#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xgy s VAL 2 N 0.00 5.03 -0.00 5.09 1.01 -1.26 -3.33 120.40 126.94 1xgy s VAL 2 Ca 0.00 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 62.78 1xgy s VAL 2 Cb 0.00 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 1xgy s VAL 2 CO 0.00 -0.00 0.04 -1.10 0.00 0.00 0.00 175.10 174.03 1xgy s GLN 3 N 2.39 0.20 -0.20 2.72 -0.21 0.24 -4.98 119.66 119.83 1xgy s GLN 3 Ca 0.22 -0.22 0.01 0.00 0.02 0.00 0.00 55.36 55.39 1xgy s GLN 3 Cb -0.15 0.08 0.04 0.00 1.00 0.00 0.00 33.01 33.98 1xgy s GLN 3 CO 0.10 -0.04 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.61 1xgy s LEU 4 N -0.67 2.33 -0.44 2.90 1.43 -1.26 -1.50 118.68 121.47 1xgy s LEU 4 Ca -0.07 -0.89 -0.13 0.00 -1.03 0.00 0.00 54.13 52.00 1xgy s LEU 4 Cb -0.05 -1.27 0.06 0.00 0.03 0.00 0.00 46.19 44.97 1xgy s LEU 4 CO -0.00 -0.14 0.33 -1.58 0.23 0.00 0.00 176.35 175.19 1xgy s GLN 5 N 1.37 2.86 0.61 1.70 2.00 0.16 -4.14 119.66 124.22 1xgy s GLN 5 Ca -0.01 -1.30 -0.08 0.00 -2.00 0.00 0.00 55.36 51.97 1xgy s GLN 5 Cb -0.16 -3.98 -0.00 0.00 0.80 0.00 0.00 33.01 29.67 1xgy s GLN 5 CO -0.08 -0.93 0.96 -0.65 -0.50 0.00 0.00 175.29 174.08 1xgy s GLN 6 N 1.58 3.09 1.25 1.67 -0.21 -1.26 -0.75 119.66 125.03 1xgy s GLN 6 Ca 0.04 0.26 -0.15 0.00 0.02 0.00 0.00 55.36 55.53 1xgy s GLN 6 Cb -0.23 -2.19 0.31 0.00 1.00 0.00 0.00 33.01 31.91 1xgy s GLN 6 CO 0.06 -0.70 1.00 -1.12 -2.12 0.00 0.00 175.29 172.41 1xgy s SER 7 N -4.27 0.33 0.85 5.90 0.01 0.58 -4.90 113.70 112.19 1xgy s SER 7 Ca 0.54 1.31 -0.05 0.00 1.31 0.00 0.00 55.95 59.06 1xgy s SER 7 Cb -0.11 -2.01 0.10 0.00 0.21 0.00 0.00 66.02 64.21 1xgy s SER 7 CO 0.48 -4.57 0.59 0.61 0.41 0.00 0.00 173.24 170.75 1xgy n GLY 8 N 0.96 -0.64 3.77 3.44 0.00 -1.26 -4.58 105.19 106.88 1xgy n GLY 8 Ca 0.05 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.87 1xgy n GLY 8 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xgy s PRO 9 N -4.16 4.17 -0.02 1.61 0.02 -1.26 -4.58 135.00 130.78 1xgy s PRO 9 Ca 0.35 2.49 0.04 0.00 0.02 0.00 0.00 61.00 63.90 1xgy s PRO 9 Cb -0.01 -3.00 -0.01 0.00 0.02 0.00 0.00 34.50 31.50 1xgy s PRO 9 CO 0.24 -0.47 -0.14 -1.21 -0.33 0.00 0.00 177.00 175.09 1xgy s GLU 10 N -1.78 1.25 -0.19 5.54 0.41 -1.09 -4.97 118.70 117.87 1xgy s GLU 10 Ca 0.53 -0.51 0.01 0.00 -0.41 0.00 0.00 54.97 54.60 1xgy s GLU 10 Cb -0.45 -1.17 0.03 0.00 -1.78 0.00 0.00 34.13 30.76 1xgy s GLU 10 CO 0.59 0.28 -0.16 -1.17 -0.49 0.00 0.00 175.26 174.31 1xgy s LEU 11 N -0.22 2.25 0.11 1.80 2.96 -1.26 -0.63 118.68 123.68 1xgy s LEU 11 Ca 0.03 -0.76 0.04 0.00 -0.22 0.00 0.00 54.13 53.22 1xgy s LEU 11 Cb -0.07 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1xgy s LEU 11 CO -0.00 -0.06 -0.11 0.68 -1.32 0.00 0.00 176.35 175.53 1xgy s VAL 12 N 1.33 1.06 0.09 1.68 -7.23 0.10 -4.96 120.40 112.47 1xgy s VAL 12 Ca 0.02 -1.67 -0.21 0.00 -1.81 0.00 0.00 61.98 58.31 1xgy s VAL 12 Cb -0.15 -1.42 -0.07 0.00 0.56 0.00 0.00 36.38 35.31 1xgy s VAL 12 CO -0.11 -0.52 0.63 -0.13 -0.31 0.00 0.00 175.10 174.66 1xgy s ARG 13 N -2.77 4.30 0.25 4.82 1.81 -1.26 -1.83 118.95 124.27 1xgy s ARG 13 Ca 0.07 0.85 -0.31 0.00 -1.72 0.00 0.00 55.73 54.62 1xgy s ARG 13 Cb -0.03 -3.25 -0.13 0.00 -0.45 0.00 0.00 34.95 31.08 1xgy s ARG 13 CO 0.01 0.61 1.34 -0.35 -0.68 0.00 0.00 175.30 176.23 1xgy n PRO 14 N 1.74 1.92 0.00 3.54 -0.04 -1.26 -1.44 135.00 139.46 1xgy n PRO 14 Ca -0.09 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1xgy n PRO 14 Cb 0.50 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 1xgy n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xgy n GLY 15 N 1.87 3.19 3.31 0.55 0.00 0.13 -4.93 105.19 109.31 1xgy n GLY 15 Ca 0.11 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 1xgy n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xgy s ALA 16 N -0.06 -0.60 0.07 4.61 0.00 -0.52 -3.47 121.76 121.78 1xgy s ALA 16 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1xgy s ALA 16 Cb 0.00 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1xgy s ALA 16 CO 0.00 -4.58 -0.08 -1.54 0.00 0.00 0.00 175.76 169.56 1xgy s SER 17 N -3.32 1.12 0.03 0.00 1.04 -1.26 -0.51 113.70 110.79 1xgy s SER 17 Ca 0.69 -0.77 0.05 0.00 0.48 0.00 0.00 55.95 56.40 1xgy s SER 17 Cb -0.11 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 1xgy s SER 17 CO 0.57 -0.30 -0.15 0.68 0.98 0.00 0.00 173.24 175.01 1xgy s VAL 18 N -2.38 1.21 -0.19 5.02 -7.23 0.22 -4.98 120.40 112.07 1xgy s VAL 18 Ca 0.01 -0.93 -0.01 0.00 -1.81 0.00 0.00 61.98 59.24 1xgy s VAL 18 Cb -0.03 -1.07 0.00 0.00 0.56 0.00 0.00 36.38 35.84 1xgy s VAL 18 CO -0.01 0.12 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.02 1xgy s LYS 19 N -0.94 3.22 -0.11 4.82 2.20 -1.26 -1.05 119.74 126.61 1xgy s LYS 19 Ca 0.04 -0.72 -0.04 0.00 -0.36 0.00 0.00 55.97 54.88 1xgy s LYS 19 Cb -0.07 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 1xgy s LYS 19 CO 0.01 -0.13 0.05 0.42 -0.36 0.00 0.00 175.35 175.33 1xgy s ILE 20 N 1.22 4.70 0.31 5.43 1.09 -0.26 -4.96 121.20 128.72 1xgy s ILE 20 Ca 0.02 -0.09 0.07 0.00 -1.10 0.00 0.00 60.65 59.55 1xgy s ILE 20 Cb -0.14 -3.02 -0.03 0.00 -1.06 0.00 0.00 42.46 38.21 1xgy s ILE 20 CO -0.05 0.58 0.27 -0.94 -0.10 0.00 0.00 174.94 174.70 1xgy s SER 21 N -0.69 5.40 -0.41 3.58 1.04 -1.26 -1.59 113.70 119.77 1xgy s SER 21 Ca 0.12 -0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.20 1xgy s SER 21 Cb -0.12 -1.12 0.17 0.00 0.10 0.00 0.00 66.02 65.05 1xgy s SER 21 CO 0.02 -0.26 0.52 0.00 0.98 0.00 0.00 173.24 174.50 1xgy s LYS 23 N 1.42 4.46 0.10 0.00 2.20 0.07 -1.56 119.74 126.44 1xgy s LYS 23 Ca 0.19 1.17 0.03 0.00 -0.36 0.00 0.00 55.97 57.01 1xgy s LYS 23 Cb -0.08 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1xgy s LYS 23 CO -0.05 -0.09 0.12 0.00 -0.36 0.00 0.00 175.35 174.96 1xgy s ALA 24 N 1.25 3.63 -0.04 3.13 0.00 0.28 -0.67 121.76 129.35 1xgy s ALA 24 Ca 0.45 -1.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.15 1xgy s ALA 24 Cb -0.19 -1.47 0.04 0.00 0.00 0.00 0.00 23.12 21.50 1xgy s ALA 24 CO 0.21 0.69 0.47 -1.54 0.00 0.00 0.00 175.76 175.59 1xgy s SER 25 N -2.61 -0.39 0.00 0.00 1.04 -0.56 -4.78 113.70 106.39 1xgy s SER 25 Ca 0.30 0.38 0.00 0.00 0.48 0.00 0.00 55.95 57.12 1xgy s SER 25 Cb -0.12 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1xgy s SER 25 CO 0.23 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1xgy n GLY 26 N 1.19 0.16 3.37 7.32 0.00 -1.21 -0.59 105.19 115.43 1xgy n GLY 26 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 1xgy n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xgy s TYR 27 N -2.00 -0.25 -0.57 1.61 -0.85 -1.26 -4.52 117.35 109.50 1xgy s TYR 27 Ca 0.00 -0.05 -0.27 0.00 -0.52 0.00 0.00 57.07 56.23 1xgy s TYR 27 Cb 0.00 0.33 -0.02 0.00 0.38 0.00 0.00 41.96 42.65 1xgy s TYR 27 CO 0.00 -0.76 1.90 0.99 -1.52 0.00 0.00 175.55 176.16 1xgy s THR 28 N -3.81 3.34 0.26 -3.49 2.01 -1.26 -4.84 115.64 107.85 1xgy s THR 28 Ca 0.04 0.22 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 1xgy s THR 28 Cb 0.01 -3.84 0.31 0.00 0.01 0.00 0.00 72.50 68.99 1xgy s THR 28 CO -0.11 -0.79 1.62 0.15 -0.69 0.00 0.00 174.62 174.81 1xgy h PHE 29 N 15.14 -0.08 0.00 4.92 3.57 -1.95 -2.52 116.94 136.01 1xgy h PHE 29 Ca -0.26 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.29 1xgy h PHE 29 Cb 1.17 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 40.08 1xgy h PHE 29 CO 1.03 -0.28 -0.01 1.79 -2.23 0.00 0.00 178.31 178.61 1xgy h THR 30 N 0.08 0.33 -0.67 4.41 1.35 -1.92 -3.17 112.91 113.32 1xgy h THR 30 Ca 0.45 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.27 1xgy h THR 30 Cb 0.80 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1xgy h THR 30 CO -0.73 0.01 0.00 0.47 -0.25 0.00 0.00 175.52 175.02 1xgy n ASP 31 N -3.55 3.81 -3.89 5.36 8.00 -0.95 -1.42 116.55 123.92 1xgy n ASP 31 Ca -0.03 -2.08 -0.18 0.00 0.71 0.00 0.00 54.79 53.21 1xgy n ASP 31 Cb 0.09 -0.48 -0.16 0.00 -0.02 0.00 0.00 41.12 40.55 1xgy n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1xgy s TYR 32 N -1.22 0.56 0.62 1.24 1.51 -1.20 -5.05 117.35 113.80 1xgy s TYR 32 Ca 0.46 -0.12 -0.18 0.00 -1.01 0.00 0.00 57.07 56.22 1xgy s TYR 32 Cb 0.25 -0.51 -0.04 0.00 -0.11 0.00 0.00 41.96 41.55 1xgy s TYR 32 CO 0.30 -0.13 1.05 0.66 -1.11 0.00 0.00 175.55 176.32 1xgy n TYR 33 N 3.83 1.12 -3.96 2.71 4.02 -1.26 -4.43 117.16 119.18 1xgy n TYR 33 Ca -0.23 0.43 -0.29 0.00 -0.01 0.00 0.00 57.90 57.79 1xgy n TYR 33 Cb 0.52 -2.17 -0.16 0.00 -0.02 0.00 0.00 39.34 37.51 1xgy n TYR 33 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1xgy s ILE 34 N -1.48 1.42 0.15 -0.72 1.01 -0.87 -2.18 121.20 118.53 1xgy s ILE 34 Ca 0.78 -0.79 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 1xgy s ILE 34 Cb -0.41 -1.50 -0.06 0.00 0.01 0.00 0.00 42.46 40.50 1xgy s ILE 34 CO 0.45 0.21 0.45 0.20 0.00 0.00 0.00 174.94 176.25 1xgy s ASN 35 N 1.50 6.60 -0.11 3.58 0.01 0.34 -2.30 114.94 124.56 1xgy s ASN 35 Ca 0.01 0.78 0.03 0.00 -0.71 0.00 0.00 52.86 52.97 1xgy s ASN 35 Cb -0.15 -2.17 -0.00 0.00 0.41 0.00 0.00 41.25 39.34 1xgy s ASN 35 CO -0.08 0.05 -0.21 0.26 -1.51 0.00 0.00 177.10 175.60 1xgy s TRP 36 N -1.63 2.63 0.16 2.20 0.52 0.23 0.62 118.94 123.66 1xgy s TRP 36 Ca 0.41 -0.99 0.09 0.00 0.02 0.00 0.00 56.10 55.63 1xgy s TRP 36 Cb -0.12 -1.75 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 1xgy s TRP 36 CO 0.21 -0.40 -0.21 0.08 0.02 0.00 0.00 176.95 176.66 1xgy s VAL 37 N 0.40 1.96 -0.11 4.03 1.01 -0.44 0.65 120.40 127.90 1xgy s VAL 37 Ca -0.16 -1.85 0.03 0.00 0.00 0.00 0.00 61.98 60.00 1xgy s VAL 37 Cb -0.17 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1xgy s VAL 37 CO 0.07 -0.18 -0.20 -0.75 0.00 0.00 0.00 175.10 174.04 1xgy s LYS 38 N -2.51 2.70 -0.24 2.72 2.20 0.22 -1.33 119.74 123.50 1xgy s LYS 38 Ca 0.15 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 55.02 1xgy s LYS 38 Cb -0.08 -2.16 0.06 0.00 -1.51 0.00 0.00 37.83 34.14 1xgy s LYS 38 CO 0.07 0.03 -0.06 -1.14 -0.36 0.00 0.00 175.35 173.89 1xgy s GLN 39 N 0.71 1.67 -0.14 4.03 0.74 -0.13 -0.38 119.66 126.16 1xgy s GLN 39 Ca -0.11 -1.02 -0.10 0.00 0.05 0.00 0.00 55.36 54.18 1xgy s GLN 39 Cb -0.16 -2.61 -0.05 0.00 1.10 0.00 0.00 33.01 31.29 1xgy s GLN 39 CO 0.02 -0.60 0.19 1.03 -0.55 0.00 0.00 175.29 175.38 1xgy s ARG 40 N 1.37 3.87 0.34 1.67 0.52 -1.26 -1.75 118.95 123.71 1xgy s ARG 40 Ca -0.06 -0.07 0.26 0.00 -0.52 0.00 0.00 55.73 55.34 1xgy s ARG 40 Cb -0.19 -3.31 1.13 0.00 0.52 0.00 0.00 34.95 33.10 1xgy s ARG 40 CO -0.06 0.52 1.15 -2.30 0.02 0.00 0.00 175.30 174.63 1xgy n PRO 41 N 2.75 -0.02 -0.24 3.54 -0.02 -1.26 0.22 135.00 139.97 1xgy n PRO 41 Ca -0.17 0.90 0.10 0.00 -2.02 0.00 0.00 63.50 62.31 1xgy n PRO 41 Cb 0.53 -1.83 0.23 0.00 -0.02 0.00 0.00 33.50 32.41 1xgy n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xgy n GLY 42 N -1.43 2.12 0.00 -1.23 0.00 -1.26 -5.00 105.19 98.38 1xgy n GLY 42 Ca 0.30 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1xgy n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xgy n GLN 43 N 1.24 2.90 0.00 1.61 1.13 0.13 -5.16 117.38 119.23 1xgy n GLN 43 Ca 0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 1xgy n GLN 43 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.89 1xgy n GLN 43 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xgy n GLY 44 N 4.36 2.62 3.56 1.08 0.00 -1.26 -4.75 105.19 110.80 1xgy n GLY 44 Ca 0.00 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.80 1xgy n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xgy s LEU 45 N 0.00 3.90 -0.25 0.99 1.43 -1.26 -4.16 118.68 119.33 1xgy s LEU 45 Ca 0.00 -0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 52.96 1xgy s LEU 45 Cb 0.00 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1xgy s LEU 45 CO 0.00 -0.04 0.11 -0.70 0.23 0.00 0.00 176.35 175.95 1xgy s GLU 46 N 1.71 3.83 -0.21 1.70 2.12 0.49 -4.90 118.70 123.43 1xgy s GLU 46 Ca 0.07 -0.39 -0.29 0.00 0.36 0.00 0.00 54.97 54.72 1xgy s GLU 46 Cb -0.16 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 1xgy s GLU 46 CO 0.09 -0.10 1.29 -0.46 -0.54 0.00 0.00 175.26 175.55 1xgy s TRP 47 N 1.43 2.76 -0.09 5.30 -0.00 -1.26 0.69 118.94 127.77 1xgy s TRP 47 Ca 0.06 0.94 -0.25 0.00 -0.00 0.00 0.00 56.10 56.85 1xgy s TRP 47 Cb -0.15 -3.66 -0.29 0.00 -0.00 0.00 0.00 33.47 29.38 1xgy s TRP 47 CO 0.06 -1.76 0.82 0.82 -0.00 0.00 0.00 176.95 176.89 1xgy h ILE 48 N 5.67 1.62 0.00 5.86 1.08 -0.13 -3.41 117.51 128.20 1xgy h ILE 48 Ca -0.27 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 61.75 1xgy h ILE 48 Cb 1.10 3.27 0.00 0.00 -3.07 0.00 0.00 36.82 38.12 1xgy h ILE 48 CO 0.99 0.67 0.00 0.61 -0.69 0.00 0.00 178.15 179.73 1xgy n GLY 49 N 1.64 -2.72 3.25 5.37 0.00 -1.20 -1.29 105.19 110.25 1xgy n GLY 49 Ca -0.13 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.41 1xgy n GLY 49 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1xgy s TRP 50 N -2.02 1.25 -0.02 1.61 1.48 -0.31 -0.60 118.94 120.32 1xgy s TRP 50 Ca 0.00 -1.11 -0.01 0.00 -1.06 0.00 0.00 56.10 53.91 1xgy s TRP 50 Cb 0.00 -0.71 0.01 0.00 -1.16 0.00 0.00 33.47 31.61 1xgy s TRP 50 CO 0.00 -0.31 0.04 -1.50 -4.06 0.00 0.00 176.95 171.12 1xgy s ILE 51 N -3.77 -0.01 -0.40 0.66 2.07 -0.97 -1.74 121.20 117.04 1xgy s ILE 51 Ca 0.29 0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.40 1xgy s ILE 51 Cb 0.07 -0.07 0.01 0.00 0.13 0.00 0.00 42.46 42.60 1xgy s ILE 51 CO 0.07 0.01 0.30 0.12 -1.91 0.00 0.00 174.94 173.53 1xgy s PHE 52 N 0.12 3.23 0.24 3.50 5.36 -0.45 -2.06 117.98 127.92 1xgy s PHE 52 Ca -0.01 -0.49 -0.08 0.00 -0.96 0.00 0.00 56.93 55.39 1xgy s PHE 52 Cb -0.01 -2.60 0.40 0.00 -0.34 0.00 0.00 43.02 40.47 1xgy s PHE 52 CO -0.00 -0.56 1.64 -1.35 -1.46 0.00 0.00 175.22 173.49 1xgy h PRO 52 N 8.61 0.11 0.02 10.12 0.11 -1.78 0.19 132.00 149.38 1xgy h PRO 52 Ca -0.28 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.84 1xgy h PRO 52 Cb 1.13 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1xgy h PRO 52 CO 0.72 0.07 -0.27 -0.09 -0.21 0.00 0.00 178.00 178.22 1xgy h ARG 53 N 0.11 -0.33 -0.52 1.05 2.43 -1.53 -3.08 114.38 112.51 1xgy h ARG 53 Ca 0.39 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.59 1xgy h ARG 53 Cb 0.68 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1xgy h ARG 53 CO -0.63 -0.22 0.00 0.27 -1.51 0.00 0.00 179.97 177.88 1xgy n ASN 54 N -3.96 4.68 -1.60 -3.80 0.23 -1.21 -4.95 115.26 104.64 1xgy n ASN 54 Ca -0.04 -2.66 -0.14 0.00 -0.53 0.00 0.00 54.58 51.21 1xgy n ASN 54 Cb 0.20 -0.57 -0.05 0.00 -2.08 0.00 0.00 39.78 37.28 1xgy n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xgy n GLY 55 N 0.58 1.03 3.68 4.83 0.00 0.67 -4.93 105.19 111.05 1xgy n GLY 55 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1xgy n GLY 55 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xgy n ASN 56 N -0.86 0.79 -3.66 1.61 4.05 -1.19 -4.71 115.26 111.29 1xgy n ASN 56 Ca -0.15 0.54 -0.12 0.00 0.45 0.00 0.00 54.58 55.30 1xgy n ASN 56 Cb 0.50 -1.50 -0.08 0.00 1.23 0.00 0.00 39.78 39.94 1xgy n ASN 56 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1xgy s THR 57 N -2.26 -0.00 -0.03 -0.44 -1.32 -1.26 -1.35 115.64 108.98 1xgy s THR 57 Ca 0.71 0.01 0.03 0.00 -1.21 0.00 0.00 61.69 61.23 1xgy s THR 57 Cb -0.27 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.85 1xgy s THR 57 CO 0.53 0.00 -0.10 -0.75 -2.21 0.00 0.00 174.62 172.09 1xgy s LYS 58 N 0.64 1.05 0.34 7.08 2.20 -0.71 -5.01 119.74 125.33 1xgy s LYS 58 Ca -0.02 -0.35 0.09 0.00 -0.36 0.00 0.00 55.97 55.33 1xgy s LYS 58 Cb -0.05 -0.97 -0.06 0.00 -1.51 0.00 0.00 37.83 35.24 1xgy s LYS 58 CO -0.04 0.14 -0.01 0.71 -0.36 0.00 0.00 175.35 175.80 1xgy s TYR 59 N 0.13 2.52 -0.38 4.03 1.51 -1.26 -1.16 117.35 122.74 1xgy s TYR 59 Ca -0.03 -0.45 -0.18 0.00 -1.01 0.00 0.00 57.07 55.40 1xgy s TYR 59 Cb -0.08 -1.47 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 1xgy s TYR 59 CO 0.01 0.49 0.53 1.21 -1.11 0.00 0.00 175.55 176.68 1xgy s ASN 60 N -3.70 6.30 0.09 2.29 3.84 -0.41 -4.93 114.94 118.42 1xgy s ASN 60 Ca 0.34 -0.18 0.01 0.00 0.21 0.00 0.00 52.86 53.25 1xgy s ASN 60 Cb 0.00 -2.27 0.23 0.00 -0.55 0.00 0.00 41.25 38.66 1xgy s ASN 60 CO 0.19 -0.55 0.43 -0.62 -2.79 0.00 0.00 177.10 173.76 1xgy n GLU 61 N 5.82 -0.02 0.31 0.43 -0.58 -1.26 0.29 120.64 125.63 1xgy n GLU 61 Ca -0.04 0.41 0.18 0.00 -0.42 0.00 0.00 57.16 57.28 1xgy n GLU 61 Cb 0.48 -0.66 0.97 0.00 -0.57 0.00 0.00 31.44 31.67 1xgy n GLU 61 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1xgy h LYS 62 N 0.00 0.00 -1.72 3.49 1.57 -1.95 0.45 116.57 118.41 1xgy h LYS 62 Ca 0.18 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.32 1xgy h LYS 62 Cb 0.38 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.31 1xgy h LYS 62 CO -0.25 0.00 -0.30 1.19 -0.57 0.00 0.00 179.45 179.52 1xgy n PHE 63 N -2.86 3.38 0.00 -1.35 3.01 0.82 -4.93 117.46 115.52 1xgy n PHE 63 Ca -0.02 -3.03 0.00 0.00 1.01 0.00 0.00 57.45 55.41 1xgy n PHE 63 Cb 0.18 -0.38 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 1xgy n PHE 63 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1xgy n LYS 64 N -0.46 0.00 -0.78 -1.08 2.85 0.15 -3.83 118.16 115.01 1xgy n LYS 64 Ca 0.41 0.12 0.02 0.00 -1.05 0.00 0.00 58.31 57.81 1xgy n LYS 64 Cb 0.53 -0.58 0.19 0.00 -0.65 0.00 0.00 35.03 34.52 1xgy n LYS 64 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1xgy n GLY 65 N -0.25 5.28 0.06 2.58 0.00 -1.26 -4.67 105.19 106.92 1xgy n GLY 65 Ca 0.00 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.51 1xgy n GLY 65 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xgy n LYS 66 N -1.07 0.37 -3.46 1.61 3.00 -1.25 -4.95 118.16 112.41 1xgy n LYS 66 Ca 0.23 0.38 -0.38 0.00 -0.00 0.00 0.00 58.31 58.54 1xgy n LYS 66 Cb 0.75 -1.41 -0.06 0.00 0.00 0.00 0.00 35.03 34.30 1xgy n LYS 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1xgy s ALA 67 N -2.83 3.66 -0.12 3.14 0.00 -1.25 -4.06 121.76 120.30 1xgy s ALA 67 Ca -0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 51.60 1xgy s ALA 67 Cb 0.02 -2.44 0.03 0.00 0.00 0.00 0.00 23.12 20.74 1xgy s ALA 67 CO 0.22 0.40 -0.05 0.99 0.00 0.00 0.00 175.76 177.33 1xgy s THR 68 N -0.81 0.86 -0.07 0.00 2.01 0.13 -4.91 115.64 112.86 1xgy s THR 68 Ca 0.24 -0.28 -0.13 0.00 0.31 0.00 0.00 61.69 61.83 1xgy s THR 68 Cb -0.17 -0.98 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 1xgy s THR 68 CO 0.13 0.26 0.33 -0.76 -0.69 0.00 0.00 174.62 173.89 1xgy s LEU 69 N 1.76 4.40 0.17 4.42 1.43 -1.26 -0.59 118.68 129.01 1xgy s LEU 69 Ca 0.04 0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1xgy s LEU 69 Cb -0.13 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.61 1xgy s LEU 69 CO -0.07 0.27 0.12 0.42 0.23 0.00 0.00 176.35 177.32 1xgy s THR 70 N -0.63 0.04 -0.00 5.49 -4.23 -0.42 -5.01 115.64 110.88 1xgy s THR 70 Ca 0.20 -1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 58.77 1xgy s THR 70 Cb -0.15 -2.28 -0.00 0.00 1.34 0.00 0.00 72.50 71.41 1xgy s THR 70 CO 0.09 -0.20 0.04 -0.69 -0.54 0.00 0.00 174.62 173.32 1xgy s VAL 71 N -4.10 0.04 -0.54 2.29 1.01 -1.26 -1.04 120.40 116.80 1xgy s VAL 71 Ca 0.32 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1xgy s VAL 71 Cb 0.07 -0.18 0.14 0.00 0.00 0.00 0.00 36.38 36.40 1xgy s VAL 71 CO 0.07 -0.20 0.31 -0.62 0.00 0.00 0.00 175.10 174.66 1xgy s ASP 72 N -0.61 4.79 0.32 3.32 -1.08 0.41 -4.97 116.67 118.85 1xgy s ASP 72 Ca -0.07 -2.80 0.09 0.00 -0.52 0.00 0.00 52.55 49.25 1xgy s ASP 72 Cb -0.04 -1.74 0.89 0.00 -1.46 0.00 0.00 42.92 40.57 1xgy s ASP 72 CO -0.00 -0.32 1.69 0.11 0.52 0.00 0.00 175.17 177.17 1xgy h LYS 73 N 6.92 0.41 0.00 4.34 1.57 -1.91 -0.04 116.57 127.87 1xgy h LYS 73 Ca -0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xgy h LYS 73 Cb 0.94 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1xgy h LYS 73 CO 0.68 0.27 0.00 -1.13 -0.57 0.00 0.00 179.45 178.71 1xgy n SER 74 N -5.01 0.00 0.00 0.86 3.41 -1.26 -2.46 113.62 109.16 1xgy n SER 74 Ca 0.27 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1xgy n SER 74 Cb 0.79 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1xgy n SER 74 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xgy n SER 75 N -1.16 0.54 -3.67 4.04 7.64 -0.08 -4.97 113.62 115.97 1xgy n SER 75 Ca 0.08 -0.98 -0.27 0.00 1.01 0.00 0.00 58.87 58.71 1xgy n SER 75 Cb 0.08 0.02 0.03 0.00 -1.01 0.00 0.00 64.21 63.32 1xgy n SER 75 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xgy n SER 76 N -0.02 -5.00 -4.39 6.43 7.64 -0.90 -4.54 113.62 112.84 1xgy n SER 76 Ca 0.00 -0.62 -0.32 0.00 1.01 0.00 0.00 58.87 58.94 1xgy n SER 76 Cb 0.11 -4.01 -0.15 0.00 -1.01 0.00 0.00 64.21 59.15 1xgy n SER 76 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1xgy s THR 77 N -3.22 2.51 0.07 0.44 2.01 -1.16 0.10 115.64 116.40 1xgy s THR 77 Ca 0.57 -0.97 0.09 0.00 0.31 0.00 0.00 61.69 61.69 1xgy s THR 77 Cb -0.28 -1.94 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 1xgy s THR 77 CO 0.70 0.56 -0.23 0.00 -0.69 0.00 0.00 174.62 174.96 1xgy s ALA 78 N -0.69 2.44 0.07 7.40 0.00 -0.60 -0.44 121.76 129.94 1xgy s ALA 78 Ca 0.11 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.81 1xgy s ALA 78 Cb -0.10 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1xgy s ALA 78 CO 0.00 0.55 -0.14 -0.06 0.00 0.00 0.00 175.76 176.12 1xgy s PHE 79 N -0.95 1.21 -0.07 0.00 0.40 -0.21 -0.42 117.98 117.94 1xgy s PHE 79 Ca 0.14 -0.44 0.02 0.00 -0.60 0.00 0.00 56.93 56.05 1xgy s PHE 79 Cb -0.10 -0.68 0.01 0.00 0.51 0.00 0.00 43.02 42.76 1xgy s PHE 79 CO 0.05 0.05 -0.11 1.41 0.70 0.00 0.00 175.22 177.32 1xgy s MET 80 N -1.63 1.61 -0.16 0.44 1.75 -0.62 -1.30 119.30 119.38 1xgy s MET 80 Ca -0.02 -0.37 0.01 0.00 -1.25 0.00 0.00 55.69 54.06 1xgy s MET 80 Cb -0.10 -1.36 0.01 0.00 2.84 0.00 0.00 34.83 36.22 1xgy s MET 80 CO 0.02 -0.00 -0.19 -1.14 -0.65 0.00 0.00 175.02 173.06 1xgy s GLN 81 N 0.75 3.06 0.39 4.11 0.74 0.24 -1.11 119.66 127.85 1xgy s GLN 81 Ca -0.13 -0.81 0.08 0.00 0.05 0.00 0.00 55.36 54.54 1xgy s GLN 81 Cb -0.15 -2.56 -0.01 0.00 1.10 0.00 0.00 33.01 31.39 1xgy s GLN 81 CO 0.03 -0.10 0.43 -0.51 -0.55 0.00 0.00 175.29 174.59 1xgy s LEU 82 N 1.05 3.58 -0.53 3.68 1.43 -0.22 -0.69 118.68 126.98 1xgy s LEU 82 Ca -0.01 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.49 1xgy s LEU 82 Cb -0.14 -2.35 0.07 0.00 0.03 0.00 0.00 46.19 43.79 1xgy s LEU 82 CO -0.06 -0.61 0.17 -0.24 0.23 0.00 0.00 176.35 175.84 1xgy n SER 82 N -1.62 -0.53 -4.51 2.29 2.88 -1.11 -0.61 113.62 110.41 1xgy n SER 82 Ca 0.04 -0.35 -0.52 0.00 -1.33 0.00 0.00 58.87 56.71 1xgy n SER 82 Cb 0.60 -0.46 -0.05 0.00 -0.75 0.00 0.00 64.21 63.55 1xgy n SER 82 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xgy n LEU 82 N -1.51 0.37 -4.22 2.46 4.77 0.33 -4.50 117.00 114.71 1xgy n LEU 82 Ca 0.03 1.14 -0.13 0.00 -0.03 0.00 0.00 56.01 57.02 1xgy n LEU 82 Cb 0.13 -1.06 -0.10 0.00 -2.33 0.00 0.00 43.42 40.06 1xgy n LEU 82 CO 0.27 -1.90 -0.41 -0.89 -1.33 0.00 0.00 177.39 173.13 1xgy s THR 83 N -0.32 1.02 0.44 -5.08 2.01 -1.26 -0.69 115.64 111.76 1xgy s THR 83 Ca 0.77 -1.94 0.37 0.00 0.31 0.00 0.00 61.69 61.21 1xgy s THR 83 Cb -1.00 -1.70 0.37 0.00 0.01 0.00 0.00 72.50 70.18 1xgy s THR 83 CO 0.55 -0.73 2.15 0.77 -0.69 0.00 0.00 174.62 176.66 1xgy h SER 84 N 3.01 0.00 0.56 3.53 4.64 -1.96 0.43 113.55 123.76 1xgy h SER 84 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 1xgy h SER 84 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1xgy h SER 84 CO 0.61 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.95 1xgy n GLU 85 N -2.84 0.10 0.00 4.77 -0.58 -1.26 -2.13 120.64 118.70 1xgy n GLU 85 Ca -0.02 0.14 0.11 0.00 -0.42 0.00 0.00 57.16 56.97 1xgy n GLU 85 Cb 0.09 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.52 1xgy n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1xgy n ASP 86 N -1.42 1.30 -4.66 1.62 8.00 0.15 -4.88 116.55 116.66 1xgy n ASP 86 Ca 0.06 -1.06 -0.42 0.00 0.71 0.00 0.00 54.79 54.08 1xgy n ASP 86 Cb 0.20 0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 41.83 1xgy n ASP 86 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1xgy s SER 87 N -2.73 6.53 -0.06 -2.24 0.01 -0.91 -4.85 113.70 109.45 1xgy s SER 87 Ca 0.15 2.52 -0.30 0.00 1.31 0.00 0.00 55.95 59.63 1xgy s SER 87 Cb 0.18 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.97 1xgy s SER 87 CO 0.68 -1.00 1.34 0.00 0.41 0.00 0.00 173.24 174.67 1xgy s ALA 88 N 4.07 -2.66 -0.06 1.44 0.00 -0.74 -4.83 121.76 118.98 1xgy s ALA 88 Ca 0.82 0.12 -0.07 0.00 0.00 0.00 0.00 51.96 52.83 1xgy s ALA 88 Cb -0.40 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 1xgy s ALA 88 CO 0.37 -1.17 0.20 0.08 0.00 0.00 0.00 175.76 175.24 1xgy s VAL 89 N -2.01 5.41 -0.27 0.00 1.01 -0.72 -1.06 120.40 122.75 1xgy s VAL 89 Ca 0.31 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1xgy s VAL 89 Cb -0.00 -3.49 0.07 0.00 0.00 0.00 0.00 36.38 32.96 1xgy s VAL 89 CO -0.02 0.50 -0.02 -0.31 0.00 0.00 0.00 175.10 175.25 1xgy s TYR 90 N -1.15 2.78 0.34 5.22 1.51 -0.65 -0.95 117.35 124.44 1xgy s TYR 90 Ca 0.21 -2.14 -0.04 0.00 -1.01 0.00 0.00 57.07 54.09 1xgy s TYR 90 Cb -0.13 -1.97 -0.05 0.00 -0.11 0.00 0.00 41.96 39.71 1xgy s TYR 90 CO 0.10 -0.85 0.61 -0.06 -1.11 0.00 0.00 175.55 174.24 1xgy s PHE 91 N 1.26 3.49 -0.10 2.71 0.40 -0.44 -3.36 117.98 121.94 1xgy s PHE 91 Ca -0.01 0.63 0.02 0.00 -0.60 0.00 0.00 56.93 56.97 1xgy s PHE 91 Cb -0.19 -2.11 0.02 0.00 0.51 0.00 0.00 43.02 41.24 1xgy s PHE 91 CO -0.09 0.07 -0.14 0.00 0.70 0.00 0.00 175.22 175.76 1xgy s ALA 93 N 1.02 1.46 0.30 0.00 0.00 0.20 -0.20 121.76 124.53 1xgy s ALA 93 Ca -0.07 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.14 1xgy s ALA 93 Cb -0.15 -0.99 -0.06 0.00 0.00 0.00 0.00 23.12 21.92 1xgy s ALA 93 CO -0.02 -0.51 0.60 -0.08 0.00 0.00 0.00 175.76 175.75 1xgy s THR 94 N 1.65 4.96 -0.54 0.00 -1.32 -0.86 0.13 115.64 119.66 1xgy s THR 94 Ca 0.04 0.25 -0.07 0.00 -1.21 0.00 0.00 61.69 60.70 1xgy s THR 94 Cb -0.13 -3.71 0.14 0.00 -1.51 0.00 0.00 72.50 67.29 1xgy s THR 94 CO -0.08 -0.31 0.39 -0.89 -2.21 0.00 0.00 174.62 171.51 1xgy s THR 95 N -2.09 4.02 -0.14 5.08 2.01 -0.93 -2.47 115.64 121.13 1xgy s THR 95 Ca 0.46 -2.25 -0.13 0.00 0.31 0.00 0.00 61.69 60.08 1xgy s THR 95 Cb -0.11 -3.64 -0.10 0.00 0.01 0.00 0.00 72.50 68.66 1xgy s THR 95 CO 0.28 -0.81 0.14 0.58 -0.69 0.00 0.00 174.62 174.11 1xgy h VAL 96 N 5.80 0.53 0.00 3.82 2.07 -1.94 -3.40 116.25 123.13 1xgy h VAL 96 Ca -0.11 -1.50 -0.20 0.00 0.82 0.00 0.00 66.70 65.71 1xgy h VAL 96 Cb 1.03 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 1xgy h VAL 96 CO 0.77 0.18 -1.69 -1.20 0.02 0.00 0.00 177.57 175.65 1xgy n SER 97 N -4.62 1.76 -4.02 0.57 7.64 -1.26 -5.05 113.62 108.64 1xgy n SER 97 Ca -0.11 0.07 -0.14 0.00 1.01 0.00 0.00 58.87 59.70 1xgy n SER 97 Cb 0.32 -0.30 -0.12 0.00 -1.01 0.00 0.00 64.21 63.10 1xgy n SER 97 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xgy s TYR 98 N -2.23 0.57 -0.26 1.43 1.51 -1.26 -5.09 117.35 112.02 1xgy s TYR 98 Ca -0.17 -0.36 -0.23 0.00 -1.01 0.00 0.00 57.07 55.30 1xgy s TYR 98 Cb 0.06 -0.35 -0.10 0.00 -0.11 0.00 0.00 41.96 41.46 1xgy s TYR 98 CO 0.24 -0.06 0.94 0.28 -1.11 0.00 0.00 175.55 175.84 1xgy n VAL 99 N 1.98 0.00 -3.90 0.71 0.31 -1.26 -1.66 118.33 114.51 1xgy n VAL 99 Ca -0.19 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.85 1xgy n VAL 99 Cb 0.56 -0.26 -0.00 0.00 -0.91 0.00 0.00 33.84 33.23 1xgy n VAL 99 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1xgy n MET 100 N 2.84 -2.38 -0.03 5.55 2.81 -1.21 -4.86 117.12 119.84 1xgy n MET 100 Ca 0.21 0.38 0.12 0.00 -1.81 0.00 0.00 57.70 56.61 1xgy n MET 100 Cb -0.03 -4.22 0.51 0.00 -0.71 0.00 0.00 33.22 28.77 1xgy n MET 100 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 1xgy n ASP 101 N -2.83 1.24 -3.60 7.83 5.75 -0.66 -4.70 116.55 119.58 1xgy n ASP 101 Ca -0.24 -1.53 -0.20 0.00 -0.01 0.00 0.00 54.79 52.82 1xgy n ASP 101 Cb 0.65 -0.04 -0.15 0.00 -1.03 0.00 0.00 41.12 40.54 1xgy n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1xgy s TYR 102 N -1.91 -0.07 0.07 2.11 1.51 -1.20 -4.99 117.35 112.88 1xgy s TYR 102 Ca 0.35 0.17 0.03 0.00 -1.01 0.00 0.00 57.07 56.61 1xgy s TYR 102 Cb 0.19 -0.45 -0.04 0.00 -0.11 0.00 0.00 41.96 41.55 1xgy s TYR 102 CO 0.29 -0.44 0.07 -1.58 -1.11 0.00 0.00 175.55 172.79 1xgy s TRP 103 N 2.24 3.18 1.01 2.71 0.52 -1.26 -2.02 118.94 125.31 1xgy s TRP 103 Ca 0.04 0.08 -0.17 0.00 0.02 0.00 0.00 56.10 56.07 1xgy s TRP 103 Cb -0.14 -1.62 0.24 0.00 -1.15 0.00 0.00 33.47 30.79 1xgy s TRP 103 CO -0.08 0.52 1.26 0.41 0.02 0.00 0.00 176.95 179.07 1xgy n GLY 104 N 0.52 -1.75 0.21 0.98 0.00 0.72 -4.71 105.19 101.17 1xgy n GLY 104 Ca -0.09 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.34 1xgy n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1xgy h GLN 105 N 0.00 0.00 -2.07 1.61 1.08 -1.88 -3.45 115.11 110.39 1xgy h GLN 105 Ca -0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.78 1xgy h GLN 105 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 1xgy h GLN 105 CO 0.29 0.28 0.00 0.41 -0.95 0.00 0.00 178.83 178.86 1xgy n GLY 106 N -0.08 0.49 3.43 3.46 0.00 -1.26 -5.04 105.19 106.18 1xgy n GLY 106 Ca -0.01 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 1xgy n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xgy n THR 107 N -0.87 0.00 -3.81 2.61 -1.04 -1.21 -4.63 114.28 105.33 1xgy n THR 107 Ca 0.00 -0.20 -0.30 0.00 -2.04 0.00 0.00 64.05 61.51 1xgy n THR 107 Cb 0.35 -0.71 -0.14 0.00 -1.82 0.00 0.00 70.33 68.00 1xgy n THR 107 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1xgy s THR 108 N -2.40 1.49 -0.13 12.58 2.01 -1.26 -1.64 115.64 126.29 1xgy s THR 108 Ca 0.59 -2.11 -0.27 0.00 0.31 0.00 0.00 61.69 60.22 1xgy s THR 108 Cb -0.20 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 1xgy s THR 108 CO 0.65 -0.73 0.87 -0.69 -0.69 0.00 0.00 174.62 174.03 1xgy s VAL 109 N 0.93 4.87 -0.17 3.82 1.01 -0.23 -2.69 120.40 127.95 1xgy s VAL 109 Ca 0.13 1.75 0.01 0.00 0.00 0.00 0.00 61.98 63.87 1xgy s VAL 109 Cb -0.20 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.01 1xgy s VAL 109 CO -0.12 0.06 -0.20 -0.89 0.00 0.00 0.00 175.10 173.95 1xgy s THR 110 N 1.87 2.03 -0.27 3.92 2.01 0.20 -1.79 115.64 123.60 1xgy s THR 110 Ca 0.42 -0.93 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 1xgy s THR 110 Cb -0.17 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.51 1xgy s THR 110 CO 0.16 0.54 0.04 0.68 -0.69 0.00 0.00 174.62 175.34 1xgy s VAL 111 N 1.21 3.76 0.06 3.82 -7.23 -1.25 0.00 120.40 120.77 1xgy s VAL 111 Ca 0.03 -0.62 -0.21 0.00 -1.81 0.00 0.00 61.98 59.36 1xgy s VAL 111 Cb -0.13 -2.86 0.05 0.00 0.56 0.00 0.00 36.38 33.99 1xgy s VAL 111 CO -0.11 0.20 0.51 -0.55 -0.31 0.00 0.00 175.10 174.84 1xgy s SER 112 N 1.49 -0.42 0.00 4.85 0.15 -0.76 -4.56 113.70 114.45 1xgy s SER 112 Ca 0.03 0.10 0.20 0.00 0.70 0.00 0.00 55.95 56.99 1xgy s SER 112 Cb -0.16 0.49 0.12 0.00 -1.71 0.00 0.00 66.02 64.76 1xgy s SER 112 CO 0.01 -0.75 1.11 -1.54 1.20 0.00 0.00 173.24 173.27 1xgy n SER 113 N 0.30 2.50 -4.74 5.45 3.41 -1.26 -4.21 113.62 115.06 1xgy n SER 113 Ca -0.18 -1.75 -0.36 0.00 -0.26 0.00 0.00 58.87 56.32 1xgy n SER 113 Cb 0.61 0.12 0.06 0.00 -0.26 0.00 0.00 64.21 64.74 1xgy n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xgy s ALA 114 N -1.85 2.38 0.09 7.33 0.00 -1.26 -5.03 121.76 123.43 1xgy s ALA 114 Ca 0.22 1.05 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 1xgy s ALA 114 Cb 0.17 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 1xgy s ALA 114 CO 0.32 -1.49 0.31 0.21 0.00 0.00 0.00 175.76 175.11 1xgy s LYS 115 N -3.50 3.57 0.07 0.00 2.47 -1.26 -5.01 119.74 116.08 1xgy s LYS 115 Ca 0.78 -0.17 -0.31 0.00 -1.56 0.00 0.00 55.97 54.71 1xgy s LYS 115 Cb -0.33 -2.95 -0.11 0.00 -1.46 0.00 0.00 37.83 32.99 1xgy s LYS 115 CO 0.38 0.54 1.87 2.41 0.16 0.00 0.00 175.35 180.72 1xgy n THR 116 N 0.36 0.50 -4.67 3.43 -1.04 -1.26 -4.70 114.28 106.89 1xgy n THR 116 Ca -0.05 -0.09 -0.24 0.00 -2.04 0.00 0.00 64.05 61.63 1xgy n THR 116 Cb 0.52 -2.11 -0.16 0.00 -1.82 0.00 0.00 70.33 66.76 1xgy n THR 116 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1xgy s THR 117 N 3.35 1.18 0.29 12.58 -4.23 -0.64 -4.97 115.64 123.20 1xgy s THR 117 Ca 0.85 -0.59 -0.29 0.00 -1.18 0.00 0.00 61.69 60.48 1xgy s THR 117 Cb -0.51 -1.02 -0.10 0.00 1.34 0.00 0.00 72.50 72.21 1xgy s THR 117 CO 0.41 0.35 1.24 -2.84 -0.54 0.00 0.00 174.62 173.24 1xgy s PRO 118 N 0.03 4.45 0.29 3.99 0.02 -1.26 -2.72 135.00 139.80 1xgy s PRO 118 Ca -0.02 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 62.77 1xgy s PRO 118 Cb -0.10 -3.13 -0.10 0.00 0.02 0.00 0.00 34.50 31.20 1xgy s PRO 118 CO 0.01 -0.07 1.22 -1.25 -0.33 0.00 0.00 177.00 176.58 1xgy s PRO 119 N -1.43 4.48 -0.41 5.54 0.04 -1.26 -4.67 135.00 137.28 1xgy s PRO 119 Ca 0.49 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 63.40 1xgy s PRO 119 Cb -0.37 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.06 1xgy s PRO 119 CO 0.47 -0.03 0.30 -1.12 0.04 0.00 0.00 177.00 176.66 1xgy s SER 120 N -0.51 6.07 -0.38 6.66 0.01 -0.54 -4.91 113.70 120.11 1xgy s SER 120 Ca 0.48 -0.97 -0.14 0.00 1.31 0.00 0.00 55.95 56.63 1xgy s SER 120 Cb -0.36 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1xgy s SER 120 CO 0.46 -0.47 0.28 -0.69 0.41 0.00 0.00 173.24 173.23 1xgy s VAL 121 N 1.66 5.26 -0.11 3.43 1.01 -1.26 -0.73 120.40 129.66 1xgy s VAL 121 Ca 0.04 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1xgy s VAL 121 Cb -0.20 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1xgy s VAL 121 CO 0.09 -0.18 0.00 -0.31 0.00 0.00 0.00 175.10 174.71 1xgy s TYR 122 N 1.74 3.15 0.35 5.22 2.02 -0.17 -4.94 117.35 124.73 1xgy s TYR 122 Ca 0.06 0.11 -0.26 0.00 -0.37 0.00 0.00 57.07 56.62 1xgy s TYR 122 Cb -0.18 -1.84 -0.09 0.00 -0.40 0.00 0.00 41.96 39.45 1xgy s TYR 122 CO 0.10 0.37 1.05 -1.25 -1.57 0.00 0.00 175.55 174.25 1xgy s PRO 123 N -0.58 4.36 -0.53 -1.71 0.04 -1.26 -1.28 135.00 134.04 1xgy s PRO 123 Ca 0.10 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 1xgy s PRO 123 Cb -0.12 -2.77 0.14 0.00 0.04 0.00 0.00 34.50 31.79 1xgy s PRO 123 CO 0.02 0.02 0.32 -0.51 0.04 0.00 0.00 177.00 176.89 1xgy s LEU 124 N -2.20 5.09 -0.06 -3.56 1.43 0.33 -4.89 118.68 114.82 1xgy s LEU 124 Ca 0.53 -2.58 -0.02 0.00 -1.03 0.00 0.00 54.13 51.02 1xgy s LEU 124 Cb -0.25 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1xgy s LEU 124 CO 0.31 -0.40 0.06 0.00 0.23 0.00 0.00 176.35 176.55 1xgy s ALA 125 N 0.33 3.53 0.13 4.21 0.00 -1.26 -0.89 121.76 127.81 1xgy s ALA 125 Ca 0.14 -0.80 -0.34 0.00 0.00 0.00 0.00 51.96 50.96 1xgy s ALA 125 Cb -0.22 -1.62 -0.17 0.00 0.00 0.00 0.00 23.12 21.11 1xgy s ALA 125 CO -0.03 0.64 0.98 -2.30 0.00 0.00 0.00 175.76 175.04 1xgy n PRO 126 N 1.70 0.55 0.00 0.00 -0.02 -1.26 -4.87 135.00 131.10 1xgy n PRO 126 Ca -0.17 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1xgy n PRO 126 Cb 0.53 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.44 1xgy n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xgy n GLY 127 N 1.86 -2.71 3.14 -1.23 0.00 -1.26 -4.59 105.19 100.39 1xgy n GLY 127 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1xgy n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xgy s SER 128 N -1.95 4.92 0.05 1.61 0.01 -1.26 -4.80 113.70 112.28 1xgy s SER 128 Ca 0.00 -1.55 0.08 0.00 1.31 0.00 0.00 55.95 55.79 1xgy s SER 128 Cb 0.00 -1.72 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 1xgy s SER 128 CO 0.00 -0.33 -0.23 0.00 0.41 0.00 0.00 173.24 173.09 1xgy s ALA 129 N 1.18 1.95 0.00 1.44 0.00 -1.26 -5.08 121.76 119.98 1xgy s ALA 129 Ca -0.01 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.79 1xgy s ALA 129 Cb -0.20 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1xgy s ALA 129 CO -0.03 0.44 0.00 2.41 0.00 0.00 0.00 175.76 178.58 1xgy n THR 132 N 1.70 0.00 -0.05 0.00 -1.04 -1.26 -5.23 114.28 108.40 1xgy n THR 132 Ca -0.17 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.80 1xgy n THR 132 Cb 0.53 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.07 1xgy n THR 132 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1xgy n ASN 133 N -0.70 -1.74 -0.02 8.00 3.02 -1.26 -5.01 115.26 117.55 1xgy n ASN 133 Ca 0.00 -0.09 0.06 0.00 -0.03 0.00 0.00 54.58 54.52 1xgy n ASN 133 Cb 0.00 -0.13 -0.13 0.00 -0.61 0.00 0.00 39.78 38.92 1xgy n ASN 133 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xgy n SER 134 N -2.32 1.19 -4.42 6.41 3.41 -1.26 -4.90 113.62 111.74 1xgy n SER 134 Ca 0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.33 1xgy n SER 134 Cb 0.06 1.65 -0.13 0.00 -0.26 0.00 0.00 64.21 65.53 1xgy n SER 134 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1xgy s MET 135 N -3.06 1.71 -0.01 4.33 -1.94 -1.26 -2.33 119.30 116.75 1xgy s MET 135 Ca -0.06 -1.18 0.05 0.00 -1.71 0.00 0.00 55.69 52.78 1xgy s MET 135 Cb 0.10 -2.03 -0.01 0.00 2.01 0.00 0.00 34.83 34.90 1xgy s MET 135 CO 0.69 0.49 -0.15 0.54 -0.01 0.00 0.00 175.02 176.57 1xgy s VAL 136 N -1.00 1.17 -0.17 -6.03 0.11 0.16 -4.77 120.40 109.87 1xgy s VAL 136 Ca 0.15 -0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 58.52 1xgy s VAL 136 Cb -0.10 -0.98 -0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1xgy s VAL 136 CO 0.06 0.31 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.13 1xgy s THR 137 N -0.38 2.89 0.41 5.04 2.01 -1.26 -0.73 115.64 123.62 1xgy s THR 137 Ca 0.05 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.44 1xgy s THR 137 Cb -0.06 -2.25 -0.06 0.00 0.01 0.00 0.00 72.50 70.14 1xgy s THR 137 CO -0.00 0.50 0.10 -0.76 -0.69 0.00 0.00 174.62 173.76 1xgy s LEU 138 N 0.91 3.01 0.28 4.42 1.43 -0.23 -4.55 118.68 123.95 1xgy s LEU 138 Ca -0.03 -1.21 -0.20 0.00 -1.03 0.00 0.00 54.13 51.66 1xgy s LEU 138 Cb -0.15 -1.20 0.04 0.00 0.03 0.00 0.00 46.19 44.91 1xgy s LEU 138 CO -0.01 -0.50 0.80 -0.83 0.23 0.00 0.00 176.35 176.05 1xgy s GLY 139 N -3.82 0.03 0.02 -3.19 0.00 -0.07 -0.79 107.32 99.51 1xgy s GLY 139 Ca 0.38 -0.37 0.03 0.00 0.00 0.00 0.00 44.72 44.77 1xgy s GLY 139 CO 0.20 0.04 -0.09 0.00 0.00 0.00 0.00 173.10 173.26 1xgy s LEU 141 N -0.88 2.99 -0.67 0.00 2.96 -0.40 -0.71 118.68 121.97 1xgy s LEU 141 Ca -0.02 -0.68 -0.14 0.00 -0.22 0.00 0.00 54.13 53.07 1xgy s LEU 141 Cb -0.06 -1.67 0.17 0.00 0.50 0.00 0.00 46.19 45.12 1xgy s LEU 141 CO 0.00 -0.08 0.61 -0.69 -1.32 0.00 0.00 176.35 174.88 1xgy s VAL 142 N 1.38 5.30 -0.05 1.68 1.01 -0.12 -1.00 120.40 128.59 1xgy s VAL 142 Ca 0.03 -2.02 -0.04 0.00 0.00 0.00 0.00 61.98 59.95 1xgy s VAL 142 Cb -0.15 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1xgy s VAL 142 CO -0.05 -0.94 0.16 -0.75 0.00 0.00 0.00 175.10 173.52 1xgy s LYS 143 N 0.86 3.41 -0.81 2.72 2.20 0.09 -2.10 119.74 126.11 1xgy s LYS 143 Ca 0.11 -0.26 -0.01 0.00 -0.36 0.00 0.00 55.97 55.45 1xgy s LYS 143 Cb -0.20 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1xgy s LYS 143 CO -0.03 0.71 0.64 0.41 -0.36 0.00 0.00 175.35 176.72 1xgy n GLY 144 N 1.36 -1.28 3.48 5.54 0.00 -0.99 -1.46 105.19 111.84 1xgy n GLY 144 Ca -0.14 0.56 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 1xgy n GLY 144 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xgy s TYR 145 N -3.00 2.10 -0.28 1.61 -0.85 -0.24 -4.49 117.35 112.20 1xgy s TYR 145 Ca 0.01 -0.79 -0.24 0.00 -0.52 0.00 0.00 57.07 55.54 1xgy s TYR 145 Cb -0.00 -1.34 0.13 0.00 0.38 0.00 0.00 41.96 41.13 1xgy s TYR 145 CO 0.85 0.22 1.03 0.12 -1.52 0.00 0.00 175.55 176.25 1xgy s PHE 146 N -3.04 -0.48 0.00 -3.49 5.36 -1.10 -0.06 117.98 115.16 1xgy s PHE 146 Ca 0.34 1.13 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 1xgy s PHE 146 Cb 0.07 0.37 0.00 0.00 -0.34 0.00 0.00 43.02 43.12 1xgy s PHE 146 CO 0.15 -0.23 0.00 -0.35 -1.46 0.00 0.00 175.22 173.33 1xgy n PRO 147 N 2.43 2.12 -2.33 10.12 -0.04 -1.26 -1.63 135.00 144.41 1xgy n PRO 147 Ca -0.13 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.03 1xgy n PRO 147 Cb 0.56 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.02 1xgy n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1xgy s GLU 148 N 1.04 3.62 0.00 0.54 2.02 -1.26 -4.80 118.70 119.85 1xgy s GLU 148 Ca 0.00 0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.49 1xgy s GLU 148 Cb 0.00 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1xgy s GLU 148 CO 0.00 -0.34 0.00 -0.35 0.02 0.00 0.00 175.26 174.59 1xgy n PRO 149 N -2.32 2.09 -3.83 0.39 -0.04 -1.26 -4.97 135.00 125.06 1xgy n PRO 149 Ca 0.03 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.37 1xgy n PRO 149 Cb 0.54 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.87 1xgy n PRO 149 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xgy s VAL 150 N 0.44 -0.00 -0.23 0.52 -7.23 -1.26 -4.47 120.40 108.17 1xgy s VAL 150 Ca 0.00 0.01 -0.07 0.00 -1.81 0.00 0.00 61.98 60.12 1xgy s VAL 150 Cb 0.00 -0.15 -0.03 0.00 0.56 0.00 0.00 36.38 36.76 1xgy s VAL 150 CO 0.00 0.00 0.05 -0.89 -0.31 0.00 0.00 175.10 173.95 1xgy s THR 151 N 0.12 4.27 -0.07 5.32 2.01 -0.17 -4.93 115.64 122.18 1xgy s THR 151 Ca -0.01 -0.19 0.00 0.00 0.31 0.00 0.00 61.69 61.80 1xgy s THR 151 Cb -0.01 -2.97 -0.03 0.00 0.01 0.00 0.00 72.50 69.50 1xgy s THR 151 CO -0.00 0.38 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.56 1xgy s VAL 152 N 1.26 3.79 0.09 3.82 1.01 -1.26 -1.27 120.40 127.84 1xgy s VAL 152 Ca 0.04 -0.44 -0.09 0.00 0.00 0.00 0.00 61.98 61.49 1xgy s VAL 152 Cb -0.15 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.68 1xgy s VAL 152 CO 0.03 0.60 0.20 0.42 0.00 0.00 0.00 175.10 176.35 1xgy s THR 153 N -0.77 0.14 -0.12 3.92 -4.23 -0.91 -4.96 115.64 108.70 1xgy s THR 153 Ca 0.12 -1.12 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1xgy s THR 153 Cb -0.11 -1.30 -0.00 0.00 1.34 0.00 0.00 72.50 72.43 1xgy s THR 153 CO 0.02 -0.62 -0.20 0.26 -0.54 0.00 0.00 174.62 173.54 1xgy s TRP 154 N -3.76 2.68 -1.21 3.99 0.52 -1.26 0.11 118.94 120.01 1xgy s TRP 154 Ca 0.04 -1.01 -0.09 0.00 0.02 0.00 0.00 56.10 55.06 1xgy s TRP 154 Cb 0.04 -1.79 -0.01 0.00 -1.15 0.00 0.00 33.47 30.56 1xgy s TRP 154 CO -0.11 -0.42 0.75 0.09 0.02 0.00 0.00 176.95 177.28 1xgy n ASN 155 N 3.72 -3.53 -1.42 2.95 3.02 0.24 -1.21 115.26 119.03 1xgy n ASN 155 Ca -0.19 -0.89 -0.14 0.00 -0.03 0.00 0.00 54.58 53.33 1xgy n ASN 155 Cb 0.52 -3.91 -0.06 0.00 -0.61 0.00 0.00 39.78 35.73 1xgy n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1xgy n SER 156 N -2.93 -3.70 0.00 6.41 7.64 -1.26 -1.68 113.62 118.08 1xgy n SER 156 Ca -0.19 0.35 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1xgy n SER 156 Cb 0.64 -3.43 0.00 0.00 -1.01 0.00 0.00 64.21 60.41 1xgy n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xgy n GLY 157 N -0.27 2.98 0.31 0.23 0.00 -0.35 -4.94 105.19 103.16 1xgy n GLY 157 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 1xgy n GLY 157 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xgy h SER 158 N 0.14 0.92 -0.74 1.61 4.64 -1.34 -2.99 113.55 115.79 1xgy h SER 158 Ca 0.00 -0.02 -0.72 0.00 -0.47 0.00 0.00 61.79 60.57 1xgy h SER 158 Cb 0.00 -0.23 -0.08 0.00 -0.31 0.00 0.00 62.40 61.78 1xgy h SER 158 CO 0.00 0.66 2.77 -0.11 -0.87 0.00 0.00 176.83 179.29 1xgy n LEU 159 N -4.53 7.61 -1.13 5.97 7.94 -1.03 -4.46 117.00 127.37 1xgy n LEU 159 Ca 0.08 -4.56 0.12 0.00 -1.11 0.00 0.00 56.01 50.54 1xgy n LEU 159 Cb 0.02 -1.49 0.20 0.00 0.53 0.00 0.00 43.42 42.67 1xgy n LEU 159 CO 0.36 1.70 0.69 -1.54 -1.11 0.00 0.00 177.39 177.49 1xgy n SER 160 N 3.57 3.41 0.00 1.96 3.41 -1.13 -4.40 113.62 120.44 1xgy n SER 160 Ca 0.58 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.20 1xgy n SER 160 Cb 0.30 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1xgy n SER 160 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xgy n SER 161 N 1.48 0.00 -3.64 4.04 3.41 -1.26 -4.10 113.62 113.54 1xgy n SER 161 Ca 0.19 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.42 1xgy n SER 161 Cb 0.61 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.55 1xgy n SER 161 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xgy n GLY 162 N 0.00 5.49 3.95 5.00 0.00 -1.26 -5.02 105.19 113.36 1xgy n GLY 162 Ca 0.00 -2.68 -0.23 0.00 0.00 0.00 0.00 46.02 43.11 1xgy n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xgy s VAL 163 N -3.47 4.92 -0.23 1.61 1.01 -1.26 -2.83 120.40 120.15 1xgy s VAL 163 Ca 0.38 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1xgy s VAL 163 Cb 0.14 -3.79 0.11 0.00 0.00 0.00 0.00 36.38 32.84 1xgy s VAL 163 CO -0.02 -0.47 0.25 -1.00 0.00 0.00 0.00 175.10 173.86 1xgy s HIS 164 N -2.29 -0.37 -0.31 5.22 3.76 0.47 -4.99 115.29 116.78 1xgy s HIS 164 Ca 0.40 0.19 -0.11 0.00 -0.15 0.00 0.00 55.06 55.39 1xgy s HIS 164 Cb -0.10 -0.35 -0.02 0.00 1.11 0.00 0.00 32.58 33.22 1xgy s HIS 164 CO 0.35 -0.69 0.18 0.99 -0.85 0.00 0.00 174.74 174.72 1xgy s THR 165 N 2.36 4.99 0.31 1.30 2.01 -1.26 -0.66 115.64 124.69 1xgy s THR 165 Ca 0.08 -0.18 -0.19 0.00 0.31 0.00 0.00 61.69 61.72 1xgy s THR 165 Cb -0.15 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 1xgy s THR 165 CO -0.17 0.11 0.79 -0.36 -0.69 0.00 0.00 174.62 174.30 1xgy s PHE 166 N 1.69 3.48 0.59 4.92 0.40 -0.14 -5.00 117.98 123.91 1xgy s PHE 166 Ca 0.06 1.40 -0.18 0.00 -0.60 0.00 0.00 56.93 57.61 1xgy s PHE 166 Cb -0.17 -2.66 -0.06 0.00 0.51 0.00 0.00 43.02 40.64 1xgy s PHE 166 CO 0.09 0.14 0.83 -2.30 0.70 0.00 0.00 175.22 174.68 1xgy n PRO 167 N 0.01 0.79 -2.30 0.24 -0.02 -1.26 -4.22 135.00 128.23 1xgy n PRO 167 Ca 0.02 0.31 -0.32 0.00 -2.02 0.00 0.00 63.50 61.49 1xgy n PRO 167 Cb 0.52 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.96 1xgy n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xgy s ALA 168 N -1.57 3.10 0.07 3.55 0.00 -1.26 -4.68 121.76 120.97 1xgy s ALA 168 Ca 0.73 0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.86 1xgy s ALA 168 Cb -0.43 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1xgy s ALA 168 CO 0.49 -0.33 -0.23 0.14 0.00 0.00 0.00 175.76 175.84 1xgy s VAL 169 N -2.74 1.84 -0.38 0.00 -7.23 -0.73 -4.88 120.40 106.27 1xgy s VAL 169 Ca 0.57 -1.40 -0.15 0.00 -1.81 0.00 0.00 61.98 59.20 1xgy s VAL 169 Cb -0.10 -1.61 0.01 0.00 0.56 0.00 0.00 36.38 35.23 1xgy s VAL 169 CO 0.37 0.14 0.33 -0.22 -0.31 0.00 0.00 175.10 175.41 1xgy s LEU 170 N -1.50 4.79 -0.28 1.32 2.96 -1.26 -1.35 118.68 123.36 1xgy s LEU 170 Ca 0.09 -0.61 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1xgy s LEU 170 Cb -0.09 -2.24 0.07 0.00 0.50 0.00 0.00 46.19 44.43 1xgy s LEU 170 CO 0.03 -0.40 -0.04 -1.58 -1.32 0.00 0.00 176.35 173.04 1xgy s GLN 171 N 1.85 1.80 -1.03 1.98 0.74 -0.08 -4.75 119.66 120.18 1xgy s GLN 171 Ca 0.08 -1.40 -0.00 0.00 0.05 0.00 0.00 55.36 54.09 1xgy s GLN 171 Cb -0.18 -2.86 0.00 0.00 1.10 0.00 0.00 33.01 31.07 1xgy s GLN 171 CO 0.11 -0.70 0.85 0.43 -0.55 0.00 0.00 175.29 175.44 1xgy n SER 172 N 4.46 -2.06 0.00 6.67 7.64 -1.26 -2.84 113.62 126.23 1xgy n SER 172 Ca -0.08 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.27 1xgy n SER 172 Cb 0.42 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 59.17 1xgy n SER 172 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1xgy n ASP 173 N -2.82 -2.60 -4.15 6.43 8.00 -1.26 -4.99 116.55 115.16 1xgy n ASP 173 Ca -0.25 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.01 1xgy n ASP 173 Cb 0.64 -1.76 -0.15 0.00 -0.02 0.00 0.00 41.12 39.83 1xgy n ASP 173 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xgy s LEU 174 N 0.00 2.00 0.37 0.64 1.43 -1.13 -4.84 118.68 117.15 1xgy s LEU 174 Ca 0.00 -0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 52.62 1xgy s LEU 174 Cb 0.00 -0.90 -0.09 0.00 0.03 0.00 0.00 46.19 45.23 1xgy s LEU 174 CO 0.00 0.20 0.80 -0.31 0.23 0.00 0.00 176.35 177.27 1xgy s TYR 175 N -0.29 3.38 -0.16 0.29 2.02 0.91 -0.90 117.35 122.60 1xgy s TYR 175 Ca 0.04 1.29 -0.06 0.00 -0.37 0.00 0.00 57.07 57.97 1xgy s TYR 175 Cb -0.08 -2.60 0.07 0.00 -0.40 0.00 0.00 41.96 38.95 1xgy s TYR 175 CO -0.00 -0.01 0.33 0.99 -1.57 0.00 0.00 175.55 175.29 1xgy s THR 176 N -2.13 -0.50 0.27 -0.71 2.01 -0.46 -1.07 115.64 113.05 1xgy s THR 176 Ca 0.56 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.83 1xgy s THR 176 Cb -0.10 -0.54 -0.06 0.00 0.01 0.00 0.00 72.50 71.82 1xgy s THR 176 CO 0.19 0.10 -0.00 -1.48 -0.69 0.00 0.00 174.62 172.74 1xgy s LEU 177 N 2.45 2.26 0.05 4.42 -0.00 -0.89 -1.77 118.68 125.21 1xgy s LEU 177 Ca -0.00 -1.25 0.02 0.00 -0.00 0.00 0.00 54.13 52.90 1xgy s LEU 177 Cb -0.12 -0.40 -0.03 0.00 -0.00 0.00 0.00 46.19 45.65 1xgy s LEU 177 CO -0.10 -0.49 -0.08 -0.94 -0.00 0.00 0.00 176.35 174.73 1xgy s SER 178 N -3.39 0.96 -0.03 1.48 1.04 -1.26 -0.95 113.70 111.56 1xgy s SER 178 Ca 0.31 -0.60 0.03 0.00 0.48 0.00 0.00 55.95 56.16 1xgy s SER 178 Cb 0.06 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1xgy s SER 178 CO 0.11 -0.22 -0.11 -0.55 0.98 0.00 0.00 173.24 173.45 1xgy s SER 179 N -1.75 1.47 0.04 7.02 0.15 0.12 -0.96 113.70 119.79 1xgy s SER 179 Ca -0.07 -0.23 0.08 0.00 0.70 0.00 0.00 55.95 56.43 1xgy s SER 179 Cb -0.08 -0.39 -0.03 0.00 -1.71 0.00 0.00 66.02 63.80 1xgy s SER 179 CO 0.00 0.09 -0.22 -0.94 1.20 0.00 0.00 173.24 173.37 1xgy s SER 180 N 0.14 3.52 -0.03 5.45 1.04 0.17 0.07 113.70 124.07 1xgy s SER 180 Ca -0.03 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 55.92 1xgy s SER 180 Cb -0.09 -0.47 0.01 0.00 0.10 0.00 0.00 66.02 65.56 1xgy s SER 180 CO 0.01 0.26 -0.08 0.54 0.98 0.00 0.00 173.24 174.94 1xgy s VAL 181 N -0.87 0.73 -0.21 5.02 0.11 0.03 -0.40 120.40 124.81 1xgy s VAL 181 Ca 0.13 -0.32 -0.02 0.00 -2.93 0.00 0.00 61.98 58.84 1xgy s VAL 181 Cb -0.10 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.09 1xgy s VAL 181 CO 0.04 0.24 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.05 1xgy s THR 182 N 0.27 2.83 0.16 5.04 2.01 -1.13 -1.06 115.64 123.76 1xgy s THR 182 Ca -0.04 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.31 1xgy s THR 182 Cb -0.09 -2.27 -0.05 0.00 0.01 0.00 0.00 72.50 70.11 1xgy s THR 182 CO 0.00 0.46 -0.07 0.68 -0.69 0.00 0.00 174.62 175.00 1xgy s VAL 183 N 1.40 1.08 0.42 3.82 -7.23 0.09 -4.57 120.40 115.41 1xgy s VAL 183 Ca 0.05 -2.04 -0.26 0.00 -1.81 0.00 0.00 61.98 57.92 1xgy s VAL 183 Cb -0.14 -1.95 -0.09 0.00 0.56 0.00 0.00 36.38 34.76 1xgy s VAL 183 CO -0.07 -0.66 1.40 -2.84 -0.31 0.00 0.00 175.10 172.62 1xgy s PRO 184 N -3.79 3.88 0.31 4.82 0.02 -1.26 0.39 135.00 139.37 1xgy s PRO 184 Ca 0.19 2.36 -0.01 0.00 0.02 0.00 0.00 61.00 63.56 1xgy s PRO 184 Cb 0.04 -2.76 0.49 0.00 0.02 0.00 0.00 34.50 32.28 1xgy s PRO 184 CO 0.02 -0.64 1.96 0.77 -0.33 0.00 0.00 177.00 178.78 1xgy h SER 185 N 2.60 0.91 0.00 2.53 0.02 -1.76 -0.97 113.55 116.88 1xgy h SER 185 Ca -0.50 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1xgy h SER 185 Cb 1.25 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1xgy h SER 185 CO 0.62 0.64 0.00 -1.54 -1.14 0.00 0.00 176.83 175.42 1xgy n SER 186 N -4.43 0.39 -0.88 3.07 3.41 -1.26 -1.48 113.62 112.43 1xgy n SER 186 Ca 0.10 0.68 0.06 0.00 -0.26 0.00 0.00 58.87 59.45 1xgy n SER 186 Cb 0.08 -0.73 0.24 0.00 -0.26 0.00 0.00 64.21 63.54 1xgy n SER 186 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xgy n THR 187 N -2.02 2.32 -3.65 6.66 -2.24 -0.37 -4.62 114.28 110.35 1xgy n THR 187 Ca -0.01 -2.09 0.00 0.00 -2.27 0.00 0.00 64.05 59.69 1xgy n THR 187 Cb 0.03 -0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 67.92 1xgy n THR 187 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1xgy s TRP 188 N -2.92 -0.25 -1.20 4.78 -0.00 -0.55 -2.90 118.94 115.90 1xgy s TRP 188 Ca 0.42 0.50 0.04 0.00 -0.00 0.00 0.00 56.10 57.06 1xgy s TRP 188 Cb 0.35 0.16 0.19 0.00 -0.00 0.00 0.00 33.47 34.17 1xgy s TRP 188 CO 0.07 -0.12 1.05 -2.30 -0.00 0.00 0.00 176.95 175.65 1xgy n PRO 189 N 3.25 0.03 -0.04 5.86 -0.02 -1.26 -4.78 135.00 138.03 1xgy n PRO 189 Ca -0.17 0.34 -0.01 0.00 -2.02 0.00 0.00 63.50 61.64 1xgy n PRO 189 Cb 0.57 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.54 1xgy n PRO 189 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1xgy n SER 190 N -1.40 -0.11 -4.79 2.55 7.64 -1.26 -4.31 113.62 111.93 1xgy n SER 190 Ca 0.01 0.37 -0.22 0.00 1.01 0.00 0.00 58.87 60.04 1xgy n SER 190 Cb 0.04 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 1xgy n SER 190 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1xgy s GLU 191 N -3.79 2.56 0.31 1.43 2.02 -1.14 -5.06 118.70 115.03 1xgy s GLU 191 Ca -0.01 -1.41 -0.18 0.00 0.02 0.00 0.00 54.97 53.39 1xgy s GLU 191 Cb 0.01 -2.33 -0.09 0.00 0.10 0.00 0.00 34.13 31.82 1xgy s GLU 191 CO 0.07 0.11 0.78 0.95 0.02 0.00 0.00 175.26 177.19 1xgy s THR 192 N -2.36 4.58 -0.11 3.63 -4.23 -1.26 -4.47 115.64 111.41 1xgy s THR 192 Ca 0.39 1.18 0.02 0.00 -1.18 0.00 0.00 61.69 62.09 1xgy s THR 192 Cb -0.04 -3.70 0.01 0.00 1.34 0.00 0.00 72.50 70.11 1xgy s THR 192 CO 0.25 -0.08 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.39 1xgy s VAL 193 N -1.87 1.59 -0.01 2.29 1.01 -1.26 -5.03 120.40 117.11 1xgy s VAL 193 Ca 0.52 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.83 1xgy s VAL 193 Cb -0.12 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.82 1xgy s VAL 193 CO 0.18 0.46 -0.06 -0.89 0.00 0.00 0.00 175.10 174.79 1xgy s THR 194 N 0.98 0.52 -0.12 3.92 2.01 -1.26 -1.34 115.64 120.35 1xgy s THR 194 Ca -0.06 -0.24 -0.05 0.00 0.31 0.00 0.00 61.69 61.64 1xgy s THR 194 Cb -0.15 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 1xgy s THR 194 CO -0.02 0.17 0.08 0.00 -0.69 0.00 0.00 174.62 174.16 1xgy s ASN 196 N -0.76 5.49 -0.26 0.00 -0.87 0.31 -2.41 114.94 116.45 1xgy s ASN 196 Ca 0.13 -1.37 -0.09 0.00 -1.57 0.00 0.00 52.86 49.96 1xgy s ASN 196 Cb -0.12 -1.93 -0.04 0.00 -0.02 0.00 0.00 41.25 39.14 1xgy s ASN 196 CO 0.03 -0.45 0.13 -0.69 -2.57 0.00 0.00 177.10 173.55 1xgy s VAL 197 N 1.40 4.85 -0.05 1.60 1.01 -0.65 -2.13 120.40 126.43 1xgy s VAL 197 Ca 0.02 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1xgy s VAL 197 Cb -0.21 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 1xgy s VAL 197 CO 0.02 0.31 -0.16 0.00 0.00 0.00 0.00 175.10 175.26 1xgy s ALA 198 N 1.59 2.57 -0.35 5.51 0.00 -0.40 -1.01 121.76 129.67 1xgy s ALA 198 Ca 0.07 -1.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 1xgy s ALA 198 Cb -0.15 -0.91 0.13 0.00 0.00 0.00 0.00 23.12 22.19 1xgy s ALA 198 CO 0.07 0.53 0.20 -1.58 0.00 0.00 0.00 175.76 174.97 1xgy s HIS 199 N -0.62 0.91 0.19 0.00 2.46 -0.78 -1.00 115.29 116.45 1xgy s HIS 199 Ca 0.09 -1.64 -0.20 0.00 0.47 0.00 0.00 55.06 53.78 1xgy s HIS 199 Cb -0.11 -1.11 0.13 0.00 -0.13 0.00 0.00 32.58 31.36 1xgy s HIS 199 CO 0.01 -0.82 1.59 -1.35 -2.47 0.00 0.00 174.74 171.69 1xgy h PRO 200 N 7.25 -0.15 -0.86 2.88 0.11 -1.81 -1.69 132.00 137.73 1xgy h PRO 200 Ca -0.00 0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.26 1xgy h PRO 200 Cb 0.97 0.03 -0.15 0.00 0.11 0.00 0.00 31.00 31.97 1xgy h PRO 200 CO 0.34 -0.10 -0.37 0.00 -0.21 0.00 0.00 178.00 177.66 1xgy h ALA 201 N 1.05 0.10 -0.33 -0.75 0.00 -1.92 0.24 119.26 117.65 1xgy h ALA 201 Ca 0.24 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1xgy h ALA 201 Cb 0.54 0.93 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1xgy h ALA 201 CO -0.67 -0.64 0.00 -1.13 0.00 0.00 0.00 179.25 176.82 1xgy n SER 202 N -5.46 2.13 -1.50 0.00 3.41 -1.02 -4.93 113.62 106.25 1xgy n SER 202 Ca 0.08 -1.89 -0.14 0.00 -0.26 0.00 0.00 58.87 56.66 1xgy n SER 202 Cb 0.39 -0.21 -0.06 0.00 -0.26 0.00 0.00 64.21 64.07 1xgy n SER 202 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xgy n SER 203 N 0.64 -3.82 -4.92 4.04 7.64 0.85 -4.94 113.62 113.11 1xgy n SER 203 Ca 0.15 0.34 -0.28 0.00 1.01 0.00 0.00 58.87 60.09 1xgy n SER 203 Cb 0.36 -3.50 -0.03 0.00 -1.01 0.00 0.00 64.21 60.03 1xgy n SER 203 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1xgy s THR 204 N -2.25 5.20 -0.11 0.44 -4.23 -1.08 -4.98 115.64 108.62 1xgy s THR 204 Ca 0.00 -0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.19 1xgy s THR 204 Cb 0.00 -3.71 0.06 0.00 1.34 0.00 0.00 72.50 70.19 1xgy s THR 204 CO 0.00 -0.12 0.21 -0.75 -0.54 0.00 0.00 174.62 173.43 1xgy s LYS 205 N -3.15 0.10 0.02 3.99 2.47 -1.26 -1.86 119.74 120.04 1xgy s LYS 205 Ca 0.39 0.63 0.08 0.00 -1.56 0.00 0.00 55.97 55.51 1xgy s LYS 205 Cb -0.11 -0.22 -0.02 0.00 -1.46 0.00 0.00 37.83 36.02 1xgy s LYS 205 CO 0.28 -0.32 -0.25 0.08 0.16 0.00 0.00 175.35 175.30 1xgy s VAL 206 N 2.36 2.02 -0.20 4.02 1.01 -0.18 -5.00 120.40 124.43 1xgy s VAL 206 Ca 0.02 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 1xgy s VAL 206 Cb -0.12 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1xgy s VAL 206 CO -0.07 0.44 -0.12 -1.81 0.00 0.00 0.00 175.10 173.53 1xgy s ASP 207 N -0.93 3.74 -0.26 3.32 1.01 -1.26 -1.63 116.67 120.65 1xgy s ASP 207 Ca 0.10 -0.51 -0.06 0.00 0.71 0.00 0.00 52.55 52.80 1xgy s ASP 207 Cb -0.10 -1.61 -0.01 0.00 1.01 0.00 0.00 42.92 42.21 1xgy s ASP 207 CO 0.01 0.00 0.04 -0.75 0.21 0.00 0.00 175.17 174.68 1xgy s LYS 208 N 1.31 3.36 -0.41 8.23 2.47 -1.01 -5.00 119.74 128.69 1xgy s LYS 208 Ca 0.04 -0.67 -0.26 0.00 -1.56 0.00 0.00 55.97 53.52 1xgy s LYS 208 Cb -0.14 -3.25 0.02 0.00 -1.46 0.00 0.00 37.83 33.00 1xgy s LYS 208 CO -0.07 -0.29 0.95 0.21 0.16 0.00 0.00 175.35 176.31 1xgy s LYS 209 N 1.53 3.74 -0.52 4.03 2.20 -1.26 -2.86 119.74 126.60 1xgy s LYS 209 Ca 0.05 0.46 -0.27 0.00 -0.36 0.00 0.00 55.97 55.85 1xgy s LYS 209 Cb -0.16 -3.85 -0.01 0.00 -1.51 0.00 0.00 37.83 32.30 1xgy s LYS 209 CO 0.01 -1.07 1.77 0.42 -0.36 0.00 0.00 175.35 176.12 1xgy s ILE 210 N 3.65 3.46 0.19 5.43 1.09 -0.45 -4.96 121.20 129.61 1xgy s ILE 210 Ca 0.39 0.36 0.09 0.00 -1.10 0.00 0.00 60.65 60.40 1xgy s ILE 210 Cb -0.11 -3.94 -0.04 0.00 -1.06 0.00 0.00 42.46 37.31 1xgy s ILE 210 CO 0.22 -0.81 -0.12 -0.69 -0.10 0.00 0.00 174.94 173.44 1xgy s VAL 211 N 7.98 3.04 0.47 2.92 1.01 -1.26 -4.59 120.40 129.97 1xgy s VAL 211 Ca 0.68 -1.75 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 1xgy s VAL 211 Cb -0.15 -2.51 -0.07 0.00 0.00 0.00 0.00 36.38 33.65 1xgy s VAL 211 CO 0.25 -0.13 1.38 -2.16 0.00 0.00 0.00 175.10 174.44 1xgy s PRO 212 N -2.85 3.57 1.33 2.72 0.04 -1.26 -4.71 135.00 133.84 1xgy s PRO 212 Ca 0.24 2.30 -0.19 0.00 0.04 0.00 0.00 61.00 63.39 1xgy s PRO 212 Cb -0.08 -2.54 0.34 0.00 0.04 0.00 0.00 34.50 32.25 1xgy s PRO 212 CO 0.14 -0.87 0.97 0.50 0.04 0.00 0.00 177.00 177.78 1xgy s ARG 213 N -2.56 -2.18 0.00 4.56 3.52 -1.26 -5.13 118.95 115.90 1xgy s ARG 213 Ca 0.64 0.42 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 1xgy s ARG 213 Cb -0.41 -1.44 0.00 0.00 -1.56 0.00 0.00 34.95 31.54 1xgy s ARG 213 CO 0.52 -4.45 0.00 -0.40 -0.81 0.00 0.00 175.30 170.15