.00 -0.67 2.04 -0.99 -3.12 117.51 116.11 1a3h h ILE 162 Ca 0.06 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.18 1a3h h ILE 162 Cb 0.03 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1a3h h ILE 162 CO -0.06 0.26 -0.12 0.03 0.00 0.00 0.00 178.15 178.26 1a3h h ARG 163 N 0.61 0.00 0.00 2.37 2.47 -0.72 0.11 114.38 119.22 1a3h h ARG 163 Ca 0.15 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.84 1a3h h ARG 163 Cb 0.24 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.56 1a3h h ARG 163 CO -0.01 0.12 -0.15 -0.97 0.56 0.00 0.00 179.97 179.52 1a3h h ASN 164 N 0.00 0.00 0.00 7.04 -1.24 -1.17 -3.22 115.58 116.99 1a3h h ASN 164 Ca -0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.96 1a3h h ASN 164 Cb 0.50 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.54 1a3h h ASN 164 CO 0.02 0.15 -1.64 0.59 -1.29 0.00 0.00 177.43 175.25 1a3h n ASN 165 N -3.38 2.02 -3.32 1.15 3.02 -0.35 -4.93 115.26 109.47 1a3h n ASN 165 Ca -0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.43 1a3h n ASN 165 Cb 0.35 1.44 -0.06 0.00 -0.61 0.00 0.00 39.78 40.89 1a3h n ASN 165 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1a3h s ASP 166 N -3.70 0.56 0.42 6.41 -1.08 0.24 -4.69 116.67 114.83 1a3h s ASP 166 Ca -0.05 -0.86 0.29 0.00 -0.52 0.00 0.00 52.55 51.41 1a3h s ASP 166 Cb 0.07 0.96 1.18 0.00 -1.46 0.00 0.00 42.92 43.68 1a3h s ASP 166 CO 0.53 -0.31 1.86 1.55 0.52 0.00 0.00 175.17 179.33 1a3h h PRO 167 N 7.68 0.00 0.00 4.34 0.13 -1.80 -3.34 132.00 139.01 1a3h h PRO 167 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1a3h h PRO 167 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1a3h h PRO 167 CO 0.23 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.27 1a3h n ASN 168 N -2.70 0.00 -4.72 1.44 2.04 -1.26 -4.96 115.26 105.10 1a3h n ASN 168 Ca 0.01 -1.00 -0.33 0.00 -0.44 0.00 0.00 54.58 52.83 1a3h n ASN 168 Cb 0.28 0.00 0.11 0.00 -2.53 0.00 0.00 39.78 37.64 1a3h n ASN 168 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 1a3h s ASN 169 N 0.00 3.92 0.31 0.53 0.01 -1.26 -4.88 114.94 113.57 1a3h s ASN 169 Ca 0.00 2.21 -0.29 0.00 -0.71 0.00 0.00 52.86 54.07 1a3h s ASN 169 Cb 0.00 -2.57 -0.10 0.00 0.41 0.00 0.00 41.25 38.99 1a3h s ASN 169 CO 0.00 -2.44 1.23 -0.63 -1.51 0.00 0.00 177.10 173.76 1a3h s ILE 170 N -2.34 3.00 -0.16 0.60 -1.09 -1.26 -4.91 121.20 115.04 1a3h s ILE 170 Ca 0.70 1.00 0.01 0.00 -2.23 0.00 0.00 60.65 60.13 1a3h s ILE 170 Cb -0.25 -3.64 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 1a3h s ILE 170 CO 0.50 0.24 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.62 1a3h s ILE 171 N -1.11 2.12 -0.21 2.92 1.01 -0.83 -1.36 121.20 123.74 1a3h s ILE 171 Ca 0.48 -0.94 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 1a3h s ILE 171 Cb -0.37 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 1a3h s ILE 171 CO 0.48 0.54 0.28 -0.63 0.00 0.00 0.00 174.94 175.61 1a3h s ILE 172 N 1.08 5.29 -0.16 2.92 1.01 0.84 -1.18 121.20 131.00 1a3h s ILE 172 Ca -0.00 0.46 -0.01 0.00 0.00 0.00 0.00 60.65 61.10 1a3h s ILE 172 Cb -0.14 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 1a3h s ILE 172 CO -0.08 0.32 -0.12 -0.69 0.00 0.00 0.00 174.94 174.37 1a3h s VAL 173 N 1.00 2.91 0.79 2.92 1.01 0.21 -2.16 120.40 127.08 1a3h s VAL 173 Ca 0.14 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 1a3h s VAL 173 Cb -0.14 -2.25 0.07 0.00 0.00 0.00 0.00 36.38 34.07 1a3h s VAL 173 CO 0.05 0.50 1.15 -0.83 0.00 0.00 0.00 175.10 175.98 1a3h s GLY 174 N 0.83 1.98 0.41 4.51 0.00 -1.19 -1.11 107.32 112.75 1a3h s GLY 174 Ca -0.04 0.63 0.07 0.00 0.00 0.00 0.00 44.72 45.38 1a3h s GLY 174 CO 0.00 1.02 0.01 -0.51 0.00 0.00 0.00 173.10 173.62 1a3h s THR 175 N -2.42 2.03 1.07 0.90 -4.23 -1.26 -4.79 115.64 106.93 1a3h s THR 175 Ca 0.68 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 59.06 1a3h s THR 175 Cb -0.24 -2.97 0.23 0.00 1.34 0.00 0.00 72.50 70.86 1a3h s THR 175 CO 0.51 -0.02 1.06 -0.83 -0.54 0.00 0.00 174.62 174.81 1a3h s GLY 176 N -3.71 1.56 -1.24 3.99 0.00 -1.26 -1.22 107.32 105.45 1a3h s GLY 176 Ca 0.35 -0.20 -0.05 0.00 0.00 0.00 0.00 44.72 44.82 1a3h s GLY 176 CO 0.18 0.44 0.75 2.41 0.00 0.00 0.00 173.10 176.88 1a3h n THR 177 N -4.51 -5.35 -3.39 0.90 -1.04 -1.21 -1.18 114.28 98.49 1a3h n THR 177 Ca 0.04 -0.70 -0.18 0.00 -2.04 0.00 0.00 64.05 61.18 1a3h n THR 177 Cb 0.56 -4.25 0.08 0.00 -1.82 0.00 0.00 70.33 64.90 1a3h n THR 177 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1a3h n TRP 178 N -4.12 -2.26 -3.78 -1.42 8.01 0.24 -2.82 117.44 111.28 1a3h n TRP 178 Ca -0.23 0.90 -0.26 0.00 -1.31 0.00 0.00 57.50 56.60 1a3h n TRP 178 Cb 0.65 -4.82 0.04 0.00 -2.01 0.00 0.00 31.31 25.17 1a3h n TRP 178 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1a3h n SER 179 N -2.87 -3.49 -0.01 -0.99 7.64 -0.36 -4.55 113.62 109.00 1a3h n SER 179 Ca -0.17 -0.76 0.02 0.00 1.01 0.00 0.00 58.87 58.98 1a3h n SER 179 Cb 0.62 -4.14 -0.06 0.00 -1.01 0.00 0.00 64.21 59.62 1a3h n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a3h n GLN 180 N -4.54 0.80 -1.99 1.43 6.02 -0.60 -0.72 117.38 117.78 1a3h n GLN 180 Ca -0.11 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.41 1a3h n GLN 180 Cb 0.59 -1.20 -0.00 0.00 1.02 0.00 0.00 30.24 30.65 1a3h n GLN 180 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1a3h n ASP 181 N -1.90 6.46 0.25 1.08 2.03 -0.33 -4.59 116.55 119.54 1a3h n ASP 181 Ca -0.04 -3.01 0.14 0.00 0.52 0.00 0.00 54.79 52.41 1a3h n ASP 181 Cb 0.33 -1.47 0.44 0.00 -0.72 0.00 0.00 41.12 39.70 1a3h n ASP 181 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1a3h h VAL 182 N 3.28 0.06 -0.16 5.18 -1.51 -1.87 -3.25 116.25 117.99 1a3h h VAL 182 Ca 0.59 -0.80 -0.00 0.00 -1.23 0.00 0.00 66.70 65.25 1a3h h VAL 182 Cb 0.47 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 1a3h h VAL 182 CO 1.64 0.03 0.08 -0.74 -1.23 0.00 0.00 177.57 177.34 1a3h h HIS 183 N 0.00 0.22 -0.69 5.19 -0.00 -1.83 -0.21 115.15 117.84 1a3h h HIS 183 Ca -0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.28 1a3h h HIS 183 Cb 0.75 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.07 1a3h h HIS 183 CO 0.00 0.25 0.12 0.45 -0.00 0.00 0.00 177.93 178.75 1a3h h HIS 184 N 0.13 1.20 -0.70 5.26 3.86 -1.96 -2.47 115.15 120.46 1a3h h HIS 184 Ca 0.05 -0.16 -0.07 0.00 -1.16 0.00 0.00 60.37 59.04 1a3h h HIS 184 Cb 0.10 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 1a3h h HIS 184 CO -0.03 0.99 0.18 0.00 0.86 0.00 0.00 177.93 179.93 1a3h h ALA 185 N 1.06 0.98 0.00 2.45 0.00 -1.56 -2.83 119.26 119.36 1a3h h ALA 185 Ca 0.21 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1a3h h ALA 185 Cb 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1a3h h ALA 185 CO 0.01 0.66 -0.20 0.00 0.00 0.00 0.00 179.25 179.72 1a3h h ALA 186 N 1.12 1.17 -0.00 0.00 0.00 -0.71 -1.39 119.26 119.45 1a3h h ALA 186 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a3h h ALA 186 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1a3h h ALA 186 CO 0.00 0.25 -0.14 -0.25 0.00 0.00 0.00 179.25 179.11 1a3h n ASP 187 N -3.58 0.45 -2.94 0.00 8.00 -0.96 -4.32 116.55 113.20 1a3h n ASP 187 Ca -0.01 -0.46 -0.13 0.00 0.71 0.00 0.00 54.79 54.90 1a3h n ASP 187 Cb 0.34 -0.08 0.03 0.00 -0.02 0.00 0.00 41.12 41.39 1a3h n ASP 187 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1a3h n ASN 188 N -1.04 -0.92 -4.76 -2.24 5.15 -0.56 -5.10 115.26 105.80 1a3h n ASN 188 Ca 0.13 -3.36 -0.35 0.00 -0.60 0.00 0.00 54.58 50.41 1a3h n ASN 188 Cb 0.29 0.75 0.04 0.00 -0.53 0.00 0.00 39.78 40.33 1a3h n ASN 188 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1a3h s GLN 189 N -0.92 2.88 0.65 1.20 -0.21 -1.00 -4.88 119.66 117.38 1a3h s GLN 189 Ca 0.31 1.64 -0.15 0.00 0.02 0.00 0.00 55.36 57.18 1a3h s GLN 189 Cb 0.31 -1.94 -0.01 0.00 1.00 0.00 0.00 33.01 32.37 1a3h s GLN 189 CO -0.07 -1.23 1.09 -0.51 -2.12 0.00 0.00 175.29 172.44 1a3h s LEU 190 N -4.40 3.38 0.17 2.90 1.43 -1.26 -4.99 118.68 115.92 1a3h s LEU 190 Ca 0.73 1.90 0.02 0.00 -1.03 0.00 0.00 54.13 55.74 1a3h s LEU 190 Cb -0.26 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.45 1a3h s LEU 190 CO 0.36 -1.50 1.40 0.00 0.23 0.00 0.00 176.35 176.84 1a3h h ALA 191 N 0.02 0.56 -2.51 4.21 0.00 -2.02 -3.45 119.26 116.07 1a3h h ALA 191 Ca -0.46 -0.68 -0.55 0.00 0.00 0.00 0.00 54.91 53.21 1a3h h ALA 191 Cb 1.23 -0.07 0.07 0.00 0.00 0.00 0.00 17.79 19.03 1a3h h ALA 191 CO 0.55 0.86 0.83 -3.47 0.00 0.00 0.00 179.25 178.02 1a3h n ASP 192 N -3.72 3.45 0.06 0.00 -0.08 -1.26 -4.86 116.55 110.13 1a3h n ASP 192 Ca -0.04 1.11 0.12 0.00 -1.51 0.00 0.00 54.79 54.47 1a3h n ASP 192 Cb 0.77 -1.51 0.47 0.00 2.34 0.00 0.00 41.12 43.19 1a3h n ASP 192 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1a3h n PRO 193 N 2.90 0.13 -1.83 -0.67 -0.04 -1.26 -3.32 135.00 130.90 1a3h n PRO 193 Ca 0.13 0.20 -0.25 0.00 -0.04 0.00 0.00 63.50 63.54 1a3h n PRO 193 Cb 0.33 -1.68 0.04 0.00 -0.04 0.00 0.00 33.50 32.15 1a3h n PRO 193 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1a3h n ASN 194 N -1.90 5.39 -4.83 3.54 3.02 -1.26 -4.42 115.26 114.79 1a3h n ASN 194 Ca 0.05 -3.76 -0.33 0.00 -0.03 0.00 0.00 54.58 50.51 1a3h n ASN 194 Cb 0.32 -0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 1a3h n ASN 194 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1a3h s VAL 195 N -4.60 5.00 0.14 2.41 1.01 -1.21 -1.97 120.40 121.18 1a3h s VAL 195 Ca 0.53 -0.37 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1a3h s VAL 195 Cb 0.43 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1a3h s VAL 195 CO 0.03 0.30 -0.17 -0.04 0.00 0.00 0.00 175.10 175.21 1a3h s MET 196 N -1.95 1.17 -0.11 2.72 -1.94 -0.32 -4.58 119.30 114.28 1a3h s MET 196 Ca 0.26 -1.33 -0.04 0.00 -1.71 0.00 0.00 55.69 52.87 1a3h s MET 196 Cb -0.12 -1.19 -0.04 0.00 2.01 0.00 0.00 34.83 35.49 1a3h s MET 196 CO 0.18 0.24 0.04 0.71 -0.01 0.00 0.00 175.02 176.18 1a3h s TYR 197 N -2.00 3.26 0.24 -0.03 2.02 -0.07 -0.62 117.35 120.15 1a3h s TYR 197 Ca 0.13 0.21 -0.30 0.00 -0.37 0.00 0.00 57.07 56.74 1a3h s TYR 197 Cb -0.06 -1.88 -0.09 0.00 -0.40 0.00 0.00 41.96 39.53 1a3h s TYR 197 CO 0.05 0.44 1.01 0.00 -1.57 0.00 0.00 175.55 175.48 1a3h s ALA 198 N -0.62 3.36 -0.08 3.71 0.00 -0.27 -1.48 121.76 126.38 1a3h s ALA 198 Ca 0.11 0.73 0.01 0.00 0.00 0.00 0.00 51.96 52.81 1a3h s ALA 198 Cb -0.12 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.76 1a3h s ALA 198 CO 0.02 0.03 -0.09 0.12 0.00 0.00 0.00 175.76 175.85 1a3h s PHE 199 N -1.02 1.33 0.00 0.00 5.36 -0.97 -4.26 117.98 118.41 1a3h s PHE 199 Ca 0.43 -0.55 0.08 0.00 -0.96 0.00 0.00 56.93 55.93 1a3h s PHE 199 Cb -0.28 -1.06 -0.02 0.00 -0.34 0.00 0.00 43.02 41.31 1a3h s PHE 199 CO 0.35 -0.36 -0.25 -1.01 -1.46 0.00 0.00 175.22 172.49 1a3h s HIS 200 N 1.18 2.23 0.10 10.12 3.76 0.10 -3.67 115.29 129.11 1a3h s HIS 200 Ca -0.05 -0.42 -0.02 0.00 -0.15 0.00 0.00 55.06 54.42 1a3h s HIS 200 Cb -0.14 -1.40 -0.03 0.00 1.11 0.00 0.00 32.58 32.11 1a3h s HIS 200 CO -0.02 0.01 0.06 -0.59 -0.85 0.00 0.00 174.74 173.35 1a3h s PHE 201 N -0.66 0.63 -0.05 1.40 -0.12 -1.19 -4.67 117.98 113.33 1a3h s PHE 201 Ca 0.10 -1.07 0.02 0.00 -0.05 0.00 0.00 56.93 55.92 1a3h s PHE 201 Cb -0.10 -0.37 0.02 0.00 -0.63 0.00 0.00 43.02 41.94 1a3h s PHE 201 CO 0.00 -0.49 -0.07 0.71 -0.05 0.00 0.00 175.22 175.32 1a3h s TYR 202 N -3.98 0.93 -0.52 3.49 2.02 -1.26 -1.66 117.35 116.38 1a3h s TYR 202 Ca 0.15 -0.29 0.20 0.00 -0.37 0.00 0.00 57.07 56.77 1a3h s TYR 202 Cb 0.07 -0.75 0.91 0.00 -0.40 0.00 0.00 41.96 41.78 1a3h s TYR 202 CO -0.04 -0.20 1.62 0.00 -1.57 0.00 0.00 175.55 175.36 1a3h n ALA 203 N 3.88 1.47 0.53 3.71 0.00 -0.20 -1.80 120.51 128.10 1a3h n ALA 203 Ca -0.24 0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.38 1a3h n ALA 203 Cb 0.51 -1.32 0.39 0.00 0.00 0.00 0.00 19.45 19.04 1a3h n ALA 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a3h n GLY 204 N -0.41 -1.16 3.73 0.00 0.00 0.09 -4.64 105.19 102.80 1a3h n GLY 204 Ca 0.01 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1a3h n GLY 204 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3h s THR 205 N -3.09 5.41 0.06 2.61 2.01 -0.74 -4.89 115.64 117.01 1a3h s THR 205 Ca 0.07 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 1a3h s THR 205 Cb 0.11 -3.47 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 1a3h s THR 205 CO 0.34 0.45 1.89 -1.00 -0.69 0.00 0.00 174.62 175.61 1a3h s HIS 206 N 0.32 1.65 -1.10 4.92 3.76 -1.26 -4.89 115.29 118.69 1a3h s HIS 206 Ca 0.08 -0.25 0.15 0.00 -0.15 0.00 0.00 55.06 54.90 1a3h s HIS 206 Cb -0.11 -4.19 0.48 0.00 1.11 0.00 0.00 32.58 29.87 1a3h s HIS 206 CO -0.02 -5.17 1.41 0.41 -0.85 0.00 0.00 174.74 170.52 1a3h n GLY 207 N 4.39 2.87 0.32 -2.22 0.00 -1.26 -4.72 105.19 104.57 1a3h n GLY 207 Ca 0.19 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 1a3h n GLY 207 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1a3h h GLN 208 N 2.87 1.06 -0.14 1.61 4.15 -2.00 -0.79 115.11 121.88 1a3h h GLN 208 Ca 0.00 -0.26 -0.18 0.00 0.77 0.00 0.00 58.65 58.97 1a3h h GLN 208 Cb 1.01 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.56 1a3h h GLN 208 CO 0.07 0.96 -0.67 -0.97 -1.93 0.00 0.00 178.83 176.29 1a3h h ASN 209 N 1.00 0.63 -0.58 -0.69 -0.00 -1.99 -2.46 115.58 111.49 1a3h h ASN 209 Ca 0.20 -0.38 -0.05 0.00 -0.00 0.00 0.00 56.30 56.07 1a3h h ASN 209 Cb 0.40 -0.18 -0.03 0.00 -0.00 0.00 0.00 38.32 38.50 1a3h h ASN 209 CO 0.01 1.13 0.18 -0.07 -0.00 0.00 0.00 177.43 178.67 1a3h h LEU 210 N 0.39 0.88 -0.52 0.34 3.38 -1.78 0.58 115.31 118.59 1a3h h LEU 210 Ca -0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1a3h h LEU 210 Cb 1.24 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1a3h h LEU 210 CO 0.12 0.84 0.33 0.03 0.09 0.00 0.00 178.44 179.85 1a3h h ARG 211 N 0.92 0.70 -0.22 1.13 3.08 -1.08 -1.45 114.38 117.45 1a3h h ARG 211 Ca 0.20 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 1a3h h ARG 211 Cb 0.28 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1a3h h ARG 211 CO -0.01 0.49 -0.04 -0.44 -1.07 0.00 0.00 179.97 178.91 1a3h h ASP 212 N 0.70 0.31 -0.14 7.04 3.32 -0.88 -1.29 116.42 125.48 1a3h h ASP 212 Ca 0.19 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.03 1a3h h ASP 212 Cb -0.04 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1a3h h ASP 212 CO -0.04 0.40 -0.47 1.56 -1.72 0.00 0.00 179.24 178.97 1a3h h GLN 213 N 0.32 0.70 -0.50 3.56 1.08 -0.42 -0.74 115.11 119.11 1a3h h GLN 213 Ca 0.07 -0.40 -0.02 0.00 -1.45 0.00 0.00 58.65 56.85 1a3h h GLN 213 Cb 0.28 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 1a3h h GLN 213 CO 0.01 1.02 0.23 0.28 -0.95 0.00 0.00 178.83 179.42 1a3h h VAL 214 N 0.56 1.19 -0.81 -0.54 2.07 -0.91 -1.50 116.25 116.31 1a3h h VAL 214 Ca 0.03 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1a3h h VAL 214 Cb 1.03 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1a3h h VAL 214 CO 0.10 0.22 0.50 0.44 0.02 0.00 0.00 177.57 178.84 1a3h h ASP 215 N 0.66 0.96 -0.42 0.57 3.32 -0.99 -0.39 116.42 120.13 1a3h h ASP 215 Ca 0.17 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.19 1a3h h ASP 215 Cb 0.13 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 1a3h h ASP 215 CO -0.02 0.74 0.23 0.22 -1.72 0.00 0.00 179.24 178.69 1a3h h TYR 216 N 1.11 0.43 -0.47 4.55 3.20 -0.71 -0.54 116.97 124.54 1a3h h TYR 216 Ca 0.29 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 1a3h h TYR 216 Cb -0.06 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1a3h h TYR 216 CO -0.01 0.24 0.19 0.00 -1.64 0.00 0.00 178.16 176.95 1a3h h ALA 217 N 1.20 0.61 -0.83 1.82 0.00 -0.77 -2.08 119.26 119.20 1a3h h ALA 217 Ca 0.17 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1a3h h ALA 217 Cb 0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1a3h h ALA 217 CO -0.09 0.21 0.54 -0.07 0.00 0.00 0.00 179.25 179.84 1a3h h LEU 218 N 0.61 0.87 -1.95 0.00 3.38 -0.83 -1.28 115.31 116.10 1a3h h LEU 218 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1a3h h LEU 218 Cb 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1a3h h LEU 218 CO -0.01 0.59 0.00 0.44 0.09 0.00 0.00 178.44 179.54 1a3h h ASP 219 N 1.00 0.00 -0.16 -0.43 3.32 -0.40 -0.72 116.42 119.03 1a3h h ASP 219 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 1a3h h ASP 219 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1a3h h ASP 219 CO -0.10 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.42 1a3h n GLN 220 N -2.93 1.77 -0.79 3.56 1.13 -0.51 -4.92 117.38 114.69 1a3h n GLN 220 Ca -0.01 -1.15 0.00 0.00 -1.94 0.00 0.00 57.00 53.90 1a3h n GLN 220 Cb 0.19 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.13 1a3h n GLN 220 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a3h n GLY 221 N 1.16 0.70 3.75 1.08 0.00 -0.28 -5.03 105.19 106.58 1a3h n GLY 221 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1a3h n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3h s ALA 222 N -2.52 3.35 0.05 4.61 0.00 -1.07 -4.10 121.76 122.08 1a3h s ALA 222 Ca 0.00 0.70 -0.19 0.00 0.00 0.00 0.00 51.96 52.47 1a3h s ALA 222 Cb 0.00 -3.26 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 1a3h s ALA 222 CO 0.00 0.06 0.56 0.00 0.00 0.00 0.00 175.76 176.38 1a3h s ALA 223 N -0.97 3.58 -0.07 0.00 0.00 -1.26 -4.21 121.76 118.84 1a3h s ALA 223 Ca 0.43 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.45 1a3h s ALA 223 Cb -0.27 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1a3h s ALA 223 CO 0.34 0.35 -0.19 0.42 0.00 0.00 0.00 175.76 176.69 1a3h s ILE 224 N -0.91 1.63 -0.15 0.00 -1.09 -1.26 -0.89 121.20 118.53 1a3h s ILE 224 Ca 0.29 -0.80 0.01 0.00 -2.23 0.00 0.00 60.65 57.93 1a3h s ILE 224 Cb -0.19 -1.41 0.01 0.00 -1.58 0.00 0.00 42.46 39.28 1a3h s ILE 224 CO 0.18 0.46 -0.19 0.12 -1.23 0.00 0.00 174.94 174.29 1a3h s PHE 225 N 0.24 2.73 -1.26 3.97 2.19 -0.55 -4.52 117.98 120.77 1a3h s PHE 225 Ca -0.11 -1.24 -0.15 0.00 0.33 0.00 0.00 56.93 55.76 1a3h s PHE 225 Cb -0.15 -1.86 0.13 0.00 -1.31 0.00 0.00 43.02 39.84 1a3h s PHE 225 CO 0.05 -0.57 1.63 0.28 1.83 0.00 0.00 175.22 178.44 1a3h n VAL 226 N 4.12 4.12 0.99 3.12 0.31 -0.07 -2.29 118.33 128.62 1a3h n VAL 226 Ca -0.20 -4.39 0.11 0.00 -0.01 0.00 0.00 64.34 59.86 1a3h n VAL 226 Cb 0.51 -2.43 0.54 0.00 -0.91 0.00 0.00 33.84 31.56 1a3h n VAL 226 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1a3h n SER 227 N 6.35 0.00 -3.66 4.52 3.41 -1.24 -2.01 113.62 120.98 1a3h n SER 227 Ca 0.42 0.10 -0.08 0.00 -0.26 0.00 0.00 58.87 59.05 1a3h n SER 227 Cb 0.43 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 63.96 1a3h n SER 227 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1a3h s GLU 228 N -2.68 0.53 0.03 4.33 2.12 -1.24 -4.36 118.70 117.43 1a3h s GLU 228 Ca 0.19 1.07 -0.15 0.00 0.36 0.00 0.00 54.97 56.44 1a3h s GLU 228 Cb 0.15 0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.76 1a3h s GLU 228 CO 0.36 -0.17 0.32 1.67 -0.54 0.00 0.00 175.26 176.90 1a3h s TRP 229 N 1.85 -0.15 0.14 5.30 1.48 -0.93 -3.14 118.94 123.49 1a3h s TRP 229 Ca -0.08 0.10 0.04 0.00 -1.06 0.00 0.00 56.10 55.10 1a3h s TRP 229 Cb -0.08 0.11 -0.04 0.00 -1.16 0.00 0.00 33.47 32.30 1a3h s TRP 229 CO -0.16 -0.48 -0.10 0.20 -4.06 0.00 0.00 176.95 172.34 1a3h s GLY 230 N -1.84 1.03 0.00 3.67 0.00 -0.66 -0.57 107.32 108.95 1a3h s GLY 230 Ca -0.07 -1.45 0.28 0.00 0.00 0.00 0.00 44.72 43.48 1a3h s GLY 230 CO -0.01 -1.54 1.79 -1.30 0.00 0.00 0.00 173.10 172.04 1a3h n THR 231 N -0.08 0.00 -2.55 0.90 -2.24 -1.26 -1.03 114.28 108.01 1a3h n THR 231 Ca -0.11 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1a3h n THR 231 Cb 0.60 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 1a3h n THR 231 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1a3h n SER 232 N -0.80 0.00 -4.11 3.42 3.41 -1.26 -0.91 113.62 113.38 1a3h n SER 232 Ca 0.15 -0.76 -0.30 0.00 -0.26 0.00 0.00 58.87 57.70 1a3h n SER 232 Cb 0.29 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.44 1a3h n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a3h s ALA 233 N -2.21 1.79 0.52 7.33 0.00 -0.65 -0.74 121.76 127.80 1a3h s ALA 233 Ca 0.00 -1.08 0.36 0.00 0.00 0.00 0.00 51.96 51.24 1a3h s ALA 233 Cb 0.00 -2.83 1.93 0.00 0.00 0.00 0.00 23.12 22.22 1a3h s ALA 233 CO 0.00 -2.71 2.23 0.00 0.00 0.00 0.00 175.76 175.28 1a3h h ALA 234 N -1.86 1.19 0.00 0.00 0.00 -1.88 -1.01 119.26 115.69 1a3h h ALA 234 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1a3h h ALA 234 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1a3h h ALA 234 CO 0.39 0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.93 1a3h n THR 235 N -3.39 0.48 -0.22 0.00 -2.24 -1.26 -4.87 114.28 102.77 1a3h n THR 235 Ca -0.02 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1a3h n THR 235 Cb 0.14 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 1a3h n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a3h n GLY 236 N 1.04 0.67 0.00 3.38 0.00 -0.38 -5.02 105.19 104.89 1a3h n GLY 236 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1a3h n GLY 236 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a3h n ASP 237 N 0.00 0.54 -1.05 1.61 2.03 -1.26 -1.81 116.55 116.61 1a3h n ASP 237 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 1a3h n ASP 237 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1a3h n ASP 237 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a3h n GLY 238 N 1.56 0.27 0.00 0.27 0.00 -1.26 -1.64 105.19 104.39 1a3h n GLY 238 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1a3h n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a3h n GLY 239 N -0.99 2.64 3.33 -0.02 0.00 -1.26 -4.64 105.19 104.25 1a3h n GLY 239 Ca -0.04 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 1a3h n GLY 239 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3h s VAL 240 N -2.96 2.75 -0.66 1.61 1.01 -1.26 -4.00 120.40 116.89 1a3h s VAL 240 Ca 0.00 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.26 1a3h s VAL 240 Cb 0.00 -2.13 0.22 0.00 0.00 0.00 0.00 36.38 34.47 1a3h s VAL 240 CO 0.00 0.54 0.64 0.49 0.00 0.00 0.00 175.10 176.76 1a3h n PHE 241 N 3.49 3.33 0.19 5.22 3.01 -0.08 -4.94 117.46 127.68 1a3h n PHE 241 Ca -0.18 -4.19 0.07 0.00 1.01 0.00 0.00 57.45 54.15 1a3h n PHE 241 Cb 0.53 -0.57 0.32 0.00 -0.01 0.00 0.00 39.48 39.75 1a3h n PHE 241 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1a3h h LEU 242 N 4.67 0.00 -0.12 4.37 3.38 -1.94 -1.27 115.31 124.40 1a3h h LEU 242 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 1a3h h LEU 242 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1a3h h LEU 242 CO 0.77 0.33 0.00 0.44 0.09 0.00 0.00 178.44 180.07 1a3h h ASP 243 N 0.00 0.20 -0.12 -0.43 3.32 -1.97 -0.98 116.42 116.44 1a3h h ASP 243 Ca -0.00 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.63 1a3h h ASP 243 Cb 0.94 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1a3h h ASP 243 CO 0.04 0.46 -0.28 -0.08 -1.72 0.00 0.00 179.24 177.67 1a3h h GLU 244 N -0.06 0.59 -0.81 3.56 4.57 -1.84 -2.43 114.58 118.16 1a3h h GLU 244 Ca 0.03 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 57.95 1a3h h GLU 244 Cb 0.36 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 1a3h h GLU 244 CO 0.01 0.80 0.43 0.00 -1.18 0.00 0.00 179.01 179.07 1a3h h ALA 245 N 1.19 1.24 -0.56 2.92 0.00 -1.11 -1.76 119.26 121.19 1a3h h ALA 245 Ca 0.07 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1a3h h ALA 245 Cb 0.74 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1a3h h ALA 245 CO 0.06 0.61 0.04 0.37 0.00 0.00 0.00 179.25 180.33 1a3h h GLN 246 N 1.13 0.92 -0.71 0.00 5.75 -0.80 0.99 115.11 122.40 1a3h h GLN 246 Ca 0.28 -0.25 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1a3h h GLN 246 Cb 0.04 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1a3h h GLN 246 CO -0.04 0.89 0.46 0.28 -2.65 0.00 0.00 178.83 177.77 1a3h h VAL 247 N 0.86 1.18 -0.51 2.39 2.07 -0.96 -0.41 116.25 120.88 1a3h h VAL 247 Ca 0.17 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 1a3h h VAL 247 Cb 0.45 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1a3h h VAL 247 CO 0.02 0.18 -0.09 -0.50 0.02 0.00 0.00 177.57 177.19 1a3h h TRP 248 N 0.96 1.02 -0.45 1.57 4.06 -0.65 -1.30 115.95 121.16 1a3h h TRP 248 Ca 0.26 -0.20 -0.00 0.00 2.06 0.00 0.00 58.89 61.01 1a3h h TRP 248 Cb -0.10 -0.26 -0.02 0.00 -1.00 0.00 0.00 29.16 27.78 1a3h h TRP 248 CO -0.02 0.96 0.28 0.82 -3.56 0.00 0.00 178.44 176.92 1a3h h ILE 249 N 0.83 1.14 -0.59 1.49 1.08 -0.36 0.33 117.51 121.42 1a3h h ILE 249 Ca 0.14 -0.29 -0.10 0.00 -0.39 0.00 0.00 64.86 64.22 1a3h h ILE 249 Cb 0.62 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 1a3h h ILE 249 CO 0.04 0.14 -0.00 0.44 -0.69 0.00 0.00 178.15 178.07 1a3h h ASP 250 N 0.61 1.02 -0.25 1.72 3.32 -0.93 -1.62 116.42 120.28 1a3h h ASP 250 Ca 0.16 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.93 1a3h h ASP 250 Cb -0.02 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 1a3h h ASP 250 CO -0.03 1.07 0.14 0.15 -1.72 0.00 0.00 179.24 178.86 1a3h h PHE 251 N 0.95 0.27 -0.47 4.55 3.57 -0.91 -1.23 116.94 123.68 1a3h h PHE 251 Ca 0.17 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 1a3h h PHE 251 Cb 0.56 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1a3h h PHE 251 CO 0.04 0.16 -0.01 0.52 -2.23 0.00 0.00 178.31 176.79 1a3h h MET 252 N 0.30 0.78 -0.50 1.11 2.86 -0.68 -1.71 114.93 117.09 1a3h h MET 252 Ca 0.10 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 1a3h h MET 252 Cb 0.00 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1a3h h MET 252 CO -0.05 0.79 0.15 -0.44 1.06 0.00 0.00 176.91 178.43 1a3h h ASP 253 N 0.73 0.73 0.23 1.22 3.32 -1.04 0.07 116.42 121.67 1a3h h ASP 253 Ca 0.14 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 56.93 1a3h h ASP 253 Cb 0.46 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 1a3h h ASP 253 CO 0.02 0.74 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.71 1a3h h GLU 254 N 0.67 0.03 -0.63 3.56 5.08 -0.82 -2.87 114.58 119.60 1a3h h GLU 254 Ca 0.16 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1a3h h GLU 254 Cb 0.28 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1a3h h GLU 254 CO -0.00 0.28 0.00 0.54 -1.00 0.00 0.00 179.01 178.82 1a3h n ARG 255 N -4.24 2.61 -3.68 2.33 3.00 -0.68 -4.97 116.66 111.03 1a3h n ARG 255 Ca -0.02 -2.48 -0.25 0.00 -0.01 0.00 0.00 57.85 55.09 1a3h n ARG 255 Cb 0.30 -1.54 0.06 0.00 0.00 0.00 0.00 32.46 31.28 1a3h n ARG 255 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1a3h n ASN 256 N 1.55 -4.76 -4.70 0.55 5.15 -0.45 -4.96 115.26 107.64 1a3h n ASN 256 Ca 0.23 -0.65 -0.36 0.00 -0.60 0.00 0.00 54.58 53.19 1a3h n ASN 256 Cb 0.60 -4.59 -0.08 0.00 -0.53 0.00 0.00 39.78 35.18 1a3h n ASN 256 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1a3h s LEU 257 N -7.11 4.19 0.47 1.20 1.43 -0.12 -4.78 118.68 113.97 1a3h s LEU 257 Ca 0.47 0.34 -0.19 0.00 -1.03 0.00 0.00 54.13 53.71 1a3h s LEU 257 Cb -0.22 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.66 1a3h s LEU 257 CO 0.77 0.09 0.98 -0.44 0.23 0.00 0.00 176.35 177.97 1a3h s SER 258 N 0.66 6.72 0.09 2.29 0.01 -1.26 -4.71 113.70 117.49 1a3h s SER 258 Ca 0.12 1.68 -0.19 0.00 1.31 0.00 0.00 55.95 58.88 1a3h s SER 258 Cb -0.13 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.61 1a3h s SER 258 CO 0.03 -0.52 0.45 -1.66 0.41 0.00 0.00 173.24 171.96 1a3h s TRP 259 N -2.31 -0.31 -0.07 2.43 1.48 0.19 -0.90 118.94 119.45 1a3h s TRP 259 Ca 0.62 0.16 0.01 0.00 -1.06 0.00 0.00 56.10 55.82 1a3h s TRP 259 Cb -0.10 0.30 0.02 0.00 -1.16 0.00 0.00 33.47 32.53 1a3h s TRP 259 CO 0.21 -0.67 -0.06 0.00 -4.06 0.00 0.00 176.95 172.36 1a3h s ALA 260 N -3.14 0.99 0.17 2.67 0.00 -0.85 -1.59 121.76 120.02 1a3h s ALA 260 Ca -0.01 -0.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.47 1a3h s ALA 260 Cb 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 23.12 22.40 1a3h s ALA 260 CO -0.07 -0.17 0.67 1.21 0.00 0.00 0.00 175.76 177.40 1a3h s ASN 261 N 1.26 7.07 -0.30 0.00 3.84 -0.33 -2.19 114.94 124.29 1a3h s ASN 261 Ca -0.05 1.37 -0.11 0.00 0.21 0.00 0.00 52.86 54.28 1a3h s ASN 261 Cb -0.14 -2.40 -0.03 0.00 -0.55 0.00 0.00 41.25 38.14 1a3h s ASN 261 CO -0.02 0.11 0.18 0.86 -2.79 0.00 0.00 177.10 175.44 1a3h s TRP 262 N -1.38 3.20 0.25 0.43 -0.11 0.26 -0.66 118.94 120.93 1a3h s TRP 262 Ca 0.38 -0.22 -0.22 0.00 1.22 0.00 0.00 56.10 57.27 1a3h s TRP 262 Cb -0.18 -2.39 0.03 0.00 -1.50 0.00 0.00 33.47 29.44 1a3h s TRP 262 CO 0.21 -0.32 0.71 -1.54 -4.62 0.00 0.00 176.95 171.39 1a3h s SER 263 N 1.70 -0.32 -1.09 5.86 1.04 -1.10 -4.58 113.70 115.21 1a3h s SER 263 Ca 0.06 -0.48 -0.16 0.00 0.48 0.00 0.00 55.95 55.85 1a3h s SER 263 Cb -0.17 0.69 0.15 0.00 0.10 0.00 0.00 66.02 66.80 1a3h s SER 263 CO 0.09 -1.25 1.31 -0.22 0.98 0.00 0.00 173.24 174.15 1a3h s LEU 264 N -2.88 5.04 0.19 2.42 2.96 -0.00 -1.33 118.68 125.07 1a3h s LEU 264 Ca 0.09 -2.60 -0.16 0.00 -0.22 0.00 0.00 54.13 51.24 1a3h s LEU 264 Cb -0.05 -2.40 0.02 0.00 0.50 0.00 0.00 46.19 44.26 1a3h s LEU 264 CO 0.03 -0.88 0.49 0.28 -1.32 0.00 0.00 176.35 174.95 1a3h s THR 265 N 2.06 0.03 -2.18 3.68 -1.32 -1.26 -4.07 115.64 112.58 1a3h s THR 265 Ca 0.39 -0.87 0.22 0.00 -1.21 0.00 0.00 61.69 60.22 1a3h s THR 265 Cb -0.04 -1.63 0.55 0.00 -1.51 0.00 0.00 72.50 69.88 1a3h s THR 265 CO -0.04 -0.14 1.48 0.00 -2.21 0.00 0.00 174.62 173.71 1a3h n HIS 266 N -0.33 0.77 -1.58 9.09 1.44 -1.26 -1.84 115.22 121.51 1a3h n HIS 266 Ca -0.09 -0.38 -0.44 0.00 -2.01 0.00 0.00 57.72 54.79 1a3h n HIS 266 Cb 0.62 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.72 1a3h n HIS 266 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1a3h n LYS 267 N 1.51 1.29 -2.09 -1.40 4.81 -1.26 -4.31 118.16 116.71 1a3h n LYS 267 Ca 0.22 0.45 -0.42 0.00 -0.87 0.00 0.00 58.31 57.69 1a3h n LYS 267 Cb 0.59 -1.83 0.00 0.00 0.02 0.00 0.00 35.03 33.81 1a3h n LYS 267 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1a3h n ASP 268 N 1.16 4.35 -3.79 3.14 2.03 -1.26 -4.64 116.55 117.54 1a3h n ASP 268 Ca 0.10 -2.89 -0.13 0.00 0.52 0.00 0.00 54.79 52.39 1a3h n ASP 268 Cb 0.33 -1.67 -0.09 0.00 -0.72 0.00 0.00 41.12 38.97 1a3h n ASP 268 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1a3h s GLU 269 N 3.18 0.58 0.47 -0.67 -1.05 -1.26 -5.07 118.70 114.88 1a3h s GLU 269 Ca 0.48 -0.17 0.14 0.00 -0.15 0.00 0.00 54.97 55.27 1a3h s GLU 269 Cb 0.10 0.26 1.10 0.00 -0.44 0.00 0.00 34.13 35.15 1a3h s GLU 269 CO -0.03 -0.15 2.07 0.77 0.95 0.00 0.00 175.26 178.87 1a3h h SER 270 N 4.20 0.23 1.24 0.83 0.02 -1.86 -1.83 113.55 116.39 1a3h h SER 270 Ca -0.29 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1a3h h SER 270 Cb 1.18 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1a3h h SER 270 CO 0.39 0.16 0.00 0.77 -1.14 0.00 0.00 176.83 177.01 1a3h h SER 271 N 0.27 0.00 -3.28 3.07 4.64 -1.66 -3.41 113.55 113.17 1a3h h SER 271 Ca 0.14 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.93 1a3h h SER 271 Cb 0.21 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.36 1a3h h SER 271 CO -0.03 0.00 0.78 0.00 -0.87 0.00 0.00 176.83 176.72 1a3h s ALA 272 N -3.26 3.66 -0.21 5.18 0.00 -0.69 -2.69 121.76 123.75 1a3h s ALA 272 Ca 0.07 1.34 0.23 0.00 0.00 0.00 0.00 51.96 53.59 1a3h s ALA 272 Cb 0.10 -3.57 0.51 0.00 0.00 0.00 0.00 23.12 20.15 1a3h s ALA 272 CO 0.53 -0.76 1.65 0.00 0.00 0.00 0.00 175.76 177.19 1a3h h ALA 273 N 5.35 0.92 -3.06 0.00 0.00 -1.23 -3.39 119.26 117.85 1a3h h ALA 273 Ca -0.45 -0.14 -0.64 0.00 0.00 0.00 0.00 54.91 53.67 1a3h h ALA 273 Cb 1.22 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 1a3h h ALA 273 CO 0.80 0.20 -0.77 -0.51 0.00 0.00 0.00 179.25 178.97 1a3h s LEU 274 N -6.35 2.72 0.39 0.00 1.43 -0.77 -1.64 118.68 114.46 1a3h s LEU 274 Ca 0.04 -0.72 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1a3h s LEU 274 Cb 0.07 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 1a3h s LEU 274 CO 0.67 0.11 0.59 -0.04 0.23 0.00 0.00 176.35 177.90 1a3h s MET 275 N -2.78 3.30 0.42 1.70 -1.94 -0.04 -4.22 119.30 115.74 1a3h s MET 275 Ca 0.23 -0.44 0.26 0.00 -1.71 0.00 0.00 55.69 54.03 1a3h s MET 275 Cb -0.08 -2.63 1.33 0.00 2.01 0.00 0.00 34.83 35.45 1a3h s MET 275 CO 0.13 -0.02 1.65 -1.35 -0.01 0.00 0.00 175.02 175.42 1a3h h PRO 276 N 0.62 0.16 -0.60 2.03 0.11 -1.88 -1.66 132.00 130.77 1a3h h PRO 276 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1a3h h PRO 276 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1a3h h PRO 276 CO 0.59 0.10 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 1a3h n GLY 277 N -1.47 1.95 3.71 -0.55 0.00 -1.26 -4.95 105.19 102.61 1a3h n GLY 277 Ca 0.34 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 1a3h n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3h s ALA 278 N -1.53 3.58 0.24 4.61 0.00 -0.63 -4.96 121.76 123.08 1a3h s ALA 278 Ca 0.40 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 1a3h s ALA 278 Cb 0.23 -3.56 -0.10 0.00 0.00 0.00 0.00 23.12 19.69 1a3h s ALA 278 CO 0.23 -0.72 1.44 1.21 0.00 0.00 0.00 175.76 177.92 1a3h s ASN 279 N 1.41 6.65 0.19 0.00 3.84 -1.26 -4.89 114.94 120.87 1a3h s ASN 279 Ca 0.65 2.66 0.20 0.00 0.21 0.00 0.00 52.86 56.57 1a3h s ASN 279 Cb -0.35 -2.62 0.85 0.00 -0.55 0.00 0.00 41.25 38.58 1a3h s ASN 279 CO 0.29 -0.70 1.60 -0.81 -2.79 0.00 0.00 177.10 174.69 1a3h n PRO 280 N 2.40 0.13 -0.36 0.43 -0.04 -1.26 -1.75 135.00 134.55 1a3h n PRO 280 Ca 0.07 0.41 0.09 0.00 -0.04 0.00 0.00 63.50 64.04 1a3h n PRO 280 Cb 0.40 -1.77 0.28 0.00 -0.04 0.00 0.00 33.50 32.37 1a3h n PRO 280 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1a3h n THR 281 N -2.01 1.21 -0.76 0.52 -2.24 -1.26 -4.46 114.28 105.28 1a3h n THR 281 Ca 0.02 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1a3h n THR 281 Cb 0.17 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1a3h n THR 281 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a3h n GLY 282 N 1.13 -1.78 1.55 3.38 0.00 -0.72 -3.24 105.19 105.52 1a3h n GLY 282 Ca 0.21 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1a3h n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a3h n GLY 283 N 0.00 0.52 3.73 -0.02 0.00 -1.26 -4.56 105.19 103.60 1a3h n GLY 283 Ca 0.00 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1a3h n GLY 283 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1a3h n TRP 284 N -2.78 2.73 -2.05 1.61 8.01 -1.26 -5.02 117.44 118.69 1a3h n TRP 284 Ca 0.00 0.20 -0.27 0.00 -1.31 0.00 0.00 57.50 56.12 1a3h n TRP 284 Cb 0.00 -2.61 0.08 0.00 -2.01 0.00 0.00 31.31 26.77 1a3h n TRP 284 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 1a3h s THR 285 N 0.41 2.13 0.26 -0.99 -4.23 -1.26 -4.95 115.64 107.02 1a3h s THR 285 Ca 0.69 -0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 61.04 1a3h s THR 285 Cb -0.52 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.56 1a3h s THR 285 CO 0.43 0.00 1.85 -0.33 -0.54 0.00 0.00 174.62 176.03 1a3h h GLU 286 N -0.84 0.97 0.00 3.99 3.07 -1.95 -1.35 114.58 118.48 1a3h h GLU 286 Ca -0.45 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.35 1a3h h GLU 286 Cb 1.32 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1a3h h GLU 286 CO 0.63 0.64 0.00 0.00 -1.40 0.00 0.00 179.01 178.88 1a3h h ALA 287 N 1.46 1.00 -0.01 3.43 0.00 -2.01 -2.64 119.26 120.50 1a3h h ALA 287 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1a3h h ALA 287 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a3h h ALA 287 CO -0.21 0.00 -0.22 0.39 0.00 0.00 0.00 179.25 179.21 1a3h n GLU 288 N -2.57 0.94 -3.83 0.00 1.02 -0.51 -4.81 120.64 110.88 1a3h n GLU 288 Ca 0.01 -0.55 -0.37 0.00 -0.02 0.00 0.00 57.16 56.24 1a3h n GLU 288 Cb 0.25 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.12 1a3h n GLU 288 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1a3h s LEU 289 N -2.44 4.40 0.95 -4.62 1.43 -0.99 -0.86 118.68 116.55 1a3h s LEU 289 Ca 0.26 0.52 -0.14 0.00 -1.03 0.00 0.00 54.13 53.74 1a3h s LEU 289 Cb 0.19 -2.23 0.17 0.00 0.03 0.00 0.00 46.19 44.36 1a3h s LEU 289 CO 0.49 0.37 1.19 -0.94 0.23 0.00 0.00 176.35 177.70 1a3h s SER 290 N -1.17 3.18 0.31 2.29 1.04 -0.65 -4.72 113.70 113.98 1a3h s SER 290 Ca 0.18 0.70 0.01 0.00 0.48 0.00 0.00 55.95 57.32 1a3h s SER 290 Cb -0.13 -1.07 0.55 0.00 0.10 0.00 0.00 66.02 65.48 1a3h s SER 290 CO 0.07 -2.73 1.93 -0.65 0.98 0.00 0.00 173.24 172.84 1a3h h PRO 291 N -1.63 0.97 -0.02 4.02 0.11 -1.89 0.04 132.00 133.61 1a3h h PRO 291 Ca -0.47 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1a3h h PRO 291 Cb 1.30 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1a3h h PRO 291 CO 0.52 0.64 0.00 1.03 -0.21 0.00 0.00 178.00 179.99 1a3h h SER 292 N 1.00 0.03 -0.84 -2.05 0.87 -1.82 -2.66 113.55 108.07 1a3h h SER 292 Ca 0.36 -0.24 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 1a3h h SER 292 Cb 0.14 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 1a3h h SER 292 CO -0.12 0.27 0.55 1.23 -0.53 0.00 0.00 176.83 178.22 1a3h h GLY 293 N -0.21 1.21 0.81 5.77 0.00 -1.47 -0.65 103.07 108.53 1a3h h GLY 293 Ca 0.01 -0.42 0.04 0.00 0.00 0.00 0.00 47.33 46.95 1a3h h GLY 293 CO 0.00 0.38 0.38 -0.84 0.00 0.00 0.00 176.54 176.45 1a3h h THR 294 N 1.08 1.04 -0.23 4.70 2.02 -1.00 -0.54 112.91 119.97 1a3h h THR 294 Ca 0.33 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 67.23 1a3h h THR 294 Cb -0.04 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1a3h h THR 294 CO -0.10 0.13 0.02 0.15 0.37 0.00 0.00 175.52 176.09 1a3h h PHE 295 N 0.73 0.43 -0.59 3.16 3.57 -1.08 -1.68 116.94 121.47 1a3h h PHE 295 Ca 0.27 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1a3h h PHE 295 Cb 0.08 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1a3h h PHE 295 CO -0.06 0.55 0.25 0.28 -2.23 0.00 0.00 178.31 177.09 1a3h h VAL 296 N 0.19 1.23 -0.68 1.41 2.07 -0.92 -0.92 116.25 118.62 1a3h h VAL 296 Ca 0.07 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.95 1a3h h VAL 296 Cb 0.36 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1a3h h VAL 296 CO 0.01 0.27 0.39 -0.09 0.02 0.00 0.00 177.57 178.17 1a3h h ARG 297 N 0.82 0.71 -0.59 1.57 2.43 -1.08 -1.23 114.38 117.01 1a3h h ARG 297 Ca 0.20 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1a3h h ARG 297 Cb 0.19 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 1a3h h ARG 297 CO -0.02 0.47 0.27 0.93 -1.51 0.00 0.00 179.97 180.11 1a3h h GLU 298 N 0.73 0.87 -0.81 0.20 5.08 -0.73 -0.53 114.58 119.39 1a3h h GLU 298 Ca 0.30 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1a3h h GLU 298 Cb 0.14 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1a3h h GLU 298 CO -0.16 0.72 0.52 0.87 -1.00 0.00 0.00 179.01 179.96 1a3h h LYS 299 N 0.81 1.08 -0.11 2.33 1.79 -0.41 -0.39 116.57 121.68 1a3h h LYS 299 Ca 0.20 -0.07 -0.18 0.00 -2.18 0.00 0.00 60.65 58.41 1a3h h LYS 299 Cb 0.15 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1a3h h LYS 299 CO -0.02 0.72 -0.70 0.82 -1.08 0.00 0.00 179.45 179.19 1a3h h ILE 300 N 1.10 1.35 -0.51 1.86 2.04 -1.04 -2.72 117.51 119.59 1a3h h ILE 300 Ca 0.29 -2.05 -0.09 0.00 1.00 0.00 0.00 64.86 64.01 1a3h h ILE 300 Cb -0.10 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1a3h h ILE 300 CO -0.06 0.62 -0.04 0.03 0.00 0.00 0.00 178.15 178.70 1a3h h ARG 301 N 0.34 0.89 -0.32 2.37 3.08 -0.88 -2.31 114.38 117.55 1a3h h ARG 301 Ca -0.03 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.70 1a3h h ARG 301 Cb 1.27 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 1a3h h ARG 301 CO 0.13 0.91 0.01 0.93 -1.07 0.00 0.00 179.97 180.88 1a3h h GLU 302 N 0.82 0.49 0.00 0.04 5.08 -1.02 -3.50 114.58 116.48 1a3h h GLU 302 Ca 0.15 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1a3h h GLU 302 Cb 0.54 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1a3h h GLU 302 CO 0.03 0.50 0.00 0.45 -1.00 0.00 0.00 179.01 178.99