#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5a3h h VAL 5 N 0.00 0.20 -0.04 -3.33 2.07 -1.88 -0.91 116.25 112.36 5a3h h VAL 5 Ca 0.00 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.37 5a3h h VAL 5 Cb 0.00 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 5a3h h VAL 5 CO 0.00 0.00 -0.64 0.58 0.02 0.00 0.00 177.57 177.53 5a3h h VAL 6 N -0.75 1.42 -0.57 2.57 2.07 -1.78 -0.40 116.25 118.81 5a3h h VAL 6 Ca -0.01 -2.10 -0.10 0.00 0.82 0.00 0.00 66.70 65.31 5a3h h VAL 6 Cb 0.70 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 5a3h h VAL 6 CO -0.12 0.61 -0.02 -0.08 0.02 0.00 0.00 177.57 177.98 5a3h h GLU 7 N 0.11 1.01 -0.04 1.57 4.81 -1.80 0.28 114.58 120.52 5a3h h GLU 7 Ca -0.01 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 5a3h h GLU 7 Cb 1.14 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.43 5a3h h GLU 7 CO 0.09 1.00 -0.19 1.49 -0.73 0.00 0.00 179.01 180.67 5a3h h GLU 8 N 0.92 0.19 0.00 1.92 4.81 -0.92 -3.37 114.58 118.14 5a3h h GLU 8 Ca 0.16 -0.16 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 5a3h h GLU 8 Cb 0.56 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 5a3h h GLU 8 CO 0.03 0.82 -1.76 0.72 -0.73 0.00 0.00 179.01 178.09 5a3h n HIS 9 N -4.56 0.86 0.00 0.92 8.25 -0.18 -4.89 115.22 115.61 5a3h n HIS 9 Ca -0.09 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 5a3h n HIS 9 Cb 0.44 -1.14 0.00 0.00 1.12 0.00 0.00 29.99 30.40 5a3h n HIS 9 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 5a3h n GLY 10 N 1.56 3.61 3.67 -1.41 0.00 0.99 -2.06 105.19 111.55 5a3h n GLY 10 Ca -0.18 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 5a3h n GLY 10 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 5a3h s GLN 11 N 0.00 4.23 0.26 1.61 2.00 -1.26 -4.81 119.66 121.68 5a3h s GLN 11 Ca 0.00 1.99 -0.04 0.00 -2.00 0.00 0.00 55.36 55.32 5a3h s GLN 11 Cb 0.00 -3.78 -0.05 0.00 0.80 0.00 0.00 33.01 29.99 5a3h s GLN 11 CO 0.00 -0.72 0.50 -0.51 -0.50 0.00 0.00 175.29 174.06 5a3h s LEU 12 N 3.29 4.11 0.34 3.68 1.43 -1.26 -1.45 118.68 128.83 5a3h s LEU 12 Ca 0.66 0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 54.20 5a3h s LEU 12 Cb -0.30 -3.41 0.04 0.00 0.03 0.00 0.00 46.19 42.54 5a3h s LEU 12 CO 0.25 -0.14 0.75 -0.94 0.23 0.00 0.00 176.35 176.50 5a3h s SER 13 N -3.15 -0.08 -0.18 2.29 1.04 -0.61 -4.66 113.70 108.36 5a3h s SER 13 Ca 0.42 -0.94 -0.04 0.00 0.48 0.00 0.00 55.95 55.87 5a3h s SER 13 Cb -0.11 0.80 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 5a3h s SER 13 CO 0.29 -1.54 -0.03 -0.63 0.98 0.00 0.00 173.24 172.32 5a3h s ILE 14 N -2.98 3.84 -0.17 -1.02 -1.09 -1.26 -1.09 121.20 117.43 5a3h s ILE 14 Ca 0.14 -0.36 -0.01 0.00 -2.23 0.00 0.00 60.65 58.19 5a3h s ILE 14 Cb -0.05 -2.71 0.04 0.00 -1.58 0.00 0.00 42.46 38.17 5a3h s ILE 14 CO 0.10 0.46 -0.03 -0.55 -1.23 0.00 0.00 174.94 173.69 5a3h s SER 15 N 0.70 2.80 -1.43 3.58 0.15 -0.25 -4.84 113.70 114.41 5a3h s SER 15 Ca -0.01 -0.68 -0.06 0.00 0.70 0.00 0.00 55.95 55.90 5a3h s SER 15 Cb -0.14 -0.83 0.04 0.00 -1.71 0.00 0.00 66.02 63.38 5a3h s SER 15 CO 0.02 -0.21 0.78 0.59 1.20 0.00 0.00 173.24 175.62 5a3h n ASN 16 N 4.92 -2.58 0.00 5.45 5.03 -1.26 -1.68 115.26 125.14 5a3h n ASN 16 Ca -0.11 -0.84 0.00 0.00 0.87 0.00 0.00 54.58 54.50 5a3h n ASN 16 Cb 0.48 -3.78 0.00 0.00 -1.02 0.00 0.00 39.78 35.46 5a3h n ASN 16 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 5a3h n GLY 17 N -1.67 0.38 3.39 7.41 0.00 -1.26 -4.99 105.19 108.46 5a3h n GLY 17 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 5a3h n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5a3h s GLU 18 N -0.50 1.61 -0.18 1.61 0.41 -0.67 -3.96 118.70 117.02 5a3h s GLU 18 Ca 0.00 -1.23 -0.29 0.00 -0.41 0.00 0.00 54.97 53.03 5a3h s GLU 18 Cb 0.00 -1.97 -0.01 0.00 -1.78 0.00 0.00 34.13 30.38 5a3h s GLU 18 CO 0.00 0.48 1.17 -1.17 -0.49 0.00 0.00 175.26 175.25 5a3h s LEU 19 N -1.78 4.16 0.22 1.80 2.96 -1.26 -1.09 118.68 123.69 5a3h s LEU 19 Ca 0.14 1.58 0.07 0.00 -0.22 0.00 0.00 54.13 55.70 5a3h s LEU 19 Cb -0.10 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 5a3h s LEU 19 CO 0.05 -0.70 -0.12 0.68 -1.32 0.00 0.00 176.35 174.94 5a3h s VAL 20 N 3.24 1.71 0.46 1.68 -7.23 -0.25 -2.10 120.40 117.91 5a3h s VAL 20 Ca 0.51 -2.19 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 5a3h s VAL 20 Cb -0.19 -2.16 0.10 0.00 0.56 0.00 0.00 36.38 34.69 5a3h s VAL 20 CO 0.12 -0.51 0.63 -0.46 -0.31 0.00 0.00 175.10 174.57 5a3h n ASN 21 N -0.44 0.60 0.06 4.85 0.23 0.14 -1.57 115.26 119.14 5a3h n ASN 21 Ca -0.07 -1.56 0.10 0.00 -0.53 0.00 0.00 54.58 52.51 5a3h n ASN 21 Cb 0.61 -0.43 0.41 0.00 -2.08 0.00 0.00 39.78 38.29 5a3h n ASN 21 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 5a3h n GLU 22 N -2.23 0.10 -0.40 -3.83 0.28 -0.53 -1.02 120.64 113.02 5a3h n GLU 22 Ca 0.10 0.31 0.10 0.00 -0.16 0.00 0.00 57.16 57.51 5a3h n GLU 22 Cb 0.34 -1.68 0.31 0.00 1.43 0.00 0.00 31.44 31.84 5a3h n GLU 22 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 5a3h n ARG 23 N -1.86 2.97 -0.98 3.44 1.74 -1.26 -4.98 116.66 115.72 5a3h n ARG 23 Ca 0.03 -2.64 0.00 0.00 -0.77 0.00 0.00 57.85 54.47 5a3h n ARG 23 Cb 0.22 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 5a3h n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 5a3h n GLY 24 N 1.36 0.52 3.83 -0.13 0.00 -0.19 -5.03 105.19 105.56 5a3h n GLY 24 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 5a3h n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5a3h s GLU 25 N -0.25 4.04 0.41 1.61 2.02 -1.26 -4.74 118.70 120.53 5a3h s GLU 25 Ca 0.00 0.55 -0.27 0.00 0.02 0.00 0.00 54.97 55.27 5a3h s GLU 25 Cb 0.00 -3.10 -0.10 0.00 0.10 0.00 0.00 34.13 31.03 5a3h s GLU 25 CO 0.00 0.58 1.47 -0.65 0.02 0.00 0.00 175.26 176.68 5a3h s GLN 26 N -1.48 3.91 0.03 1.61 -0.21 -1.26 -0.68 119.66 121.57 5a3h s GLN 26 Ca 0.32 2.53 0.03 0.00 0.02 0.00 0.00 55.36 58.25 5a3h s GLN 26 Cb -0.17 -2.83 -0.02 0.00 1.00 0.00 0.00 33.01 30.99 5a3h s GLN 26 CO 0.18 -0.67 -0.08 0.14 -2.12 0.00 0.00 175.29 172.73 5a3h s VAL 27 N -1.15 0.63 -0.11 1.09 -7.23 -0.89 -4.83 120.40 107.90 5a3h s VAL 27 Ca 0.56 -0.77 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 5a3h s VAL 27 Cb -0.46 -0.61 0.02 0.00 0.56 0.00 0.00 36.38 35.89 5a3h s VAL 27 CO 0.61 -0.12 -0.15 -1.58 -0.31 0.00 0.00 175.10 173.55 5a3h s GLN 28 N -0.98 2.21 -0.12 4.82 0.74 -1.26 -4.72 119.66 120.35 5a3h s GLN 28 Ca -0.03 -0.55 -0.08 0.00 0.05 0.00 0.00 55.36 54.75 5a3h s GLN 28 Cb -0.07 -1.91 -0.04 0.00 1.10 0.00 0.00 33.01 32.09 5a3h s GLN 28 CO 0.00 -0.10 0.16 -0.51 -0.55 0.00 0.00 175.29 174.30 5a3h s LEU 29 N 1.08 4.37 -0.04 3.68 1.43 -1.26 -4.99 118.68 122.95 5a3h s LEU 29 Ca -0.04 0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 5a3h s LEU 29 Cb -0.14 -2.11 0.03 0.00 0.03 0.00 0.00 46.19 43.99 5a3h s LEU 29 CO -0.03 0.37 0.01 -0.54 0.23 0.00 0.00 176.35 176.40 5a3h s LYS 30 N -0.86 0.29 0.00 1.70 1.02 -1.25 -0.39 119.74 120.26 5a3h s LYS 30 Ca 0.15 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.29 5a3h s LYS 30 Cb -0.12 -0.61 0.00 0.00 -0.52 0.00 0.00 37.83 36.58 5a3h s LYS 30 CO 0.04 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 5a3h n GLY 31 N 4.64 2.65 3.42 -3.33 0.00 -0.32 -2.00 105.19 110.25 5a3h n GLY 31 Ca -0.17 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 5a3h n GLY 31 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 5a3h s MET 32 N 0.60 1.53 -0.02 1.61 -1.94 -1.21 -1.47 119.30 118.40 5a3h s MET 32 Ca 0.00 -1.30 -0.02 0.00 -1.71 0.00 0.00 55.69 52.66 5a3h s MET 32 Cb 0.00 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.83 5a3h s MET 32 CO 0.00 0.46 0.12 0.45 -0.01 0.00 0.00 175.02 176.04 5a3h s SER 33 N -2.12 5.97 1.00 3.03 0.15 0.01 -1.13 113.70 120.62 5a3h s SER 33 Ca 0.16 0.25 -0.12 0.00 0.70 0.00 0.00 55.95 56.93 5a3h s SER 33 Cb -0.10 -1.80 0.19 0.00 -1.71 0.00 0.00 66.02 62.60 5a3h s SER 33 CO 0.08 0.29 1.09 -0.94 1.20 0.00 0.00 173.24 174.95 5a3h s SER 34 N -1.71 2.59 0.26 5.45 1.04 -0.09 -0.76 113.70 120.49 5a3h s SER 34 Ca 0.23 1.31 0.00 0.00 0.48 0.00 0.00 55.95 57.97 5a3h s SER 34 Cb -0.12 -1.99 0.00 0.00 0.10 0.00 0.00 66.02 64.01 5a3h s SER 34 CO 0.14 -3.17 0.00 1.57 0.98 0.00 0.00 173.24 172.76 5a3h n HIS 35 N -4.21 -1.69 -1.72 5.02 -0.00 -1.25 -4.52 115.22 106.85 5a3h n HIS 35 Ca 0.05 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.81 5a3h n HIS 35 Cb 0.56 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.40 5a3h n HIS 35 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 5a3h s GLY 36 N -1.74 1.22 0.56 1.57 0.00 -1.26 -4.36 107.32 103.31 5a3h s GLY 36 Ca 0.00 1.57 0.33 0.00 0.00 0.00 0.00 44.72 46.62 5a3h s GLY 36 CO 0.00 2.94 2.09 1.41 0.00 0.00 0.00 173.10 179.55 5a3h h LEU 37 N 7.18 0.00 -0.12 0.66 3.38 -1.75 -0.56 115.31 124.10 5a3h h LEU 37 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 5a3h h LEU 37 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 5a3h h LEU 37 CO 0.96 0.07 0.00 0.00 0.09 0.00 0.00 178.44 179.56 5a3h n GLN 38 N -3.34 0.08 -0.02 1.13 0.00 -1.26 -3.28 117.38 110.68 5a3h n GLN 38 Ca -0.01 0.20 -0.04 0.00 0.00 0.00 0.00 57.00 57.15 5a3h n GLN 38 Cb 0.24 -1.61 -0.02 0.00 0.00 0.00 0.00 30.24 28.85 5a3h n GLN 38 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 5a3h n TRP 39 N -1.75 0.00 -2.13 2.61 8.01 -0.86 -4.87 117.44 118.45 5a3h n TRP 39 Ca 0.05 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 56.16 5a3h n TRP 39 Cb 0.28 -0.17 0.08 0.00 -2.01 0.00 0.00 31.31 29.48 5a3h n TRP 39 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 5a3h n TYR 40 N -2.85 1.35 0.30 -5.99 4.01 -0.27 -4.84 117.16 108.87 5a3h n TYR 40 Ca -0.08 -1.78 0.18 0.00 -0.16 0.00 0.00 57.90 56.06 5a3h n TYR 40 Cb 0.58 -0.27 0.95 0.00 -0.31 0.00 0.00 39.34 40.29 5a3h n TYR 40 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 5a3h h GLY 41 N 1.79 0.00 2.00 2.72 0.00 -1.71 -2.61 103.07 105.26 5a3h h GLY 41 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 5a3h h GLY 41 CO 0.35 0.00 -0.03 0.06 0.00 0.00 0.00 176.54 176.92 5a3h h GLN 42 N 0.00 0.00 -0.00 4.80 -0.00 -1.88 -1.72 115.11 116.30 5a3h h GLN 42 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 5a3h h GLN 42 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.67 5a3h h GLN 42 CO 0.00 0.03 -0.03 1.19 -0.00 0.00 0.00 178.83 180.03 5a3h n PHE 43 N -3.50 0.00 -3.75 0.06 3.72 -0.98 -4.64 117.46 108.36 5a3h n PHE 43 Ca -0.02 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.00 5a3h n PHE 43 Cb 0.14 -0.09 -0.12 0.00 -0.94 0.00 0.00 39.48 38.47 5a3h n PHE 43 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 5a3h s VAL 44 N -2.21 3.53 0.13 -4.37 1.01 -0.65 -4.77 120.40 113.07 5a3h s VAL 44 Ca 0.38 -1.67 -0.24 0.00 0.00 0.00 0.00 61.98 60.45 5a3h s VAL 44 Cb 0.21 -3.23 0.07 0.00 0.00 0.00 0.00 36.38 33.43 5a3h s VAL 44 CO 0.41 -0.49 0.74 0.54 0.00 0.00 0.00 175.10 176.30 5a3h s ASN 45 N 1.77 -0.41 0.23 3.32 2.20 -1.26 -4.88 114.94 115.91 5a3h s ASN 45 Ca 0.03 -0.16 -0.08 0.00 -0.94 0.00 0.00 52.86 51.72 5a3h s ASN 45 Cb -0.22 0.55 0.37 0.00 -2.00 0.00 0.00 41.25 39.95 5a3h s ASN 45 CO -0.01 -0.93 1.70 0.22 -2.94 0.00 0.00 177.10 175.13 5a3h h TYR 46 N 2.00 0.23 -0.46 1.54 3.20 -1.95 -1.72 116.97 119.82 5a3h h TYR 46 Ca -0.27 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.58 5a3h h TYR 46 Cb 1.27 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 5a3h h TYR 46 CO 0.29 -0.06 0.03 1.49 -1.64 0.00 0.00 178.16 178.28 5a3h h GLU 47 N 0.27 0.79 -0.39 1.82 4.81 -1.95 0.93 114.58 120.85 5a3h h GLU 47 Ca 0.36 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 5a3h h GLU 47 Cb 0.58 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 5a3h h GLU 47 CO -0.46 0.83 -0.33 0.66 -0.73 0.00 0.00 179.01 178.97 5a3h h SER 48 N 0.64 0.94 -0.28 1.04 4.64 -1.48 -0.78 113.55 118.27 5a3h h SER 48 Ca 0.13 -0.40 -0.10 0.00 -0.47 0.00 0.00 61.79 60.95 5a3h h SER 48 Cb 0.45 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 5a3h h SER 48 CO 0.02 1.18 -0.18 -0.03 -0.87 0.00 0.00 176.83 176.95 5a3h h MET 49 N 0.74 0.73 -0.35 4.77 1.85 -1.17 -0.75 114.93 120.76 5a3h h MET 49 Ca 0.07 -0.27 -0.11 0.00 -0.61 0.00 0.00 59.70 58.78 5a3h h MET 49 Cb 0.91 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.88 5a3h h MET 49 CO 0.08 0.86 -0.23 -0.22 -0.40 0.00 0.00 176.91 177.00 5a3h h LYS 50 N 0.65 0.69 -0.40 0.39 3.64 -0.61 -0.42 116.57 120.51 5a3h h LYS 50 Ca 0.10 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.14 5a3h h LYS 50 Cb 0.66 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 5a3h h LYS 50 CO 0.05 0.87 0.01 2.35 -2.27 0.00 0.00 179.45 180.45 5a3h h TRP 51 N 0.61 0.77 -0.63 1.91 2.91 -0.89 -0.48 115.95 120.15 5a3h h TRP 51 Ca 0.08 -0.13 0.02 0.00 1.13 0.00 0.00 58.89 60.00 5a3h h TRP 51 Cb 0.72 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 29.13 5a3h h TRP 51 CO 0.03 0.77 0.39 -0.07 -1.03 0.00 0.00 178.44 178.54 5a3h h LEU 52 N 0.54 0.64 -0.03 0.65 3.38 -0.83 0.11 115.31 119.76 5a3h h LEU 52 Ca 0.12 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 5a3h h LEU 52 Cb 0.46 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 5a3h h LEU 52 CO 0.02 0.45 0.02 -0.09 0.09 0.00 0.00 178.44 178.93 5a3h h ARG 53 N 0.77 0.05 0.18 1.13 2.43 -0.81 -0.82 114.38 117.31 5a3h h ARG 53 Ca 0.25 -0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 59.11 5a3h h ARG 53 Cb 0.00 -0.01 0.03 0.00 -0.42 0.00 0.00 29.97 29.57 5a3h h ARG 53 CO -0.10 0.11 -1.34 -0.44 -1.51 0.00 0.00 179.97 176.70 5a3h h ASP 54 N -0.03 0.74 0.13 -3.80 3.32 -0.91 -2.34 116.42 113.53 5a3h h ASP 54 Ca 0.01 -0.75 -0.36 0.00 0.02 0.00 0.00 57.03 55.95 5a3h h ASP 54 Cb 0.08 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 5a3h h ASP 54 CO -0.00 1.58 -2.16 -0.67 -1.72 0.00 0.00 179.24 176.27 5a3h n ASP 55 N -3.69 1.56 -0.00 6.45 2.03 0.35 -4.45 116.55 118.80 5a3h n ASP 55 Ca -0.13 0.10 -0.02 0.00 0.52 0.00 0.00 54.79 55.26 5a3h n ASP 55 Cb 1.04 -0.32 -0.11 0.00 -0.72 0.00 0.00 41.12 41.01 5a3h n ASP 55 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 5a3h n TRP 56 N -3.23 0.72 -0.63 -0.67 7.02 -0.51 -4.90 117.44 115.24 5a3h n TRP 56 Ca -0.34 0.24 0.00 0.00 -1.02 0.00 0.00 57.50 56.38 5a3h n TRP 56 Cb 1.05 -1.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.91 5a3h n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 5a3h n GLY 57 N 1.46 0.61 3.74 6.99 0.00 -0.43 -2.83 105.19 114.74 5a3h n GLY 57 Ca -0.14 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 5a3h n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 5a3h s ILE 58 N -2.00 2.47 0.00 -0.61 -4.36 -1.05 -4.92 121.20 110.73 5a3h s ILE 58 Ca 0.00 0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.66 5a3h s ILE 58 Cb 0.00 -3.02 0.00 0.00 1.25 0.00 0.00 42.46 40.69 5a3h s ILE 58 CO 0.00 -0.08 0.65 -0.46 0.24 0.00 0.00 174.94 175.29 5a3h n ASN 59 N -1.96 1.00 -3.66 4.36 0.23 -0.85 -4.54 115.26 109.84 5a3h n ASN 59 Ca 0.14 -1.42 -0.15 0.00 -0.53 0.00 0.00 54.58 52.62 5a3h n ASN 59 Cb 0.50 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.12 5a3h n ASN 59 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 5a3h s VAL 60 N -0.42 0.02 -0.03 3.53 0.11 -1.25 -1.78 120.40 120.58 5a3h s VAL 60 Ca 0.00 -0.14 0.03 0.00 -2.93 0.00 0.00 61.98 58.93 5a3h s VAL 60 Cb 0.00 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 5a3h s VAL 60 CO 0.00 -0.08 -0.10 0.12 -3.33 0.00 0.00 175.10 171.72 5a3h s PHE 61 N -0.63 1.00 -0.23 1.54 5.36 -0.36 -3.30 117.98 121.37 5a3h s PHE 61 Ca -0.07 -0.25 -0.05 0.00 -0.96 0.00 0.00 56.93 55.60 5a3h s PHE 61 Cb -0.03 -0.71 -0.01 0.00 -0.34 0.00 0.00 43.02 41.93 5a3h s PHE 61 CO 0.04 -0.10 -0.01 0.50 -1.46 0.00 0.00 175.22 174.19 5a3h s ARG 62 N 0.17 3.46 -0.51 10.12 3.52 -0.28 -0.93 118.95 134.49 5a3h s ARG 62 Ca -0.03 -0.58 -0.20 0.00 -0.13 0.00 0.00 55.73 54.79 5a3h s ARG 62 Cb -0.09 -3.10 0.06 0.00 -1.56 0.00 0.00 34.95 30.26 5a3h s ARG 62 CO 0.01 -0.20 0.66 0.00 -0.81 0.00 0.00 175.30 174.96 5a3h s ALA 63 N 1.52 3.36 -0.92 6.12 0.00 -0.41 -0.91 121.76 130.52 5a3h s ALA 63 Ca 0.06 -1.67 -0.20 0.00 0.00 0.00 0.00 51.96 50.15 5a3h s ALA 63 Cb -0.14 -3.39 0.11 0.00 0.00 0.00 0.00 23.12 19.69 5a3h s ALA 63 CO -0.01 -2.04 1.17 0.00 0.00 0.00 0.00 175.76 174.87 5a3h s ALA 64 N 2.78 3.22 -0.93 0.00 0.00 -1.26 -2.00 121.76 123.57 5a3h s ALA 64 Ca 0.17 -2.58 -0.18 0.00 0.00 0.00 0.00 51.96 49.37 5a3h s ALA 64 Cb -0.18 -4.12 0.14 0.00 0.00 0.00 0.00 23.12 18.96 5a3h s ALA 64 CO 0.13 -3.08 1.12 1.41 0.00 0.00 0.00 175.76 175.34 5a3h s MET 65 N 3.25 3.62 0.45 0.00 1.75 -0.58 -2.01 119.30 125.78 5a3h s MET 65 Ca 0.34 -1.84 -0.24 0.00 -1.25 0.00 0.00 55.69 52.71 5a3h s MET 65 Cb -0.05 -4.89 -0.09 0.00 2.84 0.00 0.00 34.83 32.63 5a3h s MET 65 CO -0.08 -1.74 1.12 0.66 -0.65 0.00 0.00 175.02 174.33 5a3h n TYR 66 N 6.35 1.53 -0.12 4.11 4.02 -1.26 -0.94 117.16 130.86 5a3h n TYR 66 Ca 0.24 0.51 -0.24 0.00 -0.01 0.00 0.00 57.90 58.40 5a3h n TYR 66 Cb 0.49 -2.28 -0.11 0.00 -0.02 0.00 0.00 39.34 37.42 5a3h n TYR 66 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 5a3h n THR 67 N -0.58 1.53 -1.71 -0.72 -2.24 -1.13 -0.71 114.28 108.71 5a3h n THR 67 Ca 0.09 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 5a3h n THR 67 Cb 0.41 -2.00 0.00 0.00 -2.10 0.00 0.00 70.33 66.64 5a3h n THR 67 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 5a3h n SER 68 N -4.38 0.00 -3.88 3.42 2.88 -1.26 -1.18 113.62 109.21 5a3h n SER 68 Ca -0.39 -0.18 -0.26 0.00 -1.33 0.00 0.00 58.87 56.71 5a3h n SER 68 Cb 0.74 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.21 5a3h n SER 68 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 5a3h n SER 69 N -0.53 -2.08 0.00 -3.46 7.64 -1.26 -1.04 113.62 112.89 5a3h n SER 69 Ca 0.00 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 59.00 5a3h n SER 69 Cb 0.00 -3.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.61 5a3h n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 5a3h n GLY 70 N -1.70 0.53 0.00 0.23 0.00 -1.26 -5.02 105.19 97.96 5a3h n GLY 70 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 5a3h n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5a3h n GLY 71 N -2.56 0.37 0.34 -0.02 0.00 -0.21 -4.47 105.19 98.64 5a3h n GLY 71 Ca 0.00 -1.49 0.07 0.00 0.00 0.00 0.00 46.02 44.60 5a3h n GLY 71 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 5a3h h TYR 72 N -0.01 1.03 -0.09 1.61 3.20 -0.67 0.35 116.97 122.39 5a3h h TYR 72 Ca 0.00 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 5a3h h TYR 72 Cb 0.00 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.94 5a3h h TYR 72 CO 0.00 0.36 -0.43 0.82 -1.64 0.00 0.00 178.16 177.27 5a3h h ILE 73 N 0.87 1.32 0.14 1.81 1.08 -1.42 -2.28 117.51 119.02 5a3h h ILE 73 Ca 0.49 -1.56 -0.31 0.00 -0.39 0.00 0.00 64.86 63.09 5a3h h ILE 73 Cb 0.56 1.72 -0.00 0.00 -3.07 0.00 0.00 36.82 36.03 5a3h h ILE 73 CO -0.30 0.46 -1.55 0.44 -0.69 0.00 0.00 178.15 176.51 5a3h h ASP 74 N 0.18 0.46 -2.10 1.72 3.32 -1.49 -3.43 116.42 115.08 5a3h h ASP 74 Ca 0.01 -0.62 -0.33 0.00 0.02 0.00 0.00 57.03 56.11 5a3h h ASP 74 Cb 0.84 -0.15 -0.33 0.00 0.22 0.00 0.00 39.33 39.91 5a3h h ASP 74 CO 0.07 1.52 -0.64 -0.62 -1.72 0.00 0.00 179.24 177.84 5a3h s ASP 75 N -7.08 1.55 0.00 6.45 -1.08 0.03 -5.03 116.67 111.52 5a3h s ASP 75 Ca -0.10 -0.85 0.19 0.00 -0.52 0.00 0.00 52.55 51.27 5a3h s ASP 75 Cb 0.06 0.54 0.94 0.00 -1.46 0.00 0.00 42.92 43.00 5a3h s ASP 75 CO 0.86 -0.37 1.58 -0.81 0.52 0.00 0.00 175.17 176.95 5a3h n PRO 76 N 5.18 0.25 0.28 4.34 -0.04 -0.86 -3.34 135.00 140.80 5a3h n PRO 76 Ca -0.00 0.11 0.16 0.00 -0.04 0.00 0.00 63.50 63.73 5a3h n PRO 76 Cb 0.46 -1.50 0.92 0.00 -0.04 0.00 0.00 33.50 33.34 5a3h n PRO 76 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 5a3h h SER 77 N 0.00 0.00 0.05 3.54 4.64 -1.93 -0.61 113.55 119.24 5a3h h SER 77 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 5a3h h SER 77 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 5a3h h SER 77 CO 0.00 0.00 -0.00 1.62 -0.87 0.00 0.00 176.83 177.58 5a3h h VAL 78 N 0.00 0.07 -0.14 0.95 3.04 -1.93 -1.31 116.25 116.93 5a3h h VAL 78 Ca 0.02 -0.03 -0.00 0.00 -1.01 0.00 0.00 66.70 65.68 5a3h h VAL 78 Cb 0.10 1.03 -0.01 0.00 -2.01 0.00 0.00 31.29 30.40 5a3h h VAL 78 CO -0.00 0.00 0.08 0.07 -1.01 0.00 0.00 177.57 176.71 5a3h h LYS 79 N 0.00 0.19 -0.25 4.17 2.10 -1.40 -1.54 116.57 119.84 5a3h h LYS 79 Ca -0.00 -0.01 -0.04 0.00 -2.00 0.00 0.00 60.65 58.60 5a3h h LYS 79 Cb 0.03 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 5a3h h LYS 79 CO 0.00 0.14 -0.01 0.93 -2.00 0.00 0.00 179.45 178.51 5a3h h GLU 80 N 0.19 0.37 -0.31 0.07 4.39 -1.44 -1.71 114.58 116.15 5a3h h GLU 80 Ca 0.05 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 5a3h h GLU 80 Cb 0.00 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 5a3h h GLU 80 CO -0.01 0.41 -0.40 -0.22 -1.16 0.00 0.00 179.01 177.63 5a3h h LYS 81 N 0.37 0.75 -0.34 2.33 1.63 -1.43 -1.32 116.57 118.55 5a3h h LYS 81 Ca 0.08 -0.39 0.05 0.00 -0.85 0.00 0.00 60.65 59.54 5a3h h LYS 81 Cb 0.26 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.86 5a3h h LYS 81 CO 0.01 1.02 0.08 0.28 -3.45 0.00 0.00 179.45 177.38 5a3h h VAL 82 N 0.61 0.84 -0.79 2.00 2.07 -1.20 -1.00 116.25 118.78 5a3h h VAL 82 Ca 0.05 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.54 5a3h h VAL 82 Cb 0.95 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 5a3h h VAL 82 CO 0.09 0.04 0.50 0.11 0.02 0.00 0.00 177.57 178.33 5a3h h LYS 83 N 0.20 0.94 -0.82 1.57 1.57 -1.06 -0.42 116.57 118.57 5a3h h LYS 83 Ca 0.16 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 5a3h h LYS 83 Cb 0.17 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 5a3h h LYS 83 CO -0.20 0.62 0.50 1.49 -0.57 0.00 0.00 179.45 181.29 5a3h h GLU 84 N 0.97 1.10 -0.59 3.15 4.81 -0.80 -0.00 114.58 123.22 5a3h h GLU 84 Ca 0.32 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.37 5a3h h GLU 84 Cb 0.04 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 5a3h h GLU 84 CO -0.12 0.77 0.05 0.00 -0.73 0.00 0.00 179.01 178.98 5a3h h ALA 85 N 1.27 0.79 -0.40 2.92 0.00 -0.40 -0.44 119.26 123.00 5a3h h ALA 85 Ca 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 5a3h h ALA 85 Cb -0.05 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 5a3h h ALA 85 CO -0.06 0.59 0.16 0.28 0.00 0.00 0.00 179.25 180.22 5a3h h VAL 86 N 0.91 1.20 -0.56 0.00 2.07 -0.60 -0.88 116.25 118.39 5a3h h VAL 86 Ca 0.17 -0.62 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 5a3h h VAL 86 Cb 0.49 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 5a3h h VAL 86 CO 0.02 0.22 0.01 -0.33 0.02 0.00 0.00 177.57 177.51 5a3h h GLU 87 N 0.51 0.95 -0.51 1.57 5.08 -0.79 -0.95 114.58 120.44 5a3h h GLU 87 Ca 0.13 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 5a3h h GLU 87 Cb 0.20 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 5a3h h GLU 87 CO -0.01 0.93 0.21 0.00 -1.00 0.00 0.00 179.01 179.14 5a3h h ALA 88 N 1.12 0.66 -0.80 3.43 0.00 -0.78 0.22 119.26 123.12 5a3h h ALA 88 Ca 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 5a3h h ALA 88 Cb 0.50 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 5a3h h ALA 88 CO 0.02 0.26 0.37 0.00 0.00 0.00 0.00 179.25 179.90 5a3h h ALA 89 N 1.06 1.14 -0.39 0.00 0.00 -0.55 -0.05 119.26 120.47 5a3h h ALA 89 Ca 0.17 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 5a3h h ALA 89 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 5a3h h ALA 89 CO -0.02 0.64 0.06 0.82 0.00 0.00 0.00 179.25 180.76 5a3h h ILE 90 N 1.14 1.24 -0.25 0.00 2.04 -0.81 0.09 117.51 120.96 5a3h h ILE 90 Ca 0.27 -0.86 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 5a3h h ILE 90 Cb 0.14 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 5a3h h ILE 90 CO -0.03 0.29 -0.06 0.44 0.00 0.00 0.00 178.15 178.79 5a3h h ASP 91 N 0.50 0.37 0.06 1.72 3.32 -0.39 -2.64 116.42 119.35 5a3h h ASP 91 Ca 0.12 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.10 5a3h h ASP 91 Cb 0.37 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.82 5a3h h ASP 91 CO 0.01 0.48 -0.17 0.18 -1.72 0.00 0.00 179.24 178.02 5a3h n LEU 92 N -4.28 1.76 -3.57 1.55 4.77 -0.08 -4.97 117.00 112.17 5a3h n LEU 92 Ca 0.00 -0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 55.20 5a3h n LEU 92 Cb 0.26 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.38 5a3h n LEU 92 CO 0.38 0.31 0.11 -0.67 -1.33 0.00 0.00 177.39 176.19 5a3h n ASP 93 N 0.12 -3.16 -4.46 -1.43 2.03 -0.09 -4.62 116.55 104.95 5a3h n ASP 93 Ca 0.14 -0.66 -0.22 0.00 0.52 0.00 0.00 54.79 54.57 5a3h n ASP 93 Cb 0.42 -4.76 -0.11 0.00 -0.72 0.00 0.00 41.12 35.96 5a3h n ASP 93 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 5a3h s ILE 94 N -3.41 1.47 0.57 5.18 -4.36 -0.57 -2.10 121.20 117.98 5a3h s ILE 94 Ca 0.20 -2.05 -0.14 0.00 -0.26 0.00 0.00 60.65 58.41 5a3h s ILE 94 Cb -0.09 -2.67 -0.06 0.00 1.25 0.00 0.00 42.46 40.89 5a3h s ILE 94 CO 0.76 -0.13 1.01 -0.31 0.24 0.00 0.00 174.94 176.50 5a3h s TYR 95 N -3.11 3.54 -0.03 1.37 2.02 -0.74 -4.43 117.35 115.97 5a3h s TYR 95 Ca 0.33 1.38 -0.01 0.00 -0.37 0.00 0.00 57.07 58.40 5a3h s TYR 95 Cb 0.07 -2.76 0.02 0.00 -0.40 0.00 0.00 41.96 38.89 5a3h s TYR 95 CO 0.14 -0.54 0.06 0.54 -1.57 0.00 0.00 175.55 174.18 5a3h s VAL 96 N -2.90 -0.03 -0.22 0.71 0.11 -0.06 -1.22 120.40 116.79 5a3h s VAL 96 Ca 0.57 0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 59.65 5a3h s VAL 96 Cb -0.11 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 5a3h s VAL 96 CO 0.43 0.04 0.06 -0.63 -3.33 0.00 0.00 175.10 171.67 5a3h s ILE 97 N 0.58 4.39 -0.50 7.04 1.01 -0.11 -0.92 121.20 132.68 5a3h s ILE 97 Ca -0.05 -0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.25 5a3h s ILE 97 Cb -0.06 -3.02 0.05 0.00 0.01 0.00 0.00 42.46 39.43 5a3h s ILE 97 CO -0.02 0.38 0.66 -0.63 0.00 0.00 0.00 174.94 175.33 5a3h s ILE 98 N 1.20 4.82 -0.29 2.92 1.01 -0.26 -1.29 121.20 129.31 5a3h s ILE 98 Ca 0.04 -0.35 -0.08 0.00 0.00 0.00 0.00 60.65 60.26 5a3h s ILE 98 Cb -0.14 -4.31 -0.00 0.00 0.01 0.00 0.00 42.46 38.01 5a3h s ILE 98 CO 0.03 -0.81 0.10 -0.62 0.00 0.00 0.00 174.94 173.64 5a3h s ASP 99 N 2.63 5.26 -0.97 3.58 2.15 -0.85 -0.32 116.67 128.16 5a3h s ASP 99 Ca 0.17 -0.56 -0.23 0.00 0.43 0.00 0.00 52.55 52.37 5a3h s ASP 99 Cb -0.18 -1.93 0.06 0.00 -0.30 0.00 0.00 42.92 40.58 5a3h s ASP 99 CO 0.13 -0.16 1.36 0.86 -0.17 0.00 0.00 175.17 177.19 5a3h s TRP 100 N 1.56 2.62 -1.24 -5.34 -0.11 -0.36 -1.52 118.94 114.55 5a3h s TRP 100 Ca 0.04 -0.86 -0.13 0.00 1.22 0.00 0.00 56.10 56.36 5a3h s TRP 100 Cb -0.17 -4.60 0.16 0.00 -1.50 0.00 0.00 33.47 27.36 5a3h s TRP 100 CO 0.04 -1.86 1.55 1.58 -4.62 0.00 0.00 176.95 173.63 5a3h n HIS 101 N 8.47 4.63 -2.51 5.86 -0.00 -0.12 -1.83 115.22 129.72 5a3h n HIS 101 Ca 0.27 -3.22 -0.35 0.00 0.46 0.00 0.00 57.72 54.89 5a3h n HIS 101 Cb 0.50 -2.21 -0.03 0.00 -0.12 0.00 0.00 29.99 28.13 5a3h n HIS 101 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 5a3h s ILE 102 N 1.69 3.70 0.00 3.57 -4.36 -1.26 -2.85 121.20 121.69 5a3h s ILE 102 Ca 0.44 1.10 0.00 0.00 -0.26 0.00 0.00 60.65 61.93 5a3h s ILE 102 Cb -0.00 -3.47 0.00 0.00 1.25 0.00 0.00 42.46 40.24 5a3h s ILE 102 CO 0.01 -0.19 0.00 -0.11 0.24 0.00 0.00 174.94 174.89 5a3h n LEU 103 N -0.84 0.00 0.24 0.37 7.94 -1.26 -3.23 117.00 120.22 5a3h n LEU 103 Ca 0.09 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 55.06 5a3h n LEU 103 Cb 0.52 0.00 0.57 0.00 0.53 0.00 0.00 43.42 45.04 5a3h n LEU 103 CO 0.41 0.00 0.95 0.77 -1.11 0.00 0.00 177.39 178.41 5a3h h SER 104 N 0.00 0.00 -1.23 1.96 4.64 -1.92 -3.08 113.55 113.92 5a3h h SER 104 Ca 0.00 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.61 5a3h h SER 104 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 5a3h h SER 104 CO 0.00 0.13 2.04 -0.90 -0.87 0.00 0.00 176.83 177.23 5a3h n ASP 105 N -4.27 4.90 0.24 4.97 5.75 -1.26 -4.82 116.55 122.06 5a3h n ASP 105 Ca -0.03 -2.95 0.14 0.00 -0.01 0.00 0.00 54.79 51.95 5a3h n ASP 105 Cb 0.20 -1.65 0.40 0.00 -1.03 0.00 0.00 41.12 39.05 5a3h n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 5a3h h ASN 106 N 6.98 0.00 -3.42 -1.12 -1.07 -1.84 -3.40 115.58 111.71 5a3h h ASN 106 Ca 0.42 0.00 -0.63 0.00 0.07 0.00 0.00 56.30 56.15 5a3h h ASN 106 Cb 0.81 0.00 -0.20 0.00 -2.07 0.00 0.00 38.32 36.86 5a3h h ASN 106 CO 1.47 0.00 -0.62 -0.62 0.07 0.00 0.00 177.43 177.74 5a3h s ASP 107 N -5.90 5.20 0.65 6.14 -1.08 -1.26 -1.36 116.67 119.07 5a3h s ASP 107 Ca 0.05 -0.08 0.42 0.00 -0.52 0.00 0.00 52.55 52.42 5a3h s ASP 107 Cb 0.07 -1.90 2.29 0.00 -1.46 0.00 0.00 42.92 41.93 5a3h s ASP 107 CO 0.61 0.10 2.33 1.55 0.52 0.00 0.00 175.17 180.28 5a3h h PRO 108 N 7.24 0.00 0.00 4.34 0.13 -1.91 -1.90 132.00 139.89 5a3h h PRO 108 Ca -0.36 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.76 5a3h h PRO 108 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 5a3h h PRO 108 CO 0.64 0.00 -0.06 -0.91 -0.23 0.00 0.00 178.00 177.44 5a3h h ASN 109 N 0.00 0.00 -0.25 1.44 2.35 -1.94 -3.18 115.58 113.99 5a3h h ASN 109 Ca -0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 5a3h h ASN 109 Cb 0.04 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.34 5a3h h ASN 109 CO 0.00 0.06 -0.20 0.40 -1.65 0.00 0.00 177.43 176.05 5a3h h ILE 110 N 0.00 0.47 -0.85 2.81 2.04 -1.71 -2.82 117.51 117.43 5a3h h ILE 110 Ca -0.00 0.00 -0.58 0.00 1.00 0.00 0.00 64.86 65.27 5a3h h ILE 110 Cb 0.58 0.47 -0.33 0.00 -0.74 0.00 0.00 36.82 36.79 5a3h h ILE 110 CO 0.01 0.00 0.15 -1.22 0.00 0.00 0.00 178.15 177.08 5a3h n TYR 111 N -5.35 2.88 0.01 1.37 4.01 -1.23 -4.80 117.16 114.04 5a3h n TYR 111 Ca -0.01 -2.57 -0.01 0.00 -0.16 0.00 0.00 57.90 55.15 5a3h n TYR 111 Cb 0.27 -0.94 0.26 0.00 -0.31 0.00 0.00 39.34 38.62 5a3h n TYR 111 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 5a3h h LYS 112 N 1.95 0.50 -0.36 -0.72 2.10 -1.48 -0.67 116.57 117.90 5a3h h LYS 112 Ca 0.49 -0.14 -0.07 0.00 -2.00 0.00 0.00 60.65 58.93 5a3h h LYS 112 Cb 1.24 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 5a3h h LYS 112 CO 1.16 0.61 -0.05 0.93 -2.00 0.00 0.00 179.45 180.10 5a3h h GLU 113 N 0.47 0.66 -0.46 0.07 4.39 -1.87 0.30 114.58 118.14 5a3h h GLU 113 Ca 0.09 -0.24 -0.07 0.00 0.34 0.00 0.00 59.36 59.49 5a3h h GLU 113 Cb 0.47 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 5a3h h GLU 113 CO 0.03 0.80 0.01 0.93 -1.16 0.00 0.00 179.01 179.62 5a3h h GLU 114 N 0.46 0.75 -0.62 2.33 3.07 -1.87 -2.32 114.58 116.38 5a3h h GLU 114 Ca 0.09 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 58.73 5a3h h GLU 114 Cb 0.54 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 5a3h h GLU 114 CO 0.03 0.75 0.24 0.00 -1.40 0.00 0.00 179.01 178.63 5a3h h ALA 115 N 1.31 0.81 -0.60 3.43 0.00 -0.69 -0.56 119.26 122.96 5a3h h ALA 115 Ca 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 5a3h h ALA 115 Cb 0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 5a3h h ALA 115 CO 0.02 0.43 0.22 0.87 0.00 0.00 0.00 179.25 180.78 5a3h h LYS 116 N 0.87 0.91 -0.49 0.00 1.57 -0.72 0.15 116.57 118.87 5a3h h LYS 116 Ca 0.21 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 5a3h h LYS 116 Cb 0.22 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 5a3h h LYS 116 CO -0.02 0.80 0.10 -0.44 -0.57 0.00 0.00 179.45 179.32 5a3h h ASP 117 N 0.84 0.76 0.25 0.86 3.32 -1.22 -0.09 116.42 121.15 5a3h h ASP 117 Ca 0.20 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 5a3h h ASP 117 Cb 0.24 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.59 5a3h h ASP 117 CO -0.01 0.81 -0.12 0.15 -1.72 0.00 0.00 179.24 178.35 5a3h h PHE 118 N 0.68 -0.32 0.00 4.55 3.57 -0.91 -1.98 116.94 122.53 5a3h h PHE 118 Ca 0.15 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 5a3h h PHE 118 Cb 0.36 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 5a3h h PHE 118 CO 0.02 -0.16 -0.24 0.74 -2.23 0.00 0.00 178.31 176.45 5a3h h PHE 119 N -0.39 0.00 -0.22 0.41 0.04 -0.63 -0.88 116.94 115.27 5a3h h PHE 119 Ca -0.03 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 5a3h h PHE 119 Cb 0.30 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 5a3h h PHE 119 CO -0.05 0.24 0.09 0.22 -0.60 0.00 0.00 178.31 178.21 5a3h h ASP 120 N 0.00 0.30 -0.29 2.17 3.58 -0.90 -1.16 116.42 120.12 5a3h h ASP 120 Ca -0.00 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.27 5a3h h ASP 120 Cb 0.57 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 5a3h h ASP 120 CO 0.03 0.38 0.11 -0.08 -2.88 0.00 0.00 179.24 176.80 5a3h h GLU 121 N 0.21 0.44 -0.42 0.28 4.81 -1.08 0.30 114.58 119.12 5a3h h GLU 121 Ca 0.07 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 5a3h h GLU 121 Cb 0.17 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 5a3h h GLU 121 CO -0.01 0.47 -0.03 0.52 -0.73 0.00 0.00 179.01 179.24 5a3h h MET 122 N 0.32 0.75 0.00 1.92 2.86 -1.12 -1.13 114.93 118.54 5a3h h MET 122 Ca 0.10 -0.26 -0.12 0.00 -2.06 0.00 0.00 59.70 57.37 5a3h h MET 122 Cb 0.20 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 5a3h h MET 122 CO -0.01 0.85 -0.55 0.66 1.06 0.00 0.00 176.91 178.92 5a3h h SER 123 N 0.58 0.00 -0.39 1.22 4.64 -1.11 -0.86 113.55 117.63 5a3h h SER 123 Ca 0.11 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 5a3h h SER 123 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 5a3h h SER 123 CO 0.03 0.55 -0.16 -0.08 -0.87 0.00 0.00 176.83 176.30 5a3h h GLU 124 N 0.00 0.80 -0.17 4.77 4.81 -0.73 0.34 114.58 124.41 5a3h h GLU 124 Ca -0.01 -0.34 -0.04 0.00 -0.13 0.00 0.00 59.36 58.85 5a3h h GLU 124 Cb 1.05 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 5a3h h GLU 124 CO 0.07 0.96 -0.03 -0.07 -0.73 0.00 0.00 179.01 179.21 5a3h h LEU 125 N 0.61 0.32 -2.68 1.64 3.38 -1.02 -3.38 115.31 114.18 5a3h h LEU 125 Ca 0.09 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.71 5a3h h LEU 125 Cb 0.70 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.37 5a3h h LEU 125 CO 0.05 0.60 0.00 -1.22 0.09 0.00 0.00 178.44 177.96 5a3h n TYR 126 N -4.68 0.05 0.29 1.13 4.01 -0.34 -4.71 117.16 112.90 5a3h n TYR 126 Ca -0.05 -0.42 0.17 0.00 -0.16 0.00 0.00 57.90 57.44 5a3h n TYR 126 Cb 0.25 -0.04 0.83 0.00 -0.31 0.00 0.00 39.34 40.07 5a3h n TYR 126 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 5a3h h GLY 127 N 0.27 0.00 -3.24 2.72 0.00 -1.07 -1.66 103.07 100.10 5a3h h GLY 127 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 5a3h h GLY 127 CO 0.00 0.00 0.34 1.34 0.00 0.00 0.00 176.54 178.22 5a3h n ASP 128 N -2.71 3.56 -4.33 0.19 2.03 -1.26 -4.73 116.55 109.29 5a3h n ASP 128 Ca -0.01 -3.70 -0.30 0.00 0.52 0.00 0.00 54.79 51.29 5a3h n ASP 128 Cb 0.13 -0.76 -0.15 0.00 -0.72 0.00 0.00 41.12 39.62 5a3h n ASP 128 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 5a3h s TYR 129 N -3.33 2.31 -0.84 -0.67 1.51 -0.63 -5.03 117.35 110.67 5a3h s TYR 129 Ca 0.53 -0.42 0.27 0.00 -1.01 0.00 0.00 57.07 56.43 5a3h s TYR 129 Cb 0.45 -1.41 0.99 0.00 -0.11 0.00 0.00 41.96 41.88 5a3h s TYR 129 CO 0.05 0.08 1.83 -0.35 -1.11 0.00 0.00 175.55 176.05 5a3h n PRO 130 N 1.96 0.14 0.20 -1.71 -0.04 -1.26 -4.01 135.00 130.29 5a3h n PRO 130 Ca -0.17 0.14 0.05 0.00 -0.04 0.00 0.00 63.50 63.48 5a3h n PRO 130 Cb 0.52 -1.67 0.42 0.00 -0.04 0.00 0.00 33.50 32.72 5a3h n PRO 130 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 5a3h h ASN 131 N 0.00 0.00 -3.48 3.54 4.21 -1.88 -3.43 115.58 114.54 5a3h h ASN 131 Ca 0.00 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.98 5a3h h ASN 131 Cb 0.61 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.79 5a3h h ASN 131 CO 0.00 0.33 0.36 -0.69 -1.29 0.00 0.00 177.43 176.14 5a3h s VAL 132 N -4.04 4.69 -0.11 2.81 1.01 -1.26 -0.88 120.40 122.62 5a3h s VAL 132 Ca -0.02 2.06 0.01 0.00 0.00 0.00 0.00 61.98 64.03 5a3h s VAL 132 Cb 0.13 -4.32 0.02 0.00 0.00 0.00 0.00 36.38 32.21 5a3h s VAL 132 CO 0.69 0.24 -0.14 -0.63 0.00 0.00 0.00 175.10 175.26 5a3h s ILE 133 N 0.51 1.39 -0.17 2.22 1.01 -0.10 -4.20 121.20 121.86 5a3h s ILE 133 Ca 0.49 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 60.43 5a3h s ILE 133 Cb -0.22 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 5a3h s ILE 133 CO 0.29 0.42 0.31 -0.31 0.00 0.00 0.00 174.94 175.65 5a3h s TYR 134 N 1.10 3.43 -0.35 3.97 2.02 -0.45 -1.11 117.35 125.97 5a3h s TYR 134 Ca -0.05 0.58 -0.00 0.00 -0.37 0.00 0.00 57.07 57.23 5a3h s TYR 134 Cb -0.14 -2.38 0.09 0.00 -0.40 0.00 0.00 41.96 39.12 5a3h s TYR 134 CO -0.03 0.17 0.08 -2.00 -1.57 0.00 0.00 175.55 172.20 5a3h s GLU 135 N 0.69 2.01 0.18 -0.62 2.12 0.57 0.22 118.70 123.87 5a3h s GLU 135 Ca 0.17 -1.64 0.26 0.00 0.36 0.00 0.00 54.97 54.12 5a3h s GLU 135 Cb -0.13 -3.32 0.77 0.00 0.26 0.00 0.00 34.13 31.71 5a3h s GLU 135 CO 0.05 -0.87 1.72 0.44 -0.54 0.00 0.00 175.26 176.06 5a3h n ILE 136 N 4.50 0.52 -3.07 -3.70 -5.35 -1.04 -1.22 119.36 110.00 5a3h n ILE 136 Ca -0.05 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 5a3h n ILE 136 Cb 0.42 -0.51 -0.00 0.00 -1.74 0.00 0.00 39.64 37.81 5a3h n ILE 136 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 5a3h s ALA 137 N -3.10 -2.63 0.00 -1.28 0.00 -1.25 -4.72 121.76 108.77 5a3h s ALA 137 Ca 0.10 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.31 5a3h s ALA 137 Cb 0.13 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.47 5a3h s ALA 137 CO 0.61 -2.26 0.71 -1.71 0.00 0.00 0.00 175.76 173.11 5a3h n ASN 138 N 4.03 0.00 -3.44 0.00 5.15 -0.76 -3.19 115.26 117.05 5a3h n ASN 138 Ca 0.12 0.71 -0.28 0.00 -0.60 0.00 0.00 54.58 54.53 5a3h n ASN 138 Cb 0.58 -0.31 -0.11 0.00 -0.53 0.00 0.00 39.78 39.40 5a3h n ASN 138 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 5a3h s GLU 139 N -2.58 0.80 0.36 1.20 2.02 -1.20 -4.63 118.70 114.67 5a3h s GLU 139 Ca 0.00 -1.81 -0.27 0.00 0.02 0.00 0.00 54.97 52.91 5a3h s GLU 139 Cb 0.00 -1.44 -0.12 0.00 0.10 0.00 0.00 34.13 32.67 5a3h s GLU 139 CO 0.00 -1.31 1.22 -2.30 0.02 0.00 0.00 175.26 172.89 5a3h n PRO 140 N 3.34 1.91 -3.81 0.39 -0.02 -1.25 -4.52 135.00 131.03 5a3h n PRO 140 Ca 0.22 0.67 -0.09 0.00 -2.02 0.00 0.00 63.50 62.28 5a3h n PRO 140 Cb 0.43 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 5a3h n PRO 140 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 5a3h s ASN 141 N -0.43 -0.23 0.00 2.55 2.20 -0.46 -0.58 114.94 117.99 5a3h s ASN 141 Ca 0.58 -0.58 0.00 0.00 -0.94 0.00 0.00 52.86 51.91 5a3h s ASN 141 Cb -0.57 0.61 0.00 0.00 -2.00 0.00 0.00 41.25 39.29 5a3h s ASN 141 CO 0.61 -1.13 0.00 0.61 -2.94 0.00 0.00 177.10 174.25 5a3h n GLY 142 N -0.37 2.51 0.23 0.45 0.00 -1.26 -4.52 105.19 102.22 5a3h n GLY 142 Ca -0.07 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.29 5a3h n GLY 142 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 5a3h h SER 143 N 0.00 0.00 -0.22 1.61 0.02 -2.01 -2.68 113.55 110.28 5a3h h SER 143 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 5a3h h SER 143 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 5a3h h SER 143 CO 0.00 0.20 0.00 -0.90 -1.14 0.00 0.00 176.83 174.99 5a3h n ASP 144 N -4.04 1.47 -4.04 3.07 5.75 -1.26 -4.70 116.55 112.81 5a3h n ASP 144 Ca -0.02 -1.83 -0.32 0.00 -0.01 0.00 0.00 54.79 52.61 5a3h n ASP 144 Cb 0.28 -0.14 -0.14 0.00 -1.03 0.00 0.00 41.12 40.09 5a3h n ASP 144 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 5a3h s VAL 145 N -1.72 2.58 0.31 2.12 1.01 -1.01 -4.94 120.40 118.74 5a3h s VAL 145 Ca 0.26 -2.43 0.08 0.00 0.00 0.00 0.00 61.98 59.89 5a3h s VAL 145 Cb 0.13 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 5a3h s VAL 145 CO 0.19 -0.65 0.16 0.42 0.00 0.00 0.00 175.10 175.22 5a3h s THR 146 N 0.77 3.54 0.08 3.92 -4.23 -1.26 -4.70 115.64 113.75 5a3h s THR 146 Ca 0.11 -1.60 -0.31 0.00 -1.18 0.00 0.00 61.69 58.72 5a3h s THR 146 Cb -0.21 -3.09 -0.17 0.00 1.34 0.00 0.00 72.50 70.37 5a3h s THR 146 CO -0.06 -0.25 1.65 -0.25 -0.54 0.00 0.00 174.62 175.17 5a3h h TRP 147 N 1.53 -0.67 -0.46 3.99 2.91 -1.96 -0.13 115.95 121.16 5a3h h TRP 147 Ca -0.45 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 59.46 5a3h h TRP 147 Cb 1.25 0.23 -0.02 0.00 -0.51 0.00 0.00 29.16 30.11 5a3h h TRP 147 CO 0.60 -0.41 -0.09 0.78 -1.03 0.00 0.00 178.44 178.29 5a3h h GLY 148 N -0.70 0.88 0.74 2.65 0.00 -1.96 0.15 103.07 104.83 5a3h h GLY 148 Ca -0.06 -0.65 -0.31 0.00 0.00 0.00 0.00 47.33 46.30 5a3h h GLY 148 CO 0.10 0.60 -1.88 0.70 0.00 0.00 0.00 176.54 176.06 5a3h n ASN 149 N -4.17 0.70 -0.00 0.19 3.02 -1.22 -4.56 115.26 109.23 5a3h n ASN 149 Ca 0.02 0.31 -0.01 0.00 -0.03 0.00 0.00 54.58 54.87 5a3h n ASN 149 Cb 0.36 0.17 -0.00 0.00 -0.61 0.00 0.00 39.78 39.69 5a3h n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 5a3h n GLN 150 N -2.99 0.02 -0.03 3.52 3.00 -0.35 -4.76 117.38 115.79 5a3h n GLN 150 Ca -0.21 0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.65 5a3h n GLN 150 Cb 1.08 -0.57 -0.11 0.00 0.00 0.00 0.00 30.24 30.64 5a3h n GLN 150 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 5a3h h ILE 151 N -0.02 1.54 -0.22 5.09 2.04 -0.98 -2.59 117.51 122.36 5a3h h ILE 151 Ca -0.02 -1.72 -0.01 0.00 1.00 0.00 0.00 64.86 64.12 5a3h h ILE 151 Cb 1.02 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.73 5a3h h ILE 151 CO -0.01 0.46 0.12 0.50 0.00 0.00 0.00 178.15 179.21 5a3h h LYS 152 N -0.57 0.30 -0.84 2.37 3.64 -0.94 -0.68 116.57 119.86 5a3h h LYS 152 Ca -0.01 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 5a3h h LYS 152 Cb 0.80 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 5a3h h LYS 152 CO 0.02 0.29 0.48 -1.35 -2.27 0.00 0.00 179.45 176.62 5a3h h PRO 153 N 0.24 1.15 -0.02 1.90 0.11 -1.77 0.92 132.00 134.53 5a3h h PRO 153 Ca 0.08 -0.12 0.02 0.00 0.11 0.00 0.00 66.00 66.09 5a3h h PRO 153 Cb 0.08 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 5a3h h PRO 153 CO -0.01 0.82 -0.09 -0.92 -0.21 0.00 0.00 178.00 177.59 5a3h h TYR 154 N 1.16 -0.23 -0.70 0.65 3.20 -1.15 -2.39 116.97 117.51 5a3h h TYR 154 Ca 0.30 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.22 5a3h h TYR 154 Cb -0.01 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 5a3h h TYR 154 CO 0.01 -0.14 0.46 0.00 -1.64 0.00 0.00 178.16 176.85 5a3h h ALA 155 N 0.85 1.63 0.00 1.82 0.00 -0.43 -0.56 119.26 122.57 5a3h h ALA 155 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 5a3h h ALA 155 Cb 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.77 5a3h h ALA 155 CO -0.11 0.28 0.00 0.39 0.00 0.00 0.00 179.25 179.82 5a3h n GLU 156 N -4.46 0.24 -0.08 0.00 1.02 0.25 -1.05 120.64 116.57 5a3h n GLU 156 Ca 0.09 0.07 -0.20 0.00 -0.02 0.00 0.00 57.16 57.10 5a3h n GLU 156 Cb 0.15 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.95 5a3h n GLU 156 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 5a3h n GLU 157 N -1.35 0.69 0.07 3.49 1.02 -0.36 -4.56 120.64 119.64 5a3h n GLU 157 Ca 0.10 0.22 -0.14 0.00 -0.02 0.00 0.00 57.16 57.32 5a3h n GLU 157 Cb 0.22 -1.60 -0.14 0.00 -0.02 0.00 0.00 31.44 29.90 5a3h n GLU 157 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 5a3h h VAL 158 N -0.06 1.37 -0.83 2.62 2.07 -0.90 -3.35 116.25 117.17 5a3h h VAL 158 Ca -0.52 -3.02 0.03 0.00 0.82 0.00 0.00 66.70 64.02 5a3h h VAL 158 Cb 1.92 2.81 -0.05 0.00 -1.52 0.00 0.00 31.29 34.46 5a3h h VAL 158 CO -0.04 0.85 0.53 0.40 0.02 0.00 0.00 177.57 179.34 5a3h h ILE 159 N 0.05 1.14 -0.90 4.57 2.04 -1.34 -2.15 117.51 120.92 5a3h h ILE 159 Ca -0.16 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 5a3h h ILE 159 Cb 1.95 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 5a3h h ILE 159 CO 0.16 0.19 0.53 -0.65 0.00 0.00 0.00 178.15 178.38 5a3h h PRO 160 N 1.04 1.23 -0.24 2.37 0.11 -1.80 0.55 132.00 135.27 5a3h h PRO 160 Ca 0.33 -0.12 0.03 0.00 0.11 0.00 0.00 66.00 66.34 5a3h h PRO 160 Cb -0.00 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 30.82 5a3h h PRO 160 CO -0.11 0.88 0.07 0.82 -0.21 0.00 0.00 178.00 179.44 5a3h h ILE 161 N 1.25 0.92 -0.24 4.15 1.08 -1.53 -1.66 117.51 121.48 5a3h h ILE 161 Ca 0.32 -0.06 -0.02 0.00 -0.39 0.00 0.00 64.86 64.72 5a3h h ILE 161 Cb -0.03 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 5a3h h ILE 161 CO -0.06 0.03 0.09 0.40 -0.69 0.00 0.00 178.15 177.92 5a3h h ILE 162 N 0.17 1.18 0.00 -0.67 2.04 -1.07 -3.12 117.51 116.04 5a3h h ILE 162 Ca 0.11 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 5a3h h ILE 162 Cb 0.09 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 5a3h h ILE 162 CO -0.12 0.18 -0.11 0.03 0.00 0.00 0.00 178.15 178.13 5a3h h ARG 163 N 0.24 0.00 0.00 2.37 2.47 -0.73 0.34 114.38 119.06 5a3h h ARG 163 Ca 0.08 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.76 5a3h h ARG 163 Cb 0.20 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 5a3h h ARG 163 CO -0.00 0.11 -0.17 -0.97 0.56 0.00 0.00 179.97 179.50 5a3h h ASN 164 N 0.00 0.00 0.00 7.04 -1.24 -1.24 -3.24 115.58 116.90 5a3h h ASN 164 Ca -0.00 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.93 5a3h h ASN 164 Cb 0.36 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 5a3h h ASN 164 CO 0.01 0.17 -1.52 0.59 -1.29 0.00 0.00 177.43 175.40 5a3h n ASN 165 N -3.78 2.85 -3.43 1.15 3.02 -0.40 -4.93 115.26 109.74 5a3h n ASN 165 Ca -0.02 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.33 5a3h n ASN 165 Cb 0.27 1.06 -0.11 0.00 -0.61 0.00 0.00 39.78 40.39 5a3h n ASN 165 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 5a3h s ASP 166 N -3.60 2.17 0.51 6.41 -1.08 0.11 -4.74 116.67 116.45 5a3h s ASP 166 Ca -0.04 -1.03 0.28 0.00 -0.52 0.00 0.00 52.55 51.24 5a3h s ASP 166 Cb 0.04 0.25 1.36 0.00 -1.46 0.00 0.00 42.92 43.11 5a3h s ASP 166 CO 0.37 -0.39 2.01 1.55 0.52 0.00 0.00 175.17 179.24 5a3h h PRO 167 N 8.14 0.00 0.00 4.34 0.13 -1.80 -3.33 132.00 139.47 5a3h h PRO 167 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 5a3h h PRO 167 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 5a3h h PRO 167 CO 0.35 0.13 -0.03 0.27 -0.23 0.00 0.00 178.00 178.49 5a3h n ASN 168 N -3.45 0.00 -4.73 1.44 2.04 -1.26 -4.96 115.26 104.33 5a3h n ASN 168 Ca -0.01 -1.06 -0.34 0.00 -0.44 0.00 0.00 54.58 52.73 5a3h n ASN 168 Cb 0.29 -0.01 0.09 0.00 -2.53 0.00 0.00 39.78 37.62 5a3h n ASN 168 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 5a3h s ASN 169 N -0.06 4.32 0.31 0.53 0.01 -1.26 -4.85 114.94 113.95 5a3h s ASN 169 Ca 0.00 2.32 -0.29 0.00 -0.71 0.00 0.00 52.86 54.18 5a3h s ASN 169 Cb 0.00 -2.59 -0.10 0.00 0.41 0.00 0.00 41.25 38.97 5a3h s ASN 169 CO 0.00 -2.17 1.37 -0.63 -1.51 0.00 0.00 177.10 174.16 5a3h s ILE 170 N -2.00 2.60 -0.16 0.60 -1.09 -1.26 -4.90 121.20 114.98 5a3h s ILE 170 Ca 0.74 0.57 0.02 0.00 -2.23 0.00 0.00 60.65 59.74 5a3h s ILE 170 Cb -0.28 -3.36 0.01 0.00 -1.58 0.00 0.00 42.46 37.25 5a3h s ILE 170 CO 0.44 0.12 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.45 5a3h s ILE 171 N -0.80 2.16 -0.21 2.92 1.01 -0.83 -1.34 121.20 124.12 5a3h s ILE 171 Ca 0.53 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 60.13 5a3h s ILE 171 Cb -0.41 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.12 5a3h s ILE 171 CO 0.52 0.54 0.18 -0.63 0.00 0.00 0.00 174.94 175.54 5a3h s ILE 172 N 1.00 5.37 -0.15 2.92 1.01 0.13 -1.02 121.20 130.47 5a3h s ILE 172 Ca -0.02 0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.89 5a3h s ILE 172 Cb -0.15 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 5a3h s ILE 172 CO -0.06 0.39 -0.11 -0.69 0.00 0.00 0.00 174.94 174.48 5a3h s VAL 173 N 0.64 3.20 0.73 2.92 1.01 0.06 -2.50 120.40 126.45 5a3h s VAL 173 Ca 0.10 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 5a3h s VAL 173 Cb -0.12 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 33.93 5a3h s VAL 173 CO 0.01 0.51 1.19 -0.83 0.00 0.00 0.00 175.10 175.98 5a3h s GLY 174 N 0.50 2.28 0.46 4.51 0.00 -1.19 -1.36 107.32 112.52 5a3h s GLY 174 Ca -0.08 0.80 0.05 0.00 0.00 0.00 0.00 44.72 45.50 5a3h s GLY 174 CO 0.04 1.20 0.09 -0.51 0.00 0.00 0.00 173.10 173.92 5a3h s THR 175 N -2.08 1.75 0.90 0.90 -4.23 -1.26 -4.80 115.64 106.82 5a3h s THR 175 Ca 0.73 -1.87 -0.12 0.00 -1.18 0.00 0.00 61.69 59.25 5a3h s THR 175 Cb -0.27 -2.63 0.13 0.00 1.34 0.00 0.00 72.50 71.07 5a3h s THR 175 CO 0.45 0.00 1.09 -0.83 -0.54 0.00 0.00 174.62 174.79 5a3h s GLY 176 N -3.88 1.61 -1.17 3.99 0.00 -1.26 -1.26 107.32 105.35 5a3h s GLY 176 Ca 0.27 -0.10 -0.07 0.00 0.00 0.00 0.00 44.72 44.81 5a3h s GLY 176 CO 0.14 0.39 0.82 2.41 0.00 0.00 0.00 173.10 176.87 5a3h n THR 177 N -3.87 -6.46 -3.50 0.90 -1.04 -1.22 -1.08 114.28 98.02 5a3h n THR 177 Ca 0.07 -0.88 -0.18 0.00 -2.04 0.00 0.00 64.05 61.02 5a3h n THR 177 Cb 0.55 -4.91 0.07 0.00 -1.82 0.00 0.00 70.33 64.23 5a3h n THR 177 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 5a3h n TRP 178 N -3.91 -2.12 -3.80 -1.42 8.01 0.26 -3.01 117.44 111.43 5a3h n TRP 178 Ca -0.18 0.91 -0.23 0.00 -1.31 0.00 0.00 57.50 56.69 5a3h n TRP 178 Cb 0.64 -4.91 0.01 0.00 -2.01 0.00 0.00 31.31 25.04 5a3h n TRP 178 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 5a3h n SER 179 N -3.11 -1.22 -0.01 -0.99 7.64 -0.39 -4.60 113.62 110.95 5a3h n SER 179 Ca -0.29 -0.88 0.01 0.00 1.01 0.00 0.00 58.87 58.72 5a3h n SER 179 Cb 0.67 -3.72 -0.03 0.00 -1.01 0.00 0.00 64.21 60.13 5a3h n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 5a3h n GLN 180 N -4.35 1.25 -1.96 1.43 6.02 -0.46 -0.97 117.38 118.36 5a3h n GLN 180 Ca -0.27 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.28 5a3h n GLN 180 Cb 0.67 -1.08 -0.00 0.00 1.02 0.00 0.00 30.24 30.84 5a3h n GLN 180 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 5a3h n ASP 181 N -1.78 5.59 0.20 1.08 2.03 -0.24 -4.60 116.55 118.82 5a3h n ASP 181 Ca -0.02 -2.96 0.08 0.00 0.52 0.00 0.00 54.79 52.41 5a3h n ASP 181 Cb 0.26 -1.53 0.32 0.00 -0.72 0.00 0.00 41.12 39.45 5a3h n ASP 181 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 5a3h h VAL 182 N 3.56 0.62 0.05 5.18 -1.51 -1.87 -3.25 116.25 119.04 5a3h h VAL 182 Ca 0.56 -1.42 0.02 0.00 -1.23 0.00 0.00 66.70 64.63 5a3h h VAL 182 Cb 0.54 1.96 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 5a3h h VAL 182 CO 1.71 0.29 -0.18 -0.74 -1.23 0.00 0.00 177.57 177.42 5a3h h HIS 183 N 0.00 -0.47 -0.61 5.19 -0.00 -1.83 0.75 115.15 118.17 5a3h h HIS 183 Ca -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 5a3h h HIS 183 Cb 0.93 0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 28.52 5a3h h HIS 183 CO 0.00 -0.26 0.34 0.45 -0.00 0.00 0.00 177.93 178.45 5a3h h HIS 184 N -0.32 0.84 -0.31 5.26 3.86 -1.97 -2.17 115.15 120.34 5a3h h HIS 184 Ca 0.04 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.13 5a3h h HIS 184 Cb 0.37 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 5a3h h HIS 184 CO -0.21 0.60 -0.24 0.00 0.86 0.00 0.00 177.93 178.94 5a3h h ALA 185 N 1.16 0.99 0.00 2.45 0.00 -1.55 -2.70 119.26 119.61 5a3h h ALA 185 Ca 0.22 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 5a3h h ALA 185 Cb 0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 5a3h h ALA 185 CO -0.04 0.59 -0.27 0.00 0.00 0.00 0.00 179.25 179.54 5a3h h ALA 186 N 1.20 1.03 -0.00 0.00 0.00 -0.49 -1.63 119.26 119.35 5a3h h ALA 186 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 5a3h h ALA 186 Cb 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 5a3h h ALA 186 CO 0.05 0.34 -0.13 -0.25 0.00 0.00 0.00 179.25 179.26 5a3h n ASP 187 N -3.46 0.53 -2.93 0.00 8.00 -0.85 -4.34 116.55 113.50 5a3h n ASP 187 Ca -0.00 -0.58 -0.13 0.00 0.71 0.00 0.00 54.79 54.79 5a3h n ASP 187 Cb 0.45 -0.05 0.02 0.00 -0.02 0.00 0.00 41.12 41.52 5a3h n ASP 187 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 5a3h n ASN 188 N -0.94 0.02 -4.74 -2.24 5.15 -0.64 -5.09 115.26 106.78 5a3h n ASN 188 Ca 0.14 -3.03 -0.33 0.00 -0.60 0.00 0.00 54.58 50.76 5a3h n ASN 188 Cb 0.29 0.10 0.09 0.00 -0.53 0.00 0.00 39.78 39.73 5a3h n ASN 188 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 5a3h s GLN 189 N -1.75 2.15 0.67 1.20 -0.21 -1.04 -4.86 119.66 115.81 5a3h s GLN 189 Ca 0.31 1.50 -0.13 0.00 0.02 0.00 0.00 55.36 57.07 5a3h s GLN 189 Cb 0.37 -1.86 0.00 0.00 1.00 0.00 0.00 33.01 32.52 5a3h s GLN 189 CO -0.05 -1.77 1.08 -0.51 -2.12 0.00 0.00 175.29 171.91 5a3h s LEU 190 N -5.48 3.29 0.20 2.90 1.43 -1.26 -4.99 118.68 114.77 5a3h s LEU 190 Ca 0.68 1.82 0.02 0.00 -1.03 0.00 0.00 54.13 55.62 5a3h s LEU 190 Cb -0.23 -4.53 0.12 0.00 0.03 0.00 0.00 46.19 41.59 5a3h s LEU 190 CO 0.48 -1.52 1.47 0.00 0.23 0.00 0.00 176.35 177.02 5a3h h ALA 191 N -0.24 0.69 -2.56 4.21 0.00 -2.02 -3.45 119.26 115.88 5a3h h ALA 191 Ca -0.45 -0.61 -0.54 0.00 0.00 0.00 0.00 54.91 53.30 5a3h h ALA 191 Cb 1.23 -0.08 0.07 0.00 0.00 0.00 0.00 17.79 19.01 5a3h h ALA 191 CO 0.55 0.79 0.90 -3.47 0.00 0.00 0.00 179.25 178.03 5a3h n ASP 192 N -3.80 3.66 0.11 0.00 -0.08 -1.26 -4.87 116.55 110.31 5a3h n ASP 192 Ca -0.03 1.09 0.12 0.00 -1.51 0.00 0.00 54.79 54.46 5a3h n ASP 192 Cb 0.69 -1.53 0.45 0.00 2.34 0.00 0.00 41.12 43.07 5a3h n ASP 192 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 5a3h n PRO 193 N 3.31 0.22 -1.92 -0.67 -0.04 -1.26 -3.42 135.00 131.22 5a3h n PRO 193 Ca 0.14 0.29 -0.27 0.00 -0.04 0.00 0.00 63.50 63.62 5a3h n PRO 193 Cb 0.34 -1.82 0.03 0.00 -0.04 0.00 0.00 33.50 32.01 5a3h n PRO 193 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 5a3h n ASN 194 N -2.21 5.62 -4.70 3.54 3.02 -1.26 -4.37 115.26 114.89 5a3h n ASN 194 Ca 0.04 -3.76 -0.30 0.00 -0.03 0.00 0.00 54.58 50.53 5a3h n ASN 194 Cb 0.34 -0.52 -0.08 0.00 -0.61 0.00 0.00 39.78 38.91 5a3h n ASN 194 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 5a3h s VAL 195 N -4.78 4.13 0.11 2.41 1.01 -1.22 -1.96 120.40 120.11 5a3h s VAL 195 Ca 0.54 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.69 5a3h s VAL 195 Cb 0.43 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 5a3h s VAL 195 CO -0.02 0.15 -0.16 -0.04 0.00 0.00 0.00 175.10 175.03 5a3h s MET 196 N -2.23 1.04 -0.11 2.72 -1.94 -0.19 -4.55 119.30 114.05 5a3h s MET 196 Ca 0.26 -1.19 -0.05 0.00 -1.71 0.00 0.00 55.69 53.00 5a3h s MET 196 Cb -0.12 -1.08 -0.04 0.00 2.01 0.00 0.00 34.83 35.61 5a3h s MET 196 CO 0.18 0.23 0.06 0.71 -0.01 0.00 0.00 175.02 176.19 5a3h s TYR 197 N -1.70 3.33 0.29 -0.03 2.02 0.08 -0.76 117.35 120.58 5a3h s TYR 197 Ca 0.07 0.29 -0.29 0.00 -0.37 0.00 0.00 57.07 56.78 5a3h s TYR 197 Cb -0.07 -1.89 -0.09 0.00 -0.40 0.00 0.00 41.96 39.50 5a3h s TYR 197 CO 0.04 0.51 1.05 0.00 -1.57 0.00 0.00 175.55 175.58 5a3h s ALA 198 N -0.74 3.34 -0.05 3.71 0.00 -0.46 -0.98 121.76 126.58 5a3h s ALA 198 Ca 0.12 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.87 5a3h s ALA 198 Cb -0.12 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.74 5a3h s ALA 198 CO 0.03 -0.06 -0.03 0.12 0.00 0.00 0.00 175.76 175.82 5a3h s PHE 199 N -1.25 0.71 -0.03 0.00 5.36 -0.87 -4.23 117.98 117.67 5a3h s PHE 199 Ca 0.45 -0.20 0.07 0.00 -0.96 0.00 0.00 56.93 56.30 5a3h s PHE 199 Cb -0.29 -0.70 -0.02 0.00 -0.34 0.00 0.00 43.02 41.67 5a3h s PHE 199 CO 0.36 -0.24 -0.25 -1.01 -1.46 0.00 0.00 175.22 172.63 5a3h s HIS 200 N 1.27 2.27 0.05 10.12 3.76 -0.14 -3.73 115.29 128.89 5a3h s HIS 200 Ca -0.06 -0.52 -0.04 0.00 -0.15 0.00 0.00 55.06 54.29 5a3h s HIS 200 Cb -0.14 -1.48 -0.02 0.00 1.11 0.00 0.00 32.58 32.06 5a3h s HIS 200 CO -0.02 -0.10 0.05 -0.59 -0.85 0.00 0.00 174.74 173.23 5a3h s PHE 201 N -0.42 0.32 -0.08 1.40 -0.12 -1.19 -4.70 117.98 113.19 5a3h s PHE 201 Ca 0.05 -0.74 0.02 0.00 -0.05 0.00 0.00 56.93 56.20 5a3h s PHE 201 Cb -0.11 -0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.07 5a3h s PHE 201 CO 0.01 -0.39 -0.13 0.71 -0.05 0.00 0.00 175.22 175.37 5a3h s TYR 202 N -3.25 1.67 -0.21 3.49 2.02 -1.26 -1.57 117.35 118.24 5a3h s TYR 202 Ca 0.01 -0.69 0.25 0.00 -0.37 0.00 0.00 57.07 56.26 5a3h s TYR 202 Cb 0.03 -1.22 1.22 0.00 -0.40 0.00 0.00 41.96 41.58 5a3h s TYR 202 CO -0.08 -0.36 1.76 0.00 -1.57 0.00 0.00 175.55 175.30 5a3h h ALA 203 N 7.19 1.00 0.00 3.71 0.00 -0.70 -1.43 119.26 129.03 5a3h h ALA 203 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 5a3h h ALA 203 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 5a3h h ALA 203 CO 0.47 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.13 5a3h n GLY 204 N -0.71 -1.22 3.74 0.00 0.00 -0.34 -4.64 105.19 102.02 5a3h n GLY 204 Ca -0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 5a3h n GLY 204 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5a3h s THR 205 N -3.13 5.38 0.02 2.61 2.01 -0.54 -4.92 115.64 117.08 5a3h s THR 205 Ca 0.07 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.06 5a3h s THR 205 Cb 0.11 -3.51 -0.08 0.00 0.01 0.00 0.00 72.50 69.02 5a3h s THR 205 CO 0.37 0.43 1.90 -1.00 -0.69 0.00 0.00 174.62 175.63 5a3h s HIS 206 N 0.33 1.47 -0.88 4.92 3.76 -1.26 -4.89 115.29 118.73 5a3h s HIS 206 Ca 0.11 -0.31 0.16 0.00 -0.15 0.00 0.00 55.06 54.87 5a3h s HIS 206 Cb -0.12 -4.18 0.56 0.00 1.11 0.00 0.00 32.58 29.96 5a3h s HIS 206 CO -0.00 -5.19 1.48 0.41 -0.85 0.00 0.00 174.74 170.58 5a3h n GLY 207 N 4.44 3.04 0.30 -2.22 0.00 -1.26 -4.71 105.19 104.79 5a3h n GLY 207 Ca 0.19 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 5a3h n GLY 207 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 5a3h h GLN 208 N 3.00 1.06 -0.10 1.61 4.15 -2.00 -1.25 115.11 121.58 5a3h h GLN 208 Ca 0.00 -0.30 -0.17 0.00 0.77 0.00 0.00 58.65 58.95 5a3h h GLN 208 Cb 1.23 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 5a3h h GLN 208 CO 0.16 0.99 -0.66 -0.97 -1.93 0.00 0.00 178.83 176.42 5a3h h ASN 209 N 0.97 0.46 -0.85 -0.69 -0.00 -2.00 -2.65 115.58 110.83 5a3h h ASN 209 Ca 0.19 -0.28 -0.03 0.00 -0.00 0.00 0.00 56.30 56.18 5a3h h ASN 209 Cb 0.46 -0.14 -0.04 0.00 -0.00 0.00 0.00 38.32 38.60 5a3h h ASN 209 CO 0.02 1.00 0.41 -0.07 -0.00 0.00 0.00 177.43 178.79 5a3h h LEU 210 N 0.29 1.11 -0.50 0.34 3.38 -1.79 0.12 115.31 118.26 5a3h h LEU 210 Ca -0.02 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 5a3h h LEU 210 Cb 1.22 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 5a3h h LEU 210 CO 0.11 0.93 0.30 0.03 0.09 0.00 0.00 178.44 179.91 5a3h h ARG 211 N 1.21 0.68 -0.41 1.13 3.08 -1.20 -0.92 114.38 117.96 5a3h h ARG 211 Ca 0.29 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 5a3h h ARG 211 Cb 0.11 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 5a3h h ARG 211 CO -0.04 0.50 0.18 -0.44 -1.07 0.00 0.00 179.97 179.10 5a3h h ASP 212 N 0.67 0.51 -0.17 7.04 3.32 -1.01 -1.45 116.42 125.34 5a3h h ASP 212 Ca 0.18 -0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.05 5a3h h ASP 212 Cb -0.01 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 5a3h h ASP 212 CO -0.03 0.46 -0.38 1.56 -1.72 0.00 0.00 179.24 179.12 5a3h h GLN 213 N 0.57 0.70 -0.65 3.56 1.08 -0.31 -0.74 115.11 119.32 5a3h h GLN 213 Ca 0.14 -0.35 -0.07 0.00 -1.45 0.00 0.00 58.65 56.92 5a3h h GLN 213 Cb 0.09 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 5a3h h GLN 213 CO -0.02 0.96 0.13 0.28 -0.95 0.00 0.00 178.83 179.23 5a3h h VAL 214 N 0.58 1.26 -0.69 -0.54 2.07 -0.80 -1.69 116.25 116.43 5a3h h VAL 214 Ca 0.05 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 5a3h h VAL 214 Cb 0.91 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 5a3h h VAL 214 CO 0.08 0.37 0.37 0.44 0.02 0.00 0.00 177.57 178.85 5a3h h ASP 215 N 0.97 0.86 -0.09 0.57 3.32 -1.04 0.55 116.42 121.56 5a3h h ASP 215 Ca 0.20 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.18 5a3h h ASP 215 Cb 0.41 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 5a3h h ASP 215 CO 0.01 0.70 0.06 0.22 -1.72 0.00 0.00 179.24 178.51 5a3h h TYR 216 N 0.97 0.11 -0.54 4.55 3.20 -0.57 -0.92 116.97 123.76 5a3h h TYR 216 Ca 0.24 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.15 5a3h h TYR 216 Cb 0.04 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 5a3h h TYR 216 CO 0.01 0.07 0.31 0.00 -1.64 0.00 0.00 178.16 176.90 5a3h h ALA 217 N 1.03 0.69 -0.93 1.82 0.00 -0.64 -2.33 119.26 118.91 5a3h h ALA 217 Ca 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 5a3h h ALA 217 Cb -0.01 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 5a3h h ALA 217 CO -0.01 0.00 0.56 -0.07 0.00 0.00 0.00 179.25 179.74 5a3h h LEU 218 N 0.61 1.11 -2.54 0.00 3.38 -0.64 -1.52 115.31 115.70 5a3h h LEU 218 Ca 0.22 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.13 5a3h h LEU 218 Cb 0.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.53 5a3h h LEU 218 CO -0.12 0.85 0.00 0.44 0.09 0.00 0.00 178.44 179.70 5a3h h ASP 219 N 1.28 0.00 -0.13 -0.43 3.32 -0.64 -0.40 116.42 119.42 5a3h h ASP 219 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 5a3h h ASP 219 Cb -0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.49 5a3h h ASP 219 CO -0.06 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.46 5a3h n GLN 220 N -3.07 1.61 -1.00 3.56 1.13 -0.60 -4.93 117.38 114.09 5a3h n GLN 220 Ca -0.02 -0.92 -0.00 0.00 -1.94 0.00 0.00 57.00 54.12 5a3h n GLN 220 Cb 0.14 -1.39 -0.00 0.00 0.11 0.00 0.00 30.24 29.10 5a3h n GLN 220 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 5a3h n GLY 221 N 1.08 0.49 3.75 1.08 0.00 -0.16 -5.02 105.19 106.42 5a3h n GLY 221 Ca 0.16 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 5a3h n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5a3h s ALA 222 N -1.99 3.36 0.14 4.61 0.00 -1.05 -3.98 121.76 122.85 5a3h s ALA 222 Ca 0.00 0.76 -0.19 0.00 0.00 0.00 0.00 51.96 52.53 5a3h s ALA 222 Cb 0.00 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 5a3h s ALA 222 CO 0.00 -0.04 0.63 0.00 0.00 0.00 0.00 175.76 176.35 5a3h s ALA 223 N -0.84 3.53 -0.05 0.00 0.00 -1.25 -4.26 121.76 118.88 5a3h s ALA 223 Ca 0.45 0.07 0.04 0.00 0.00 0.00 0.00 51.96 52.52 5a3h s ALA 223 Cb -0.29 -2.70 -0.00 0.00 0.00 0.00 0.00 23.12 20.13 5a3h s ALA 223 CO 0.36 0.38 -0.18 0.42 0.00 0.00 0.00 175.76 176.73 5a3h s ILE 224 N -1.30 1.55 -0.16 0.00 -1.09 -1.26 -0.74 121.20 118.21 5a3h s ILE 224 Ca 0.35 -0.77 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 5a3h s ILE 224 Cb -0.18 -1.33 0.01 0.00 -1.58 0.00 0.00 42.46 39.38 5a3h s ILE 224 CO 0.20 0.44 -0.21 0.12 -1.23 0.00 0.00 174.94 174.27 5a3h s PHE 225 N 0.10 2.69 -1.27 3.97 2.19 -0.15 -4.52 117.98 120.98 5a3h s PHE 225 Ca -0.06 -1.46 -0.16 0.00 0.33 0.00 0.00 56.93 55.58 5a3h s PHE 225 Cb -0.13 -1.85 0.11 0.00 -1.31 0.00 0.00 43.02 39.85 5a3h s PHE 225 CO 0.03 -0.69 1.65 0.28 1.83 0.00 0.00 175.22 178.32 5a3h n VAL 226 N 4.30 4.06 1.47 3.12 0.31 -0.50 -2.05 118.33 129.05 5a3h n VAL 226 Ca -0.20 -4.32 0.14 0.00 -0.01 0.00 0.00 64.34 59.95 5a3h n VAL 226 Cb 0.51 -2.41 0.75 0.00 -0.91 0.00 0.00 33.84 31.78 5a3h n VAL 226 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 5a3h n SER 227 N 7.02 0.00 -3.65 4.52 3.41 -1.24 -1.59 113.62 122.08 5a3h n SER 227 Ca 0.44 -0.39 -0.06 0.00 -0.26 0.00 0.00 58.87 58.60 5a3h n SER 227 Cb 0.44 -0.18 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 5a3h n SER 227 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 5a3h s GLU 228 N -2.37 0.62 0.08 4.33 2.12 -1.22 -4.43 118.70 117.84 5a3h s GLU 228 Ca 0.32 1.25 -0.12 0.00 0.36 0.00 0.00 54.97 56.78 5a3h s GLU 228 Cb 0.19 0.35 0.01 0.00 0.26 0.00 0.00 34.13 34.94 5a3h s GLU 228 CO 0.39 -0.17 0.26 1.67 -0.54 0.00 0.00 175.26 176.87 5a3h s TRP 229 N 2.04 0.00 0.06 5.30 1.48 -1.04 -3.18 118.94 123.60 5a3h s TRP 229 Ca -0.08 -0.32 -0.00 0.00 -1.06 0.00 0.00 56.10 54.64 5a3h s TRP 229 Cb -0.08 0.05 -0.04 0.00 -1.16 0.00 0.00 33.47 32.24 5a3h s TRP 229 CO -0.19 -0.56 -0.04 0.20 -4.06 0.00 0.00 176.95 172.31 5a3h s GLY 230 N -2.57 0.54 0.00 3.67 0.00 -0.61 -0.62 107.32 107.73 5a3h s GLY 230 Ca 0.01 -1.18 0.28 0.00 0.00 0.00 0.00 44.72 43.83 5a3h s GLY 230 CO -0.09 -1.29 1.83 -1.30 0.00 0.00 0.00 173.10 172.26 5a3h n THR 231 N 0.24 0.00 -2.47 0.90 -2.24 -1.26 -0.80 114.28 108.65 5a3h n THR 231 Ca -0.15 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 5a3h n THR 231 Cb 0.60 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 5a3h n THR 231 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 5a3h n SER 232 N -1.15 0.01 -4.40 3.42 3.41 -1.26 -0.64 113.62 113.01 5a3h n SER 232 Ca 0.12 -0.46 -0.30 0.00 -0.26 0.00 0.00 58.87 57.97 5a3h n SER 232 Cb 0.29 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.40 5a3h n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 5a3h s ALA 233 N -2.00 2.32 0.60 7.33 0.00 -1.00 -1.20 121.76 127.81 5a3h s ALA 233 Ca 0.00 -0.99 0.31 0.00 0.00 0.00 0.00 51.96 51.28 5a3h s ALA 233 Cb 0.00 -2.85 1.83 0.00 0.00 0.00 0.00 23.12 22.10 5a3h s ALA 233 CO 0.00 -2.21 2.20 0.00 0.00 0.00 0.00 175.76 175.75 5a3h h ALA 234 N -1.47 1.56 -0.00 0.00 0.00 -1.89 0.16 119.26 117.62 5a3h h ALA 234 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 5a3h h ALA 234 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 5a3h h ALA 234 CO 0.48 -0.13 -0.08 0.25 0.00 0.00 0.00 179.25 179.78 5a3h n THR 235 N -3.70 0.00 -0.33 0.00 -2.24 -1.26 -4.88 114.28 101.87 5a3h n THR 235 Ca -0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 5a3h n THR 235 Cb 0.18 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 5a3h n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5a3h n GLY 236 N 1.46 0.67 0.12 3.38 0.00 0.04 -5.03 105.19 105.83 5a3h n GLY 236 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 5a3h n GLY 236 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 5a3h n ASP 237 N 0.00 0.11 0.00 1.61 2.03 -1.26 -1.59 116.55 117.45 5a3h n ASP 237 Ca 0.00 -1.08 0.00 0.00 0.52 0.00 0.00 54.79 54.23 5a3h n ASP 237 Cb 0.00 0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 5a3h n ASP 237 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 5a3h n GLY 238 N 0.28 1.06 0.00 0.27 0.00 -1.26 -2.37 105.19 103.17 5a3h n GLY 238 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 5a3h n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5a3h n GLY 239 N -1.90 2.59 3.33 -0.02 0.00 -1.26 -4.72 105.19 103.21 5a3h n GLY 239 Ca 0.00 -1.99 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 5a3h n GLY 239 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5a3h s VAL 240 N -2.70 2.97 -0.76 1.61 1.01 -1.26 -4.08 120.40 117.18 5a3h s VAL 240 Ca 0.00 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.33 5a3h s VAL 240 Cb 0.00 -2.26 0.21 0.00 0.00 0.00 0.00 36.38 34.33 5a3h s VAL 240 CO 0.00 0.51 0.70 0.49 0.00 0.00 0.00 175.10 176.80 5a3h n PHE 241 N 3.84 3.57 0.20 5.22 3.01 0.19 -4.95 117.46 128.55 5a3h n PHE 241 Ca -0.18 -4.13 0.07 0.00 1.01 0.00 0.00 57.45 54.21 5a3h n PHE 241 Cb 0.52 -0.78 0.40 0.00 -0.01 0.00 0.00 39.48 39.61 5a3h n PHE 241 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 5a3h h LEU 242 N 5.23 0.00 0.10 4.37 3.38 -1.94 -1.39 115.31 125.06 5a3h h LEU 242 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 5a3h h LEU 242 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 5a3h h LEU 242 CO 0.82 0.32 -0.05 0.44 0.09 0.00 0.00 178.44 180.07 5a3h h ASP 243 N 0.00 -0.11 -0.12 -0.43 3.32 -1.97 -1.09 116.42 116.02 5a3h h ASP 243 Ca -0.00 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 56.79 5a3h h ASP 243 Cb 0.79 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 5a3h h ASP 243 CO 0.04 0.10 -0.21 -0.08 -1.72 0.00 0.00 179.24 177.37 5a3h h GLU 244 N -0.32 0.54 -0.85 3.56 4.57 -1.83 -2.20 114.58 118.03 5a3h h GLU 244 Ca -0.01 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 57.99 5a3h h GLU 244 Cb 0.27 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 5a3h h GLU 244 CO 0.02 0.72 0.56 0.00 -1.18 0.00 0.00 179.01 179.13 5a3h h ALA 245 N 1.30 1.09 -0.46 2.92 0.00 -1.17 -1.33 119.26 121.61 5a3h h ALA 245 Ca 0.08 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 5a3h h ALA 245 Cb 0.63 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 5a3h h ALA 245 CO 0.04 0.47 0.03 0.37 0.00 0.00 0.00 179.25 180.16 5a3h h GLN 246 N 1.14 0.73 -0.31 0.00 5.75 -0.82 0.17 115.11 121.77 5a3h h GLN 246 Ca 0.32 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 5a3h h GLN 246 Cb -0.10 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.34 5a3h h GLN 246 CO -0.08 0.72 0.14 0.28 -2.65 0.00 0.00 178.83 177.25 5a3h h VAL 247 N 0.69 1.17 -0.71 2.39 2.07 -0.71 -1.59 116.25 119.56 5a3h h VAL 247 Ca 0.14 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 5a3h h VAL 247 Cb 0.39 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 5a3h h VAL 247 CO 0.01 0.17 0.25 -0.50 0.02 0.00 0.00 177.57 177.52 5a3h h TRP 248 N 0.36 1.11 -0.11 1.57 4.06 -0.75 -1.42 115.95 120.77 5a3h h TRP 248 Ca 0.11 -0.09 0.03 0.00 2.06 0.00 0.00 58.89 60.99 5a3h h TRP 248 Cb 0.14 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 27.95 5a3h h TRP 248 CO -0.01 0.86 -0.05 0.82 -3.56 0.00 0.00 178.44 176.50 5a3h h ILE 249 N 1.05 0.84 -0.86 1.49 1.08 -0.43 -0.29 117.51 120.38 5a3h h ILE 249 Ca 0.23 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.69 5a3h h ILE 249 Cb 0.26 0.84 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 5a3h h ILE 249 CO -0.01 0.00 0.48 0.44 -0.69 0.00 0.00 178.15 178.37 5a3h h ASP 250 N -0.04 1.06 -0.53 1.72 3.32 -1.17 -1.37 116.42 119.41 5a3h h ASP 250 Ca 0.06 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 5a3h h ASP 250 Cb 0.13 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 5a3h h ASP 250 CO -0.13 0.85 0.29 0.15 -1.72 0.00 0.00 179.24 178.67 5a3h h PHE 251 N 1.19 0.74 -0.54 4.55 3.57 -0.81 -1.36 116.94 124.28 5a3h h PHE 251 Ca 0.30 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 5a3h h PHE 251 Cb 0.01 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 5a3h h PHE 251 CO 0.01 0.54 0.01 0.52 -2.23 0.00 0.00 178.31 177.16 5a3h h MET 252 N 0.71 0.91 -0.53 1.11 2.86 -0.74 -1.26 114.93 117.99 5a3h h MET 252 Ca 0.19 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.50 5a3h h MET 252 Cb 0.05 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 5a3h h MET 252 CO -0.03 0.90 0.06 -0.44 1.06 0.00 0.00 176.91 178.46 5a3h h ASP 253 N 0.84 0.86 -0.48 1.22 3.32 -0.96 0.12 116.42 121.34 5a3h h ASP 253 Ca 0.16 -0.27 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 5a3h h ASP 253 Cb 0.49 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 5a3h h ASP 253 CO 0.02 0.92 0.20 -0.33 -1.72 0.00 0.00 179.24 178.33 5a3h h GLU 254 N 0.77 0.76 -0.11 3.56 4.39 -0.94 -2.57 114.58 120.45 5a3h h GLU 254 Ca 0.16 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.74 5a3h h GLU 254 Cb 0.44 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 5a3h h GLU 254 CO 0.01 0.63 0.00 0.54 -1.16 0.00 0.00 179.01 179.04 5a3h n ARG 255 N -4.34 2.02 -3.73 2.33 3.00 -0.50 -4.97 116.66 110.47 5a3h n ARG 255 Ca 0.04 -1.50 -0.24 0.00 -0.01 0.00 0.00 57.85 56.14 5a3h n ARG 255 Cb 0.16 -1.46 0.04 0.00 0.00 0.00 0.00 32.46 31.20 5a3h n ARG 255 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 5a3h n ASN 256 N 0.78 -3.32 -4.75 0.55 2.85 0.21 -4.97 115.26 106.61 5a3h n ASN 256 Ca 0.17 -0.74 -0.37 0.00 -0.11 0.00 0.00 54.58 53.53 5a3h n ASN 256 Cb 0.47 -4.26 -0.07 0.00 1.24 0.00 0.00 39.78 37.16 5a3h n ASN 256 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 5a3h s LEU 257 N -6.95 4.29 0.46 1.20 1.43 -0.09 -4.83 118.68 114.19 5a3h s LEU 257 Ca 0.32 0.66 -0.20 0.00 -1.03 0.00 0.00 54.13 53.89 5a3h s LEU 257 Cb -0.16 -2.49 -0.10 0.00 0.03 0.00 0.00 46.19 43.48 5a3h s LEU 257 CO 0.80 0.11 0.97 -0.44 0.23 0.00 0.00 176.35 178.02 5a3h s SER 258 N 0.23 6.80 0.11 2.29 0.01 -1.26 -4.72 113.70 117.16 5a3h s SER 258 Ca 0.20 1.68 -0.17 0.00 1.31 0.00 0.00 55.95 58.97 5a3h s SER 258 Cb -0.14 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.59 5a3h s SER 258 CO 0.07 -0.46 0.41 -1.66 0.41 0.00 0.00 173.24 172.01 5a3h s TRP 259 N -2.28 -0.23 -0.07 2.43 1.48 0.47 -1.41 118.94 119.33 5a3h s TRP 259 Ca 0.62 -0.05 -0.01 0.00 -1.06 0.00 0.00 56.10 55.60 5a3h s TRP 259 Cb -0.10 0.27 0.03 0.00 -1.16 0.00 0.00 33.47 32.50 5a3h s TRP 259 CO 0.19 -0.69 -0.02 0.00 -4.06 0.00 0.00 176.95 172.36 5a3h s ALA 260 N -3.62 0.76 0.15 2.67 0.00 -0.62 -1.17 121.76 119.94 5a3h s ALA 260 Ca 0.02 -0.15 -0.25 0.00 0.00 0.00 0.00 51.96 51.58 5a3h s ALA 260 Cb 0.01 -0.67 -0.08 0.00 0.00 0.00 0.00 23.12 22.39 5a3h s ALA 260 CO -0.11 -0.32 0.76 1.21 0.00 0.00 0.00 175.76 177.29 5a3h s ASN 261 N 1.63 7.35 -0.29 0.00 3.84 -0.54 -2.50 114.94 124.43 5a3h s ASN 261 Ca 0.00 1.60 -0.11 0.00 0.21 0.00 0.00 52.86 54.57 5a3h s ASN 261 Cb -0.13 -2.48 -0.04 0.00 -0.55 0.00 0.00 41.25 38.05 5a3h s ASN 261 CO -0.04 0.21 0.17 0.86 -2.79 0.00 0.00 177.10 175.51 5a3h s TRP 262 N -1.11 3.19 0.22 0.43 -0.11 0.21 -0.81 118.94 120.97 5a3h s TRP 262 Ca 0.35 -0.11 -0.19 0.00 1.22 0.00 0.00 56.10 57.38 5a3h s TRP 262 Cb -0.23 -2.37 0.03 0.00 -1.50 0.00 0.00 33.47 29.40 5a3h s TRP 262 CO 0.25 -0.26 0.59 -1.54 -4.62 0.00 0.00 176.95 171.37 5a3h s SER 263 N 1.71 -0.28 -0.92 5.86 1.04 -1.06 -4.60 113.70 115.46 5a3h s SER 263 Ca 0.06 -0.52 -0.19 0.00 0.48 0.00 0.00 55.95 55.78 5a3h s SER 263 Cb -0.16 0.63 0.12 0.00 0.10 0.00 0.00 66.02 66.71 5a3h s SER 263 CO 0.09 -1.15 1.14 -0.22 0.98 0.00 0.00 173.24 174.08 5a3h s LEU 264 N -2.89 4.93 0.22 2.42 2.96 0.06 -1.24 118.68 125.14 5a3h s LEU 264 Ca 0.10 -1.96 -0.20 0.00 -0.22 0.00 0.00 54.13 51.85 5a3h s LEU 264 Cb -0.03 -2.41 0.03 0.00 0.50 0.00 0.00 46.19 44.29 5a3h s LEU 264 CO 0.01 -1.11 0.62 0.28 -1.32 0.00 0.00 176.35 174.83 5a3h s THR 265 N 2.89 0.01 -2.00 3.68 -1.32 -1.26 -3.92 115.64 113.72 5a3h s THR 265 Ca 0.33 -0.71 0.21 0.00 -1.21 0.00 0.00 61.69 60.31 5a3h s THR 265 Cb -0.05 -1.64 0.47 0.00 -1.51 0.00 0.00 72.50 69.77 5a3h s THR 265 CO -0.09 -0.04 1.40 0.00 -2.21 0.00 0.00 174.62 173.69 5a3h n HIS 266 N -0.40 0.64 -1.55 9.09 1.44 -1.26 -1.97 115.22 121.21 5a3h n HIS 266 Ca -0.09 -0.37 -0.40 0.00 -2.01 0.00 0.00 57.72 54.86 5a3h n HIS 266 Cb 0.62 -0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.75 5a3h n HIS 266 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 5a3h n LYS 267 N 1.37 0.92 -2.14 -1.40 4.81 -1.26 -4.14 118.16 116.32 5a3h n LYS 267 Ca 0.19 0.34 -0.42 0.00 -0.87 0.00 0.00 58.31 57.55 5a3h n LYS 267 Cb 0.57 -1.89 0.00 0.00 0.02 0.00 0.00 35.03 33.73 5a3h n LYS 267 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 5a3h n ASP 268 N 0.41 4.48 -3.84 3.14 2.03 -1.26 -4.66 116.55 116.84 5a3h n ASP 268 Ca 0.11 -2.93 -0.12 0.00 0.52 0.00 0.00 54.79 52.37 5a3h n ASP 268 Cb 0.43 -1.63 -0.10 0.00 -0.72 0.00 0.00 41.12 39.10 5a3h n ASP 268 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 5a3h s GLU 269 N 2.60 0.46 0.41 -0.67 -1.05 -1.26 -5.06 118.70 114.12 5a3h s GLU 269 Ca 0.46 -0.24 0.09 0.00 -0.15 0.00 0.00 54.97 55.13 5a3h s GLU 269 Cb 0.10 0.20 0.89 0.00 -0.44 0.00 0.00 34.13 34.88 5a3h s GLU 269 CO -0.03 -0.11 2.00 0.77 0.95 0.00 0.00 175.26 178.85 5a3h h SER 270 N 4.52 0.48 1.11 0.83 0.02 -1.87 -1.64 113.55 117.01 5a3h h SER 270 Ca -0.30 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 5a3h h SER 270 Cb 1.19 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.63 5a3h h SER 270 CO 0.40 0.32 0.00 -1.54 -1.14 0.00 0.00 176.83 174.87 5a3h n SER 271 N -4.47 0.58 -4.75 3.07 3.41 -0.62 -4.51 113.62 106.32 5a3h n SER 271 Ca 0.08 0.58 -0.41 0.00 -0.26 0.00 0.00 58.87 58.86 5a3h n SER 271 Cb 0.22 -0.73 -0.02 0.00 -0.26 0.00 0.00 64.21 63.42 5a3h n SER 271 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 5a3h s ALA 272 N -3.14 3.65 -0.32 7.33 0.00 -0.62 -2.56 121.76 126.10 5a3h s ALA 272 Ca 0.09 1.41 0.21 0.00 0.00 0.00 0.00 51.96 53.67 5a3h s ALA 272 Cb 0.12 -3.58 0.33 0.00 0.00 0.00 0.00 23.12 20.00 5a3h s ALA 272 CO 0.50 -0.83 1.59 0.00 0.00 0.00 0.00 175.76 177.02 5a3h h ALA 273 N 4.72 0.91 -2.77 0.00 0.00 -1.21 -3.38 119.26 117.53 5a3h h ALA 273 Ca -0.47 -0.13 -0.62 0.00 0.00 0.00 0.00 54.91 53.69 5a3h h ALA 273 Cb 1.22 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 5a3h h ALA 273 CO 0.76 0.18 -0.76 -0.51 0.00 0.00 0.00 179.25 178.92 5a3h s LEU 274 N -6.29 2.72 0.50 0.00 1.43 -0.83 -1.43 118.68 114.77 5a3h s LEU 274 Ca 0.06 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 52.33 5a3h s LEU 274 Cb 0.06 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.92 5a3h s LEU 274 CO 0.68 0.08 0.77 -0.04 0.23 0.00 0.00 176.35 178.07 5a3h s MET 275 N -3.05 3.10 0.45 1.70 -1.94 0.54 -4.29 119.30 115.82 5a3h s MET 275 Ca 0.26 -0.20 0.28 0.00 -1.71 0.00 0.00 55.69 54.31 5a3h s MET 275 Cb -0.07 -2.43 1.34 0.00 2.01 0.00 0.00 34.83 35.68 5a3h s MET 275 CO 0.14 -0.40 1.72 -1.35 -0.01 0.00 0.00 175.02 175.12 5a3h h PRO 276 N 0.18 0.18 -0.67 2.03 0.11 -1.89 -1.40 132.00 130.55 5a3h h PRO 276 Ca -0.46 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.49 5a3h h PRO 276 Cb 1.25 -0.04 -0.09 0.00 0.11 0.00 0.00 31.00 32.23 5a3h h PRO 276 CO 0.59 0.12 0.18 0.41 -0.21 0.00 0.00 178.00 179.09 5a3h n GLY 277 N -1.58 3.54 3.74 -0.55 0.00 -1.26 -4.98 105.19 104.10 5a3h n GLY 277 Ca 0.30 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 5a3h n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5a3h s ALA 278 N -2.94 3.37 0.18 4.61 0.00 -0.53 -4.97 121.76 121.48 5a3h s ALA 278 Ca 0.54 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 53.00 5a3h s ALA 278 Cb 0.43 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 5a3h s ALA 278 CO 0.14 -0.17 1.36 1.21 0.00 0.00 0.00 175.76 178.29 5a3h s ASN 279 N -0.26 6.83 0.41 0.00 3.84 -1.26 -4.90 114.94 119.59 5a3h s ASN 279 Ca 0.48 2.42 0.29 0.00 0.21 0.00 0.00 52.86 56.26 5a3h s ASN 279 Cb -0.29 -2.60 1.31 0.00 -0.55 0.00 0.00 41.25 39.12 5a3h s ASN 279 CO 0.35 -0.60 1.87 1.55 -2.79 0.00 0.00 177.10 177.48 5a3h h PRO 280 N 5.83 0.00 -0.67 0.43 0.13 -1.93 -2.19 132.00 133.60 5a3h h PRO 280 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 5a3h h PRO 280 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 5a3h h PRO 280 CO 0.81 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.83 5a3h n THR 281 N -2.60 1.70 -0.89 1.56 -2.24 -1.26 -4.46 114.28 106.09 5a3h n THR 281 Ca 0.00 -1.17 0.00 0.00 -2.27 0.00 0.00 64.05 60.61 5a3h n THR 281 Cb 0.20 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 5a3h n THR 281 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5a3h n GLY 282 N 1.23 -1.77 1.83 3.38 0.00 -0.83 -3.20 105.19 105.83 5a3h n GLY 282 Ca 0.26 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.36 5a3h n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5a3h n GLY 283 N 0.00 0.45 3.76 -0.02 0.00 -1.26 -4.61 105.19 103.50 5a3h n GLY 283 Ca 0.00 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.65 5a3h n GLY 283 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 5a3h s TRP 284 N -2.00 2.73 0.77 1.61 0.51 -1.26 -5.03 118.94 116.27 5a3h s TRP 284 Ca 0.00 0.85 -0.10 0.00 -2.12 0.00 0.00 56.10 54.74 5a3h s TRP 284 Cb 0.00 -4.06 0.08 0.00 -0.81 0.00 0.00 33.47 28.69 5a3h s TRP 284 CO 0.00 -3.48 1.11 0.95 -0.51 0.00 0.00 176.95 175.03 5a3h s THR 285 N -0.20 2.13 0.32 2.01 -4.23 -1.26 -4.95 115.64 109.46 5a3h s THR 285 Ca 0.61 -0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.99 5a3h s THR 285 Cb -0.47 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 70.66 5a3h s THR 285 CO 0.50 0.00 1.95 -0.33 -0.54 0.00 0.00 174.62 176.21 5a3h h GLU 286 N -0.89 0.95 0.00 3.99 3.07 -1.95 -2.08 114.58 117.67 5a3h h GLU 286 Ca -0.45 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.35 5a3h h GLU 286 Cb 1.31 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 29.01 5a3h h GLU 286 CO 0.60 0.63 -0.04 0.00 -1.40 0.00 0.00 179.01 178.80 5a3h h ALA 287 N 1.53 1.03 -0.01 3.43 0.00 -2.01 -2.80 119.26 120.43 5a3h h ALA 287 Ca 0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.20 5a3h h ALA 287 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 5a3h h ALA 287 CO -0.10 0.05 -0.16 0.39 0.00 0.00 0.00 179.25 179.43 5a3h n GLU 288 N -3.18 1.14 -3.90 0.00 1.02 -0.79 -4.79 120.64 110.14 5a3h n GLU 288 Ca -0.00 -0.66 -0.36 0.00 -0.02 0.00 0.00 57.16 56.12 5a3h n GLU 288 Cb 0.27 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.15 5a3h n GLU 288 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 5a3h s LEU 289 N -2.32 4.36 0.90 -4.62 1.43 -1.06 -0.34 118.68 117.03 5a3h s LEU 289 Ca 0.29 0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 53.68 5a3h s LEU 289 Cb 0.20 -2.23 0.16 0.00 0.03 0.00 0.00 46.19 44.35 5a3h s LEU 289 CO 0.45 0.36 1.25 -0.94 0.23 0.00 0.00 176.35 177.71 5a3h s SER 290 N -1.30 3.65 0.27 2.29 1.04 -0.52 -4.68 113.70 114.44 5a3h s SER 290 Ca 0.19 0.40 -0.03 0.00 0.48 0.00 0.00 55.95 56.99 5a3h s SER 290 Cb -0.12 -0.61 0.39 0.00 0.10 0.00 0.00 66.02 65.78 5a3h s SER 290 CO 0.08 -2.41 1.91 -0.65 0.98 0.00 0.00 173.24 173.15 5a3h h PRO 291 N -1.38 1.17 0.33 4.02 0.11 -1.88 0.96 132.00 135.33 5a3h h PRO 291 Ca -0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 5a3h h PRO 291 Cb 1.27 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.12 5a3h h PRO 291 CO 0.47 0.77 -0.16 1.03 -0.21 0.00 0.00 178.00 179.91 5a3h h SER 292 N 1.20 -0.38 -0.92 -2.05 0.87 -1.81 -2.84 113.55 107.62 5a3h h SER 292 Ca 0.40 -0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.94 5a3h h SER 292 Cb 0.06 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.06 5a3h h SER 292 CO -0.14 -0.14 0.60 1.23 -0.53 0.00 0.00 176.83 177.85 5a3h h GLY 293 N -0.61 1.36 1.00 5.77 0.00 -1.50 -0.71 103.07 108.38 5a3h h GLY 293 Ca -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.86 5a3h h GLY 293 CO 0.08 0.31 0.40 -0.84 0.00 0.00 0.00 176.54 176.48 5a3h h THR 294 N 1.06 1.18 -0.17 4.70 2.02 -0.80 -0.78 112.91 120.12 5a3h h THR 294 Ca 0.40 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 5a3h h THR 294 Cb 0.19 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 5a3h h THR 294 CO -0.15 0.18 -0.03 0.15 0.37 0.00 0.00 175.52 176.03 5a3h h PHE 295 N 0.86 0.36 -0.47 3.16 3.57 -1.23 -1.82 116.94 121.37 5a3h h PHE 295 Ca 0.23 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 5a3h h PHE 295 Cb -0.06 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 5a3h h PHE 295 CO -0.02 0.58 0.25 0.28 -2.23 0.00 0.00 178.31 177.16 5a3h h VAL 296 N 0.03 1.17 -0.53 1.41 2.07 -0.95 -0.50 116.25 118.95 5a3h h VAL 296 Ca 0.04 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.13 5a3h h VAL 296 Cb 0.46 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 5a3h h VAL 296 CO 0.02 0.19 0.31 -0.09 0.02 0.00 0.00 177.57 178.01 5a3h h ARG 297 N 0.61 0.60 -0.67 1.57 2.43 -1.13 -1.12 114.38 116.68 5a3h h ARG 297 Ca 0.16 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 5a3h h ARG 297 Cb 0.07 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 5a3h h ARG 297 CO -0.02 0.40 0.44 0.93 -1.51 0.00 0.00 179.97 180.20 5a3h h GLU 298 N 0.62 0.86 -0.53 0.20 5.08 -0.74 -0.00 114.58 120.06 5a3h h GLU 298 Ca 0.22 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 5a3h h GLU 298 Cb 0.04 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 5a3h h GLU 298 CO -0.10 0.57 0.35 0.87 -1.00 0.00 0.00 179.01 179.69 5a3h h LYS 299 N 0.88 0.71 -0.12 2.33 1.79 -0.35 -1.04 116.57 120.78 5a3h h LYS 299 Ca 0.25 -0.05 -0.17 0.00 -2.18 0.00 0.00 60.65 58.50 5a3h h LYS 299 Cb -0.07 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.42 5a3h h LYS 299 CO -0.07 0.48 -0.65 0.82 -1.08 0.00 0.00 179.45 178.95 5a3h h ILE 300 N 0.72 1.35 -0.70 1.86 2.04 -0.94 -2.51 117.51 119.34 5a3h h ILE 300 Ca 0.19 -1.98 -0.07 0.00 1.00 0.00 0.00 64.86 64.01 5a3h h ILE 300 Cb -0.07 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 5a3h h ILE 300 CO -0.04 0.60 0.17 0.03 0.00 0.00 0.00 178.15 178.91 5a3h h ARG 301 N 0.34 1.11 -0.18 2.37 3.08 -0.84 -2.18 114.38 118.07 5a3h h ARG 301 Ca -0.01 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.72 5a3h h ARG 301 Cb 1.21 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 5a3h h ARG 301 CO 0.12 0.98 -0.11 0.93 -1.07 0.00 0.00 179.97 180.82 5a3h h GLU 302 N 1.05 0.29 0.00 0.04 5.08 -1.13 -3.50 114.58 116.41 5a3h h GLU 302 Ca 0.22 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 5a3h h GLU 302 Cb 0.36 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.57 5a3h h GLU 302 CO 0.00 0.41 0.00 0.45 -1.00 0.00 0.00 179.01 178.87