#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggx s ILE 8 N 0.00 4.72 0.83 2.52 1.01 -1.26 -4.99 121.20 124.03 1ggx s ILE 8 Ca 0.00 -1.35 -0.12 0.00 0.00 0.00 0.00 60.65 59.18 1ggx s ILE 8 Cb 0.00 -3.91 0.09 0.00 0.01 0.00 0.00 42.46 38.65 1ggx s ILE 8 CO 0.00 -0.62 1.10 -0.54 0.00 0.00 0.00 174.94 174.88 1ggx s LYS 9 N 1.52 1.81 0.54 2.79 -0.14 -1.26 -4.93 119.74 120.06 1ggx s LYS 9 Ca 0.04 0.64 0.31 0.00 -1.36 0.00 0.00 55.97 55.60 1ggx s LYS 9 Cb -0.25 -1.89 1.47 0.00 -1.68 0.00 0.00 37.83 35.49 1ggx s LYS 9 CO 0.03 -1.81 2.05 0.93 -0.76 0.00 0.00 175.35 175.79 1ggx h GLU 10 N -1.23 0.00 -4.62 1.68 5.08 -1.97 -3.39 114.58 110.13 1ggx h GLU 10 Ca -0.48 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.31 1ggx h GLU 10 Cb 1.28 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.18 1ggx h GLU 10 CO 0.59 0.09 -0.83 0.12 -1.00 0.00 0.00 179.01 177.98 1ggx s PHE 11 N -3.96 1.88 0.01 4.33 5.36 -1.26 -3.85 117.98 120.49 1ggx s PHE 11 Ca -0.02 -0.92 0.01 0.00 -0.96 0.00 0.00 56.93 55.05 1ggx s PHE 11 Cb 0.12 -1.40 -0.01 0.00 -0.34 0.00 0.00 43.02 41.39 1ggx s PHE 11 CO 0.56 -0.51 -0.04 -1.64 -1.46 0.00 0.00 175.22 172.13 1ggx s MET 12 N 1.19 0.35 0.34 10.12 -1.94 -0.77 -5.01 119.30 123.58 1ggx s MET 12 Ca -0.03 -0.28 0.08 0.00 -1.71 0.00 0.00 55.69 53.75 1ggx s MET 12 Cb -0.14 -0.27 -0.04 0.00 2.01 0.00 0.00 34.83 36.39 1ggx s MET 12 CO -0.04 0.07 0.21 1.03 -0.01 0.00 0.00 175.02 176.27 1ggx s ARG 13 N -0.46 2.53 0.03 2.03 0.52 -1.26 -1.07 118.95 121.27 1ggx s ARG 13 Ca -0.02 -1.43 -0.16 0.00 -0.52 0.00 0.00 55.73 53.60 1ggx s ARG 13 Cb -0.04 -2.31 0.03 0.00 0.52 0.00 0.00 34.95 33.15 1ggx s ARG 13 CO -0.00 0.11 0.35 -0.59 0.02 0.00 0.00 175.30 175.19 1ggx s PHE 14 N -2.37 -0.19 -0.02 -0.53 -0.12 -0.62 -1.66 117.98 112.48 1ggx s PHE 14 Ca 0.39 0.15 0.07 0.00 -0.05 0.00 0.00 56.93 57.49 1ggx s PHE 14 Cb -0.04 0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.47 1ggx s PHE 14 CO 0.24 -0.50 -0.23 0.15 -0.05 0.00 0.00 175.22 174.83 1ggx s LYS 15 N -2.21 2.16 0.01 1.99 1.02 -0.13 -0.11 119.74 122.47 1ggx s LYS 15 Ca -0.07 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.03 1ggx s LYS 15 Cb -0.02 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.17 1ggx s LYS 15 CO -0.01 0.57 -0.03 0.54 -0.92 0.00 0.00 175.35 175.50 1ggx s VAL 16 N -0.67 0.17 -0.02 3.17 0.11 -0.48 -0.04 120.40 122.63 1ggx s VAL 16 Ca 0.11 -0.53 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 1ggx s VAL 16 Cb -0.10 -0.23 0.02 0.00 -1.53 0.00 0.00 36.38 34.54 1ggx s VAL 16 CO -0.00 -0.23 0.01 -0.60 -3.33 0.00 0.00 175.10 170.95 1ggx s ARG 17 N -0.80 0.15 -0.04 1.54 3.52 -0.54 -0.20 118.95 122.57 1ggx s ARG 17 Ca -0.07 0.10 0.05 0.00 -0.13 0.00 0.00 55.73 55.68 1ggx s ARG 17 Cb -0.05 -0.34 -0.01 0.00 -1.56 0.00 0.00 34.95 32.99 1ggx s ARG 17 CO -0.00 -0.12 -0.21 1.41 -0.81 0.00 0.00 175.30 175.57 1ggx s MET 18 N 0.87 2.07 -0.20 5.12 -2.45 0.76 -0.83 119.30 124.64 1ggx s MET 18 Ca -0.08 -0.76 -0.00 0.00 -1.25 0.00 0.00 55.69 53.60 1ggx s MET 18 Cb -0.11 -1.81 0.01 0.00 1.25 0.00 0.00 34.83 34.17 1ggx s MET 18 CO -0.02 0.34 -0.15 -1.21 1.05 0.00 0.00 175.02 175.03 1ggx s GLU 19 N -0.15 3.05 0.28 4.11 2.02 -0.10 -1.55 118.70 126.36 1ggx s GLU 19 Ca -0.01 -0.81 -0.04 0.00 0.02 0.00 0.00 54.97 54.13 1ggx s GLU 19 Cb -0.12 -2.72 -0.01 0.00 0.10 0.00 0.00 34.13 31.38 1ggx s GLU 19 CO 0.02 -0.23 0.37 0.20 0.02 0.00 0.00 175.26 175.64 1ggx s GLY 20 N 1.33 1.31 -0.08 -1.39 0.00 -0.72 -1.02 107.32 106.75 1ggx s GLY 20 Ca 0.04 -1.45 -0.10 0.00 0.00 0.00 0.00 44.72 43.21 1ggx s GLY 20 CO -0.10 -1.05 0.28 -0.51 0.00 0.00 0.00 173.10 171.73 1ggx s THR 21 N -3.62 0.02 -0.05 0.90 -4.23 -0.61 -1.46 115.64 106.59 1ggx s THR 21 Ca 0.31 -0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 60.68 1ggx s THR 21 Cb 0.02 -0.44 0.03 0.00 1.34 0.00 0.00 72.50 73.45 1ggx s THR 21 CO 0.16 -0.07 0.04 -0.69 -0.54 0.00 0.00 174.62 173.52 1ggx s VAL 22 N -0.20 0.06 -1.57 2.29 1.01 -0.42 -0.52 120.40 121.03 1ggx s VAL 22 Ca -0.03 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 1ggx s VAL 22 Cb -0.03 -0.28 0.09 0.00 0.00 0.00 0.00 36.38 36.16 1ggx s VAL 22 CO 0.01 0.21 0.70 0.59 0.00 0.00 0.00 175.10 176.61 1ggx n ASN 23 N 5.23 -2.55 0.00 3.32 4.13 -0.66 -0.80 115.26 123.93 1ggx n ASN 23 Ca -0.05 -0.97 0.00 0.00 1.68 0.00 0.00 54.58 55.25 1ggx n ASN 23 Cb 0.50 -3.07 0.00 0.00 -1.54 0.00 0.00 39.78 35.67 1ggx n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1ggx n GLY 24 N -1.64 1.22 3.61 7.41 0.00 -1.26 -5.02 105.19 109.50 1ggx n GLY 24 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1ggx n GLY 24 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ggx s HIS 25 N -3.45 3.25 0.10 1.61 5.04 0.02 -5.08 115.29 116.79 1ggx s HIS 25 Ca 0.00 0.24 -0.12 0.00 -1.54 0.00 0.00 55.06 53.65 1ggx s HIS 25 Cb 0.00 -2.43 -0.06 0.00 0.04 0.00 0.00 32.58 30.13 1ggx s HIS 25 CO 0.00 -0.14 0.46 -1.21 -2.34 0.00 0.00 174.74 171.50 1ggx s GLU 26 N 1.74 3.84 0.15 2.88 2.02 -1.26 -1.31 118.70 126.77 1ggx s GLU 26 Ca 0.10 0.29 -0.18 0.00 0.02 0.00 0.00 54.97 55.20 1ggx s GLU 26 Cb -0.16 -2.97 0.04 0.00 0.10 0.00 0.00 34.13 31.15 1ggx s GLU 26 CO 0.10 0.53 0.49 -0.59 0.02 0.00 0.00 175.26 175.80 1ggx s PHE 27 N -1.42 -0.28 0.01 1.61 -0.12 -0.54 -4.30 117.98 112.93 1ggx s PHE 27 Ca 0.35 -0.02 0.02 0.00 -0.05 0.00 0.00 56.93 57.23 1ggx s PHE 27 Cb -0.14 0.38 -0.01 0.00 -0.63 0.00 0.00 43.02 42.61 1ggx s PHE 27 CO 0.18 -0.79 -0.07 -1.21 -0.05 0.00 0.00 175.22 173.28 1ggx s GLU 28 N -3.81 0.53 -0.01 1.99 2.02 0.12 -1.75 118.70 117.79 1ggx s GLU 28 Ca 0.04 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 54.69 1ggx s GLU 28 Cb 0.00 -0.47 0.00 0.00 0.10 0.00 0.00 34.13 33.76 1ggx s GLU 28 CO -0.10 0.12 -0.02 0.42 0.02 0.00 0.00 175.26 175.70 1ggx s ILE 29 N -0.40 0.19 0.07 -1.63 1.01 -0.59 -0.46 121.20 119.39 1ggx s ILE 29 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.63 1ggx s ILE 29 Cb -0.04 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.22 1ggx s ILE 29 CO -0.00 0.07 -0.17 -1.61 0.00 0.00 0.00 174.94 173.23 1ggx s GLU 30 N 0.07 1.00 0.31 2.79 2.02 -0.76 -0.17 118.70 123.96 1ggx s GLU 30 Ca -0.00 -0.96 -0.16 0.00 0.02 0.00 0.00 54.97 53.86 1ggx s GLU 30 Cb -0.02 -1.10 0.02 0.00 0.10 0.00 0.00 34.13 33.13 1ggx s GLU 30 CO -0.00 0.26 0.66 0.20 0.02 0.00 0.00 175.26 176.40 1ggx s GLY 31 N -1.57 0.34 -0.01 -1.39 0.00 0.72 -1.27 107.32 104.13 1ggx s GLY 31 Ca 0.02 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.07 1ggx s GLY 31 CO 0.03 -0.36 -0.01 -0.54 0.00 0.00 0.00 173.10 172.21 1ggx s GLU 32 N -3.39 0.24 0.20 2.90 2.02 -0.87 -1.39 118.70 118.41 1ggx s GLU 32 Ca 0.17 -0.01 0.02 0.00 0.02 0.00 0.00 54.97 55.17 1ggx s GLU 32 Cb -0.04 -0.32 -0.01 0.00 0.10 0.00 0.00 34.13 33.86 1ggx s GLU 32 CO 0.10 -0.04 0.09 0.41 0.02 0.00 0.00 175.26 175.84 1ggx n GLY 33 N 3.55 3.62 3.57 -1.39 0.00 0.84 -1.13 105.19 114.26 1ggx n GLY 33 Ca -0.19 -1.96 -0.06 0.00 0.00 0.00 0.00 46.02 43.80 1ggx n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ggx s GLU 34 N -2.76 0.46 -0.01 1.61 -1.05 -0.02 -1.58 118.70 115.35 1ggx s GLU 34 Ca 0.13 -0.10 -0.08 0.00 -0.15 0.00 0.00 54.97 54.77 1ggx s GLU 34 Cb 0.01 0.21 0.03 0.00 -0.44 0.00 0.00 34.13 33.93 1ggx s GLU 34 CO 0.09 -0.19 0.36 0.41 0.95 0.00 0.00 175.26 176.88 1ggx n GLY 35 N 0.09 0.46 2.98 -3.83 0.00 -0.23 -0.13 105.19 104.53 1ggx n GLY 35 Ca -0.04 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 44.79 1ggx n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ggx s ARG 36 N -2.00 1.91 0.49 1.61 1.81 0.61 -1.84 118.95 121.54 1ggx s ARG 36 Ca 0.08 -2.43 0.30 0.00 -1.72 0.00 0.00 55.73 51.96 1ggx s ARG 36 Cb -0.00 -3.33 1.39 0.00 -0.45 0.00 0.00 34.95 32.55 1ggx s ARG 36 CO -0.00 -1.08 1.81 -1.00 -0.68 0.00 0.00 175.30 174.35 1ggx h PRO 37 N 6.83 0.13 -0.01 3.54 0.13 -1.79 -0.35 132.00 140.48 1ggx h PRO 37 Ca -0.07 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1ggx h PRO 37 Cb 0.93 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1ggx h PRO 37 CO 0.65 0.09 -0.31 0.66 -0.23 0.00 0.00 178.00 178.85 1ggx n TYR 38 N -4.35 0.00 0.55 1.56 4.02 -1.26 -4.05 117.16 113.64 1ggx n TYR 38 Ca 0.24 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.18 1ggx n TYR 38 Cb 1.06 -0.09 -0.06 0.00 -0.02 0.00 0.00 39.34 40.23 1ggx n TYR 38 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1ggx n GLU 39 N -0.52 3.04 -1.78 -0.72 -0.58 -0.20 -4.70 120.64 115.18 1ggx n GLU 39 Ca 0.11 -0.05 -0.01 0.00 -0.42 0.00 0.00 57.16 56.80 1ggx n GLU 39 Cb 0.38 -1.06 -0.00 0.00 -0.57 0.00 0.00 31.44 30.18 1ggx n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ggx n GLY 40 N 1.25 0.36 3.15 0.62 0.00 -0.87 -4.73 105.19 104.97 1ggx n GLY 40 Ca 0.02 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 1ggx n GLY 40 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ggx s HIS 41 N -2.02 1.46 -0.22 1.61 3.76 -1.22 -0.97 115.29 117.69 1ggx s HIS 41 Ca 0.00 -0.29 -0.27 0.00 -0.15 0.00 0.00 55.06 54.36 1ggx s HIS 41 Cb 0.00 -0.93 0.10 0.00 1.11 0.00 0.00 32.58 32.86 1ggx s HIS 41 CO 0.00 -0.01 0.89 0.54 -0.85 0.00 0.00 174.74 175.30 1ggx s ASN 42 N -0.48 -0.55 0.21 1.40 2.20 -1.00 -0.29 114.94 116.43 1ggx s ASN 42 Ca 0.06 0.93 0.06 0.00 -0.94 0.00 0.00 52.86 52.97 1ggx s ASN 42 Cb -0.07 0.90 -0.05 0.00 -2.00 0.00 0.00 41.25 40.03 1ggx s ASN 42 CO -0.00 -0.28 -0.10 0.42 -2.94 0.00 0.00 177.10 174.20 1ggx s THR 43 N -0.16 1.50 -0.10 0.54 -4.23 0.82 -1.49 115.64 112.52 1ggx s THR 43 Ca -0.01 -2.14 -0.19 0.00 -1.18 0.00 0.00 61.69 58.18 1ggx s THR 43 Cb -0.03 -2.12 0.04 0.00 1.34 0.00 0.00 72.50 71.73 1ggx s THR 43 CO -0.01 -0.54 0.46 0.54 -0.54 0.00 0.00 174.62 174.54 1ggx s VAL 44 N -3.12 0.02 -0.14 2.29 0.11 -0.70 -0.84 120.40 118.02 1ggx s VAL 44 Ca 0.23 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.13 1ggx s VAL 44 Cb 0.02 -0.72 -0.00 0.00 -1.53 0.00 0.00 36.38 34.15 1ggx s VAL 44 CO 0.07 -0.09 -0.17 -0.75 -3.33 0.00 0.00 175.10 170.83 1ggx s LYS 45 N -0.58 3.21 0.16 1.54 2.20 -0.29 -0.03 119.74 125.96 1ggx s LYS 45 Ca -0.07 -0.76 0.09 0.00 -0.36 0.00 0.00 55.97 54.87 1ggx s LYS 45 Cb -0.03 -2.56 -0.04 0.00 -1.51 0.00 0.00 37.83 33.68 1ggx s LYS 45 CO 0.04 0.08 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.44 1ggx s LEU 46 N 0.64 2.75 -0.05 5.43 2.01 0.27 -2.05 118.68 127.68 1ggx s LEU 46 Ca -0.09 -0.63 -0.00 0.00 0.01 0.00 0.00 54.13 53.42 1ggx s LEU 46 Cb -0.16 -1.51 0.03 0.00 0.01 0.00 0.00 46.19 44.56 1ggx s LEU 46 CO 0.02 0.14 -0.01 -0.75 1.01 0.00 0.00 176.35 176.76 1ggx s LYS 47 N -2.52 0.56 -0.63 1.70 2.20 -0.40 -1.33 119.74 119.33 1ggx s LYS 47 Ca 0.21 0.05 -0.27 0.00 -0.36 0.00 0.00 55.97 55.60 1ggx s LYS 47 Cb -0.09 -0.79 0.01 0.00 -1.51 0.00 0.00 37.83 35.45 1ggx s LYS 47 CO 0.12 -0.20 1.53 0.08 -0.36 0.00 0.00 175.35 176.52 1ggx s VAL 48 N 1.43 3.62 -0.50 4.02 1.01 0.41 -1.83 120.40 128.55 1ggx s VAL 48 Ca -0.03 0.43 0.24 0.00 0.00 0.00 0.00 61.98 62.62 1ggx s VAL 48 Cb -0.13 -4.40 0.23 0.00 0.00 0.00 0.00 36.38 32.07 1ggx s VAL 48 CO -0.03 -1.28 1.51 0.71 0.00 0.00 0.00 175.10 176.01 1ggx h THR 49 N 6.45 0.00 -2.48 3.92 1.35 -1.09 -3.43 112.91 117.62 1ggx h THR 49 Ca -0.27 -0.80 -0.09 0.00 -0.55 0.00 0.00 66.41 64.70 1ggx h THR 49 Cb 1.10 1.65 -0.23 0.00 -1.73 0.00 0.00 68.15 68.94 1ggx h THR 49 CO 1.22 0.00 -0.11 -0.54 -0.25 0.00 0.00 175.52 175.84 1ggx s LYS 50 N -3.20 0.60 0.00 4.72 1.02 -0.87 -4.92 119.74 117.08 1ggx s LYS 50 Ca 0.06 0.73 0.00 0.00 0.02 0.00 0.00 55.97 56.79 1ggx s LYS 50 Cb 0.09 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.68 1ggx s LYS 50 CO 0.68 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 1ggx n GLY 51 N 2.89 0.76 3.88 -3.33 0.00 -1.26 0.11 105.19 108.23 1ggx n GLY 51 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1ggx n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ggx s GLY 52 N -1.73 1.97 0.40 -0.02 0.00 -1.26 -4.03 107.32 102.66 1ggx s GLY 52 Ca 0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 44.72 44.27 1ggx s GLY 52 CO 0.00 -0.03 1.02 2.56 0.00 0.00 0.00 173.10 176.65 1ggx s PRO 53 N -3.74 4.19 0.23 2.90 0.04 -1.26 -5.11 135.00 132.25 1ggx s PRO 53 Ca 0.51 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 1ggx s PRO 53 Cb -0.10 -2.48 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 1ggx s PRO 53 CO 0.30 -0.10 1.35 -0.51 0.04 0.00 0.00 177.00 178.07 1ggx s LEU 54 N -2.73 4.41 -0.05 -3.56 1.43 -1.26 -4.91 118.68 112.02 1ggx s LEU 54 Ca 0.58 2.51 0.03 0.00 -1.03 0.00 0.00 54.13 56.22 1ggx s LEU 54 Cb -0.19 -3.62 0.16 0.00 0.03 0.00 0.00 46.19 42.57 1ggx s LEU 54 CO 0.24 -0.57 0.75 -0.81 0.23 0.00 0.00 176.35 176.18 1ggx n PRO 55 N 2.35 1.75 -3.98 1.29 -0.04 -1.26 -4.85 135.00 130.25 1ggx n PRO 55 Ca 0.06 -0.61 -0.10 0.00 -0.04 0.00 0.00 63.50 62.81 1ggx n PRO 55 Cb 0.42 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 32.16 1ggx n PRO 55 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1ggx s PHE 56 N -1.35 0.46 0.11 0.54 -0.12 -1.26 -4.66 117.98 111.70 1ggx s PHE 56 Ca 0.11 -0.82 -0.33 0.00 -0.05 0.00 0.00 56.93 55.84 1ggx s PHE 56 Cb 0.08 -0.11 -0.12 0.00 -0.63 0.00 0.00 43.02 42.24 1ggx s PHE 56 CO 0.03 -0.69 1.75 0.00 -0.05 0.00 0.00 175.22 176.26 1ggx n ALA 57 N -0.20 1.80 0.05 1.99 0.00 0.48 -4.89 120.51 119.74 1ggx n ALA 57 Ca -0.07 0.36 0.04 0.00 0.00 0.00 0.00 53.44 53.77 1ggx n ALA 57 Cb 0.63 -2.49 0.45 0.00 0.00 0.00 0.00 19.45 18.04 1ggx n ALA 57 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1ggx h TRP 58 N 7.60 0.41 -1.06 0.00 2.91 -1.95 -3.15 115.95 120.71 1ggx h TRP 58 Ca -0.46 0.00 0.28 0.00 1.13 0.00 0.00 58.89 59.85 1ggx h TRP 58 Cb 1.24 -0.14 -0.08 0.00 -0.51 0.00 0.00 29.16 29.67 1ggx h TRP 58 CO 0.73 0.29 0.70 -0.44 -1.03 0.00 0.00 178.44 178.70 1ggx h ASP 59 N 0.44 0.32 0.66 2.65 3.32 -1.96 0.36 116.42 122.21 1ggx h ASP 59 Ca 0.11 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1ggx h ASP 59 Cb 0.01 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1ggx h ASP 59 CO -0.02 0.06 0.00 2.30 -1.72 0.00 0.00 179.24 179.86 1ggx n ILE 60 N -4.51 0.87 -0.08 0.35 -5.35 -1.19 -2.81 119.36 106.64 1ggx n ILE 60 Ca 0.25 0.26 -0.09 0.00 -0.27 0.00 0.00 62.75 62.90 1ggx n ILE 60 Cb 0.96 -1.18 -0.16 0.00 -1.74 0.00 0.00 39.64 37.52 1ggx n ILE 60 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1ggx n LEU 61 N -2.16 0.19 -0.34 7.28 4.77 0.10 -4.56 117.00 122.28 1ggx n LEU 61 Ca 0.02 0.09 0.17 0.00 -0.03 0.00 0.00 56.01 56.26 1ggx n LEU 61 Cb 0.21 0.42 0.40 0.00 -2.33 0.00 0.00 43.42 42.12 1ggx n LEU 61 CO 0.18 0.47 1.19 0.77 -1.33 0.00 0.00 177.39 178.67 1ggx h SER 62 N 0.00 0.65 0.18 -1.43 4.64 -1.36 -0.64 113.55 115.59 1ggx h SER 62 Ca -0.49 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1ggx h SER 62 Cb 2.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.27 1ggx h SER 62 CO 0.04 0.16 0.00 -2.65 -0.87 0.00 0.00 176.83 173.51 1ggx n PRO 63 N -4.78 0.73 0.00 4.77 -0.02 -1.26 -2.60 135.00 131.84 1ggx n PRO 63 Ca 0.25 0.01 0.11 0.00 -2.02 0.00 0.00 63.50 61.85 1ggx n PRO 63 Cb 0.72 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.77 1ggx n PRO 63 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1ggx n GLN 64 N -1.10 0.07 -1.11 -0.52 1.13 -0.25 -4.83 117.38 110.77 1ggx n GLN 64 Ca 0.19 -0.05 -0.20 0.00 -1.94 0.00 0.00 57.00 55.00 1ggx n GLN 64 Cb 0.14 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.99 1ggx n GLN 64 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1ggx n PHE 65 N -1.42 1.48 0.00 1.08 0.99 -1.07 -5.01 117.46 113.51 1ggx n PHE 65 Ca 0.05 -1.93 0.00 0.00 -0.00 0.00 0.00 57.45 55.57 1ggx n PHE 65 Cb 0.34 -1.14 0.00 0.00 -1.00 0.00 0.00 39.48 37.68 1ggx n PHE 65 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1ggx n SER 69 N 0.65 0.00 0.00 4.37 7.64 -1.26 -5.05 113.62 119.96 1ggx n SER 69 Ca 0.37 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.27 1ggx n SER 69 Cb 0.58 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.92 1ggx n SER 69 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ggx n LYS 70 N 0.00 0.22 0.16 1.43 4.76 -1.26 -1.87 118.16 121.60 1ggx n LYS 70 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1ggx n LYS 70 Cb 0.00 -1.33 0.41 0.00 -1.84 0.00 0.00 35.03 32.26 1ggx n LYS 70 CO 0.00 0.00 0.00 -0.24 -1.37 0.00 0.00 177.40 175.79 1ggx h VAL 71 N 0.00 0.00 -0.38 -0.18 3.04 -1.96 -2.82 116.25 113.95 1ggx h VAL 71 Ca 0.00 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1ggx h VAL 71 Cb 0.00 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1ggx h VAL 71 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.34 1ggx n TYR 72 N -2.56 0.53 -2.73 3.17 4.02 -0.78 -4.74 117.16 114.07 1ggx n TYR 72 Ca 0.04 -0.26 -0.42 0.00 -0.01 0.00 0.00 57.90 57.25 1ggx n TYR 72 Cb 0.39 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.68 1ggx n TYR 72 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1ggx s VAL 73 N -1.51 4.78 0.12 -0.72 1.01 -1.07 -3.23 120.40 119.78 1ggx s VAL 73 Ca 0.26 1.94 -0.31 0.00 0.00 0.00 0.00 61.98 63.86 1ggx s VAL 73 Cb 0.14 -4.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 1ggx s VAL 73 CO 0.17 -0.05 1.42 -0.75 0.00 0.00 0.00 175.10 175.89 1ggx s LYS 74 N 2.41 4.30 -0.00 2.72 2.20 -0.99 -4.81 119.74 125.56 1ggx s LYS 74 Ca 0.45 2.11 0.07 0.00 -0.36 0.00 0.00 55.97 58.24 1ggx s LYS 74 Cb -0.17 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 1ggx s LYS 74 CO 0.13 -0.47 -0.21 -1.01 -0.36 0.00 0.00 175.35 173.43 1ggx s HIS 75 N 1.16 1.89 0.92 4.03 3.76 -1.26 -0.14 115.29 125.65 1ggx s HIS 75 Ca 0.65 -0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 55.09 1ggx s HIS 75 Cb -0.38 -1.19 0.14 0.00 1.11 0.00 0.00 32.58 32.26 1ggx s HIS 75 CO 0.30 0.00 1.10 -2.14 -0.85 0.00 0.00 174.74 173.15 1ggx s PRO 76 N -0.67 1.05 0.41 8.40 0.02 -1.26 -4.91 135.00 138.04 1ggx s PRO 76 Ca 0.08 1.08 0.14 0.00 0.02 0.00 0.00 61.00 62.33 1ggx s PRO 76 Cb -0.08 -1.77 0.88 0.00 0.02 0.00 0.00 34.50 33.55 1ggx s PRO 76 CO -0.00 -2.46 1.92 0.00 -0.33 0.00 0.00 177.00 176.13 1ggx h ALA 77 N -1.72 1.53 -0.01 -1.55 0.00 -2.00 -2.93 119.26 112.59 1ggx h ALA 77 Ca -0.48 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1ggx h ALA 77 Cb 1.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ggx h ALA 77 CO 0.50 0.34 -0.01 -0.40 0.00 0.00 0.00 179.25 179.68 1ggx n ASP 78 N -4.19 0.73 -4.18 0.00 5.75 -1.26 -4.67 116.55 108.73 1ggx n ASP 78 Ca -0.02 -1.21 -0.35 0.00 -0.01 0.00 0.00 54.79 53.20 1ggx n ASP 78 Cb 0.32 -0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.27 1ggx n ASP 78 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ggx s ILE 79 N -2.03 3.03 0.08 2.12 1.01 -1.11 -5.03 121.20 119.27 1ggx s ILE 79 Ca 0.42 -1.36 -0.35 0.00 0.00 0.00 0.00 60.65 59.36 1ggx s ILE 79 Cb 0.21 -2.73 -0.15 0.00 0.01 0.00 0.00 42.46 39.80 1ggx s ILE 79 CO 0.36 -0.10 1.52 -0.81 0.00 0.00 0.00 174.94 175.91 1ggx n PRO 80 N 4.63 1.68 -2.82 2.79 -0.04 -1.26 -4.60 135.00 135.39 1ggx n PRO 80 Ca -0.13 0.61 -0.44 0.00 -0.04 0.00 0.00 63.50 63.50 1ggx n PRO 80 Cb 0.44 -2.33 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 1ggx n PRO 80 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ggx n ASP 81 N 3.49 5.18 -0.29 3.54 -0.08 -1.26 -4.36 116.55 122.77 1ggx n ASP 81 Ca 0.19 -3.00 0.02 0.00 -1.51 0.00 0.00 54.79 50.49 1ggx n ASP 81 Cb 0.24 -1.56 0.09 0.00 2.34 0.00 0.00 41.12 42.23 1ggx n ASP 81 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1ggx h TYR 82 N 6.88 -0.51 -0.35 -0.67 3.20 -1.89 -0.72 116.97 122.91 1ggx h TYR 82 Ca 0.34 0.08 -0.05 0.00 3.14 0.00 0.00 58.73 62.24 1ggx h TYR 82 Cb 0.83 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 1ggx h TYR 82 CO 1.14 -0.36 0.03 0.87 -1.64 0.00 0.00 178.16 178.20 1ggx h LYS 83 N -0.01 0.59 -0.44 1.82 1.57 -1.90 -2.33 116.57 115.87 1ggx h LYS 83 Ca 0.38 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 1ggx h LYS 83 Cb 0.59 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 1ggx h LYS 83 CO -0.84 0.69 0.20 0.87 -0.57 0.00 0.00 179.45 179.80 1ggx h LYS 84 N 0.41 0.64 -0.19 3.15 1.57 -1.72 -2.55 116.57 117.89 1ggx h LYS 84 Ca 0.10 -0.10 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1ggx h LYS 84 Cb 0.40 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1ggx h LYS 84 CO 0.01 0.56 0.16 -0.07 -0.57 0.00 0.00 179.45 179.55 1ggx h LEU 85 N 0.56 0.00 -1.88 2.94 3.38 -1.03 -2.50 115.31 116.79 1ggx h LEU 85 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1ggx h LEU 85 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ggx h LEU 85 CO -0.02 0.00 -0.07 0.77 0.09 0.00 0.00 178.44 179.22 1ggx h SER 86 N 0.00 0.00 -4.18 -0.43 4.64 -0.97 -3.44 113.55 109.16 1ggx h SER 86 Ca 0.09 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.90 1ggx h SER 86 Cb 0.41 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.55 1ggx h SER 86 CO -0.00 0.07 0.35 -0.36 -0.87 0.00 0.00 176.83 176.01 1ggx s PHE 87 N -3.93 3.59 0.50 4.77 0.40 -0.94 -0.45 117.98 121.91 1ggx s PHE 87 Ca -0.01 1.16 0.20 0.00 -0.60 0.00 0.00 56.93 57.67 1ggx s PHE 87 Cb 0.11 -2.65 1.32 0.00 0.51 0.00 0.00 43.02 42.31 1ggx s PHE 87 CO 0.54 -0.64 2.11 -1.00 0.70 0.00 0.00 175.22 176.94 1ggx h PRO 88 N -0.22 0.00 -0.25 0.24 0.13 -1.88 -3.45 132.00 126.57 1ggx h PRO 88 Ca -0.45 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.75 1ggx h PRO 88 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 1ggx h PRO 88 CO 0.62 0.07 -0.23 0.93 -0.23 0.00 0.00 178.00 179.16 1ggx h GLU 89 N 0.00 -0.22 0.00 0.86 3.07 -1.92 -3.34 114.58 113.03 1ggx h GLU 89 Ca -0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1ggx h GLU 89 Cb 0.15 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1ggx h GLU 89 CO 0.01 -0.15 0.00 0.41 -1.40 0.00 0.00 179.01 177.88 1ggx n GLY 90 N -1.37 -1.55 3.54 -3.84 0.00 0.40 -4.57 105.19 97.80 1ggx n GLY 90 Ca -0.01 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 1ggx n GLY 90 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ggx s PHE 91 N 0.00 0.45 0.16 1.61 -0.71 -0.94 -0.96 117.98 117.58 1ggx s PHE 91 Ca 0.00 -0.79 0.11 0.00 -1.04 0.00 0.00 56.93 55.20 1ggx s PHE 91 Cb 0.00 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.87 1ggx s PHE 91 CO 0.00 -0.95 -0.25 0.15 -1.34 0.00 0.00 175.22 172.83 1ggx s LYS 92 N -4.03 1.42 0.02 1.99 1.02 0.08 -0.54 119.74 119.70 1ggx s LYS 92 Ca 0.24 -1.42 0.01 0.00 0.02 0.00 0.00 55.97 54.83 1ggx s LYS 92 Cb 0.00 -1.81 -0.02 0.00 -0.52 0.00 0.00 37.83 35.49 1ggx s LYS 92 CO 0.09 0.41 -0.05 1.67 -0.92 0.00 0.00 175.35 176.55 1ggx s TRP 93 N -1.39 0.44 0.20 3.18 1.48 -0.39 -0.18 118.94 122.27 1ggx s TRP 93 Ca 0.16 -0.36 0.05 0.00 -1.06 0.00 0.00 56.10 54.90 1ggx s TRP 93 Cb -0.09 -0.28 -0.05 0.00 -1.16 0.00 0.00 33.47 31.90 1ggx s TRP 93 CO 0.08 -0.08 -0.07 -1.21 -4.06 0.00 0.00 176.95 171.60 1ggx s GLU 94 N -1.04 1.24 0.02 3.25 2.02 -0.56 0.40 118.70 124.02 1ggx s GLU 94 Ca -0.08 -1.58 -0.28 0.00 0.02 0.00 0.00 54.97 53.06 1ggx s GLU 94 Cb -0.07 -0.73 0.07 0.00 0.10 0.00 0.00 34.13 33.50 1ggx s GLU 94 CO -0.00 0.03 0.66 0.50 0.02 0.00 0.00 175.26 176.47 1ggx s ARG 95 N -3.77 1.12 -0.07 1.61 3.52 0.12 -1.43 118.95 120.06 1ggx s ARG 95 Ca 0.23 -0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.85 1ggx s ARG 95 Cb 0.03 0.52 0.00 0.00 -1.56 0.00 0.00 34.95 33.95 1ggx s ARG 95 CO 0.05 -0.41 -0.19 0.08 -0.81 0.00 0.00 175.30 174.02 1ggx s VAL 96 N -2.14 1.63 -0.22 7.11 1.01 0.22 -0.71 120.40 127.31 1ggx s VAL 96 Ca -0.06 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1ggx s VAL 96 Cb -0.00 -1.42 0.04 0.00 0.00 0.00 0.00 36.38 35.00 1ggx s VAL 96 CO 0.01 0.46 -0.14 -0.04 0.00 0.00 0.00 175.10 175.40 1ggx s MET 97 N 0.27 2.46 -0.35 2.72 -1.94 -0.38 -1.21 119.30 120.87 1ggx s MET 97 Ca -0.11 -1.03 -0.10 0.00 -1.71 0.00 0.00 55.69 52.73 1ggx s MET 97 Cb -0.15 -2.65 0.02 0.00 2.01 0.00 0.00 34.83 34.05 1ggx s MET 97 CO 0.05 -0.40 0.19 -0.80 -0.01 0.00 0.00 175.02 174.04 1ggx s ASN 98 N 1.24 5.66 0.21 3.03 0.01 -0.19 -2.18 114.94 122.72 1ggx s ASN 98 Ca -0.02 -0.86 -0.17 0.00 -0.71 0.00 0.00 52.86 51.10 1ggx s ASN 98 Cb -0.16 -2.01 -0.08 0.00 0.41 0.00 0.00 41.25 39.41 1ggx s ASN 98 CO -0.09 -0.33 0.67 -0.36 -1.51 0.00 0.00 177.10 175.49 1ggx s PHE 99 N 1.56 3.60 0.44 2.20 0.40 0.20 -0.98 117.98 125.41 1ggx s PHE 99 Ca 0.03 1.26 0.39 0.00 -0.60 0.00 0.00 56.93 58.01 1ggx s PHE 99 Cb -0.19 -2.53 2.11 0.00 0.51 0.00 0.00 43.02 42.92 1ggx s PHE 99 CO 0.06 0.33 2.19 1.05 0.70 0.00 0.00 175.22 179.56 1ggx h GLU 100 N 3.31 0.00 -0.60 0.44 4.11 -1.61 -2.09 114.58 118.13 1ggx h GLU 100 Ca -0.48 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.86 1ggx h GLU 100 Cb 1.19 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 1ggx h GLU 100 CO 0.65 0.00 0.10 -0.40 0.07 0.00 0.00 179.01 179.44 1ggx n ASP 101 N -2.86 5.10 0.00 3.06 5.75 -1.26 -4.93 116.55 121.41 1ggx n ASP 101 Ca -0.03 -3.08 0.00 0.00 -0.01 0.00 0.00 54.79 51.67 1ggx n ASP 101 Cb 0.06 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 1ggx n ASP 101 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggx n GLY 102 N 0.13 3.38 3.76 6.12 0.00 -0.79 -4.69 105.19 113.10 1ggx n GLY 102 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 1ggx n GLY 102 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ggx s GLY 103 N -2.94 2.36 -0.01 -0.02 0.00 -1.15 -4.76 107.32 100.80 1ggx s GLY 103 Ca 0.00 1.54 0.01 0.00 0.00 0.00 0.00 44.72 46.28 1ggx s GLY 103 CO 0.00 2.44 -0.05 0.14 0.00 0.00 0.00 173.10 175.63 1ggx s VAL 104 N -0.31 0.41 -0.01 1.40 1.01 -0.28 -0.62 120.40 122.00 1ggx s VAL 104 Ca 0.60 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1ggx s VAL 104 Cb -0.47 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 1ggx s VAL 104 CO 0.51 0.13 -0.06 -0.69 0.00 0.00 0.00 175.10 175.00 1ggx s VAL 105 N 0.06 0.46 0.03 2.92 1.01 -0.93 -0.47 120.40 123.48 1ggx s VAL 105 Ca -0.00 -0.23 0.09 0.00 0.00 0.00 0.00 61.98 61.83 1ggx s VAL 105 Cb -0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 1ggx s VAL 105 CO -0.00 0.14 -0.26 0.42 0.00 0.00 0.00 175.10 175.39 1ggx s THR 106 N -0.04 2.13 0.01 3.92 -4.23 -0.84 -1.25 115.64 115.34 1ggx s THR 106 Ca 0.01 -1.32 0.03 0.00 -1.18 0.00 0.00 61.69 59.24 1ggx s THR 106 Cb -0.03 -1.80 -0.01 0.00 1.34 0.00 0.00 72.50 71.99 1ggx s THR 106 CO -0.00 0.42 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.70 1ggx s VAL 107 N -0.76 0.82 -0.04 2.29 1.01 0.11 -1.96 120.40 121.87 1ggx s VAL 107 Ca 0.11 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1ggx s VAL 107 Cb -0.10 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1ggx s VAL 107 CO 0.01 0.06 -0.04 0.28 0.00 0.00 0.00 175.10 175.41 1ggx s THR 108 N -0.58 0.49 0.04 3.92 -1.32 -0.80 -0.70 115.64 116.70 1ggx s THR 108 Ca 0.01 -0.10 0.02 0.00 -1.21 0.00 0.00 61.69 60.40 1ggx s THR 108 Cb -0.06 -0.52 -0.02 0.00 -1.51 0.00 0.00 72.50 70.39 1ggx s THR 108 CO 0.00 0.21 -0.07 -1.58 -2.21 0.00 0.00 174.62 170.98 1ggx s GLN 109 N 0.89 0.50 -0.08 7.08 -0.44 0.16 -1.48 119.66 126.28 1ggx s GLN 109 Ca -0.12 -0.77 0.03 0.00 -2.50 0.00 0.00 55.36 52.01 1ggx s GLN 109 Cb -0.14 -0.20 0.00 0.00 -1.64 0.00 0.00 33.01 31.03 1ggx s GLN 109 CO 0.00 0.02 -0.19 0.34 0.50 0.00 0.00 175.29 175.96 1ggx s ASP 110 N -1.67 2.57 -0.17 6.67 -1.08 -0.39 -1.26 116.67 121.34 1ggx s ASP 110 Ca -0.10 -0.46 0.01 0.00 -0.52 0.00 0.00 52.55 51.49 1ggx s ASP 110 Cb -0.09 -1.16 0.01 0.00 -1.46 0.00 0.00 42.92 40.22 1ggx s ASP 110 CO -0.00 0.11 -0.19 -0.44 0.52 0.00 0.00 175.17 175.17 1ggx s SER 111 N 0.45 3.27 0.37 -0.34 0.01 0.29 -1.78 113.70 115.97 1ggx s SER 111 Ca -0.17 -0.60 0.04 0.00 1.31 0.00 0.00 55.95 56.54 1ggx s SER 111 Cb -0.17 -1.50 -0.03 0.00 0.21 0.00 0.00 66.02 64.54 1ggx s SER 111 CO 0.07 0.04 0.16 -0.94 0.41 0.00 0.00 173.24 172.98 1ggx s SER 112 N 1.09 2.32 -0.10 2.44 1.04 -0.57 -2.21 113.70 117.70 1ggx s SER 112 Ca -0.00 -1.66 -0.01 0.00 0.48 0.00 0.00 55.95 54.76 1ggx s SER 112 Cb -0.14 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.49 1ggx s SER 112 CO -0.07 -0.94 -0.05 -0.22 0.98 0.00 0.00 173.24 172.94 1ggx s LEU 113 N -3.51 1.02 -0.19 2.42 2.96 -1.25 -0.51 118.68 119.61 1ggx s LEU 113 Ca 0.30 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1ggx s LEU 113 Cb 0.03 -0.72 0.04 0.00 0.50 0.00 0.00 46.19 46.05 1ggx s LEU 113 CO 0.18 -0.15 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.39 1ggx s GLN 114 N 1.79 1.80 -1.29 1.98 0.74 -0.12 -4.82 119.66 119.74 1ggx s GLN 114 Ca 0.05 -0.72 -0.04 0.00 0.05 0.00 0.00 55.36 54.70 1ggx s GLN 114 Cb -0.13 -2.27 -0.00 0.00 1.10 0.00 0.00 33.01 31.71 1ggx s GLN 114 CO -0.07 -0.43 0.66 -0.25 -0.55 0.00 0.00 175.29 174.64 1ggx n ASP 115 N 4.76 -1.84 0.00 6.67 8.00 -1.26 -1.88 116.55 131.00 1ggx n ASP 115 Ca -0.14 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1ggx n ASP 115 Cb 0.47 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 1ggx n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ggx n GLY 116 N -1.67 0.44 3.08 0.44 0.00 -1.26 -5.00 105.19 101.21 1ggx n GLY 116 Ca -0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 1ggx n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ggx s PHE 118 N 0.79 3.07 -0.14 0.00 0.08 -0.66 -0.95 117.98 120.17 1ggx s PHE 118 Ca -0.11 1.52 0.01 0.00 0.12 0.00 0.00 56.93 58.48 1ggx s PHE 118 Cb -0.16 -3.48 0.02 0.00 -0.57 0.00 0.00 43.02 38.83 1ggx s PHE 118 CO 0.02 -1.47 -0.18 0.42 -0.10 0.00 0.00 175.22 173.91 1ggx s ILE 119 N -1.31 1.78 -0.12 0.64 -1.09 0.33 -0.96 121.20 120.47 1ggx s ILE 119 Ca 0.54 -0.79 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 1ggx s ILE 119 Cb -0.34 -1.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.91 1ggx s ILE 119 CO 0.43 0.49 -0.14 -0.31 -1.23 0.00 0.00 174.94 174.19 1ggx s TYR 120 N 1.16 2.79 -0.14 3.97 2.02 0.94 -1.52 117.35 126.57 1ggx s TYR 120 Ca -0.01 -0.61 0.00 0.00 -0.37 0.00 0.00 57.07 56.09 1ggx s TYR 120 Cb -0.14 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.63 1ggx s TYR 120 CO -0.07 -0.18 -0.13 0.15 -1.57 0.00 0.00 175.55 173.76 1ggx s LYS 121 N 0.23 2.10 -0.02 -0.62 1.02 -0.73 -1.47 119.74 120.24 1ggx s LYS 121 Ca -0.09 -0.48 0.06 0.00 0.02 0.00 0.00 55.97 55.49 1ggx s LYS 121 Cb -0.15 -1.96 -0.02 0.00 -0.52 0.00 0.00 37.83 35.18 1ggx s LYS 121 CO 0.05 -0.23 -0.21 0.08 -0.92 0.00 0.00 175.35 174.12 1ggx s VAL 122 N 1.51 1.68 -0.11 3.17 1.01 -0.01 -1.26 120.40 126.39 1ggx s VAL 122 Ca 0.04 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1ggx s VAL 122 Cb -0.13 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1ggx s VAL 122 CO -0.09 0.48 -0.23 -0.54 0.00 0.00 0.00 175.10 174.71 1ggx s LYS 123 N -0.47 2.98 -0.05 2.72 1.02 -0.55 -0.93 119.74 124.47 1ggx s LYS 123 Ca 0.07 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.24 1ggx s LYS 123 Cb -0.09 -2.31 0.01 0.00 -0.52 0.00 0.00 37.83 34.93 1ggx s LYS 123 CO -0.01 0.11 -0.11 0.12 -0.92 0.00 0.00 175.35 174.54 1ggx s PHE 124 N 0.51 1.27 -0.22 3.18 2.19 -0.19 -1.90 117.98 122.84 1ggx s PHE 124 Ca -0.15 -0.42 -0.03 0.00 0.33 0.00 0.00 56.93 56.67 1ggx s PHE 124 Cb -0.17 -0.93 0.07 0.00 -1.31 0.00 0.00 43.02 40.67 1ggx s PHE 124 CO 0.05 -0.21 0.05 0.42 1.83 0.00 0.00 175.22 177.36 1ggx s ILE 125 N 0.52 0.55 -0.12 3.12 1.01 -0.83 -1.57 121.20 123.88 1ggx s ILE 125 Ca -0.10 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.83 1ggx s ILE 125 Cb -0.14 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.18 1ggx s ILE 125 CO 0.02 -0.31 -0.05 -0.83 0.00 0.00 0.00 174.94 173.77 1ggx s GLY 126 N 1.83 1.71 0.17 6.18 0.00 0.32 -1.99 107.32 115.54 1ggx s GLY 126 Ca 0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 44.72 43.86 1ggx s GLY 126 CO -0.12 -0.30 0.15 -1.34 0.00 0.00 0.00 173.10 171.48 1ggx s VAL 127 N -0.10 0.05 -1.44 1.40 -7.23 0.37 -1.66 120.40 111.79 1ggx s VAL 127 Ca 0.02 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.33 1ggx s VAL 127 Cb -0.13 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1ggx s VAL 127 CO 0.03 -0.24 0.29 -3.20 -0.31 0.00 0.00 175.10 171.67 1ggx n ASN 128 N -0.20 -5.42 -4.67 4.85 5.15 -1.26 -1.12 115.26 112.59 1ggx n ASN 128 Ca -0.03 -0.14 -0.40 0.00 -0.60 0.00 0.00 54.58 53.41 1ggx n ASN 128 Cb 0.64 -4.36 -0.06 0.00 -0.53 0.00 0.00 39.78 35.48 1ggx n ASN 128 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1ggx s PHE 129 N -3.01 3.40 0.35 1.20 0.08 -1.26 -2.94 117.98 115.80 1ggx s PHE 129 Ca 0.14 0.96 -0.28 0.00 0.12 0.00 0.00 56.93 57.87 1ggx s PHE 129 Cb -0.06 -2.79 -0.12 0.00 -0.57 0.00 0.00 43.02 39.48 1ggx s PHE 129 CO 0.18 -0.13 1.45 -2.30 -0.10 0.00 0.00 175.22 174.32 1ggx n PRO 130 N 4.87 2.51 0.28 0.24 -0.02 -1.26 -4.87 135.00 136.75 1ggx n PRO 130 Ca -0.02 0.88 0.16 0.00 -2.02 0.00 0.00 63.50 62.50 1ggx n PRO 130 Cb 0.50 -2.58 0.80 0.00 -0.02 0.00 0.00 33.50 32.20 1ggx n PRO 130 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ggx h SER 131 N 3.21 0.00 -0.51 2.55 4.64 -1.98 -1.83 113.55 119.63 1ggx h SER 131 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1ggx h SER 131 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ggx h SER 131 CO 0.67 0.07 0.00 -0.90 -0.87 0.00 0.00 176.83 175.80 1ggx n ASP 132 N -3.38 3.48 -4.63 4.97 5.68 -1.26 -4.44 116.55 116.97 1ggx n ASP 132 Ca -0.01 -1.97 -0.29 0.00 -0.50 0.00 0.00 54.79 52.02 1ggx n ASP 132 Cb 0.23 -0.34 0.13 0.00 -1.14 0.00 0.00 41.12 40.00 1ggx n ASP 132 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1ggx s GLY 133 N -1.13 1.64 0.29 6.12 0.00 -0.69 -4.82 107.32 108.73 1ggx s GLY 133 Ca 0.38 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.33 1ggx s GLY 133 CO 0.28 -0.19 1.86 -2.55 0.00 0.00 0.00 173.10 172.50 1ggx h PRO 134 N -1.36 0.99 0.18 2.90 0.11 -1.94 -0.69 132.00 132.19 1ggx h PRO 134 Ca -0.46 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1ggx h PRO 134 Cb 1.30 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ggx h PRO 134 CO 0.57 0.66 -0.09 0.28 -0.21 0.00 0.00 178.00 179.21 1ggx h VAL 135 N 1.02 0.93 0.00 3.15 2.07 -1.93 -0.35 116.25 121.13 1ggx h VAL 135 Ca 0.47 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 1ggx h VAL 135 Cb 0.39 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1ggx h VAL 135 CO -0.22 0.19 -0.19 0.24 0.02 0.00 0.00 177.57 177.60 1ggx h MET 136 N -0.69 0.00 -0.37 1.57 2.86 -1.75 0.14 114.93 116.69 1ggx h MET 136 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ggx h MET 136 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1ggx h MET 136 CO 0.04 0.19 0.00 1.04 1.06 0.00 0.00 176.91 179.24 1ggx n GLN 137 N -3.32 2.34 -3.86 1.72 1.13 -0.27 -4.66 117.38 110.45 1ggx n GLN 137 Ca 0.00 -2.03 -0.33 0.00 -1.94 0.00 0.00 57.00 52.71 1ggx n GLN 137 Cb 0.43 -1.48 0.01 0.00 0.11 0.00 0.00 30.24 29.31 1ggx n GLN 137 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ggx n LYS 138 N 1.23 -1.61 -0.32 -1.09 5.02 -0.50 -4.90 118.16 115.99 1ggx n LYS 138 Ca 0.19 0.35 0.07 0.00 -2.02 0.00 0.00 58.31 56.90 1ggx n LYS 138 Cb 0.54 -3.91 0.22 0.00 -0.02 0.00 0.00 35.03 31.87 1ggx n LYS 138 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1ggx n LYS 139 N -4.43 3.01 -3.17 1.97 4.76 -0.26 -4.99 118.16 115.05 1ggx n LYS 139 Ca -0.17 -2.41 -0.29 0.00 -2.87 0.00 0.00 58.31 52.58 1ggx n LYS 139 Cb 0.62 -1.52 -0.03 0.00 -1.84 0.00 0.00 35.03 32.26 1ggx n LYS 139 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1ggx s THR 140 N -1.52 4.95 -0.35 -0.18 -4.23 -1.26 -0.48 115.64 112.58 1ggx s THR 140 Ca 0.34 0.22 0.14 0.00 -1.18 0.00 0.00 61.69 61.21 1ggx s THR 140 Cb 0.21 -3.74 0.45 0.00 1.34 0.00 0.00 72.50 70.76 1ggx s THR 140 CO 0.17 -0.41 1.02 0.23 -0.54 0.00 0.00 174.62 175.09 1ggx n MET 141 N -1.12 1.94 0.00 3.99 2.81 0.25 -4.74 117.12 120.25 1ggx n MET 141 Ca -0.00 -3.66 0.00 0.00 -1.81 0.00 0.00 57.70 52.22 1ggx n MET 141 Cb 0.54 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 1ggx n MET 141 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ggx n GLY 142 N -0.26 -0.57 3.90 3.03 0.00 -1.26 -4.56 105.19 105.48 1ggx n GLY 142 Ca 0.19 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 1ggx n GLY 142 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ggx s TRP 143 N -2.52 3.48 0.54 1.61 0.52 -1.26 -1.14 118.94 120.16 1ggx s TRP 143 Ca 0.00 0.64 -0.08 0.00 0.02 0.00 0.00 56.10 56.68 1ggx s TRP 143 Cb 0.00 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.18 1ggx s TRP 143 CO 0.00 0.17 0.89 -1.21 0.02 0.00 0.00 176.95 176.83 1ggx s GLU 144 N -3.55 3.59 0.69 4.98 0.41 -0.65 -4.85 118.70 119.32 1ggx s GLU 144 Ca 0.44 0.47 -0.16 0.00 -0.41 0.00 0.00 54.97 55.31 1ggx s GLU 144 Cb -0.11 -2.24 0.02 0.00 -1.78 0.00 0.00 34.13 30.01 1ggx s GLU 144 CO 0.30 -0.35 1.20 0.00 -0.49 0.00 0.00 175.26 175.92 1ggx s ALA 145 N -2.91 2.27 0.34 5.21 0.00 -1.26 -4.77 121.76 120.64 1ggx s ALA 145 Ca 0.51 0.89 0.03 0.00 0.00 0.00 0.00 51.96 53.39 1ggx s ALA 145 Cb -0.11 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1ggx s ALA 145 CO 0.48 -1.63 0.11 -1.54 0.00 0.00 0.00 175.76 173.18 1ggx s SER 146 N -1.97 2.21 -0.18 0.00 1.04 0.13 -4.95 113.70 109.98 1ggx s SER 146 Ca 0.75 -1.53 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 1ggx s SER 146 Cb -0.29 0.27 0.08 0.00 0.10 0.00 0.00 66.02 66.18 1ggx s SER 146 CO 0.42 -0.81 0.16 -0.89 0.98 0.00 0.00 173.24 173.11 1ggx s THR 147 N -3.39 -0.23 -0.01 2.02 2.01 -1.26 -1.33 115.64 113.46 1ggx s THR 147 Ca 0.32 -0.11 -0.17 0.00 0.31 0.00 0.00 61.69 62.04 1ggx s THR 147 Cb 0.05 -0.61 -0.06 0.00 0.01 0.00 0.00 72.50 71.90 1ggx s THR 147 CO 0.15 -0.22 0.48 -0.70 -0.69 0.00 0.00 174.62 173.65 1ggx s GLU 148 N 2.25 4.13 -0.36 4.92 2.12 0.11 -4.56 118.70 127.31 1ggx s GLU 148 Ca 0.05 0.53 -0.13 0.00 0.36 0.00 0.00 54.97 55.78 1ggx s GLU 148 Cb -0.16 -3.29 -0.00 0.00 0.26 0.00 0.00 34.13 30.94 1ggx s GLU 148 CO -0.10 0.52 0.24 0.50 -0.54 0.00 0.00 175.26 175.88 1ggx s ARG 149 N -0.58 3.30 0.29 4.30 3.00 -0.50 -1.33 118.95 127.43 1ggx s ARG 149 Ca 0.26 -0.78 0.08 0.00 -1.00 0.00 0.00 55.73 54.29 1ggx s ARG 149 Cb -0.17 -3.82 -0.04 0.00 0.00 0.00 0.00 34.95 30.92 1ggx s ARG 149 CO 0.14 -0.54 0.12 -0.51 0.00 0.00 0.00 175.30 174.52 1ggx s LEU 150 N 1.69 3.42 -0.12 -0.88 1.02 0.47 -1.71 118.68 122.58 1ggx s LEU 150 Ca 0.05 -0.56 -0.31 0.00 0.02 0.00 0.00 54.13 53.34 1ggx s LEU 150 Cb -0.18 -1.94 0.12 0.00 0.02 0.00 0.00 46.19 44.21 1ggx s LEU 150 CO 0.10 -0.13 1.02 -0.72 0.02 0.00 0.00 176.35 176.64 1ggx s TYR 151 N -2.30 -0.29 0.34 0.29 1.13 -0.17 -1.96 117.35 114.38 1ggx s TYR 151 Ca 0.35 0.33 -0.17 0.00 -1.41 0.00 0.00 57.07 56.16 1ggx s TYR 151 Cb -0.06 0.50 -0.09 0.00 -1.10 0.00 0.00 41.96 41.21 1ggx s TYR 151 CO 0.23 -0.37 0.80 -1.25 -2.51 0.00 0.00 175.55 172.45 1ggx s PRO 152 N -2.10 4.11 -0.28 -3.49 0.04 -1.26 -1.57 135.00 130.44 1ggx s PRO 152 Ca 0.04 0.83 -0.26 0.00 0.04 0.00 0.00 61.00 61.65 1ggx s PRO 152 Cb -0.01 -2.43 0.16 0.00 0.04 0.00 0.00 34.50 32.26 1ggx s PRO 152 CO -0.04 0.14 1.26 0.50 0.04 0.00 0.00 177.00 178.90 1ggx s ARG 153 N -2.89 0.25 -1.61 4.56 3.52 -0.25 -4.93 118.95 117.61 1ggx s ARG 153 Ca 0.55 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 56.41 1ggx s ARG 153 Cb -0.11 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.40 1ggx s ARG 153 CO 0.17 -0.04 0.00 -3.47 -0.81 0.00 0.00 175.30 171.15 1ggx n ASP 154 N 1.69 -5.29 0.00 -2.12 -0.08 -1.26 -0.82 116.55 108.67 1ggx n ASP 154 Ca -0.10 0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1ggx n ASP 154 Cb 0.57 -4.45 0.00 0.00 2.34 0.00 0.00 41.12 39.58 1ggx n ASP 154 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ggx n GLY 155 N -0.90 0.54 1.68 0.27 0.00 -1.26 -4.99 105.19 100.54 1ggx n GLY 155 Ca -0.22 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 1ggx n GLY 155 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ggx n VAL 156 N -2.50 0.00 -4.41 1.61 0.24 -0.00 -4.96 118.33 108.31 1ggx n VAL 156 Ca 0.00 -1.20 -0.34 0.00 -2.04 0.00 0.00 64.34 60.76 1ggx n VAL 156 Cb 0.07 0.44 -0.11 0.00 -1.47 0.00 0.00 33.84 32.77 1ggx n VAL 156 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1ggx s LEU 157 N 0.00 3.36 0.11 1.34 2.96 -0.85 -1.09 118.68 124.52 1ggx s LEU 157 Ca 0.11 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 1ggx s LEU 157 Cb 0.01 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.87 1ggx s LEU 157 CO 0.08 0.26 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.72 1ggx s LYS 158 N -0.20 0.94 -0.13 1.98 1.02 -0.61 0.46 119.74 123.21 1ggx s LYS 158 Ca 0.04 -1.24 -0.27 0.00 0.02 0.00 0.00 55.97 54.52 1ggx s LYS 158 Cb -0.13 -0.66 0.07 0.00 -0.52 0.00 0.00 37.83 36.58 1ggx s LYS 158 CO 0.02 0.11 0.66 0.20 -0.92 0.00 0.00 175.35 175.42 1ggx s GLY 159 N -2.59 -0.53 0.13 -3.33 0.00 -0.89 -1.00 107.32 99.11 1ggx s GLY 159 Ca 0.09 1.48 0.09 0.00 0.00 0.00 0.00 44.72 46.38 1ggx s GLY 159 CO 0.01 1.17 -0.21 -0.54 0.00 0.00 0.00 173.10 173.53 1ggx s GLU 160 N -0.61 1.22 -0.03 2.90 8.01 -0.69 -0.88 118.70 128.62 1ggx s GLU 160 Ca -0.07 -1.26 -0.03 0.00 0.01 0.00 0.00 54.97 53.61 1ggx s GLU 160 Cb -0.02 -1.47 0.01 0.00 -4.31 0.00 0.00 34.13 28.33 1ggx s GLU 160 CO 0.06 0.33 0.09 0.42 0.01 0.00 0.00 175.26 176.17 1ggx s ILE 161 N -1.38 0.00 -0.49 -1.63 1.01 -0.05 -1.41 121.20 117.26 1ggx s ILE 161 Ca 0.10 -0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.60 1ggx s ILE 161 Cb -0.09 -0.14 0.11 0.00 0.01 0.00 0.00 42.46 42.35 1ggx s ILE 161 CO 0.05 -0.01 0.40 -1.00 0.00 0.00 0.00 174.94 174.38 1ggx s HIS 162 N 0.00 3.31 0.40 3.97 3.76 -1.26 -0.24 115.29 125.24 1ggx s HIS 162 Ca -0.00 -1.44 0.08 0.00 -0.15 0.00 0.00 55.06 53.54 1ggx s HIS 162 Cb -0.01 -3.49 -0.03 0.00 1.11 0.00 0.00 32.58 30.17 1ggx s HIS 162 CO 0.00 -0.95 0.32 0.15 -0.85 0.00 0.00 174.74 173.41 1ggx s LYS 163 N 1.51 2.50 -0.17 1.40 1.02 -0.36 -4.80 119.74 120.84 1ggx s LYS 163 Ca 0.04 -1.56 -0.15 0.00 0.02 0.00 0.00 55.97 54.32 1ggx s LYS 163 Cb -0.27 -2.31 0.05 0.00 -0.52 0.00 0.00 37.83 34.77 1ggx s LYS 163 CO 0.02 -0.13 0.45 0.00 -0.92 0.00 0.00 175.35 174.78 1ggx s ALA 164 N -2.47 -1.12 -0.16 5.17 0.00 -1.26 -1.86 121.76 120.05 1ggx s ALA 164 Ca 0.46 1.31 -0.08 0.00 0.00 0.00 0.00 51.96 53.65 1ggx s ALA 164 Cb -0.02 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1ggx s ALA 164 CO 0.27 -0.22 0.10 -0.51 0.00 0.00 0.00 175.76 175.39 1ggx s LEU 165 N 0.35 4.06 0.26 0.00 1.43 -0.01 -1.63 118.68 123.14 1ggx s LEU 165 Ca -0.01 0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 1ggx s LEU 165 Cb -0.04 -2.02 -0.09 0.00 0.03 0.00 0.00 46.19 44.08 1ggx s LEU 165 CO -0.01 0.26 1.03 -0.54 0.23 0.00 0.00 176.35 177.32 1ggx s LYS 166 N -0.13 4.73 -0.14 1.70 1.02 -0.29 -0.28 119.74 126.36 1ggx s LYS 166 Ca 0.09 1.67 -0.07 0.00 0.02 0.00 0.00 55.97 57.67 1ggx s LYS 166 Cb -0.12 -3.22 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 1ggx s LYS 166 CO 0.01 0.34 0.12 -0.51 -0.92 0.00 0.00 175.35 174.38 1ggx s LEU 167 N -1.35 4.22 0.45 3.17 1.43 -0.71 0.85 118.68 126.75 1ggx s LEU 167 Ca 0.43 0.36 0.18 0.00 -1.03 0.00 0.00 54.13 54.07 1ggx s LEU 167 Cb -0.29 -2.04 1.13 0.00 0.03 0.00 0.00 46.19 45.02 1ggx s LEU 167 CO 0.37 0.34 1.94 0.11 0.23 0.00 0.00 176.35 179.35 1ggx h LYS 168 N 5.45 0.31 -0.63 1.70 1.57 -1.07 0.82 116.57 124.72 1ggx h LYS 168 Ca -0.50 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1ggx h LYS 168 Cb 1.21 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1ggx h LYS 168 CO 0.62 0.20 0.00 -0.25 -0.57 0.00 0.00 179.45 179.45 1ggx n ASP 169 N -4.45 3.73 0.00 0.86 8.00 -1.26 -5.03 116.55 118.40 1ggx n ASP 169 Ca 0.13 -2.37 0.00 0.00 0.71 0.00 0.00 54.79 53.26 1ggx n ASP 169 Cb 0.53 -0.51 0.00 0.00 -0.02 0.00 0.00 41.12 41.12 1ggx n ASP 169 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ggx n GLY 170 N 0.87 0.75 1.90 0.44 0.00 0.28 -5.11 105.19 104.31 1ggx n GLY 170 Ca 0.19 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1ggx n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ggx n GLY 171 N 1.01 -2.57 3.38 -0.02 0.00 -1.26 -4.59 105.19 101.13 1ggx n GLY 171 Ca 0.00 -1.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.04 1ggx n GLY 171 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ggx s HIS 172 N -0.48 1.90 -0.26 1.61 3.76 -1.26 -1.74 115.29 118.81 1ggx s HIS 172 Ca 0.00 -0.48 0.02 0.00 -0.15 0.00 0.00 55.06 54.45 1ggx s HIS 172 Cb 0.00 -0.88 0.05 0.00 1.11 0.00 0.00 32.58 32.86 1ggx s HIS 172 CO 0.00 0.45 -0.09 -0.47 -0.85 0.00 0.00 174.74 173.78 1ggx s TYR 173 N -2.60 3.23 0.26 1.40 5.04 0.62 -4.91 117.35 120.38 1ggx s TYR 173 Ca 0.23 -2.16 -0.24 0.00 -2.44 0.00 0.00 57.07 52.46 1ggx s TYR 173 Cb -0.03 -1.97 -0.09 0.00 0.35 0.00 0.00 41.96 40.22 1ggx s TYR 173 CO 0.09 -0.85 0.84 -0.51 -1.34 0.00 0.00 175.55 173.78 1ggx s LEU 174 N 1.15 4.40 -0.10 6.97 1.43 -1.26 -0.83 118.68 130.45 1ggx s LEU 174 Ca -0.07 1.67 -0.04 0.00 -1.03 0.00 0.00 54.13 54.65 1ggx s LEU 174 Cb -0.19 -3.73 0.05 0.00 0.03 0.00 0.00 46.19 42.35 1ggx s LEU 174 CO -0.05 0.03 0.22 -0.69 0.23 0.00 0.00 176.35 176.09 1ggx s VAL 175 N -1.48 -0.09 -0.18 -1.59 1.01 -0.78 -1.63 120.40 115.65 1ggx s VAL 175 Ca 0.45 0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.50 1ggx s VAL 175 Cb -0.19 -0.35 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 1ggx s VAL 175 CO 0.24 0.08 0.17 -0.70 0.00 0.00 0.00 175.10 174.89 1ggx s GLU 176 N 1.42 4.16 -0.13 2.72 2.12 -0.15 -1.22 118.70 127.62 1ggx s GLU 176 Ca -0.07 -0.13 -0.05 0.00 0.36 0.00 0.00 54.97 55.08 1ggx s GLU 176 Cb -0.11 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 1ggx s GLU 176 CO -0.08 0.32 0.05 -0.06 -0.54 0.00 0.00 175.26 174.95 1ggx s PHE 177 N 0.29 3.29 -0.18 5.30 0.40 0.67 -1.03 117.98 126.73 1ggx s PHE 177 Ca 0.11 0.21 -0.02 0.00 -0.60 0.00 0.00 56.93 56.62 1ggx s PHE 177 Cb -0.12 -1.94 0.05 0.00 0.51 0.00 0.00 43.02 41.53 1ggx s PHE 177 CO -0.00 0.39 0.02 0.15 0.70 0.00 0.00 175.22 176.48 1ggx s LYS 178 N -0.41 0.75 0.19 0.44 1.02 -0.35 -0.87 119.74 120.52 1ggx s LYS 178 Ca 0.09 -0.39 0.11 0.00 0.02 0.00 0.00 55.97 55.80 1ggx s LYS 178 Cb -0.12 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1ggx s LYS 178 CO 0.02 -0.58 -0.20 -1.12 -0.92 0.00 0.00 175.35 172.55 1ggx s SER 179 N 1.83 3.65 -0.10 2.83 0.01 -0.06 -0.61 113.70 121.26 1ggx s SER 179 Ca -0.00 -0.80 -0.00 0.00 1.31 0.00 0.00 55.95 56.46 1ggx s SER 179 Cb -0.16 -0.38 0.02 0.00 0.21 0.00 0.00 66.02 65.71 1ggx s SER 179 CO -0.07 0.11 -0.07 -0.63 0.41 0.00 0.00 173.24 172.99 1ggx s ILE 180 N -1.71 0.90 -0.23 1.44 1.09 -0.51 -2.10 121.20 120.08 1ggx s ILE 180 Ca 0.22 -0.24 -0.05 0.00 -1.10 0.00 0.00 60.65 59.48 1ggx s ILE 180 Cb -0.08 -0.93 -0.02 0.00 -1.06 0.00 0.00 42.46 40.37 1ggx s ILE 180 CO 0.11 0.34 0.01 -0.31 -0.10 0.00 0.00 174.94 174.99 1ggx s TYR 181 N 1.55 3.02 -0.26 3.97 2.02 0.17 -1.50 117.35 126.32 1ggx s TYR 181 Ca 0.01 -0.66 0.02 0.00 -0.37 0.00 0.00 57.07 56.07 1ggx s TYR 181 Cb -0.13 -2.16 0.07 0.00 -0.40 0.00 0.00 41.96 39.34 1ggx s TYR 181 CO -0.06 -0.43 -0.06 -1.64 -1.57 0.00 0.00 175.55 171.79 1ggx s MET 182 N 1.48 1.84 0.40 -0.62 -1.94 0.74 -2.00 119.30 119.19 1ggx s MET 182 Ca 0.06 -1.25 -0.26 0.00 -1.71 0.00 0.00 55.69 52.52 1ggx s MET 182 Cb -0.15 -2.77 -0.09 0.00 2.01 0.00 0.00 34.83 33.84 1ggx s MET 182 CO 0.00 -0.64 1.30 0.00 -0.01 0.00 0.00 175.02 175.67 1ggx s ALA 183 N 1.22 3.28 -0.37 3.03 0.00 -1.26 -0.74 121.76 126.92 1ggx s ALA 183 Ca -0.05 1.23 0.27 0.00 0.00 0.00 0.00 51.96 53.41 1ggx s ALA 183 Cb -0.19 -3.48 0.95 0.00 0.00 0.00 0.00 23.12 20.40 1ggx s ALA 183 CO -0.07 -0.79 1.79 0.87 0.00 0.00 0.00 175.76 177.56 1ggx h LYS 184 N 2.75 0.00 -4.56 0.00 1.57 -1.35 -3.42 116.57 111.56 1ggx h LYS 184 Ca -0.49 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.93 1ggx h LYS 184 Cb 1.24 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.28 1ggx h LYS 184 CO 0.63 0.00 -0.76 -1.59 -0.57 0.00 0.00 179.45 177.15 1ggx s LYS 185 N -3.35 0.58 0.18 3.15 -2.85 -1.26 -5.05 119.74 111.14 1ggx s LYS 185 Ca 0.05 -0.33 -0.32 0.00 -1.00 0.00 0.00 55.97 54.37 1ggx s LYS 185 Cb 0.09 -0.54 -0.10 0.00 -2.06 0.00 0.00 37.83 35.22 1ggx s LYS 185 CO 0.52 0.14 1.59 -1.25 0.10 0.00 0.00 175.35 176.46 1ggx s PRO 186 N -0.37 4.20 0.22 1.78 0.04 -1.26 -4.90 135.00 134.71 1ggx s PRO 186 Ca 0.01 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1ggx s PRO 186 Cb -0.04 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1ggx s PRO 186 CO -0.00 -0.63 0.16 0.14 0.04 0.00 0.00 177.00 176.71 1ggx s VAL 187 N 1.06 0.00 0.15 -0.36 -7.23 -1.26 -5.08 120.40 107.69 1ggx s VAL 187 Ca 0.70 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.56 1ggx s VAL 187 Cb -0.45 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 33.89 1ggx s VAL 187 CO 0.32 0.00 1.64 -1.58 -0.31 0.00 0.00 175.10 175.18 1ggx s GLN 188 N -4.03 4.18 0.11 4.82 0.74 -1.26 -5.01 119.66 119.22 1ggx s GLN 188 Ca 0.39 2.43 -0.02 0.00 0.05 0.00 0.00 55.36 58.21 1ggx s GLN 188 Cb 0.06 -3.26 -0.05 0.00 1.10 0.00 0.00 33.01 30.86 1ggx s GLN 188 CO 0.15 -0.68 0.31 -0.51 -0.55 0.00 0.00 175.29 174.00 1ggx s LEU 189 N 1.58 4.30 0.00 3.68 1.43 -1.26 -4.20 118.68 124.20 1ggx s LEU 189 Ca 0.73 0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 54.23 1ggx s LEU 189 Cb -0.45 -3.16 0.09 0.00 0.03 0.00 0.00 46.19 42.70 1ggx s LEU 189 CO 0.32 0.09 0.55 -0.81 0.23 0.00 0.00 176.35 176.73 1ggx n PRO 190 N 0.11 -0.21 0.00 1.29 -0.04 -1.26 -4.81 135.00 130.08 1ggx n PRO 190 Ca -0.04 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1ggx n PRO 190 Cb 0.52 -0.49 0.00 0.00 -0.04 0.00 0.00 33.50 33.49 1ggx n PRO 190 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ggx n GLY 191 N 1.20 2.20 3.64 0.55 0.00 -1.26 -4.35 105.19 107.17 1ggx n GLY 191 Ca 0.08 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 1ggx n GLY 191 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ggx s TYR 192 N 3.12 2.90 0.24 1.61 5.04 -1.26 -4.26 117.35 124.74 1ggx s TYR 192 Ca 0.00 1.03 -0.04 0.00 -2.44 0.00 0.00 57.07 55.62 1ggx s TYR 192 Cb 0.00 -3.71 0.02 0.00 0.35 0.00 0.00 41.96 38.62 1ggx s TYR 192 CO 0.00 -1.36 0.39 2.48 -1.34 0.00 0.00 175.55 175.72 1ggx n TYR 193 N 7.09 -1.37 -4.24 4.97 4.11 -0.83 -4.81 117.16 122.07 1ggx n TYR 193 Ca 0.14 -1.42 -0.17 0.00 -0.00 0.00 0.00 57.90 56.44 1ggx n TYR 193 Cb 0.46 0.44 -0.11 0.00 -0.00 0.00 0.00 39.34 40.14 1ggx n TYR 193 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 1ggx s TYR 194 N -3.98 1.38 -0.13 -3.48 1.51 0.18 -0.39 117.35 112.43 1ggx s TYR 194 Ca 0.16 -0.58 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1ggx s TYR 194 Cb -0.02 -0.72 0.04 0.00 -0.11 0.00 0.00 41.96 41.16 1ggx s TYR 194 CO 0.12 0.14 -0.02 0.08 -1.11 0.00 0.00 175.55 174.75 1ggx s VAL 195 N -2.30 0.74 0.01 0.71 1.01 -0.44 0.23 120.40 120.36 1ggx s VAL 195 Ca 0.10 -0.32 -0.17 0.00 0.00 0.00 0.00 61.98 61.59 1ggx s VAL 195 Cb -0.04 -0.96 -0.06 0.00 0.00 0.00 0.00 36.38 35.33 1ggx s VAL 195 CO 0.03 0.14 0.47 -1.81 0.00 0.00 0.00 175.10 173.93 1ggx s ASP 196 N 1.80 6.88 0.02 3.32 1.01 -0.09 -0.71 116.67 128.89 1ggx s ASP 196 Ca 0.02 1.04 -0.06 0.00 0.71 0.00 0.00 52.55 54.27 1ggx s ASP 196 Cb -0.14 -2.29 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 1ggx s ASP 196 CO -0.07 0.26 0.10 -0.44 0.21 0.00 0.00 175.17 175.23 1ggx s SER 197 N -0.85 0.11 -0.19 0.27 0.01 -0.44 -1.34 113.70 111.27 1ggx s SER 197 Ca 0.26 -0.36 -0.04 0.00 1.31 0.00 0.00 55.95 57.12 1ggx s SER 197 Cb -0.17 0.19 0.09 0.00 0.21 0.00 0.00 66.02 66.34 1ggx s SER 197 CO 0.15 -0.40 0.23 -0.75 0.41 0.00 0.00 173.24 172.87 1ggx s LYS 198 N -1.79 0.18 -0.19 12.44 2.20 -0.44 0.18 119.74 132.31 1ggx s LYS 198 Ca -0.12 0.29 -0.05 0.00 -0.36 0.00 0.00 55.97 55.73 1ggx s LYS 198 Cb -0.06 -1.02 -0.03 0.00 -1.51 0.00 0.00 37.83 35.21 1ggx s LYS 198 CO -0.01 -0.60 -0.00 -1.17 -0.36 0.00 0.00 175.35 173.21 1ggx s LEU 199 N 2.34 3.33 0.02 5.43 0.20 -1.26 -2.06 118.68 126.67 1ggx s LEU 199 Ca 0.06 -0.15 0.09 0.00 0.69 0.00 0.00 54.13 54.82 1ggx s LEU 199 Cb -0.15 -1.83 -0.02 0.00 -0.43 0.00 0.00 46.19 43.75 1ggx s LEU 199 CO -0.11 0.11 -0.26 -1.81 -0.29 0.00 0.00 176.35 173.98 1ggx s ASP 200 N 0.74 3.09 -0.46 3.68 1.01 0.69 -4.57 116.67 120.85 1ggx s ASP 200 Ca 0.00 -0.54 -0.23 0.00 0.71 0.00 0.00 52.55 52.49 1ggx s ASP 200 Cb -0.14 -0.31 0.03 0.00 1.01 0.00 0.00 42.92 43.51 1ggx s ASP 200 CO 0.02 0.28 0.79 -0.63 0.21 0.00 0.00 175.17 175.84 1ggx s ILE 201 N -0.72 4.63 -0.26 0.77 -1.09 -1.26 -0.86 121.20 122.42 1ggx s ILE 201 Ca 0.11 0.39 0.19 0.00 -2.23 0.00 0.00 60.65 59.11 1ggx s ILE 201 Cb -0.10 -4.34 0.11 0.00 -1.58 0.00 0.00 42.46 36.55 1ggx s ILE 201 CO 0.01 -0.75 1.32 0.71 -1.23 0.00 0.00 174.94 175.00 1ggx h THR 202 N 5.98 0.36 -2.49 2.92 1.35 -1.46 -3.48 112.91 116.10 1ggx h THR 202 Ca -0.25 -1.56 0.06 0.00 -0.55 0.00 0.00 66.41 64.11 1ggx h THR 202 Cb 1.08 2.05 -0.15 0.00 -1.73 0.00 0.00 68.15 69.41 1ggx h THR 202 CO 0.97 0.21 0.39 -0.94 -0.25 0.00 0.00 175.52 175.90 1ggx s SER 203 N -6.06 -0.45 -0.28 5.36 1.04 -1.20 -4.97 113.70 107.15 1ggx s SER 203 Ca 0.03 0.04 -0.26 0.00 0.48 0.00 0.00 55.95 56.24 1ggx s SER 203 Cb 0.07 0.46 0.16 0.00 0.10 0.00 0.00 66.02 66.81 1ggx s SER 203 CO 0.74 -0.73 1.25 -1.38 0.98 0.00 0.00 173.24 174.10 1ggx s HIS 204 N -3.18 -0.22 0.80 5.02 -0.00 -1.26 -1.53 115.29 114.92 1ggx s HIS 204 Ca 0.03 0.51 -0.14 0.00 -0.00 0.00 0.00 55.06 55.46 1ggx s HIS 204 Cb -0.01 0.44 0.18 0.00 -0.00 0.00 0.00 32.58 33.20 1ggx s HIS 204 CO -0.09 -0.13 1.08 0.27 -0.00 0.00 0.00 174.74 175.87 1ggx n ASN 205 N 1.55 0.05 -0.37 7.38 0.23 -0.92 -4.94 115.26 118.24 1ggx n ASN 205 Ca -0.10 -1.38 0.02 0.00 -0.53 0.00 0.00 54.58 52.59 1ggx n ASN 205 Cb 0.57 -0.83 0.17 0.00 -2.08 0.00 0.00 39.78 37.61 1ggx n ASN 205 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1ggx h GLU 206 N 0.00 1.17 -0.62 -3.83 4.22 -2.02 -2.97 114.58 110.53 1ggx h GLU 206 Ca -0.35 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.02 1ggx h GLU 206 Cb 0.96 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ggx h GLU 206 CO 0.25 0.77 0.00 -0.40 -2.18 0.00 0.00 179.01 177.45 1ggx n ASP 207 N -4.48 3.98 -3.62 1.04 5.68 -1.26 -4.98 116.55 112.91 1ggx n ASP 207 Ca 0.15 -2.16 -0.23 0.00 -0.50 0.00 0.00 54.79 52.04 1ggx n ASP 207 Cb 0.15 -0.47 0.07 0.00 -1.14 0.00 0.00 41.12 39.74 1ggx n ASP 207 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1ggx n TYR 208 N 1.19 -2.53 0.73 2.11 4.02 -1.12 -4.46 117.16 117.10 1ggx n TYR 208 Ca 0.22 0.96 0.10 0.00 -0.01 0.00 0.00 57.90 59.17 1ggx n TYR 208 Cb 0.67 -4.82 -0.12 0.00 -0.02 0.00 0.00 39.34 35.04 1ggx n TYR 208 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1ggx n THR 209 N -4.68 0.00 -3.67 -0.72 -2.24 -1.26 -4.78 114.28 96.93 1ggx n THR 209 Ca -0.09 -0.13 -0.25 0.00 -2.27 0.00 0.00 64.05 61.31 1ggx n THR 209 Cb 0.59 0.78 -0.17 0.00 -2.10 0.00 0.00 70.33 69.43 1ggx n THR 209 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1ggx s ILE 210 N -3.02 0.15 0.03 2.28 1.01 -1.26 -0.44 121.20 119.94 1ggx s ILE 210 Ca 0.04 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.53 1ggx s ILE 210 Cb 0.15 -0.66 -0.02 0.00 0.01 0.00 0.00 42.46 41.94 1ggx s ILE 210 CO 0.83 -0.14 -0.07 -0.69 0.00 0.00 0.00 174.94 174.87 1ggx s VAL 211 N 2.04 0.50 0.03 2.92 1.01 -0.44 -2.17 120.40 124.30 1ggx s VAL 211 Ca 0.02 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.31 1ggx s VAL 211 Cb -0.15 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1ggx s VAL 211 CO -0.08 -0.20 -0.25 -1.61 0.00 0.00 0.00 175.10 172.96 1ggx s GLU 212 N -1.05 1.78 0.11 2.72 2.02 -0.58 0.94 118.70 124.64 1ggx s GLU 212 Ca -0.05 -1.05 0.04 0.00 0.02 0.00 0.00 54.97 53.92 1ggx s GLU 212 Cb -0.07 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 1ggx s GLU 212 CO 0.00 0.50 -0.10 -0.65 0.02 0.00 0.00 175.26 175.03 1ggx s GLN 213 N -1.13 0.89 -0.02 1.61 -0.21 0.96 -1.13 119.66 120.64 1ggx s GLN 213 Ca 0.11 -1.23 0.01 0.00 0.02 0.00 0.00 55.36 54.27 1ggx s GLN 213 Cb -0.10 -0.54 0.01 0.00 1.00 0.00 0.00 33.01 33.39 1ggx s GLN 213 CO 0.02 0.08 -0.03 -0.47 -2.12 0.00 0.00 175.29 172.76 1ggx s TYR 214 N -2.70 0.43 -0.02 0.91 5.04 -0.04 -1.73 117.35 119.25 1ggx s TYR 214 Ca 0.08 -0.07 0.01 0.00 -2.44 0.00 0.00 57.07 54.65 1ggx s TYR 214 Cb -0.01 -0.38 0.01 0.00 0.35 0.00 0.00 41.96 41.93 1ggx s TYR 214 CO -0.00 -0.08 -0.03 -2.00 -1.34 0.00 0.00 175.55 172.10 1ggx s GLU 215 N 0.45 0.48 -0.14 4.97 2.12 -0.56 -0.23 118.70 125.79 1ggx s GLU 215 Ca -0.05 -0.07 -0.01 0.00 0.36 0.00 0.00 54.97 55.21 1ggx s GLU 215 Cb -0.08 -0.53 -0.01 0.00 0.26 0.00 0.00 34.13 33.76 1ggx s GLU 215 CO -0.01 -0.03 -0.12 0.50 -0.54 0.00 0.00 175.26 175.07 1ggx s ARG 216 N 0.54 3.38 -0.14 4.30 3.52 -0.87 -2.38 118.95 127.29 1ggx s ARG 216 Ca -0.06 -0.68 -0.07 0.00 -0.13 0.00 0.00 55.73 54.79 1ggx s ARG 216 Cb -0.09 -2.68 0.06 0.00 -1.56 0.00 0.00 34.95 30.67 1ggx s ARG 216 CO -0.01 0.16 0.32 -0.08 -0.81 0.00 0.00 175.30 174.89 1ggx s THR 217 N 0.50 -0.09 0.01 4.11 -1.32 -0.15 -1.33 115.64 117.36 1ggx s THR 217 Ca -0.09 0.14 0.01 0.00 -1.21 0.00 0.00 61.69 60.54 1ggx s THR 217 Cb -0.16 -0.50 -0.01 0.00 -1.51 0.00 0.00 72.50 70.33 1ggx s THR 217 CO 0.04 0.06 -0.03 -1.61 -2.21 0.00 0.00 174.62 170.87 1ggx s GLU 218 N 1.47 0.25 0.26 7.08 2.02 -0.45 -2.36 118.70 126.98 1ggx s GLU 218 Ca -0.08 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1ggx s GLU 218 Cb -0.10 -0.14 -0.04 0.00 0.10 0.00 0.00 34.13 33.96 1ggx s GLU 218 CO -0.11 0.03 0.45 0.20 0.02 0.00 0.00 175.26 175.86 1ggx s GLY 219 N -0.52 1.57 0.07 -1.39 0.00 0.80 -0.92 107.32 106.93 1ggx s GLY 219 Ca -0.04 -0.89 -0.27 0.00 0.00 0.00 0.00 44.72 43.52 1ggx s GLY 219 CO -0.00 -0.84 0.97 1.09 0.00 0.00 0.00 173.10 174.32 1ggx s ARG 220 N -3.76 0.95 0.62 2.90 1.70 0.13 -4.41 118.95 117.08 1ggx s ARG 220 Ca 0.39 -0.47 -0.09 0.00 -0.47 0.00 0.00 55.73 55.09 1ggx s ARG 220 Cb -0.10 0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 34.63 1ggx s ARG 220 CO 0.31 -0.43 0.99 -1.01 -1.08 0.00 0.00 175.30 174.08 1ggx s HIS 221 N -3.12 3.46 0.49 5.89 3.76 -1.26 -0.65 115.29 123.86 1ggx s HIS 221 Ca 0.10 1.03 -0.23 0.00 -0.15 0.00 0.00 55.06 55.80 1ggx s HIS 221 Cb -0.01 -2.76 -0.07 0.00 1.11 0.00 0.00 32.58 30.85 1ggx s HIS 221 CO -0.03 -0.80 1.26 1.58 -0.85 0.00 0.00 174.74 175.91 1ggx n HIS 222 N -2.72 2.01 0.00 1.40 -0.00 -1.26 -4.64 115.22 110.01 1ggx n HIS 222 Ca 0.05 0.47 0.00 0.00 0.46 0.00 0.00 57.72 58.70 1ggx n HIS 222 Cb 0.56 -2.34 0.00 0.00 -0.12 0.00 0.00 29.99 28.09 1ggx n HIS 222 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1ggx n LEU 223 N -0.33 0.00 -4.27 0.27 4.77 -1.26 -4.62 117.00 111.57 1ggx n LEU 223 Ca 0.09 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.69 1ggx n LEU 223 Cb 0.42 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 1ggx n LEU 223 CO 0.56 0.00 -0.11 0.49 -1.33 0.00 0.00 177.39 177.00 1ggx n PHE 224 N -0.11 -1.38 0.00 -1.77 3.72 -1.26 -5.32 117.46 111.33 1ggx n PHE 224 Ca 0.00 0.65 0.00 0.00 -0.05 0.00 0.00 57.45 58.05 1ggx n PHE 224 Cb 0.00 -2.08 0.00 0.00 -0.94 0.00 0.00 39.48 36.46 1ggx n PHE 224 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99