#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gcu s ARG 5 N 0.00 4.55 0.93 5.31 3.52 -1.26 -5.06 118.95 126.94 3gcu s ARG 5 Ca 0.00 1.46 -0.11 0.00 -0.13 0.00 0.00 55.73 56.95 3gcu s ARG 5 Cb 0.00 -3.45 0.15 0.00 -1.56 0.00 0.00 34.95 30.10 3gcu s ARG 5 CO 0.00 -0.07 1.12 -1.25 -0.81 0.00 0.00 175.30 174.29 3gcu s PRO 6 N 1.02 0.92 0.03 5.12 0.04 -1.26 -5.01 135.00 135.86 3gcu s PRO 6 Ca 0.53 1.37 -0.23 0.00 0.04 0.00 0.00 61.00 62.71 3gcu s PRO 6 Cb -0.22 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 3gcu s PRO 6 CO 0.28 -2.64 0.68 0.99 0.04 0.00 0.00 177.00 176.35 3gcu s THR 7 N -2.67 4.78 -0.05 1.26 2.01 -1.26 -4.99 115.64 114.72 3gcu s THR 7 Ca 0.66 1.45 -0.03 0.00 0.31 0.00 0.00 61.69 64.08 3gcu s THR 7 Cb -0.22 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 3gcu s THR 7 CO 0.59 0.41 0.10 -0.36 -0.69 0.00 0.00 174.62 174.66 3gcu s PHE 8 N -0.24 3.38 0.14 4.92 0.40 -1.26 -0.98 117.98 124.34 3gcu s PHE 8 Ca 0.35 0.30 0.09 0.00 -0.60 0.00 0.00 56.93 57.07 3gcu s PHE 8 Cb -0.20 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 3gcu s PHE 8 CO 0.20 0.60 -0.16 1.52 0.70 0.00 0.00 175.22 178.08 3gcu s TYR 9 N -1.13 2.55 0.03 0.36 -0.85 -0.26 -4.89 117.35 113.17 3gcu s TYR 9 Ca 0.20 -0.25 0.04 0.00 -0.52 0.00 0.00 57.07 56.54 3gcu s TYR 9 Cb -0.12 -1.32 -0.04 0.00 0.38 0.00 0.00 41.96 40.87 3gcu s TYR 9 CO 0.10 0.43 -0.08 0.50 -1.52 0.00 0.00 175.55 174.98 3gcu s ARG 10 N -2.35 2.43 0.18 -3.49 3.52 -1.26 -1.83 118.95 116.15 3gcu s ARG 10 Ca 0.20 -0.81 -0.15 0.00 -0.13 0.00 0.00 55.73 54.84 3gcu s ARG 10 Cb -0.10 -2.44 0.02 0.00 -1.56 0.00 0.00 34.95 30.87 3gcu s ARG 10 CO 0.11 0.57 0.46 1.14 -0.81 0.00 0.00 175.30 176.78 3gcu s GLN 11 N -1.63 1.31 -0.21 5.12 -2.07 -0.48 -5.00 119.66 116.71 3gcu s GLN 11 Ca 0.18 -0.93 -0.02 0.00 -1.82 0.00 0.00 55.36 52.77 3gcu s GLN 11 Cb -0.11 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 3gcu s GLN 11 CO 0.09 -0.54 -0.10 -2.00 -1.32 0.00 0.00 175.29 171.42 3gcu s GLU 12 N -3.89 3.22 -0.24 9.60 2.12 -1.26 -0.72 118.70 127.53 3gcu s GLU 12 Ca 0.11 -0.71 0.02 0.00 0.36 0.00 0.00 54.97 54.75 3gcu s GLU 12 Cb 0.00 -2.85 0.05 0.00 0.26 0.00 0.00 34.13 31.59 3gcu s GLU 12 CO -0.03 -0.21 -0.10 -0.51 -0.54 0.00 0.00 175.26 173.87 3gcu s LEU 13 N 1.41 3.02 -0.92 2.70 1.43 0.17 -4.84 118.68 121.65 3gcu s LEU 13 Ca 0.05 -1.23 -0.03 0.00 -1.03 0.00 0.00 54.13 51.89 3gcu s LEU 13 Cb -0.14 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3gcu s LEU 13 CO -0.07 -0.18 0.79 0.59 0.23 0.00 0.00 176.35 177.71 3gcu n ASN 14 N 4.53 -4.32 -1.11 2.29 5.03 -1.26 -2.23 115.26 118.19 3gcu n ASN 14 Ca -0.14 -0.56 -0.14 0.00 0.87 0.00 0.00 54.58 54.62 3gcu n ASN 14 Cb 0.44 -4.37 -0.06 0.00 -1.02 0.00 0.00 39.78 34.77 3gcu n ASN 14 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 3gcu n LYS 15 N -3.19 -1.58 -4.60 3.52 -0.00 -1.26 -4.95 118.16 106.09 3gcu n LYS 15 Ca -0.13 0.93 -0.31 0.00 -0.00 0.00 0.00 58.31 58.80 3gcu n LYS 15 Cb 0.62 -5.28 -0.17 0.00 -0.00 0.00 0.00 35.03 30.20 3gcu n LYS 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3gcu s THR 16 N -2.13 1.87 -0.13 0.58 2.01 -0.95 -5.10 115.64 111.79 3gcu s THR 16 Ca 0.00 -0.86 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 3gcu s THR 16 Cb 0.00 -1.66 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 3gcu s THR 16 CO 0.00 0.51 1.07 -0.63 -0.69 0.00 0.00 174.62 174.88 3gcu s ILE 17 N 0.87 4.62 -0.31 1.82 -1.09 -1.26 0.43 121.20 126.28 3gcu s ILE 17 Ca -0.07 1.92 -0.03 0.00 -2.23 0.00 0.00 60.65 60.24 3gcu s ILE 17 Cb -0.15 -4.23 0.05 0.00 -1.58 0.00 0.00 42.46 36.54 3gcu s ILE 17 CO -0.02 -0.05 0.02 0.26 -1.23 0.00 0.00 174.94 173.93 3gcu s TRP 18 N 2.45 3.26 -0.32 3.97 0.52 0.10 -4.96 118.94 123.96 3gcu s TRP 18 Ca 0.49 -1.75 -0.04 0.00 0.02 0.00 0.00 56.10 54.82 3gcu s TRP 18 Cb -0.19 -2.15 0.04 0.00 -1.15 0.00 0.00 33.47 30.03 3gcu s TRP 18 CO 0.16 -0.78 0.05 -2.00 0.02 0.00 0.00 176.95 174.39 3gcu s GLU 19 N 1.29 2.55 0.03 4.98 2.12 -1.26 -1.39 118.70 127.02 3gcu s GLU 19 Ca -0.04 -1.21 -0.01 0.00 0.36 0.00 0.00 54.97 54.07 3gcu s GLU 19 Cb -0.20 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 3gcu s GLU 19 CO -0.00 -0.63 -0.01 0.14 -0.54 0.00 0.00 175.26 174.22 3gcu s VAL 20 N 1.33 0.14 0.51 3.70 -7.23 -0.76 -4.58 120.40 113.51 3gcu s VAL 20 Ca -0.03 -1.15 -0.22 0.00 -1.81 0.00 0.00 61.98 58.76 3gcu s VAL 20 Cb -0.19 -0.65 -0.07 0.00 0.56 0.00 0.00 36.38 36.03 3gcu s VAL 20 CO 0.01 -0.63 1.25 -2.65 -0.31 0.00 0.00 175.10 172.76 3gcu n PRO 21 N 1.13 1.62 -0.05 4.82 -0.02 -1.26 -1.10 135.00 140.14 3gcu n PRO 21 Ca -0.21 0.59 0.20 0.00 -2.02 0.00 0.00 63.50 62.06 3gcu n PRO 21 Cb 0.57 -2.42 0.65 0.00 -0.02 0.00 0.00 33.50 32.28 3gcu n PRO 21 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3gcu h GLU 22 N 1.49 0.09 -0.95 -0.52 5.08 -1.40 -1.18 114.58 117.19 3gcu h GLU 22 Ca -0.49 -0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.11 3gcu h GLU 22 Cb 1.31 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 3gcu h GLU 22 CO 0.57 0.06 0.65 0.07 -1.00 0.00 0.00 179.01 179.36 3gcu h ARG 23 N 0.09 0.19 -5.31 2.33 0.11 -1.89 -3.37 114.38 106.52 3gcu h ARG 23 Ca 0.29 -0.01 -0.65 0.00 0.10 0.00 0.00 59.98 59.71 3gcu h ARG 23 Cb 1.03 -0.04 -0.15 0.00 1.11 0.00 0.00 29.97 31.92 3gcu h ARG 23 CO -0.03 0.12 0.03 0.71 0.10 0.00 0.00 179.97 180.91 3gcu s TYR 24 N -5.20 3.14 0.33 4.08 1.51 -0.45 -1.07 117.35 119.69 3gcu s TYR 24 Ca -0.07 0.09 0.10 0.00 -1.01 0.00 0.00 57.07 56.18 3gcu s TYR 24 Cb 0.23 -3.10 -0.06 0.00 -0.11 0.00 0.00 41.96 38.91 3gcu s TYR 24 CO 0.78 -0.68 -0.07 -0.65 -1.11 0.00 0.00 175.55 173.82 3gcu s GLN 25 N 2.57 1.89 -1.19 -0.62 -1.52 -0.04 -4.80 119.66 115.96 3gcu s GLN 25 Ca 0.21 -1.85 -0.06 0.00 -1.95 0.00 0.00 55.36 51.71 3gcu s GLN 25 Cb -0.15 -1.79 0.01 0.00 -0.22 0.00 0.00 33.01 30.85 3gcu s GLN 25 CO 0.15 0.17 1.03 0.09 -0.25 0.00 0.00 175.29 176.48 3gcu n ASN 26 N -0.82 -4.90 -4.70 5.90 4.13 -1.26 0.20 115.26 113.80 3gcu n ASN 26 Ca -0.05 -0.51 -0.42 0.00 1.68 0.00 0.00 54.58 55.29 3gcu n ASN 26 Cb 0.63 -4.61 -0.03 0.00 -1.54 0.00 0.00 39.78 34.22 3gcu n ASN 26 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3gcu s LEU 27 N -6.49 4.36 -0.03 3.41 1.02 -1.25 -4.26 118.68 115.44 3gcu s LEU 27 Ca 0.39 2.48 -0.01 0.00 0.02 0.00 0.00 54.13 57.01 3gcu s LEU 27 Cb -0.17 -3.58 0.02 0.00 0.02 0.00 0.00 46.19 42.48 3gcu s LEU 27 CO 0.66 -0.81 0.05 -0.94 0.02 0.00 0.00 176.35 175.33 3gcu s SER 28 N 1.70 -0.00 0.20 2.29 1.04 -0.62 -4.99 113.70 113.32 3gcu s SER 28 Ca 0.70 0.10 -0.30 0.00 0.48 0.00 0.00 55.95 56.93 3gcu s SER 28 Cb -0.40 0.03 -0.09 0.00 0.10 0.00 0.00 66.02 65.66 3gcu s SER 28 CO 0.31 -0.09 1.30 -2.84 0.98 0.00 0.00 173.24 172.89 3gcu s PRO 29 N 0.74 4.40 0.00 4.02 0.02 -1.26 -0.57 135.00 142.35 3gcu s PRO 29 Ca -0.06 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.00 3gcu s PRO 29 Cb -0.08 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.24 3gcu s PRO 29 CO -0.03 -0.23 0.66 1.33 -0.33 0.00 0.00 177.00 178.40 3gcu n VAL 30 N 2.58 0.44 0.00 3.83 0.24 0.47 -4.84 118.33 121.04 3gcu n VAL 30 Ca 0.06 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 3gcu n VAL 30 Cb 0.43 0.89 0.00 0.00 -1.47 0.00 0.00 33.84 33.69 3gcu n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gcu n GLY 31 N -0.22 2.47 3.42 7.63 0.00 -1.17 -4.96 105.19 112.36 3gcu n GLY 31 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 3gcu n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gcu s SER 32 N 0.00 -0.49 0.00 1.61 0.15 -1.26 -0.54 113.70 113.17 3gcu s SER 32 Ca 0.00 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.89 3gcu s SER 32 Cb 0.00 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 3gcu s SER 32 CO 0.00 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.32 3gcu n GLY 33 N 0.39 -1.78 0.28 9.45 0.00 -0.20 -4.73 105.19 108.59 3gcu n GLY 33 Ca -0.18 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 44.79 3gcu n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gcu h ALA 34 N 0.00 1.96 0.00 4.61 0.00 -1.53 -2.39 119.26 121.91 3gcu h ALA 34 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3gcu h ALA 34 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3gcu h ALA 34 CO 0.00 0.03 -0.68 1.88 0.00 0.00 0.00 179.25 180.48 3gcu h TYR 35 N 0.12 0.00 0.00 0.00 0.05 -1.13 -3.43 116.97 112.59 3gcu h TYR 35 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 3gcu h TYR 35 Cb 0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.77 3gcu h TYR 35 CO -0.00 0.58 0.00 0.41 -1.05 0.00 0.00 178.16 178.10 3gcu n GLY 36 N 1.26 -0.10 3.21 3.88 0.00 -0.90 -2.13 105.19 110.42 3gcu n GLY 36 Ca 0.00 -1.24 -0.21 0.00 0.00 0.00 0.00 46.02 44.57 3gcu n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gcu s SER 37 N 0.00 2.05 -0.04 1.61 0.01 -0.82 -1.03 113.70 115.48 3gcu s SER 37 Ca 0.00 -0.59 0.05 0.00 1.31 0.00 0.00 55.95 56.72 3gcu s SER 37 Cb 0.00 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 3gcu s SER 37 CO 0.00 0.02 -0.20 -0.69 0.41 0.00 0.00 173.24 172.78 3gcu s VAL 38 N -1.08 1.66 -0.05 3.43 1.01 0.30 -0.55 120.40 125.12 3gcu s VAL 38 Ca 0.03 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3gcu s VAL 38 Cb -0.09 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.86 3gcu s VAL 38 CO 0.03 0.47 -0.23 0.00 0.00 0.00 0.00 175.10 175.37 3gcu s ALA 40 N -0.30 2.74 0.27 0.00 0.00 0.27 -0.55 121.76 124.19 3gcu s ALA 40 Ca 0.01 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 52.57 3gcu s ALA 40 Cb -0.13 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.67 3gcu s ALA 40 CO 0.02 -0.66 0.62 0.00 0.00 0.00 0.00 175.76 175.74 3gcu s ALA 41 N -1.82 -0.77 -0.20 0.00 0.00 -0.37 -1.59 121.76 117.02 3gcu s ALA 41 Ca 0.71 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 3gcu s ALA 41 Cb -0.22 0.94 -0.00 0.00 0.00 0.00 0.00 23.12 23.84 3gcu s ALA 41 CO 0.25 -0.96 -0.09 0.12 0.00 0.00 0.00 175.76 175.09 3gcu s PHE 42 N -3.91 2.90 -0.57 0.00 5.36 0.13 -1.25 117.98 120.64 3gcu s PHE 42 Ca 0.16 -1.01 -0.24 0.00 -0.96 0.00 0.00 56.93 54.88 3gcu s PHE 42 Cb -0.04 -2.02 0.05 0.00 -0.34 0.00 0.00 43.02 40.67 3gcu s PHE 42 CO 0.08 -0.53 0.95 0.34 -1.46 0.00 0.00 175.22 174.60 3gcu s ASP 43 N 1.24 6.31 0.52 6.13 2.15 0.34 -0.86 116.67 132.49 3gcu s ASP 43 Ca 0.03 -0.45 0.29 0.00 0.43 0.00 0.00 52.55 52.84 3gcu s ASP 43 Cb -0.14 -2.44 1.38 0.00 -0.30 0.00 0.00 42.92 41.42 3gcu s ASP 43 CO -0.04 -1.28 2.02 0.71 -0.17 0.00 0.00 175.17 176.42 3gcu h THR 44 N 6.01 0.46 -0.39 1.71 1.35 -1.40 0.55 112.91 121.20 3gcu h THR 44 Ca -0.27 -0.64 -0.13 0.00 -0.55 0.00 0.00 66.41 64.82 3gcu h THR 44 Cb 1.07 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 3gcu h THR 44 CO 1.11 0.12 -0.28 0.50 -0.25 0.00 0.00 175.52 176.72 3gcu h LYS 45 N 0.00 0.84 0.00 4.72 3.64 -1.92 -3.35 116.57 120.50 3gcu h LYS 45 Ca -0.00 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3gcu h LYS 45 Cb 0.43 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3gcu h LYS 45 CO 0.02 1.01 -1.17 0.25 -2.27 0.00 0.00 179.45 177.29 3gcu n THR 46 N -4.09 0.00 -0.99 1.00 -2.24 -1.08 -4.99 114.28 101.90 3gcu n THR 46 Ca -0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3gcu n THR 46 Cb 0.48 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3gcu n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gcu n GLY 47 N 1.76 0.60 3.88 3.38 0.00 0.16 -5.04 105.19 109.93 3gcu n GLY 47 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 3gcu n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gcu s LEU 48 N 0.00 4.34 0.11 0.99 1.43 -1.19 -4.88 118.68 119.48 3gcu s LEU 48 Ca 0.00 0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 53.44 3gcu s LEU 48 Cb 0.00 -2.93 -0.07 0.00 0.03 0.00 0.00 46.19 43.23 3gcu s LEU 48 CO 0.00 0.18 1.18 -0.13 0.23 0.00 0.00 176.35 177.81 3gcu s ARG 49 N -2.01 4.47 0.25 1.70 0.52 -1.26 -0.51 118.95 122.12 3gcu s ARG 49 Ca 0.32 1.79 0.07 0.00 -0.52 0.00 0.00 55.73 57.39 3gcu s ARG 49 Cb -0.13 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 31.98 3gcu s ARG 49 CO 0.19 -0.16 -0.08 0.14 0.02 0.00 0.00 175.30 175.41 3gcu s VAL 50 N 0.55 1.65 -0.17 3.52 -7.23 -0.38 -1.43 120.40 116.92 3gcu s VAL 50 Ca 0.56 -2.15 -0.04 0.00 -1.81 0.00 0.00 61.98 58.53 3gcu s VAL 50 Cb -0.30 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 3gcu s VAL 50 CO 0.32 -0.40 -0.02 0.00 -0.31 0.00 0.00 175.10 174.70 3gcu s ALA 51 N -3.01 3.06 -0.26 1.32 0.00 0.41 -1.23 121.76 122.03 3gcu s ALA 51 Ca 0.27 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 3gcu s ALA 51 Cb 0.02 -1.64 0.02 0.00 0.00 0.00 0.00 23.12 21.53 3gcu s ALA 51 CO 0.10 0.15 -0.02 0.08 0.00 0.00 0.00 175.76 176.07 3gcu s VAL 52 N 0.47 3.16 -0.33 0.00 1.01 0.29 -1.55 120.40 123.45 3gcu s VAL 52 Ca -0.02 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 3gcu s VAL 52 Cb -0.14 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.62 3gcu s VAL 52 CO 0.02 0.14 0.16 -0.75 0.00 0.00 0.00 175.10 174.67 3gcu s LYS 53 N 1.36 3.07 -0.34 2.72 2.20 0.00 -0.88 119.74 127.87 3gcu s LYS 53 Ca 0.00 -0.90 -0.22 0.00 -0.36 0.00 0.00 55.97 54.49 3gcu s LYS 53 Cb -0.17 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 3gcu s LYS 53 CO -0.02 -0.54 0.71 0.21 -0.36 0.00 0.00 175.35 175.34 3gcu s LYS 54 N 1.56 3.79 0.33 4.03 2.20 0.28 -1.12 119.74 130.82 3gcu s LYS 54 Ca 0.03 0.27 -0.29 0.00 -0.36 0.00 0.00 55.97 55.62 3gcu s LYS 54 Cb -0.18 -3.78 -0.11 0.00 -1.51 0.00 0.00 37.83 32.25 3gcu s LYS 54 CO 0.06 -0.73 1.43 -0.51 -0.36 0.00 0.00 175.35 175.24 3gcu s LEU 55 N 2.86 4.37 -0.11 5.43 1.43 -0.92 -1.94 118.68 129.79 3gcu s LEU 55 Ca 0.28 2.85 -0.21 0.00 -1.03 0.00 0.00 54.13 56.03 3gcu s LEU 55 Cb -0.14 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 3gcu s LEU 55 CO 0.14 -0.74 0.59 -0.55 0.23 0.00 0.00 176.35 176.03 3gcu s SER 56 N -0.08 6.81 -1.43 2.29 0.15 -0.90 -4.33 113.70 116.21 3gcu s SER 56 Ca 0.54 0.97 -0.00 0.00 0.70 0.00 0.00 55.95 58.16 3gcu s SER 56 Cb -0.44 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 3gcu s SER 56 CO 0.54 -0.08 0.33 0.54 1.20 0.00 0.00 173.24 175.77 3gcu n ARG 57 N 3.90 -2.84 -0.05 5.44 1.74 -1.26 -4.81 116.66 118.77 3gcu n ARG 57 Ca -0.04 0.34 0.15 0.00 -0.77 0.00 0.00 57.85 57.54 3gcu n ARG 57 Cb 0.51 -4.34 0.57 0.00 -1.02 0.00 0.00 32.46 28.18 3gcu n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3gcu h PRO 58 N -1.83 0.24 0.00 5.56 0.13 -1.82 -2.76 132.00 131.52 3gcu h PRO 58 Ca -0.64 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.47 3gcu h PRO 58 Cb 1.38 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 3gcu h PRO 58 CO 0.64 0.16 -0.26 1.19 -0.23 0.00 0.00 178.00 179.50 3gcu n PHE 59 N -4.45 0.00 0.24 1.56 3.72 -1.26 -2.00 117.46 115.28 3gcu n PHE 59 Ca 0.10 -1.16 0.12 0.00 -0.05 0.00 0.00 57.45 56.46 3gcu n PHE 59 Cb 0.46 -0.19 0.16 0.00 -0.94 0.00 0.00 39.48 38.98 3gcu n PHE 59 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3gcu h GLN 60 N 0.46 0.00 -4.36 -1.08 4.20 -1.86 -3.46 115.11 109.01 3gcu h GLN 60 Ca -0.01 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 3gcu h GLN 60 Cb 1.04 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.68 3gcu h GLN 60 CO 0.00 0.00 -0.55 -1.54 -0.67 0.00 0.00 178.83 176.07 3gcu s SER 61 N -5.89 0.18 0.17 1.46 1.04 -1.26 -5.03 113.70 104.36 3gcu s SER 61 Ca 0.06 -1.21 -0.12 0.00 0.48 0.00 0.00 55.95 55.16 3gcu s SER 61 Cb 0.07 0.37 0.06 0.00 0.10 0.00 0.00 66.02 66.61 3gcu s SER 61 CO 0.68 -0.82 1.69 0.40 0.98 0.00 0.00 173.24 176.17 3gcu h ILE 62 N 2.68 1.24 -0.24 -1.02 2.04 -1.95 -0.73 117.51 119.53 3gcu h ILE 62 Ca -0.34 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 3gcu h ILE 62 Cb 1.23 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3gcu h ILE 62 CO 0.54 0.31 0.11 0.40 0.00 0.00 0.00 178.15 179.51 3gcu h ILE 63 N 0.80 1.15 -0.42 -0.67 1.08 -1.97 -1.53 117.51 115.94 3gcu h ILE 63 Ca 0.18 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 3gcu h ILE 63 Cb 0.29 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 3gcu h ILE 63 CO -0.00 0.15 0.27 0.45 -0.69 0.00 0.00 178.15 178.33 3gcu h HIS 64 N 0.26 0.54 -0.45 1.37 3.86 -1.81 -1.50 115.15 117.41 3gcu h HIS 64 Ca 0.08 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 3gcu h HIS 64 Cb 0.13 -0.18 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 3gcu h HIS 64 CO -0.02 0.35 0.21 0.00 0.86 0.00 0.00 177.93 179.33 3gcu h ALA 65 N 1.14 0.56 -0.23 2.45 0.00 -0.49 -0.14 119.26 122.55 3gcu h ALA 65 Ca 0.15 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 3gcu h ALA 65 Cb -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gcu h ALA 65 CO -0.03 -0.15 -0.62 -0.22 0.00 0.00 0.00 179.25 178.23 3gcu h LYS 66 N 0.43 0.80 -0.63 0.00 3.64 -1.21 -2.50 116.57 117.10 3gcu h LYS 66 Ca 0.20 -0.55 0.10 0.00 -1.27 0.00 0.00 60.65 59.13 3gcu h LYS 66 Cb 0.12 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 31.95 3gcu h LYS 66 CO -0.15 1.17 0.22 0.00 -2.27 0.00 0.00 179.45 178.42 3gcu h ARG 67 N 0.59 0.38 -0.03 1.90 3.08 -1.10 0.15 114.38 119.36 3gcu h ARG 67 Ca -0.01 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.03 3gcu h ARG 67 Cb 1.22 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 3gcu h ARG 67 CO 0.13 0.25 -0.04 1.15 -1.07 0.00 0.00 179.97 180.39 3gcu h THR 68 N 0.39 0.90 -0.22 2.04 2.02 -0.90 -0.09 112.91 117.04 3gcu h THR 68 Ca 0.32 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.50 3gcu h THR 68 Cb 0.43 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 3gcu h THR 68 CO -0.34 0.00 0.11 0.22 0.37 0.00 0.00 175.52 175.88 3gcu h TYR 69 N -0.05 0.31 -0.26 3.16 5.03 -1.26 -1.16 116.97 122.73 3gcu h TYR 69 Ca 0.02 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.36 3gcu h TYR 69 Cb 0.09 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.24 3gcu h TYR 69 CO -0.12 0.30 0.06 -0.09 -1.32 0.00 0.00 178.16 176.99 3gcu h ARG 70 N 0.22 0.15 -0.25 1.82 2.43 -0.64 0.13 114.38 118.25 3gcu h ARG 70 Ca 0.07 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3gcu h ARG 70 Cb 0.11 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3gcu h ARG 70 CO -0.01 0.10 0.01 1.49 -1.51 0.00 0.00 179.97 180.05 3gcu h GLU 71 N 0.16 0.43 -0.39 0.20 4.81 -0.81 -1.83 114.58 117.15 3gcu h GLU 71 Ca 0.12 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3gcu h GLU 71 Cb 0.12 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3gcu h GLU 71 CO -0.15 0.59 0.23 1.25 -0.73 0.00 0.00 179.01 180.20 3gcu h LEU 72 N 0.22 0.38 -0.37 1.64 5.85 -1.02 -0.66 115.31 121.34 3gcu h LEU 72 Ca 0.07 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3gcu h LEU 72 Cb 0.39 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3gcu h LEU 72 CO 0.01 0.27 0.18 0.03 -0.34 0.00 0.00 178.44 178.59 3gcu h ARG 73 N 0.47 0.36 0.08 1.25 2.47 -0.68 0.16 114.38 118.50 3gcu h ARG 73 Ca 0.15 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.85 3gcu h ARG 73 Cb -0.00 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.24 3gcu h ARG 73 CO -0.07 0.24 -0.04 1.25 0.56 0.00 0.00 179.97 181.91 3gcu h LEU 74 N 0.37 -0.09 -1.10 3.04 5.85 -1.20 -2.31 115.31 119.87 3gcu h LEU 74 Ca 0.16 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 3gcu h LEU 74 Cb 0.07 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3gcu h LEU 74 CO -0.12 0.18 0.11 -0.07 -0.34 0.00 0.00 178.44 178.20 3gcu h LEU 75 N -0.37 0.69 -1.93 2.25 3.38 -1.04 -1.16 115.31 117.13 3gcu h LEU 75 Ca -0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3gcu h LEU 75 Cb 0.32 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3gcu h LEU 75 CO 0.02 0.69 -0.09 0.11 0.09 0.00 0.00 178.44 179.25 3gcu h LYS 76 N 0.72 0.00 0.06 1.13 1.57 -0.90 -3.06 116.57 116.09 3gcu h LYS 76 Ca 0.16 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.70 3gcu h LYS 76 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3gcu h LYS 76 CO -0.00 0.09 -1.14 1.25 -0.57 0.00 0.00 179.45 179.09 3gcu h HIS 77 N 0.00 0.24 -3.34 -1.35 2.76 -0.64 -3.46 115.15 109.36 3gcu h HIS 77 Ca -0.00 -0.18 -0.56 0.00 -2.20 0.00 0.00 60.37 57.43 3gcu h HIS 77 Cb 0.19 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.08 3gcu h HIS 77 CO 0.00 1.14 1.05 -1.64 -1.30 0.00 0.00 177.93 177.18 3gcu s MET 78 N -2.68 3.58 -0.54 5.26 -1.94 -0.88 -4.91 119.30 117.19 3gcu s MET 78 Ca -0.02 0.82 0.05 0.00 -1.71 0.00 0.00 55.69 54.83 3gcu s MET 78 Cb 0.08 -4.01 0.18 0.00 2.01 0.00 0.00 34.83 33.09 3gcu s MET 78 CO 0.85 -1.56 0.43 1.63 -0.01 0.00 0.00 175.02 176.36 3gcu n LYS 79 N 8.08 0.95 -3.72 2.03 5.02 -1.26 -4.48 118.16 124.77 3gcu n LYS 79 Ca 0.15 -3.75 -0.12 0.00 -2.02 0.00 0.00 58.31 52.57 3gcu n LYS 79 Cb 0.48 -1.92 -0.10 0.00 -0.02 0.00 0.00 35.03 33.47 3gcu n LYS 79 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3gcu s HIS 80 N -0.70 -0.49 0.41 2.13 2.46 -1.26 -5.05 115.29 112.78 3gcu s HIS 80 Ca 0.30 1.14 0.18 0.00 0.47 0.00 0.00 55.06 57.16 3gcu s HIS 80 Cb 0.02 0.18 1.09 0.00 -0.13 0.00 0.00 32.58 33.74 3gcu s HIS 80 CO -0.18 -0.25 1.81 0.93 -2.47 0.00 0.00 174.74 174.58 3gcu h GLU 81 N 6.01 0.39 -0.65 2.88 5.08 -1.98 -2.20 114.58 124.12 3gcu h GLU 81 Ca -0.30 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 3gcu h GLU 81 Cb 1.18 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.31 3gcu h GLU 81 CO 0.27 0.26 0.08 0.09 -1.00 0.00 0.00 179.01 178.70 3gcu n ASN 82 N -4.56 5.33 -3.97 1.42 4.13 -1.26 -4.72 115.26 111.62 3gcu n ASN 82 Ca 0.22 -2.97 -0.13 0.00 1.68 0.00 0.00 54.58 53.38 3gcu n ASN 82 Cb 0.80 -0.70 -0.13 0.00 -1.54 0.00 0.00 39.78 38.21 3gcu n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3gcu s VAL 83 N -2.75 0.32 0.18 2.41 1.01 -0.83 -0.48 120.40 120.26 3gcu s VAL 83 Ca 0.53 -0.52 -0.33 0.00 0.00 0.00 0.00 61.98 61.65 3gcu s VAL 83 Cb 0.41 -0.34 -0.15 0.00 0.00 0.00 0.00 36.38 36.30 3gcu s VAL 83 CO 0.15 -0.14 1.31 0.00 0.00 0.00 0.00 175.10 176.41 3gcu n ILE 84 N 2.36 0.68 -4.24 2.22 0.13 0.02 -4.50 119.36 116.02 3gcu n ILE 84 Ca -0.17 -0.17 -0.28 0.00 -1.10 0.00 0.00 62.75 61.03 3gcu n ILE 84 Cb 0.57 -1.10 -0.09 0.00 -0.84 0.00 0.00 39.64 38.18 3gcu n ILE 84 CO 0.00 0.00 0.00 -0.83 2.80 0.00 0.00 176.55 178.52 3gcu s GLY 85 N 0.25 1.75 -0.29 4.50 0.00 -1.26 -4.76 107.32 107.52 3gcu s GLY 85 Ca 0.74 -1.37 -0.19 0.00 0.00 0.00 0.00 44.72 43.89 3gcu s GLY 85 CO 0.49 -1.38 0.59 -2.27 0.00 0.00 0.00 173.10 170.53 3gcu s LEU 86 N -2.67 4.11 0.05 0.66 0.20 -1.25 -4.53 118.68 115.25 3gcu s LEU 86 Ca 0.25 0.48 -0.03 0.00 0.69 0.00 0.00 54.13 55.52 3gcu s LEU 86 Cb -0.10 -2.76 -0.28 0.00 -0.43 0.00 0.00 46.19 42.63 3gcu s LEU 86 CO 0.16 -0.40 1.04 -0.07 -0.29 0.00 0.00 176.35 176.78 3gcu h LEU 87 N 9.00 0.37 -7.00 -0.68 4.07 -0.87 -3.41 115.31 116.79 3gcu h LEU 87 Ca -0.27 -0.44 0.04 0.00 0.08 0.00 0.00 57.88 57.29 3gcu h LEU 87 Cb 1.13 -0.12 -0.19 0.00 1.08 0.00 0.00 40.66 42.56 3gcu h LEU 87 CO 0.77 1.35 0.41 -0.62 -1.08 0.00 0.00 178.44 179.27 3gcu s ASP 88 N -7.03 -0.46 -0.02 -0.43 3.68 -1.14 -4.57 116.67 106.70 3gcu s ASP 88 Ca -0.05 0.34 -0.01 0.00 2.13 0.00 0.00 52.55 54.96 3gcu s ASP 88 Cb 0.07 0.42 0.02 0.00 -1.45 0.00 0.00 42.92 41.97 3gcu s ASP 88 CO 0.87 -0.55 0.03 0.54 0.13 0.00 0.00 175.17 176.19 3gcu s VAL 89 N -1.93 -0.03 0.19 1.11 0.11 -1.26 -0.48 120.40 118.12 3gcu s VAL 89 Ca -0.02 0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 59.05 3gcu s VAL 89 Cb -0.01 -0.07 -0.01 0.00 -1.53 0.00 0.00 36.38 34.76 3gcu s VAL 89 CO -0.00 0.04 0.31 0.72 -3.33 0.00 0.00 175.10 172.84 3gcu s PHE 90 N 0.56 0.48 -0.02 1.54 -0.12 -0.58 -5.00 117.98 114.84 3gcu s PHE 90 Ca -0.05 -0.83 -0.04 0.00 -0.05 0.00 0.00 56.93 55.97 3gcu s PHE 90 Cb -0.07 -0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.27 3gcu s PHE 90 CO -0.02 -0.78 0.08 -0.08 -0.05 0.00 0.00 175.22 174.38 3gcu s THR 91 N -4.00 0.03 0.54 -4.49 -1.32 -1.26 -1.24 115.64 103.90 3gcu s THR 91 Ca 0.21 -0.28 0.21 0.00 -1.21 0.00 0.00 61.69 60.62 3gcu s THR 91 Cb 0.03 -0.22 0.31 0.00 -1.51 0.00 0.00 72.50 71.11 3gcu s THR 91 CO 0.04 -0.15 2.13 -0.65 -2.21 0.00 0.00 174.62 173.77 3gcu h PRO 92 N 5.44 0.00 -6.74 7.08 0.11 -1.81 -3.45 132.00 132.62 3gcu h PRO 92 Ca -0.27 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.27 3gcu h PRO 92 Cb 1.20 0.00 0.11 0.00 0.11 0.00 0.00 31.00 32.42 3gcu h PRO 92 CO 0.43 0.00 0.50 0.00 -0.21 0.00 0.00 178.00 178.72 3gcu n ALA 93 N -2.51 1.26 0.65 -0.75 0.00 -1.26 -4.94 120.51 112.96 3gcu n ALA 93 Ca -0.00 0.36 0.10 0.00 0.00 0.00 0.00 53.44 53.90 3gcu n ALA 93 Cb 0.21 -2.25 -0.13 0.00 0.00 0.00 0.00 19.45 17.28 3gcu n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gcu n ARG 94 N 0.53 0.23 -3.99 0.00 1.74 -1.26 -4.97 116.66 108.94 3gcu n ARG 94 Ca 0.05 -0.07 -0.10 0.00 -0.77 0.00 0.00 57.85 56.97 3gcu n ARG 94 Cb 0.36 -1.51 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 3gcu n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gcu s SER 95 N -3.53 -0.02 0.39 0.55 1.04 -1.26 -5.04 113.70 105.84 3gcu s SER 95 Ca 0.03 -0.93 0.06 0.00 0.48 0.00 0.00 55.95 55.59 3gcu s SER 95 Cb 0.15 0.50 0.79 0.00 0.10 0.00 0.00 66.02 67.56 3gcu s SER 95 CO 0.88 -1.00 2.04 0.25 0.98 0.00 0.00 173.24 176.40 3gcu h LEU 96 N 2.41 0.55 -1.37 2.42 5.85 -1.96 -1.85 115.31 121.36 3gcu h LEU 96 Ca -0.30 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3gcu h LEU 96 Cb 1.24 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 3gcu h LEU 96 CO 0.43 0.40 -0.07 1.05 -0.34 0.00 0.00 178.44 179.91 3gcu h GLU 97 N 0.65 0.00 0.00 1.25 9.09 -2.01 -2.40 114.58 121.16 3gcu h GLU 97 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 3gcu h GLU 97 Cb -0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.03 3gcu h GLU 97 CO -0.04 0.07 -0.83 0.39 0.05 0.00 0.00 179.01 178.65 3gcu n GLU 98 N -3.20 0.26 -2.32 1.06 1.02 -0.74 -4.98 120.64 111.75 3gcu n GLU 98 Ca 0.00 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.74 3gcu n GLU 98 Cb 0.34 -1.62 -0.02 0.00 -0.02 0.00 0.00 31.44 30.12 3gcu n GLU 98 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3gcu s PHE 99 N -3.17 2.44 0.00 -0.32 5.36 -0.90 -4.70 117.98 116.69 3gcu s PHE 99 Ca 0.05 0.73 0.00 0.00 -0.96 0.00 0.00 56.93 56.75 3gcu s PHE 99 Cb 0.14 -4.05 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 3gcu s PHE 99 CO 0.76 -2.11 0.00 0.09 -1.46 0.00 0.00 175.22 172.50 3gcu n ASN 100 N 8.27 0.00 -3.85 6.13 3.02 -1.26 -5.04 115.26 122.53 3gcu n ASN 100 Ca 0.16 -0.40 -0.12 0.00 -0.03 0.00 0.00 54.58 54.20 3gcu n ASN 100 Cb 0.47 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.50 3gcu n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3gcu s ASP 101 N 0.00 -0.04 -0.04 6.41 1.01 -1.26 -4.62 116.67 118.12 3gcu s ASP 101 Ca 0.00 0.09 0.02 0.00 0.71 0.00 0.00 52.55 53.37 3gcu s ASP 101 Cb 0.00 0.08 0.01 0.00 1.01 0.00 0.00 42.92 44.02 3gcu s ASP 101 CO 0.00 -0.03 -0.10 -0.69 0.21 0.00 0.00 175.17 174.56 3gcu s VAL 102 N 0.12 0.91 -0.03 -1.27 1.01 -1.26 -4.47 120.40 115.40 3gcu s VAL 102 Ca -0.01 -0.39 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3gcu s VAL 102 Cb -0.01 -0.83 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 3gcu s VAL 102 CO -0.00 0.29 -0.15 -0.31 0.00 0.00 0.00 175.10 174.93 3gcu s TYR 103 N 0.43 1.49 -0.06 5.22 1.51 -0.37 -2.17 117.35 123.39 3gcu s TYR 103 Ca -0.08 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 3gcu s TYR 103 Cb -0.12 -1.01 -0.02 0.00 -0.11 0.00 0.00 41.96 40.70 3gcu s TYR 103 CO 0.02 -0.13 -0.18 -0.51 -1.11 0.00 0.00 175.55 173.63 3gcu s LEU 104 N 0.02 2.46 -0.07 -1.29 1.43 -0.27 -1.53 118.68 119.43 3gcu s LEU 104 Ca -0.02 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 3gcu s LEU 104 Cb -0.10 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.63 3gcu s LEU 104 CO 0.01 0.28 -0.22 -0.69 0.23 0.00 0.00 176.35 175.97 3gcu s VAL 105 N -0.37 1.86 0.24 -1.59 1.01 0.37 -0.82 120.40 121.10 3gcu s VAL 105 Ca 0.03 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.08 3gcu s VAL 105 Cb -0.12 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 3gcu s VAL 105 CO 0.02 0.52 0.11 0.42 0.00 0.00 0.00 175.10 176.17 3gcu s THR 106 N 0.14 0.36 0.30 3.92 -4.23 -0.60 -0.11 115.64 115.42 3gcu s THR 106 Ca -0.10 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.11 3gcu s THR 106 Cb -0.15 -2.59 -0.12 0.00 1.34 0.00 0.00 72.50 70.98 3gcu s THR 106 CO 0.05 0.00 1.49 1.41 -0.54 0.00 0.00 174.62 177.03 3gcu n HIS 107 N -0.40 2.63 -2.26 3.99 8.25 -1.26 -0.45 115.22 125.73 3gcu n HIS 107 Ca 0.01 0.38 -0.42 0.00 -0.26 0.00 0.00 57.72 57.42 3gcu n HIS 107 Cb 0.66 -2.53 -0.03 0.00 1.12 0.00 0.00 29.99 29.22 3gcu n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3gcu s LEU 108 N -0.72 4.33 -0.04 2.41 2.96 -0.51 -4.35 118.68 122.76 3gcu s LEU 108 Ca 0.62 2.12 -0.13 0.00 -0.22 0.00 0.00 54.13 56.52 3gcu s LEU 108 Cb -0.54 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.53 3gcu s LEU 108 CO 0.54 -0.65 0.34 -0.04 -1.32 0.00 0.00 176.35 175.22 3gcu s MET 109 N 1.88 3.84 0.00 1.98 -1.94 -1.26 -4.91 119.30 118.89 3gcu s MET 109 Ca 0.63 0.27 0.00 0.00 -1.71 0.00 0.00 55.69 54.88 3gcu s MET 109 Cb -0.32 -3.23 0.00 0.00 2.01 0.00 0.00 34.83 33.29 3gcu s MET 109 CO 0.27 0.67 0.12 0.41 -0.01 0.00 0.00 175.02 176.48 3gcu n GLY 110 N 1.99 0.44 3.56 -0.03 0.00 -1.26 -4.98 105.19 104.91 3gcu n GLY 110 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 3gcu n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gcu s ALA 111 N -3.47 3.00 0.51 4.61 0.00 -1.25 -5.03 121.76 120.13 3gcu s ALA 111 Ca 0.00 -1.98 0.08 0.00 0.00 0.00 0.00 51.96 50.07 3gcu s ALA 111 Cb 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 22.93 3gcu s ALA 111 CO 0.00 0.13 0.63 0.16 0.00 0.00 0.00 175.76 176.68 3gcu s ASP 112 N -3.62 5.17 0.45 0.00 3.84 -1.26 -1.37 116.67 119.88 3gcu s ASP 112 Ca 0.33 -0.78 0.20 0.00 -0.00 0.00 0.00 52.55 52.29 3gcu s ASP 112 Cb -0.01 -0.04 1.09 0.00 -1.38 0.00 0.00 42.92 42.58 3gcu s ASP 112 CO 0.17 -1.07 1.96 0.25 -0.00 0.00 0.00 175.17 176.49 3gcu h LEU 113 N 0.49 0.00 -0.56 2.11 5.85 -0.69 -2.76 115.31 119.74 3gcu h LEU 113 Ca -0.35 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 3gcu h LEU 113 Cb 1.29 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 3gcu h LEU 113 CO 0.46 0.22 0.27 -1.13 -0.34 0.00 0.00 178.44 177.92 3gcu h ASN 114 N 0.00 0.74 -0.98 1.25 -0.00 -1.85 -1.86 115.58 112.88 3gcu h ASN 114 Ca -0.00 -0.13 0.06 0.00 -0.00 0.00 0.00 56.30 56.22 3gcu h ASN 114 Cb 0.45 -0.19 -0.06 0.00 -0.00 0.00 0.00 38.32 38.52 3gcu h ASN 114 CO 0.03 0.66 0.63 0.78 -0.00 0.00 0.00 177.43 179.53 3gcu h ASN 115 N 0.76 1.03 0.58 1.15 -0.26 -1.85 -2.96 115.58 114.03 3gcu h ASN 115 Ca 0.19 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.91 3gcu h ASN 115 Cb 0.12 -0.22 0.01 0.00 -1.06 0.00 0.00 38.32 37.16 3gcu h ASN 115 CO -0.02 0.67 -0.28 0.40 -1.06 0.00 0.00 177.43 177.14 3gcu h ILE 116 N 1.18 0.25 -0.92 2.81 2.04 -1.45 -2.94 117.51 118.48 3gcu h ILE 116 Ca 0.41 -0.37 0.15 0.00 1.00 0.00 0.00 64.86 66.05 3gcu h ILE 116 Cb 0.11 0.34 -0.10 0.00 -0.74 0.00 0.00 36.82 36.44 3gcu h ILE 116 CO -0.16 0.04 0.52 0.58 0.00 0.00 0.00 178.15 179.13 3gcu h VAL 117 N -1.07 0.76 -0.65 1.67 2.07 -1.35 0.25 116.25 117.94 3gcu h VAL 117 Ca -0.08 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.21 3gcu h VAL 117 Cb 0.65 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3gcu h VAL 117 CO 0.13 0.13 0.43 0.11 0.02 0.00 0.00 177.57 178.40 3gcu h LYS 118 N 0.74 0.81 -0.00 1.57 6.56 -1.61 -3.33 116.57 121.31 3gcu h LYS 118 Ca 0.50 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 60.04 3gcu h LYS 118 Cb 0.68 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 3gcu h LYS 118 CO -0.35 0.54 -0.81 0.00 -2.06 0.00 0.00 179.45 176.77 3gcu s GLN 120 N -2.71 0.85 -0.30 0.00 -2.07 -0.54 -5.07 119.66 109.83 3gcu s GLN 120 Ca 0.09 0.24 -0.28 0.00 -1.82 0.00 0.00 55.36 53.59 3gcu s GLN 120 Cb 0.15 0.40 0.01 0.00 -1.09 0.00 0.00 33.01 32.48 3gcu s GLN 120 CO 0.73 -0.23 1.02 -1.59 -1.32 0.00 0.00 175.29 173.90 3gcu s LYS 121 N -0.90 4.10 0.13 9.60 0.00 -1.26 -4.60 119.74 126.80 3gcu s LYS 121 Ca -0.09 1.06 -0.30 0.00 0.00 0.00 0.00 55.97 56.63 3gcu s LYS 121 Cb -0.03 -3.71 -0.06 0.00 0.00 0.00 0.00 37.83 34.03 3gcu s LYS 121 CO 0.06 -0.80 0.98 -0.51 0.00 0.00 0.00 175.35 175.08 3gcu s LEU 122 N 3.43 4.51 0.90 2.77 1.43 -1.26 -5.05 118.68 125.41 3gcu s LEU 122 Ca 0.43 1.84 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 3gcu s LEU 122 Cb -0.13 -3.59 0.13 0.00 0.03 0.00 0.00 46.19 42.63 3gcu s LEU 122 CO 0.13 -0.07 1.09 0.42 0.23 0.00 0.00 176.35 178.15 3gcu s THR 123 N -0.12 2.64 0.25 5.49 -4.23 -1.26 -4.84 115.64 113.58 3gcu s THR 123 Ca 0.47 0.21 -0.02 0.00 -1.18 0.00 0.00 61.69 61.17 3gcu s THR 123 Cb -0.24 -2.59 0.09 0.00 1.34 0.00 0.00 72.50 71.10 3gcu s THR 123 CO 0.31 -0.27 1.73 -0.78 -0.54 0.00 0.00 174.62 175.06 3gcu h ASP 124 N -1.62 0.73 -0.43 3.99 3.58 -1.98 -1.48 116.42 119.21 3gcu h ASP 124 Ca -0.49 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 56.72 3gcu h ASP 124 Cb 1.28 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 42.11 3gcu h ASP 124 CO 0.52 0.85 0.15 -0.78 -2.88 0.00 0.00 179.24 177.10 3gcu h ASP 125 N 0.69 0.67 -0.05 2.28 3.58 -1.99 -0.07 116.42 121.53 3gcu h ASP 125 Ca 0.12 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 3gcu h ASP 125 Cb 0.53 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.41 3gcu h ASP 125 CO 0.03 0.65 0.03 -0.74 -2.88 0.00 0.00 179.24 176.32 3gcu h HIS 126 N 0.72 0.08 -0.25 0.28 2.76 -1.80 -1.32 115.15 115.61 3gcu h HIS 126 Ca 0.17 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3gcu h HIS 126 Cb 0.22 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 3gcu h HIS 126 CO 0.01 0.17 0.16 0.28 -1.30 0.00 0.00 177.93 177.25 3gcu h VAL 127 N -0.04 1.07 -0.62 5.26 2.07 -1.15 -1.83 116.25 121.01 3gcu h VAL 127 Ca 0.02 -0.14 0.11 0.00 0.82 0.00 0.00 66.70 67.51 3gcu h VAL 127 Cb 0.12 0.72 -0.12 0.00 -1.52 0.00 0.00 31.29 30.49 3gcu h VAL 127 CO -0.00 0.07 -0.35 1.56 0.02 0.00 0.00 177.57 178.87 3gcu h GLN 128 N 0.33 -0.15 -0.35 1.57 4.20 -0.93 -0.32 115.11 119.45 3gcu h GLN 128 Ca 0.09 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3gcu h GLN 128 Cb -0.03 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3gcu h GLN 128 CO -0.02 -0.10 0.12 0.35 -0.67 0.00 0.00 178.83 178.51 3gcu h PHE 129 N -0.16 0.55 -0.17 2.96 3.57 -1.00 -0.18 116.94 122.52 3gcu h PHE 129 Ca 0.23 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3gcu h PHE 129 Cb 0.56 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3gcu h PHE 129 CO -0.66 0.53 0.02 -0.07 -2.23 0.00 0.00 178.31 175.90 3gcu h LEU 130 N 0.42 0.27 -0.44 0.59 3.38 -1.11 -2.48 115.31 115.93 3gcu h LEU 130 Ca 0.12 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 3gcu h LEU 130 Cb 0.22 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3gcu h LEU 130 CO -0.01 0.48 -0.36 0.40 0.09 0.00 0.00 178.44 179.04 3gcu h ILE 131 N 0.05 1.27 -0.63 1.22 1.08 -1.02 -1.15 117.51 118.34 3gcu h ILE 131 Ca 0.05 -1.53 0.13 0.00 -0.39 0.00 0.00 64.86 63.11 3gcu h ILE 131 Cb 0.33 1.35 -0.09 0.00 -3.07 0.00 0.00 36.82 35.34 3gcu h ILE 131 CO 0.00 0.51 0.10 0.22 -0.69 0.00 0.00 178.15 178.30 3gcu h TYR 132 N 0.75 0.15 -0.17 1.37 3.20 -1.02 -1.65 116.97 119.59 3gcu h TYR 132 Ca 0.07 0.04 -0.19 0.00 3.14 0.00 0.00 58.73 61.79 3gcu h TYR 132 Cb 0.94 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.24 3gcu h TYR 132 CO 0.06 -0.08 -0.65 1.96 -1.64 0.00 0.00 178.16 177.81 3gcu h GLN 133 N 0.22 0.63 -0.31 1.82 4.20 -1.01 -0.02 115.11 120.64 3gcu h GLN 133 Ca 0.33 -0.45 0.03 0.00 0.06 0.00 0.00 58.65 58.62 3gcu h GLN 133 Cb 0.52 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 3gcu h GLN 133 CO -0.45 1.07 0.14 0.82 -0.67 0.00 0.00 178.83 179.73 3gcu h ILE 134 N 0.46 0.96 -0.08 2.54 2.04 -0.83 -1.76 117.51 120.84 3gcu h ILE 134 Ca -0.01 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.64 3gcu h ILE 134 Cb 1.23 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3gcu h ILE 134 CO 0.13 0.05 -0.42 -0.07 0.00 0.00 0.00 178.15 177.84 3gcu h LEU 135 N 0.29 0.20 0.00 1.44 3.38 -1.01 0.25 115.31 119.86 3gcu h LEU 135 Ca 0.13 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3gcu h LEU 135 Cb 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3gcu h LEU 135 CO -0.11 0.60 -0.00 -0.09 0.09 0.00 0.00 178.44 178.93 3gcu h ARG 136 N 0.16 -0.00 -0.45 1.13 2.43 -0.89 0.31 114.38 117.07 3gcu h ARG 136 Ca 0.01 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3gcu h ARG 136 Cb 0.82 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.33 3gcu h ARG 136 CO 0.06 0.28 0.24 0.78 -1.51 0.00 0.00 179.97 179.83 3gcu h GLY 137 N -0.28 0.62 1.01 2.80 0.00 -1.11 -2.93 103.07 103.18 3gcu h GLY 137 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3gcu h GLY 137 CO 0.00 0.14 0.42 1.41 0.00 0.00 0.00 176.54 178.51 3gcu h LEU 138 N 0.49 0.93 -0.76 3.11 3.38 -0.40 -0.93 115.31 121.12 3gcu h LEU 138 Ca 0.19 -0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.21 3gcu h LEU 138 Cb 0.06 -0.24 -0.10 0.00 0.09 0.00 0.00 40.66 40.47 3gcu h LEU 138 CO -0.11 0.75 0.30 0.50 0.09 0.00 0.00 178.44 179.98 3gcu h LYS 139 N 1.03 0.42 -0.00 1.13 3.64 -0.30 0.72 116.57 123.22 3gcu h LYS 139 Ca 0.26 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3gcu h LYS 139 Cb 0.02 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3gcu h LYS 139 CO -0.04 0.28 -0.00 -0.92 -2.27 0.00 0.00 179.45 176.50 3gcu h TYR 140 N 0.44 0.01 -0.03 1.91 3.20 -1.21 -1.08 116.97 120.21 3gcu h TYR 140 Ca 0.42 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.29 3gcu h TYR 140 Cb 0.66 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 3gcu h TYR 140 CO -0.17 0.34 0.01 0.82 -1.64 0.00 0.00 178.16 177.53 3gcu h ILE 141 N -0.32 1.08 -0.77 1.81 2.04 -0.93 -2.58 117.51 117.83 3gcu h ILE 141 Ca 0.00 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.71 3gcu h ILE 141 Cb 0.34 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 3gcu h ILE 141 CO 0.00 0.06 0.50 0.45 0.00 0.00 0.00 178.15 179.17 3gcu h HIS 142 N -0.05 0.81 0.00 1.37 3.86 -0.91 -1.86 115.15 118.37 3gcu h HIS 142 Ca 0.01 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3gcu h HIS 142 Cb 0.09 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.29 3gcu h HIS 142 CO -0.05 0.41 -0.01 0.66 0.86 0.00 0.00 177.93 179.81 3gcu h SER 143 N 0.79 0.00 -0.52 2.45 4.64 -0.79 -1.03 113.55 119.10 3gcu h SER 143 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3gcu h SER 143 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3gcu h SER 143 CO -0.12 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.85 3gcu n ALA 144 N -2.11 2.74 -2.87 5.18 0.00 -0.73 -4.70 120.51 118.02 3gcu n ALA 144 Ca -0.02 -1.09 -0.20 0.00 0.00 0.00 0.00 53.44 52.12 3gcu n ALA 144 Cb 0.16 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.63 3gcu n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gcu n ASP 145 N 0.92 -5.15 -4.82 0.00 10.43 -0.39 -4.74 116.55 112.80 3gcu n ASP 145 Ca 0.19 -0.17 -0.37 0.00 2.57 0.00 0.00 54.79 57.01 3gcu n ASP 145 Cb 0.61 -4.24 -0.07 0.00 1.84 0.00 0.00 41.12 39.26 3gcu n ASP 145 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3gcu s ILE 146 N -3.00 5.40 -0.18 0.53 1.01 -1.05 -5.04 121.20 118.87 3gcu s ILE 146 Ca 0.21 0.33 -0.05 0.00 0.00 0.00 0.00 60.65 61.14 3gcu s ILE 146 Cb -0.10 -3.48 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 3gcu s ILE 146 CO 0.26 0.55 -0.01 -0.63 0.00 0.00 0.00 174.94 175.11 3gcu s ILE 147 N -0.54 4.05 0.01 2.92 1.01 -1.26 -3.78 121.20 123.60 3gcu s ILE 147 Ca 0.15 -0.29 -0.25 0.00 0.00 0.00 0.00 60.65 60.26 3gcu s ILE 147 Cb -0.13 -2.81 -0.18 0.00 0.01 0.00 0.00 42.46 39.35 3gcu s ILE 147 CO 0.04 0.46 1.35 -0.74 0.00 0.00 0.00 174.94 176.04 3gcu h HIS 148 N 7.07 -0.09 0.00 3.97 -0.00 -1.96 -3.46 115.15 120.68 3gcu h HIS 148 Ca -0.34 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 3gcu h HIS 148 Cb 1.18 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.62 3gcu h HIS 148 CO 0.56 0.27 0.00 0.54 -0.00 0.00 0.00 177.93 179.30 3gcu n ARG 149 N -4.97 0.00 -2.57 5.26 1.74 -1.26 -4.76 116.66 110.10 3gcu n ARG 149 Ca -0.08 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.87 3gcu n ARG 149 Cb 0.21 -1.37 0.03 0.00 -1.02 0.00 0.00 32.46 30.31 3gcu n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gcu n ASP 150 N 0.06 2.70 -4.70 0.55 4.64 -1.26 -5.00 116.55 113.54 3gcu n ASP 150 Ca 0.00 -2.92 -0.42 0.00 -1.38 0.00 0.00 54.79 50.07 3gcu n ASP 150 Cb 0.00 -0.48 -0.03 0.00 -1.04 0.00 0.00 41.12 39.58 3gcu n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3gcu s LEU 151 N -3.45 4.33 0.00 -2.67 1.43 -1.26 -4.83 118.68 112.23 3gcu s LEU 151 Ca 0.35 2.00 -0.28 0.00 -1.03 0.00 0.00 54.13 55.17 3gcu s LEU 151 Cb 0.41 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 43.16 3gcu s LEU 151 CO -0.03 -0.57 0.85 -1.59 0.23 0.00 0.00 176.35 175.23 3gcu s LYS 152 N 1.70 0.88 0.51 1.70 -2.85 -1.26 -4.82 119.74 115.59 3gcu s LYS 152 Ca 0.59 -0.27 0.23 0.00 -1.00 0.00 0.00 55.97 55.53 3gcu s LYS 152 Cb -0.29 0.40 1.31 0.00 -2.06 0.00 0.00 37.83 37.20 3gcu s LYS 152 CO 0.26 -0.37 1.98 -1.35 0.10 0.00 0.00 175.35 175.97 3gcu h PRO 153 N 2.09 0.10 0.00 1.78 0.11 -1.94 -0.53 132.00 133.61 3gcu h PRO 153 Ca -0.24 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.87 3gcu h PRO 153 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3gcu h PRO 153 CO 0.32 0.06 0.00 -1.13 -0.21 0.00 0.00 178.00 177.05 3gcu n SER 154 N -4.40 0.46 -1.56 -2.05 3.41 -1.26 -2.59 113.62 105.63 3gcu n SER 154 Ca 0.11 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.41 3gcu n SER 154 Cb 0.58 -0.70 0.36 0.00 -0.26 0.00 0.00 64.21 64.19 3gcu n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gcu n ASN 155 N -1.99 4.66 -3.94 4.04 5.03 -0.21 -4.69 115.26 118.17 3gcu n ASN 155 Ca 0.03 -2.38 -0.30 0.00 0.87 0.00 0.00 54.58 52.80 3gcu n ASN 155 Cb 0.26 -0.57 -0.16 0.00 -1.02 0.00 0.00 39.78 38.29 3gcu n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gcu s LEU 156 N -1.72 2.45 0.12 3.41 1.43 -1.07 -1.85 118.68 121.46 3gcu s LEU 156 Ca 0.51 -1.09 -0.16 0.00 -1.03 0.00 0.00 54.13 52.36 3gcu s LEU 156 Cb 0.32 -1.17 -0.07 0.00 0.03 0.00 0.00 46.19 45.30 3gcu s LEU 156 CO 0.26 -0.22 0.54 0.00 0.23 0.00 0.00 176.35 177.17 3gcu s ALA 157 N 1.41 3.59 -0.07 4.21 0.00 -0.52 -0.77 121.76 129.61 3gcu s ALA 157 Ca -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.80 3gcu s ALA 157 Cb -0.18 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.43 3gcu s ALA 157 CO -0.07 0.44 0.04 0.08 0.00 0.00 0.00 175.76 176.26 3gcu s VAL 158 N -1.34 0.06 0.85 0.00 1.01 -0.47 -1.30 120.40 119.20 3gcu s VAL 158 Ca 0.34 0.23 -0.14 0.00 0.00 0.00 0.00 61.98 62.41 3gcu s VAL 158 Cb -0.16 -0.35 0.20 0.00 0.00 0.00 0.00 36.38 36.07 3gcu s VAL 158 CO 0.19 0.14 1.03 -0.46 0.00 0.00 0.00 175.10 176.00 3gcu n ASN 159 N 5.24 -0.41 0.30 3.32 0.23 -0.83 -3.86 115.26 119.25 3gcu n ASN 159 Ca -0.05 -1.30 0.19 0.00 -0.53 0.00 0.00 54.58 52.89 3gcu n ASN 159 Cb 0.50 -0.82 0.88 0.00 -2.08 0.00 0.00 39.78 38.25 3gcu n ASN 159 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3gcu h GLU 160 N 0.00 0.00 -0.64 -3.83 -0.00 -1.99 -1.58 114.58 106.55 3gcu h GLU 160 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.01 3gcu h GLU 160 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.73 3gcu h GLU 160 CO 0.24 0.00 0.00 -0.25 -0.00 0.00 0.00 179.01 179.00 3gcu n ASP 161 N -3.06 4.31 -1.04 3.06 10.43 -1.26 -4.92 116.55 124.07 3gcu n ASP 161 Ca -0.01 -2.48 -0.14 0.00 2.57 0.00 0.00 54.79 54.74 3gcu n ASP 161 Cb 0.22 -0.56 -0.06 0.00 1.84 0.00 0.00 41.12 42.55 3gcu n ASP 161 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gcu s GLU 163 N -3.08 4.45 -0.06 0.00 2.02 -1.26 -4.80 118.70 115.98 3gcu s GLU 163 Ca 0.00 1.25 0.01 0.00 0.02 0.00 0.00 54.97 56.25 3gcu s GLU 163 Cb 0.00 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 3gcu s GLU 163 CO 0.00 -0.16 -0.05 -1.17 0.02 0.00 0.00 175.26 173.89 3gcu s LEU 164 N 1.49 3.25 0.02 1.80 0.20 -1.26 -1.97 118.68 122.20 3gcu s LEU 164 Ca 0.46 -0.01 0.07 0.00 0.69 0.00 0.00 54.13 55.33 3gcu s LEU 164 Cb -0.19 -1.74 -0.02 0.00 -0.43 0.00 0.00 46.19 43.81 3gcu s LEU 164 CO 0.20 0.35 -0.20 -0.54 -0.29 0.00 0.00 176.35 175.88 3gcu s LYS 165 N -0.95 1.44 0.03 1.98 1.02 -0.42 -4.34 119.74 118.50 3gcu s LYS 165 Ca 0.14 -0.81 -0.22 0.00 0.02 0.00 0.00 55.97 55.09 3gcu s LYS 165 Cb -0.11 -1.47 -0.06 0.00 -0.52 0.00 0.00 37.83 35.67 3gcu s LYS 165 CO 0.03 0.39 0.67 0.42 -0.92 0.00 0.00 175.35 175.94 3gcu s ILE 166 N -0.64 4.80 0.00 2.17 1.01 0.37 -1.43 121.20 127.47 3gcu s ILE 166 Ca 0.07 1.42 0.00 0.00 0.00 0.00 0.00 60.65 62.14 3gcu s ILE 166 Cb -0.08 -4.01 0.00 0.00 0.01 0.00 0.00 42.46 38.38 3gcu s ILE 166 CO 0.01 0.41 0.00 0.00 0.00 0.00 0.00 174.94 175.35 3gcu n LEU 167 N 2.66 0.00 -3.62 2.97 -0.00 -0.77 -0.80 117.00 117.43 3gcu n LEU 167 Ca -0.05 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.67 3gcu n LEU 167 Cb 0.51 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.77 3gcu n LEU 167 CO 0.45 0.00 -0.33 -0.62 -0.00 0.00 0.00 177.39 176.89 3gcu s ASP 168 N 0.65 3.70 0.07 1.45 -1.08 -1.26 -4.77 116.67 115.43 3gcu s ASP 168 Ca 0.00 -1.40 0.25 0.00 -0.52 0.00 0.00 52.55 50.88 3gcu s ASP 168 Cb 0.00 -0.56 1.02 0.00 -1.46 0.00 0.00 42.92 41.92 3gcu s ASP 168 CO 0.00 -0.42 1.80 0.49 0.52 0.00 0.00 175.17 177.55 3gcu n PHE 169 N 5.08 0.27 -1.70 -5.34 3.72 -1.26 -4.91 117.46 113.32 3gcu n PHE 169 Ca -0.04 0.08 -0.43 0.00 -0.05 0.00 0.00 57.45 57.01 3gcu n PHE 169 Cb 0.42 -0.64 -0.02 0.00 -0.94 0.00 0.00 39.48 38.31 3gcu n PHE 169 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gcu n GLY 170 N 1.08 0.87 0.00 1.37 0.00 -1.26 -4.91 105.19 102.34 3gcu n GLY 170 Ca 0.06 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3gcu n GLY 170 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gcu n LEU 171 N 1.57 0.24 0.13 0.99 4.77 -1.26 -4.95 117.00 118.50 3gcu n LEU 171 Ca 0.08 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3gcu n LEU 171 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 3gcu n LEU 171 CO 0.63 0.06 0.00 0.00 -1.33 0.00 0.00 177.39 176.75 3gcu n ALA 172 N -0.24 1.61 -0.15 -1.18 0.00 -1.26 -0.48 120.51 118.81 3gcu n ALA 172 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gcu n ALA 172 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 3gcu n ALA 172 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3gcu n VAL 183 N -3.18 -0.04 -1.75 0.00 0.31 -1.26 -4.93 118.33 107.48 3gcu n VAL 183 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3gcu n VAL 183 Cb 0.00 -0.12 -0.01 0.00 -0.91 0.00 0.00 33.84 32.81 3gcu n VAL 183 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gcu n ALA 184 N 1.19 2.28 -0.17 3.52 0.00 -1.26 -4.92 120.51 121.16 3gcu n ALA 184 Ca 0.00 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3gcu n ALA 184 Cb 0.00 -2.41 0.26 0.00 0.00 0.00 0.00 19.45 17.29 3gcu n ALA 184 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3gcu h THR 185 N 3.03 1.19 -0.16 0.00 2.02 -1.99 -3.16 112.91 113.84 3gcu h THR 185 Ca -0.49 -0.45 0.05 0.00 0.77 0.00 0.00 66.41 66.29 3gcu h THR 185 Cb 1.24 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 3gcu h THR 185 CO 0.69 0.20 0.12 0.08 0.37 0.00 0.00 175.52 176.98 3gcu h ARG 186 N 0.90 0.00 0.00 6.66 0.11 -1.96 -2.17 114.38 117.92 3gcu h ARG 186 Ca 0.23 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.31 3gcu h ARG 186 Cb -0.01 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.07 3gcu h ARG 186 CO -0.04 0.00 -0.04 -1.49 0.10 0.00 0.00 179.97 178.50 3gcu h TRP 187 N 0.00 0.00 -0.13 4.08 6.55 -1.78 -2.79 115.95 121.88 3gcu h TRP 187 Ca 0.07 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.91 3gcu h TRP 187 Cb 0.30 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.60 3gcu h TRP 187 CO 0.00 0.04 0.00 0.66 -1.05 0.00 0.00 178.44 178.09 3gcu n TYR 188 N -4.18 0.16 -2.96 0.49 4.02 -0.83 -4.55 117.16 109.32 3gcu n TYR 188 Ca -0.03 -0.15 -0.40 0.00 -0.01 0.00 0.00 57.90 57.31 3gcu n TYR 188 Cb 0.12 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.38 3gcu n TYR 188 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3gcu s ARG 189 N -1.05 4.53 0.43 -0.72 6.06 -1.05 -3.70 118.95 123.45 3gcu s ARG 189 Ca 0.19 1.12 -0.26 0.00 -2.50 0.00 0.00 55.73 54.28 3gcu s ARG 189 Cb 0.12 -3.34 -0.08 0.00 0.06 0.00 0.00 34.95 31.71 3gcu s ARG 189 CO 0.17 0.36 1.34 0.00 -2.50 0.00 0.00 175.30 174.66 3gcu s ALA 190 N -0.35 3.23 0.41 6.12 0.00 -1.26 -4.93 121.76 124.98 3gcu s ALA 190 Ca 0.38 1.30 0.11 0.00 0.00 0.00 0.00 51.96 53.75 3gcu s ALA 190 Cb -0.21 -3.52 0.92 0.00 0.00 0.00 0.00 23.12 20.31 3gcu s ALA 190 CO 0.24 -0.95 1.96 -1.00 0.00 0.00 0.00 175.76 176.02 3gcu h PRO 191 N 2.51 0.52 0.00 0.00 0.13 -1.95 -1.78 132.00 131.43 3gcu h PRO 191 Ca -0.50 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.51 3gcu h PRO 191 Cb 1.25 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3gcu h PRO 191 CO 0.62 0.35 -0.40 1.05 -0.23 0.00 0.00 178.00 179.38 3gcu h GLU 192 N 0.54 0.00 -0.53 0.86 9.09 -1.91 -1.93 114.58 120.70 3gcu h GLU 192 Ca 0.30 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.64 3gcu h GLU 192 Cb 0.47 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.54 3gcu h GLU 192 CO -0.10 0.40 0.04 0.82 0.05 0.00 0.00 179.01 180.22 3gcu h ILE 193 N 0.00 1.25 0.00 -1.06 2.04 -1.66 -1.61 117.51 116.47 3gcu h ILE 193 Ca -0.00 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.86 3gcu h ILE 193 Cb 0.76 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3gcu h ILE 193 CO 0.05 0.36 0.00 0.23 0.00 0.00 0.00 178.15 178.79 3gcu n MET 194 N -4.22 0.20 0.00 2.37 2.81 -1.07 -2.63 117.12 114.58 3gcu n MET 194 Ca 0.03 0.17 0.14 0.00 -1.81 0.00 0.00 57.70 56.23 3gcu n MET 194 Cb 0.29 -1.73 0.54 0.00 -0.71 0.00 0.00 33.22 31.61 3gcu n MET 194 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3gcu n LEU 195 N -2.08 0.75 -2.90 4.03 4.32 -0.75 -4.94 117.00 115.43 3gcu n LEU 195 Ca 0.06 -0.14 -0.20 0.00 -0.02 0.00 0.00 56.01 55.71 3gcu n LEU 195 Cb 0.40 -0.13 0.05 0.00 -1.62 0.00 0.00 43.42 42.13 3gcu n LEU 195 CO 0.29 0.14 0.14 -3.20 -1.22 0.00 0.00 177.39 173.53 3gcu n ASN 196 N -0.72 -5.58 -4.64 -1.43 5.15 -1.08 -4.95 115.26 102.02 3gcu n ASN 196 Ca 0.15 -0.38 -0.43 0.00 -0.60 0.00 0.00 54.58 53.32 3gcu n ASN 196 Cb 0.30 -4.26 -0.03 0.00 -0.53 0.00 0.00 39.78 35.26 3gcu n ASN 196 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3gcu s TRP 197 N -3.20 1.97 -1.49 1.20 -0.11 -0.64 -4.86 118.94 111.80 3gcu s TRP 197 Ca 0.41 0.37 0.25 0.00 1.22 0.00 0.00 56.10 58.35 3gcu s TRP 197 Cb -0.18 -3.95 1.30 0.00 -1.50 0.00 0.00 33.47 29.13 3gcu s TRP 197 CO 0.51 -3.47 1.85 -1.33 -4.62 0.00 0.00 176.95 169.88 3gcu n MET 198 N 7.49 0.41 -2.78 5.86 2.81 -1.26 -3.70 117.12 125.94 3gcu n MET 198 Ca 0.19 0.04 -0.14 0.00 -1.81 0.00 0.00 57.70 55.98 3gcu n MET 198 Cb 0.44 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.46 3gcu n MET 198 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 3gcu n HIS 199 N -1.25 1.33 -1.57 2.03 1.44 -1.26 -5.12 115.22 110.82 3gcu n HIS 199 Ca 0.13 -3.14 -0.30 0.00 -2.01 0.00 0.00 57.72 52.40 3gcu n HIS 199 Cb 0.19 -0.36 0.10 0.00 0.12 0.00 0.00 29.99 30.03 3gcu n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3gcu s TYR 200 N -3.02 2.79 0.03 -1.40 1.13 -1.24 -5.07 117.35 110.57 3gcu s TYR 200 Ca 0.34 1.08 0.00 0.00 -1.41 0.00 0.00 57.07 57.09 3gcu s TYR 200 Cb 0.42 -3.18 -0.00 0.00 -1.10 0.00 0.00 41.96 38.10 3gcu s TYR 200 CO -0.03 -1.86 0.02 0.27 -2.51 0.00 0.00 175.55 171.44 3gcu n ASN 201 N -3.47 0.58 0.15 -0.18 0.23 -1.26 -5.05 115.26 106.26 3gcu n ASN 201 Ca 0.07 -1.19 0.16 0.00 -0.53 0.00 0.00 54.58 53.09 3gcu n ASN 201 Cb 0.57 0.11 0.75 0.00 -2.08 0.00 0.00 39.78 39.13 3gcu n ASN 201 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3gcu h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.98 -2.19 115.11 111.32 3gcu h GLN 202 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3gcu h GLN 202 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3gcu h GLN 202 CO 0.04 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.45 3gcu n THR 203 N -4.14 1.14 0.12 -0.54 -2.24 -1.26 -1.42 114.28 105.93 3gcu n THR 203 Ca 0.03 0.54 0.05 0.00 -2.27 0.00 0.00 64.05 62.40 3gcu n THR 203 Cb 0.37 -1.51 0.48 0.00 -2.10 0.00 0.00 70.33 67.57 3gcu n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3gcu h VAL 204 N 0.00 1.10 0.00 2.28 -1.51 -1.79 -2.62 116.25 113.71 3gcu h VAL 204 Ca 0.00 -0.34 -0.13 0.00 -1.23 0.00 0.00 66.70 65.01 3gcu h VAL 204 Cb 0.11 0.89 -0.02 0.00 -2.13 0.00 0.00 31.29 30.14 3gcu h VAL 204 CO 0.00 0.12 -0.60 0.44 -1.23 0.00 0.00 177.57 176.30 3gcu h ASP 205 N 0.28 0.00 -0.34 4.19 3.45 -1.50 -2.97 116.42 119.53 3gcu h ASP 205 Ca 0.07 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.37 3gcu h ASP 205 Cb 0.10 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 3gcu h ASP 205 CO -0.00 0.60 -0.41 0.40 -1.57 0.00 0.00 179.24 178.26 3gcu h ILE 206 N 0.00 1.27 -0.22 0.35 1.08 -1.59 -1.29 117.51 117.11 3gcu h ILE 206 Ca -0.01 -1.59 0.06 0.00 -0.39 0.00 0.00 64.86 62.93 3gcu h ILE 206 Cb 1.22 1.43 -0.07 0.00 -3.07 0.00 0.00 36.82 36.33 3gcu h ILE 206 CO 0.08 0.53 -0.27 -0.25 -0.69 0.00 0.00 178.15 177.54 3gcu h TRP 207 N 0.73 -0.74 -0.65 1.37 2.91 -1.46 -0.72 115.95 117.38 3gcu h TRP 207 Ca 0.05 0.04 0.06 0.00 1.13 0.00 0.00 58.89 60.17 3gcu h TRP 207 Cb 1.00 0.36 -0.06 0.00 -0.51 0.00 0.00 29.16 29.96 3gcu h TRP 207 CO 0.06 -0.35 0.35 0.77 -1.03 0.00 0.00 178.44 178.24 3gcu h SER 208 N -0.29 0.51 -0.88 2.65 0.02 -1.35 -1.63 113.55 112.57 3gcu h SER 208 Ca 0.13 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3gcu h SER 208 Cb 0.50 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 3gcu h SER 208 CO -0.39 0.33 0.50 0.58 -1.14 0.00 0.00 176.83 176.70 3gcu h VAL 209 N 0.65 1.25 -0.74 2.27 2.07 -0.64 -1.16 116.25 119.95 3gcu h VAL 209 Ca 0.29 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3gcu h VAL 209 Cb 0.20 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 3gcu h VAL 209 CO -0.19 0.28 0.48 1.23 0.02 0.00 0.00 177.57 179.39 3gcu h GLY 210 N 1.24 1.06 1.01 2.17 0.00 -0.26 0.89 103.07 109.19 3gcu h GLY 210 Ca 0.31 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 3gcu h GLY 210 CO -0.05 0.34 0.14 0.00 0.00 0.00 0.00 176.54 176.97 3gcu h ILE 212 N 0.83 1.21 -0.35 0.00 2.04 -0.97 -2.57 117.51 117.71 3gcu h ILE 212 Ca 0.18 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.37 3gcu h ILE 212 Cb 0.34 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 3gcu h ILE 212 CO 0.00 0.22 0.18 -0.03 0.00 0.00 0.00 178.15 178.53 3gcu h MET 213 N 0.21 0.37 -0.60 2.37 4.05 -0.74 -1.82 114.93 118.76 3gcu h MET 213 Ca 0.07 -0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.58 3gcu h MET 213 Cb 0.29 -0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 30.92 3gcu h MET 213 CO 0.00 0.24 0.17 0.00 0.23 0.00 0.00 176.91 177.55 3gcu h ALA 214 N 1.17 0.74 -0.46 0.39 0.00 -1.33 -1.12 119.26 118.64 3gcu h ALA 214 Ca 0.14 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3gcu h ALA 214 Cb 0.04 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3gcu h ALA 214 CO -0.09 -0.26 0.10 1.49 0.00 0.00 0.00 179.25 180.49 3gcu h GLU 215 N 0.32 0.69 -0.24 0.00 4.81 -1.21 -0.50 114.58 118.44 3gcu h GLU 215 Ca 0.31 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 3gcu h GLU 215 Cb 0.43 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 3gcu h GLU 215 CO -0.36 0.64 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.21 3gcu h LEU 216 N 0.67 0.48 -0.31 1.64 3.38 -0.41 0.26 115.31 121.02 3gcu h LEU 216 Ca 0.15 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 3gcu h LEU 216 Cb 0.27 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3gcu h LEU 216 CO -0.00 0.75 -0.82 -0.07 0.09 0.00 0.00 178.44 178.38 3gcu h LEU 217 N 0.41 0.46 0.00 1.67 3.38 -0.75 -3.38 115.31 117.10 3gcu h LEU 217 Ca 0.06 -0.33 -0.16 0.00 0.09 0.00 0.00 57.88 57.53 3gcu h LEU 217 Cb 0.71 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3gcu h LEU 217 CO 0.05 1.10 -2.00 0.35 0.09 0.00 0.00 178.44 178.03 3gcu n THR 218 N -3.78 0.59 -0.63 0.22 -2.24 -0.24 -4.99 114.28 103.21 3gcu n THR 218 Ca -0.05 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3gcu n THR 218 Cb 0.77 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 3gcu n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gcu n GLY 219 N 1.71 0.70 3.17 3.38 0.00 0.89 -5.05 105.19 109.99 3gcu n GLY 219 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 3gcu n GLY 219 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gcu s ARG 220 N -0.37 0.68 0.21 1.61 1.70 -1.22 -4.91 118.95 116.65 3gcu s ARG 220 Ca 0.00 -0.66 -0.32 0.00 -0.47 0.00 0.00 55.73 54.28 3gcu s ARG 220 Cb 0.00 0.28 -0.14 0.00 -0.57 0.00 0.00 34.95 34.52 3gcu s ARG 220 CO 0.00 -0.19 1.49 2.41 -1.08 0.00 0.00 175.30 177.92 3gcu n THR 221 N 0.68 0.55 0.10 4.99 -1.04 -1.26 -4.16 114.28 114.14 3gcu n THR 221 Ca -0.19 -0.14 -0.13 0.00 -2.04 0.00 0.00 64.05 61.56 3gcu n THR 221 Cb 0.59 -1.52 -0.08 0.00 -1.82 0.00 0.00 70.33 67.50 3gcu n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3gcu h LEU 222 N 4.96 -0.23 -6.85 -4.42 5.85 -1.92 -3.40 115.31 109.30 3gcu h LEU 222 Ca -0.45 -0.23 -0.61 0.00 0.84 0.00 0.00 57.88 57.42 3gcu h LEU 222 Cb 1.26 0.06 -0.40 0.00 0.37 0.00 0.00 40.66 41.95 3gcu h LEU 222 CO 0.81 0.13 -0.72 -0.36 -0.34 0.00 0.00 178.44 177.96 3gcu s PHE 223 N -4.69 2.61 -1.39 1.25 0.40 -1.26 -5.03 117.98 109.87 3gcu s PHE 223 Ca -0.14 -2.92 -0.12 0.00 -0.60 0.00 0.00 56.93 53.14 3gcu s PHE 223 Cb 0.02 -2.05 0.09 0.00 0.51 0.00 0.00 43.02 41.59 3gcu s PHE 223 CO 0.58 -0.67 2.09 -0.35 0.70 0.00 0.00 175.22 177.58 3gcu n PRO 224 N 2.44 3.15 -2.48 0.24 -0.04 -1.26 -4.51 135.00 132.54 3gcu n PRO 224 Ca 0.21 -2.97 -0.39 0.00 -0.04 0.00 0.00 63.50 60.32 3gcu n PRO 224 Cb 0.39 -3.15 -0.04 0.00 -0.04 0.00 0.00 33.50 30.66 3gcu n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3gcu s GLY 225 N 2.32 2.96 0.18 0.55 0.00 -1.26 -4.96 107.32 107.12 3gcu s GLY 225 Ca 0.44 0.85 0.26 0.00 0.00 0.00 0.00 44.72 46.27 3gcu s GLY 225 CO -0.05 1.40 1.65 -1.30 0.00 0.00 0.00 173.10 174.79 3gcu n THR 226 N 0.75 0.52 -3.34 0.90 -2.24 -1.26 -4.80 114.28 104.81 3gcu n THR 226 Ca 0.01 -0.28 -0.02 0.00 -2.27 0.00 0.00 64.05 61.48 3gcu n THR 226 Cb 0.46 -0.45 0.01 0.00 -2.10 0.00 0.00 70.33 68.25 3gcu n THR 226 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3gcu n ASP 227 N -2.21 -0.72 0.06 3.42 3.85 -1.26 -5.02 116.55 114.67 3gcu n ASP 227 Ca 0.05 -1.47 -0.06 0.00 -0.71 0.00 0.00 54.79 52.59 3gcu n ASP 227 Cb 0.43 1.19 0.11 0.00 -1.35 0.00 0.00 41.12 41.50 3gcu n ASP 227 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 3gcu h HIS 228 N 1.33 0.43 0.01 2.11 3.86 -1.99 -1.08 115.15 119.82 3gcu h HIS 228 Ca -0.11 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 58.95 3gcu h HIS 228 Cb 0.41 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.80 3gcu h HIS 228 CO 0.00 0.83 -0.00 0.82 0.86 0.00 0.00 177.93 180.44 3gcu h ILE 229 N 0.26 1.34 -0.42 2.45 1.08 -1.96 -2.53 117.51 117.73 3gcu h ILE 229 Ca -0.00 -1.03 0.04 0.00 -0.39 0.00 0.00 64.86 63.48 3gcu h ILE 229 Cb 1.08 2.04 -0.04 0.00 -3.07 0.00 0.00 36.82 36.83 3gcu h ILE 229 CO 0.10 0.27 0.17 -0.78 -0.69 0.00 0.00 178.15 177.21 3gcu h ASP 230 N -0.45 0.21 -0.44 1.72 -0.00 -1.95 -0.73 116.42 114.79 3gcu h ASP 230 Ca -0.00 0.04 0.09 0.00 -0.00 0.00 0.00 57.03 57.16 3gcu h ASP 230 Cb 0.44 0.01 -0.09 0.00 -0.00 0.00 0.00 39.33 39.69 3gcu h ASP 230 CO 0.00 0.16 -0.17 -0.61 -0.00 0.00 0.00 179.24 178.62 3gcu h GLN 231 N 0.35 -0.08 -0.50 0.28 5.75 -1.22 0.38 115.11 120.07 3gcu h GLN 231 Ca 0.19 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 3gcu h GLN 231 Cb 0.15 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 3gcu h GLN 231 CO -0.17 -0.05 0.18 -0.07 -2.65 0.00 0.00 178.83 176.07 3gcu h LEU 232 N -0.08 0.70 -0.16 -2.39 3.38 -1.02 -1.75 115.31 113.99 3gcu h LEU 232 Ca 0.21 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3gcu h LEU 232 Cb 0.40 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3gcu h LEU 232 CO -0.49 0.70 -0.14 0.11 0.09 0.00 0.00 178.44 178.71 3gcu h LYS 233 N 0.67 -0.15 -0.88 1.13 1.57 -0.45 -1.23 116.57 117.24 3gcu h LYS 233 Ca 0.16 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3gcu h LYS 233 Cb 0.22 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 3gcu h LYS 233 CO -0.01 -0.10 0.58 -0.07 -0.57 0.00 0.00 179.45 179.28 3gcu h LEU 234 N -0.15 1.01 -0.19 2.94 3.38 -0.75 -1.99 115.31 119.56 3gcu h LEU 234 Ca 0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3gcu h LEU 234 Cb 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3gcu h LEU 234 CO -0.25 0.74 0.05 0.40 0.09 0.00 0.00 178.44 179.46 3gcu h ILE 235 N 1.19 1.20 0.00 1.22 2.04 -0.99 -3.10 117.51 119.07 3gcu h ILE 235 Ca 0.32 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 3gcu h ILE 235 Cb -0.13 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3gcu h ILE 235 CO -0.07 0.20 -0.30 -0.07 0.00 0.00 0.00 178.15 177.91 3gcu h LEU 236 N 0.11 0.00 -1.80 1.44 3.38 -0.79 -0.73 115.31 116.92 3gcu h LEU 236 Ca 0.06 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3gcu h LEU 236 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3gcu h LEU 236 CO 0.00 0.30 0.18 0.03 0.09 0.00 0.00 178.44 179.03 3gcu h ARG 237 N 0.00 0.25 0.00 1.13 3.08 -1.29 0.16 114.38 117.71 3gcu h ARG 237 Ca -0.00 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 3gcu h ARG 237 Cb 0.55 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3gcu h ARG 237 CO 0.04 0.17 -0.86 1.25 -1.07 0.00 0.00 179.97 179.49 3gcu h LEU 238 N 0.26 0.00 0.00 3.04 5.85 -1.37 -3.42 115.31 119.67 3gcu h LEU 238 Ca 0.11 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3gcu h LEU 238 Cb 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3gcu h LEU 238 CO -0.02 1.23 -0.84 1.33 -0.34 0.00 0.00 178.44 179.80 3gcu n VAL 239 N -4.51 0.17 0.00 1.05 0.24 -0.35 -1.56 118.33 113.37 3gcu n VAL 239 Ca -0.22 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 3gcu n VAL 239 Cb 0.54 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 3gcu n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gcu n GLY 240 N 1.39 0.16 3.76 7.63 0.00 0.56 -4.22 105.19 114.47 3gcu n GLY 240 Ca 0.03 -1.60 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 3gcu n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gcu s THR 241 N -2.87 2.36 0.14 2.61 -4.23 -0.34 -4.78 115.64 108.52 3gcu s THR 241 Ca 0.00 0.29 -0.31 0.00 -1.18 0.00 0.00 61.69 60.49 3gcu s THR 241 Cb 0.00 -3.16 -0.18 0.00 1.34 0.00 0.00 72.50 70.51 3gcu s THR 241 CO 0.00 0.02 0.68 -2.65 -0.54 0.00 0.00 174.62 172.12 3gcu n PRO 242 N -0.54 0.00 -1.25 3.99 -0.02 -1.26 -4.91 135.00 131.01 3gcu n PRO 242 Ca 0.07 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.25 3gcu n PRO 242 Cb 0.45 -1.14 0.23 0.00 -0.02 0.00 0.00 33.50 33.02 3gcu n PRO 242 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3gcu s GLY 243 N -0.70 1.62 0.12 -1.23 0.00 -1.26 -4.80 107.32 101.07 3gcu s GLY 243 Ca 0.71 -1.00 -0.15 0.00 0.00 0.00 0.00 44.72 44.28 3gcu s GLY 243 CO 0.56 -0.14 1.55 0.00 0.00 0.00 0.00 173.10 175.07 3gcu h ALA 244 N -2.40 0.53 -0.42 3.20 0.00 -1.99 -1.31 119.26 116.87 3gcu h ALA 244 Ca -0.45 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.27 3gcu h ALA 244 Cb 1.28 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 3gcu h ALA 244 CO 0.35 0.34 -0.24 0.93 0.00 0.00 0.00 179.25 180.62 3gcu h GLU 245 N 0.52 -0.16 -0.19 0.00 4.39 -2.00 -2.48 114.58 114.66 3gcu h GLU 245 Ca 0.10 0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.68 3gcu h GLU 245 Cb 0.53 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3gcu h GLU 245 CO 0.03 -0.11 -0.42 1.25 -1.16 0.00 0.00 179.01 178.60 3gcu h LEU 246 N -0.17 0.69 -1.53 1.33 5.85 -1.91 -3.13 115.31 116.44 3gcu h LEU 246 Ca 0.20 -0.56 0.15 0.00 0.84 0.00 0.00 57.88 58.50 3gcu h LEU 246 Cb 0.48 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 3gcu h LEU 246 CO -0.52 1.13 0.51 -0.07 -0.34 0.00 0.00 178.44 179.16 3gcu h LEU 247 N 0.28 0.44 -1.94 2.25 3.38 -1.14 -1.20 115.31 117.38 3gcu h LEU 247 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3gcu h LEU 247 Cb 1.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3gcu h LEU 247 CO 0.09 0.23 -0.08 0.11 0.09 0.00 0.00 178.44 178.88 3gcu h LYS 248 N 0.47 0.00 -0.00 1.13 1.57 -1.39 -2.06 116.57 116.29 3gcu h LYS 248 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3gcu h LYS 248 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3gcu h LYS 248 CO -0.13 0.08 -0.08 1.63 -0.57 0.00 0.00 179.45 180.38 3gcu n LYS 249 N -3.41 0.37 -3.55 3.15 5.02 -0.45 -4.61 118.16 114.68 3gcu n LYS 249 Ca -0.01 -0.07 -0.40 0.00 -2.02 0.00 0.00 58.31 55.80 3gcu n LYS 249 Cb 0.24 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.64 3gcu n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gcu s ILE 250 N -2.68 5.11 -2.39 -0.18 1.01 -0.78 -4.95 121.20 116.35 3gcu s ILE 250 Ca 0.24 -0.37 0.25 0.00 0.00 0.00 0.00 60.65 60.77 3gcu s ILE 250 Cb 0.20 -3.67 0.52 0.00 0.01 0.00 0.00 42.46 39.52 3gcu s ILE 250 CO 0.50 -0.06 1.68 -1.20 0.00 0.00 0.00 174.94 175.86 3gcu n SER 251 N 5.09 1.51 -4.63 3.58 7.64 -1.26 -4.82 113.62 120.73 3gcu n SER 251 Ca -0.13 -1.57 -0.41 0.00 1.01 0.00 0.00 58.87 57.77 3gcu n SER 251 Cb 0.49 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 3gcu n SER 251 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3gcu s SER 252 N -1.82 6.62 0.06 6.43 0.15 -1.26 -4.97 113.70 118.92 3gcu s SER 252 Ca 0.36 0.73 -0.24 0.00 0.70 0.00 0.00 55.95 57.50 3gcu s SER 252 Cb 0.19 -2.36 -0.16 0.00 -1.71 0.00 0.00 66.02 61.98 3gcu s SER 252 CO 0.30 -0.42 1.62 -0.08 1.20 0.00 0.00 173.24 175.86 3gcu h GLU 253 N 7.90 -0.10 -1.00 5.44 4.57 -2.00 -1.87 114.58 127.52 3gcu h GLU 253 Ca -0.26 0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.02 3gcu h GLU 253 Cb 1.12 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 29.65 3gcu h GLU 253 CO 0.80 0.03 0.64 0.66 -1.18 0.00 0.00 179.01 179.96 3gcu h SER 254 N -0.21 0.98 0.43 1.04 4.64 -1.99 -0.37 113.55 118.08 3gcu h SER 254 Ca -0.01 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 3gcu h SER 254 Cb 0.17 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gcu h SER 254 CO 0.02 0.58 -0.20 0.00 -0.87 0.00 0.00 176.83 176.35 3gcu h ALA 255 N 1.50 -0.57 -0.69 5.18 0.00 -1.93 -1.31 119.26 121.44 3gcu h ALA 255 Ca 0.47 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.30 3gcu h ALA 255 Cb 0.33 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.22 3gcu h ALA 255 CO -0.22 -0.69 -0.38 0.00 0.00 0.00 0.00 179.25 177.96 3gcu h ARG 256 N -0.83 -0.13 -0.56 0.00 3.08 -1.12 -0.79 114.38 114.03 3gcu h ARG 256 Ca -0.06 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 3gcu h ARG 256 Cb 0.55 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3gcu h ARG 256 CO 0.10 -0.09 0.11 -0.91 -1.07 0.00 0.00 179.97 178.11 3gcu h ASN 257 N -0.14 0.82 0.37 7.04 -0.26 -1.09 -0.91 115.58 121.42 3gcu h ASN 257 Ca 0.24 -0.16 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 3gcu h ASN 257 Cb 0.56 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 3gcu h ASN 257 CO -0.76 0.81 -0.32 0.22 -1.06 0.00 0.00 177.43 176.32 3gcu h TYR 258 N 0.83 -0.87 -0.88 1.19 5.03 -0.43 -1.88 116.97 119.97 3gcu h TYR 258 Ca 0.18 0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.53 3gcu h TYR 258 Cb 0.33 0.33 -0.05 0.00 1.55 0.00 0.00 36.73 38.89 3gcu h TYR 258 CO 0.02 -0.47 0.56 0.82 -1.32 0.00 0.00 178.16 177.77 3gcu h ILE 259 N -0.71 1.12 0.00 1.81 2.04 -0.89 -1.87 117.51 119.01 3gcu h ILE 259 Ca -0.03 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3gcu h ILE 259 Cb 0.62 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3gcu h ILE 259 CO -0.03 0.20 -0.12 1.56 0.00 0.00 0.00 178.15 179.76 3gcu h GLN 260 N 1.08 0.00 -0.00 2.37 4.20 -0.96 -2.13 115.11 119.66 3gcu h GLN 260 Ca 0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.07 3gcu h GLN 260 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3gcu h GLN 260 CO -0.13 0.12 -0.19 -1.13 -0.67 0.00 0.00 178.83 176.83 3gcu n SER 261 N -3.84 0.42 -4.80 1.46 3.41 -0.71 -4.85 113.62 104.72 3gcu n SER 261 Ca -0.02 -0.30 -0.33 0.00 -0.26 0.00 0.00 58.87 57.96 3gcu n SER 261 Cb 0.21 -0.07 0.03 0.00 -0.26 0.00 0.00 64.21 64.12 3gcu n SER 261 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gcu s LEU 262 N -2.71 3.41 0.03 1.04 1.02 -0.80 -4.98 118.68 115.70 3gcu s LEU 262 Ca 0.21 1.84 -0.30 0.00 0.02 0.00 0.00 54.13 55.90 3gcu s LEU 262 Cb 0.19 -4.53 -0.08 0.00 0.02 0.00 0.00 46.19 41.78 3gcu s LEU 262 CO 0.54 -1.35 1.88 -0.89 0.02 0.00 0.00 176.35 176.55 3gcu s THR 263 N -2.51 3.06 0.06 5.49 2.01 -1.26 -4.94 115.64 117.56 3gcu s THR 263 Ca 0.64 0.17 -0.31 0.00 0.31 0.00 0.00 61.69 62.50 3gcu s THR 263 Cb -0.17 -3.11 -0.07 0.00 0.01 0.00 0.00 72.50 69.16 3gcu s THR 263 CO 0.41 -0.01 1.42 -1.10 -0.69 0.00 0.00 174.62 174.64 3gcu s GLN 264 N 4.06 4.29 -0.21 4.92 -1.52 -1.26 -4.97 119.66 124.97 3gcu s GLN 264 Ca 0.84 2.05 -0.08 0.00 -1.95 0.00 0.00 55.36 56.22 3gcu s GLN 264 Cb -0.41 -3.42 -0.04 0.00 -0.22 0.00 0.00 33.01 28.92 3gcu s GLN 264 CO 0.38 -0.52 0.09 -1.64 -0.25 0.00 0.00 175.29 173.35 3gcu s MET 265 N 1.79 3.93 0.70 2.91 -1.94 -1.26 -4.98 119.30 120.44 3gcu s MET 265 Ca 0.65 -0.36 -0.12 0.00 -1.71 0.00 0.00 55.69 54.16 3gcu s MET 265 Cb -0.35 -3.31 0.01 0.00 2.01 0.00 0.00 34.83 33.19 3gcu s MET 265 CO 0.29 0.13 1.08 -1.25 -0.01 0.00 0.00 175.02 175.25 3gcu s PRO 266 N 0.79 2.77 0.14 2.03 0.04 -1.26 -1.20 135.00 138.32 3gcu s PRO 266 Ca 0.05 1.12 -0.31 0.00 0.04 0.00 0.00 61.00 61.89 3gcu s PRO 266 Cb -0.13 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 3gcu s PRO 266 CO 0.02 -1.24 1.66 0.21 0.04 0.00 0.00 177.00 177.69 3gcu s LYS 267 N -4.71 4.18 0.39 4.56 2.20 -1.26 -3.85 119.74 121.26 3gcu s LYS 267 Ca 0.61 2.43 -0.24 0.00 -0.36 0.00 0.00 55.97 58.42 3gcu s LYS 267 Cb -0.16 -3.32 -0.10 0.00 -1.51 0.00 0.00 37.83 32.74 3gcu s LYS 267 CO 0.50 -0.70 0.99 -1.64 -0.36 0.00 0.00 175.35 174.15 3gcu s MET 268 N 1.76 4.28 -0.24 4.03 -1.94 -0.60 -4.94 119.30 121.64 3gcu s MET 268 Ca 0.73 1.35 -0.29 0.00 -1.71 0.00 0.00 55.69 55.77 3gcu s MET 268 Cb -0.44 -2.49 0.00 0.00 2.01 0.00 0.00 34.83 33.91 3gcu s MET 268 CO 0.32 -0.01 1.19 1.21 -0.01 0.00 0.00 175.02 177.73 3gcu s ASN 269 N -1.77 6.90 0.44 3.03 3.04 -1.26 -4.91 114.94 120.41 3gcu s ASN 269 Ca 0.57 1.38 0.14 0.00 0.04 0.00 0.00 52.86 55.00 3gcu s ASN 269 Cb -0.17 -2.54 0.96 0.00 -1.54 0.00 0.00 41.25 37.96 3gcu s ASN 269 CO 0.22 -0.85 1.97 -0.26 -3.04 0.00 0.00 177.10 175.14 3gcu h PHE 270 N 8.32 0.00 0.00 0.43 0.05 -1.94 0.01 116.94 123.81 3gcu h PHE 270 Ca -0.24 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.54 3gcu h PHE 270 Cb 1.08 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.03 3gcu h PHE 270 CO 0.82 0.21 -0.08 0.00 -0.18 0.00 0.00 178.31 179.07 3gcu h ALA 271 N 1.79 1.48 0.00 2.45 0.00 -1.90 0.71 119.26 123.79 3gcu h ALA 271 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gcu h ALA 271 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3gcu h ALA 271 CO 0.03 0.10 -0.52 0.09 0.00 0.00 0.00 179.25 178.95 3gcu n ASN 272 N -3.89 0.56 -0.11 0.00 3.02 -0.03 -4.25 115.26 110.56 3gcu n ASN 272 Ca -0.02 -0.01 -0.24 0.00 -0.03 0.00 0.00 54.58 54.27 3gcu n ASN 272 Cb 0.18 0.15 -0.11 0.00 -0.61 0.00 0.00 39.78 39.38 3gcu n ASN 272 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3gcu n VAL 273 N -1.79 1.56 -3.20 2.41 0.31 -0.37 -4.71 118.33 112.53 3gcu n VAL 273 Ca 0.05 -0.23 -0.45 0.00 -0.01 0.00 0.00 64.34 63.70 3gcu n VAL 273 Cb 0.39 -1.93 -0.01 0.00 -0.91 0.00 0.00 33.84 31.38 3gcu n VAL 273 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3gcu s PHE 274 N -2.44 3.91 0.13 3.52 0.40 0.10 -4.98 117.98 118.61 3gcu s PHE 274 Ca -0.32 -2.34 -0.30 0.00 -0.60 0.00 0.00 56.93 53.37 3gcu s PHE 274 Cb 0.09 -4.00 -0.07 0.00 0.51 0.00 0.00 43.02 39.55 3gcu s PHE 274 CO 0.58 -1.12 1.22 0.42 0.70 0.00 0.00 175.22 177.02 3gcu s ILE 275 N 0.01 3.73 0.00 0.64 1.01 -1.26 -2.86 121.20 122.47 3gcu s ILE 275 Ca 0.32 1.33 0.00 0.00 0.00 0.00 0.00 60.65 62.31 3gcu s ILE 275 Cb -0.08 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.54 3gcu s ILE 275 CO -0.06 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.65 3gcu n GLY 276 N 2.76 1.56 3.79 6.18 0.00 -1.26 -5.02 105.19 113.19 3gcu n GLY 276 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3gcu n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gcu s ALA 277 N -3.35 2.79 -0.29 4.61 0.00 -1.13 -4.96 121.76 119.42 3gcu s ALA 277 Ca 0.00 0.71 -0.41 0.00 0.00 0.00 0.00 51.96 52.26 3gcu s ALA 277 Cb 0.00 -3.31 -0.17 0.00 0.00 0.00 0.00 23.12 19.65 3gcu s ALA 277 CO 0.00 -0.53 1.69 -1.71 0.00 0.00 0.00 175.76 175.21 3gcu n ASN 278 N -1.12 2.11 -0.32 0.00 2.85 -1.26 -4.84 115.26 112.68 3gcu n ASN 278 Ca 0.10 1.10 0.27 0.00 -0.11 0.00 0.00 54.58 55.94 3gcu n ASN 278 Cb 0.52 -1.09 0.58 0.00 1.24 0.00 0.00 39.78 41.03 3gcu n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3gcu h PRO 279 N 6.63 0.26 -0.13 1.20 0.11 -1.97 0.12 132.00 138.23 3gcu h PRO 279 Ca -0.46 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 3gcu h PRO 279 Cb 1.33 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3gcu h PRO 279 CO 0.95 0.17 -0.39 -0.07 -0.21 0.00 0.00 178.00 178.45 3gcu h LEU 280 N 0.27 0.29 -0.39 2.35 3.38 -1.99 -1.27 115.31 117.95 3gcu h LEU 280 Ca 0.59 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 58.31 3gcu h LEU 280 Cb 1.75 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 3gcu h LEU 280 CO -0.22 0.65 -0.30 0.00 0.09 0.00 0.00 178.44 178.67 3gcu h ALA 281 N 1.36 0.56 -0.26 1.53 0.00 -1.13 -1.84 119.26 119.47 3gcu h ALA 281 Ca 0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3gcu h ALA 281 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3gcu h ALA 281 CO 0.06 0.59 0.13 0.28 0.00 0.00 0.00 179.25 180.32 3gcu h VAL 282 N 0.69 1.13 -0.82 0.00 2.07 -1.25 -0.36 116.25 117.71 3gcu h VAL 282 Ca 0.07 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.28 3gcu h VAL 282 Cb 0.88 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 3gcu h VAL 282 CO 0.08 0.13 0.51 -0.78 0.02 0.00 0.00 177.57 177.53 3gcu h ASP 283 N 0.29 0.81 -0.53 0.57 3.58 -1.17 -0.72 116.42 119.25 3gcu h ASP 283 Ca 0.09 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.46 3gcu h ASP 283 Cb 0.09 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 3gcu h ASP 283 CO -0.01 0.53 -0.01 0.25 -2.88 0.00 0.00 179.24 177.11 3gcu h LEU 284 N 0.94 0.93 -0.78 2.28 5.85 -0.88 -2.75 115.31 120.90 3gcu h LEU 284 Ca 0.35 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3gcu h LEU 284 Cb 0.13 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3gcu h LEU 284 CO -0.16 1.02 0.34 -0.07 -0.34 0.00 0.00 178.44 179.23 3gcu h LEU 285 N 0.82 1.05 -0.97 2.25 3.38 -0.66 -1.68 115.31 119.49 3gcu h LEU 285 Ca 0.15 -0.16 0.16 0.00 0.09 0.00 0.00 57.88 58.12 3gcu h LEU 285 Cb 0.55 -0.27 -0.10 0.00 0.09 0.00 0.00 40.66 40.93 3gcu h LEU 285 CO 0.03 0.92 0.58 -0.33 0.09 0.00 0.00 178.44 179.73 3gcu h GLU 286 N 1.12 0.78 0.00 1.13 4.39 -0.92 -0.49 114.58 120.59 3gcu h GLU 286 Ca 0.26 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.86 3gcu h GLU 286 Cb 0.18 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3gcu h GLU 286 CO -0.03 0.52 -0.25 0.87 -1.16 0.00 0.00 179.01 178.96 3gcu h LYS 287 N 0.80 0.00 0.12 2.33 1.57 -1.04 -3.31 116.57 117.04 3gcu h LYS 287 Ca 0.53 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.95 3gcu h LYS 287 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 3gcu h LYS 287 CO -0.35 0.25 -2.03 -1.33 -0.57 0.00 0.00 179.45 175.42 3gcu n MET 288 N -3.25 0.75 -1.95 3.15 2.81 -0.86 -1.75 117.12 116.02 3gcu n MET 288 Ca 0.02 0.25 -0.36 0.00 -1.81 0.00 0.00 57.70 55.80 3gcu n MET 288 Cb 0.54 -1.70 0.00 0.00 -0.71 0.00 0.00 33.22 31.36 3gcu n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3gcu n LEU 289 N -3.46 7.27 -4.78 4.03 4.77 -0.25 -4.25 117.00 120.33 3gcu n LEU 289 Ca -0.33 -4.73 -0.37 0.00 -0.03 0.00 0.00 56.01 50.55 3gcu n LEU 289 Cb 1.04 -1.18 -0.07 0.00 -2.33 0.00 0.00 43.42 40.88 3gcu n LEU 289 CO 0.42 1.86 -0.04 -0.69 -1.33 0.00 0.00 177.39 177.61 3gcu s VAL 290 N -3.49 5.30 0.09 4.08 1.01 -1.26 -4.91 120.40 121.22 3gcu s VAL 290 Ca 0.52 0.51 -0.21 0.00 0.00 0.00 0.00 61.98 62.80 3gcu s VAL 290 Cb 0.33 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 3gcu s VAL 290 CO -0.25 0.48 1.68 0.25 0.00 0.00 0.00 175.10 177.27 3gcu h LEU 291 N 5.88 0.17 -8.71 3.92 5.85 -1.92 -3.38 115.31 117.12 3gcu h LEU 291 Ca -0.46 -0.09 -0.55 0.00 0.84 0.00 0.00 57.88 57.62 3gcu h LEU 291 Cb 1.19 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 3gcu h LEU 291 CO 0.69 0.21 1.26 -0.62 -0.34 0.00 0.00 178.44 179.64 3gcu s ASP 292 N -5.43 5.77 0.52 1.25 -1.08 -1.26 -4.86 116.67 111.59 3gcu s ASP 292 Ca -0.13 0.84 0.22 0.00 -0.52 0.00 0.00 52.55 52.96 3gcu s ASP 292 Cb 0.07 -2.53 1.34 0.00 -1.46 0.00 0.00 42.92 40.34 3gcu s ASP 292 CO 0.69 -1.89 2.04 0.77 0.52 0.00 0.00 175.17 177.29 3gcu h SER 293 N 13.11 0.02 0.47 -0.34 4.64 -1.97 -0.25 113.55 129.23 3gcu h SER 293 Ca -0.30 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.01 3gcu h SER 293 Cb 1.15 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3gcu h SER 293 CO 1.11 0.01 -0.05 0.44 -0.87 0.00 0.00 176.83 177.47 3gcu h ASP 294 N 0.02 0.00 0.32 4.97 3.32 -1.94 -2.71 116.42 120.41 3gcu h ASP 294 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3gcu h ASP 294 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3gcu h ASP 294 CO -0.01 0.05 -0.60 0.29 -1.72 0.00 0.00 179.24 177.26 3gcu n LYS 295 N -3.32 0.15 -2.20 3.56 4.76 -0.11 -4.96 118.16 116.04 3gcu n LYS 295 Ca -0.01 -0.10 -0.36 0.00 -2.87 0.00 0.00 58.31 54.96 3gcu n LYS 295 Cb 0.22 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 3gcu n LYS 295 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3gcu s ARG 296 N -2.92 3.44 0.53 1.97 0.52 -1.02 -4.96 118.95 116.50 3gcu s ARG 296 Ca 0.12 1.74 -0.21 0.00 -0.52 0.00 0.00 55.73 56.86 3gcu s ARG 296 Cb 0.17 -2.16 -0.06 0.00 0.52 0.00 0.00 34.95 33.43 3gcu s ARG 296 CO 0.72 -0.81 1.20 -1.50 0.02 0.00 0.00 175.30 174.93 3gcu s ILE 297 N -1.64 2.82 0.61 1.52 2.07 -0.72 -5.03 121.20 120.84 3gcu s ILE 297 Ca 0.70 0.56 -0.03 0.00 -1.41 0.00 0.00 60.65 60.47 3gcu s ILE 297 Cb -0.27 -3.26 0.04 0.00 0.13 0.00 0.00 42.46 39.10 3gcu s ILE 297 CO 0.32 -0.06 0.88 0.42 -1.91 0.00 0.00 174.94 174.59 3gcu s THR 298 N -1.56 2.74 0.16 4.00 -4.23 -1.26 -4.91 115.64 110.57 3gcu s THR 298 Ca 0.71 -0.41 -0.16 0.00 -1.18 0.00 0.00 61.69 60.65 3gcu s THR 298 Cb -0.30 -3.10 0.02 0.00 1.34 0.00 0.00 72.50 70.47 3gcu s THR 298 CO 0.35 -0.09 1.81 0.00 -0.54 0.00 0.00 174.62 176.15 3gcu h ALA 299 N -0.20 0.53 -0.50 3.99 0.00 -1.93 -0.48 119.26 120.66 3gcu h ALA 299 Ca -0.44 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.49 3gcu h ALA 299 Cb 1.30 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3gcu h ALA 299 CO 0.57 -0.06 0.28 0.00 0.00 0.00 0.00 179.25 180.05 3gcu h ALA 300 N 1.17 0.64 -0.53 0.00 0.00 -1.92 -2.30 119.26 116.32 3gcu h ALA 300 Ca 0.16 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3gcu h ALA 300 Cb -0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3gcu h ALA 300 CO -0.06 -0.03 0.21 1.96 0.00 0.00 0.00 179.25 181.33 3gcu h GLN 301 N 0.56 0.79 -0.70 0.00 4.20 -1.91 -3.16 115.11 114.89 3gcu h GLN 301 Ca 0.21 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3gcu h GLN 301 Cb 0.05 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 3gcu h GLN 301 CO -0.11 0.70 0.35 0.00 -0.67 0.00 0.00 178.83 179.09 3gcu h ALA 302 N 1.06 1.29 -0.52 3.87 0.00 -0.75 -1.24 119.26 122.96 3gcu h ALA 302 Ca 0.18 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3gcu h ALA 302 Cb 0.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3gcu h ALA 302 CO -0.01 0.56 0.36 -0.07 0.00 0.00 0.00 179.25 180.08 3gcu h LEU 303 N 0.99 0.13 -0.75 0.00 3.38 -1.39 -1.10 115.31 116.59 3gcu h LEU 303 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3gcu h LEU 303 Cb 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3gcu h LEU 303 CO -0.03 0.08 -0.06 0.00 0.09 0.00 0.00 178.44 178.52 3gcu n ALA 304 N -2.59 2.69 -1.77 1.53 0.00 -0.48 -4.69 120.51 115.20 3gcu n ALA 304 Ca 0.09 -0.41 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 3gcu n ALA 304 Cb 0.49 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 3gcu n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3gcu s HIS 305 N -2.13 3.02 0.62 0.00 5.04 -0.42 -4.89 115.29 116.53 3gcu s HIS 305 Ca 0.36 1.40 0.30 0.00 -1.54 0.00 0.00 55.06 55.58 3gcu s HIS 305 Cb 0.21 -3.70 1.66 0.00 0.04 0.00 0.00 32.58 30.79 3gcu s HIS 305 CO 0.38 -1.91 2.01 0.00 -2.34 0.00 0.00 174.74 172.88 3gcu h ALA 306 N 3.35 1.70 -1.01 1.58 0.00 -1.91 -0.35 119.26 122.63 3gcu h ALA 306 Ca -0.49 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 54.67 3gcu h ALA 306 Cb 1.23 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 3gcu h ALA 306 CO 0.65 -0.40 0.60 -0.92 0.00 0.00 0.00 179.25 179.18 3gcu h TYR 307 N 0.00 0.99 -0.73 0.00 3.20 -1.90 -2.37 116.97 116.15 3gcu h TYR 307 Ca 0.09 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.78 3gcu h TYR 307 Cb 0.70 -0.28 -0.13 0.00 1.54 0.00 0.00 36.73 38.56 3gcu h TYR 307 CO 0.00 0.03 0.26 1.19 -1.64 0.00 0.00 178.16 178.00 3gcu n PHE 308 N -4.90 2.42 -0.07 -3.82 3.01 -0.14 -4.66 117.46 109.30 3gcu n PHE 308 Ca 0.28 -1.21 0.17 0.00 1.01 0.00 0.00 57.45 57.70 3gcu n PHE 308 Cb 0.79 -0.68 0.59 0.00 -0.01 0.00 0.00 39.48 40.17 3gcu n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gcu h ALA 309 N 2.65 2.27 0.00 4.37 0.00 -1.56 0.21 119.26 127.19 3gcu h ALA 309 Ca 0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 3gcu h ALA 309 Cb 2.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 20.09 3gcu h ALA 309 CO 0.73 -0.43 -0.17 0.37 0.00 0.00 0.00 179.25 179.75 3gcu h GLN 310 N 0.22 0.00 0.00 0.00 5.75 -1.86 -3.35 115.11 115.87 3gcu h GLN 310 Ca 0.29 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.64 3gcu h GLN 310 Cb 0.84 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.37 3gcu h GLN 310 CO -0.06 0.17 -1.59 0.66 -2.65 0.00 0.00 178.83 175.37 3gcu n TYR 311 N -3.44 0.00 -1.77 3.99 4.02 0.12 -5.02 117.16 115.05 3gcu n TYR 311 Ca -0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.46 3gcu n TYR 311 Cb 0.35 -0.41 -0.03 0.00 -0.02 0.00 0.00 39.34 39.23 3gcu n TYR 311 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3gcu s HIS 312 N -2.21 2.93 -0.25 -0.72 2.46 0.51 -4.99 115.29 113.02 3gcu s HIS 312 Ca -0.08 0.40 -0.03 0.00 0.47 0.00 0.00 55.06 55.82 3gcu s HIS 312 Cb 0.03 -4.10 0.10 0.00 -0.13 0.00 0.00 32.58 28.49 3gcu s HIS 312 CO 0.31 -4.14 0.20 0.34 -2.47 0.00 0.00 174.74 168.98 3gcu s ASP 313 N 1.20 2.13 0.61 9.88 -1.08 -1.26 -4.99 116.67 123.16 3gcu s ASP 313 Ca 0.74 -0.70 0.38 0.00 -0.52 0.00 0.00 52.55 52.45 3gcu s ASP 313 Cb -0.48 0.16 1.94 0.00 -1.46 0.00 0.00 42.92 43.08 3gcu s ASP 313 CO 0.32 -0.38 2.21 -0.65 0.52 0.00 0.00 175.17 177.19 3gcu h PRO 314 N 8.34 0.00 -0.19 4.34 0.11 -1.97 0.09 132.00 142.72 3gcu h PRO 314 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3gcu h PRO 314 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3gcu h PRO 314 CO 0.34 0.02 0.00 -0.25 -0.21 0.00 0.00 178.00 177.90 3gcu n ASP 315 N -3.22 1.92 -2.67 -2.05 10.43 -1.26 -4.22 116.55 115.48 3gcu n ASP 315 Ca -0.02 -1.75 -0.08 0.00 2.57 0.00 0.00 54.79 55.52 3gcu n ASP 315 Cb 0.16 -0.12 0.04 0.00 1.84 0.00 0.00 41.12 43.04 3gcu n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3gcu n ASP 316 N 0.49 2.08 -3.29 -2.24 4.64 0.02 -4.90 116.55 113.35 3gcu n ASP 316 Ca 0.17 -2.57 -0.25 0.00 -1.38 0.00 0.00 54.79 50.75 3gcu n ASP 316 Cb 0.37 -0.48 -0.08 0.00 -1.04 0.00 0.00 41.12 39.89 3gcu n ASP 316 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3gcu n GLU 317 N -0.40 1.01 -1.32 -0.67 1.02 -1.21 -4.84 120.64 114.23 3gcu n GLU 317 Ca 0.14 -3.53 -0.31 0.00 -0.02 0.00 0.00 57.16 53.43 3gcu n GLU 317 Cb 0.81 -1.52 0.08 0.00 -0.02 0.00 0.00 31.44 30.80 3gcu n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3gcu s PRO 318 N -1.24 2.37 0.31 3.49 0.04 -1.26 -4.98 135.00 133.73 3gcu s PRO 318 Ca 0.35 1.15 0.07 0.00 0.04 0.00 0.00 61.00 62.61 3gcu s PRO 318 Cb 0.14 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.74 3gcu s PRO 318 CO -0.11 -1.56 0.28 0.14 0.04 0.00 0.00 177.00 175.80 3gcu s VAL 319 N -2.90 3.85 0.41 -0.36 -7.23 -1.26 -4.19 120.40 108.71 3gcu s VAL 319 Ca 0.61 -1.34 -0.22 0.00 -1.81 0.00 0.00 61.98 59.21 3gcu s VAL 319 Cb -0.17 -3.27 -0.10 0.00 0.56 0.00 0.00 36.38 33.40 3gcu s VAL 319 CO 0.55 -0.22 0.96 0.00 -0.31 0.00 0.00 175.10 176.09 3gcu s ALA 320 N -2.24 3.07 0.75 1.32 0.00 -1.26 -5.05 121.76 118.35 3gcu s ALA 320 Ca 0.39 0.47 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 3gcu s ALA 320 Cb -0.07 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.93 3gcu s ALA 320 CO 0.26 0.07 1.24 -0.51 0.00 0.00 0.00 175.76 176.83 3gcu s ASP 321 N -1.97 3.91 0.13 0.00 -0.00 -1.26 -4.83 116.67 112.65 3gcu s ASP 321 Ca 0.59 2.46 -0.35 0.00 -0.00 0.00 0.00 52.55 55.26 3gcu s ASP 321 Cb -0.13 -2.60 -0.16 0.00 -0.00 0.00 0.00 42.92 40.03 3gcu s ASP 321 CO 0.17 -2.46 1.27 -2.65 -0.00 0.00 0.00 175.17 171.50 3gcu n PRO 322 N -2.84 1.22 -4.05 8.23 -0.01 -1.26 -4.87 135.00 131.43 3gcu n PRO 322 Ca 0.14 0.44 -0.34 0.00 -0.01 0.00 0.00 63.50 63.74 3gcu n PRO 322 Cb 0.50 -2.02 -0.15 0.00 -0.01 0.00 0.00 33.50 31.82 3gcu n PRO 322 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 175.50 175.02 3gcu s TYR 323 N 0.17 2.93 -0.69 6.00 5.04 -1.26 -5.06 117.35 124.47 3gcu s TYR 323 Ca 0.78 -1.60 -0.25 0.00 -2.44 0.00 0.00 57.07 53.56 3gcu s TYR 323 Cb -0.89 -1.98 0.05 0.00 0.35 0.00 0.00 41.96 39.49 3gcu s TYR 323 CO 0.49 -0.76 1.14 0.34 -1.34 0.00 0.00 175.55 175.42 3gcu s ASP 324 N 1.30 6.19 -0.10 4.32 -1.08 -1.26 -4.86 116.67 121.19 3gcu s ASP 324 Ca 0.02 -0.61 0.19 0.00 -0.52 0.00 0.00 52.55 51.63 3gcu s ASP 324 Cb -0.15 -2.50 0.70 0.00 -1.46 0.00 0.00 42.92 39.51 3gcu s ASP 324 CO -0.09 -1.64 1.61 0.00 0.52 0.00 0.00 175.17 175.57 3gcu n GLN 325 N 8.62 3.60 0.32 4.34 6.02 -1.26 -4.63 117.38 134.38 3gcu n GLN 325 Ca 0.01 -2.85 0.18 0.00 -0.01 0.00 0.00 57.00 54.33 3gcu n GLN 325 Cb 0.48 -1.84 1.05 0.00 1.02 0.00 0.00 30.24 30.94 3gcu n GLN 325 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3gcu h SER 326 N 4.04 0.00 -0.10 1.08 4.64 -2.03 -2.18 113.55 119.00 3gcu h SER 326 Ca 0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3gcu h SER 326 Cb 1.39 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 3gcu h SER 326 CO 0.20 0.00 0.08 2.19 -0.87 0.00 0.00 176.83 178.43 3gcu h PHE 327 N 0.00 0.00 -0.47 4.77 -0.00 -1.97 -2.83 116.94 116.44 3gcu h PHE 327 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.97 58.03 3gcu h PHE 327 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 35.93 3gcu h PHE 327 CO 0.00 0.00 0.31 0.93 -0.00 0.00 0.00 178.31 179.55 3gcu h GLU 328 N 0.00 0.37 -0.39 6.09 4.39 -1.78 -0.37 114.58 122.89 3gcu h GLU 328 Ca 0.05 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3gcu h GLU 328 Cb 0.20 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3gcu h GLU 328 CO -0.00 0.25 0.00 -1.13 -1.16 0.00 0.00 179.01 176.97 3gcu n SER 329 N -4.47 2.77 -4.90 1.42 3.41 -1.07 -4.91 113.62 105.87 3gcu n SER 329 Ca 0.06 -1.92 -0.33 0.00 -0.26 0.00 0.00 58.87 56.42 3gcu n SER 329 Cb 0.25 -0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3gcu n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3gcu s ARG 330 N -1.48 3.50 -0.30 4.33 0.52 -0.15 -5.08 118.95 120.29 3gcu s ARG 330 Ca 0.36 -0.24 -0.01 0.00 -0.52 0.00 0.00 55.73 55.33 3gcu s ARG 330 Cb 0.20 -3.06 0.06 0.00 0.52 0.00 0.00 34.95 32.66 3gcu s ARG 330 CO 0.27 0.64 -0.01 -0.51 0.02 0.00 0.00 175.30 175.72 3gcu s ASP 331 N -1.97 4.82 0.33 0.23 1.01 -1.26 -5.05 116.67 114.77 3gcu s ASP 331 Ca 0.29 -1.40 0.04 0.00 0.71 0.00 0.00 52.55 52.20 3gcu s ASP 331 Cb -0.13 -1.68 -0.06 0.00 1.01 0.00 0.00 42.92 42.06 3gcu s ASP 331 CO 0.19 -0.27 0.06 -0.76 0.21 0.00 0.00 175.17 174.60 3gcu s LEU 332 N 1.19 2.18 0.54 1.23 1.43 -1.26 -5.14 118.68 118.85 3gcu s LEU 332 Ca -0.04 -1.38 -0.13 0.00 -1.03 0.00 0.00 54.13 51.54 3gcu s LEU 332 Cb -0.20 -0.38 -0.06 0.00 0.03 0.00 0.00 46.19 45.58 3gcu s LEU 332 CO -0.02 -0.61 0.97 -0.76 0.23 0.00 0.00 176.35 176.15 3gcu s LEU 333 N -3.49 3.50 0.20 1.79 1.02 -1.26 -4.90 118.68 115.54 3gcu s LEU 333 Ca 0.36 1.43 -0.10 0.00 0.02 0.00 0.00 54.13 55.85 3gcu s LEU 333 Cb 0.09 -4.41 0.23 0.00 0.02 0.00 0.00 46.19 42.12 3gcu s LEU 333 CO 0.16 -0.67 1.79 0.40 0.02 0.00 0.00 176.35 178.04 3gcu h ILE 334 N 0.44 0.91 0.00 -0.59 2.04 -1.93 -1.27 117.51 117.11 3gcu h ILE 334 Ca -0.46 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 3gcu h ILE 334 Cb 1.19 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3gcu h ILE 334 CO 0.62 0.10 -0.18 0.44 0.00 0.00 0.00 178.15 179.14 3gcu h ASP 335 N 0.57 0.00 -0.06 1.72 3.45 -1.94 0.12 116.42 120.28 3gcu h ASP 335 Ca 0.29 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.71 3gcu h ASP 335 Cb 0.23 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3gcu h ASP 335 CO -0.21 0.18 -0.11 -0.33 -1.57 0.00 0.00 179.24 177.20 3gcu h GLU 336 N 0.00 0.18 -0.95 3.56 5.08 -1.77 -0.96 114.58 119.72 3gcu h GLU 336 Ca -0.00 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3gcu h GLU 336 Cb 0.71 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 3gcu h GLU 336 CO 0.02 0.68 0.62 -1.49 -1.00 0.00 0.00 179.01 177.85 3gcu h TRP 337 N -0.31 1.16 -0.43 4.33 -0.00 -1.10 -1.36 115.95 118.25 3gcu h TRP 337 Ca 0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.89 3gcu h TRP 337 Cb 0.67 -0.39 -0.02 0.00 -0.00 0.00 0.00 29.16 29.43 3gcu h TRP 337 CO 0.11 0.67 0.13 -0.22 -0.00 0.00 0.00 178.44 179.13 3gcu h LYS 338 N 1.20 0.66 -0.52 0.49 3.64 -0.98 -0.85 116.57 120.22 3gcu h LYS 338 Ca 0.38 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 3gcu h LYS 338 Cb -0.01 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3gcu h LYS 338 CO -0.12 0.65 0.20 1.03 -2.27 0.00 0.00 179.45 178.94 3gcu h SER 339 N 0.55 0.72 -0.72 4.20 0.87 -0.81 -0.17 113.55 118.19 3gcu h SER 339 Ca 0.14 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 3gcu h SER 339 Cb 0.27 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.01 3gcu h SER 339 CO -0.00 0.70 0.32 -0.07 -0.53 0.00 0.00 176.83 177.25 3gcu h LEU 340 N 0.70 0.95 -0.31 2.23 3.38 -1.18 -0.53 115.31 120.55 3gcu h LEU 340 Ca 0.17 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gcu h LEU 340 Cb 0.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3gcu h LEU 340 CO -0.01 0.84 0.19 0.74 0.09 0.00 0.00 178.44 180.28 3gcu h THR 341 N 1.01 1.11 -0.40 0.22 2.02 -0.94 -2.38 112.91 113.55 3gcu h THR 341 Ca 0.24 -0.27 0.04 0.00 0.77 0.00 0.00 66.41 67.20 3gcu h THR 341 Cb 0.15 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.25 3gcu h THR 341 CO -0.03 0.11 0.17 0.22 0.37 0.00 0.00 175.52 176.37 3gcu h TYR 342 N 0.40 0.32 -0.72 3.16 3.20 -0.60 -0.06 116.97 122.67 3gcu h TYR 342 Ca 0.11 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.16 3gcu h TYR 342 Cb 0.02 -0.08 -0.11 0.00 1.54 0.00 0.00 36.73 38.09 3gcu h TYR 342 CO -0.04 0.15 0.13 -0.44 -1.64 0.00 0.00 178.16 176.32 3gcu h ASP 343 N 0.36 -0.07 0.29 -2.11 3.32 -0.99 -0.16 116.42 117.07 3gcu h ASP 343 Ca 0.18 0.15 -0.10 0.00 0.02 0.00 0.00 57.03 57.28 3gcu h ASP 343 Cb 0.13 0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3gcu h ASP 343 CO -0.15 -0.06 -0.42 -0.33 -1.72 0.00 0.00 179.24 176.55 3gcu h GLU 344 N 0.23 0.17 0.02 3.56 4.39 -0.69 -0.52 114.58 121.74 3gcu h GLU 344 Ca 0.40 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 60.02 3gcu h GLU 344 Cb 0.68 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 3gcu h GLU 344 CO -0.53 0.57 -0.01 0.28 -1.16 0.00 0.00 179.01 178.16 3gcu h VAL 345 N 0.14 1.17 -0.60 3.13 2.07 -0.32 -2.92 116.25 118.92 3gcu h VAL 345 Ca 0.01 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 3gcu h VAL 345 Cb 0.81 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 3gcu h VAL 345 CO 0.06 0.15 0.13 0.40 0.02 0.00 0.00 177.57 178.33 3gcu h ILE 346 N -0.28 1.24 -0.00 4.57 1.08 -0.86 -2.65 117.51 120.61 3gcu h ILE 346 Ca -0.00 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 3gcu h ILE 346 Cb 0.27 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 3gcu h ILE 346 CO 0.00 0.33 -0.04 -1.54 -0.69 0.00 0.00 178.15 176.22 3gcu n SER 347 N -4.25 0.20 -4.73 1.72 3.41 -0.22 -4.91 113.62 104.84 3gcu n SER 347 Ca 0.04 -0.47 -0.42 0.00 -0.26 0.00 0.00 58.87 57.76 3gcu n SER 347 Cb 0.25 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 3gcu n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3gcu s PHE 348 N -2.42 2.84 -0.19 7.33 5.36 -1.00 -5.00 117.98 124.89 3gcu s PHE 348 Ca 0.32 0.51 -0.01 0.00 -0.96 0.00 0.00 56.93 56.79 3gcu s PHE 348 Cb 0.21 -4.12 0.01 0.00 -0.34 0.00 0.00 43.02 38.77 3gcu s PHE 348 CO 0.45 -4.07 -0.14 0.08 -1.46 0.00 0.00 175.22 170.08 3gcu s VAL 349 N 0.71 2.57 0.70 3.12 1.01 -1.26 -5.09 120.40 122.16 3gcu s VAL 349 Ca 0.70 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.75 3gcu s VAL 349 Cb -0.49 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 33.79 3gcu s VAL 349 CO 0.38 0.50 1.22 -2.16 0.00 0.00 0.00 175.10 175.04 3gcu s PRO 350 N 1.29 2.33 0.35 2.72 0.04 -1.26 -4.96 135.00 135.50 3gcu s PRO 350 Ca 0.04 1.80 -0.27 0.00 0.04 0.00 0.00 61.00 62.61 3gcu s PRO 350 Cb -0.14 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.46 3gcu s PRO 350 CO -0.08 -1.70 1.19 -1.25 0.04 0.00 0.00 177.00 175.20 3gcu s PRO 351 N -3.76 4.31 0.00 0.56 0.04 -1.26 -5.15 135.00 129.73 3gcu s PRO 351 Ca 0.76 1.93 0.06 0.00 0.04 0.00 0.00 61.00 63.79 3gcu s PRO 351 Cb -0.30 -2.93 0.37 0.00 0.04 0.00 0.00 34.50 31.68 3gcu s PRO 351 CO 0.43 -0.13 0.84 -0.35 0.04 0.00 0.00 177.00 177.83