#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3h h VAL 5 N 0.00 0.37 -0.12 -3.33 2.07 -1.88 -0.54 116.25 112.80 3a3h h VAL 5 Ca 0.00 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 3a3h h VAL 5 Cb 0.00 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3a3h h VAL 5 CO 0.00 0.00 -0.42 0.58 0.02 0.00 0.00 177.57 177.75 3a3h h VAL 6 N -0.73 1.31 -0.61 2.57 2.07 -1.73 0.25 116.25 119.39 3a3h h VAL 6 Ca -0.05 -1.54 -0.10 0.00 0.82 0.00 0.00 66.70 65.84 3a3h h VAL 6 Cb 0.61 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3a3h h VAL 6 CO 0.02 0.46 0.01 -0.08 0.02 0.00 0.00 177.57 178.00 3a3h h GLU 7 N 0.23 1.06 0.05 1.57 4.81 -1.80 0.26 114.58 120.77 3a3h h GLU 7 Ca 0.02 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3a3h h GLU 7 Cb 0.83 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3a3h h GLU 7 CO 0.07 1.03 -0.02 1.49 -0.73 0.00 0.00 179.01 180.85 3a3h h GLU 8 N 0.97 -0.06 0.00 1.92 4.81 -0.84 -3.36 114.58 118.02 3a3h h GLU 8 Ca 0.17 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.20 3a3h h GLU 8 Cb 0.55 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 3a3h h GLU 8 CO 0.03 0.49 -1.45 0.45 -0.73 0.00 0.00 179.01 177.79 3a3h h HIS 9 N -0.66 0.00 0.00 0.92 3.86 -0.98 -3.47 115.15 114.82 3a3h h HIS 9 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3a3h h HIS 9 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 3a3h h HIS 9 CO 0.12 0.73 0.00 0.41 0.86 0.00 0.00 177.93 180.05 3a3h n GLY 10 N 1.44 3.47 3.64 2.45 0.00 0.91 -1.93 105.19 115.17 3a3h n GLY 10 Ca -0.11 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3a3h n GLY 10 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3a3h s GLN 11 N 0.00 3.95 0.30 1.61 2.00 -1.26 -4.79 119.66 121.47 3a3h s GLN 11 Ca 0.00 1.95 -0.09 0.00 -2.00 0.00 0.00 55.36 55.22 3a3h s GLN 11 Cb 0.00 -4.03 -0.07 0.00 0.80 0.00 0.00 33.01 29.71 3a3h s GLN 11 CO 0.00 -1.12 0.62 -0.51 -0.50 0.00 0.00 175.29 173.78 3a3h s LEU 12 N 4.80 4.04 0.33 3.68 1.43 -1.26 -1.69 118.68 130.01 3a3h s LEU 12 Ca 0.74 0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 54.63 3a3h s LEU 12 Cb -0.30 -3.75 0.03 0.00 0.03 0.00 0.00 46.19 42.21 3a3h s LEU 12 CO 0.30 -0.20 0.68 -0.94 0.23 0.00 0.00 176.35 176.42 3a3h s SER 13 N -2.80 0.05 -0.20 2.29 1.04 -0.56 -4.62 113.70 108.90 3a3h s SER 13 Ca 0.48 -1.02 -0.05 0.00 0.48 0.00 0.00 55.95 55.84 3a3h s SER 13 Cb -0.11 0.75 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 3a3h s SER 13 CO 0.26 -1.46 -0.00 -0.63 0.98 0.00 0.00 173.24 172.38 3a3h s ILE 14 N -3.10 3.98 -0.15 -1.02 -1.09 -1.26 -1.02 121.20 117.54 3a3h s ILE 14 Ca 0.17 -0.31 -0.00 0.00 -2.23 0.00 0.00 60.65 58.29 3a3h s ILE 14 Cb -0.04 -2.80 0.03 0.00 -1.58 0.00 0.00 42.46 38.08 3a3h s ILE 14 CO 0.11 0.43 -0.08 -0.55 -1.23 0.00 0.00 174.94 173.63 3a3h s SER 15 N 0.92 2.61 -1.54 3.58 0.15 -0.14 -4.81 113.70 114.47 3a3h s SER 15 Ca 0.01 -0.51 -0.12 0.00 0.70 0.00 0.00 55.95 56.03 3a3h s SER 15 Cb -0.14 -0.96 0.08 0.00 -1.71 0.00 0.00 66.02 63.30 3a3h s SER 15 CO 0.02 -0.14 0.85 0.59 1.20 0.00 0.00 173.24 175.76 3a3h n ASN 16 N 4.87 -3.55 0.00 5.45 5.03 -1.26 -1.23 115.26 124.57 3a3h n ASN 16 Ca -0.13 -0.86 0.00 0.00 0.87 0.00 0.00 54.58 54.45 3a3h n ASN 16 Cb 0.49 -3.55 0.00 0.00 -1.02 0.00 0.00 39.78 35.70 3a3h n ASN 16 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3a3h n GLY 17 N -1.64 0.50 3.32 7.41 0.00 -1.26 -4.98 105.19 108.55 3a3h n GLY 17 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3a3h n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a3h s GLU 18 N -0.14 1.68 -0.04 1.61 0.41 -0.36 -3.98 118.70 117.87 3a3h s GLU 18 Ca 0.00 -1.09 -0.30 0.00 -0.41 0.00 0.00 54.97 53.17 3a3h s GLU 18 Cb 0.00 -1.86 -0.04 0.00 -1.78 0.00 0.00 34.13 30.45 3a3h s GLU 18 CO 0.00 0.48 1.25 -1.17 -0.49 0.00 0.00 175.26 175.32 3a3h s LEU 19 N -1.28 4.29 0.15 1.80 2.96 -1.26 -0.96 118.68 124.37 3a3h s LEU 19 Ca 0.11 1.88 0.05 0.00 -0.22 0.00 0.00 54.13 55.95 3a3h s LEU 19 Cb -0.10 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 3a3h s LEU 19 CO 0.02 -0.61 -0.11 0.68 -1.32 0.00 0.00 176.35 175.01 3a3h s VAL 20 N 2.24 1.22 0.35 1.68 -7.23 -0.19 -2.16 120.40 116.31 3a3h s VAL 20 Ca 0.58 -2.04 -0.04 0.00 -1.81 0.00 0.00 61.98 58.67 3a3h s VAL 20 Cb -0.26 -1.83 0.08 0.00 0.56 0.00 0.00 36.38 34.93 3a3h s VAL 20 CO 0.23 -0.71 0.47 -0.46 -0.31 0.00 0.00 175.10 174.33 3a3h n ASN 21 N -0.14 0.25 0.06 4.85 0.23 0.24 -1.50 115.26 119.25 3a3h n ASN 21 Ca -0.11 -1.30 0.09 0.00 -0.53 0.00 0.00 54.58 52.73 3a3h n ASN 21 Cb 0.60 -0.34 0.38 0.00 -2.08 0.00 0.00 39.78 38.34 3a3h n ASN 21 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3a3h n GLU 22 N -1.96 0.09 -0.29 -3.83 0.28 -0.68 -1.15 120.64 113.09 3a3h n GLU 22 Ca 0.07 0.35 0.09 0.00 -0.16 0.00 0.00 57.16 57.51 3a3h n GLU 22 Cb 0.23 -1.67 0.25 0.00 1.43 0.00 0.00 31.44 31.68 3a3h n GLU 22 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3a3h n ARG 23 N -1.84 2.79 -1.00 3.44 1.74 -1.26 -4.96 116.66 115.56 3a3h n ARG 23 Ca 0.03 -2.41 -0.00 0.00 -0.77 0.00 0.00 57.85 54.69 3a3h n ARG 23 Cb 0.18 -1.45 -0.00 0.00 -1.02 0.00 0.00 32.46 30.17 3a3h n ARG 23 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3a3h n GLY 24 N 1.19 0.48 3.82 -0.13 0.00 -0.30 -5.04 105.19 105.21 3a3h n GLY 24 Ca 0.19 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3a3h n GLY 24 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a3h s GLU 25 N -0.20 4.19 0.39 1.61 0.41 -1.26 -4.75 118.70 119.10 3a3h s GLU 25 Ca 0.00 0.76 -0.27 0.00 -0.41 0.00 0.00 54.97 55.05 3a3h s GLU 25 Cb 0.00 -2.99 -0.10 0.00 -1.78 0.00 0.00 34.13 29.26 3a3h s GLU 25 CO 0.00 0.48 1.46 -0.65 -0.49 0.00 0.00 175.26 176.06 3a3h s GLN 26 N -1.75 4.04 0.04 1.61 -0.21 -1.26 -0.59 119.66 121.53 3a3h s GLN 26 Ca 0.38 2.51 0.03 0.00 0.02 0.00 0.00 55.36 58.30 3a3h s GLN 26 Cb -0.17 -2.91 -0.02 0.00 1.00 0.00 0.00 33.01 30.91 3a3h s GLN 26 CO 0.20 -0.56 -0.09 0.14 -2.12 0.00 0.00 175.29 172.86 3a3h s VAL 27 N -1.14 0.67 -0.14 1.09 -7.23 -0.92 -4.81 120.40 107.93 3a3h s VAL 27 Ca 0.54 -0.92 0.01 0.00 -1.81 0.00 0.00 61.98 59.80 3a3h s VAL 27 Cb -0.45 -0.67 0.02 0.00 0.56 0.00 0.00 36.38 35.83 3a3h s VAL 27 CO 0.61 -0.20 -0.14 -1.58 -0.31 0.00 0.00 175.10 173.48 3a3h s GLN 28 N -1.23 2.18 -0.01 4.82 0.74 -1.26 -4.72 119.66 120.19 3a3h s GLN 28 Ca -0.05 -0.52 -0.13 0.00 0.05 0.00 0.00 55.36 54.71 3a3h s GLN 28 Cb -0.08 -1.99 -0.05 0.00 1.10 0.00 0.00 33.01 31.98 3a3h s GLN 28 CO 0.01 -0.20 0.37 -0.51 -0.55 0.00 0.00 175.29 174.40 3a3h s LEU 29 N 1.41 4.45 -0.03 3.68 1.43 -1.26 -4.99 118.68 123.37 3a3h s LEU 29 Ca 0.02 0.88 -0.00 0.00 -1.03 0.00 0.00 54.13 54.00 3a3h s LEU 29 Cb -0.13 -2.54 0.03 0.00 0.03 0.00 0.00 46.19 43.57 3a3h s LEU 29 CO -0.08 0.33 0.02 -0.54 0.23 0.00 0.00 176.35 176.31 3a3h s LYS 30 N -1.14 0.13 0.00 1.70 1.02 -1.25 -0.65 119.74 119.55 3a3h s LYS 30 Ca 0.23 0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.41 3a3h s LYS 30 Cb -0.16 -0.47 0.00 0.00 -0.52 0.00 0.00 37.83 36.68 3a3h s LYS 30 CO 0.12 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 3a3h n GLY 31 N 4.55 2.47 3.45 -3.33 0.00 -0.55 -2.06 105.19 109.73 3a3h n GLY 31 Ca -0.19 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 3a3h n GLY 31 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a3h s MET 32 N 0.91 1.67 -0.03 1.61 -1.94 -1.20 -1.29 119.30 119.03 3a3h s MET 32 Ca 0.00 -1.23 -0.02 0.00 -1.71 0.00 0.00 55.69 52.73 3a3h s MET 32 Cb 0.00 -2.04 -0.04 0.00 2.01 0.00 0.00 34.83 34.76 3a3h s MET 32 CO 0.00 0.47 0.12 0.45 -0.01 0.00 0.00 175.02 176.05 3a3h s SER 33 N -2.06 6.00 1.09 3.03 0.15 0.42 -1.17 113.70 121.15 3a3h s SER 33 Ca 0.16 0.27 -0.13 0.00 0.70 0.00 0.00 55.95 56.95 3a3h s SER 33 Cb -0.10 -1.82 0.24 0.00 -1.71 0.00 0.00 66.02 62.62 3a3h s SER 33 CO 0.08 0.30 1.07 -0.94 1.20 0.00 0.00 173.24 174.95 3a3h s SER 34 N -1.60 1.79 0.17 5.45 1.04 0.00 -0.52 113.70 120.04 3a3h s SER 34 Ca 0.22 1.22 0.00 0.00 0.48 0.00 0.00 55.95 57.87 3a3h s SER 34 Cb -0.12 -1.90 0.00 0.00 0.10 0.00 0.00 66.02 64.09 3a3h s SER 34 CO 0.13 -3.66 0.00 1.57 0.98 0.00 0.00 173.24 172.26 3a3h n HIS 35 N -4.53 -1.12 -1.81 5.02 -0.00 -1.26 -4.49 115.22 107.04 3a3h n HIS 35 Ca 0.05 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.81 3a3h n HIS 35 Cb 0.57 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.41 3a3h n HIS 35 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 3a3h s GLY 36 N -1.49 1.35 0.60 1.57 0.00 -1.26 -4.36 107.32 103.73 3a3h s GLY 36 Ca 0.00 1.50 0.38 0.00 0.00 0.00 0.00 44.72 46.60 3a3h s GLY 36 CO 0.00 2.80 2.17 1.41 0.00 0.00 0.00 173.10 179.48 3a3h h LEU 37 N 6.93 0.00 -0.12 0.66 3.38 -1.79 -0.36 115.31 124.01 3a3h h LEU 37 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3a3h h LEU 37 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3a3h h LEU 37 CO 0.94 0.01 0.00 0.00 0.09 0.00 0.00 178.44 179.48 3a3h n GLN 38 N -3.11 0.17 -0.03 1.13 0.00 -1.26 -3.12 117.38 111.16 3a3h n GLN 38 Ca -0.01 0.20 -0.04 0.00 0.00 0.00 0.00 57.00 57.15 3a3h n GLN 38 Cb 0.20 -1.72 -0.02 0.00 0.00 0.00 0.00 30.24 28.69 3a3h n GLN 38 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.06 177.97 3a3h n TRP 39 N -2.03 0.00 -2.33 2.61 8.01 -0.69 -4.86 117.44 118.16 3a3h n TRP 39 Ca 0.05 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.16 3a3h n TRP 39 Cb 0.36 -0.19 0.05 0.00 -2.01 0.00 0.00 31.31 29.52 3a3h n TRP 39 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3a3h n TYR 40 N -2.76 1.55 0.31 -5.99 4.01 -0.23 -4.85 117.16 109.20 3a3h n TYR 40 Ca -0.09 -1.91 0.20 0.00 -0.16 0.00 0.00 57.90 55.94 3a3h n TYR 40 Cb 0.59 -0.27 1.00 0.00 -0.31 0.00 0.00 39.34 40.35 3a3h n TYR 40 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3a3h h GLY 41 N 2.06 0.00 2.00 2.72 0.00 -1.68 -2.83 103.07 105.34 3a3h h GLY 41 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3a3h h GLY 41 CO 0.38 0.00 -0.05 0.06 0.00 0.00 0.00 176.54 176.93 3a3h h GLN 42 N 0.00 0.00 -0.03 4.80 -0.00 -1.88 -1.66 115.11 116.34 3a3h h GLN 42 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3a3h h GLN 42 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.68 3a3h h GLN 42 CO 0.00 0.05 0.00 1.19 -0.00 0.00 0.00 178.83 180.07 3a3h n PHE 43 N -3.35 0.04 -3.74 0.06 3.72 -1.07 -4.63 117.46 108.49 3a3h n PHE 43 Ca -0.02 -0.02 -0.37 0.00 -0.05 0.00 0.00 57.45 56.99 3a3h n PHE 43 Cb 0.19 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.62 3a3h n PHE 43 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3a3h s VAL 44 N -1.96 3.52 0.18 -4.37 1.01 -0.62 -4.76 120.40 113.39 3a3h s VAL 44 Ca 0.38 -1.81 -0.23 0.00 0.00 0.00 0.00 61.98 60.32 3a3h s VAL 44 Cb 0.19 -3.30 0.05 0.00 0.00 0.00 0.00 36.38 33.33 3a3h s VAL 44 CO 0.31 -0.59 0.75 0.54 0.00 0.00 0.00 175.10 176.12 3a3h s ASN 45 N 1.89 -0.35 0.21 3.32 2.20 -1.26 -4.89 114.94 116.05 3a3h s ASN 45 Ca 0.05 -0.30 -0.09 0.00 -0.94 0.00 0.00 52.86 51.58 3a3h s ASN 45 Cb -0.23 0.60 0.27 0.00 -2.00 0.00 0.00 41.25 39.89 3a3h s ASN 45 CO -0.02 -1.05 1.76 0.22 -2.94 0.00 0.00 177.10 175.07 3a3h h TYR 46 N 2.00 0.50 -0.51 1.54 3.20 -1.95 -1.07 116.97 120.67 3a3h h TYR 46 Ca -0.25 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.60 3a3h h TYR 46 Cb 1.26 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 3a3h h TYR 46 CO 0.34 0.17 0.13 1.49 -1.64 0.00 0.00 178.16 178.65 3a3h h GLU 47 N 0.50 0.81 -0.43 1.82 4.81 -1.95 0.63 114.58 120.76 3a3h h GLU 47 Ca 0.31 -0.19 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 3a3h h GLU 47 Cb 0.33 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3a3h h GLU 47 CO -0.27 0.77 -0.25 0.66 -0.73 0.00 0.00 179.01 179.20 3a3h h SER 48 N 0.70 0.93 -0.45 1.04 4.64 -1.49 -1.11 113.55 117.82 3a3h h SER 48 Ca 0.16 -0.36 -0.08 0.00 -0.47 0.00 0.00 61.79 61.04 3a3h h SER 48 Cb 0.32 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3a3h h SER 48 CO -0.00 1.13 -0.02 -0.03 -0.87 0.00 0.00 176.83 177.04 3a3h h MET 49 N 0.78 0.87 -0.65 4.77 1.85 -1.05 -0.39 114.93 121.11 3a3h h MET 49 Ca 0.10 -0.25 -0.08 0.00 -0.61 0.00 0.00 59.70 58.86 3a3h h MET 49 Cb 0.81 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.72 3a3h h MET 49 CO 0.07 0.88 0.11 -0.22 -0.40 0.00 0.00 176.91 177.34 3a3h h LYS 50 N 0.80 1.06 -0.51 0.39 3.64 -0.70 0.63 116.57 121.89 3a3h h LYS 50 Ca 0.15 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 3a3h h LYS 50 Cb 0.51 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3a3h h LYS 50 CO 0.03 0.97 0.25 2.35 -2.27 0.00 0.00 179.45 180.78 3a3h h TRP 51 N 0.99 0.72 -0.76 1.91 2.91 -0.89 0.61 115.95 121.45 3a3h h TRP 51 Ca 0.20 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.18 3a3h h TRP 51 Cb 0.42 -0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 28.81 3a3h h TRP 51 CO 0.03 0.56 0.43 -0.07 -1.03 0.00 0.00 178.44 178.36 3a3h h LEU 52 N 0.68 0.93 -0.10 0.65 3.38 -0.74 0.23 115.31 120.33 3a3h h LEU 52 Ca 0.18 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3a3h h LEU 52 Cb 0.10 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3a3h h LEU 52 CO -0.02 0.75 0.05 -0.09 0.09 0.00 0.00 178.44 179.21 3a3h h ARG 53 N 1.04 0.15 0.18 1.13 2.43 -0.38 -1.18 114.38 117.75 3a3h h ARG 53 Ca 0.27 -0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 59.11 3a3h h ARG 53 Cb 0.01 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3a3h h ARG 53 CO -0.05 0.24 -1.34 -0.44 -1.51 0.00 0.00 179.97 176.88 3a3h h ASP 54 N 0.03 0.67 0.11 -3.80 3.32 -0.70 -2.39 116.42 113.64 3a3h h ASP 54 Ca 0.03 -0.69 -0.37 0.00 0.02 0.00 0.00 57.03 56.02 3a3h h ASP 54 Cb 0.14 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 3a3h h ASP 54 CO -0.00 1.54 -2.17 -0.67 -1.72 0.00 0.00 179.24 176.21 3a3h n ASP 55 N -3.65 1.82 0.04 6.45 2.03 0.80 -4.43 116.55 119.62 3a3h n ASP 55 Ca -0.13 0.09 0.06 0.00 0.52 0.00 0.00 54.79 55.34 3a3h n ASP 55 Cb 1.05 -0.51 -0.08 0.00 -0.72 0.00 0.00 41.12 40.86 3a3h n ASP 55 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 3a3h n TRP 56 N -3.32 0.67 -0.66 -0.67 7.02 -0.67 -4.92 117.44 114.89 3a3h n TRP 56 Ca -0.36 0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 3a3h n TRP 56 Cb 1.04 -0.89 0.00 0.00 -2.42 0.00 0.00 31.31 29.03 3a3h n TRP 56 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3a3h n GLY 57 N 1.31 0.62 3.74 6.99 0.00 -0.54 -2.93 105.19 114.38 3a3h n GLY 57 Ca -0.07 -0.41 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 3a3h n GLY 57 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a3h s ILE 58 N -2.00 2.13 0.00 -0.61 -4.36 -0.97 -4.92 121.20 110.47 3a3h s ILE 58 Ca 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 60.65 60.47 3a3h s ILE 58 Cb 0.00 -3.04 0.00 0.00 1.25 0.00 0.00 42.46 40.67 3a3h s ILE 58 CO 0.00 -0.01 0.79 -0.46 0.24 0.00 0.00 174.94 175.50 3a3h n ASN 59 N -1.70 1.29 -3.72 4.36 0.23 -0.87 -4.55 115.26 110.29 3a3h n ASN 59 Ca 0.15 -1.62 -0.14 0.00 -0.53 0.00 0.00 54.58 52.44 3a3h n ASN 59 Cb 0.48 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.09 3a3h n ASN 59 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3a3h s VAL 60 N -0.62 0.04 -0.02 3.53 0.11 -1.25 -1.46 120.40 120.73 3a3h s VAL 60 Ca 0.00 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 58.76 3a3h s VAL 60 Cb 0.00 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 3a3h s VAL 60 CO 0.00 -0.17 -0.07 0.12 -3.33 0.00 0.00 175.10 171.65 3a3h s PHE 61 N -1.00 0.77 -0.18 1.54 5.36 -0.61 -3.27 117.98 120.60 3a3h s PHE 61 Ca -0.11 -0.18 -0.03 0.00 -0.96 0.00 0.00 56.93 55.65 3a3h s PHE 61 Cb -0.04 -0.57 -0.02 0.00 -0.34 0.00 0.00 43.02 42.05 3a3h s PHE 61 CO 0.04 -0.09 -0.05 0.50 -1.46 0.00 0.00 175.22 174.16 3a3h s ARG 62 N 0.24 3.51 -0.50 10.12 3.52 -0.31 -0.92 118.95 134.60 3a3h s ARG 62 Ca -0.03 -0.59 -0.18 0.00 -0.13 0.00 0.00 55.73 54.80 3a3h s ARG 62 Cb -0.08 -2.91 0.07 0.00 -1.56 0.00 0.00 34.95 30.47 3a3h s ARG 62 CO 0.00 0.05 0.54 0.00 -0.81 0.00 0.00 175.30 175.09 3a3h s ALA 63 N 0.83 3.46 -0.86 6.12 0.00 -0.29 -0.81 121.76 130.21 3a3h s ALA 63 Ca -0.01 -1.95 -0.21 0.00 0.00 0.00 0.00 51.96 49.79 3a3h s ALA 63 Cb -0.15 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 19.81 3a3h s ALA 63 CO 0.01 -1.93 1.15 0.00 0.00 0.00 0.00 175.76 174.99 3a3h s ALA 64 N 2.23 3.15 -0.93 0.00 0.00 -1.26 -2.13 121.76 122.82 3a3h s ALA 64 Ca 0.10 -2.35 -0.17 0.00 0.00 0.00 0.00 51.96 49.54 3a3h s ALA 64 Cb -0.22 -4.09 0.16 0.00 0.00 0.00 0.00 23.12 18.97 3a3h s ALA 64 CO 0.09 -3.05 1.05 1.41 0.00 0.00 0.00 175.76 175.25 3a3h s MET 65 N 3.63 3.66 0.35 0.00 1.75 -0.73 -2.23 119.30 125.74 3a3h s MET 65 Ca 0.32 -2.08 -0.26 0.00 -1.25 0.00 0.00 55.69 52.42 3a3h s MET 65 Cb -0.07 -4.77 -0.12 0.00 2.84 0.00 0.00 34.83 32.70 3a3h s MET 65 CO -0.03 -1.61 1.07 0.66 -0.65 0.00 0.00 175.02 174.46 3a3h n TYR 66 N 5.59 1.45 -0.09 4.11 4.02 -1.26 -1.17 117.16 129.81 3a3h n TYR 66 Ca 0.22 0.61 -0.21 0.00 -0.01 0.00 0.00 57.90 58.51 3a3h n TYR 66 Cb 0.48 -2.28 -0.12 0.00 -0.02 0.00 0.00 39.34 37.40 3a3h n TYR 66 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 3a3h h THR 67 N 1.93 0.99 -2.73 -0.72 1.35 -1.87 0.50 112.91 112.36 3a3h h THR 67 Ca -0.43 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 63.22 3a3h h THR 67 Cb 1.33 2.37 0.00 0.00 -1.73 0.00 0.00 68.15 70.12 3a3h h THR 67 CO 0.59 0.39 0.00 -0.24 -0.25 0.00 0.00 175.52 176.02 3a3h n SER 68 N -4.37 0.00 -3.75 5.36 2.88 -1.26 -0.98 113.62 111.50 3a3h n SER 68 Ca -0.30 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 56.96 3a3h n SER 68 Cb 0.70 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.19 3a3h n SER 68 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3a3h n SER 69 N 0.00 -5.15 0.00 -3.46 7.64 -1.26 -0.79 113.62 110.60 3a3h n SER 69 Ca 0.00 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.21 3a3h n SER 69 Cb 0.00 -4.10 0.00 0.00 -1.01 0.00 0.00 64.21 59.10 3a3h n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a3h n GLY 70 N -1.70 0.66 0.00 0.23 0.00 -1.26 -5.02 105.19 98.10 3a3h n GLY 70 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3a3h n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a3h n GLY 71 N -2.64 0.94 0.34 -0.02 0.00 0.03 -4.45 105.19 99.39 3a3h n GLY 71 Ca 0.00 -1.50 0.09 0.00 0.00 0.00 0.00 46.02 44.61 3a3h n GLY 71 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3a3h h TYR 72 N 0.00 0.99 -0.61 1.61 3.20 -0.64 0.25 116.97 121.78 3a3h h TYR 72 Ca 0.00 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 3a3h h TYR 72 Cb 0.00 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 37.95 3a3h h TYR 72 CO 0.00 0.29 0.08 0.82 -1.64 0.00 0.00 178.16 177.71 3a3h h ILE 73 N 0.79 1.26 0.04 1.81 1.08 -1.32 -2.57 117.51 118.61 3a3h h ILE 73 Ca 0.51 -1.03 -0.23 0.00 -0.39 0.00 0.00 64.86 63.73 3a3h h ILE 73 Cb 0.68 0.73 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 3a3h h ILE 73 CO -0.33 0.38 -1.03 0.44 -0.69 0.00 0.00 178.15 176.92 3a3h h ASP 74 N 0.93 0.23 -1.84 1.72 3.32 -1.52 -3.42 116.42 115.84 3a3h h ASP 74 Ca 0.18 -0.22 -0.23 0.00 0.02 0.00 0.00 57.03 56.78 3a3h h ASP 74 Cb 0.45 -0.07 -0.30 0.00 0.22 0.00 0.00 39.33 39.63 3a3h h ASP 74 CO 0.02 1.11 -0.57 -0.62 -1.72 0.00 0.00 179.24 177.46 3a3h s ASP 75 N -6.93 0.79 0.00 6.45 -1.08 0.00 -5.03 116.67 110.87 3a3h s ASP 75 Ca -0.02 -0.50 0.16 0.00 -0.52 0.00 0.00 52.55 51.67 3a3h s ASP 75 Cb 0.09 0.92 0.68 0.00 -1.46 0.00 0.00 42.92 43.15 3a3h s ASP 75 CO 0.84 -0.37 1.50 -0.81 0.52 0.00 0.00 175.17 176.86 3a3h n PRO 76 N 5.34 0.02 0.23 4.34 -0.04 -0.97 -3.46 135.00 140.45 3a3h n PRO 76 Ca -0.00 0.22 0.17 0.00 -0.04 0.00 0.00 63.50 63.85 3a3h n PRO 76 Cb 0.48 -1.50 0.85 0.00 -0.04 0.00 0.00 33.50 33.30 3a3h n PRO 76 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3a3h h SER 77 N 0.00 0.00 0.07 3.54 4.64 -1.93 -1.01 113.55 118.86 3a3h h SER 77 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a3h h SER 77 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3a3h h SER 77 CO 0.00 0.00 -0.00 1.62 -0.87 0.00 0.00 176.83 177.58 3a3h h VAL 78 N 0.00 0.06 0.00 0.95 3.04 -1.93 -0.90 116.25 117.46 3a3h h VAL 78 Ca 0.07 -0.04 -0.02 0.00 -1.01 0.00 0.00 66.70 65.69 3a3h h VAL 78 Cb 0.42 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 30.73 3a3h h VAL 78 CO -0.00 0.00 -0.11 0.07 -1.01 0.00 0.00 177.57 176.52 3a3h h LYS 79 N 0.00 0.00 0.00 4.17 2.10 -1.48 -1.20 116.57 120.16 3a3h h LYS 79 Ca -0.00 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.58 3a3h h LYS 79 Cb 0.04 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 3a3h h LYS 79 CO 0.00 0.11 -0.34 0.93 -2.00 0.00 0.00 179.45 178.15 3a3h h GLU 80 N 0.00 0.00 -0.06 0.07 4.39 -1.37 -1.56 114.58 116.04 3a3h h GLU 80 Ca -0.00 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.53 3a3h h GLU 80 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3a3h h GLU 80 CO 0.01 0.34 -0.71 -0.22 -1.16 0.00 0.00 179.01 177.28 3a3h h LYS 81 N 0.00 0.32 -0.33 2.33 1.63 -1.36 -0.41 116.57 118.74 3a3h h LYS 81 Ca -0.00 -0.26 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 3a3h h LYS 81 Cb 0.97 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.64 3a3h h LYS 81 CO 0.04 0.90 0.21 0.28 -3.45 0.00 0.00 179.45 177.43 3a3h h VAL 82 N 0.22 1.10 -0.78 2.00 2.07 -1.00 -1.00 116.25 118.85 3a3h h VAL 82 Ca -0.02 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3a3h h VAL 82 Cb 1.27 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 3a3h h VAL 82 CO 0.12 0.10 0.50 0.11 0.02 0.00 0.00 177.57 178.41 3a3h h LYS 83 N 0.44 0.94 -0.56 1.57 1.57 -1.02 -0.60 116.57 118.90 3a3h h LYS 83 Ca 0.12 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3a3h h LYS 83 Cb -0.02 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.03 3a3h h LYS 83 CO -0.02 0.62 0.28 1.49 -0.57 0.00 0.00 179.45 181.25 3a3h h GLU 84 N 0.97 0.52 -0.72 3.15 4.81 -0.77 -0.19 114.58 122.35 3a3h h GLU 84 Ca 0.31 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.47 3a3h h GLU 84 Cb 0.02 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3a3h h GLU 84 CO -0.12 0.35 0.29 0.00 -0.73 0.00 0.00 179.01 178.80 3a3h h ALA 85 N 1.31 0.93 -0.30 2.92 0.00 -0.33 -1.20 119.26 122.59 3a3h h ALA 85 Ca 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3a3h h ALA 85 Cb 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3a3h h ALA 85 CO -0.18 0.56 0.08 0.28 0.00 0.00 0.00 179.25 179.99 3a3h h VAL 86 N 1.03 1.21 -0.67 0.00 2.07 -0.66 -0.91 116.25 118.33 3a3h h VAL 86 Ca 0.24 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 3a3h h VAL 86 Cb 0.21 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3a3h h VAL 86 CO -0.02 0.23 0.18 -0.33 0.02 0.00 0.00 177.57 177.64 3a3h h GLU 87 N 0.32 1.04 -0.59 1.57 5.08 -0.92 -0.46 114.58 120.63 3a3h h GLU 87 Ca 0.09 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 3a3h h GLU 87 Cb 0.26 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3a3h h GLU 87 CO -0.00 0.91 0.24 0.00 -1.00 0.00 0.00 179.01 179.16 3a3h h ALA 88 N 1.19 0.76 -0.78 3.43 0.00 -1.02 0.84 119.26 123.68 3a3h h ALA 88 Ca 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3a3h h ALA 88 Cb 0.33 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3a3h h ALA 88 CO -0.00 0.37 0.44 0.00 0.00 0.00 0.00 179.25 180.06 3a3h h ALA 89 N 1.09 1.00 -0.44 0.00 0.00 -0.60 0.87 119.26 121.18 3a3h h ALA 89 Ca 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3a3h h ALA 89 Cb 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3a3h h ALA 89 CO -0.02 0.51 0.19 0.82 0.00 0.00 0.00 179.25 180.75 3a3h h ILE 90 N 1.08 1.20 -0.15 0.00 2.04 -0.74 0.45 117.51 121.38 3a3h h ILE 90 Ca 0.28 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 3a3h h ILE 90 Cb 0.02 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3a3h h ILE 90 CO -0.05 0.22 -0.24 0.44 0.00 0.00 0.00 178.15 178.53 3a3h h ASP 91 N 0.57 0.27 0.16 1.72 3.32 -0.24 -2.75 116.42 119.47 3a3h h ASP 91 Ca 0.15 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3a3h h ASP 91 Cb 0.17 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3a3h h ASP 91 CO -0.01 0.51 -0.21 0.18 -1.72 0.00 0.00 179.24 177.98 3a3h n LEU 92 N -4.17 1.23 -3.50 1.55 4.77 0.25 -4.96 117.00 112.16 3a3h n LEU 92 Ca -0.01 -0.36 -0.19 0.00 -0.03 0.00 0.00 56.01 55.42 3a3h n LEU 92 Cb 0.36 -0.09 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 3a3h n LEU 92 CO 0.40 0.22 0.14 -0.67 -1.33 0.00 0.00 177.39 176.14 3a3h n ASP 93 N -0.40 -3.15 -4.44 -1.43 2.03 0.05 -4.81 116.55 104.39 3a3h n ASP 93 Ca 0.13 -0.61 -0.21 0.00 0.52 0.00 0.00 54.79 54.61 3a3h n ASP 93 Cb 0.36 -5.02 -0.10 0.00 -0.72 0.00 0.00 41.12 35.63 3a3h n ASP 93 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3a3h s ILE 94 N -3.37 1.54 0.56 5.18 -4.36 -0.58 -1.89 121.20 118.29 3a3h s ILE 94 Ca 0.16 -2.09 -0.12 0.00 -0.26 0.00 0.00 60.65 58.35 3a3h s ILE 94 Cb -0.07 -2.55 -0.05 0.00 1.25 0.00 0.00 42.46 41.03 3a3h s ILE 94 CO 0.74 -0.22 0.98 -0.31 0.24 0.00 0.00 174.94 176.36 3a3h s TYR 95 N -3.07 3.56 -0.04 1.37 2.02 -0.53 -4.40 117.35 116.25 3a3h s TYR 95 Ca 0.31 1.28 -0.03 0.00 -0.37 0.00 0.00 57.07 58.27 3a3h s TYR 95 Cb 0.05 -2.68 0.02 0.00 -0.40 0.00 0.00 41.96 38.95 3a3h s TYR 95 CO 0.13 -0.52 0.11 0.54 -1.57 0.00 0.00 175.55 174.24 3a3h s VAL 96 N -2.92 -0.02 -0.20 0.71 0.11 0.03 -1.57 120.40 116.54 3a3h s VAL 96 Ca 0.55 0.07 -0.07 0.00 -2.93 0.00 0.00 61.98 59.61 3a3h s VAL 96 Cb -0.11 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 3a3h s VAL 96 CO 0.45 0.03 0.05 -0.63 -3.33 0.00 0.00 175.10 171.67 3a3h s ILE 97 N 0.48 4.48 -0.48 7.04 1.01 -0.10 -1.05 121.20 132.59 3a3h s ILE 97 Ca -0.04 -0.13 -0.18 0.00 0.00 0.00 0.00 60.65 60.30 3a3h s ILE 97 Cb -0.05 -3.03 0.05 0.00 0.01 0.00 0.00 42.46 39.44 3a3h s ILE 97 CO -0.02 0.43 0.54 -0.63 0.00 0.00 0.00 174.94 175.26 3a3h s ILE 98 N 0.74 4.99 -0.32 2.92 1.01 -0.28 -1.14 121.20 129.12 3a3h s ILE 98 Ca 0.02 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.06 3a3h s ILE 98 Cb -0.14 -4.20 0.02 0.00 0.01 0.00 0.00 42.46 38.15 3a3h s ILE 98 CO 0.02 -0.67 0.11 -0.62 0.00 0.00 0.00 174.94 173.79 3a3h s ASP 99 N 2.44 5.32 -0.90 3.58 2.15 -0.90 -0.18 116.67 128.18 3a3h s ASP 99 Ca 0.13 -0.85 -0.25 0.00 0.43 0.00 0.00 52.55 52.01 3a3h s ASP 99 Cb -0.19 -1.91 0.04 0.00 -0.30 0.00 0.00 42.92 40.55 3a3h s ASP 99 CO 0.12 -0.26 1.38 0.86 -0.17 0.00 0.00 175.17 177.09 3a3h s TRP 100 N 1.49 2.42 -1.25 -5.34 -0.11 -0.36 -1.77 118.94 114.03 3a3h s TRP 100 Ca 0.02 -0.50 -0.11 0.00 1.22 0.00 0.00 56.10 56.73 3a3h s TRP 100 Cb -0.18 -4.67 0.17 0.00 -1.50 0.00 0.00 33.47 27.29 3a3h s TRP 100 CO 0.04 -2.00 1.67 1.58 -4.62 0.00 0.00 176.95 173.62 3a3h n HIS 101 N 9.10 3.85 -2.31 5.86 -0.00 -0.31 -1.49 115.22 129.92 3a3h n HIS 101 Ca 0.20 -3.05 -0.35 0.00 0.46 0.00 0.00 57.72 54.98 3a3h n HIS 101 Cb 0.50 -2.05 -0.01 0.00 -0.12 0.00 0.00 29.99 28.32 3a3h n HIS 101 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 3a3h s ILE 102 N 0.87 3.27 0.00 3.57 -4.36 -1.26 -2.79 121.20 120.51 3a3h s ILE 102 Ca 0.41 0.80 0.00 0.00 -0.26 0.00 0.00 60.65 61.60 3a3h s ILE 102 Cb 0.04 -3.33 0.00 0.00 1.25 0.00 0.00 42.46 40.42 3a3h s ILE 102 CO 0.00 -0.16 0.00 -0.11 0.24 0.00 0.00 174.94 174.92 3a3h n LEU 103 N -1.17 0.00 0.15 0.37 7.94 -1.26 -3.19 117.00 119.83 3a3h n LEU 103 Ca 0.11 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 55.03 3a3h n LEU 103 Cb 0.51 0.03 0.35 0.00 0.53 0.00 0.00 43.42 44.84 3a3h n LEU 103 CO 0.42 -0.03 0.76 0.77 -1.11 0.00 0.00 177.39 178.20 3a3h h SER 104 N 0.00 0.11 -1.24 1.96 4.64 -1.92 -3.06 113.55 114.04 3a3h h SER 104 Ca 0.00 -0.03 -0.70 0.00 -0.47 0.00 0.00 61.79 60.59 3a3h h SER 104 Cb 0.00 -0.03 -0.11 0.00 -0.31 0.00 0.00 62.40 61.95 3a3h h SER 104 CO 0.00 0.42 1.97 -0.90 -0.87 0.00 0.00 176.83 177.45 3a3h n ASP 105 N -4.14 5.02 0.23 4.97 5.75 -1.26 -4.81 116.55 122.30 3a3h n ASP 105 Ca -0.02 -2.94 0.15 0.00 -0.01 0.00 0.00 54.79 51.97 3a3h n ASP 105 Cb 0.38 -1.70 0.49 0.00 -1.03 0.00 0.00 41.12 39.26 3a3h n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3a3h h ASN 106 N 7.42 0.00 -3.44 -1.12 -1.07 -1.83 -3.41 115.58 112.14 3a3h h ASN 106 Ca 0.41 0.00 -0.63 0.00 0.07 0.00 0.00 56.30 56.15 3a3h h ASN 106 Cb 0.87 0.00 -0.18 0.00 -2.07 0.00 0.00 38.32 36.94 3a3h h ASN 106 CO 1.40 0.00 -0.58 -0.62 0.07 0.00 0.00 177.43 177.70 3a3h s ASP 107 N -5.54 5.47 0.57 6.14 -1.08 -1.26 -1.45 116.67 119.52 3a3h s ASP 107 Ca 0.04 -0.02 0.37 0.00 -0.52 0.00 0.00 52.55 52.43 3a3h s ASP 107 Cb 0.08 -1.95 1.85 0.00 -1.46 0.00 0.00 42.92 41.44 3a3h s ASP 107 CO 0.56 0.10 2.13 1.55 0.52 0.00 0.00 175.17 180.03 3a3h h PRO 108 N 7.24 0.00 0.00 4.34 0.13 -1.91 -1.94 132.00 139.86 3a3h h PRO 108 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3a3h h PRO 108 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3a3h h PRO 108 CO 0.65 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.51 3a3h h ASN 109 N 0.00 0.00 -0.29 1.44 2.35 -1.94 -3.17 115.58 113.97 3a3h h ASN 109 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3a3h h ASN 109 Cb 0.21 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.51 3a3h h ASN 109 CO 0.00 0.00 -0.14 0.40 -1.65 0.00 0.00 177.43 176.04 3a3h h ILE 110 N 0.00 0.57 -0.77 2.81 2.04 -1.71 -2.72 117.51 117.73 3a3h h ILE 110 Ca 0.00 0.00 -0.54 0.00 1.00 0.00 0.00 64.86 65.32 3a3h h ILE 110 Cb 0.51 0.57 -0.35 0.00 -0.74 0.00 0.00 36.82 36.81 3a3h h ILE 110 CO 0.00 0.00 -0.24 -1.22 0.00 0.00 0.00 178.15 176.69 3a3h n TYR 111 N -5.31 2.68 0.15 1.37 4.01 -1.23 -4.79 117.16 114.04 3a3h n TYR 111 Ca 0.00 -2.39 0.03 0.00 -0.16 0.00 0.00 57.90 55.38 3a3h n TYR 111 Cb 0.23 -0.68 0.41 0.00 -0.31 0.00 0.00 39.34 38.98 3a3h n TYR 111 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3a3h h LYS 112 N 1.99 0.16 -0.30 -0.72 2.10 -1.45 -0.08 116.57 118.27 3a3h h LYS 112 Ca 0.42 -0.04 -0.11 0.00 -2.00 0.00 0.00 60.65 58.92 3a3h h LYS 112 Cb 1.34 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.64 3a3h h LYS 112 CO 0.96 0.34 -0.25 0.93 -2.00 0.00 0.00 179.45 179.42 3a3h h GLU 113 N 0.15 0.71 -0.48 0.07 4.39 -1.86 -0.60 114.58 116.96 3a3h h GLU 113 Ca 0.03 -0.36 -0.08 0.00 0.34 0.00 0.00 59.36 59.29 3a3h h GLU 113 Cb 0.41 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3a3h h GLU 113 CO 0.03 0.97 -0.04 0.93 -1.16 0.00 0.00 179.01 179.73 3a3h h GLU 114 N 0.46 0.83 -0.48 2.33 3.07 -1.82 -2.08 114.58 116.88 3a3h h GLU 114 Ca 0.05 -0.25 -0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3a3h h GLU 114 Cb 0.82 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.62 3a3h h GLU 114 CO 0.07 0.86 0.28 0.00 -1.40 0.00 0.00 179.01 178.82 3a3h h ALA 115 N 1.18 0.62 -0.56 3.43 0.00 -0.74 -0.11 119.26 123.08 3a3h h ALA 115 Ca 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a3h h ALA 115 Cb 0.52 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3a3h h ALA 115 CO 0.03 0.11 0.34 0.87 0.00 0.00 0.00 179.25 180.60 3a3h h LYS 116 N 0.64 0.76 -0.45 0.00 1.57 -0.88 0.12 116.57 118.33 3a3h h LYS 116 Ca 0.17 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3a3h h LYS 116 Cb 0.01 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3a3h h LYS 116 CO -0.03 0.55 0.01 -0.44 -0.57 0.00 0.00 179.45 178.97 3a3h h ASP 117 N 0.76 0.77 -0.35 0.86 3.32 -1.13 -0.32 116.42 120.33 3a3h h ASP 117 Ca 0.20 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 3a3h h ASP 117 Cb -0.02 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3a3h h ASP 117 CO -0.04 0.88 0.17 0.15 -1.72 0.00 0.00 179.24 178.68 3a3h h PHE 118 N 0.63 0.49 0.00 4.55 3.57 -0.72 -1.27 116.94 124.19 3a3h h PHE 118 Ca 0.13 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.52 3a3h h PHE 118 Cb 0.48 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3a3h h PHE 118 CO 0.04 0.42 -0.43 0.74 -2.23 0.00 0.00 178.31 176.84 3a3h h PHE 119 N 0.43 0.00 0.11 0.41 0.04 -0.69 -0.71 116.94 116.52 3a3h h PHE 119 Ca 0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 3a3h h PHE 119 Cb 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.26 3a3h h PHE 119 CO -0.02 0.43 -0.05 0.22 -0.60 0.00 0.00 178.31 178.29 3a3h h ASP 120 N 0.00 -0.12 -0.35 2.17 3.58 -0.79 -0.76 116.42 120.15 3a3h h ASP 120 Ca -0.00 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 3a3h h ASP 120 Cb 0.88 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.94 3a3h h ASP 120 CO 0.06 -0.04 0.22 -0.08 -2.88 0.00 0.00 179.24 176.52 3a3h h GLU 121 N -0.20 0.47 -0.58 0.28 4.81 -0.91 -0.10 114.58 118.36 3a3h h GLU 121 Ca -0.01 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 3a3h h GLU 121 Cb 0.16 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3a3h h GLU 121 CO 0.02 0.35 -0.07 0.52 -0.73 0.00 0.00 179.01 179.10 3a3h h MET 122 N 0.46 1.06 0.00 1.92 2.86 -1.09 -1.17 114.93 118.97 3a3h h MET 122 Ca 0.13 -0.37 -0.12 0.00 -2.06 0.00 0.00 59.70 57.27 3a3h h MET 122 Cb -0.01 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3a3h h MET 122 CO -0.02 1.07 -0.58 0.66 1.06 0.00 0.00 176.91 179.09 3a3h h SER 123 N 0.95 0.00 -0.37 1.22 4.64 -1.01 -0.60 113.55 118.39 3a3h h SER 123 Ca 0.15 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.34 3a3h h SER 123 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3a3h h SER 123 CO 0.04 0.58 -0.29 -0.08 -0.87 0.00 0.00 176.83 176.22 3a3h h GLU 124 N 0.00 0.85 -0.13 4.77 4.81 -0.71 0.11 114.58 124.29 3a3h h GLU 124 Ca -0.01 -0.42 -0.07 0.00 -0.13 0.00 0.00 59.36 58.74 3a3h h GLU 124 Cb 1.16 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 3a3h h GLU 124 CO 0.08 1.06 -0.19 -0.07 -0.73 0.00 0.00 179.01 179.16 3a3h h LEU 125 N 0.65 0.38 -2.34 1.64 3.38 -1.02 -3.38 115.31 114.62 3a3h h LEU 125 Ca 0.07 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3a3h h LEU 125 Cb 0.87 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3a3h h LEU 125 CO 0.08 0.83 0.00 -1.22 0.09 0.00 0.00 178.44 178.22 3a3h n TYR 126 N -4.52 0.13 0.28 1.13 4.01 -0.25 -4.71 117.16 113.22 3a3h n TYR 126 Ca -0.07 -0.33 0.13 0.00 -0.16 0.00 0.00 57.90 57.47 3a3h n TYR 126 Cb 0.40 -0.03 0.60 0.00 -0.31 0.00 0.00 39.34 40.00 3a3h n TYR 126 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3a3h h GLY 127 N 0.91 0.00 -3.29 2.72 0.00 -1.12 -2.05 103.07 100.25 3a3h h GLY 127 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.93 3a3h h GLY 127 CO 0.00 0.00 0.38 1.34 0.00 0.00 0.00 176.54 178.26 3a3h n ASP 128 N -2.35 3.29 -4.37 0.19 2.03 -1.26 -4.75 116.55 109.33 3a3h n ASP 128 Ca 0.00 -3.68 -0.30 0.00 0.52 0.00 0.00 54.79 51.32 3a3h n ASP 128 Cb 0.13 -0.77 -0.14 0.00 -0.72 0.00 0.00 41.12 39.62 3a3h n ASP 128 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3a3h s TYR 129 N -3.29 2.38 -1.22 -0.67 2.02 -0.77 -5.03 117.35 110.77 3a3h s TYR 129 Ca 0.53 -0.38 0.28 0.00 -0.37 0.00 0.00 57.07 57.13 3a3h s TYR 129 Cb 0.45 -1.43 1.15 0.00 -0.40 0.00 0.00 41.96 41.74 3a3h s TYR 129 CO 0.07 0.13 1.84 -0.35 -1.57 0.00 0.00 175.55 175.67 3a3h n PRO 130 N 1.83 0.23 0.19 -1.71 -0.04 -1.26 -3.90 135.00 130.34 3a3h n PRO 130 Ca -0.17 -0.05 0.06 0.00 -0.04 0.00 0.00 63.50 63.30 3a3h n PRO 130 Cb 0.52 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.82 3a3h n PRO 130 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3a3h h ASN 131 N 0.13 0.00 -3.57 3.54 4.21 -1.89 -3.43 115.58 114.57 3a3h h ASN 131 Ca 0.00 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.99 3a3h h ASN 131 Cb 0.43 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 3a3h h ASN 131 CO 0.00 0.36 0.31 -0.69 -1.29 0.00 0.00 177.43 176.12 3a3h s VAL 132 N -3.59 4.45 -0.09 2.81 1.01 -1.25 -0.79 120.40 122.94 3a3h s VAL 132 Ca 0.00 1.98 0.02 0.00 0.00 0.00 0.00 61.98 63.97 3a3h s VAL 132 Cb 0.11 -4.28 0.02 0.00 0.00 0.00 0.00 36.38 32.23 3a3h s VAL 132 CO 0.68 0.37 -0.13 -0.63 0.00 0.00 0.00 175.10 175.40 3a3h s ILE 133 N -0.30 1.28 -0.20 2.22 1.01 -0.22 -4.20 121.20 120.80 3a3h s ILE 133 Ca 0.44 -0.52 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 3a3h s ILE 133 Cb -0.23 -1.19 -0.05 0.00 0.01 0.00 0.00 42.46 41.00 3a3h s ILE 133 CO 0.29 0.40 0.22 -0.31 0.00 0.00 0.00 174.94 175.53 3a3h s TYR 134 N 0.99 3.40 -0.39 3.97 2.02 -0.19 -1.12 117.35 126.03 3a3h s TYR 134 Ca -0.08 0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 57.03 3a3h s TYR 134 Cb -0.15 -2.28 0.11 0.00 -0.40 0.00 0.00 41.96 39.23 3a3h s TYR 134 CO -0.01 0.18 0.16 -2.00 -1.57 0.00 0.00 175.55 172.31 3a3h s GLU 135 N 0.67 1.86 0.00 -0.62 2.12 0.74 0.02 118.70 123.49 3a3h s GLU 135 Ca 0.12 -1.83 0.29 0.00 0.36 0.00 0.00 54.97 53.91 3a3h s GLU 135 Cb -0.13 -3.47 1.18 0.00 0.26 0.00 0.00 34.13 31.98 3a3h s GLU 135 CO 0.02 -1.03 1.89 0.44 -0.54 0.00 0.00 175.26 176.05 3a3h n ILE 136 N 4.49 0.00 -3.05 -3.70 -5.35 -0.94 -1.23 119.36 109.58 3a3h n ILE 136 Ca -0.01 -0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.48 3a3h n ILE 136 Cb 0.42 -0.43 -0.00 0.00 -1.74 0.00 0.00 39.64 37.88 3a3h n ILE 136 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3a3h s ALA 137 N -2.98 -2.98 0.00 -1.28 0.00 -1.25 -4.72 121.76 108.55 3a3h s ALA 137 Ca 0.14 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.59 3a3h s ALA 137 Cb 0.19 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.49 3a3h s ALA 137 CO 0.54 -2.30 0.73 -1.71 0.00 0.00 0.00 175.76 173.02 3a3h n ASN 138 N 4.10 0.00 -3.45 0.00 5.15 -0.56 -3.23 115.26 117.29 3a3h n ASN 138 Ca 0.10 0.73 -0.28 0.00 -0.60 0.00 0.00 54.58 54.54 3a3h n ASN 138 Cb 0.59 -0.32 -0.11 0.00 -0.53 0.00 0.00 39.78 39.41 3a3h n ASN 138 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3a3h s GLU 139 N -2.56 0.89 0.33 1.20 2.02 -1.19 -4.65 118.70 114.73 3a3h s GLU 139 Ca 0.00 -1.94 -0.28 0.00 0.02 0.00 0.00 54.97 52.77 3a3h s GLU 139 Cb 0.00 -1.50 -0.13 0.00 0.10 0.00 0.00 34.13 32.60 3a3h s GLU 139 CO 0.00 -1.33 1.19 -2.30 0.02 0.00 0.00 175.26 172.84 3a3h n PRO 140 N 3.17 1.84 -3.75 0.39 -0.02 -1.26 -4.53 135.00 130.84 3a3h n PRO 140 Ca 0.24 0.65 -0.09 0.00 -2.02 0.00 0.00 63.50 62.27 3a3h n PRO 140 Cb 0.44 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 3a3h n PRO 140 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3a3h s ASN 141 N -0.42 -0.27 0.00 2.55 2.20 -0.53 -0.74 114.94 117.73 3a3h s ASN 141 Ca 0.57 -0.50 0.00 0.00 -0.94 0.00 0.00 52.86 51.99 3a3h s ASN 141 Cb -0.61 0.60 0.00 0.00 -2.00 0.00 0.00 41.25 39.25 3a3h s ASN 141 CO 0.61 -1.10 0.00 0.61 -2.94 0.00 0.00 177.10 174.28 3a3h n GLY 142 N -0.36 2.41 0.26 0.45 0.00 -1.26 -4.53 105.19 102.16 3a3h n GLY 142 Ca -0.09 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.34 3a3h n GLY 142 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3a3h h SER 143 N 0.00 0.00 -0.20 1.61 0.02 -2.01 -2.45 113.55 110.52 3a3h h SER 143 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3a3h h SER 143 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3a3h h SER 143 CO 0.00 0.06 0.00 -0.90 -1.14 0.00 0.00 176.83 174.85 3a3h n ASP 144 N -4.22 1.56 -4.09 3.07 5.75 -1.26 -4.69 116.55 112.67 3a3h n ASP 144 Ca -0.03 -1.78 -0.34 0.00 -0.01 0.00 0.00 54.79 52.64 3a3h n ASP 144 Cb 0.14 -0.13 -0.13 0.00 -1.03 0.00 0.00 41.12 39.97 3a3h n ASP 144 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3a3h s VAL 145 N -1.74 2.84 0.31 2.12 1.01 -0.92 -4.94 120.40 119.08 3a3h s VAL 145 Ca 0.29 -2.04 0.09 0.00 0.00 0.00 0.00 61.98 60.32 3a3h s VAL 145 Cb 0.15 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 3a3h s VAL 145 CO 0.22 -0.54 0.05 0.42 0.00 0.00 0.00 175.10 175.26 3a3h s THR 146 N 1.07 3.04 0.08 3.92 -4.23 -1.26 -4.68 115.64 113.59 3a3h s THR 146 Ca 0.06 -1.85 -0.31 0.00 -1.18 0.00 0.00 61.69 58.41 3a3h s THR 146 Cb -0.21 -2.87 -0.16 0.00 1.34 0.00 0.00 72.50 70.60 3a3h s THR 146 CO -0.05 -0.25 1.64 -0.25 -0.54 0.00 0.00 174.62 175.16 3a3h h TRP 147 N 1.74 -0.77 -0.30 3.99 2.91 -1.96 -0.49 115.95 121.07 3a3h h TRP 147 Ca -0.44 -0.01 -0.10 0.00 1.13 0.00 0.00 58.89 59.48 3a3h h TRP 147 Cb 1.25 0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 30.16 3a3h h TRP 147 CO 0.67 -0.45 -0.24 0.78 -1.03 0.00 0.00 178.44 178.17 3a3h h GLY 148 N -0.73 0.63 0.75 2.65 0.00 -1.96 0.23 103.07 104.63 3a3h h GLY 148 Ca -0.05 -0.52 -0.32 0.00 0.00 0.00 0.00 47.33 46.44 3a3h h GLY 148 CO 0.05 0.47 -1.88 0.70 0.00 0.00 0.00 176.54 175.89 3a3h n ASN 149 N -4.12 0.97 0.00 0.19 3.02 -1.23 -4.56 115.26 109.54 3a3h n ASN 149 Ca -0.00 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 3a3h n ASN 149 Cb 0.41 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 3a3h n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a3h n GLN 150 N -3.08 0.00 -0.03 3.52 3.00 -0.43 -4.76 117.38 115.61 3a3h n GLN 150 Ca -0.23 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.61 3a3h n GLN 150 Cb 1.07 -0.60 -0.13 0.00 0.00 0.00 0.00 30.24 30.58 3a3h n GLN 150 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 3a3h h ILE 151 N 0.00 1.65 -0.13 5.09 2.04 -0.97 -2.62 117.51 122.57 3a3h h ILE 151 Ca 0.00 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.63 3a3h h ILE 151 Cb 0.97 3.13 -0.01 0.00 -0.74 0.00 0.00 36.82 40.18 3a3h h ILE 151 CO 0.00 0.60 0.07 0.50 0.00 0.00 0.00 178.15 179.32 3a3h h LYS 152 N -0.70 0.15 -0.77 2.37 3.64 -0.79 -0.42 116.57 120.06 3a3h h LYS 152 Ca -0.04 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3a3h h LYS 152 Cb 1.12 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 3a3h h LYS 152 CO 0.05 0.10 0.47 -1.35 -2.27 0.00 0.00 179.45 176.44 3a3h h PRO 153 N 0.16 1.03 -0.39 1.90 0.11 -1.78 -0.06 132.00 132.97 3a3h h PRO 153 Ca 0.05 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3a3h h PRO 153 Cb -0.01 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 3a3h h PRO 153 CO -0.02 0.72 0.25 -0.92 -0.21 0.00 0.00 178.00 177.81 3a3h h TYR 154 N 1.05 0.51 -0.34 0.65 3.20 -1.03 -2.03 116.97 118.98 3a3h h TYR 154 Ca 0.28 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 3a3h h TYR 154 Cb -0.05 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 3a3h h TYR 154 CO 0.00 0.34 0.06 0.00 -1.64 0.00 0.00 178.16 176.93 3a3h h ALA 155 N 1.12 1.49 0.00 1.82 0.00 -0.45 -1.17 119.26 122.07 3a3h h ALA 155 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a3h h ALA 155 Cb -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3a3h h ALA 155 CO -0.03 0.38 0.00 0.39 0.00 0.00 0.00 179.25 179.99 3a3h n GLU 156 N -4.34 0.18 -0.08 0.00 1.02 -0.10 -0.54 120.64 116.79 3a3h n GLU 156 Ca 0.02 0.09 -0.17 0.00 -0.02 0.00 0.00 57.16 57.08 3a3h n GLU 156 Cb 0.19 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.98 3a3h n GLU 156 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3a3h n GLU 157 N -1.38 0.69 0.06 3.49 1.02 -0.60 -4.53 120.64 119.39 3a3h n GLU 157 Ca 0.08 0.17 -0.16 0.00 -0.02 0.00 0.00 57.16 57.23 3a3h n GLU 157 Cb 0.22 -1.60 -0.14 0.00 -0.02 0.00 0.00 31.44 29.90 3a3h n GLU 157 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3a3h h VAL 158 N 0.02 1.15 -0.50 2.62 2.07 -0.93 -3.35 116.25 117.33 3a3h h VAL 158 Ca -0.51 -2.81 0.01 0.00 0.82 0.00 0.00 66.70 64.21 3a3h h VAL 158 Cb 2.00 2.74 -0.03 0.00 -1.52 0.00 0.00 31.29 34.49 3a3h h VAL 158 CO -0.01 0.81 0.33 0.40 0.02 0.00 0.00 177.57 179.12 3a3h h ILE 159 N 0.06 1.12 -0.87 4.57 2.04 -1.07 -2.02 117.51 121.34 3a3h h ILE 159 Ca -0.24 -0.23 0.09 0.00 1.00 0.00 0.00 64.86 65.49 3a3h h ILE 159 Cb 2.01 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 38.41 3a3h h ILE 159 CO 0.16 0.12 0.57 -0.65 0.00 0.00 0.00 178.15 178.34 3a3h h PRO 160 N 0.67 0.84 -0.02 2.37 0.11 -1.80 0.99 132.00 135.17 3a3h h PRO 160 Ca 0.19 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3a3h h PRO 160 Cb -0.06 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 30.85 3a3h h PRO 160 CO -0.05 0.56 0.01 0.82 -0.21 0.00 0.00 178.00 179.13 3a3h h ILE 161 N 0.87 1.06 -0.37 4.15 1.08 -1.51 -1.46 117.51 121.32 3a3h h ILE 161 Ca 0.40 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.70 3a3h h ILE 161 Cb 0.39 1.12 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 3a3h h ILE 161 CO -0.17 0.04 0.17 0.40 -0.69 0.00 0.00 178.15 177.90 3a3h h ILE 162 N -0.03 1.18 0.00 -0.67 2.04 -0.82 -2.96 117.51 116.24 3a3h h ILE 162 Ca 0.01 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.35 3a3h h ILE 162 Cb 0.06 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3a3h h ILE 162 CO -0.00 0.19 -0.02 0.03 0.00 0.00 0.00 178.15 178.35 3a3h h ARG 163 N 0.46 0.00 0.00 2.37 2.47 -0.65 0.22 114.38 119.24 3a3h h ARG 163 Ca 0.13 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.79 3a3h h ARG 163 Cb 0.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 3a3h h ARG 163 CO -0.01 0.02 -0.25 -0.97 0.56 0.00 0.00 179.97 179.32 3a3h h ASN 164 N 0.00 0.00 0.00 7.04 -1.24 -1.09 -3.28 115.58 117.01 3a3h h ASN 164 Ca -0.00 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.94 3a3h h ASN 164 Cb 0.26 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 3a3h h ASN 164 CO 0.00 0.25 -1.65 0.59 -1.29 0.00 0.00 177.43 175.33 3a3h n ASN 165 N -3.60 2.11 -3.40 1.15 3.02 -0.24 -4.93 115.26 109.37 3a3h n ASN 165 Ca -0.01 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.37 3a3h n ASN 165 Cb 0.39 1.33 -0.10 0.00 -0.61 0.00 0.00 39.78 40.79 3a3h n ASN 165 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3a3h s ASP 166 N -3.77 1.66 0.53 6.41 -1.08 0.61 -4.74 116.67 116.29 3a3h s ASP 166 Ca -0.05 -0.78 0.32 0.00 -0.52 0.00 0.00 52.55 51.52 3a3h s ASP 166 Cb 0.07 0.51 1.36 0.00 -1.46 0.00 0.00 42.92 43.40 3a3h s ASP 166 CO 0.51 -0.39 1.99 1.55 0.52 0.00 0.00 175.17 179.35 3a3h h PRO 167 N 8.23 0.00 0.00 4.34 0.13 -1.81 -3.33 132.00 139.57 3a3h h PRO 167 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3a3h h PRO 167 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3a3h h PRO 167 CO 0.33 0.06 -0.01 0.27 -0.23 0.00 0.00 178.00 178.42 3a3h n ASN 168 N -3.20 0.00 -4.73 1.44 2.04 -1.26 -4.97 115.26 104.58 3a3h n ASN 168 Ca 0.00 -1.02 -0.32 0.00 -0.44 0.00 0.00 54.58 52.81 3a3h n ASN 168 Cb 0.31 -0.00 0.11 0.00 -2.53 0.00 0.00 39.78 37.67 3a3h n ASN 168 CO 0.00 0.00 0.00 0.20 -0.44 0.00 0.00 177.26 177.02 3a3h s ASN 169 N -0.02 3.97 0.31 0.53 0.01 -1.26 -4.86 114.94 113.63 3a3h s ASN 169 Ca 0.00 2.05 -0.29 0.00 -0.71 0.00 0.00 52.86 53.91 3a3h s ASN 169 Cb 0.00 -2.55 -0.10 0.00 0.41 0.00 0.00 41.25 39.01 3a3h s ASN 169 CO 0.00 -2.40 1.29 -0.63 -1.51 0.00 0.00 177.10 173.85 3a3h s ILE 170 N -2.62 2.83 -0.15 0.60 -1.09 -1.26 -4.90 121.20 114.61 3a3h s ILE 170 Ca 0.66 0.82 0.01 0.00 -2.23 0.00 0.00 60.65 59.91 3a3h s ILE 170 Cb -0.21 -3.52 0.02 0.00 -1.58 0.00 0.00 42.46 37.16 3a3h s ILE 170 CO 0.53 0.19 -0.19 -0.63 -1.23 0.00 0.00 174.94 173.62 3a3h s ILE 171 N -1.00 1.87 -0.22 2.92 1.01 -0.81 -1.02 121.20 123.95 3a3h s ILE 171 Ca 0.49 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 60.18 3a3h s ILE 171 Cb -0.39 -1.70 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 3a3h s ILE 171 CO 0.50 0.51 0.23 -0.63 0.00 0.00 0.00 174.94 175.55 3a3h s ILE 172 N 1.16 5.32 -0.17 2.92 1.01 0.10 -1.19 121.20 130.35 3a3h s ILE 172 Ca 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.95 3a3h s ILE 172 Cb -0.14 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 3a3h s ILE 172 CO -0.08 0.33 -0.06 -0.69 0.00 0.00 0.00 174.94 174.44 3a3h s VAL 173 N 1.06 3.54 0.83 2.92 1.01 0.24 -2.22 120.40 127.78 3a3h s VAL 173 Ca 0.11 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.51 3a3h s VAL 173 Cb -0.14 -2.56 0.09 0.00 0.00 0.00 0.00 36.38 33.77 3a3h s VAL 173 CO 0.05 0.47 1.15 -0.83 0.00 0.00 0.00 175.10 175.94 3a3h s GLY 174 N 0.78 1.90 0.40 4.51 0.00 -1.20 -0.74 107.32 112.97 3a3h s GLY 174 Ca -0.02 0.62 0.06 0.00 0.00 0.00 0.00 44.72 45.37 3a3h s GLY 174 CO 0.02 1.02 0.02 -0.51 0.00 0.00 0.00 173.10 173.65 3a3h s THR 175 N -2.49 1.71 0.98 0.90 -4.23 -1.26 -4.78 115.64 106.47 3a3h s THR 175 Ca 0.68 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.07 3a3h s THR 175 Cb -0.24 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 70.91 3a3h s THR 175 CO 0.53 0.00 1.08 -0.83 -0.54 0.00 0.00 174.62 174.87 3a3h s GLY 176 N -3.67 1.60 -1.16 3.99 0.00 -1.26 -1.08 107.32 105.75 3a3h s GLY 176 Ca 0.33 -0.06 -0.08 0.00 0.00 0.00 0.00 44.72 44.91 3a3h s GLY 176 CO 0.16 0.50 0.83 2.41 0.00 0.00 0.00 173.10 177.00 3a3h n THR 177 N -4.23 -6.63 -3.62 0.90 -1.04 -1.22 -1.02 114.28 97.42 3a3h n THR 177 Ca 0.06 -0.93 -0.21 0.00 -2.04 0.00 0.00 64.05 60.93 3a3h n THR 177 Cb 0.55 -4.99 0.06 0.00 -1.82 0.00 0.00 70.33 64.13 3a3h n THR 177 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 3a3h n TRP 178 N -3.88 -2.15 -3.66 -1.42 8.01 0.08 -2.83 117.44 111.58 3a3h n TRP 178 Ca -0.16 0.90 -0.23 0.00 -1.31 0.00 0.00 57.50 56.70 3a3h n TRP 178 Cb 0.63 -4.66 0.06 0.00 -2.01 0.00 0.00 31.31 25.32 3a3h n TRP 178 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 3a3h n SER 179 N -3.05 -3.34 -0.01 -0.99 7.64 -0.24 -4.58 113.62 109.05 3a3h n SER 179 Ca -0.23 -0.70 0.01 0.00 1.01 0.00 0.00 58.87 58.96 3a3h n SER 179 Cb 0.65 -4.50 -0.04 0.00 -1.01 0.00 0.00 64.21 59.31 3a3h n SER 179 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a3h n GLN 180 N -4.49 1.13 -2.05 1.43 6.02 -0.33 -0.97 117.38 118.12 3a3h n GLN 180 Ca -0.15 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.38 3a3h n GLN 180 Cb 0.62 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.75 3a3h n GLN 180 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3a3h n ASP 181 N -1.84 4.71 0.13 1.08 2.03 -0.19 -4.62 116.55 117.86 3a3h n ASP 181 Ca -0.03 -2.99 0.13 0.00 0.52 0.00 0.00 54.79 52.42 3a3h n ASP 181 Cb 0.30 -1.55 0.39 0.00 -0.72 0.00 0.00 41.12 39.54 3a3h n ASP 181 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3a3h h VAL 182 N 3.80 0.00 -0.31 5.18 -1.51 -1.87 -3.25 116.25 118.29 3a3h h VAL 182 Ca 0.49 -0.52 -0.06 0.00 -1.23 0.00 0.00 66.70 65.38 3a3h h VAL 182 Cb 0.62 1.49 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 3a3h h VAL 182 CO 1.74 0.00 -0.02 -0.74 -1.23 0.00 0.00 177.57 177.32 3a3h h HIS 183 N 0.00 0.63 -0.39 5.19 -0.00 -1.83 0.52 115.15 119.27 3a3h h HIS 183 Ca 0.00 -0.12 -0.14 0.00 -0.00 0.00 0.00 60.37 60.11 3a3h h HIS 183 Cb 0.73 -0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 27.97 3a3h h HIS 183 CO 0.00 0.72 -0.32 0.45 -0.00 0.00 0.00 177.93 178.78 3a3h h HIS 184 N 0.36 1.02 -0.63 5.26 3.86 -1.96 -2.24 115.15 120.82 3a3h h HIS 184 Ca 0.09 -0.28 -0.08 0.00 -1.16 0.00 0.00 60.37 58.94 3a3h h HIS 184 Cb 0.48 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.70 3a3h h HIS 184 CO 0.04 1.07 0.07 0.00 0.86 0.00 0.00 177.93 179.97 3a3h h ALA 185 N 0.90 0.93 0.00 2.45 0.00 -1.55 -2.81 119.26 119.17 3a3h h ALA 185 Ca 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3a3h h ALA 185 Cb 0.88 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3a3h h ALA 185 CO 0.08 0.66 -0.18 0.00 0.00 0.00 0.00 179.25 179.81 3a3h h ALA 186 N 1.08 1.14 -0.01 0.00 0.00 -0.62 -1.40 119.26 119.45 3a3h h ALA 186 Ca 0.19 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3a3h h ALA 186 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3a3h h ALA 186 CO 0.02 0.22 -0.05 -0.25 0.00 0.00 0.00 179.25 179.19 3a3h n ASP 187 N -3.50 1.25 -2.95 0.00 8.00 -0.87 -4.33 116.55 114.16 3a3h n ASP 187 Ca -0.01 -1.31 -0.14 0.00 0.71 0.00 0.00 54.79 54.04 3a3h n ASP 187 Cb 0.34 0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.48 3a3h n ASP 187 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3a3h n ASN 188 N -0.11 -0.96 -4.78 -2.24 5.15 -0.56 -5.10 115.26 106.66 3a3h n ASN 188 Ca 0.18 -3.30 -0.34 0.00 -0.60 0.00 0.00 54.58 50.53 3a3h n ASN 188 Cb 0.33 0.70 0.03 0.00 -0.53 0.00 0.00 39.78 40.31 3a3h n ASN 188 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3a3h s GLN 189 N -0.84 3.07 0.71 1.20 -0.21 -1.02 -4.86 119.66 117.71 3a3h s GLN 189 Ca 0.31 1.43 -0.12 0.00 0.02 0.00 0.00 55.36 57.00 3a3h s GLN 189 Cb 0.29 -1.98 0.03 0.00 1.00 0.00 0.00 33.01 32.35 3a3h s GLN 189 CO -0.09 -1.04 1.09 -0.51 -2.12 0.00 0.00 175.29 172.62 3a3h s LEU 190 N -4.44 3.19 0.15 2.90 1.43 -1.26 -4.99 118.68 115.66 3a3h s LEU 190 Ca 0.68 1.85 -0.01 0.00 -1.03 0.00 0.00 54.13 55.62 3a3h s LEU 190 Cb -0.21 -4.53 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 3a3h s LEU 190 CO 0.36 -1.76 1.34 0.00 0.23 0.00 0.00 176.35 176.52 3a3h h ALA 191 N -0.60 0.45 -2.44 4.21 0.00 -2.02 -3.46 119.26 115.41 3a3h h ALA 191 Ca -0.45 -0.71 -0.56 0.00 0.00 0.00 0.00 54.91 53.19 3a3h h ALA 191 Cb 1.23 -0.05 0.07 0.00 0.00 0.00 0.00 17.79 19.04 3a3h h ALA 191 CO 0.53 0.86 0.82 -3.47 0.00 0.00 0.00 179.25 177.99 3a3h n ASP 192 N -3.71 3.32 0.06 0.00 -0.08 -1.26 -4.87 116.55 110.01 3a3h n ASP 192 Ca -0.05 1.10 0.12 0.00 -1.51 0.00 0.00 54.79 54.45 3a3h n ASP 192 Cb 0.82 -1.48 0.46 0.00 2.34 0.00 0.00 41.12 43.25 3a3h n ASP 192 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3a3h n PRO 193 N 3.05 0.12 -2.05 -0.67 -0.04 -1.26 -3.39 135.00 130.76 3a3h n PRO 193 Ca 0.14 0.22 -0.26 0.00 -0.04 0.00 0.00 63.50 63.56 3a3h n PRO 193 Cb 0.32 -1.67 0.02 0.00 -0.04 0.00 0.00 33.50 32.13 3a3h n PRO 193 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3a3h n ASN 194 N -1.88 5.15 -4.72 3.54 3.02 -1.26 -4.37 115.26 114.74 3a3h n ASN 194 Ca 0.05 -3.75 -0.32 0.00 -0.03 0.00 0.00 54.58 50.53 3a3h n ASN 194 Cb 0.30 -0.42 -0.08 0.00 -0.61 0.00 0.00 39.78 38.97 3a3h n ASN 194 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3a3h s VAL 195 N -4.79 4.31 0.12 2.41 1.01 -1.22 -1.92 120.40 120.31 3a3h s VAL 195 Ca 0.52 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 61.91 3a3h s VAL 195 Cb 0.42 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3a3h s VAL 195 CO -0.01 0.29 -0.16 -0.04 0.00 0.00 0.00 175.10 175.18 3a3h s MET 196 N -1.84 1.05 -0.13 2.72 -1.94 -0.33 -4.53 119.30 114.30 3a3h s MET 196 Ca 0.23 -1.20 -0.05 0.00 -1.71 0.00 0.00 55.69 52.96 3a3h s MET 196 Cb -0.12 -1.06 -0.04 0.00 2.01 0.00 0.00 34.83 35.63 3a3h s MET 196 CO 0.14 0.22 0.06 0.71 -0.01 0.00 0.00 175.02 176.14 3a3h s TYR 197 N -1.76 3.31 0.32 -0.03 2.02 0.09 -0.59 117.35 120.71 3a3h s TYR 197 Ca 0.07 0.24 -0.27 0.00 -0.37 0.00 0.00 57.07 56.74 3a3h s TYR 197 Cb -0.07 -1.93 -0.09 0.00 -0.40 0.00 0.00 41.96 39.47 3a3h s TYR 197 CO 0.04 0.43 1.05 0.00 -1.57 0.00 0.00 175.55 175.49 3a3h s ALA 198 N -0.48 3.26 -0.06 3.71 0.00 0.08 -1.46 121.76 126.81 3a3h s ALA 198 Ca 0.10 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3a3h s ALA 198 Cb -0.12 -3.28 0.02 0.00 0.00 0.00 0.00 23.12 19.75 3a3h s ALA 198 CO 0.02 -0.10 -0.03 0.12 0.00 0.00 0.00 175.76 175.76 3a3h s PHE 199 N -1.38 0.79 -0.02 0.00 5.36 -0.85 -4.25 117.98 117.62 3a3h s PHE 199 Ca 0.49 -0.24 0.06 0.00 -0.96 0.00 0.00 56.93 56.29 3a3h s PHE 199 Cb -0.26 -0.75 -0.01 0.00 -0.34 0.00 0.00 43.02 41.65 3a3h s PHE 199 CO 0.33 -0.26 -0.21 -1.01 -1.46 0.00 0.00 175.22 172.62 3a3h s HIS 200 N 1.28 1.92 0.11 10.12 3.76 -0.15 -3.69 115.29 128.65 3a3h s HIS 200 Ca -0.05 -0.40 -0.00 0.00 -0.15 0.00 0.00 55.06 54.46 3a3h s HIS 200 Cb -0.14 -1.24 -0.04 0.00 1.11 0.00 0.00 32.58 32.27 3a3h s HIS 200 CO -0.02 -0.06 0.01 -0.59 -0.85 0.00 0.00 174.74 173.23 3a3h s PHE 201 N -0.42 0.84 -0.06 1.40 -0.12 -1.20 -4.69 117.98 113.72 3a3h s PHE 201 Ca 0.06 -1.12 0.02 0.00 -0.05 0.00 0.00 56.93 55.84 3a3h s PHE 201 Cb -0.09 -0.50 0.02 0.00 -0.63 0.00 0.00 43.02 41.82 3a3h s PHE 201 CO -0.00 -0.39 -0.11 0.71 -0.05 0.00 0.00 175.22 175.38 3a3h s TYR 202 N -3.90 1.33 -0.23 3.49 2.02 -1.26 -1.56 117.35 117.23 3a3h s TYR 202 Ca 0.18 -0.48 0.26 0.00 -0.37 0.00 0.00 57.07 56.65 3a3h s TYR 202 Cb 0.07 -1.00 1.21 0.00 -0.40 0.00 0.00 41.96 41.84 3a3h s TYR 202 CO -0.02 -0.27 1.77 0.00 -1.57 0.00 0.00 175.55 175.47 3a3h h ALA 203 N 7.05 1.00 0.00 3.71 0.00 -0.73 -1.55 119.26 128.74 3a3h h ALA 203 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3a3h h ALA 203 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a3h h ALA 203 CO 0.47 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.50 3a3h h GLY 204 N 1.21 0.00 -5.70 0.00 0.00 -1.15 -3.43 103.07 94.00 3a3h h GLY 204 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 3a3h h GLY 204 CO 0.00 0.00 -0.28 -1.59 0.00 0.00 0.00 176.54 174.67 3a3h s THR 205 N -3.56 5.26 0.01 4.70 2.01 -0.59 -4.92 115.64 118.56 3a3h s THR 205 Ca 0.01 0.64 -0.30 0.00 0.31 0.00 0.00 61.69 62.35 3a3h s THR 205 Cb 0.09 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 68.86 3a3h s THR 205 CO 0.42 0.42 1.78 -1.00 -0.69 0.00 0.00 174.62 175.54 3a3h s HIS 206 N 0.21 1.82 -0.84 4.92 3.76 -1.26 -4.89 115.29 119.00 3a3h s HIS 206 Ca 0.19 -0.04 0.16 0.00 -0.15 0.00 0.00 55.06 55.23 3a3h s HIS 206 Cb -0.14 -4.06 0.59 0.00 1.11 0.00 0.00 32.58 30.08 3a3h s HIS 206 CO 0.06 -4.54 1.50 0.41 -0.85 0.00 0.00 174.74 171.32 3a3h n GLY 207 N 4.26 3.07 0.31 -2.22 0.00 -1.26 -4.70 105.19 104.65 3a3h n GLY 207 Ca 0.18 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.34 3a3h n GLY 207 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3a3h h GLN 208 N 3.09 1.09 -0.08 1.61 4.15 -2.00 -1.06 115.11 121.91 3a3h h GLN 208 Ca 0.00 -0.20 -0.19 0.00 0.77 0.00 0.00 58.65 59.03 3a3h h GLN 208 Cb 1.30 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.82 3a3h h GLN 208 CO 0.18 0.90 -0.74 -0.97 -1.93 0.00 0.00 178.83 176.28 3a3h h ASN 209 N 1.04 0.50 -0.62 -0.69 -0.00 -2.00 -2.49 115.58 111.32 3a3h h ASN 209 Ca 0.24 -0.33 -0.04 0.00 -0.00 0.00 0.00 56.30 56.17 3a3h h ASN 209 Cb 0.22 -0.15 -0.03 0.00 -0.00 0.00 0.00 38.32 38.36 3a3h h ASN 209 CO -0.02 1.07 0.26 -0.07 -0.00 0.00 0.00 177.43 178.67 3a3h h LEU 210 N 0.29 0.88 -0.65 0.34 3.38 -1.79 0.62 115.31 118.38 3a3h h LEU 210 Ca -0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3a3h h LEU 210 Cb 1.31 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 3a3h h LEU 210 CO 0.13 0.79 0.35 0.03 0.09 0.00 0.00 178.44 179.83 3a3h h ARG 211 N 0.94 0.90 -0.14 1.13 3.08 -1.08 -1.20 114.38 118.01 3a3h h ARG 211 Ca 0.22 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 3a3h h ARG 211 Cb 0.19 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 3a3h h ARG 211 CO -0.02 0.69 -0.15 -0.44 -1.07 0.00 0.00 179.97 178.98 3a3h h ASP 212 N 0.88 0.22 0.07 7.04 3.32 -0.91 -1.17 116.42 125.87 3a3h h ASP 212 Ca 0.23 -0.05 -0.17 0.00 0.02 0.00 0.00 57.03 57.06 3a3h h ASP 212 Cb 0.05 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3a3h h ASP 212 CO -0.04 0.39 -0.59 1.56 -1.72 0.00 0.00 179.24 178.85 3a3h h GLN 213 N 0.22 0.52 -0.43 3.56 1.08 -0.44 0.08 115.11 119.70 3a3h h GLN 213 Ca 0.04 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 56.88 3a3h h GLN 213 Cb 0.40 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 3a3h h GLN 213 CO 0.02 0.96 0.22 0.28 -0.95 0.00 0.00 178.83 179.37 3a3h h VAL 214 N 0.39 1.17 -0.94 -0.54 2.07 -0.71 -1.71 116.25 115.98 3a3h h VAL 214 Ca -0.00 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.07 3a3h h VAL 214 Cb 1.14 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 3a3h h VAL 214 CO 0.11 0.18 0.62 0.44 0.02 0.00 0.00 177.57 178.95 3a3h h ASP 215 N 0.56 1.07 -0.31 0.57 3.32 -0.91 -0.23 116.42 120.49 3a3h h ASP 215 Ca 0.15 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.22 3a3h h ASP 215 Cb 0.09 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 3a3h h ASP 215 CO -0.02 0.76 0.07 0.22 -1.72 0.00 0.00 179.24 178.55 3a3h h TYR 216 N 1.26 0.12 -0.51 4.55 3.20 -0.57 -0.31 116.97 124.71 3a3h h TYR 216 Ca 0.35 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.22 3a3h h TYR 216 Cb -0.11 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 3a3h h TYR 216 CO -0.01 0.03 0.23 0.00 -1.64 0.00 0.00 178.16 176.77 3a3h h ALA 217 N 1.22 0.65 -0.93 1.82 0.00 -0.63 -2.26 119.26 119.14 3a3h h ALA 217 Ca 0.14 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3a3h h ALA 217 Cb 0.15 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3a3h h ALA 217 CO -0.18 0.23 0.61 -0.07 0.00 0.00 0.00 179.25 179.84 3a3h h LEU 218 N 0.67 0.98 -1.37 0.00 3.38 -0.81 -1.48 115.31 116.68 3a3h h LEU 218 Ca 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3a3h h LEU 218 Cb 0.15 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3a3h h LEU 218 CO -0.02 0.65 0.00 0.44 0.09 0.00 0.00 178.44 179.60 3a3h h ASP 219 N 1.12 0.00 -0.21 -0.43 3.32 -0.47 -0.41 116.42 119.34 3a3h h ASP 219 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3a3h h ASP 219 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3a3h h ASP 219 CO -0.13 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.39 3a3h n GLN 220 N -2.49 1.90 -0.87 3.56 1.13 -0.58 -4.92 117.38 115.11 3a3h n GLN 220 Ca 0.00 -1.35 0.00 0.00 -1.94 0.00 0.00 57.00 53.71 3a3h n GLN 220 Cb 0.16 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.09 3a3h n GLN 220 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a3h n GLY 221 N 1.21 0.57 3.75 1.08 0.00 -0.16 -5.02 105.19 106.61 3a3h n GLY 221 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3a3h n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3h s ALA 222 N -2.01 3.35 0.05 4.61 0.00 -1.08 -4.04 121.76 122.63 3a3h s ALA 222 Ca 0.00 0.58 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 3a3h s ALA 222 Cb 0.00 -3.18 -0.06 0.00 0.00 0.00 0.00 23.12 19.88 3a3h s ALA 222 CO 0.00 0.20 0.49 0.00 0.00 0.00 0.00 175.76 176.45 3a3h s ALA 223 N -1.06 3.64 -0.06 0.00 0.00 -1.26 -4.18 121.76 118.85 3a3h s ALA 223 Ca 0.41 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.31 3a3h s ALA 223 Cb -0.25 -2.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.36 3a3h s ALA 223 CO 0.31 0.45 -0.21 0.42 0.00 0.00 0.00 175.76 176.73 3a3h s ILE 224 N -1.14 1.72 -0.13 0.00 -1.09 -1.26 -0.73 121.20 118.57 3a3h s ILE 224 Ca 0.28 -0.87 0.03 0.00 -2.23 0.00 0.00 60.65 57.85 3a3h s ILE 224 Cb -0.18 -1.48 0.01 0.00 -1.58 0.00 0.00 42.46 39.23 3a3h s ILE 224 CO 0.17 0.49 -0.22 0.12 -1.23 0.00 0.00 174.94 174.26 3a3h s PHE 225 N 0.05 2.66 -1.23 3.97 2.19 -0.54 -4.50 117.98 120.58 3a3h s PHE 225 Ca -0.07 -1.24 -0.14 0.00 0.33 0.00 0.00 56.93 55.82 3a3h s PHE 225 Cb -0.14 -1.80 0.16 0.00 -1.31 0.00 0.00 43.02 39.94 3a3h s PHE 225 CO 0.04 -0.55 1.49 0.28 1.83 0.00 0.00 175.22 178.31 3a3h n VAL 226 N 3.93 4.22 0.81 3.12 0.31 -0.15 -2.01 118.33 128.56 3a3h n VAL 226 Ca -0.20 -4.65 0.10 0.00 -0.01 0.00 0.00 64.34 59.59 3a3h n VAL 226 Cb 0.52 -2.45 0.47 0.00 -0.91 0.00 0.00 33.84 31.47 3a3h n VAL 226 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3a3h n SER 227 N 5.84 0.00 -3.66 4.52 3.41 -1.24 -1.78 113.62 120.72 3a3h n SER 227 Ca 0.38 0.32 -0.08 0.00 -0.26 0.00 0.00 58.87 59.23 3a3h n SER 227 Cb 0.43 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.87 3a3h n SER 227 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3a3h s GLU 228 N -2.85 0.61 0.04 4.33 2.12 -1.23 -4.30 118.70 117.43 3a3h s GLU 228 Ca 0.13 1.11 -0.17 0.00 0.36 0.00 0.00 54.97 56.40 3a3h s GLU 228 Cb 0.14 0.11 0.03 0.00 0.26 0.00 0.00 34.13 34.67 3a3h s GLU 228 CO 0.35 -0.15 0.39 1.67 -0.54 0.00 0.00 175.26 176.98 3a3h s TRP 229 N 1.62 -0.23 0.15 5.30 1.48 -1.00 -3.27 118.94 122.97 3a3h s TRP 229 Ca -0.10 0.20 0.03 0.00 -1.06 0.00 0.00 56.10 55.17 3a3h s TRP 229 Cb -0.06 0.19 -0.05 0.00 -1.16 0.00 0.00 33.47 32.39 3a3h s TRP 229 CO -0.18 -0.54 -0.05 0.20 -4.06 0.00 0.00 176.95 172.32 3a3h s GLY 230 N -1.94 1.09 0.00 3.67 0.00 -0.60 -0.75 107.32 108.79 3a3h s GLY 230 Ca -0.06 -1.51 0.28 0.00 0.00 0.00 0.00 44.72 43.43 3a3h s GLY 230 CO -0.02 -1.55 1.82 -1.30 0.00 0.00 0.00 173.10 172.05 3a3h n THR 231 N -0.19 0.00 -2.06 0.90 -2.24 -1.26 -1.11 114.28 108.31 3a3h n THR 231 Ca -0.09 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3a3h n THR 231 Cb 0.62 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3a3h n THR 231 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3a3h n SER 232 N -1.04 0.00 -4.59 3.42 3.41 -1.26 -0.55 113.62 113.01 3a3h n SER 232 Ca 0.13 -0.53 -0.28 0.00 -0.26 0.00 0.00 58.87 57.93 3a3h n SER 232 Cb 0.29 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.37 3a3h n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a3h s ALA 233 N -2.47 2.66 -0.58 7.33 0.00 -0.21 -0.77 121.76 127.72 3a3h s ALA 233 Ca 0.00 -1.00 0.16 0.00 0.00 0.00 0.00 51.96 51.12 3a3h s ALA 233 Cb 0.00 -2.75 0.76 0.00 0.00 0.00 0.00 23.12 21.13 3a3h s ALA 233 CO 0.00 -1.89 1.49 0.00 0.00 0.00 0.00 175.76 175.36 3a3h n ALA 234 N -3.38 1.28 1.08 0.00 0.00 -1.26 -0.58 120.51 117.65 3a3h n ALA 234 Ca 0.11 0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.77 3a3h n ALA 234 Cb 0.60 -1.25 0.44 0.00 0.00 0.00 0.00 19.45 19.25 3a3h n ALA 234 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3a3h n THR 235 N -1.96 0.00 -0.35 0.00 -2.24 -1.26 -4.90 114.28 103.57 3a3h n THR 235 Ca 0.01 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3a3h n THR 235 Cb 0.10 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3a3h n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a3h n GLY 236 N 1.45 0.69 0.00 3.38 0.00 0.25 -5.01 105.19 105.95 3a3h n GLY 236 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3a3h n GLY 236 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a3h n ASP 237 N 0.00 0.00 -1.13 1.61 2.03 -1.25 -2.00 116.55 115.81 3a3h n ASP 237 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 3a3h n ASP 237 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3a3h n ASP 237 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a3h n GLY 238 N 0.82 -0.02 0.00 0.27 0.00 -1.26 -1.05 105.19 103.95 3a3h n GLY 238 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3a3h n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a3h n GLY 239 N -1.02 2.12 3.56 -0.02 0.00 -1.26 -4.66 105.19 103.92 3a3h n GLY 239 Ca -0.11 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 3a3h n GLY 239 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a3h s VAL 240 N -2.72 3.99 -0.64 1.61 1.01 -1.26 -4.03 120.40 118.35 3a3h s VAL 240 Ca 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.69 3a3h s VAL 240 Cb 0.00 -2.71 0.21 0.00 0.00 0.00 0.00 36.38 33.88 3a3h s VAL 240 CO 0.00 0.54 0.61 0.49 0.00 0.00 0.00 175.10 176.74 3a3h n PHE 241 N 2.94 3.05 0.22 5.22 3.01 0.29 -4.95 117.46 127.24 3a3h n PHE 241 Ca -0.18 -4.15 0.10 0.00 1.01 0.00 0.00 57.45 54.23 3a3h n PHE 241 Cb 0.53 -0.54 0.48 0.00 -0.01 0.00 0.00 39.48 39.94 3a3h n PHE 241 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3a3h h LEU 242 N 4.74 0.00 -0.05 4.37 3.38 -1.94 -1.54 115.31 124.27 3a3h h LEU 242 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3a3h h LEU 242 Cb 0.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3a3h h LEU 242 CO 0.74 0.24 0.01 0.44 0.09 0.00 0.00 178.44 179.96 3a3h h ASP 243 N 0.00 0.07 0.03 -0.43 3.32 -1.96 -0.64 116.42 116.81 3a3h h ASP 243 Ca -0.00 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 56.69 3a3h h ASP 243 Cb 0.71 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3a3h h ASP 243 CO 0.03 0.29 -0.37 -0.08 -1.72 0.00 0.00 179.24 177.39 3a3h h GLU 244 N -0.16 0.45 -0.64 3.56 4.57 -1.83 -2.21 114.58 118.33 3a3h h GLU 244 Ca 0.01 -0.21 0.02 0.00 -1.18 0.00 0.00 59.36 58.00 3a3h h GLU 244 Cb 0.25 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 3a3h h GLU 244 CO 0.00 0.76 0.41 0.00 -1.18 0.00 0.00 179.01 179.00 3a3h h ALA 245 N 1.22 0.82 -0.64 2.92 0.00 -1.09 -1.67 119.26 120.81 3a3h h ALA 245 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3a3h h ALA 245 Cb 0.83 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3a3h h ALA 245 CO 0.07 0.20 0.30 0.37 0.00 0.00 0.00 179.25 180.18 3a3h h GLN 246 N 0.83 0.91 -0.55 0.00 5.75 -0.82 0.11 115.11 121.34 3a3h h GLN 246 Ca 0.24 -0.12 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 3a3h h GLN 246 Cb -0.05 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 3a3h h GLN 246 CO -0.07 0.71 0.36 0.28 -2.65 0.00 0.00 178.83 177.46 3a3h h VAL 247 N 0.91 1.13 -0.47 2.39 2.07 -0.79 -0.68 116.25 120.81 3a3h h VAL 247 Ca 0.22 -0.25 -0.12 0.00 0.82 0.00 0.00 66.70 67.37 3a3h h VAL 247 Cb 0.11 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3a3h h VAL 247 CO -0.03 0.13 -0.18 -0.50 0.02 0.00 0.00 177.57 177.02 3a3h h TRP 248 N 0.74 1.05 -0.47 1.57 4.06 -0.76 -1.12 115.95 121.02 3a3h h TRP 248 Ca 0.20 -0.24 0.04 0.00 2.06 0.00 0.00 58.89 60.96 3a3h h TRP 248 Cb -0.07 -0.25 -0.04 0.00 -1.00 0.00 0.00 29.16 27.79 3a3h h TRP 248 CO -0.04 1.03 0.22 0.82 -3.56 0.00 0.00 178.44 176.91 3a3h h ILE 249 N 0.82 0.94 -0.64 1.49 1.08 -0.32 0.11 117.51 120.98 3a3h h ILE 249 Ca 0.12 -0.15 -0.08 0.00 -0.39 0.00 0.00 64.86 64.35 3a3h h ILE 249 Cb 0.73 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 3a3h h ILE 249 CO 0.06 0.08 0.07 0.44 -0.69 0.00 0.00 178.15 178.11 3a3h h ASP 250 N 0.44 1.04 -0.35 1.72 3.32 -0.95 -1.32 116.42 120.32 3a3h h ASP 250 Ca 0.21 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.01 3a3h h ASP 250 Cb 0.13 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 3a3h h ASP 250 CO -0.16 1.06 0.16 0.15 -1.72 0.00 0.00 179.24 178.73 3a3h h PHE 251 N 0.99 0.30 -0.42 4.55 3.57 -0.80 -0.79 116.94 124.35 3a3h h PHE 251 Ca 0.19 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 3a3h h PHE 251 Cb 0.48 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 3a3h h PHE 251 CO 0.04 0.16 0.02 0.52 -2.23 0.00 0.00 178.31 176.81 3a3h h MET 252 N 0.34 0.66 -0.41 1.11 2.86 -0.74 -1.47 114.93 117.29 3a3h h MET 252 Ca 0.15 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 3a3h h MET 252 Cb 0.07 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3a3h h MET 252 CO -0.11 0.67 -0.24 -0.44 1.06 0.00 0.00 176.91 177.84 3a3h h ASP 253 N 0.63 0.92 -0.14 1.22 3.32 -0.72 0.10 116.42 121.75 3a3h h ASP 253 Ca 0.13 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.72 3a3h h ASP 253 Cb 0.37 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3a3h h ASP 253 CO 0.01 1.14 -0.03 -0.33 -1.72 0.00 0.00 179.24 178.31 3a3h h GLU 254 N 0.70 0.40 -0.38 3.56 5.08 -0.77 -2.48 114.58 120.69 3a3h h GLU 254 Ca 0.09 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a3h h GLU 254 Cb 0.81 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3a3h h GLU 254 CO 0.07 0.46 0.00 0.54 -1.00 0.00 0.00 179.01 179.07 3a3h n ARG 255 N -4.30 2.35 -3.80 2.33 3.00 -0.59 -4.96 116.66 110.70 3a3h n ARG 255 Ca 0.01 -2.05 -0.25 0.00 -0.01 0.00 0.00 57.85 55.55 3a3h n ARG 255 Cb 0.24 -1.49 0.03 0.00 0.00 0.00 0.00 32.46 31.23 3a3h n ARG 255 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3a3h n ASN 256 N 1.24 -2.30 -4.76 0.55 5.15 -0.31 -4.95 115.26 109.88 3a3h n ASN 256 Ca 0.19 -0.82 -0.37 0.00 -0.60 0.00 0.00 54.58 52.98 3a3h n ASN 256 Cb 0.54 -3.91 -0.07 0.00 -0.53 0.00 0.00 39.78 35.81 3a3h n ASN 256 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3a3h s LEU 257 N -6.91 4.29 0.48 1.20 1.43 0.21 -4.82 118.68 114.56 3a3h s LEU 257 Ca 0.22 0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 53.67 3a3h s LEU 257 Cb -0.11 -2.34 -0.09 0.00 0.03 0.00 0.00 46.19 43.68 3a3h s LEU 257 CO 0.83 0.17 0.98 -0.44 0.23 0.00 0.00 176.35 178.12 3a3h s SER 258 N 0.07 6.66 0.11 2.29 0.01 -1.26 -4.72 113.70 116.87 3a3h s SER 258 Ca 0.16 1.68 -0.17 0.00 1.31 0.00 0.00 55.95 58.93 3a3h s SER 258 Cb -0.13 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.61 3a3h s SER 258 CO 0.05 -0.56 0.43 -1.66 0.41 0.00 0.00 173.24 171.91 3a3h s TRP 259 N -2.35 -0.25 -0.05 2.43 1.48 0.17 -0.98 118.94 119.39 3a3h s TRP 259 Ca 0.62 0.00 0.01 0.00 -1.06 0.00 0.00 56.10 55.66 3a3h s TRP 259 Cb -0.11 0.28 0.02 0.00 -1.16 0.00 0.00 33.47 32.51 3a3h s TRP 259 CO 0.23 -0.69 -0.05 0.00 -4.06 0.00 0.00 176.95 172.37 3a3h s ALA 260 N -3.56 0.75 0.15 2.67 0.00 -0.73 -1.49 121.76 119.55 3a3h s ALA 260 Ca 0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 51.96 51.73 3a3h s ALA 260 Cb 0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 23.12 22.59 3a3h s ALA 260 CO -0.10 -0.05 0.54 1.21 0.00 0.00 0.00 175.76 177.36 3a3h s ASN 261 N 0.99 6.79 -0.26 0.00 3.84 -0.41 -2.39 114.94 123.51 3a3h s ASN 261 Ca -0.10 1.04 -0.09 0.00 0.21 0.00 0.00 52.86 53.93 3a3h s ASN 261 Cb -0.14 -2.27 -0.04 0.00 -0.55 0.00 0.00 41.25 38.25 3a3h s ASN 261 CO -0.00 0.09 0.11 0.86 -2.79 0.00 0.00 177.10 175.37 3a3h s TRP 262 N -1.50 3.13 0.24 0.43 -0.11 0.07 -0.44 118.94 120.76 3a3h s TRP 262 Ca 0.38 -0.25 -0.20 0.00 1.22 0.00 0.00 56.10 57.26 3a3h s TRP 262 Cb -0.14 -2.29 0.03 0.00 -1.50 0.00 0.00 33.47 29.57 3a3h s TRP 262 CO 0.19 -0.30 0.62 -1.54 -4.62 0.00 0.00 176.95 171.31 3a3h s SER 263 N 1.66 -0.29 -0.99 5.86 1.04 -1.02 -4.58 113.70 115.38 3a3h s SER 263 Ca 0.07 -0.52 -0.19 0.00 0.48 0.00 0.00 55.95 55.79 3a3h s SER 263 Cb -0.15 0.66 0.12 0.00 0.10 0.00 0.00 66.02 66.74 3a3h s SER 263 CO 0.06 -1.19 1.25 -0.22 0.98 0.00 0.00 173.24 174.12 3a3h s LEU 264 N -2.89 4.69 0.22 2.42 2.96 0.33 -1.13 118.68 125.28 3a3h s LEU 264 Ca 0.10 -2.05 -0.19 0.00 -0.22 0.00 0.00 54.13 51.78 3a3h s LEU 264 Cb -0.03 -2.44 0.03 0.00 0.50 0.00 0.00 46.19 44.24 3a3h s LEU 264 CO 0.02 -1.12 0.58 0.28 -1.32 0.00 0.00 176.35 174.79 3a3h s THR 265 N 3.08 0.01 -1.95 3.68 -1.32 -1.26 -4.04 115.64 113.84 3a3h s THR 265 Ca 0.37 -0.82 0.20 0.00 -1.21 0.00 0.00 61.69 60.24 3a3h s THR 265 Cb -0.03 -1.70 0.49 0.00 -1.51 0.00 0.00 72.50 69.75 3a3h s THR 265 CO -0.08 -0.06 1.41 0.00 -2.21 0.00 0.00 174.62 173.69 3a3h n HIS 266 N -0.38 0.69 -1.53 9.09 1.44 -1.26 -1.54 115.22 121.72 3a3h n HIS 266 Ca -0.08 -0.39 -0.42 0.00 -2.01 0.00 0.00 57.72 54.82 3a3h n HIS 266 Cb 0.62 -0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.73 3a3h n HIS 266 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 3a3h n LYS 267 N 1.37 0.90 -2.24 -1.40 4.81 -1.26 -4.00 118.16 116.35 3a3h n LYS 267 Ca 0.20 0.33 -0.43 0.00 -0.87 0.00 0.00 58.31 57.54 3a3h n LYS 267 Cb 0.57 -1.75 0.00 0.00 0.02 0.00 0.00 35.03 33.87 3a3h n LYS 267 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3a3h n ASP 268 N 0.89 4.56 -3.83 3.14 2.03 -1.26 -4.65 116.55 117.43 3a3h n ASP 268 Ca 0.11 -2.93 -0.12 0.00 0.52 0.00 0.00 54.79 52.37 3a3h n ASP 268 Cb 0.39 -1.65 -0.10 0.00 -0.72 0.00 0.00 41.12 39.04 3a3h n ASP 268 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 3a3h s GLU 269 N 2.87 0.45 0.41 -0.67 -1.05 -1.26 -5.07 118.70 114.39 3a3h s GLU 269 Ca 0.48 -0.18 0.14 0.00 -0.15 0.00 0.00 54.97 55.25 3a3h s GLU 269 Cb 0.08 0.20 1.00 0.00 -0.44 0.00 0.00 34.13 34.97 3a3h s GLU 269 CO -0.01 -0.10 1.92 0.77 0.95 0.00 0.00 175.26 178.78 3a3h h SER 270 N 4.61 0.44 1.17 0.83 0.02 -1.85 -0.99 113.55 117.77 3a3h h SER 270 Ca -0.29 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3a3h h SER 270 Cb 1.19 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3a3h h SER 270 CO 0.40 0.23 0.00 -1.54 -1.14 0.00 0.00 176.83 174.78 3a3h n SER 271 N -4.49 0.63 -4.77 3.07 3.41 -0.85 -4.46 113.62 106.16 3a3h n SER 271 Ca 0.14 0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 58.93 3a3h n SER 271 Cb 0.49 -0.74 -0.02 0.00 -0.26 0.00 0.00 64.21 63.68 3a3h n SER 271 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a3h s ALA 272 N -3.14 3.51 -0.42 7.33 0.00 -0.38 -2.44 121.76 126.22 3a3h s ALA 272 Ca 0.09 1.26 0.23 0.00 0.00 0.00 0.00 51.96 53.54 3a3h s ALA 272 Cb 0.12 -3.48 0.31 0.00 0.00 0.00 0.00 23.12 20.06 3a3h s ALA 272 CO 0.52 -0.64 1.51 0.00 0.00 0.00 0.00 175.76 177.15 3a3h h ALA 273 N 3.63 0.90 -2.96 0.00 0.00 -1.14 -3.38 119.26 116.31 3a3h h ALA 273 Ca -0.48 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.79 3a3h h ALA 273 Cb 1.22 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.85 3a3h h ALA 273 CO 0.67 0.00 -0.78 -0.51 0.00 0.00 0.00 179.25 178.63 3a3h s LEU 274 N -5.93 2.65 0.48 0.00 1.43 -0.59 -1.71 118.68 115.00 3a3h s LEU 274 Ca 0.06 -0.79 -0.04 0.00 -1.03 0.00 0.00 54.13 52.32 3a3h s LEU 274 Cb 0.06 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 3a3h s LEU 274 CO 0.69 0.10 0.76 -0.04 0.23 0.00 0.00 176.35 178.09 3a3h s MET 275 N -2.87 3.43 0.47 1.70 -1.94 -0.02 -4.23 119.30 115.83 3a3h s MET 275 Ca 0.24 0.06 0.32 0.00 -1.71 0.00 0.00 55.69 54.59 3a3h s MET 275 Cb -0.08 -2.41 1.42 0.00 2.01 0.00 0.00 34.83 35.77 3a3h s MET 275 CO 0.12 -0.23 1.70 -1.35 -0.01 0.00 0.00 175.02 175.26 3a3h h PRO 276 N 0.25 0.13 -0.57 2.03 0.11 -1.89 -1.29 132.00 130.77 3a3h h PRO 276 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3a3h h PRO 276 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3a3h h PRO 276 CO 0.61 0.08 0.00 0.41 -0.21 0.00 0.00 178.00 178.90 3a3h n GLY 277 N -1.62 1.68 3.74 -0.55 0.00 -1.26 -4.98 105.19 102.19 3a3h n GLY 277 Ca 0.32 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3a3h n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a3h s ALA 278 N -1.25 3.73 0.22 4.61 0.00 -0.49 -4.94 121.76 123.65 3a3h s ALA 278 Ca 0.39 1.46 -0.30 0.00 0.00 0.00 0.00 51.96 53.50 3a3h s ALA 278 Cb 0.20 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 3a3h s ALA 278 CO 0.26 -0.86 1.36 1.21 0.00 0.00 0.00 175.76 177.73 3a3h s ASN 279 N 0.65 6.81 0.15 0.00 3.84 -1.26 -4.89 114.94 120.23 3a3h s ASN 279 Ca 0.64 2.51 0.21 0.00 0.21 0.00 0.00 52.86 56.43 3a3h s ASN 279 Cb -0.45 -2.62 0.85 0.00 -0.55 0.00 0.00 41.25 38.48 3a3h s ASN 279 CO 0.41 -0.59 1.63 -0.81 -2.79 0.00 0.00 177.10 174.96 3a3h n PRO 280 N 2.45 0.12 -0.52 0.43 -0.04 -1.26 -2.14 135.00 134.03 3a3h n PRO 280 Ca 0.06 0.33 0.09 0.00 -0.04 0.00 0.00 63.50 63.94 3a3h n PRO 280 Cb 0.42 -1.72 0.31 0.00 -0.04 0.00 0.00 33.50 32.47 3a3h n PRO 280 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3a3h n THR 281 N -1.95 1.78 -1.37 0.52 -2.24 -1.26 -4.42 114.28 105.34 3a3h n THR 281 Ca 0.03 -1.27 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 3a3h n THR 281 Cb 0.22 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3a3h n THR 281 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a3h n GLY 282 N 0.79 -1.82 1.72 3.38 0.00 -0.91 -3.27 105.19 105.09 3a3h n GLY 282 Ca 0.23 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3a3h n GLY 282 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a3h n GLY 283 N 0.00 0.47 3.76 -0.02 0.00 -1.26 -4.62 105.19 103.52 3a3h n GLY 283 Ca 0.00 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 3a3h n GLY 283 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a3h s TRP 284 N -2.00 2.69 0.82 1.61 0.51 -1.26 -5.03 118.94 116.27 3a3h s TRP 284 Ca 0.00 0.86 -0.09 0.00 -2.12 0.00 0.00 56.10 54.75 3a3h s TRP 284 Cb 0.00 -4.08 0.13 0.00 -0.81 0.00 0.00 33.47 28.71 3a3h s TRP 284 CO 0.00 -3.52 1.14 0.95 -0.51 0.00 0.00 176.95 175.01 3a3h s THR 285 N -0.28 2.11 0.26 2.01 -4.23 -1.26 -4.94 115.64 109.30 3a3h s THR 285 Ca 0.61 -0.22 -0.04 0.00 -1.18 0.00 0.00 61.69 60.85 3a3h s THR 285 Cb -0.48 -2.89 0.26 0.00 1.34 0.00 0.00 72.50 70.73 3a3h s THR 285 CO 0.52 0.00 1.90 -0.33 -0.54 0.00 0.00 174.62 176.17 3a3h h GLU 286 N -1.02 1.20 0.00 3.99 3.07 -1.95 -1.40 114.58 118.47 3a3h h GLU 286 Ca -0.43 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.35 3a3h h GLU 286 Cb 1.27 -0.27 -0.00 0.00 -0.84 0.00 0.00 28.75 28.91 3a3h h GLU 286 CO 0.47 0.80 -0.05 0.00 -1.40 0.00 0.00 179.01 178.83 3a3h h ALA 287 N 1.41 1.11 -0.01 3.43 0.00 -2.01 -2.15 119.26 121.04 3a3h h ALA 287 Ca 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3a3h h ALA 287 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3a3h h ALA 287 CO -0.13 0.07 -0.07 0.39 0.00 0.00 0.00 179.25 179.51 3a3h n GLU 288 N -3.31 1.48 -4.02 0.00 1.02 -0.53 -4.80 120.64 110.47 3a3h n GLU 288 Ca -0.01 -0.88 -0.36 0.00 -0.02 0.00 0.00 57.16 55.88 3a3h n GLU 288 Cb 0.22 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.09 3a3h n GLU 288 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a3h s LEU 289 N -2.13 4.16 0.95 -4.62 1.43 -0.81 -0.84 118.68 116.82 3a3h s LEU 289 Ca 0.34 0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 53.65 3a3h s LEU 289 Cb 0.20 -2.04 0.18 0.00 0.03 0.00 0.00 46.19 44.56 3a3h s LEU 289 CO 0.38 0.39 1.25 -0.94 0.23 0.00 0.00 176.35 177.66 3a3h s SER 290 N -1.07 3.19 0.25 2.29 1.04 -0.70 -4.70 113.70 114.01 3a3h s SER 290 Ca 0.15 0.49 -0.04 0.00 0.48 0.00 0.00 55.95 57.04 3a3h s SER 290 Cb -0.12 -0.71 0.38 0.00 0.10 0.00 0.00 66.02 65.67 3a3h s SER 290 CO 0.05 -2.71 1.84 -0.65 0.98 0.00 0.00 173.24 172.76 3a3h h PRO 291 N -1.62 0.93 0.05 4.02 0.11 -1.89 0.31 132.00 133.91 3a3h h PRO 291 Ca -0.45 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3a3h h PRO 291 Cb 1.27 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3a3h h PRO 291 CO 0.46 0.62 -0.02 1.03 -0.21 0.00 0.00 178.00 179.87 3a3h h SER 292 N 0.96 -0.05 -0.82 -2.05 0.87 -1.80 -2.64 113.55 108.01 3a3h h SER 292 Ca 0.40 -0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.80 3a3h h SER 292 Cb 0.24 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.17 3a3h h SER 292 CO -0.20 0.15 0.53 1.23 -0.53 0.00 0.00 176.83 178.01 3a3h h GLY 293 N -0.26 1.17 0.78 5.77 0.00 -1.47 -0.62 103.07 108.45 3a3h h GLY 293 Ca -0.01 -0.41 0.03 0.00 0.00 0.00 0.00 47.33 46.95 3a3h h GLY 293 CO 0.01 0.37 0.20 -0.84 0.00 0.00 0.00 176.54 176.28 3a3h h THR 294 N 1.05 0.97 -0.14 4.70 2.02 -0.93 -0.09 112.91 120.49 3a3h h THR 294 Ca 0.31 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 3a3h h THR 294 Cb -0.05 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3a3h h THR 294 CO -0.09 0.07 0.04 0.15 0.37 0.00 0.00 175.52 176.06 3a3h h PHE 295 N 0.41 0.24 -0.53 3.16 3.57 -1.09 -1.99 116.94 120.70 3a3h h PHE 295 Ca 0.18 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3a3h h PHE 295 Cb 0.09 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3a3h h PHE 295 CO -0.10 0.37 0.29 0.28 -2.23 0.00 0.00 178.31 176.92 3a3h h VAL 296 N 0.03 1.18 -0.49 1.41 2.07 -0.97 -0.52 116.25 118.98 3a3h h VAL 296 Ca 0.04 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.16 3a3h h VAL 296 Cb 0.25 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 3a3h h VAL 296 CO 0.00 0.19 0.20 -0.09 0.02 0.00 0.00 177.57 177.90 3a3h h ARG 297 N 0.72 0.39 -0.66 1.57 2.43 -1.00 -1.32 114.38 116.51 3a3h h ARG 297 Ca 0.19 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 3a3h h ARG 297 Cb 0.05 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3a3h h ARG 297 CO -0.03 0.26 0.40 0.93 -1.51 0.00 0.00 179.97 180.02 3a3h h GLU 298 N 0.40 0.75 -0.70 0.20 5.08 -0.80 -0.40 114.58 119.11 3a3h h GLU 298 Ca 0.23 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3a3h h GLU 298 Cb 0.20 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3a3h h GLU 298 CO -0.20 0.50 0.33 0.87 -1.00 0.00 0.00 179.01 179.51 3a3h h LYS 299 N 0.78 1.02 -0.07 2.33 1.79 -0.45 -0.50 116.57 121.46 3a3h h LYS 299 Ca 0.27 -0.15 -0.18 0.00 -2.18 0.00 0.00 60.65 58.41 3a3h h LYS 299 Cb 0.05 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 3a3h h LYS 299 CO -0.12 0.81 -0.72 0.82 -1.08 0.00 0.00 179.45 179.15 3a3h h ILE 300 N 0.99 1.39 -0.34 1.86 2.04 -0.97 -2.76 117.51 119.71 3a3h h ILE 300 Ca 0.24 -2.15 -0.10 0.00 1.00 0.00 0.00 64.86 63.85 3a3h h ILE 300 Cb 0.13 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.32 3a3h h ILE 300 CO -0.03 0.64 -0.21 0.03 0.00 0.00 0.00 178.15 178.59 3a3h h ARG 301 N 0.25 0.64 -0.19 2.37 3.08 -0.80 -2.59 114.38 117.15 3a3h h ARG 301 Ca -0.03 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 3a3h h ARG 301 Cb 1.29 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 3a3h h ARG 301 CO 0.12 0.80 -0.12 0.93 -1.07 0.00 0.00 179.97 180.63 3a3h h GLU 302 N 0.56 0.30 0.00 0.04 5.08 -1.05 -3.50 114.58 116.02 3a3h h GLU 302 Ca 0.09 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3a3h h GLU 302 Cb 0.66 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3a3h h GLU 302 CO 0.05 0.43 0.00 0.45 -1.00 0.00 0.00 179.01 178.94