#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xat h TYR 4 N 0.00 0.00 -3.87 1.20 3.20 -1.81 -3.42 116.97 112.27 1xat h TYR 4 Ca 0.00 0.00 -0.68 0.00 3.14 0.00 0.00 58.73 61.19 1xat h TYR 4 Cb 0.00 0.00 -0.21 0.00 1.54 0.00 0.00 36.73 38.06 1xat h TYR 4 CO 0.00 0.00 -0.76 -0.06 -1.64 0.00 0.00 178.16 175.70 1xat s PHE 5 N -3.55 2.72 0.03 -3.82 0.08 -1.26 -5.02 117.98 107.17 1xat s PHE 5 Ca -0.00 -0.15 0.04 0.00 0.12 0.00 0.00 56.93 56.94 1xat s PHE 5 Cb 0.08 -1.58 -0.25 0.00 -0.57 0.00 0.00 43.02 40.71 1xat s PHE 5 CO 0.31 0.27 0.96 1.05 -0.10 0.00 0.00 175.22 177.71 1xat h GLU 6 N 4.85 0.12 -3.17 0.44 9.09 -1.82 -3.47 114.58 120.61 1xat h GLU 6 Ca -0.47 -0.20 -0.13 0.00 0.05 0.00 0.00 59.36 58.61 1xat h GLU 6 Cb 1.16 0.07 -0.21 0.00 -1.65 0.00 0.00 28.75 28.12 1xat h GLU 6 CO 0.51 0.95 -0.35 0.45 0.05 0.00 0.00 179.01 180.61 1xat s SER 7 N -6.71 -0.14 0.58 3.06 0.15 -1.26 -5.00 113.70 104.37 1xat s SER 7 Ca -0.05 0.08 0.39 0.00 0.70 0.00 0.00 55.95 57.07 1xat s SER 7 Cb 0.08 0.32 2.07 0.00 -1.71 0.00 0.00 66.02 66.79 1xat s SER 7 CO 0.84 -0.37 2.19 1.55 1.20 0.00 0.00 173.24 178.64 1xat h PRO 8 N 4.27 0.00 -0.52 5.44 0.13 -1.94 -0.81 132.00 138.56 1xat h PRO 8 Ca -0.29 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.77 1xat h PRO 8 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 1xat h PRO 8 CO 0.39 0.00 0.07 1.19 -0.23 0.00 0.00 178.00 179.42 1xat n PHE 9 N -2.89 1.82 -3.47 1.56 3.72 -1.26 -4.85 117.46 112.08 1xat n PHE 9 Ca -0.02 -0.93 -0.20 0.00 -0.05 0.00 0.00 57.45 56.25 1xat n PHE 9 Cb 0.08 -0.50 -0.12 0.00 -0.94 0.00 0.00 39.48 38.00 1xat n PHE 9 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1xat s ARG 10 N -2.87 0.23 0.49 -1.08 1.81 -0.31 -5.15 118.95 112.07 1xat s ARG 10 Ca 0.51 -0.04 0.07 0.00 -1.72 0.00 0.00 55.73 54.55 1xat s ARG 10 Cb 0.40 -1.05 0.04 0.00 -0.45 0.00 0.00 34.95 33.89 1xat s ARG 10 CO 0.13 -0.83 0.67 0.20 -0.68 0.00 0.00 175.30 174.78 1xat s GLY 11 N 2.29 1.87 0.17 -3.53 0.00 -1.26 -4.46 107.32 102.41 1xat s GLY 11 Ca 0.08 -1.72 0.09 0.00 0.00 0.00 0.00 44.72 43.17 1xat s GLY 11 CO -0.23 -1.45 -0.20 0.54 0.00 0.00 0.00 173.10 171.77 1xat s LYS 12 N -4.52 1.33 0.57 2.90 1.02 -0.49 -4.93 119.74 115.61 1xat s LYS 12 Ca 0.57 -1.44 -0.21 0.00 0.02 0.00 0.00 55.97 54.92 1xat s LYS 12 Cb -0.09 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.73 1xat s LYS 12 CO 0.36 0.30 1.31 -0.51 -0.92 0.00 0.00 175.35 175.89 1xat s LEU 13 N -2.67 3.78 0.10 3.17 1.43 -1.26 -1.80 118.68 121.42 1xat s LEU 13 Ca 0.17 2.65 -0.17 0.00 -1.03 0.00 0.00 54.13 55.75 1xat s LEU 13 Cb -0.06 -4.39 -0.06 0.00 0.03 0.00 0.00 46.19 41.71 1xat s LEU 13 CO 0.07 -1.62 1.53 -0.07 0.23 0.00 0.00 176.35 176.49 1xat h LEU 14 N 1.23 0.56 -2.16 1.79 3.38 -1.66 -2.62 115.31 115.82 1xat h LEU 14 Ca -0.51 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.20 1xat h LEU 14 Cb 1.30 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1xat h LEU 14 CO 0.56 0.74 0.21 0.28 0.09 0.00 0.00 178.44 180.32 1xat h SER 15 N 0.35 0.00 -0.53 -0.43 0.02 -1.84 0.22 113.55 111.35 1xat h SER 15 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1xat h SER 15 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1xat h SER 15 CO 0.02 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 175.09 1xat n GLU 16 N -4.01 3.01 0.00 3.45 4.71 -0.99 -4.46 120.64 122.34 1xat n GLU 16 Ca 0.02 -2.22 0.00 0.00 -0.01 0.00 0.00 57.16 54.95 1xat n GLU 16 Cb 0.34 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 1xat n GLU 16 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1xat n GLN 17 N 0.91 2.17 -1.85 3.49 10.64 -0.48 -4.92 117.38 127.34 1xat n GLN 17 Ca 0.20 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 55.02 1xat n GLN 17 Cb 0.68 -0.18 0.05 0.00 -0.86 0.00 0.00 30.24 29.93 1xat n GLN 17 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1xat s VAL 18 N 0.00 2.59 0.00 -0.39 1.01 0.66 -4.47 120.40 119.80 1xat s VAL 18 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.32 1xat s VAL 18 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1xat s VAL 18 CO 0.00 -0.10 0.00 -0.24 0.00 0.00 0.00 175.10 174.76 1xat n SER 19 N -1.93 0.00 -4.72 3.32 2.88 -1.26 -4.99 113.62 106.92 1xat n SER 19 Ca 0.13 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.26 1xat n SER 19 Cb 0.50 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.93 1xat n SER 19 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1xat s ASN 20 N -0.60 6.90 0.61 -3.46 3.84 -1.26 -4.87 114.94 116.09 1xat s ASN 20 Ca 0.00 2.28 0.40 0.00 0.21 0.00 0.00 52.86 55.75 1xat s ASN 20 Cb 0.00 -2.59 2.03 0.00 -0.55 0.00 0.00 41.25 40.14 1xat s ASN 20 CO 0.00 -0.58 2.21 -0.65 -2.79 0.00 0.00 177.10 175.29 1xat h PRO 21 N 6.42 0.00 -0.90 0.43 0.11 -1.91 -2.44 132.00 133.71 1xat h PRO 21 Ca -0.43 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.49 1xat h PRO 21 Cb 1.21 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.20 1xat h PRO 21 CO 0.83 0.00 0.25 0.09 -0.21 0.00 0.00 178.00 178.96 1xat n ASN 22 N -3.02 3.65 -3.92 -2.05 3.02 -1.26 -4.72 115.26 106.95 1xat n ASN 22 Ca -0.02 -2.84 -0.29 0.00 -0.03 0.00 0.00 54.58 51.41 1xat n ASN 22 Cb 0.14 -0.67 -0.16 0.00 -0.61 0.00 0.00 39.78 38.47 1xat n ASN 22 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xat s ILE 23 N -2.06 1.24 -0.45 2.41 1.01 -0.92 -2.18 121.20 120.25 1xat s ILE 23 Ca 0.35 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 1xat s ILE 23 Cb 0.28 -1.36 0.12 0.00 0.01 0.00 0.00 42.46 41.51 1xat s ILE 23 CO 0.08 0.18 0.25 -0.13 0.00 0.00 0.00 174.94 175.32 1xat s ARG 24 N 1.58 2.10 0.21 2.79 3.00 -0.66 -4.90 118.95 123.07 1xat s ARG 24 Ca 0.01 -1.96 -0.03 0.00 0.00 0.00 0.00 55.73 53.75 1xat s ARG 24 Cb -0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 34.95 31.14 1xat s ARG 24 CO -0.08 -1.09 0.43 0.14 0.00 0.00 0.00 175.30 174.70 1xat s VAL 25 N 0.91 5.13 0.61 3.52 -7.23 -1.26 -0.89 120.40 121.20 1xat s VAL 25 Ca 0.10 -0.10 0.07 0.00 -1.81 0.00 0.00 61.98 60.24 1xat s VAL 25 Cb -0.22 -3.69 0.10 0.00 0.56 0.00 0.00 36.38 33.12 1xat s VAL 25 CO -0.04 -0.14 0.84 -0.83 -0.31 0.00 0.00 175.10 174.62 1xat s GLY 26 N -2.91 1.74 0.44 2.32 0.00 -0.22 -4.93 107.32 103.76 1xat s GLY 26 Ca 0.41 -2.04 -0.24 0.00 0.00 0.00 0.00 44.72 42.85 1xat s GLY 26 CO 0.28 -1.55 1.18 1.09 0.00 0.00 0.00 173.10 174.09 1xat s ARG 27 N -4.79 3.82 0.00 2.90 1.70 -1.26 -3.48 118.95 117.84 1xat s ARG 27 Ca 0.63 1.83 0.00 0.00 -0.47 0.00 0.00 55.73 57.72 1xat s ARG 27 Cb -0.06 -2.49 0.00 0.00 -0.57 0.00 0.00 34.95 31.83 1xat s ARG 27 CO 0.40 -0.51 0.00 0.66 -1.08 0.00 0.00 175.30 174.77 1xat n TYR 28 N -0.33 0.00 -1.99 5.89 4.01 -1.26 -1.16 117.16 122.32 1xat n TYR 28 Ca 0.06 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.39 1xat n TYR 28 Cb 0.47 -0.59 -0.02 0.00 -0.31 0.00 0.00 39.34 38.88 1xat n TYR 28 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1xat s SER 29 N -2.14 6.63 0.18 7.72 0.01 -1.23 -4.55 113.70 120.32 1xat s SER 29 Ca 0.00 2.68 0.03 0.00 1.31 0.00 0.00 55.95 59.96 1xat s SER 29 Cb 0.00 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.56 1xat s SER 29 CO 0.00 -0.73 -0.02 -0.72 0.41 0.00 0.00 173.24 172.18 1xat s TYR 30 N 0.15 1.29 -0.02 2.43 1.13 0.94 -1.69 117.35 121.58 1xat s TYR 30 Ca 0.61 -0.94 0.02 0.00 -1.41 0.00 0.00 57.07 55.35 1xat s TYR 30 Cb -0.42 -0.72 0.00 0.00 -1.10 0.00 0.00 41.96 39.72 1xat s TYR 30 CO 0.42 -0.11 -0.05 -0.47 -2.51 0.00 0.00 175.55 172.83 1xat s TYR 31 N -3.53 0.55 -0.30 -3.49 5.04 -0.75 -0.69 117.35 114.18 1xat s TYR 31 Ca 0.23 -0.11 0.02 0.00 -2.44 0.00 0.00 57.07 54.77 1xat s TYR 31 Cb 0.05 -0.41 0.09 0.00 0.35 0.00 0.00 41.96 42.04 1xat s TYR 31 CO 0.04 -0.06 0.02 0.45 -1.34 0.00 0.00 175.55 174.66 1xat s SER 32 N 0.19 4.39 -0.29 4.32 0.15 -0.99 -1.40 113.70 120.07 1xat s SER 32 Ca -0.02 -1.77 0.08 0.00 0.70 0.00 0.00 55.95 54.94 1xat s SER 32 Cb -0.06 -1.36 0.46 0.00 -1.71 0.00 0.00 66.02 63.35 1xat s SER 32 CO -0.00 -0.34 1.33 0.61 1.20 0.00 0.00 173.24 176.03 1xat n GLY 33 N 4.48 5.53 0.41 9.45 0.00 -1.26 -2.19 105.19 121.61 1xat n GLY 33 Ca -0.02 -1.77 0.20 0.00 0.00 0.00 0.00 46.02 44.43 1xat n GLY 33 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1xat h TYR 34 N 1.43 0.38 -0.06 1.61 5.03 -1.91 0.72 116.97 124.18 1xat h TYR 34 Ca 0.21 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.54 1xat h TYR 34 Cb 1.34 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 39.51 1xat h TYR 34 CO 0.91 0.11 0.00 0.66 -1.32 0.00 0.00 178.16 178.52 1xat n TYR 35 N -4.45 0.07 -0.49 -3.82 4.01 -1.26 -3.14 117.16 108.08 1xat n TYR 35 Ca 0.18 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 1xat n TYR 35 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 1xat n TYR 35 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1xat n HIS 36 N -0.38 0.00 -0.14 -0.72 8.25 0.34 -4.93 115.22 117.64 1xat n HIS 36 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1xat n HIS 36 Cb 0.17 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1xat n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xat n GLY 37 N 0.09 0.00 3.83 -1.41 0.00 0.22 -4.94 105.19 102.98 1xat n GLY 37 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1xat n GLY 37 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1xat s HIS 38 N -0.72 3.34 0.94 1.61 -3.43 -1.26 -2.22 115.29 113.56 1xat s HIS 38 Ca 0.00 0.19 -0.11 0.00 -0.80 0.00 0.00 55.06 54.34 1xat s HIS 38 Cb 0.00 -1.72 0.16 0.00 -1.43 0.00 0.00 32.58 29.59 1xat s HIS 38 CO 0.00 0.56 1.10 -1.54 -2.00 0.00 0.00 174.74 172.86 1xat s SER 39 N -2.15 2.84 0.65 7.38 1.04 -1.26 -4.76 113.70 117.43 1xat s SER 39 Ca 0.28 1.85 0.31 0.00 0.48 0.00 0.00 55.95 58.87 1xat s SER 39 Cb -0.12 -2.43 1.69 0.00 0.10 0.00 0.00 66.02 65.26 1xat s SER 39 CO 0.20 -3.10 1.97 0.15 0.98 0.00 0.00 173.24 173.45 1xat h PHE 40 N -1.86 0.00 -0.43 5.02 3.57 -1.96 -2.89 116.94 118.39 1xat h PHE 40 Ca -0.48 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 1xat h PHE 40 Cb 1.28 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.00 1xat h PHE 40 CO 0.45 0.00 0.24 -0.44 -2.23 0.00 0.00 178.31 176.32 1xat h ASP 41 N 0.00 0.52 -0.02 0.41 5.19 -1.90 -1.84 116.42 118.78 1xat h ASP 41 Ca 0.03 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1xat h ASP 41 Cb 0.65 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1xat h ASP 41 CO -0.00 0.42 0.00 0.47 -3.12 0.00 0.00 179.24 177.01 1xat n ASP 42 N -4.43 0.22 0.15 6.45 9.92 -1.09 -2.99 116.55 124.79 1xat n ASP 42 Ca 0.03 -1.38 0.05 0.00 -0.53 0.00 0.00 54.79 52.96 1xat n ASP 42 Cb 0.10 -0.01 0.05 0.00 -0.64 0.00 0.00 41.12 40.61 1xat n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xat s ALA 44 N -3.03 3.12 0.13 0.00 0.00 -1.16 -0.60 121.76 120.23 1xat s ALA 44 Ca 0.04 -1.91 -0.30 0.00 0.00 0.00 0.00 51.96 49.79 1xat s ALA 44 Cb 0.07 -3.88 -0.06 0.00 0.00 0.00 0.00 23.12 19.24 1xat s ALA 44 CO 0.74 -2.80 1.01 1.03 0.00 0.00 0.00 175.76 175.74 1xat s ARG 45 N 3.99 4.66 -1.49 0.00 1.81 -0.66 -3.83 118.95 123.44 1xat s ARG 45 Ca 0.23 1.55 -0.07 0.00 -1.72 0.00 0.00 55.73 55.72 1xat s ARG 45 Cb -0.16 -3.34 0.02 0.00 -0.45 0.00 0.00 34.95 31.02 1xat s ARG 45 CO 0.09 0.16 0.71 0.66 -0.68 0.00 0.00 175.30 176.24 1xat n TYR 46 N 2.65 -2.12 -3.61 -0.53 4.01 -1.26 -1.46 117.16 114.84 1xat n TYR 46 Ca 0.03 0.62 -0.37 0.00 -0.16 0.00 0.00 57.90 58.01 1xat n TYR 46 Cb 0.48 -4.32 -0.10 0.00 -0.31 0.00 0.00 39.34 35.09 1xat n TYR 46 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1xat s LEU 47 N -6.80 4.08 -0.16 7.72 2.96 -1.25 -3.96 118.68 121.27 1xat s LEU 47 Ca 0.39 0.10 -0.27 0.00 -0.22 0.00 0.00 54.13 54.12 1xat s LEU 47 Cb -0.18 -2.15 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 1xat s LEU 47 CO 0.48 0.01 0.93 -0.04 -1.32 0.00 0.00 176.35 176.40 1xat s MET 48 N 1.37 4.33 0.12 1.98 -1.94 -1.26 -4.89 119.30 119.00 1xat s MET 48 Ca 0.08 1.20 0.27 0.00 -1.71 0.00 0.00 55.69 55.54 1xat s MET 48 Cb -0.15 -3.58 0.98 0.00 2.01 0.00 0.00 34.83 34.10 1xat s MET 48 CO 0.07 -0.39 1.83 -0.35 -0.01 0.00 0.00 175.02 176.18 1xat n PRO 49 N 5.39 0.15 0.04 2.03 -0.04 -1.26 -4.09 135.00 137.21 1xat n PRO 49 Ca 0.07 0.12 -0.03 0.00 -0.04 0.00 0.00 63.50 63.62 1xat n PRO 49 Cb 0.48 -1.67 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 1xat n PRO 49 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xat h ASP 50 N 0.00 -0.17 -3.44 3.54 5.19 -2.03 -3.42 116.42 116.09 1xat h ASP 50 Ca 0.00 0.01 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 1xat h ASP 50 Cb 0.64 0.04 0.01 0.00 0.18 0.00 0.00 39.33 40.20 1xat h ASP 50 CO 0.00 0.26 0.52 0.00 -3.12 0.00 0.00 179.24 176.90 1xat s ARG 51 N -2.16 4.52 0.09 3.56 1.70 -1.26 -4.93 118.95 120.47 1xat s ARG 51 Ca -0.03 1.77 0.25 0.00 -0.47 0.00 0.00 55.73 57.24 1xat s ARG 51 Cb 0.00 -3.29 0.45 0.00 -0.57 0.00 0.00 34.95 31.54 1xat s ARG 51 CO 0.09 -0.06 1.39 -0.25 -1.08 0.00 0.00 175.30 175.39 1xat n ASP 52 N 2.86 0.62 0.21 -2.89 8.00 -1.26 -3.87 116.55 120.23 1xat n ASP 52 Ca 0.05 0.08 0.14 0.00 0.71 0.00 0.00 54.79 55.77 1xat n ASP 52 Cb 0.46 0.11 0.44 0.00 -0.02 0.00 0.00 41.12 42.11 1xat n ASP 52 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 1xat h ASP 53 N 0.00 0.00 -4.14 -2.24 3.04 -1.98 -3.47 116.42 107.63 1xat h ASP 53 Ca 0.00 0.00 -0.46 0.00 -3.24 0.00 0.00 57.03 53.33 1xat h ASP 53 Cb 0.68 0.00 0.12 0.00 -1.04 0.00 0.00 39.33 39.09 1xat h ASP 53 CO 0.00 0.00 0.37 0.68 -2.04 0.00 0.00 179.24 178.25 1xat s VAL 54 N -3.38 2.05 0.55 4.15 -7.23 -1.25 -5.06 120.40 110.22 1xat s VAL 54 Ca 0.05 -0.07 -0.18 0.00 -1.81 0.00 0.00 61.98 59.97 1xat s VAL 54 Cb 0.08 -2.98 -0.06 0.00 0.56 0.00 0.00 36.38 33.99 1xat s VAL 54 CO 0.58 0.00 1.05 -1.81 -0.31 0.00 0.00 175.10 174.60 1xat s ASP 55 N -4.69 6.06 0.15 4.85 1.01 -1.26 -5.01 116.67 117.78 1xat s ASP 55 Ca 0.66 1.85 0.10 0.00 0.71 0.00 0.00 52.55 55.87 1xat s ASP 55 Cb -0.08 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1xat s ASP 55 CO 0.50 -0.98 -0.22 -0.54 0.21 0.00 0.00 175.17 174.14 1xat s LYS 56 N -3.74 1.33 -0.27 8.23 1.02 -1.26 -4.92 119.74 120.13 1xat s LYS 56 Ca 0.65 -1.37 -0.12 0.00 0.02 0.00 0.00 55.97 55.15 1xat s LYS 56 Cb -0.16 -1.60 -0.05 0.00 -0.52 0.00 0.00 37.83 35.51 1xat s LYS 56 CO 0.30 0.35 0.23 -1.17 -0.92 0.00 0.00 175.35 174.14 1xat s LEU 57 N -2.37 4.03 -0.15 3.17 2.96 -0.93 -1.10 118.68 124.30 1xat s LEU 57 Ca 0.15 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1xat s LEU 57 Cb -0.08 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.43 1xat s LEU 57 CO 0.07 -0.07 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.12 1xat s VAL 58 N 1.77 2.04 -0.16 1.68 1.01 0.05 -1.65 120.40 125.15 1xat s VAL 58 Ca 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.11 1xat s VAL 58 Cb -0.16 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1xat s VAL 58 CO 0.10 0.55 -0.16 -0.63 0.00 0.00 0.00 175.10 174.96 1xat s ILE 59 N 0.89 2.56 0.28 2.22 1.01 -0.06 -0.33 121.20 127.76 1xat s ILE 59 Ca -0.05 -0.80 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 1xat s ILE 59 Cb -0.15 -2.08 0.07 0.00 0.01 0.00 0.00 42.46 40.32 1xat s ILE 59 CO -0.04 0.52 0.18 0.61 0.00 0.00 0.00 174.94 176.21 1xat n GLY 60 N 4.14 -3.55 3.90 6.18 0.00 0.17 -1.06 105.19 114.97 1xat n GLY 60 Ca -0.19 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 1xat n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xat s SER 61 N -2.19 6.44 -1.57 1.61 1.04 -1.26 -3.19 113.70 114.58 1xat s SER 61 Ca 0.13 0.82 -0.00 0.00 0.48 0.00 0.00 55.95 57.38 1xat s SER 61 Cb -0.02 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.91 1xat s SER 61 CO 0.11 -0.28 0.03 0.49 0.98 0.00 0.00 173.24 174.56 1xat n PHE 62 N -1.17 -0.92 -3.30 5.02 3.72 -0.31 -0.75 117.46 119.75 1xat n PHE 62 Ca -0.01 0.02 -0.38 0.00 -0.05 0.00 0.00 57.45 57.03 1xat n PHE 62 Cb 0.54 -3.65 -0.06 0.00 -0.94 0.00 0.00 39.48 35.37 1xat n PHE 62 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xat s SER 64 N -0.61 4.95 -0.23 0.00 0.01 -1.12 -0.04 113.70 116.66 1xat s SER 64 Ca 0.28 -0.73 -0.04 0.00 1.31 0.00 0.00 55.95 56.78 1xat s SER 64 Cb -0.18 -1.84 0.00 0.00 0.21 0.00 0.00 66.02 64.22 1xat s SER 64 CO 0.16 -0.17 -0.04 -0.63 0.41 0.00 0.00 173.24 172.97 1xat s ILE 65 N 1.47 3.28 0.95 1.44 1.01 0.13 -1.63 121.20 127.85 1xat s ILE 65 Ca 0.02 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.93 1xat s ILE 65 Cb -0.17 -2.54 0.16 0.00 0.01 0.00 0.00 42.46 39.92 1xat s ILE 65 CO 0.01 0.35 1.10 -0.83 0.00 0.00 0.00 174.94 175.57 1xat s GLY 66 N 1.44 1.64 0.69 6.18 0.00 0.42 -2.36 107.32 115.33 1xat s GLY 66 Ca 0.04 0.23 -0.17 0.00 0.00 0.00 0.00 44.72 44.83 1xat s GLY 66 CO -0.03 0.72 1.15 -1.26 0.00 0.00 0.00 173.10 173.68 1xat n SER 67 N -4.22 1.33 -1.13 1.64 2.88 -0.93 -3.18 113.62 110.01 1xat n SER 67 Ca 0.08 0.75 -0.10 0.00 -1.33 0.00 0.00 58.87 58.26 1xat n SER 67 Cb 0.53 -1.49 -0.04 0.00 -0.75 0.00 0.00 64.21 62.46 1xat n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xat n GLY 68 N 0.96 1.00 3.69 0.46 0.00 -1.26 0.13 105.19 110.17 1xat n GLY 68 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1xat n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xat s ALA 69 N -1.82 1.61 -0.13 4.61 0.00 -1.19 -3.93 121.76 120.91 1xat s ALA 69 Ca 0.00 0.49 -0.09 0.00 0.00 0.00 0.00 51.96 52.36 1xat s ALA 69 Cb 0.00 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.76 1xat s ALA 69 CO 0.00 -2.56 0.33 0.00 0.00 0.00 0.00 175.76 173.53 1xat s ALA 70 N -2.71 -0.80 -0.37 0.00 0.00 -0.67 -4.72 121.76 112.49 1xat s ALA 70 Ca 0.65 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1xat s ALA 70 Cb -0.21 -0.66 0.10 0.00 0.00 0.00 0.00 23.12 22.35 1xat s ALA 70 CO 0.58 -0.19 0.12 -0.06 0.00 0.00 0.00 175.76 176.20 1xat s PHE 71 N 0.77 3.65 0.00 0.00 0.40 0.23 -1.03 117.98 122.01 1xat s PHE 71 Ca -0.05 -2.65 -0.30 0.00 -0.60 0.00 0.00 56.93 53.33 1xat s PHE 71 Cb -0.06 -3.02 -0.06 0.00 0.51 0.00 0.00 43.02 40.39 1xat s PHE 71 CO -0.05 -0.95 1.58 0.42 0.70 0.00 0.00 175.22 176.91 1xat s ILE 72 N 1.04 3.43 0.00 0.64 -1.09 -0.50 -1.66 121.20 123.07 1xat s ILE 72 Ca 0.08 0.74 0.00 0.00 -2.23 0.00 0.00 60.65 59.25 1xat s ILE 72 Cb -0.21 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.19 1xat s ILE 72 CO -0.06 -0.03 0.00 0.23 -1.23 0.00 0.00 174.94 173.86 1xat n MET 73 N 6.11 2.27 -2.55 2.79 2.81 -0.54 -3.06 117.12 124.95 1xat n MET 73 Ca 0.16 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.94 1xat n MET 73 Cb 0.42 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.95 1xat n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xat n ALA 74 N -3.00 -0.43 0.00 3.04 0.00 -1.25 -4.81 120.51 114.05 1xat n ALA 74 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1xat n ALA 74 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.47 1xat n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xat n GLY 75 N -1.10 1.47 0.08 0.00 0.00 -1.26 -1.06 105.19 103.32 1xat n GLY 75 Ca -0.06 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 45.83 1xat n GLY 75 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xat n ASN 76 N -1.41 0.42 -2.00 1.61 6.94 -1.20 -4.86 115.26 114.76 1xat n ASN 76 Ca 0.00 0.60 -0.17 0.00 -0.02 0.00 0.00 54.58 54.99 1xat n ASN 76 Cb 0.00 -0.69 -0.00 0.00 -2.36 0.00 0.00 39.78 36.72 1xat n ASN 76 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xat n GLN 77 N -1.96 -1.70 -1.09 -3.83 6.02 -0.22 -2.05 117.38 112.55 1xat n GLN 77 Ca 0.03 0.81 -0.03 0.00 -0.01 0.00 0.00 57.00 57.79 1xat n GLN 77 Cb 0.21 -5.25 -0.01 0.00 1.02 0.00 0.00 30.24 26.20 1xat n GLN 77 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xat n GLY 78 N -1.06 0.62 3.41 1.08 0.00 -1.26 -4.92 105.19 103.06 1xat n GLY 78 Ca -0.19 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 1xat n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xat s HIS 79 N -2.05 3.24 -0.45 1.61 3.76 -0.87 -4.36 115.29 116.17 1xat s HIS 79 Ca 0.00 -0.79 -0.12 0.00 -0.15 0.00 0.00 55.06 53.99 1xat s HIS 79 Cb 0.00 -2.50 0.08 0.00 1.11 0.00 0.00 32.58 31.27 1xat s HIS 79 CO 0.00 -0.61 0.33 1.03 -0.85 0.00 0.00 174.74 174.64 1xat s ARG 80 N 1.61 2.80 0.58 1.40 1.81 -1.26 -4.87 118.95 121.03 1xat s ARG 80 Ca 0.03 -1.41 0.36 0.00 -1.72 0.00 0.00 55.73 52.99 1xat s ARG 80 Cb -0.19 -3.97 1.76 0.00 -0.45 0.00 0.00 34.95 32.10 1xat s ARG 80 CO 0.08 -1.00 2.14 0.00 -0.68 0.00 0.00 175.30 175.84 1xat h ALA 81 N 8.59 1.07 -0.16 2.13 0.00 -1.95 -2.24 119.26 126.70 1xat h ALA 81 Ca -0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xat h ALA 81 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1xat h ALA 81 CO 0.83 0.04 0.00 -0.85 0.00 0.00 0.00 179.25 179.27 1xat n GLU 82 N -3.22 1.73 -2.96 0.00 0.00 -1.26 -4.85 120.64 110.08 1xat n GLU 82 Ca -0.01 -1.09 -0.19 0.00 0.00 0.00 0.00 57.16 55.87 1xat n GLU 82 Cb 0.21 -1.40 0.02 0.00 0.00 0.00 0.00 31.44 30.27 1xat n GLU 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 1xat s TRP 83 N -1.80 2.92 0.07 -1.84 0.52 -0.84 -4.98 118.94 112.98 1xat s TRP 83 Ca 0.33 -0.18 0.33 0.00 0.02 0.00 0.00 56.10 56.59 1xat s TRP 83 Cb 0.18 -2.43 1.48 0.00 -1.15 0.00 0.00 33.47 31.54 1xat s TRP 83 CO 0.27 -0.49 1.98 0.00 0.02 0.00 0.00 176.95 178.72 1xat h ALA 84 N 0.47 1.00 -3.62 0.98 0.00 -1.88 -3.42 119.26 112.79 1xat h ALA 84 Ca -0.42 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.21 1xat h ALA 84 Cb 1.28 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.75 1xat h ALA 84 CO 0.50 0.00 -0.73 0.45 0.00 0.00 0.00 179.25 179.47 1xat s SER 85 N -5.17 0.12 -0.15 0.00 0.15 -1.26 -5.02 113.70 102.37 1xat s SER 85 Ca 0.00 0.01 0.10 0.00 0.70 0.00 0.00 55.95 56.76 1xat s SER 85 Cb 0.10 -0.06 0.57 0.00 -1.71 0.00 0.00 66.02 64.91 1xat s SER 85 CO 0.46 -0.07 1.38 0.35 1.20 0.00 0.00 173.24 176.56 1xat n THR 86 N 3.69 1.84 -3.19 6.45 -2.24 -1.26 -4.61 114.28 114.95 1xat n THR 86 Ca -0.21 -0.96 -0.39 0.00 -2.27 0.00 0.00 64.05 60.22 1xat n THR 86 Cb 0.54 -0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.42 1xat n THR 86 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1xat s PHE 87 N -2.16 3.40 -0.73 4.78 2.19 -1.26 -4.71 117.98 119.48 1xat s PHE 87 Ca 0.38 0.87 -0.05 0.00 0.33 0.00 0.00 56.93 58.45 1xat s PHE 87 Cb 0.28 -2.71 -0.07 0.00 -1.31 0.00 0.00 43.02 39.21 1xat s PHE 87 CO 0.12 -0.09 2.17 -0.35 1.83 0.00 0.00 175.22 178.90 1xat n PRO 88 N 4.71 1.91 -0.32 10.12 -0.04 -1.26 -4.68 135.00 145.44 1xat n PRO 88 Ca -0.04 -1.28 -0.01 0.00 -0.04 0.00 0.00 63.50 62.14 1xat n PRO 88 Cb 0.50 -2.31 0.04 0.00 -0.04 0.00 0.00 33.50 31.70 1xat n PRO 88 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1xat h PHE 89 N 5.83 -0.94 -1.21 0.54 0.04 -1.93 0.16 116.94 119.43 1xat h PHE 89 Ca 0.42 0.09 0.35 0.00 2.80 0.00 0.00 57.97 61.63 1xat h PHE 89 Cb 0.32 0.54 -0.07 0.00 2.20 0.00 0.00 35.95 38.94 1xat h PHE 89 CO 1.85 -0.40 0.84 1.25 -0.60 0.00 0.00 178.31 181.25 1xat h HIS 90 N -0.05 0.25 0.00 -0.55 2.76 -1.80 0.33 115.15 116.10 1xat h HIS 90 Ca 0.33 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 1xat h HIS 90 Cb 0.59 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1xat h HIS 90 CO -0.78 -0.01 -0.67 0.74 -1.30 0.00 0.00 177.93 175.92 1xat h PHE 91 N 0.13 0.00 -0.14 5.26 0.04 -1.04 -3.40 116.94 117.79 1xat h PHE 91 Ca 0.63 0.00 -0.70 0.00 2.80 0.00 0.00 57.97 60.69 1xat h PHE 91 Cb 2.18 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 40.30 1xat h PHE 91 CO -0.00 0.00 3.22 -1.33 -0.60 0.00 0.00 178.31 179.60 1xat n MET 92 N -2.28 3.18 0.00 1.51 0.00 0.12 -4.85 117.12 114.80 1xat n MET 92 Ca 0.03 -2.59 0.00 0.00 0.00 0.00 0.00 57.70 55.13 1xat n MET 92 Cb 0.47 -3.12 0.00 0.00 0.00 0.00 0.00 33.22 30.57 1xat n MET 92 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1xat n HIS 93 N 5.16 0.00 -0.04 2.03 -0.00 -1.26 -3.20 115.22 117.91 1xat n HIS 93 Ca 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 58.29 1xat n HIS 93 Cb 0.34 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.99 30.11 1xat n HIS 93 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1xat n GLU 94 N -1.89 -0.04 -1.46 -0.41 0.00 -1.26 -3.99 120.64 111.59 1xat n GLU 94 Ca 0.00 0.27 -0.48 0.00 0.00 0.00 0.00 57.16 56.95 1xat n GLU 94 Cb 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 31.44 30.97 1xat n GLU 94 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1xat n GLU 95 N -3.06 0.99 0.18 3.44 4.07 -1.19 -4.79 120.64 120.28 1xat n GLU 95 Ca 0.00 0.24 0.03 0.00 -0.06 0.00 0.00 57.16 57.37 1xat n GLU 95 Cb 0.02 -2.50 0.36 0.00 -0.06 0.00 0.00 31.44 29.26 1xat n GLU 95 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1xat h PRO 96 N 13.22 0.00 -0.60 5.31 0.11 -1.88 -2.65 132.00 145.52 1xat h PRO 96 Ca -0.25 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.92 1xat h PRO 96 Cb 1.31 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.39 1xat h PRO 96 CO 1.07 0.39 0.40 0.00 -0.21 0.00 0.00 178.00 179.64 1xat h ALA 97 N 1.61 1.83 -0.13 -0.75 0.00 -1.90 -1.02 119.26 118.90 1xat h ALA 97 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xat h ALA 97 Cb 0.71 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xat h ALA 97 CO 0.05 0.07 0.00 1.19 0.00 0.00 0.00 179.25 180.57 1xat n PHE 98 N -4.48 0.43 -0.24 0.00 3.72 -1.00 -4.34 117.46 111.55 1xat n PHE 98 Ca 0.08 -0.15 -0.07 0.00 -0.05 0.00 0.00 57.45 57.26 1xat n PHE 98 Cb 0.24 -0.17 0.04 0.00 -0.94 0.00 0.00 39.48 38.66 1xat n PHE 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xat h ALA 99 N 2.55 0.89 0.00 4.37 0.00 -1.31 -3.04 119.26 122.73 1xat h ALA 99 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xat h ALA 99 Cb 0.75 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xat h ALA 99 CO 0.09 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1xat n GLY 100 N -0.79 -1.08 3.61 0.00 0.00 -1.26 -4.87 105.19 100.81 1xat n GLY 100 Ca 0.05 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 1xat n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xat n ALA 101 N -1.46 0.08 -2.52 4.61 0.00 -1.15 -4.98 120.51 115.10 1xat n ALA 101 Ca 0.05 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.58 1xat n ALA 101 Cb 0.20 -2.08 -0.04 0.00 0.00 0.00 0.00 19.45 17.52 1xat n ALA 101 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xat s VAL 102 N -0.88 5.03 -0.53 0.00 1.01 -1.26 -4.70 120.40 119.06 1xat s VAL 102 Ca 0.61 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.51 1xat s VAL 102 Cb -0.69 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.03 1xat s VAL 102 CO 0.59 -0.14 1.54 0.21 0.00 0.00 0.00 175.10 177.30 1xat s ASN 103 N -2.68 5.96 0.00 3.32 3.84 -1.26 -4.52 114.94 119.60 1xat s ASN 103 Ca 0.44 0.45 0.20 0.00 0.21 0.00 0.00 52.86 54.16 1xat s ASN 103 Cb -0.11 -2.54 1.22 0.00 -0.55 0.00 0.00 41.25 39.26 1xat s ASN 103 CO 0.25 -1.81 1.74 0.61 -2.79 0.00 0.00 177.10 175.10 1xat n GLY 104 N 5.35 -0.94 3.75 1.21 0.00 -1.26 -4.89 105.19 108.41 1xat n GLY 104 Ca 0.15 -0.13 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1xat n GLY 104 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xat s TYR 105 N -2.00 2.36 -0.18 1.61 5.04 -1.26 -4.38 117.35 118.54 1xat s TYR 105 Ca 0.31 1.47 -0.08 0.00 -2.44 0.00 0.00 57.07 56.33 1xat s TYR 105 Cb 0.14 -3.60 0.07 0.00 0.35 0.00 0.00 41.96 38.93 1xat s TYR 105 CO 0.24 -2.45 0.41 -0.65 -1.34 0.00 0.00 175.55 171.76 1xat s GLN 106 N -3.15 0.36 1.08 4.97 -0.21 -1.26 -4.91 119.66 116.54 1xat s GLN 106 Ca 0.75 0.88 -0.13 0.00 0.02 0.00 0.00 55.36 56.88 1xat s GLN 106 Cb -0.34 0.11 0.23 0.00 1.00 0.00 0.00 33.01 34.01 1xat s GLN 106 CO 0.38 -0.20 1.07 -1.25 -2.12 0.00 0.00 175.29 173.17 1xat s PRO 107 N 1.89 -0.19 0.00 2.91 0.04 -1.26 -3.26 135.00 135.13 1xat s PRO 107 Ca -0.06 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1xat s PRO 107 Cb -0.10 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1xat s PRO 107 CO -0.13 -3.16 0.05 0.00 0.04 0.00 0.00 177.00 173.80 1xat n ALA 108 N -4.48 1.07 0.00 8.56 0.00 -1.26 -4.85 120.51 119.54 1xat n ALA 108 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xat n ALA 108 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1xat n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xat n GLY 109 N 0.42 2.24 3.58 0.00 0.00 -1.26 -4.46 105.19 105.71 1xat n GLY 109 Ca 0.00 -1.72 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 1xat n GLY 109 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xat n ASP 110 N 0.00 0.35 -4.63 1.61 8.00 -1.26 -3.87 116.55 116.74 1xat n ASP 110 Ca 0.00 0.79 -0.38 0.00 0.71 0.00 0.00 54.79 55.91 1xat n ASP 110 Cb 0.00 -1.34 -0.09 0.00 -0.02 0.00 0.00 41.12 39.67 1xat n ASP 110 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xat s THR 111 N -1.56 5.26 -0.17 -3.53 2.01 -0.25 -4.61 115.64 112.79 1xat s THR 111 Ca 0.74 0.40 -0.00 0.00 0.31 0.00 0.00 61.69 63.14 1xat s THR 111 Cb -0.42 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1xat s THR 111 CO 0.49 0.26 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.76 1xat s LEU 112 N 1.53 2.45 -0.24 4.42 1.43 -0.97 -0.77 118.68 126.53 1xat s LEU 112 Ca 0.12 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.68 1xat s LEU 112 Cb -0.15 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.50 1xat s LEU 112 CO 0.08 0.05 -0.02 -0.63 0.23 0.00 0.00 176.35 176.06 1xat s ILE 113 N 1.01 3.47 0.30 -0.59 -1.09 0.55 -0.59 121.20 124.26 1xat s ILE 113 Ca -0.02 -0.57 -0.05 0.00 -2.23 0.00 0.00 60.65 57.79 1xat s ILE 113 Cb -0.15 -2.64 0.08 0.00 -1.58 0.00 0.00 42.46 38.17 1xat s ILE 113 CO -0.03 0.33 0.23 0.61 -1.23 0.00 0.00 174.94 174.85 1xat n GLY 114 N 4.80 -3.03 3.81 6.18 0.00 -0.03 0.43 105.19 117.35 1xat n GLY 114 Ca -0.17 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 1xat n GLY 114 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xat s HIS 115 N -1.37 3.14 -1.55 1.61 3.76 -1.26 -3.19 115.29 116.44 1xat s HIS 115 Ca 0.16 1.53 -0.10 0.00 -0.15 0.00 0.00 55.06 56.50 1xat s HIS 115 Cb -0.02 -2.95 0.08 0.00 1.11 0.00 0.00 32.58 30.80 1xat s HIS 115 CO 0.12 -0.75 0.64 -1.91 -0.85 0.00 0.00 174.74 172.00 1xat n GLU 116 N -1.50 -3.51 -3.34 1.40 2.13 0.07 -1.06 120.64 114.83 1xat n GLU 116 Ca 0.08 0.41 -0.39 0.00 0.66 0.00 0.00 57.16 57.93 1xat n GLU 116 Cb 0.53 -4.89 -0.07 0.00 0.27 0.00 0.00 31.44 27.28 1xat n GLU 116 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1xat s VAL 117 N -3.60 5.17 -0.42 6.31 1.01 -1.25 -2.99 120.40 124.63 1xat s VAL 117 Ca 0.39 0.78 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 1xat s VAL 117 Cb -0.21 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1xat s VAL 117 CO 0.90 0.22 0.32 0.86 0.00 0.00 0.00 175.10 177.40 1xat s TRP 118 N 1.46 3.24 -0.23 5.22 -0.00 -1.03 -2.80 118.94 124.80 1xat s TRP 118 Ca 0.21 -0.62 -0.09 0.00 -0.00 0.00 0.00 56.10 55.59 1xat s TRP 118 Cb -0.15 -2.69 -0.04 0.00 -0.00 0.00 0.00 33.47 30.59 1xat s TRP 118 CO 0.09 -0.62 0.11 0.42 -0.00 0.00 0.00 176.95 176.94 1xat s ILE 119 N 1.70 4.95 0.76 5.86 1.01 -0.65 -0.26 121.20 134.58 1xat s ILE 119 Ca 0.05 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 1xat s ILE 119 Cb -0.20 -3.29 0.05 0.00 0.01 0.00 0.00 42.46 39.03 1xat s ILE 119 CO 0.10 0.37 1.09 -0.83 0.00 0.00 0.00 174.94 175.67 1xat s GLY 120 N 1.05 1.74 0.42 6.18 0.00 0.88 -0.43 107.32 117.14 1xat s GLY 120 Ca 0.06 0.30 -0.27 0.00 0.00 0.00 0.00 44.72 44.81 1xat s GLY 120 CO 0.04 0.65 1.45 -0.37 0.00 0.00 0.00 173.10 174.87 1xat n THR 121 N -3.37 2.41 -1.40 0.90 5.66 -1.26 -2.20 114.28 115.02 1xat n THR 121 Ca 0.09 -0.50 -0.14 0.00 -3.05 0.00 0.00 64.05 60.45 1xat n THR 121 Cb 0.53 -1.90 -0.06 0.00 -1.55 0.00 0.00 70.33 67.35 1xat n THR 121 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1xat n GLU 122 N 0.11 -1.58 -2.31 1.09 1.02 0.12 -2.10 120.64 117.00 1xat n GLU 122 Ca 0.03 0.98 -0.40 0.00 -0.02 0.00 0.00 57.16 57.75 1xat n GLU 122 Cb 0.40 -5.34 -0.03 0.00 -0.02 0.00 0.00 31.44 26.45 1xat n GLU 122 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xat s ALA 123 N -2.20 3.41 -0.11 0.62 0.00 -0.93 -3.74 121.76 118.80 1xat s ALA 123 Ca 0.00 1.05 0.03 0.00 0.00 0.00 0.00 51.96 53.04 1xat s ALA 123 Cb 0.00 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1xat s ALA 123 CO 0.00 -0.40 -0.20 1.41 0.00 0.00 0.00 175.76 176.57 1xat s MET 124 N -1.70 2.69 -0.18 0.00 1.75 -0.23 -1.67 119.30 119.95 1xat s MET 124 Ca 0.48 -0.75 -0.07 0.00 -1.25 0.00 0.00 55.69 54.11 1xat s MET 124 Cb -0.35 -2.13 -0.04 0.00 2.84 0.00 0.00 34.83 35.16 1xat s MET 124 CO 0.45 0.06 0.04 -0.06 -0.65 0.00 0.00 175.02 174.87 1xat s PHE 125 N 0.63 3.19 0.76 4.11 0.40 -0.20 -1.27 117.98 125.61 1xat s PHE 125 Ca -0.13 -0.05 -0.12 0.00 -0.60 0.00 0.00 56.93 56.04 1xat s PHE 125 Cb -0.16 -2.07 0.05 0.00 0.51 0.00 0.00 43.02 41.34 1xat s PHE 125 CO 0.03 0.07 1.11 -1.64 0.70 0.00 0.00 175.22 175.49 1xat s MET 126 N 0.48 2.38 0.32 0.44 -1.94 -0.29 -1.41 119.30 119.29 1xat s MET 126 Ca 0.02 0.50 -0.29 0.00 -1.71 0.00 0.00 55.69 54.21 1xat s MET 126 Cb -0.13 -1.96 -0.12 0.00 2.01 0.00 0.00 34.83 34.62 1xat s MET 126 CO 0.01 -1.38 1.33 -2.30 -0.01 0.00 0.00 175.02 172.67 1xat n PRO 127 N -3.25 2.17 -0.96 2.03 -0.02 -1.17 -3.37 135.00 130.43 1xat n PRO 127 Ca 0.07 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1xat n PRO 127 Cb 0.57 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1xat n PRO 127 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xat n GLY 128 N 1.05 0.28 3.82 -1.23 0.00 -1.25 -5.00 105.19 102.85 1xat n GLY 128 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1xat n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xat s VAL 129 N -1.63 3.65 -0.21 1.61 -7.23 -1.22 -4.82 120.40 110.55 1xat s VAL 129 Ca 0.00 0.54 -0.03 0.00 -1.81 0.00 0.00 61.98 60.68 1xat s VAL 129 Cb 0.00 -3.32 0.07 0.00 0.56 0.00 0.00 36.38 33.69 1xat s VAL 129 CO 0.00 -0.70 0.06 -0.13 -0.31 0.00 0.00 175.10 174.02 1xat s ARG 130 N -5.12 0.50 -0.13 4.82 0.52 -1.26 -2.28 118.95 115.99 1xat s ARG 130 Ca 0.59 -0.45 -0.18 0.00 -0.52 0.00 0.00 55.73 55.17 1xat s ARG 130 Cb -0.14 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 1xat s ARG 130 CO 0.54 -0.73 0.47 0.08 0.02 0.00 0.00 175.30 175.68 1xat s VAL 131 N 1.91 5.18 0.59 3.52 1.01 0.25 -1.15 120.40 131.71 1xat s VAL 131 Ca 0.02 0.93 -0.09 0.00 0.00 0.00 0.00 61.98 62.84 1xat s VAL 131 Cb -0.17 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1xat s VAL 131 CO -0.13 0.31 0.96 -0.83 0.00 0.00 0.00 175.10 175.40 1xat s GLY 132 N 0.70 1.60 0.45 4.51 0.00 -0.04 -0.85 107.32 113.68 1xat s GLY 132 Ca 0.25 -0.31 -0.23 0.00 0.00 0.00 0.00 44.72 44.43 1xat s GLY 132 CO 0.10 -0.05 0.78 1.42 0.00 0.00 0.00 173.10 175.35 1xat n HIS 133 N -2.64 0.34 0.00 1.90 8.25 -1.26 -1.58 115.22 120.23 1xat n HIS 133 Ca 0.05 0.56 0.00 0.00 -0.26 0.00 0.00 57.72 58.06 1xat n HIS 133 Cb 0.55 -2.10 0.00 0.00 1.12 0.00 0.00 29.99 29.56 1xat n HIS 133 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xat n GLY 134 N 1.48 1.71 3.37 -1.41 0.00 -0.22 -0.21 105.19 109.90 1xat n GLY 134 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1xat n GLY 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xat n ALA 135 N 0.38 -2.13 -4.00 4.61 0.00 -0.61 -4.22 120.51 114.54 1xat n ALA 135 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.01 1xat n ALA 135 Cb 0.00 -1.65 -0.16 0.00 0.00 0.00 0.00 19.45 17.64 1xat n ALA 135 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xat s ILE 136 N -1.87 1.63 -0.28 0.00 1.01 0.80 -2.46 121.20 120.04 1xat s ILE 136 Ca 0.62 -0.95 -0.14 0.00 0.00 0.00 0.00 60.65 60.18 1xat s ILE 136 Cb -0.42 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 1xat s ILE 136 CO 0.61 0.21 0.32 -0.63 0.00 0.00 0.00 174.94 175.45 1xat s ILE 137 N 1.41 5.21 0.89 2.92 -1.09 0.65 -1.09 121.20 130.09 1xat s ILE 137 Ca -0.00 0.44 -0.11 0.00 -2.23 0.00 0.00 60.65 58.75 1xat s ILE 137 Cb -0.16 -3.66 0.12 0.00 -1.58 0.00 0.00 42.46 37.19 1xat s ILE 137 CO -0.09 0.17 1.10 -0.83 -1.23 0.00 0.00 174.94 174.06 1xat s GLY 138 N 1.68 1.65 0.65 6.18 0.00 -0.09 -0.09 107.32 117.30 1xat s GLY 138 Ca 0.13 0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.87 1xat s GLY 138 CO 0.10 0.63 1.14 -0.56 0.00 0.00 0.00 173.10 174.41 1xat s SER 139 N -3.16 5.02 0.00 1.64 0.01 -1.26 -2.37 113.70 113.58 1xat s SER 139 Ca 0.64 2.12 0.00 0.00 1.31 0.00 0.00 55.95 60.02 1xat s SER 139 Cb -0.19 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.47 1xat s SER 139 CO 0.58 -1.69 0.00 0.54 0.41 0.00 0.00 173.24 173.07 1xat n ARG 140 N -2.26 -0.47 -2.03 12.44 5.12 -0.89 -4.71 116.66 123.87 1xat n ARG 140 Ca 0.11 0.11 -0.42 0.00 -1.93 0.00 0.00 57.85 55.72 1xat n ARG 140 Cb 0.51 -4.34 -0.03 0.00 -1.16 0.00 0.00 32.46 27.44 1xat n ARG 140 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xat s ALA 141 N -0.91 3.70 -0.58 7.54 0.00 -1.00 -4.69 121.76 125.81 1xat s ALA 141 Ca 0.00 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 1xat s ALA 141 Cb 0.00 -3.59 0.15 0.00 0.00 0.00 0.00 23.12 19.68 1xat s ALA 141 CO 0.00 -0.71 0.49 -1.17 0.00 0.00 0.00 175.76 174.37 1xat s LEU 142 N 1.10 6.04 -0.33 0.00 2.96 -0.84 -1.07 118.68 126.55 1xat s LEU 142 Ca 0.68 -2.11 -0.29 0.00 -0.22 0.00 0.00 54.13 52.19 1xat s LEU 142 Cb -0.41 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.19 1xat s LEU 142 CO 0.31 -0.70 1.17 -0.69 -1.32 0.00 0.00 176.35 175.12 1xat s VAL 143 N 1.08 4.33 -1.13 1.68 1.01 -0.39 -1.26 120.40 125.72 1xat s VAL 143 Ca 0.08 1.51 0.10 0.00 0.00 0.00 0.00 61.98 63.67 1xat s VAL 143 Cb -0.24 -4.34 0.16 0.00 0.00 0.00 0.00 36.38 31.97 1xat s VAL 143 CO -0.01 -0.53 0.99 0.35 0.00 0.00 0.00 175.10 175.89 1xat n THR 144 N 6.10 0.39 -3.85 3.92 -2.24 -1.26 -1.13 114.28 116.21 1xat n THR 144 Ca 0.13 -0.70 -0.09 0.00 -2.27 0.00 0.00 64.05 61.12 1xat n THR 144 Cb 0.47 0.93 0.01 0.00 -2.10 0.00 0.00 70.33 69.64 1xat n THR 144 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xat s GLY 145 N -0.92 0.37 0.49 3.38 0.00 -1.26 -4.96 107.32 104.42 1xat s GLY 145 Ca 0.16 -0.72 -0.24 0.00 0.00 0.00 0.00 44.72 43.92 1xat s GLY 145 CO 0.14 -0.33 1.40 0.99 0.00 0.00 0.00 173.10 175.30 1xat s ASP 146 N -3.05 5.64 -0.04 1.64 1.01 -1.26 -4.53 116.67 116.08 1xat s ASP 146 Ca 0.16 2.86 0.06 0.00 0.71 0.00 0.00 52.55 56.34 1xat s ASP 146 Cb -0.05 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.22 1xat s ASP 146 CO 0.11 -1.33 -0.23 -0.69 0.21 0.00 0.00 175.17 173.24 1xat s VAL 147 N -1.24 2.24 0.40 -1.27 1.01 -0.30 -4.94 120.40 116.30 1xat s VAL 147 Ca 0.65 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 1xat s VAL 147 Cb -0.42 -1.81 -0.08 0.00 0.00 0.00 0.00 36.38 34.07 1xat s VAL 147 CO 0.53 0.58 0.82 -1.61 0.00 0.00 0.00 175.10 175.41 1xat s GLU 148 N -0.46 3.91 0.19 2.72 2.02 -1.26 -0.86 118.70 124.96 1xat s GLU 148 Ca 0.05 0.67 -0.33 0.00 0.02 0.00 0.00 54.97 55.39 1xat s GLU 148 Cb -0.11 -2.34 -0.15 0.00 0.10 0.00 0.00 34.13 31.63 1xat s GLU 148 CO 0.01 -0.03 1.34 -2.30 0.02 0.00 0.00 175.26 174.31 1xat n PRO 149 N -1.03 1.65 -1.29 0.39 -0.02 -1.26 -1.13 135.00 132.31 1xat n PRO 149 Ca 0.04 0.59 -0.10 0.00 -2.02 0.00 0.00 63.50 62.01 1xat n PRO 149 Cb 0.54 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 1xat n PRO 149 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1xat n TYR 150 N 2.08 0.00 -3.13 6.00 4.02 0.70 -4.80 117.16 122.03 1xat n TYR 150 Ca 0.14 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.66 1xat n TYR 150 Cb 0.27 -2.15 -0.06 0.00 -0.02 0.00 0.00 39.34 37.38 1xat n TYR 150 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xat s ALA 151 N -2.21 3.47 -0.39 -0.72 0.00 -0.28 0.25 121.76 121.88 1xat s ALA 151 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 51.96 52.03 1xat s ALA 151 Cb 0.00 -2.79 0.05 0.00 0.00 0.00 0.00 23.12 20.38 1xat s ALA 151 CO 0.00 0.34 0.22 0.42 0.00 0.00 0.00 175.76 176.74 1xat s ILE 152 N -1.34 4.34 0.37 0.00 1.01 0.84 -0.14 121.20 126.28 1xat s ILE 152 Ca 0.38 -1.11 0.08 0.00 0.00 0.00 0.00 60.65 60.00 1xat s ILE 152 Cb -0.19 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.71 1xat s ILE 152 CO 0.22 -0.34 0.13 0.68 0.00 0.00 0.00 174.94 175.63 1xat s VAL 153 N 1.49 2.66 0.00 2.92 -7.23 -0.25 0.58 120.40 120.57 1xat s VAL 153 Ca 0.02 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1xat s VAL 153 Cb -0.21 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 33.79 1xat s VAL 153 CO 0.04 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 1xat n GLY 154 N -1.14 1.29 0.00 2.32 0.00 -1.19 -0.91 105.19 105.56 1xat n GLY 154 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1xat n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xat n GLY 155 N -0.14 2.80 2.97 -0.02 0.00 -1.26 -2.63 105.19 106.91 1xat n GLY 155 Ca 0.00 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.70 1xat n GLY 155 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xat s ASN 156 N 0.00 4.59 0.54 1.61 3.84 -1.26 0.77 114.94 125.02 1xat s ASN 156 Ca 0.00 -2.27 -0.18 0.00 0.21 0.00 0.00 52.86 50.62 1xat s ASN 156 Cb 0.00 -1.54 -0.06 0.00 -0.55 0.00 0.00 41.25 39.10 1xat s ASN 156 CO 0.00 -0.35 1.04 -2.84 -2.79 0.00 0.00 177.10 172.15 1xat s PRO 157 N 0.75 3.61 0.23 0.43 0.02 -1.26 -5.03 135.00 133.74 1xat s PRO 157 Ca 0.12 1.24 -0.30 0.00 0.02 0.00 0.00 61.00 62.08 1xat s PRO 157 Cb -0.20 -2.07 -0.10 0.00 0.02 0.00 0.00 34.50 32.15 1xat s PRO 157 CO -0.08 -0.58 1.38 0.00 -0.33 0.00 0.00 177.00 177.39 1xat s ALA 158 N -2.27 3.58 -0.01 -1.55 0.00 0.23 -4.89 121.76 116.84 1xat s ALA 158 Ca 0.64 1.23 -0.01 0.00 0.00 0.00 0.00 51.96 53.83 1xat s ALA 158 Cb -0.15 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.46 1xat s ALA 158 CO 0.29 -0.65 0.03 -0.98 0.00 0.00 0.00 175.76 174.44 1xat s ARG 159 N -0.30 0.01 0.17 0.00 1.04 -1.08 -4.80 118.95 113.99 1xat s ARG 159 Ca 0.58 0.08 -0.33 0.00 -1.04 0.00 0.00 55.73 55.01 1xat s ARG 159 Cb -0.39 -0.06 -0.15 0.00 -2.04 0.00 0.00 34.95 32.31 1xat s ARG 159 CO 0.41 -0.05 1.33 2.41 -0.04 0.00 0.00 175.30 179.37 1xat n THR 160 N 3.38 0.56 -0.04 4.99 -1.04 -1.26 -3.19 114.28 117.68 1xat n THR 160 Ca -0.16 -0.14 0.01 0.00 -2.04 0.00 0.00 64.05 61.71 1xat n THR 160 Cb 0.57 -1.12 -0.14 0.00 -1.82 0.00 0.00 70.33 67.83 1xat n THR 160 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1xat n ILE 161 N 2.14 0.54 0.00 12.58 5.41 0.20 -4.96 119.36 135.27 1xat n ILE 161 Ca 0.15 -0.55 0.00 0.00 1.00 0.00 0.00 62.75 63.35 1xat n ILE 161 Cb 0.26 -0.22 0.00 0.00 -0.71 0.00 0.00 39.64 38.97 1xat n ILE 161 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1xat n ARG 162 N -2.36 0.00 -3.98 0.38 1.85 -1.23 -5.00 116.66 106.32 1xat n ARG 162 Ca -0.15 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.41 1xat n ARG 162 Cb 0.74 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 32.10 1xat n ARG 162 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1xat s LYS 163 N -2.00 3.21 0.24 2.89 1.02 -1.26 -0.12 119.74 123.72 1xat s LYS 163 Ca 0.00 -0.59 -0.06 0.00 0.02 0.00 0.00 55.97 55.35 1xat s LYS 163 Cb 0.00 -2.89 0.25 0.00 -0.52 0.00 0.00 37.83 34.67 1xat s LYS 163 CO 0.00 0.57 1.82 0.00 -0.92 0.00 0.00 175.35 176.82 1xat h ARG 164 N 2.94 1.12 -5.00 1.68 3.08 -0.55 -3.46 114.38 114.19 1xat h ARG 164 Ca -0.46 -0.18 -0.54 0.00 0.07 0.00 0.00 59.98 58.86 1xat h ARG 164 Cb 1.17 -0.19 -0.13 0.00 0.08 0.00 0.00 29.97 30.90 1xat h ARG 164 CO 0.70 0.89 -0.50 -0.06 -1.07 0.00 0.00 179.97 179.93 1xat s PHE 165 N -5.56 1.77 1.09 3.04 0.08 -1.26 -5.13 117.98 112.01 1xat s PHE 165 Ca -0.12 -1.39 -0.13 0.00 0.12 0.00 0.00 56.93 55.42 1xat s PHE 165 Cb 0.16 -1.05 0.24 0.00 -0.57 0.00 0.00 43.02 41.80 1xat s PHE 165 CO 0.83 -0.44 1.06 -1.54 -0.10 0.00 0.00 175.22 175.02 1xat s SER 166 N -3.56 1.76 0.15 1.36 1.04 -1.26 -4.73 113.70 108.46 1xat s SER 166 Ca 0.27 1.35 -0.11 0.00 0.48 0.00 0.00 55.95 57.94 1xat s SER 166 Cb 0.02 -2.08 -0.02 0.00 0.10 0.00 0.00 66.02 64.04 1xat s SER 166 CO 0.17 -3.69 1.51 0.44 0.98 0.00 0.00 173.24 172.65 1xat h ASP 167 N -2.27 1.00 0.31 7.02 5.19 -2.00 0.46 116.42 126.13 1xat h ASP 167 Ca -0.58 -0.43 -0.02 0.00 -0.62 0.00 0.00 57.03 55.38 1xat h ASP 167 Cb 1.33 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.57 1xat h ASP 167 CO 0.54 1.21 -0.15 1.23 -3.12 0.00 0.00 179.24 178.95 1xat h GLY 168 N 0.79 -0.43 -0.57 2.75 0.00 -1.99 0.77 103.07 104.38 1xat h GLY 168 Ca 0.09 0.16 0.09 0.00 0.00 0.00 0.00 47.33 47.67 1xat h GLY 168 CO 0.08 -0.16 -0.44 -0.55 0.00 0.00 0.00 176.54 175.47 1xat h ASP 169 N -0.62 -1.53 -0.00 0.19 3.32 -1.89 0.51 116.42 116.41 1xat h ASP 169 Ca -0.04 0.26 0.03 0.00 0.02 0.00 0.00 57.03 57.29 1xat h ASP 169 Cb 0.44 0.70 -0.06 0.00 0.22 0.00 0.00 39.33 40.64 1xat h ASP 169 CO 0.07 -0.32 -0.43 0.40 -1.72 0.00 0.00 179.24 177.24 1xat h ILE 170 N -0.19 0.14 -0.99 0.35 2.04 -0.73 -0.69 117.51 117.44 1xat h ILE 170 Ca 0.19 0.00 0.27 0.00 1.00 0.00 0.00 64.86 66.33 1xat h ILE 170 Cb 0.56 0.14 -0.13 0.00 -0.74 0.00 0.00 36.82 36.64 1xat h ILE 170 CO -0.73 0.00 0.56 1.56 0.00 0.00 0.00 178.15 179.54 1xat h GLN 171 N -0.58 0.44 -0.14 2.37 4.20 0.12 0.17 115.11 121.69 1xat h GLN 171 Ca 0.04 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1xat h GLN 171 Cb 0.66 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.33 1xat h GLN 171 CO -0.32 0.29 -0.07 -0.91 -0.67 0.00 0.00 178.83 177.15 1xat h ASN 172 N 0.45 0.31 -0.52 1.46 2.35 0.03 -2.45 115.58 117.21 1xat h ASN 172 Ca 0.67 -0.41 0.05 0.00 -0.55 0.00 0.00 56.30 56.06 1xat h ASN 172 Cb 1.39 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 39.63 1xat h ASN 172 CO -0.54 0.65 0.25 -0.07 -1.65 0.00 0.00 177.43 176.07 1xat h LEU 173 N -0.04 0.34 -1.72 1.61 3.38 0.52 -0.57 115.31 118.83 1xat h LEU 173 Ca 0.03 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1xat h LEU 173 Cb 0.53 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1xat h LEU 173 CO 0.02 0.23 -0.07 -0.07 0.09 0.00 0.00 178.44 178.64 1xat h LEU 174 N 0.48 0.08 0.07 1.67 3.38 -0.72 -1.79 115.31 118.48 1xat h LEU 174 Ca 0.23 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.91 1xat h LEU 174 Cb 0.17 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 40.92 1xat h LEU 174 CO -0.18 0.17 -1.18 -0.33 0.09 0.00 0.00 178.44 177.01 1xat h GLU 175 N 0.09 0.60 0.00 1.13 5.08 -0.65 -3.31 114.58 117.52 1xat h GLU 175 Ca 0.02 -0.76 0.00 0.00 -1.00 0.00 0.00 59.36 57.62 1xat h GLU 175 Cb 0.18 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1xat h GLU 175 CO 0.01 1.33 -0.41 0.00 -1.00 0.00 0.00 179.01 178.95 1xat h MET 176 N 0.28 0.00 -6.45 2.33 -0.00 -1.09 -3.48 114.93 106.52 1xat h MET 176 Ca -0.16 0.00 -0.35 0.00 -0.00 0.00 0.00 59.70 59.18 1xat h MET 176 Cb 1.85 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.44 1xat h MET 176 CO 0.22 0.00 -0.72 0.00 -0.00 0.00 0.00 176.91 176.41 1xat n ALA 177 N -1.95 -2.17 0.26 -3.00 0.00 -0.69 -4.79 120.51 108.17 1xat n ALA 177 Ca 0.03 -0.25 0.17 0.00 0.00 0.00 0.00 53.44 53.40 1xat n ALA 177 Cb 0.48 -0.80 0.91 0.00 0.00 0.00 0.00 19.45 20.04 1xat n ALA 177 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1xat h TRP 178 N -0.11 0.00 0.00 0.00 5.08 -1.94 -0.79 115.95 118.20 1xat h TRP 178 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.53 1xat h TRP 178 Cb 0.93 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.09 1xat h TRP 178 CO 0.18 0.00 0.00 -2.67 -1.28 0.00 0.00 178.44 174.67 1xat n TRP 179 N -3.67 0.00 0.45 0.12 2.14 -1.26 -0.97 117.44 114.25 1xat n TRP 179 Ca -0.01 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.61 1xat n TRP 179 Cb 0.21 -0.34 0.03 0.00 -0.81 0.00 0.00 31.31 30.40 1xat n TRP 179 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1xat n ASP 180 N -1.34 1.66 -4.77 -0.67 8.00 -0.30 -4.94 116.55 114.19 1xat n ASP 180 Ca 0.05 -1.33 -0.40 0.00 0.71 0.00 0.00 54.79 53.82 1xat n ASP 180 Cb 0.11 0.16 -0.00 0.00 -0.02 0.00 0.00 41.12 41.37 1xat n ASP 180 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1xat s TRP 181 N -1.06 2.76 0.41 1.24 0.51 -0.15 -4.95 118.94 117.71 1xat s TRP 181 Ca 0.11 1.35 -0.27 0.00 -2.12 0.00 0.00 56.10 55.18 1xat s TRP 181 Cb 0.09 -3.76 -0.10 0.00 -0.81 0.00 0.00 33.47 28.89 1xat s TRP 181 CO 0.18 -2.32 1.46 -2.14 -0.51 0.00 0.00 176.95 173.62 1xat s PRO 182 N -2.19 3.91 0.30 4.98 0.02 -1.26 -4.74 135.00 136.02 1xat s PRO 182 Ca 0.56 2.51 0.05 0.00 0.02 0.00 0.00 61.00 64.15 1xat s PRO 182 Cb -0.40 -2.83 0.80 0.00 0.02 0.00 0.00 34.50 32.09 1xat s PRO 182 CO 0.53 -0.67 1.66 1.25 -0.33 0.00 0.00 177.00 179.44 1xat h LEU 183 N 2.69 0.21 -1.33 -5.54 5.85 -1.97 -0.41 115.31 114.81 1xat h LEU 183 Ca -0.51 0.18 0.17 0.00 0.84 0.00 0.00 57.88 58.57 1xat h LEU 183 Cb 1.25 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.41 1xat h LEU 183 CO 0.63 -0.11 0.59 0.00 -0.34 0.00 0.00 178.44 179.21 1xat h ALA 184 N 1.78 1.95 0.05 1.25 0.00 -1.99 0.72 119.26 123.02 1xat h ALA 184 Ca 0.60 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 55.30 1xat h ALA 184 Cb 1.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1xat h ALA 184 CO -0.61 -0.22 -1.07 -0.44 0.00 0.00 0.00 179.25 176.91 1xat h ASP 185 N 0.60 0.25 -0.47 0.00 5.19 -1.43 -1.51 116.42 119.04 1xat h ASP 185 Ca 0.47 -0.25 -0.06 0.00 -0.62 0.00 0.00 57.03 56.57 1xat h ASP 185 Cb 0.91 -0.08 -0.02 0.00 0.18 0.00 0.00 39.33 40.32 1xat h ASP 185 CO -0.22 1.15 0.06 0.40 -3.12 0.00 0.00 179.24 177.51 1xat h ILE 186 N 0.06 1.25 -0.50 0.35 2.04 -0.63 0.97 117.51 121.06 1xat h ILE 186 Ca -0.07 -0.95 -0.11 0.00 1.00 0.00 0.00 64.86 64.72 1xat h ILE 186 Cb 1.78 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.79 1xat h ILE 186 CO 0.16 0.34 -0.12 -0.08 0.00 0.00 0.00 178.15 178.44 1xat h GLU 187 N 0.66 0.95 0.49 2.37 4.81 -0.97 -0.78 114.58 122.12 1xat h GLU 187 Ca 0.14 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1xat h GLU 187 Cb 0.42 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1xat h GLU 187 CO 0.01 1.01 -0.38 0.00 -0.73 0.00 0.00 179.01 178.93 1xat h ALA 188 N 1.01 -0.89 0.00 2.92 0.00 -0.83 -2.39 119.26 119.07 1xat h ALA 188 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xat h ALA 188 Cb 0.67 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xat h ALA 188 CO 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 179.25 178.27 1xat n ALA 189 N -2.64 2.55 -0.32 0.00 0.00 0.30 -4.27 120.51 116.13 1xat n ALA 189 Ca -0.11 -0.18 0.01 0.00 0.00 0.00 0.00 53.44 53.16 1xat n ALA 189 Cb 0.39 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 18.46 1xat n ALA 189 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1xat h MET 190 N 0.00 -0.02 -0.82 0.00 -1.53 -0.59 0.31 114.93 112.27 1xat h MET 190 Ca 0.00 0.00 0.23 0.00 -3.44 0.00 0.00 59.70 56.49 1xat h MET 190 Cb 0.01 0.01 -0.04 0.00 -0.55 0.00 0.00 31.60 31.02 1xat h MET 190 CO 0.00 -0.02 0.58 -1.35 0.14 0.00 0.00 176.91 176.27 1xat h PRO 191 N -0.02 0.06 0.00 0.39 0.11 -1.80 -0.05 132.00 130.69 1xat h PRO 191 Ca 0.38 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1xat h PRO 191 Cb 0.62 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.72 1xat h PRO 191 CO -0.90 0.04 -1.05 1.28 -0.21 0.00 0.00 178.00 177.16 1xat n LEU 192 N -4.33 0.72 0.00 2.35 4.77 1.00 -3.62 117.00 117.89 1xat n LEU 192 Ca 0.17 0.24 0.11 0.00 -0.03 0.00 0.00 56.01 56.50 1xat n LEU 192 Cb 0.85 -0.07 0.54 0.00 -2.33 0.00 0.00 43.42 42.41 1xat n LEU 192 CO 0.37 -0.12 0.87 0.18 -1.33 0.00 0.00 177.39 177.36 1xat n LEU 193 N -2.48 0.00 -1.88 2.23 4.77 -0.04 -2.88 117.00 116.71 1xat n LEU 193 Ca 0.00 0.38 -0.20 0.00 -0.03 0.00 0.00 56.01 56.16 1xat n LEU 193 Cb 0.52 -0.38 0.15 0.00 -2.33 0.00 0.00 43.42 41.38 1xat n LEU 193 CO 0.40 -0.08 1.01 0.00 -1.33 0.00 0.00 177.39 177.39 1xat n THR 195 N -1.05 0.00 -0.78 0.00 -2.24 -1.14 -5.04 114.28 104.03 1xat n THR 195 Ca 0.50 -2.18 0.08 0.00 -2.27 0.00 0.00 64.05 60.18 1xat n THR 195 Cb 1.16 1.16 0.23 0.00 -2.10 0.00 0.00 70.33 70.78 1xat n THR 195 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xat n GLY 196 N -0.60 3.71 2.33 3.38 0.00 -1.26 -4.82 105.19 107.92 1xat n GLY 196 Ca 0.05 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 1xat n GLY 196 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xat n ASP 197 N -0.25 8.15 -0.34 1.61 -0.08 -1.26 -4.77 116.55 119.61 1xat n ASP 197 Ca 0.19 -2.72 -0.00 0.00 -1.51 0.00 0.00 54.79 50.74 1xat n ASP 197 Cb 0.77 -1.48 0.05 0.00 2.34 0.00 0.00 41.12 42.80 1xat n ASP 197 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1xat h ILE 198 N 2.76 0.05 -0.93 5.18 1.08 -1.92 0.35 117.51 124.08 1xat h ILE 198 Ca 0.75 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 65.35 1xat h ILE 198 Cb 0.43 0.05 -0.09 0.00 -3.07 0.00 0.00 36.82 34.15 1xat h ILE 198 CO 1.51 0.00 0.55 -0.65 -0.69 0.00 0.00 178.15 178.87 1xat h PRO 199 N -0.03 0.80 0.51 2.37 0.11 -1.95 0.28 132.00 134.09 1xat h PRO 199 Ca 0.35 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.39 1xat h PRO 199 Cb 0.61 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1xat h PRO 199 CO -0.92 0.53 -0.24 0.00 -0.21 0.00 0.00 178.00 177.15 1xat h ALA 200 N 1.55 -0.68 -0.64 -0.75 0.00 -0.77 -2.52 119.26 115.45 1xat h ALA 200 Ca 0.48 -0.18 0.13 0.00 0.00 0.00 0.00 54.91 55.35 1xat h ALA 200 Cb 0.58 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 1xat h ALA 200 CO -0.31 -0.82 -0.14 1.25 0.00 0.00 0.00 179.25 179.23 1xat h LEU 201 N -0.81 -0.57 -1.33 0.00 5.85 -0.15 0.11 115.31 118.41 1xat h LEU 201 Ca -0.07 0.19 0.17 0.00 0.84 0.00 0.00 57.88 59.01 1xat h LEU 201 Cb 0.58 0.39 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 1xat h LEU 201 CO 0.11 -0.20 0.59 0.22 -0.34 0.00 0.00 178.44 178.82 1xat h TYR 202 N 0.01 0.75 0.05 1.25 3.20 -0.30 0.93 116.97 122.85 1xat h TYR 202 Ca 0.31 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.20 1xat h TYR 202 Cb 0.48 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1xat h TYR 202 CO -0.51 0.23 -0.02 1.96 -1.64 0.00 0.00 178.16 178.18 1xat h GLN 203 N 0.59 -0.06 -0.95 1.82 1.08 -0.40 -0.96 115.11 116.22 1xat h GLN 203 Ca 0.48 0.00 0.26 0.00 -1.45 0.00 0.00 58.65 57.94 1xat h GLN 203 Cb 0.93 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.32 1xat h GLN 203 CO -0.22 0.54 0.66 1.25 -0.95 0.00 0.00 178.83 180.10 1xat h HIS 204 N -0.74 0.20 0.11 2.96 -0.00 -0.42 0.77 115.15 118.03 1xat h HIS 204 Ca -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1xat h HIS 204 Cb 0.63 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.98 1xat h HIS 204 CO 0.14 0.04 -0.05 2.35 -0.00 0.00 0.00 177.93 180.41 1xat h TRP 205 N 0.14 -0.13 -1.00 5.26 7.01 -0.70 -2.77 115.95 123.76 1xat h TRP 205 Ca 0.47 -0.00 0.41 0.00 2.11 0.00 0.00 58.89 61.88 1xat h TRP 205 Cb 1.63 0.04 -0.18 0.00 -2.10 0.00 0.00 29.16 28.56 1xat h TRP 205 CO -0.00 -0.08 0.53 0.87 -2.79 0.00 0.00 178.44 176.96 1xat h LYS 206 N -0.33 0.01 0.71 2.65 1.79 -0.11 -0.15 116.57 121.14 1xat h LYS 206 Ca -0.01 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 1xat h LYS 206 Cb 0.11 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1xat h LYS 206 CO 0.02 0.01 -0.34 0.37 -1.08 0.00 0.00 179.45 178.43 1xat h GLN 207 N 0.01 -0.91 -1.00 3.15 5.75 -0.96 -3.11 115.11 118.02 1xat h GLN 207 Ca 0.84 0.06 0.21 0.00 -0.15 0.00 0.00 58.65 59.61 1xat h GLN 207 Cb 2.20 0.21 -0.11 0.00 1.07 0.00 0.00 27.48 30.85 1xat h GLN 207 CO -0.77 -0.61 0.61 -0.09 -2.65 0.00 0.00 178.83 175.32 1xat h ARG 208 N -1.16 0.68 -0.33 1.69 2.43 -0.78 0.43 114.38 117.35 1xat h ARG 208 Ca -0.10 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.13 1xat h ARG 208 Cb 0.73 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1xat h ARG 208 CO 0.16 0.45 0.50 1.96 -1.51 0.00 0.00 179.97 181.53 1xat h GLN 209 N 0.71 0.00 -0.03 0.20 4.20 -1.09 -3.52 115.11 115.58 1xat h GLN 209 Ca 0.60 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.31 1xat h GLN 209 Cb 1.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1xat h GLN 209 CO -0.41 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.75