#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gi3 s PRO 6 N 0.00 -0.18 -0.30 -0.14 0.02 -1.26 -5.03 135.00 128.11 3gi3 s PRO 6 Ca 0.00 0.02 -0.07 0.00 0.02 0.00 0.00 61.00 60.97 3gi3 s PRO 6 Cb 0.00 -1.71 0.01 0.00 0.02 0.00 0.00 34.50 32.82 3gi3 s PRO 6 CO 0.00 -3.04 0.10 -0.08 -0.33 0.00 0.00 177.00 173.65 3gi3 s THR 7 N -3.22 4.11 0.53 0.99 -1.32 -1.26 -5.03 115.64 110.44 3gi3 s THR 7 Ca 0.69 -0.65 -0.04 0.00 -1.21 0.00 0.00 61.69 60.48 3gi3 s THR 7 Cb -0.11 -3.12 -0.01 0.00 -1.51 0.00 0.00 72.50 67.75 3gi3 s THR 7 CO 0.55 0.07 0.82 -0.36 -2.21 0.00 0.00 174.62 173.49 3gi3 s PHE 8 N 1.52 3.33 -0.03 9.09 0.40 -1.26 -1.20 117.98 129.82 3gi3 s PHE 8 Ca 0.03 0.60 -0.05 0.00 -0.60 0.00 0.00 56.93 56.91 3gi3 s PHE 8 Cb -0.17 -2.54 0.01 0.00 0.51 0.00 0.00 43.02 40.83 3gi3 s PHE 8 CO 0.03 -0.59 0.13 1.52 0.70 0.00 0.00 175.22 177.01 3gi3 s TYR 9 N -2.83 -0.08 0.53 0.36 -0.85 -0.55 -4.85 117.35 109.08 3gi3 s TYR 9 Ca 0.51 0.18 0.01 0.00 -0.52 0.00 0.00 57.07 57.25 3gi3 s TYR 9 Cb -0.10 0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.27 3gi3 s TYR 9 CO 0.43 -0.13 0.75 1.03 -1.52 0.00 0.00 175.55 176.11 3gi3 s ARG 10 N -0.39 2.69 0.00 -3.49 0.52 -1.26 -2.65 118.95 114.36 3gi3 s ARG 10 Ca -0.05 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 3gi3 s ARG 10 Cb -0.03 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 32.94 3gi3 s ARG 10 CO 0.00 -0.60 0.00 0.94 0.02 0.00 0.00 175.30 175.67 3gi3 n GLN 11 N -2.28 0.00 -4.38 3.54 7.27 -0.64 -4.97 117.38 115.92 3gi3 n GLN 11 Ca 0.06 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.80 3gi3 n GLN 11 Cb 0.59 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 33.09 3gi3 n GLN 11 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 3gi3 s GLU 12 N -2.00 3.17 -0.26 3.69 2.12 -1.26 0.62 118.70 124.78 3gi3 s GLU 12 Ca 0.00 -0.76 0.03 0.00 0.36 0.00 0.00 54.97 54.60 3gi3 s GLU 12 Cb 0.00 -2.65 0.06 0.00 0.26 0.00 0.00 34.13 31.81 3gi3 s GLU 12 CO 0.00 -0.06 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.05 3gi3 s LEU 13 N 0.99 3.52 -1.02 2.70 2.01 0.33 -4.77 118.68 122.44 3gi3 s LEU 13 Ca -0.02 -1.44 -0.10 0.00 0.01 0.00 0.00 54.13 52.58 3gi3 s LEU 13 Cb -0.15 -1.55 -0.04 0.00 0.01 0.00 0.00 46.19 44.46 3gi3 s LEU 13 CO -0.03 -0.20 0.84 -0.46 1.01 0.00 0.00 176.35 177.50 3gi3 n ASN 14 N 4.42 -6.37 -1.99 2.29 2.04 -1.26 -1.72 115.26 112.67 3gi3 n ASN 14 Ca -0.13 -0.72 -0.15 0.00 -0.44 0.00 0.00 54.58 53.15 3gi3 n ASN 14 Cb 0.42 -4.53 -0.03 0.00 -2.53 0.00 0.00 39.78 33.11 3gi3 n ASN 14 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 3gi3 n LYS 15 N -3.27 -1.74 -4.44 -3.83 5.02 -1.26 -4.94 118.16 103.69 3gi3 n LYS 15 Ca -0.08 0.79 -0.28 0.00 -2.02 0.00 0.00 58.31 56.72 3gi3 n LYS 15 Cb 0.59 -5.26 -0.17 0.00 -0.02 0.00 0.00 35.03 30.18 3gi3 n LYS 15 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3gi3 s THR 16 N -2.53 1.49 -0.01 -0.18 2.01 -0.70 -5.12 115.64 110.60 3gi3 s THR 16 Ca 0.00 -0.64 -0.28 0.00 0.31 0.00 0.00 61.69 61.09 3gi3 s THR 16 Cb 0.00 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 3gi3 s THR 16 CO 0.00 0.44 0.89 -0.51 -0.69 0.00 0.00 174.62 174.75 3gi3 s ILE 17 N 1.00 4.88 -0.10 1.82 1.10 -1.26 0.12 121.20 128.76 3gi3 s ILE 17 Ca -0.06 1.86 0.01 0.00 -0.51 0.00 0.00 60.65 61.95 3gi3 s ILE 17 Cb -0.15 -4.23 0.02 0.00 0.15 0.00 0.00 42.46 38.25 3gi3 s ILE 17 CO -0.02 0.21 -0.11 0.26 -2.11 0.00 0.00 174.94 173.18 3gi3 s TRP 18 N 0.80 1.62 -0.29 3.50 0.52 0.20 -4.95 118.94 120.35 3gi3 s TRP 18 Ca 0.47 -0.76 0.02 0.00 0.02 0.00 0.00 56.10 55.85 3gi3 s TRP 18 Cb -0.20 -1.25 0.08 0.00 -1.15 0.00 0.00 33.47 30.95 3gi3 s TRP 18 CO 0.25 -0.46 -0.01 -2.00 0.02 0.00 0.00 176.95 174.76 3gi3 s GLU 19 N 1.28 1.61 0.17 4.98 2.12 -1.26 -1.63 118.70 125.97 3gi3 s GLU 19 Ca -0.02 -1.46 0.04 0.00 0.36 0.00 0.00 54.97 53.89 3gi3 s GLU 19 Cb -0.14 -2.85 -0.05 0.00 0.26 0.00 0.00 34.13 31.35 3gi3 s GLU 19 CO -0.04 -0.78 -0.08 0.14 -0.54 0.00 0.00 175.26 173.96 3gi3 s VAL 20 N 1.14 1.14 0.54 3.70 -7.23 -1.09 -4.63 120.40 113.98 3gi3 s VAL 20 Ca 0.02 -2.06 -0.22 0.00 -1.81 0.00 0.00 61.98 57.92 3gi3 s VAL 20 Cb -0.19 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.73 3gi3 s VAL 20 CO -0.09 -0.64 1.37 -2.84 -0.31 0.00 0.00 175.10 172.59 3gi3 s PRO 21 N -3.78 3.16 0.60 4.82 0.02 -1.26 -1.48 135.00 137.09 3gi3 s PRO 21 Ca 0.20 2.26 0.30 0.00 0.02 0.00 0.00 61.00 63.77 3gi3 s PRO 21 Cb 0.03 -2.28 1.63 0.00 0.02 0.00 0.00 34.50 33.90 3gi3 s PRO 21 CO 0.03 -1.18 2.02 0.93 -0.33 0.00 0.00 177.00 178.47 3gi3 h GLU 22 N 1.50 0.00 -0.77 5.54 5.08 -1.48 -1.72 114.58 122.73 3gi3 h GLU 22 Ca -0.51 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.03 3gi3 h GLU 22 Cb 1.30 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.43 3gi3 h GLU 22 CO 0.57 0.00 0.14 -0.09 -1.00 0.00 0.00 179.01 178.64 3gi3 h ARG 23 N 0.00 0.20 -5.64 2.33 2.43 -1.89 -3.36 114.38 108.45 3gi3 h ARG 23 Ca 0.11 -0.01 -0.60 0.00 -0.81 0.00 0.00 59.98 58.67 3gi3 h ARG 23 Cb 0.71 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.11 3gi3 h ARG 23 CO -0.00 0.14 0.27 0.71 -1.51 0.00 0.00 179.97 179.58 3gi3 s TYR 24 N -6.04 3.31 0.40 2.20 1.51 -0.65 -1.49 117.35 116.59 3gi3 s TYR 24 Ca -0.13 0.96 0.08 0.00 -1.01 0.00 0.00 57.07 56.97 3gi3 s TYR 24 Cb 0.22 -2.91 -0.08 0.00 -0.11 0.00 0.00 41.96 39.08 3gi3 s TYR 24 CO 0.76 -0.33 -0.01 -0.65 -1.11 0.00 0.00 175.55 174.21 3gi3 s GLN 25 N 2.53 1.93 -1.21 -0.62 -1.52 -0.01 -4.85 119.66 115.91 3gi3 s GLN 25 Ca 0.30 -2.07 -0.16 0.00 -1.95 0.00 0.00 55.36 51.48 3gi3 s GLN 25 Cb -0.15 -1.65 -0.00 0.00 -0.22 0.00 0.00 33.01 30.98 3gi3 s GLN 25 CO 0.08 -0.01 0.70 0.09 -0.25 0.00 0.00 175.29 175.91 3gi3 n ASN 26 N -0.93 -3.95 -4.75 5.90 3.02 -1.26 -0.40 115.26 112.90 3gi3 n ASN 26 Ca -0.05 -1.02 -0.41 0.00 -0.03 0.00 0.00 54.58 53.06 3gi3 n ASN 26 Cb 0.66 -3.24 -0.02 0.00 -0.61 0.00 0.00 39.78 36.57 3gi3 n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gi3 s LEU 27 N -6.65 4.39 -0.04 3.41 1.02 -1.26 -4.36 118.68 115.20 3gi3 s LEU 27 Ca 0.35 2.63 -0.01 0.00 0.02 0.00 0.00 54.13 57.13 3gi3 s LEU 27 Cb -0.13 -3.62 0.03 0.00 0.02 0.00 0.00 46.19 42.48 3gi3 s LEU 27 CO 0.87 -0.66 0.02 -0.55 0.02 0.00 0.00 176.35 176.05 3gi3 s SER 28 N 0.26 0.83 0.41 2.29 0.15 0.11 -4.95 113.70 112.81 3gi3 s SER 28 Ca 0.58 -0.01 -0.27 0.00 0.70 0.00 0.00 55.95 56.95 3gi3 s SER 28 Cb -0.41 -0.25 -0.10 0.00 -1.71 0.00 0.00 66.02 63.56 3gi3 s SER 28 CO 0.44 -0.16 1.45 -2.84 1.20 0.00 0.00 173.24 173.33 3gi3 s PRO 29 N 1.49 3.93 0.00 5.44 0.02 -1.26 0.71 135.00 145.32 3gi3 s PRO 29 Ca -0.03 2.49 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3gi3 s PRO 29 Cb -0.13 -2.83 0.00 0.00 0.02 0.00 0.00 34.50 31.56 3gi3 s PRO 29 CO -0.03 -0.65 0.00 1.33 -0.33 0.00 0.00 177.00 177.32 3gi3 n VAL 30 N 0.17 0.00 -2.89 3.83 0.24 -1.26 -4.78 118.33 113.64 3gi3 n VAL 30 Ca 0.03 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.93 3gi3 n VAL 30 Cb 0.40 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.72 3gi3 n VAL 30 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3gi3 s SER 37 N -0.57 7.44 0.10 -1.34 1.04 -1.23 -4.91 113.70 114.24 3gi3 s SER 37 Ca 0.00 1.71 0.09 0.00 0.48 0.00 0.00 55.95 58.23 3gi3 s SER 37 Cb 0.00 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 3gi3 s SER 37 CO 0.00 0.13 -0.24 -0.69 0.98 0.00 0.00 173.24 173.43 3gi3 s VAL 38 N -0.84 1.94 -0.01 5.02 1.01 -1.26 -1.55 120.40 124.71 3gi3 s VAL 38 Ca 0.39 -1.56 0.02 0.00 0.00 0.00 0.00 61.98 60.83 3gi3 s VAL 38 Cb -0.23 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 3gi3 s VAL 38 CO 0.28 0.06 -0.07 0.00 0.00 0.00 0.00 175.10 175.37 3gi3 s ALA 40 N 0.01 3.57 0.27 0.00 0.00 0.22 0.10 121.76 125.93 3gi3 s ALA 40 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 51.96 51.73 3gi3 s ALA 40 Cb -0.05 -2.53 -0.00 0.00 0.00 0.00 0.00 23.12 20.54 3gi3 s ALA 40 CO -0.00 0.45 0.48 0.00 0.00 0.00 0.00 175.76 176.69 3gi3 s ALA 41 N -1.53 0.03 -0.29 0.00 0.00 0.14 0.09 121.76 120.20 3gi3 s ALA 41 Ca 0.40 -1.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.25 3gi3 s ALA 41 Cb -0.14 1.08 0.03 0.00 0.00 0.00 0.00 23.12 24.08 3gi3 s ALA 41 CO 0.19 -0.84 0.03 0.12 0.00 0.00 0.00 175.76 175.27 3gi3 s PHE 42 N -3.71 3.16 -0.60 0.00 5.36 0.47 -1.01 117.98 121.65 3gi3 s PHE 42 Ca 0.25 -1.35 -0.26 0.00 -0.96 0.00 0.00 56.93 54.61 3gi3 s PHE 42 Cb -0.00 -2.18 0.04 0.00 -0.34 0.00 0.00 43.02 40.53 3gi3 s PHE 42 CO 0.12 -0.68 1.09 0.34 -1.46 0.00 0.00 175.22 174.62 3gi3 s ASP 43 N 1.40 6.33 0.64 6.13 3.68 -0.51 -0.83 116.67 133.50 3gi3 s ASP 43 Ca -0.00 -0.27 0.39 0.00 2.13 0.00 0.00 52.55 54.81 3gi3 s ASP 43 Cb -0.18 -2.50 2.20 0.00 -1.45 0.00 0.00 42.92 41.00 3gi3 s ASP 43 CO 0.00 -1.44 2.32 0.74 0.13 0.00 0.00 175.17 176.93 3gi3 h THR 44 N 6.07 0.18 0.00 1.71 2.02 -1.56 0.25 112.91 121.57 3gi3 h THR 44 Ca -0.26 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 3gi3 h THR 44 Cb 1.06 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3gi3 h THR 44 CO 1.16 0.00 -0.32 0.50 0.37 0.00 0.00 175.52 177.24 3gi3 h LYS 45 N 0.00 0.00 0.00 6.66 3.64 -1.91 -3.36 116.57 121.61 3gi3 h LYS 45 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3gi3 h LYS 45 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3gi3 h LYS 45 CO 0.00 0.32 -0.75 0.25 -2.27 0.00 0.00 179.45 177.00 3gi3 n THR 46 N -3.51 0.00 -0.65 1.00 -2.24 -0.87 -5.01 114.28 103.00 3gi3 n THR 46 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3gi3 n THR 46 Cb 0.47 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3gi3 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gi3 n GLY 47 N 1.87 0.78 3.91 3.38 0.00 0.81 -5.04 105.19 110.90 3gi3 n GLY 47 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3gi3 n GLY 47 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gi3 s HIS 48 N -2.92 3.50 0.09 1.61 3.76 -1.23 -4.88 115.29 115.23 3gi3 s HIS 48 Ca 0.00 0.38 -0.25 0.00 -0.15 0.00 0.00 55.06 55.04 3gi3 s HIS 48 Cb 0.00 -1.87 -0.06 0.00 1.11 0.00 0.00 32.58 31.76 3gi3 s HIS 48 CO 0.00 0.52 0.76 1.03 -0.85 0.00 0.00 174.74 176.21 3gi3 s ARG 49 N -2.57 4.51 0.27 1.40 0.52 -1.26 -1.43 118.95 120.39 3gi3 s ARG 49 Ca 0.37 1.09 0.06 0.00 -0.52 0.00 0.00 55.73 56.74 3gi3 s ARG 49 Cb -0.13 -3.32 -0.06 0.00 0.52 0.00 0.00 34.95 31.97 3gi3 s ARG 49 CO 0.26 0.41 -0.05 0.14 0.02 0.00 0.00 175.30 176.08 3gi3 s VAL 50 N -0.52 1.54 -0.16 3.52 -7.23 -0.18 -1.40 120.40 115.97 3gi3 s VAL 50 Ca 0.37 -2.11 -0.03 0.00 -1.81 0.00 0.00 61.98 58.40 3gi3 s VAL 50 Cb -0.21 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 3gi3 s VAL 50 CO 0.24 -0.31 -0.06 0.00 -0.31 0.00 0.00 175.10 174.66 3gi3 s ALA 51 N -3.08 2.89 -0.22 1.32 0.00 0.14 -0.68 121.76 122.12 3gi3 s ALA 51 Ca 0.29 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 3gi3 s ALA 51 Cb 0.04 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.67 3gi3 s ALA 51 CO 0.11 0.14 -0.07 0.08 0.00 0.00 0.00 175.76 176.02 3gi3 s VAL 52 N 0.51 3.10 -0.23 0.00 1.01 0.28 -1.68 120.40 123.39 3gi3 s VAL 52 Ca -0.05 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 3gi3 s VAL 52 Cb -0.15 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3gi3 s VAL 52 CO 0.03 0.40 0.01 -0.75 0.00 0.00 0.00 175.10 174.79 3gi3 s LYS 53 N 1.42 3.53 -0.25 2.72 2.20 0.10 0.46 119.74 129.93 3gi3 s LYS 53 Ca 0.05 -0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 55.01 3gi3 s LYS 53 Cb -0.14 -3.16 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 3gi3 s LYS 53 CO -0.05 -0.17 0.16 0.21 -0.36 0.00 0.00 175.35 175.15 3gi3 s LYS 54 N 1.48 4.03 0.28 4.03 2.20 -0.60 -1.11 119.74 130.05 3gi3 s LYS 54 Ca 0.05 -0.29 -0.29 0.00 -0.36 0.00 0.00 55.97 55.08 3gi3 s LYS 54 Cb -0.15 -3.56 -0.10 0.00 -1.51 0.00 0.00 37.83 32.52 3gi3 s LYS 54 CO 0.00 0.00 1.22 -0.51 -0.36 0.00 0.00 175.35 175.70 3gi3 s LEU 55 N 1.23 4.48 0.00 5.43 1.43 -0.84 -3.47 118.68 126.94 3gi3 s LEU 55 Ca 0.07 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 3gi3 s LEU 55 Cb -0.14 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.45 3gi3 s LEU 55 CO 0.06 -0.37 0.00 -0.24 0.23 0.00 0.00 176.35 176.03 3gi3 n SER 56 N 1.40 0.00 -3.78 2.29 2.88 -1.26 -4.51 113.62 110.64 3gi3 n SER 56 Ca 0.01 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.25 3gi3 n SER 56 Cb 0.43 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.81 3gi3 n SER 56 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3gi3 n ARG 57 N 0.00 2.45 -0.39 -1.46 1.74 -1.26 -4.96 116.66 112.78 3gi3 n ARG 57 Ca 0.00 -4.56 0.33 0.00 -0.77 0.00 0.00 57.85 52.85 3gi3 n ARG 57 Cb 0.00 -2.32 0.60 0.00 -1.02 0.00 0.00 32.46 29.72 3gi3 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3gi3 h PRO 58 N 5.08 0.11 0.00 5.56 0.13 -1.85 -2.23 132.00 138.80 3gi3 h PRO 58 Ca 0.17 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 3gi3 h PRO 58 Cb 0.72 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 3gi3 h PRO 58 CO 0.84 0.08 -0.29 1.19 -0.23 0.00 0.00 178.00 179.58 3gi3 n PHE 59 N -4.89 0.00 -0.12 1.56 3.72 -1.26 -0.72 117.46 115.75 3gi3 n PHE 59 Ca 0.36 -1.18 -0.01 0.00 -0.05 0.00 0.00 57.45 56.57 3gi3 n PHE 59 Cb 1.31 -0.19 0.23 0.00 -0.94 0.00 0.00 39.48 39.89 3gi3 n PHE 59 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 3gi3 h GLN 60 N 0.50 0.80 -4.53 -1.08 4.15 -1.77 -3.45 115.11 109.73 3gi3 h GLN 60 Ca -0.01 -0.13 -0.22 0.00 0.77 0.00 0.00 58.65 59.06 3gi3 h GLN 60 Cb 1.05 -0.14 -0.15 0.00 0.21 0.00 0.00 27.48 28.45 3gi3 h GLN 60 CO 0.00 0.68 -0.62 -1.54 -1.93 0.00 0.00 178.83 175.42 3gi3 s SER 61 N -6.56 0.19 0.35 -0.69 1.04 -1.26 -5.02 113.70 101.74 3gi3 s SER 61 Ca -0.10 -1.33 0.04 0.00 0.48 0.00 0.00 55.95 55.04 3gi3 s SER 61 Cb 0.16 0.36 0.64 0.00 0.10 0.00 0.00 66.02 67.28 3gi3 s SER 61 CO 0.79 -0.81 1.91 0.40 0.98 0.00 0.00 173.24 176.50 3gi3 h ILE 62 N 2.68 1.18 -0.60 -1.02 2.04 -1.94 0.30 117.51 120.14 3gi3 h ILE 62 Ca -0.36 -0.66 -0.10 0.00 1.00 0.00 0.00 64.86 64.75 3gi3 h ILE 62 Cb 1.24 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 3gi3 h ILE 62 CO 0.54 0.24 0.00 0.40 0.00 0.00 0.00 178.15 179.33 3gi3 h ILE 63 N 0.54 1.27 -0.09 -0.67 1.08 -1.96 -1.30 117.51 116.38 3gi3 h ILE 63 Ca 0.12 -1.15 -0.04 0.00 -0.39 0.00 0.00 64.86 63.40 3gi3 h ILE 63 Cb 0.24 0.81 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3gi3 h ILE 63 CO -0.00 0.42 -0.12 0.45 -0.69 0.00 0.00 178.15 178.21 3gi3 h HIS 64 N 0.96 0.29 -0.39 1.37 3.86 -1.67 -2.42 115.15 117.15 3gi3 h HIS 64 Ca 0.17 -0.09 0.07 0.00 -1.16 0.00 0.00 60.37 59.35 3gi3 h HIS 64 Cb 0.56 -0.06 -0.06 0.00 1.06 0.00 0.00 27.41 28.91 3gi3 h HIS 64 CO 0.04 0.70 0.03 0.00 0.86 0.00 0.00 177.93 179.56 3gi3 h ALA 65 N 0.54 0.38 -0.42 2.45 0.00 0.12 0.32 119.26 122.66 3gi3 h ALA 65 Ca 0.01 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3gi3 h ALA 65 Cb 0.67 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3gi3 h ALA 65 CO 0.03 -0.37 -0.13 -0.22 0.00 0.00 0.00 179.25 178.56 3gi3 h LYS 66 N 0.14 0.75 -0.64 0.00 3.64 -1.29 -1.30 116.57 117.86 3gi3 h LYS 66 Ca 0.19 -0.25 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 3gi3 h LYS 66 Cb 0.26 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3gi3 h LYS 66 CO -0.30 0.85 0.09 -0.09 -2.27 0.00 0.00 179.45 177.73 3gi3 h ARG 67 N 0.68 1.08 0.10 1.90 2.43 -0.78 0.40 114.38 120.19 3gi3 h ARG 67 Ca 0.11 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3gi3 h ARG 67 Cb 0.60 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3gi3 h ARG 67 CO 0.04 1.01 -0.05 1.15 -1.51 0.00 0.00 179.97 180.61 3gi3 h THR 68 N 0.99 0.91 -0.26 0.20 2.02 -0.06 -0.94 112.91 115.77 3gi3 h THR 68 Ca 0.19 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.35 3gi3 h THR 68 Cb 0.46 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.79 3gi3 h THR 68 CO 0.02 0.01 0.12 0.22 0.37 0.00 0.00 175.52 176.26 3gi3 h TYR 69 N -0.15 0.23 -0.68 3.16 5.03 -0.94 -1.79 116.97 121.83 3gi3 h TYR 69 Ca -0.01 0.01 0.11 0.00 2.58 0.00 0.00 58.73 61.42 3gi3 h TYR 69 Cb 0.12 -0.06 -0.08 0.00 1.55 0.00 0.00 36.73 38.25 3gi3 h TYR 69 CO -0.07 0.12 0.27 -0.09 -1.32 0.00 0.00 178.16 177.07 3gi3 h ARG 70 N 0.26 0.43 -0.23 1.82 2.43 0.11 -0.62 114.38 118.58 3gi3 h ARG 70 Ca 0.11 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.08 3gi3 h ARG 70 Cb 0.04 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3gi3 h ARG 70 CO -0.08 0.28 -0.55 1.49 -1.51 0.00 0.00 179.97 179.61 3gi3 h GLU 71 N 0.44 0.69 -0.00 0.20 4.81 -0.83 -1.49 114.58 118.39 3gi3 h GLU 71 Ca 0.36 -0.44 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3gi3 h GLU 71 Cb 0.48 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 3gi3 h GLU 71 CO -0.35 1.06 0.00 1.25 -0.73 0.00 0.00 179.01 180.24 3gi3 h LEU 72 N 0.53 0.01 0.20 1.64 6.46 -0.78 0.13 115.31 123.50 3gi3 h LEU 72 Ca 0.01 -0.25 -0.00 0.00 -0.12 0.00 0.00 57.88 57.52 3gi3 h LEU 72 Cb 1.12 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.04 3gi3 h LEU 72 CO 0.11 0.25 -0.17 0.03 -0.62 0.00 0.00 178.44 178.05 3gi3 h ARG 73 N -0.24 -0.37 -0.27 1.25 2.47 -1.15 0.24 114.38 116.31 3gi3 h ARG 73 Ca 0.00 0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.77 3gi3 h ARG 73 Cb 0.25 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.63 3gi3 h ARG 73 CO 0.00 -0.25 0.12 1.25 0.56 0.00 0.00 179.97 181.65 3gi3 h LEU 74 N -0.39 0.16 -1.33 3.04 5.85 -1.23 -1.81 115.31 119.60 3gi3 h LEU 74 Ca -0.01 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3gi3 h LEU 74 Cb 0.35 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3gi3 h LEU 74 CO -0.02 0.13 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.14 3gi3 h LEU 75 N 0.26 0.41 -1.35 2.25 4.07 -0.52 -1.66 115.31 118.77 3gi3 h LEU 75 Ca 0.12 -0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.97 3gi3 h LEU 75 Cb 0.06 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 3gi3 h LEU 75 CO -0.10 0.48 -0.17 0.11 -1.08 0.00 0.00 178.44 177.68 3gi3 h LYS 76 N 0.43 0.00 0.00 1.13 1.57 0.13 -3.10 116.57 116.73 3gi3 h LYS 76 Ca 0.10 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.75 3gi3 h LYS 76 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3gi3 h LYS 76 CO 0.01 0.17 -1.54 1.58 -0.57 0.00 0.00 179.45 179.10 3gi3 n HIS 77 N -3.40 0.70 -2.12 -1.35 -0.00 -0.74 -4.90 115.22 103.41 3gi3 n HIS 77 Ca -0.00 0.22 -0.43 0.00 0.46 0.00 0.00 57.72 57.97 3gi3 n HIS 77 Cb 0.37 -0.95 -0.03 0.00 -0.12 0.00 0.00 29.99 29.27 3gi3 n HIS 77 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 3gi3 s MET 78 N -3.08 3.76 -0.43 1.57 -1.94 -0.69 -4.92 119.30 113.57 3gi3 s MET 78 Ca -0.04 1.62 0.05 0.00 -1.71 0.00 0.00 55.69 55.60 3gi3 s MET 78 Cb 0.09 -4.04 0.18 0.00 2.01 0.00 0.00 34.83 33.08 3gi3 s MET 78 CO 0.83 -1.34 0.38 1.63 -0.01 0.00 0.00 175.02 176.51 3gi3 n LYS 79 N 7.72 0.38 -3.79 2.03 5.02 -1.26 -4.40 118.16 123.87 3gi3 n LYS 79 Ca 0.19 -3.27 -0.13 0.00 -2.02 0.00 0.00 58.31 53.09 3gi3 n LYS 79 Cb 0.45 -1.63 -0.11 0.00 -0.02 0.00 0.00 35.03 33.72 3gi3 n LYS 79 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3gi3 s HIS 80 N -0.26 -0.27 0.36 2.13 2.46 -1.26 -5.05 115.29 113.41 3gi3 s HIS 80 Ca 0.33 0.64 0.11 0.00 0.47 0.00 0.00 55.06 56.61 3gi3 s HIS 80 Cb 0.06 0.09 0.87 0.00 -0.13 0.00 0.00 32.58 33.47 3gi3 s HIS 80 CO -0.18 -0.15 1.85 0.93 -2.47 0.00 0.00 174.74 174.72 3gi3 h GLU 81 N 5.62 0.61 -0.84 2.88 5.08 -1.98 -2.04 114.58 123.91 3gi3 h GLU 81 Ca -0.26 -0.04 -0.32 0.00 -1.00 0.00 0.00 59.36 57.74 3gi3 h GLU 81 Cb 1.19 -0.14 -0.19 0.00 0.50 0.00 0.00 28.75 30.11 3gi3 h GLU 81 CO 0.35 0.41 0.41 0.09 -1.00 0.00 0.00 179.01 179.26 3gi3 n ASN 82 N -4.57 4.50 -3.80 1.42 4.13 -1.26 -4.71 115.26 110.97 3gi3 n ASN 82 Ca 0.18 -3.36 -0.13 0.00 1.68 0.00 0.00 54.58 52.95 3gi3 n ASN 82 Cb 0.53 -0.78 -0.14 0.00 -1.54 0.00 0.00 39.78 37.85 3gi3 n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3gi3 s VAL 83 N -3.10 -0.03 0.20 2.41 1.01 -0.77 -1.62 120.40 118.50 3gi3 s VAL 83 Ca 0.56 0.11 -0.32 0.00 0.00 0.00 0.00 61.98 62.33 3gi3 s VAL 83 Cb 0.46 -0.14 -0.14 0.00 0.00 0.00 0.00 36.38 36.55 3gi3 s VAL 83 CO 0.13 0.05 1.31 0.00 0.00 0.00 0.00 175.10 176.58 3gi3 n ILE 84 N 3.70 0.84 -4.44 2.22 3.06 -0.47 -4.45 119.36 119.83 3gi3 n ILE 84 Ca -0.21 -0.21 -0.24 0.00 -2.50 0.00 0.00 62.75 59.59 3gi3 n ILE 84 Cb 0.55 -1.19 -0.11 0.00 0.54 0.00 0.00 39.64 39.43 3gi3 n ILE 84 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 3gi3 s GLY 85 N 0.20 1.76 -0.34 4.50 0.00 -1.26 -4.80 107.32 107.38 3gi3 s GLY 85 Ca 0.71 -1.77 -0.20 0.00 0.00 0.00 0.00 44.72 43.46 3gi3 s GLY 85 CO 0.50 -1.84 0.64 -2.27 0.00 0.00 0.00 173.10 170.13 3gi3 s LEU 86 N -3.21 4.22 -0.02 0.66 2.96 -1.24 -4.50 118.68 117.54 3gi3 s LEU 86 Ca 0.26 0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 54.35 3gi3 s LEU 86 Cb -0.05 -2.80 -0.28 0.00 0.50 0.00 0.00 46.19 43.55 3gi3 s LEU 86 CO 0.12 -0.57 0.78 0.25 -1.32 0.00 0.00 176.35 175.61 3gi3 h LEU 87 N 9.34 0.44 -7.00 -0.68 5.85 -0.13 -3.44 115.31 119.68 3gi3 h LEU 87 Ca -0.26 -0.64 0.02 0.00 0.84 0.00 0.00 57.88 57.84 3gi3 h LEU 87 Cb 1.11 -0.14 -0.16 0.00 0.37 0.00 0.00 40.66 41.84 3gi3 h LEU 87 CO 0.83 1.54 0.33 -0.62 -0.34 0.00 0.00 178.44 180.18 3gi3 s ASP 88 N -7.03 -0.50 -0.14 1.25 3.68 -1.10 -4.75 116.67 108.08 3gi3 s ASP 88 Ca -0.11 0.19 -0.07 0.00 2.13 0.00 0.00 52.55 54.69 3gi3 s ASP 88 Cb 0.06 0.49 0.06 0.00 -1.45 0.00 0.00 42.92 42.08 3gi3 s ASP 88 CO 0.85 -0.72 0.32 0.54 0.13 0.00 0.00 175.17 176.29 3gi3 s VAL 89 N -2.75 -0.13 0.26 1.11 0.11 -1.26 0.33 120.40 118.06 3gi3 s VAL 89 Ca -0.00 0.15 -0.09 0.00 -2.93 0.00 0.00 61.98 59.10 3gi3 s VAL 89 Cb -0.01 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.34 3gi3 s VAL 89 CO -0.06 0.06 0.42 0.72 -3.33 0.00 0.00 175.10 172.92 3gi3 s PHE 90 N 1.58 0.60 -0.15 1.54 -0.12 -0.26 -4.94 117.98 116.23 3gi3 s PHE 90 Ca -0.07 -0.93 -0.15 0.00 -0.05 0.00 0.00 56.93 55.72 3gi3 s PHE 90 Cb -0.10 0.03 0.04 0.00 -0.63 0.00 0.00 43.02 42.36 3gi3 s PHE 90 CO -0.10 -0.97 0.43 -0.08 -0.05 0.00 0.00 175.22 174.45 3gi3 s THR 91 N -3.86 0.00 0.30 -4.49 -1.32 -1.26 -1.09 115.64 103.92 3gi3 s THR 91 Ca 0.26 -0.03 0.29 0.00 -1.21 0.00 0.00 61.69 61.01 3gi3 s THR 91 Cb 0.01 -0.62 0.31 0.00 -1.51 0.00 0.00 72.50 70.69 3gi3 s THR 91 CO 0.11 -0.01 2.02 1.55 -2.21 0.00 0.00 174.62 176.08 3gi3 h PRO 92 N 5.32 0.00 -6.63 7.08 0.13 -1.82 -3.44 132.00 132.64 3gi3 h PRO 92 Ca -0.27 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.33 3gi3 h PRO 92 Cb 1.18 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.37 3gi3 h PRO 92 CO 0.24 0.12 0.99 0.00 -0.23 0.00 0.00 178.00 179.12 3gi3 n ALA 93 N -2.21 2.61 1.37 -0.56 0.00 -1.26 -4.90 120.51 115.56 3gi3 n ALA 93 Ca -0.01 0.40 0.14 0.00 0.00 0.00 0.00 53.44 53.97 3gi3 n ALA 93 Cb 0.29 -2.50 0.54 0.00 0.00 0.00 0.00 19.45 17.77 3gi3 n ALA 93 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3gi3 n ARG 94 N 3.97 0.81 -3.82 0.00 0.63 -1.26 -4.90 116.66 112.09 3gi3 n ARG 94 Ca 0.16 -0.36 -0.08 0.00 -0.92 0.00 0.00 57.85 56.65 3gi3 n ARG 94 Cb 0.34 -1.49 -0.02 0.00 0.45 0.00 0.00 32.46 31.74 3gi3 n ARG 94 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3gi3 s SER 95 N -2.44 -0.28 0.42 6.15 1.04 -1.26 -5.03 113.70 112.29 3gi3 s SER 95 Ca 0.28 -0.56 0.13 0.00 0.48 0.00 0.00 55.95 56.28 3gi3 s SER 95 Cb 0.20 0.70 0.90 0.00 0.10 0.00 0.00 66.02 67.91 3gi3 s SER 95 CO 0.48 -1.28 1.94 0.25 0.98 0.00 0.00 173.24 175.61 3gi3 h LEU 96 N 2.03 0.06 -0.18 2.42 5.85 -1.95 -1.33 115.31 122.21 3gi3 h LEU 96 Ca -0.22 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.53 3gi3 h LEU 96 Cb 1.26 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 3gi3 h LEU 96 CO 0.26 0.27 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.26 3gi3 h GLU 97 N 0.06 0.00 -0.20 1.25 5.08 -2.00 -2.84 114.58 115.93 3gi3 h GLU 97 Ca 0.01 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3gi3 h GLU 97 Cb 0.39 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3gi3 h GLU 97 CO 0.03 0.00 0.00 -0.85 -1.00 0.00 0.00 179.01 177.19 3gi3 n GLU 98 N -5.18 2.21 -1.73 2.33 0.28 -1.11 -4.93 120.64 112.51 3gi3 n GLU 98 Ca -0.03 -1.80 -0.43 0.00 -0.16 0.00 0.00 57.16 54.75 3gi3 n GLU 98 Cb 0.11 -1.47 -0.03 0.00 1.43 0.00 0.00 31.44 31.48 3gi3 n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 3gi3 s PHE 99 N -1.76 1.38 0.00 -1.84 5.36 -0.52 -4.74 117.98 115.87 3gi3 s PHE 99 Ca 0.34 0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.48 3gi3 s PHE 99 Cb 0.21 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.83 3gi3 s PHE 99 CO 0.30 -4.43 0.00 0.09 -1.46 0.00 0.00 175.22 169.72 3gi3 n ASN 100 N 9.53 0.00 -4.05 6.13 3.02 -1.26 -5.02 115.26 123.61 3gi3 n ASN 100 Ca 0.24 -0.31 -0.16 0.00 -0.03 0.00 0.00 54.58 54.32 3gi3 n ASN 100 Cb 0.44 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.48 3gi3 n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3gi3 s ASP 101 N 0.00 1.04 -0.07 6.41 1.01 -1.26 -4.75 116.67 119.05 3gi3 s ASP 101 Ca 0.00 -0.37 0.02 0.00 0.71 0.00 0.00 52.55 52.91 3gi3 s ASP 101 Cb 0.00 -0.05 0.01 0.00 1.01 0.00 0.00 42.92 43.90 3gi3 s ASP 101 CO 0.00 -0.04 -0.13 -0.69 0.21 0.00 0.00 175.17 174.52 3gi3 s VAL 102 N -0.80 1.20 -0.10 -1.27 1.01 -1.26 -4.52 120.40 114.67 3gi3 s VAL 102 Ca -0.02 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3gi3 s VAL 102 Cb -0.07 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.21 3gi3 s VAL 102 CO 0.00 0.37 -0.24 -0.31 0.00 0.00 0.00 175.10 174.93 3gi3 s TYR 103 N 0.76 2.51 0.00 5.22 1.51 -0.25 -1.98 117.35 125.12 3gi3 s TYR 103 Ca -0.13 -1.01 0.06 0.00 -1.01 0.00 0.00 57.07 54.98 3gi3 s TYR 103 Cb -0.16 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 3gi3 s TYR 103 CO 0.03 -0.40 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.38 3gi3 s LEU 104 N 0.32 2.60 -0.02 -1.29 1.43 -0.27 -1.10 118.68 120.36 3gi3 s LEU 104 Ca -0.18 -0.35 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 3gi3 s LEU 104 Cb -0.18 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.52 3gi3 s LEU 104 CO 0.09 0.29 -0.15 -0.69 0.23 0.00 0.00 176.35 176.11 3gi3 s VAL 105 N -0.83 1.24 0.17 -1.59 1.01 0.15 -0.72 120.40 119.83 3gi3 s VAL 105 Ca 0.13 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 3gi3 s VAL 105 Cb -0.10 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 3gi3 s VAL 105 CO 0.03 0.36 0.14 0.42 0.00 0.00 0.00 175.10 176.05 3gi3 s THR 106 N -0.21 0.05 0.45 3.92 -4.23 -0.67 0.67 115.64 115.61 3gi3 s THR 106 Ca 0.03 -1.86 -0.25 0.00 -1.18 0.00 0.00 61.69 58.43 3gi3 s THR 106 Cb -0.08 -2.22 -0.08 0.00 1.34 0.00 0.00 72.50 71.47 3gi3 s THR 106 CO 0.00 -0.22 1.33 -1.00 -0.54 0.00 0.00 174.62 174.19 3gi3 s HIS 107 N -4.08 2.64 0.04 3.99 3.76 -1.26 0.25 115.29 120.63 3gi3 s HIS 107 Ca 0.29 1.38 -0.29 0.00 -0.15 0.00 0.00 55.06 56.29 3gi3 s HIS 107 Cb 0.06 -3.72 -0.04 0.00 1.11 0.00 0.00 32.58 29.99 3gi3 s HIS 107 CO 0.06 -2.38 0.92 -1.17 -0.85 0.00 0.00 174.74 171.33 3gi3 s LEU 108 N -2.75 4.42 0.09 0.89 2.96 -0.50 -4.33 118.68 119.46 3gi3 s LEU 108 Ca 0.61 1.64 0.03 0.00 -0.22 0.00 0.00 54.13 56.19 3gi3 s LEU 108 Cb -0.39 -3.49 -0.04 0.00 0.50 0.00 0.00 46.19 42.77 3gi3 s LEU 108 CO 0.49 -0.15 0.07 -0.04 -1.32 0.00 0.00 176.35 175.40 3gi3 s MET 109 N 0.51 2.83 0.13 1.98 -1.94 -1.26 -4.88 119.30 116.66 3gi3 s MET 109 Ca 0.47 -0.72 -0.25 0.00 -1.71 0.00 0.00 55.69 53.48 3gi3 s MET 109 Cb -0.21 -2.69 -0.02 0.00 2.01 0.00 0.00 34.83 33.91 3gi3 s MET 109 CO 0.27 0.56 1.63 0.78 -0.01 0.00 0.00 175.02 178.25 3gi3 h GLY 110 N 3.28 -0.35 -2.31 -0.03 0.00 -1.94 -3.48 103.07 98.24 3gi3 h GLY 110 Ca -0.47 0.33 0.23 0.00 0.00 0.00 0.00 47.33 47.42 3gi3 h GLY 110 CO 0.65 -0.21 0.63 0.00 0.00 0.00 0.00 176.54 177.61 3gi3 s ALA 111 N -6.05 -1.86 0.98 3.60 0.00 -1.09 -5.03 121.76 112.30 3gi3 s ALA 111 Ca -0.15 0.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 3gi3 s ALA 111 Cb 0.10 0.59 0.19 0.00 0.00 0.00 0.00 23.12 24.00 3gi3 s ALA 111 CO 0.66 -1.06 1.25 -0.51 0.00 0.00 0.00 175.76 176.11 3gi3 s ASP 112 N -3.08 2.98 0.00 0.00 1.01 -1.26 -1.00 116.67 115.33 3gi3 s ASP 112 Ca 0.15 0.46 0.29 0.00 0.71 0.00 0.00 52.55 54.17 3gi3 s ASP 112 Cb 0.00 -0.65 1.33 0.00 1.01 0.00 0.00 42.92 44.61 3gi3 s ASP 112 CO 0.01 -2.83 1.91 -0.11 0.21 0.00 0.00 175.17 174.36 3gi3 n LEU 113 N -3.87 0.45 0.01 1.23 7.94 -0.62 -3.34 117.00 118.81 3gi3 n LEU 113 Ca 0.13 -0.01 -0.21 0.00 -1.11 0.00 0.00 56.01 54.81 3gi3 n LEU 113 Cb 0.60 -0.15 -0.14 0.00 0.53 0.00 0.00 43.42 44.26 3gi3 n LEU 113 CO 0.48 0.08 -0.35 -1.13 -1.11 0.00 0.00 177.39 175.36 3gi3 h ASN 114 N 0.59 0.38 -0.06 1.96 -0.00 -1.86 -3.28 115.58 113.32 3gi3 h ASN 114 Ca 0.00 -0.86 0.00 0.00 -0.00 0.00 0.00 56.30 55.44 3gi3 h ASN 114 Cb 0.32 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.51 3gi3 h ASN 114 CO 0.00 1.58 0.00 0.59 -0.00 0.00 0.00 177.43 179.60 3gi3 n ASN 115 N -3.97 1.19 0.00 1.15 3.02 -1.21 -3.11 115.26 112.33 3gi3 n ASN 115 Ca -0.23 -2.07 0.00 0.00 -0.03 0.00 0.00 54.58 52.25 3gi3 n ASN 115 Cb 0.88 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 3gi3 n ASN 115 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gi3 n ILE 116 N -0.03 0.00 0.50 2.41 0.13 -1.24 -4.68 119.36 116.46 3gi3 n ILE 116 Ca 0.03 -0.34 0.06 0.00 -1.10 0.00 0.00 62.75 61.39 3gi3 n ILE 116 Cb 0.27 1.08 -0.08 0.00 -0.84 0.00 0.00 39.64 40.07 3gi3 n ILE 116 CO 0.00 0.00 0.00 0.52 2.80 0.00 0.00 176.55 179.87 3gi3 n VAL 117 N -0.51 0.00 0.78 9.51 0.31 -1.18 -4.41 118.33 122.83 3gi3 n VAL 117 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 3gi3 n VAL 117 Cb 0.02 0.87 0.04 0.00 -0.91 0.00 0.00 33.84 33.86 3gi3 n VAL 117 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3gi3 n LYS 118 N -1.40 1.37 0.00 5.55 5.02 -1.23 -3.71 118.16 123.76 3gi3 n LYS 118 Ca 0.02 -0.35 0.00 0.00 -2.02 0.00 0.00 58.31 55.96 3gi3 n LYS 118 Cb 0.22 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3gi3 n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gi3 s GLN 120 N -2.00 0.07 0.19 0.00 -0.21 -1.24 -5.13 119.66 111.34 3gi3 s GLN 120 Ca 0.00 -0.00 -0.32 0.00 0.02 0.00 0.00 55.36 55.06 3gi3 s GLN 120 Cb 0.00 0.03 -0.11 0.00 1.00 0.00 0.00 33.01 33.93 3gi3 s GLN 120 CO 0.00 -0.03 1.71 0.21 -2.12 0.00 0.00 175.29 175.07 3gi3 s LYS 121 N -1.51 4.14 0.52 2.91 2.20 -1.26 -4.82 119.74 121.91 3gi3 s LYS 121 Ca 0.10 2.57 -0.18 0.00 -0.36 0.00 0.00 55.97 58.10 3gi3 s LYS 121 Cb -0.01 -3.15 -0.07 0.00 -1.51 0.00 0.00 37.83 33.08 3gi3 s LYS 121 CO -0.05 -0.74 1.01 -0.51 -0.36 0.00 0.00 175.35 174.70 3gi3 s LEU 122 N 1.37 3.69 0.83 5.43 1.43 -1.26 -5.03 118.68 125.15 3gi3 s LEU 122 Ca 0.75 1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 55.48 3gi3 s LEU 122 Cb -0.48 -4.53 0.10 0.00 0.03 0.00 0.00 46.19 41.30 3gi3 s LEU 122 CO 0.32 -0.76 1.14 -0.89 0.23 0.00 0.00 176.35 176.40 3gi3 s THR 123 N -2.36 2.48 0.39 5.49 2.01 -1.26 -4.80 115.64 117.59 3gi3 s THR 123 Ca 0.63 0.17 0.11 0.00 0.31 0.00 0.00 61.69 62.91 3gi3 s THR 123 Cb -0.13 -2.44 0.14 0.00 0.01 0.00 0.00 72.50 70.08 3gi3 s THR 123 CO 0.27 -0.19 1.90 -0.78 -0.69 0.00 0.00 174.62 175.14 3gi3 h ASP 124 N -1.30 0.12 -0.37 3.53 3.58 -1.97 -1.17 116.42 118.84 3gi3 h ASP 124 Ca -0.44 -0.03 -0.12 0.00 0.42 0.00 0.00 57.03 56.86 3gi3 h ASP 124 Cb 1.26 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 3gi3 h ASP 124 CO 0.46 0.34 -0.22 -0.78 -2.88 0.00 0.00 179.24 176.16 3gi3 h ASP 125 N 0.11 0.89 -0.36 2.28 3.58 -2.00 -0.62 116.42 120.30 3gi3 h ASP 125 Ca 0.02 -0.33 -0.08 0.00 0.42 0.00 0.00 57.03 57.07 3gi3 h ASP 125 Cb 0.45 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 3gi3 h ASP 125 CO 0.03 1.07 -0.03 0.45 -2.88 0.00 0.00 179.24 177.89 3gi3 h HIS 126 N 0.75 0.81 -0.36 0.28 3.86 -1.65 -2.42 115.15 116.42 3gi3 h HIS 126 Ca 0.10 -0.12 -0.13 0.00 -1.16 0.00 0.00 60.37 59.06 3gi3 h HIS 126 Cb 0.76 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 3gi3 h HIS 126 CO 0.04 0.77 -0.28 0.28 0.86 0.00 0.00 177.93 179.60 3gi3 h VAL 127 N 0.70 1.28 -0.35 2.45 2.07 -0.96 -2.17 116.25 119.27 3gi3 h VAL 127 Ca 0.13 -1.45 0.06 0.00 0.82 0.00 0.00 66.70 66.27 3gi3 h VAL 127 Cb 0.47 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.60 3gi3 h VAL 127 CO 0.02 0.48 0.01 1.56 0.02 0.00 0.00 177.57 179.66 3gi3 h GLN 128 N 0.62 0.11 -0.27 1.57 4.20 -0.85 -0.56 115.11 119.94 3gi3 h GLN 128 Ca 0.07 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3gi3 h GLN 128 Cb 0.86 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3gi3 h GLN 128 CO 0.07 0.07 0.04 0.35 -0.67 0.00 0.00 178.83 178.70 3gi3 h PHE 129 N 0.12 0.48 -0.09 2.96 3.57 -1.39 -0.17 116.94 122.41 3gi3 h PHE 129 Ca 0.17 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3gi3 h PHE 129 Cb 0.23 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3gi3 h PHE 129 CO -0.23 0.56 0.03 -0.07 -2.23 0.00 0.00 178.31 176.36 3gi3 h LEU 130 N 0.26 0.14 -1.01 0.59 3.38 -1.17 -2.02 115.31 115.49 3gi3 h LEU 130 Ca 0.08 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 3gi3 h LEU 130 Cb 0.33 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3gi3 h LEU 130 CO 0.01 0.31 -0.04 0.40 0.09 0.00 0.00 178.44 179.21 3gi3 h ILE 131 N -0.04 1.23 -0.61 1.22 1.08 -1.13 -2.00 117.51 117.27 3gi3 h ILE 131 Ca 0.03 -0.99 0.02 0.00 -0.39 0.00 0.00 64.86 63.53 3gi3 h ILE 131 Cb 0.23 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 3gi3 h ILE 131 CO -0.00 0.34 0.39 0.22 -0.69 0.00 0.00 178.15 178.40 3gi3 h TYR 132 N 0.62 0.73 -0.27 1.37 3.20 -0.87 -1.41 116.97 120.33 3gi3 h TYR 132 Ca 0.12 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 3gi3 h TYR 132 Cb 0.45 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3gi3 h TYR 132 CO 0.02 0.43 -0.21 1.96 -1.64 0.00 0.00 178.16 178.72 3gi3 h GLN 133 N 0.77 0.51 -0.03 1.82 4.20 -0.88 -0.19 115.11 121.31 3gi3 h GLN 133 Ca 0.23 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 3gi3 h GLN 133 Cb -0.03 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 3gi3 h GLN 133 CO -0.08 0.69 0.01 0.82 -0.67 0.00 0.00 178.83 179.60 3gi3 h ILE 134 N 0.45 1.18 -0.60 2.54 2.04 -0.94 -0.88 117.51 121.30 3gi3 h ILE 134 Ca 0.07 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 3gi3 h ILE 134 Cb 0.62 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 3gi3 h ILE 134 CO 0.04 0.14 0.27 -0.07 0.00 0.00 0.00 178.15 178.53 3gi3 h LEU 135 N -0.17 0.77 -0.53 1.44 4.07 -1.11 0.25 115.31 120.04 3gi3 h LEU 135 Ca 0.01 -0.09 -0.08 0.00 0.08 0.00 0.00 57.88 57.80 3gi3 h LEU 135 Cb 0.22 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 3gi3 h LEU 135 CO -0.00 0.67 0.01 -0.09 -1.08 0.00 0.00 178.44 177.95 3gi3 h ARG 136 N 0.85 0.93 -0.26 1.13 2.43 -0.84 0.47 114.38 119.09 3gi3 h ARG 136 Ca 0.21 -0.29 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 3gi3 h ARG 136 Cb 0.12 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3gi3 h ARG 136 CO -0.02 0.94 -0.18 0.78 -1.51 0.00 0.00 179.97 179.97 3gi3 h GLY 137 N 0.80 0.64 1.18 2.80 0.00 -0.46 -3.02 103.07 105.02 3gi3 h GLY 137 Ca 0.15 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 3gi3 h GLY 137 CO 0.02 0.55 0.45 -2.00 0.00 0.00 0.00 176.54 175.57 3gi3 h LEU 138 N 0.31 0.96 -0.87 3.11 5.85 -0.36 -1.13 115.31 123.19 3gi3 h LEU 138 Ca 0.05 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.72 3gi3 h LEU 138 Cb 0.72 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 3gi3 h LEU 138 CO 0.05 0.76 0.57 0.50 -0.34 0.00 0.00 178.44 179.98 3gi3 h LYS 139 N 1.10 1.11 0.56 1.25 3.64 -0.85 0.16 116.57 123.53 3gi3 h LYS 139 Ca 0.28 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 3gi3 h LYS 139 Cb -0.01 -0.25 0.01 0.00 -0.41 0.00 0.00 32.23 31.57 3gi3 h LYS 139 CO -0.05 0.73 -0.27 -0.92 -2.27 0.00 0.00 179.45 176.67 3gi3 h TYR 140 N 1.14 -0.70 -0.97 1.91 3.20 -1.22 -1.33 116.97 118.99 3gi3 h TYR 140 Ca 0.33 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.25 3gi3 h TYR 140 Cb -0.07 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.37 3gi3 h TYR 140 CO -0.01 -0.38 0.63 -0.84 -1.64 0.00 0.00 178.16 175.92 3gi3 h ILE 141 N -0.94 1.10 -0.05 1.81 3.07 -1.01 -1.57 117.51 119.93 3gi3 h ILE 141 Ca -0.08 -0.40 -0.09 0.00 1.55 0.00 0.00 64.86 65.85 3gi3 h ILE 141 Cb 0.64 -0.15 -0.01 0.00 -0.27 0.00 0.00 36.82 37.02 3gi3 h ILE 141 CO 0.13 0.21 -0.39 0.45 -1.05 0.00 0.00 178.15 177.49 3gi3 h HIS 142 N 1.15 0.11 0.00 0.16 3.86 -0.64 -2.20 115.15 117.59 3gi3 h HIS 142 Ca 0.41 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.60 3gi3 h HIS 142 Cb 0.14 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3gi3 h HIS 142 CO -0.00 0.48 0.00 -1.13 0.86 0.00 0.00 177.93 178.14 3gi3 n SER 143 N -4.05 0.00 -1.03 2.45 3.41 -0.51 -1.44 113.62 112.45 3gi3 n SER 143 Ca -0.02 -0.17 0.08 0.00 -0.26 0.00 0.00 58.87 58.50 3gi3 n SER 143 Cb 0.44 -0.20 0.27 0.00 -0.26 0.00 0.00 64.21 64.46 3gi3 n SER 143 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gi3 n ALA 144 N -1.20 2.98 -3.65 7.33 0.00 -0.85 -4.57 120.51 120.55 3gi3 n ALA 144 Ca 0.11 -2.02 -0.25 0.00 0.00 0.00 0.00 53.44 51.28 3gi3 n ALA 144 Cb 0.13 -0.74 0.07 0.00 0.00 0.00 0.00 19.45 18.90 3gi3 n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gi3 n ASP 145 N -0.07 -5.57 -4.20 0.00 8.00 -0.52 -4.72 116.55 109.47 3gi3 n ASP 145 Ca 0.21 -0.60 -0.27 0.00 0.71 0.00 0.00 54.79 54.84 3gi3 n ASP 145 Cb 0.86 -4.79 -0.16 0.00 -0.02 0.00 0.00 41.12 37.01 3gi3 n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gi3 s ILE 146 N -3.33 1.58 -0.10 0.53 1.01 -1.07 -5.05 121.20 114.76 3gi3 s ILE 146 Ca 0.54 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3gi3 s ILE 146 Cb -0.24 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 3gi3 s ILE 146 CO 0.75 0.45 -0.18 -0.63 0.00 0.00 0.00 174.94 175.33 3gi3 s ILE 147 N -0.35 2.60 0.00 2.92 1.01 -1.26 -3.79 121.20 122.32 3gi3 s ILE 147 Ca 0.05 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 59.62 3gi3 s ILE 147 Cb -0.09 -2.04 -0.15 0.00 0.01 0.00 0.00 42.46 40.20 3gi3 s ILE 147 CO 0.00 0.55 1.10 -0.74 0.00 0.00 0.00 174.94 175.85 3gi3 h HIS 148 N 6.47 -0.53 0.00 3.97 -0.00 -1.96 -3.47 115.15 119.63 3gi3 h HIS 148 Ca -0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 3gi3 h HIS 148 Cb 1.21 0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.80 3gi3 h HIS 148 CO 0.48 -0.21 0.00 0.54 -0.00 0.00 0.00 177.93 178.74 3gi3 n ARG 149 N -5.20 0.00 -2.66 5.26 1.74 -1.26 -4.78 116.66 109.76 3gi3 n ARG 149 Ca -0.10 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.89 3gi3 n ARG 149 Cb 0.29 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.28 3gi3 n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gi3 n ASP 150 N 0.00 1.81 -4.71 0.55 2.03 -1.26 -4.99 116.55 109.99 3gi3 n ASP 150 Ca 0.00 -2.71 -0.42 0.00 0.52 0.00 0.00 54.79 52.18 3gi3 n ASP 150 Cb 0.00 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.86 3gi3 n ASP 150 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3gi3 s LEU 151 N -3.27 4.35 -0.01 -2.67 1.43 -1.26 -4.86 118.68 112.38 3gi3 s LEU 151 Ca 0.29 2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 55.12 3gi3 s LEU 151 Cb 0.43 -3.57 0.10 0.00 0.03 0.00 0.00 46.19 43.18 3gi3 s LEU 151 CO 0.01 -0.53 1.02 -1.59 0.23 0.00 0.00 176.35 175.48 3gi3 s LYS 152 N 1.41 0.75 0.31 1.70 -2.85 -1.26 -4.78 119.74 115.02 3gi3 s LYS 152 Ca 0.59 -0.34 0.07 0.00 -1.00 0.00 0.00 55.97 55.29 3gi3 s LYS 152 Cb -0.29 0.31 0.77 0.00 -2.06 0.00 0.00 37.83 36.56 3gi3 s LYS 152 CO 0.28 -0.34 1.76 -1.35 0.10 0.00 0.00 175.35 175.80 3gi3 h PRO 153 N 2.00 0.69 0.00 1.78 0.11 -1.93 -0.37 132.00 134.28 3gi3 h PRO 153 Ca -0.21 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3gi3 h PRO 153 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gi3 h PRO 153 CO 0.28 0.46 0.00 0.66 -0.21 0.00 0.00 178.00 179.18 3gi3 h SER 154 N 0.71 0.00 -0.56 -2.05 4.64 -1.93 -1.96 113.55 112.40 3gi3 h SER 154 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 3gi3 h SER 154 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3gi3 h SER 154 CO -0.41 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.14 3gi3 n ASN 155 N -2.90 5.09 -4.09 4.97 3.02 -0.15 -4.85 115.26 116.36 3gi3 n ASN 155 Ca -0.01 -2.71 -0.32 0.00 -0.03 0.00 0.00 54.58 51.51 3gi3 n ASN 155 Cb 0.18 -0.64 -0.16 0.00 -0.61 0.00 0.00 39.78 38.56 3gi3 n ASN 155 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gi3 s LEU 156 N -2.28 2.18 -0.20 3.41 1.43 -0.76 -1.89 118.68 120.56 3gi3 s LEU 156 Ca 0.50 -0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 3gi3 s LEU 156 Cb 0.36 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 3gi3 s LEU 156 CO 0.18 -0.04 0.08 0.00 0.23 0.00 0.00 176.35 176.80 3gi3 s ALA 157 N 1.32 3.39 0.00 4.21 0.00 -0.27 -1.58 121.76 128.83 3gi3 s ALA 157 Ca 0.03 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.22 3gi3 s ALA 157 Cb -0.14 -2.01 -0.02 0.00 0.00 0.00 0.00 23.12 20.95 3gi3 s ALA 157 CO -0.12 0.01 -0.19 0.08 0.00 0.00 0.00 175.76 175.54 3gi3 s VAL 158 N 0.69 1.52 0.40 0.00 1.01 -0.17 -0.14 120.40 123.71 3gi3 s VAL 158 Ca 0.04 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.15 3gi3 s VAL 158 Cb -0.13 -1.29 0.06 0.00 0.00 0.00 0.00 36.38 35.02 3gi3 s VAL 158 CO 0.02 0.34 0.48 -0.46 0.00 0.00 0.00 175.10 175.48 3gi3 n ASN 159 N 2.36 1.67 0.25 3.32 0.23 -0.61 -2.69 115.26 119.80 3gi3 n ASN 159 Ca -0.16 -2.14 0.16 0.00 -0.53 0.00 0.00 54.58 51.92 3gi3 n ASN 159 Cb 0.53 -0.22 0.86 0.00 -2.08 0.00 0.00 39.78 38.87 3gi3 n ASN 159 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3gi3 h GLU 160 N 0.00 0.00 -0.53 -3.83 4.11 -1.99 0.11 114.58 112.45 3gi3 h GLU 160 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.23 3gi3 h GLU 160 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3gi3 h GLU 160 CO 0.30 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 179.13 3gi3 n ASP 161 N -2.64 3.48 -0.90 3.06 10.43 -1.26 -4.92 116.55 123.80 3gi3 n ASP 161 Ca -0.02 -1.98 -0.12 0.00 2.57 0.00 0.00 54.79 55.24 3gi3 n ASP 161 Cb 0.09 -0.35 -0.05 0.00 1.84 0.00 0.00 41.12 42.65 3gi3 n ASP 161 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gi3 s GLU 163 N -2.99 4.45 0.04 0.00 2.02 -1.26 -4.80 118.70 116.16 3gi3 s GLU 163 Ca 0.00 0.98 0.04 0.00 0.02 0.00 0.00 54.97 56.01 3gi3 s GLU 163 Cb 0.00 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 3gi3 s GLU 163 CO 0.00 0.33 -0.03 -1.17 0.02 0.00 0.00 175.26 174.41 3gi3 s LEU 164 N -0.18 3.35 -0.02 1.80 0.20 -1.26 -1.57 118.68 121.00 3gi3 s LEU 164 Ca 0.36 -0.14 0.02 0.00 0.69 0.00 0.00 54.13 55.07 3gi3 s LEU 164 Cb -0.20 -1.99 0.00 0.00 -0.43 0.00 0.00 46.19 43.57 3gi3 s LEU 164 CO 0.22 0.24 -0.08 -0.54 -0.29 0.00 0.00 176.35 175.89 3gi3 s LYS 165 N -1.80 0.80 -0.09 1.98 1.02 0.80 -4.22 119.74 118.23 3gi3 s LYS 165 Ca 0.21 -0.28 -0.12 0.00 0.02 0.00 0.00 55.97 55.80 3gi3 s LYS 165 Cb -0.11 -0.76 -0.05 0.00 -0.52 0.00 0.00 37.83 36.38 3gi3 s LYS 165 CO 0.12 0.12 0.28 0.42 -0.92 0.00 0.00 175.35 175.37 3gi3 s ILE 166 N 0.08 5.28 0.24 2.17 1.01 -0.64 -1.12 121.20 128.23 3gi3 s ILE 166 Ca -0.01 0.53 0.02 0.00 0.00 0.00 0.00 60.65 61.19 3gi3 s ILE 166 Cb -0.07 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 38.82 3gi3 s ILE 166 CO 0.00 0.53 0.27 0.00 0.00 0.00 0.00 174.94 175.74 3gi3 n LEU 167 N 2.46 0.00 -3.55 2.97 -0.00 -0.79 -1.37 117.00 116.71 3gi3 n LEU 167 Ca -0.15 -2.11 -0.19 0.00 -0.00 0.00 0.00 56.01 53.56 3gi3 n LEU 167 Cb 0.53 1.48 -0.14 0.00 -0.00 0.00 0.00 43.42 45.29 3gi3 n LEU 167 CO 0.36 -0.41 -0.22 -0.62 -0.00 0.00 0.00 177.39 176.49 3gi3 s ASP 168 N -2.58 1.32 -0.38 1.45 -1.08 -1.26 -4.77 116.67 109.36 3gi3 s ASP 168 Ca 0.24 -0.12 -0.05 0.00 -0.52 0.00 0.00 52.55 52.11 3gi3 s ASP 168 Cb 0.00 0.30 -0.14 0.00 -1.46 0.00 0.00 42.92 41.63 3gi3 s ASP 168 CO 0.17 -0.31 2.49 0.49 0.52 0.00 0.00 175.17 178.53 3gi3 n PHE 169 N 5.32 0.57 0.00 -5.34 3.72 -1.26 -5.17 117.46 115.30 3gi3 n PHE 169 Ca -0.06 -1.43 0.00 0.00 -0.05 0.00 0.00 57.45 55.91 3gi3 n PHE 169 Cb 0.50 -1.43 0.00 0.00 -0.94 0.00 0.00 39.48 37.60 3gi3 n PHE 169 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3gi3 n TYR 170 N 3.16 0.00 0.00 1.38 4.01 -1.26 -5.18 117.16 119.27 3gi3 n TYR 170 Ca 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 3gi3 n TYR 170 Cb 0.45 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 3gi3 n TYR 170 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 3gi3 n VAL 183 N -0.36 0.00 -1.66 -0.72 3.14 -1.26 -5.16 118.33 112.30 3gi3 n VAL 183 Ca 0.00 0.00 -0.52 0.00 -2.96 0.00 0.00 64.34 60.86 3gi3 n VAL 183 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 3gi3 n VAL 183 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gi3 n ALA 184 N 0.00 0.52 0.12 1.55 0.00 -1.26 -4.82 120.51 116.62 3gi3 n ALA 184 Ca 0.00 0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.57 3gi3 n ALA 184 Cb 0.00 -2.41 -0.08 0.00 0.00 0.00 0.00 19.45 16.96 3gi3 n ALA 184 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3gi3 h THR 185 N 5.62 0.85 -0.93 0.00 1.35 -1.96 -3.13 112.91 114.72 3gi3 h THR 185 Ca -0.45 -0.15 0.14 0.00 -0.55 0.00 0.00 66.41 65.40 3gi3 h THR 185 Cb 1.29 0.95 -0.08 0.00 -1.73 0.00 0.00 68.15 68.59 3gi3 h THR 185 CO 0.96 0.04 0.59 0.08 -0.25 0.00 0.00 175.52 176.94 3gi3 h ARG 186 N -0.32 0.75 0.00 4.72 -0.00 -1.95 -1.34 114.38 116.24 3gi3 h ARG 186 Ca -0.03 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.98 59.91 3gi3 h ARG 186 Cb 0.25 -0.17 -0.00 0.00 -0.00 0.00 0.00 29.97 30.05 3gi3 h ARG 186 CO 0.04 0.49 -0.01 -1.49 -0.00 0.00 0.00 179.97 179.01 3gi3 h TRP 187 N 0.77 0.00 -0.15 4.08 6.55 -1.81 -0.94 115.95 124.44 3gi3 h TRP 187 Ca 0.47 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.31 3gi3 h TRP 187 Cb 0.68 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.98 3gi3 h TRP 187 CO -0.00 0.01 0.00 0.66 -1.05 0.00 0.00 178.44 178.05 3gi3 n TYR 188 N -3.53 0.19 -2.49 0.49 4.02 -0.56 -4.58 117.16 110.70 3gi3 n TYR 188 Ca -0.03 -0.19 -0.41 0.00 -0.01 0.00 0.00 57.90 57.26 3gi3 n TYR 188 Cb 0.09 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.36 3gi3 n TYR 188 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3gi3 s ARG 189 N -1.01 4.60 0.34 -0.72 6.06 -0.36 -3.57 118.95 124.29 3gi3 s ARG 189 Ca 0.18 1.75 -0.28 0.00 -2.50 0.00 0.00 55.73 54.88 3gi3 s ARG 189 Cb 0.11 -3.25 -0.10 0.00 0.06 0.00 0.00 34.95 31.77 3gi3 s ARG 189 CO 0.16 0.09 1.25 0.00 -2.50 0.00 0.00 175.30 174.30 3gi3 s ALA 190 N -0.44 3.41 0.23 6.12 0.00 -1.26 -4.94 121.76 124.87 3gi3 s ALA 190 Ca 0.48 1.15 -0.07 0.00 0.00 0.00 0.00 51.96 53.52 3gi3 s ALA 190 Cb -0.30 -3.44 0.32 0.00 0.00 0.00 0.00 23.12 19.70 3gi3 s ALA 190 CO 0.36 -0.55 1.79 -1.00 0.00 0.00 0.00 175.76 176.37 3gi3 h PRO 191 N 3.30 0.65 -0.01 0.00 0.13 -1.95 -1.83 132.00 132.30 3gi3 h PRO 191 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3gi3 h PRO 191 Cb 1.23 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3gi3 h PRO 191 CO 0.65 0.43 0.04 1.05 -0.23 0.00 0.00 178.00 179.94 3gi3 h GLU 192 N 0.67 0.00 0.16 0.86 9.09 -1.92 -0.87 114.58 122.57 3gi3 h GLU 192 Ca 0.35 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.44 3gi3 h GLU 192 Cb 0.32 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.42 3gi3 h GLU 192 CO -0.24 0.00 -1.56 0.82 0.05 0.00 0.00 179.01 178.08 3gi3 h ILE 193 N 0.00 1.14 0.00 -1.06 2.04 -1.71 -1.39 117.51 116.53 3gi3 h ILE 193 Ca 0.00 -2.73 0.00 0.00 1.00 0.00 0.00 64.86 63.14 3gi3 h ILE 193 Cb 0.08 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 3gi3 h ILE 193 CO -0.00 0.83 0.00 0.23 0.00 0.00 0.00 178.15 179.21 3gi3 n MET 194 N -3.54 0.21 -0.15 2.37 2.81 -0.57 -2.37 117.12 115.87 3gi3 n MET 194 Ca -0.18 0.22 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 3gi3 n MET 194 Cb 1.06 -1.77 0.20 0.00 -0.71 0.00 0.00 33.22 32.00 3gi3 n MET 194 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3gi3 n LEU 195 N -2.13 3.33 -3.82 4.03 4.77 -0.44 -4.98 117.00 117.77 3gi3 n LEU 195 Ca 0.05 -1.37 -0.24 0.00 -0.03 0.00 0.00 56.01 54.43 3gi3 n LEU 195 Cb 0.37 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3gi3 n LEU 195 CO 0.27 0.68 -0.12 -3.20 -1.33 0.00 0.00 177.39 173.70 3gi3 n ASN 196 N 1.44 -1.08 0.00 -1.43 5.15 -1.00 -4.87 115.26 113.47 3gi3 n ASN 196 Ca 0.18 -0.89 0.13 0.00 -0.60 0.00 0.00 54.58 53.40 3gi3 n ASN 196 Cb 0.60 -3.65 0.64 0.00 -0.53 0.00 0.00 39.78 36.84 3gi3 n ASN 196 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 3gi3 n TRP 197 N -4.34 0.00 -1.55 1.20 8.01 -0.54 -4.98 117.44 115.24 3gi3 n TRP 197 Ca -0.28 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.91 3gi3 n TRP 197 Cb 0.67 -0.34 0.00 0.00 -2.01 0.00 0.00 31.31 29.63 3gi3 n TRP 197 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35 3gi3 n MET 198 N -1.34 -0.17 0.00 -0.99 2.81 -1.26 -4.77 117.12 111.39 3gi3 n MET 198 Ca 0.11 0.34 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 3gi3 n MET 198 Cb 0.24 -0.39 0.00 0.00 -0.71 0.00 0.00 33.22 32.36 3gi3 n MET 198 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3gi3 n HIS 199 N 0.95 0.00 -1.65 2.03 8.25 -1.26 -5.15 115.22 118.39 3gi3 n HIS 199 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.01 3gi3 n HIS 199 Cb 0.17 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 3gi3 n HIS 199 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3gi3 n TYR 200 N 0.00 1.98 -3.24 4.41 4.01 -1.26 -5.02 117.16 118.05 3gi3 n TYR 200 Ca 0.00 0.51 -0.20 0.00 -0.16 0.00 0.00 57.90 58.05 3gi3 n TYR 200 Cb 0.00 -2.41 0.01 0.00 -0.31 0.00 0.00 39.34 36.63 3gi3 n TYR 200 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3gi3 s ASN 201 N 0.10 5.26 0.46 7.72 4.22 -1.26 -5.02 114.94 126.42 3gi3 s ASN 201 Ca 0.66 -0.70 0.13 0.00 -2.14 0.00 0.00 52.86 50.81 3gi3 s ASN 201 Cb -0.67 -0.27 1.04 0.00 1.28 0.00 0.00 41.25 42.63 3gi3 s ASN 201 CO 0.52 -0.93 2.06 1.56 -2.04 0.00 0.00 177.10 178.27 3gi3 h GLN 202 N 0.62 0.16 0.00 3.55 4.20 -1.96 -2.55 115.11 119.12 3gi3 h GLN 202 Ca -0.37 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.32 3gi3 h GLN 202 Cb 1.28 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.03 3gi3 h GLN 202 CO 0.48 0.18 0.00 0.25 -0.67 0.00 0.00 178.83 179.07 3gi3 n THR 203 N -4.43 0.39 0.12 -0.54 -2.24 -1.26 -1.07 114.28 105.25 3gi3 n THR 203 Ca -0.01 0.10 0.05 0.00 -2.27 0.00 0.00 64.05 61.91 3gi3 n THR 203 Cb 0.15 -1.06 0.48 0.00 -2.10 0.00 0.00 70.33 67.81 3gi3 n THR 203 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3gi3 h VAL 204 N 0.00 1.09 0.01 2.28 2.07 -1.83 0.41 116.25 120.28 3gi3 h VAL 204 Ca 0.00 -0.32 -0.19 0.00 0.82 0.00 0.00 66.70 67.01 3gi3 h VAL 204 Cb 0.01 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3gi3 h VAL 204 CO 0.00 0.12 -0.89 0.44 0.02 0.00 0.00 177.57 177.25 3gi3 h ASP 205 N 0.26 0.07 0.22 0.57 3.45 -1.36 -3.08 116.42 116.55 3gi3 h ASP 205 Ca 0.07 -0.06 -0.06 0.00 0.43 0.00 0.00 57.03 57.40 3gi3 h ASP 205 Cb 0.10 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 3gi3 h ASP 205 CO -0.00 0.92 -0.27 0.40 -1.57 0.00 0.00 179.24 178.72 3gi3 h ILE 206 N 0.02 1.21 -0.19 0.35 1.08 -1.10 -0.84 117.51 118.04 3gi3 h ILE 206 Ca -0.02 -1.00 -0.06 0.00 -0.39 0.00 0.00 64.86 63.39 3gi3 h ILE 206 Cb 1.56 1.48 -0.00 0.00 -3.07 0.00 0.00 36.82 36.78 3gi3 h ILE 206 CO 0.12 0.29 -0.11 -0.25 -0.69 0.00 0.00 178.15 177.52 3gi3 h TRP 207 N 0.07 0.48 -0.55 1.37 2.91 -1.12 -1.53 115.95 117.59 3gi3 h TRP 207 Ca 0.01 -0.13 0.05 0.00 1.13 0.00 0.00 58.89 59.95 3gi3 h TRP 207 Cb 0.51 -0.11 -0.05 0.00 -0.51 0.00 0.00 29.16 29.01 3gi3 h TRP 207 CO 0.00 0.73 0.28 0.77 -1.03 0.00 0.00 178.44 179.19 3gi3 h SER 208 N 0.10 0.41 -0.85 2.65 0.02 -1.37 -1.12 113.55 113.39 3gi3 h SER 208 Ca 0.04 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3gi3 h SER 208 Cb 0.61 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 3gi3 h SER 208 CO 0.03 0.28 0.56 0.58 -1.14 0.00 0.00 176.83 177.14 3gi3 h VAL 209 N 0.55 1.15 -0.44 2.27 2.07 -1.01 0.06 116.25 120.89 3gi3 h VAL 209 Ca 0.24 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3gi3 h VAL 209 Cb 0.15 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 3gi3 h VAL 209 CO -0.16 0.20 0.20 1.23 0.02 0.00 0.00 177.57 179.05 3gi3 h GLY 210 N 1.07 0.70 1.34 2.17 0.00 -0.18 0.85 103.07 109.03 3gi3 h GLY 210 Ca 0.34 -0.36 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 3gi3 h GLY 210 CO -0.10 0.34 -0.03 0.00 0.00 0.00 0.00 176.54 176.76 3gi3 h ILE 212 N 0.74 0.77 -0.93 0.00 2.04 -0.62 -2.25 117.51 117.26 3gi3 h ILE 212 Ca 0.14 -0.49 0.08 0.00 1.00 0.00 0.00 64.86 65.60 3gi3 h ILE 212 Cb 0.49 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 3gi3 h ILE 212 CO 0.02 0.10 0.58 -0.03 0.00 0.00 0.00 178.15 178.82 3gi3 h MET 213 N -0.63 0.97 -0.46 2.37 4.05 -0.76 -1.00 114.93 119.47 3gi3 h MET 213 Ca -0.04 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.35 3gi3 h MET 213 Cb 0.45 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 31.00 3gi3 h MET 213 CO 0.06 0.64 0.25 0.00 0.23 0.00 0.00 176.91 178.10 3gi3 h ALA 214 N 1.46 0.58 -0.38 0.39 0.00 -1.11 -1.73 119.26 118.46 3gi3 h ALA 214 Ca 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 3gi3 h ALA 214 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3gi3 h ALA 214 CO -0.21 -0.08 0.04 1.49 0.00 0.00 0.00 179.25 180.49 3gi3 h GLU 215 N 0.50 0.58 -0.01 0.00 4.81 -0.66 -0.15 114.58 119.65 3gi3 h GLU 215 Ca 0.19 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.17 3gi3 h GLU 215 Cb 0.06 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3gi3 h GLU 215 CO -0.11 0.58 -0.59 -0.07 -0.73 0.00 0.00 179.01 178.08 3gi3 h LEU 216 N 0.56 0.05 0.14 1.64 3.38 -0.68 -0.20 115.31 120.20 3gi3 h LEU 216 Ca 0.12 -0.03 -0.33 0.00 0.09 0.00 0.00 57.88 57.73 3gi3 h LEU 216 Cb 0.30 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3gi3 h LEU 216 CO 0.01 0.63 -1.68 -0.07 0.09 0.00 0.00 178.44 177.42 3gi3 h LEU 217 N 0.03 0.47 0.00 1.67 3.38 -0.94 -3.36 115.31 116.55 3gi3 h LEU 217 Ca -0.01 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.24 3gi3 h LEU 217 Cb 1.06 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3gi3 h LEU 217 CO 0.08 1.61 -1.61 0.35 0.09 0.00 0.00 178.44 178.96 3gi3 n THR 218 N -3.49 0.30 0.00 0.22 -2.24 -0.10 -4.96 114.28 104.01 3gi3 n THR 218 Ca -0.21 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 3gi3 n THR 218 Cb 1.06 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 3gi3 n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gi3 n GLY 219 N 1.24 2.85 3.40 3.38 0.00 -0.09 -5.03 105.19 110.94 3gi3 n GLY 219 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 3gi3 n GLY 219 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gi3 s ARG 220 N -0.66 1.47 0.13 1.61 1.04 -1.24 -4.96 118.95 116.35 3gi3 s ARG 220 Ca 0.00 -1.55 -0.31 0.00 -1.04 0.00 0.00 55.73 52.83 3gi3 s ARG 220 Cb 0.00 -1.63 -0.10 0.00 -2.04 0.00 0.00 34.95 31.18 3gi3 s ARG 220 CO 0.00 0.33 1.81 0.99 -0.04 0.00 0.00 175.30 178.39 3gi3 s THR 221 N -2.06 2.51 0.09 4.99 2.01 -1.26 -4.02 115.64 117.89 3gi3 s THR 221 Ca 0.22 0.07 -0.19 0.00 0.31 0.00 0.00 61.69 62.10 3gi3 s THR 221 Cb -0.06 -3.05 -0.08 0.00 0.01 0.00 0.00 72.50 69.33 3gi3 s THR 221 CO 0.10 0.00 1.55 0.25 -0.69 0.00 0.00 174.62 175.83 3gi3 h LEU 222 N 8.40 0.41 -6.83 4.42 5.85 -1.91 -3.36 115.31 122.28 3gi3 h LEU 222 Ca -0.45 -0.27 -0.61 0.00 0.84 0.00 0.00 57.88 57.38 3gi3 h LEU 222 Cb 1.21 -0.11 -0.41 0.00 0.37 0.00 0.00 40.66 41.72 3gi3 h LEU 222 CO 0.95 0.58 -0.66 0.49 -0.34 0.00 0.00 178.44 179.45 3gi3 n PHE 223 N -4.67 2.42 -1.89 1.25 3.01 -1.26 -5.02 117.46 111.30 3gi3 n PHE 223 Ca -0.03 -4.09 -0.42 0.00 1.01 0.00 0.00 57.45 53.91 3gi3 n PHE 223 Cb 0.21 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.24 3gi3 n PHE 223 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3gi3 n PRO 224 N 1.99 2.97 -2.74 -1.08 -0.04 -1.26 -4.66 135.00 130.17 3gi3 n PRO 224 Ca 0.23 -2.77 -0.26 0.00 -0.04 0.00 0.00 63.50 60.66 3gi3 n PRO 224 Cb 0.39 -3.27 0.01 0.00 -0.04 0.00 0.00 33.50 30.58 3gi3 n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3gi3 s GLY 225 N 3.07 1.52 0.00 0.55 0.00 -1.26 -5.00 107.32 106.20 3gi3 s GLY 225 Ca 0.47 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.48 3gi3 s GLY 225 CO -0.06 -0.53 0.00 2.41 0.00 0.00 0.00 173.10 174.92 3gi3 n THR 226 N -2.24 0.00 -2.12 0.90 -1.04 -1.26 -4.85 114.28 103.66 3gi3 n THR 226 Ca 0.01 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.74 3gi3 n THR 226 Cb 0.56 -0.11 0.05 0.00 -1.82 0.00 0.00 70.33 69.02 3gi3 n THR 226 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3gi3 s ASP 227 N -1.00 5.22 0.40 8.00 -4.77 -1.26 -4.86 116.67 118.39 3gi3 s ASP 227 Ca 0.00 0.80 0.10 0.00 -3.30 0.00 0.00 52.55 50.15 3gi3 s ASP 227 Cb 0.00 -1.58 0.89 0.00 -1.09 0.00 0.00 42.92 41.14 3gi3 s ASP 227 CO 0.00 -1.39 1.96 0.45 0.70 0.00 0.00 175.17 176.89 3gi3 h HIS 228 N -0.55 0.60 -0.04 2.11 3.86 -1.99 -1.11 115.15 118.04 3gi3 h HIS 228 Ca -0.45 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 58.80 3gi3 h HIS 228 Cb 1.28 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.52 3gi3 h HIS 228 CO 0.43 0.30 -0.11 0.82 0.86 0.00 0.00 177.93 180.22 3gi3 h ILE 229 N 0.58 0.70 -1.00 2.45 1.08 -1.95 0.44 117.51 119.80 3gi3 h ILE 229 Ca 0.30 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.81 3gi3 h ILE 229 Cb 0.42 0.70 -0.06 0.00 -3.07 0.00 0.00 36.82 34.81 3gi3 h ILE 229 CO -0.10 0.00 0.65 -0.78 -0.69 0.00 0.00 178.15 177.23 3gi3 h ASP 230 N -0.17 1.08 0.45 1.72 3.58 -1.68 -0.58 116.42 120.82 3gi3 h ASP 230 Ca 0.06 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 3gi3 h ASP 230 Cb 0.25 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3gi3 h ASP 230 CO -0.15 0.74 -0.35 1.56 -2.88 0.00 0.00 179.24 178.17 3gi3 h GLN 231 N 1.25 -0.76 -0.52 0.28 1.08 0.08 -1.24 115.11 115.29 3gi3 h GLN 231 Ca 0.40 0.05 0.10 0.00 -1.45 0.00 0.00 58.65 57.75 3gi3 h GLN 231 Cb 0.01 0.17 -0.08 0.00 -0.05 0.00 0.00 27.48 27.53 3gi3 h GLN 231 CO -0.13 -0.50 0.06 -0.07 -0.95 0.00 0.00 178.83 177.24 3gi3 h LEU 232 N -0.79 -0.09 -0.41 1.46 -0.00 0.29 -0.59 115.31 115.19 3gi3 h LEU 232 Ca -0.04 0.11 0.04 0.00 -0.00 0.00 0.00 57.88 57.98 3gi3 h LEU 232 Cb 0.67 0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 41.46 3gi3 h LEU 232 CO -0.00 -0.02 0.18 0.11 -0.00 0.00 0.00 178.44 178.71 3gi3 h LYS 233 N 0.19 0.36 -0.91 1.13 1.57 -0.87 0.29 116.57 118.32 3gi3 h LYS 233 Ca 0.26 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3gi3 h LYS 233 Cb 0.38 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.57 3gi3 h LYS 233 CO -0.38 0.24 0.54 -0.07 -0.57 0.00 0.00 179.45 179.21 3gi3 h LEU 234 N 0.37 1.10 0.31 2.94 4.07 -0.49 -2.23 115.31 121.38 3gi3 h LEU 234 Ca 0.18 -0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.06 3gi3 h LEU 234 Cb 0.13 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.59 3gi3 h LEU 234 CO -0.16 0.85 -0.15 0.40 -1.08 0.00 0.00 178.44 178.31 3gi3 h ILE 235 N 1.26 0.72 -0.33 1.22 2.04 -0.32 -3.20 117.51 118.89 3gi3 h ILE 235 Ca 0.33 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3gi3 h ILE 235 Cb -0.04 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3gi3 h ILE 235 CO -0.06 0.10 0.17 -0.07 0.00 0.00 0.00 178.15 178.29 3gi3 h LEU 236 N -0.69 0.39 -0.72 1.44 -0.00 -0.92 -0.18 115.31 114.63 3gi3 h LEU 236 Ca -0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 3gi3 h LEU 236 Cb 0.48 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 3gi3 h LEU 236 CO 0.07 0.33 0.00 -1.14 -0.00 0.00 0.00 178.44 177.70 3gi3 n ARG 237 N -4.44 0.15 -0.11 1.13 0.63 -0.84 -0.22 116.66 112.96 3gi3 n ARG 237 Ca 0.02 0.45 -0.22 0.00 -0.92 0.00 0.00 57.85 57.17 3gi3 n ARG 237 Cb 0.10 -1.83 -0.08 0.00 0.45 0.00 0.00 32.46 31.10 3gi3 n ARG 237 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3gi3 n LEU 238 N -2.12 1.79 -0.54 6.15 -0.00 -0.22 0.19 117.00 122.25 3gi3 n LEU 238 Ca 0.02 0.20 0.14 0.00 -0.00 0.00 0.00 56.01 56.36 3gi3 n LEU 238 Cb 0.18 -0.66 0.47 0.00 -0.00 0.00 0.00 43.42 43.41 3gi3 n LEU 238 CO 0.16 0.52 0.84 1.33 -0.00 0.00 0.00 177.39 180.24 3gi3 n VAL 239 N -3.84 0.02 0.00 1.96 0.24 -0.36 -4.70 118.33 111.65 3gi3 n VAL 239 Ca -0.42 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 3gi3 n VAL 239 Cb 0.82 0.60 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 3gi3 n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gi3 n GLY 240 N 1.19 -1.93 3.74 7.63 0.00 0.70 -4.76 105.19 111.77 3gi3 n GLY 240 Ca 0.18 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 3gi3 n GLY 240 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gi3 n THR 241 N -1.38 2.49 -1.67 2.61 -1.04 -1.26 -4.81 114.28 109.23 3gi3 n THR 241 Ca 0.00 -0.50 -0.46 0.00 -2.04 0.00 0.00 64.05 61.05 3gi3 n THR 241 Cb 0.00 -1.78 -0.04 0.00 -1.82 0.00 0.00 70.33 66.69 3gi3 n THR 241 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3gi3 n PRO 242 N 0.07 2.12 -1.95 -2.82 -0.02 -1.26 -4.96 135.00 126.17 3gi3 n PRO 242 Ca 0.05 0.76 -0.29 0.00 -2.02 0.00 0.00 63.50 62.00 3gi3 n PRO 242 Cb 0.40 -2.49 0.12 0.00 -0.02 0.00 0.00 33.50 31.51 3gi3 n PRO 242 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3gi3 s GLY 243 N 0.71 1.67 0.15 -1.23 0.00 -1.26 -4.81 107.32 102.54 3gi3 s GLY 243 Ca 0.75 -0.90 -0.17 0.00 0.00 0.00 0.00 44.72 44.40 3gi3 s GLY 243 CO 0.42 -0.31 1.75 0.00 0.00 0.00 0.00 173.10 174.95 3gi3 h ALA 244 N -1.23 0.35 -0.87 3.20 0.00 -1.98 0.58 119.26 119.32 3gi3 h ALA 244 Ca -0.45 0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.61 3gi3 h ALA 244 Cb 1.29 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 3gi3 h ALA 244 CO 0.55 -0.30 0.50 1.49 0.00 0.00 0.00 179.25 181.49 3gi3 h GLU 245 N 0.23 0.79 0.10 0.00 4.81 -2.01 -2.40 114.58 116.10 3gi3 h GLU 245 Ca 0.14 -0.05 -0.28 0.00 -0.13 0.00 0.00 59.36 59.04 3gi3 h GLU 245 Cb 0.12 -0.18 0.03 0.00 0.63 0.00 0.00 28.75 29.35 3gi3 h GLU 245 CO -0.15 0.52 -1.17 1.25 -0.73 0.00 0.00 179.01 178.73 3gi3 h LEU 246 N 0.81 0.85 -2.19 1.64 6.46 -1.85 -3.28 115.31 117.75 3gi3 h LEU 246 Ca 0.43 -0.82 0.06 0.00 -0.12 0.00 0.00 57.88 57.43 3gi3 h LEU 246 Cb 0.43 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 3gi3 h LEU 246 CO -0.27 1.58 0.23 -0.07 -0.62 0.00 0.00 178.44 179.29 3gi3 h LEU 247 N 0.24 0.00 -0.16 2.25 4.07 -0.44 -1.39 115.31 119.87 3gi3 h LEU 247 Ca -0.18 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.78 3gi3 h LEU 247 Cb 1.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.59 3gi3 h LEU 247 CO 0.23 0.00 0.00 0.07 -1.08 0.00 0.00 178.44 177.66 3gi3 h LYS 248 N 0.00 0.00 -0.18 1.13 2.10 -1.50 -3.14 116.57 114.98 3gi3 h LYS 248 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 3gi3 h LYS 248 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 3gi3 h LYS 248 CO -0.00 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.08 3gi3 n LYS 249 N -2.42 1.93 -3.37 0.07 5.02 -0.53 -4.77 118.16 114.09 3gi3 n LYS 249 Ca 0.05 -1.39 -0.44 0.00 -2.02 0.00 0.00 58.31 54.51 3gi3 n LYS 249 Cb 0.41 -1.44 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 3gi3 n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gi3 s ILE 250 N -1.78 5.19 0.06 -0.18 1.01 -1.19 -4.97 121.20 119.34 3gi3 s ILE 250 Ca 0.34 -0.86 -0.32 0.00 0.00 0.00 0.00 60.65 59.81 3gi3 s ILE 250 Cb 0.19 -4.10 -0.18 0.00 0.01 0.00 0.00 42.46 38.38 3gi3 s ILE 250 CO 0.29 -0.54 1.53 -1.28 0.00 0.00 0.00 174.94 174.94 3gi3 h SER 251 N 8.75 -0.76 -2.92 3.58 0.87 -1.89 -3.44 113.55 117.74 3gi3 h SER 251 Ca -0.28 0.01 -0.53 0.00 -1.23 0.00 0.00 61.79 59.76 3gi3 h SER 251 Cb 1.11 0.20 0.07 0.00 -0.44 0.00 0.00 62.40 63.34 3gi3 h SER 251 CO 0.85 -0.50 0.93 -0.24 -0.53 0.00 0.00 176.83 177.35 3gi3 n SER 252 N -5.45 3.87 0.11 6.23 2.88 -1.26 -4.92 113.62 115.08 3gi3 n SER 252 Ca -0.13 1.10 -0.18 0.00 -1.33 0.00 0.00 58.87 58.33 3gi3 n SER 252 Cb 0.37 -1.57 -0.15 0.00 -0.75 0.00 0.00 64.21 62.11 3gi3 n SER 252 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3gi3 h GLU 253 N 5.77 0.34 0.00 -1.46 4.57 -1.99 -1.82 114.58 120.00 3gi3 h GLU 253 Ca -0.45 -0.59 -0.09 0.00 -1.18 0.00 0.00 59.36 57.05 3gi3 h GLU 253 Cb 1.22 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 30.01 3gi3 h GLU 253 CO 0.87 1.27 -0.43 0.66 -1.18 0.00 0.00 179.01 180.21 3gi3 h SER 254 N 0.09 0.00 -0.03 1.04 4.64 -1.98 -0.67 113.55 116.64 3gi3 h SER 254 Ca -0.18 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 60.93 3gi3 h SER 254 Cb 2.03 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 64.14 3gi3 h SER 254 CO 0.22 0.43 -0.79 0.00 -0.87 0.00 0.00 176.83 175.82 3gi3 h ALA 255 N 1.57 0.14 -0.40 5.18 0.00 -1.95 -0.62 119.26 123.17 3gi3 h ALA 255 Ca -0.00 -0.62 0.05 0.00 0.00 0.00 0.00 54.91 54.33 3gi3 h ALA 255 Cb 0.77 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3gi3 h ALA 255 CO 0.06 0.53 0.16 -0.09 0.00 0.00 0.00 179.25 179.90 3gi3 h ARG 256 N 0.20 0.32 -0.44 0.00 2.43 -0.95 -2.13 114.38 113.81 3gi3 h ARG 256 Ca -0.09 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.92 3gi3 h ARG 256 Cb 1.47 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.93 3gi3 h ARG 256 CO 0.16 0.21 -0.27 -0.91 -1.51 0.00 0.00 179.97 177.65 3gi3 h ASN 257 N 0.33 0.97 -0.43 -3.80 -0.26 -1.14 -3.20 115.58 108.05 3gi3 h ASN 257 Ca 0.18 -0.39 0.02 0.00 -0.56 0.00 0.00 56.30 55.56 3gi3 h ASN 257 Cb 0.15 -0.27 -0.03 0.00 -1.06 0.00 0.00 38.32 37.11 3gi3 h ASN 257 CO -0.17 1.17 0.25 0.22 -1.06 0.00 0.00 177.43 177.84 3gi3 h TYR 258 N 0.80 0.47 -0.06 1.19 3.20 -0.62 -0.82 116.97 121.13 3gi3 h TYR 258 Ca 0.09 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 3gi3 h TYR 258 Cb 0.84 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 3gi3 h TYR 258 CO 0.05 0.27 -0.14 0.82 -1.64 0.00 0.00 178.16 177.52 3gi3 h ILE 259 N 0.50 1.13 -0.17 1.81 1.08 -1.43 -1.80 117.51 118.63 3gi3 h ILE 259 Ca 0.17 -0.60 -0.17 0.00 -0.39 0.00 0.00 64.86 63.88 3gi3 h ILE 259 Cb 0.02 1.24 0.01 0.00 -3.07 0.00 0.00 36.82 35.02 3gi3 h ILE 259 CO -0.08 0.18 -0.54 1.56 -0.69 0.00 0.00 178.15 178.57 3gi3 h GLN 260 N 0.08 0.67 -0.56 2.37 4.20 -1.40 -3.01 115.11 117.46 3gi3 h GLN 260 Ca 0.02 -0.49 0.01 0.00 0.06 0.00 0.00 58.65 58.24 3gi3 h GLN 260 Cb 0.29 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 3gi3 h GLN 260 CO 0.02 1.11 0.37 0.77 -0.67 0.00 0.00 178.83 180.43 3gi3 h SER 261 N 0.35 0.64 0.96 1.46 0.02 -0.61 -1.60 113.55 114.77 3gi3 h SER 261 Ca -0.02 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3gi3 h SER 261 Cb 1.17 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.55 3gi3 h SER 261 CO 0.12 0.46 0.00 0.18 -1.14 0.00 0.00 176.83 176.45 3gi3 n LEU 262 N -4.45 0.42 -2.64 5.07 4.77 -0.73 -3.62 117.00 115.82 3gi3 n LEU 262 Ca 0.05 0.57 -0.36 0.00 -0.03 0.00 0.00 56.01 56.24 3gi3 n LEU 262 Cb 0.05 -0.47 0.04 0.00 -2.33 0.00 0.00 43.42 40.72 3gi3 n LEU 262 CO 0.36 -0.26 1.25 0.35 -1.33 0.00 0.00 177.39 177.76 3gi3 n THR 263 N -1.92 3.37 -0.68 -5.08 -2.24 -0.60 -4.45 114.28 102.68 3gi3 n THR 263 Ca 0.04 -4.01 0.08 0.00 -2.27 0.00 0.00 64.05 57.89 3gi3 n THR 263 Cb 0.30 -1.22 0.24 0.00 -2.10 0.00 0.00 70.33 67.55 3gi3 n THR 263 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gi3 n GLN 264 N -0.65 3.07 -3.65 -0.78 1.13 -1.24 -4.84 117.38 110.43 3gi3 n GLN 264 Ca 0.54 -2.60 -0.28 0.00 -1.94 0.00 0.00 57.00 52.72 3gi3 n GLN 264 Cb 0.46 -1.67 -0.03 0.00 0.11 0.00 0.00 30.24 29.10 3gi3 n GLN 264 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3gi3 s MET 265 N -2.11 3.54 -0.33 -1.09 -1.94 -1.26 -5.00 119.30 111.11 3gi3 s MET 265 Ca 0.37 -0.28 -0.31 0.00 -1.71 0.00 0.00 55.69 53.76 3gi3 s MET 265 Cb 0.27 -2.81 -0.08 0.00 2.01 0.00 0.00 34.83 34.21 3gi3 s MET 265 CO 0.13 0.38 2.25 -2.30 -0.01 0.00 0.00 175.02 175.47 3gi3 n PRO 266 N -0.66 1.43 -0.82 2.03 -0.02 -1.26 -4.85 135.00 130.86 3gi3 n PRO 266 Ca -0.04 0.36 -0.34 0.00 -2.02 0.00 0.00 63.50 61.45 3gi3 n PRO 266 Cb 0.54 -2.89 0.11 0.00 -0.02 0.00 0.00 33.50 31.24 3gi3 n PRO 266 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3gi3 n LYS 267 N 8.56 -0.61 -4.11 -0.52 4.81 -1.26 -4.96 118.16 120.07 3gi3 n LYS 267 Ca 0.37 -0.16 -0.08 0.00 -0.87 0.00 0.00 58.31 57.57 3gi3 n LYS 267 Cb 0.36 -1.56 -0.10 0.00 0.02 0.00 0.00 35.03 33.74 3gi3 n LYS 267 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3gi3 s MET 268 N -3.11 0.70 0.28 1.64 -1.94 0.13 -5.01 119.30 112.00 3gi3 s MET 268 Ca 0.51 -1.28 0.10 0.00 -1.71 0.00 0.00 55.69 53.32 3gi3 s MET 268 Cb -0.14 0.21 -0.05 0.00 2.01 0.00 0.00 34.83 36.86 3gi3 s MET 268 CO 0.70 -0.15 -0.08 0.54 -0.01 0.00 0.00 175.02 176.01 3gi3 s ASN 269 N -2.96 4.09 0.00 3.03 4.22 -1.26 -4.57 114.94 117.49 3gi3 s ASN 269 Ca 0.12 -0.86 -0.04 0.00 -2.14 0.00 0.00 52.86 49.94 3gi3 s ASN 269 Cb 0.08 -0.57 -0.02 0.00 1.28 0.00 0.00 41.25 42.01 3gi3 s ASN 269 CO -0.07 -0.01 0.80 -0.26 -2.04 0.00 0.00 177.10 175.52 3gi3 h PHE 270 N 2.04 -0.12 -0.38 1.54 -1.00 -1.99 -3.13 116.94 113.89 3gi3 h PHE 270 Ca -0.42 -0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.41 3gi3 h PHE 270 Cb 1.25 0.04 -0.06 0.00 3.61 0.00 0.00 35.95 40.79 3gi3 h PHE 270 CO 0.74 -0.08 -0.15 0.00 -1.61 0.00 0.00 178.31 177.21 3gi3 n ALA 271 N -2.09 -0.05 0.10 2.45 0.00 -1.26 0.94 120.51 120.59 3gi3 n ALA 271 Ca -0.02 0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.67 3gi3 n ALA 271 Cb 0.05 -0.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 3gi3 n ALA 271 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3gi3 h ASN 272 N 0.00 -1.06 0.08 0.00 -0.00 -2.00 -0.92 115.58 111.68 3gi3 h ASN 272 Ca 0.13 0.13 -0.01 0.00 -0.00 0.00 0.00 56.30 56.55 3gi3 h ASN 272 Cb 0.23 0.41 -0.00 0.00 -0.00 0.00 0.00 38.32 38.95 3gi3 h ASN 272 CO -0.38 -0.43 -0.04 0.58 -0.00 0.00 0.00 177.43 177.16 3gi3 h VAL 273 N -0.57 0.67 -0.14 2.57 2.07 0.62 -2.94 116.25 118.53 3gi3 h VAL 273 Ca 0.04 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 3gi3 h VAL 273 Cb 0.62 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.41 3gi3 h VAL 273 CO -0.24 0.04 -0.50 0.49 0.02 0.00 0.00 177.57 177.38 3gi3 n PHE 274 N -3.97 0.49 -1.75 1.57 3.01 -0.82 -5.00 117.46 110.99 3gi3 n PHE 274 Ca -0.03 -1.62 -0.42 0.00 1.01 0.00 0.00 57.45 56.40 3gi3 n PHE 274 Cb 0.12 -0.29 -0.01 0.00 -0.01 0.00 0.00 39.48 39.30 3gi3 n PHE 274 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3gi3 n ILE 275 N -1.06 1.56 0.00 4.37 5.41 -0.39 -2.36 119.36 126.89 3gi3 n ILE 275 Ca 0.24 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.60 3gi3 n ILE 275 Cb 0.76 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 3gi3 n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gi3 n GLY 276 N 1.25 3.05 3.50 7.39 0.00 -1.26 -5.05 105.19 114.08 3gi3 n GLY 276 Ca 0.05 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 3gi3 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gi3 n ALA 277 N 0.00 -1.96 -1.69 4.61 0.00 -1.00 -4.88 120.51 115.60 3gi3 n ALA 277 Ca 0.00 -0.57 -0.44 0.00 0.00 0.00 0.00 53.44 52.42 3gi3 n ALA 277 Cb 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 19.45 17.48 3gi3 n ALA 277 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gi3 n ASN 278 N -2.20 3.39 0.24 0.00 2.85 -1.26 -4.86 115.26 113.43 3gi3 n ASN 278 Ca 0.09 1.08 0.11 0.00 -0.11 0.00 0.00 54.58 55.75 3gi3 n ASN 278 Cb 0.53 -1.48 0.71 0.00 1.24 0.00 0.00 39.78 40.78 3gi3 n ASN 278 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3gi3 h PRO 279 N 6.00 0.00 -0.40 1.20 0.13 -1.97 0.50 132.00 137.47 3gi3 h PRO 279 Ca -0.44 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.58 3gi3 h PRO 279 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3gi3 h PRO 279 CO 0.90 0.00 -0.20 -0.07 -0.23 0.00 0.00 178.00 178.40 3gi3 h LEU 280 N 0.00 0.78 -0.26 1.56 3.38 -1.99 -1.84 115.31 116.94 3gi3 h LEU 280 Ca 0.03 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3gi3 h LEU 280 Cb 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3gi3 h LEU 280 CO -0.00 0.97 0.05 0.00 0.09 0.00 0.00 178.44 179.55 3gi3 h ALA 281 N 1.09 0.34 0.00 1.53 0.00 -1.28 -1.97 119.26 118.97 3gi3 h ALA 281 Ca 0.10 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3gi3 h ALA 281 Cb 0.70 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3gi3 h ALA 281 CO 0.05 0.00 -0.27 -0.39 0.00 0.00 0.00 179.25 178.65 3gi3 h VAL 282 N 0.24 0.78 -0.29 0.00 -1.51 -1.27 -1.85 116.25 112.35 3gi3 h VAL 282 Ca 0.08 -1.11 -0.11 0.00 -1.23 0.00 0.00 66.70 64.33 3gi3 h VAL 282 Cb 0.30 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 3gi3 h VAL 282 CO 0.00 0.26 -0.26 -0.78 -1.23 0.00 0.00 177.57 175.56 3gi3 h ASP 283 N 0.00 0.74 -0.42 4.19 3.58 -1.05 -1.84 116.42 121.61 3gi3 h ASP 283 Ca -0.00 -0.46 -0.08 0.00 0.42 0.00 0.00 57.03 56.90 3gi3 h ASP 283 Cb 0.66 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 3gi3 h ASP 283 CO 0.03 1.05 -0.03 0.25 -2.88 0.00 0.00 179.24 177.66 3gi3 h LEU 284 N 0.45 0.82 -1.10 2.28 5.85 -1.04 -2.51 115.31 120.05 3gi3 h LEU 284 Ca 0.05 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 3gi3 h LEU 284 Cb 0.83 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3gi3 h LEU 284 CO 0.07 0.90 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.95 3gi3 h LEU 285 N 0.78 0.55 -0.71 2.25 3.38 -1.25 -0.64 115.31 119.67 3gi3 h LEU 285 Ca 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3gi3 h LEU 285 Cb 0.52 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3gi3 h LEU 285 CO 0.03 0.66 0.00 -0.33 0.09 0.00 0.00 178.44 178.88 3gi3 h GLU 286 N 0.54 0.00 0.00 1.13 5.08 -0.92 0.37 114.58 120.79 3gi3 h GLU 286 Ca 0.11 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3gi3 h GLU 286 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3gi3 h GLU 286 CO 0.02 0.00 -1.42 1.63 -1.00 0.00 0.00 179.01 178.24 3gi3 n LYS 287 N -2.45 0.63 -0.07 2.33 5.02 -0.37 -4.36 118.16 118.89 3gi3 n LYS 287 Ca 0.02 0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.13 3gi3 n LYS 287 Cb 0.29 -1.72 -0.12 0.00 -0.02 0.00 0.00 35.03 33.45 3gi3 n LYS 287 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3gi3 n MET 288 N -2.60 0.66 -1.84 1.97 2.81 -0.50 -2.07 117.12 115.55 3gi3 n MET 288 Ca -0.04 0.37 -0.41 0.00 -1.81 0.00 0.00 57.70 55.80 3gi3 n MET 288 Cb 0.63 -1.68 -0.01 0.00 -0.71 0.00 0.00 33.22 31.46 3gi3 n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3gi3 n LEU 289 N -3.90 7.45 -4.36 4.03 4.77 0.09 -4.42 117.00 120.66 3gi3 n LEU 289 Ca -0.36 -4.46 -0.33 0.00 -0.03 0.00 0.00 56.01 50.83 3gi3 n LEU 289 Cb 0.89 -1.54 -0.14 0.00 -2.33 0.00 0.00 43.42 40.30 3gi3 n LEU 289 CO 0.28 1.57 -0.45 -0.69 -1.33 0.00 0.00 177.39 176.76 3gi3 s VAL 290 N 1.45 3.00 0.13 4.08 1.01 -1.26 -4.87 120.40 123.95 3gi3 s VAL 290 Ca 0.51 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.62 3gi3 s VAL 290 Cb 0.14 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 3gi3 s VAL 290 CO -0.06 0.53 1.70 0.25 0.00 0.00 0.00 175.10 177.52 3gi3 h LEU 291 N 6.70 -0.21 -8.73 3.92 5.85 -1.90 -3.39 115.31 117.55 3gi3 h LEU 291 Ca -0.25 0.07 -0.56 0.00 0.84 0.00 0.00 57.88 57.98 3gi3 h LEU 291 Cb 1.21 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 3gi3 h LEU 291 CO 0.55 -0.07 1.10 -0.62 -0.34 0.00 0.00 178.44 179.06 3gi3 s ASP 292 N -5.21 6.22 0.57 1.25 -1.08 -1.26 -4.88 116.67 112.27 3gi3 s ASP 292 Ca -0.13 0.71 0.26 0.00 -0.52 0.00 0.00 52.55 52.86 3gi3 s ASP 292 Cb 0.11 -2.54 1.62 0.00 -1.46 0.00 0.00 42.92 40.65 3gi3 s ASP 292 CO 0.69 -1.55 2.17 0.77 0.52 0.00 0.00 175.17 177.77 3gi3 h SER 293 N 11.09 0.00 0.79 -0.34 4.64 -1.99 -0.19 113.55 127.56 3gi3 h SER 293 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3gi3 h SER 293 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3gi3 h SER 293 CO 1.11 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 177.51 3gi3 h ASP 294 N 0.00 0.00 -0.02 4.97 3.45 -1.94 -2.92 116.42 119.96 3gi3 h ASP 294 Ca 0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.50 3gi3 h ASP 294 Cb 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 3gi3 h ASP 294 CO -0.00 0.00 -0.11 0.29 -1.57 0.00 0.00 179.24 177.85 3gi3 n LYS 295 N -2.46 1.54 -2.41 3.56 4.76 -0.09 -4.99 118.16 118.08 3gi3 n LYS 295 Ca 0.02 -1.35 -0.37 0.00 -2.87 0.00 0.00 58.31 53.74 3gi3 n LYS 295 Cb 0.25 -1.33 -0.03 0.00 -1.84 0.00 0.00 35.03 32.07 3gi3 n LYS 295 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3gi3 s ARG 296 N -1.66 4.01 0.52 1.97 0.52 -1.11 -5.00 118.95 118.20 3gi3 s ARG 296 Ca 0.19 1.65 -0.20 0.00 -0.52 0.00 0.00 55.73 56.85 3gi3 s ARG 296 Cb 0.15 -2.51 -0.06 0.00 0.52 0.00 0.00 34.95 33.04 3gi3 s ARG 296 CO 0.29 -0.31 1.13 -1.50 0.02 0.00 0.00 175.30 174.93 3gi3 s ILE 297 N -1.58 3.20 0.53 1.52 2.07 -0.88 -5.02 121.20 121.04 3gi3 s ILE 297 Ca 0.60 0.78 0.01 0.00 -1.41 0.00 0.00 60.65 60.63 3gi3 s ILE 297 Cb -0.26 -3.34 0.02 0.00 0.13 0.00 0.00 42.46 39.02 3gi3 s ILE 297 CO 0.32 -0.13 0.75 0.42 -1.91 0.00 0.00 174.94 174.39 3gi3 s THR 298 N -1.73 3.00 0.12 4.00 -4.23 -1.26 -4.88 115.64 110.66 3gi3 s THR 298 Ca 0.70 -0.61 -0.20 0.00 -1.18 0.00 0.00 61.69 60.40 3gi3 s THR 298 Cb -0.24 -3.12 -0.05 0.00 1.34 0.00 0.00 72.50 70.43 3gi3 s THR 298 CO 0.28 -0.09 1.71 0.00 -0.54 0.00 0.00 174.62 175.98 3gi3 h ALA 299 N 0.14 0.12 -0.17 3.99 0.00 -1.94 0.27 119.26 121.67 3gi3 h ALA 299 Ca -0.43 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3gi3 h ALA 299 Cb 1.29 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 3gi3 h ALA 299 CO 0.54 -0.47 -0.04 0.00 0.00 0.00 0.00 179.25 179.27 3gi3 h ALA 300 N 1.17 0.11 -0.31 0.00 0.00 -1.94 0.39 119.26 118.68 3gi3 h ALA 300 Ca 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3gi3 h ALA 300 Cb 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3gi3 h ALA 300 CO -0.17 -0.48 0.11 1.96 0.00 0.00 0.00 179.25 180.67 3gi3 h GLN 301 N 0.00 0.47 -0.68 0.00 4.20 -1.86 -2.97 115.11 114.27 3gi3 h GLN 301 Ca 0.08 -0.09 0.09 0.00 0.06 0.00 0.00 58.65 58.79 3gi3 h GLN 301 Cb 0.12 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.76 3gi3 h GLN 301 CO -0.17 0.49 0.32 0.00 -0.67 0.00 0.00 178.83 178.80 3gi3 h ALA 302 N 0.95 0.93 -0.36 3.87 0.00 -0.06 -0.02 119.26 124.57 3gi3 h ALA 302 Ca 0.10 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.18 3gi3 h ALA 302 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3gi3 h ALA 302 CO -0.01 -0.09 0.29 -0.07 0.00 0.00 0.00 179.25 179.37 3gi3 h LEU 303 N 0.55 0.00 -0.76 0.00 3.38 -0.76 0.11 115.31 117.82 3gi3 h LEU 303 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3gi3 h LEU 303 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3gi3 h LEU 303 CO -0.28 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 178.25 3gi3 n ALA 304 N -2.54 2.60 -1.77 1.53 0.00 -0.03 -4.68 120.51 115.63 3gi3 n ALA 304 Ca 0.06 -0.39 -0.39 0.00 0.00 0.00 0.00 53.44 52.71 3gi3 n ALA 304 Cb 0.46 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 3gi3 n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3gi3 s HIS 305 N -2.00 2.78 0.62 0.00 5.04 0.38 -4.89 115.29 117.22 3gi3 s HIS 305 Ca 0.40 1.43 0.32 0.00 -1.54 0.00 0.00 55.06 55.67 3gi3 s HIS 305 Cb 0.21 -3.63 1.82 0.00 0.04 0.00 0.00 32.58 31.02 3gi3 s HIS 305 CO 0.34 -2.06 2.12 0.00 -2.34 0.00 0.00 174.74 172.81 3gi3 h ALA 306 N 2.45 1.54 0.00 1.58 0.00 -1.91 0.25 119.26 123.18 3gi3 h ALA 306 Ca -0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 3gi3 h ALA 306 Cb 1.25 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3gi3 h ALA 306 CO 0.62 -0.24 -0.01 -0.92 0.00 0.00 0.00 179.25 178.70 3gi3 h TYR 307 N 0.00 0.00 -0.27 0.00 3.20 -1.90 -1.56 116.97 116.45 3gi3 h TYR 307 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3gi3 h TYR 307 Cb 0.42 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.69 3gi3 h TYR 307 CO 0.00 0.01 0.00 1.19 -1.64 0.00 0.00 178.16 177.72 3gi3 n PHE 308 N -3.39 0.72 -0.34 -3.82 3.01 0.08 -4.71 117.46 109.00 3gi3 n PHE 308 Ca -0.03 -0.75 0.22 0.00 1.01 0.00 0.00 57.45 57.90 3gi3 n PHE 308 Cb 0.09 -0.21 0.45 0.00 -0.01 0.00 0.00 39.48 39.80 3gi3 n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gi3 h ALA 309 N 1.74 1.91 0.00 4.37 0.00 -1.32 0.12 119.26 126.06 3gi3 h ALA 309 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3gi3 h ALA 309 Cb 1.17 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3gi3 h ALA 309 CO 0.14 -0.48 -0.07 0.37 0.00 0.00 0.00 179.25 179.21 3gi3 h GLN 310 N 0.41 0.00 0.00 0.00 4.15 -1.84 -3.31 115.11 114.52 3gi3 h GLN 310 Ca 0.71 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.13 3gi3 h GLN 310 Cb 1.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.23 3gi3 h GLN 310 CO -0.57 0.07 -0.96 0.66 -1.93 0.00 0.00 178.83 176.10 3gi3 n TYR 311 N -3.40 0.00 -1.64 3.99 4.02 0.18 -5.05 117.16 115.27 3gi3 n TYR 311 Ca -0.02 0.00 -0.47 0.00 -0.01 0.00 0.00 57.90 57.40 3gi3 n TYR 311 Cb 0.22 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.50 3gi3 n TYR 311 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 3gi3 n HIS 312 N -1.59 1.93 -3.39 -0.72 -0.00 0.05 -4.98 115.22 106.51 3gi3 n HIS 312 Ca 0.00 0.46 -0.14 0.00 0.46 0.00 0.00 57.72 58.51 3gi3 n HIS 312 Cb 0.14 -2.43 -0.09 0.00 -0.12 0.00 0.00 29.99 27.49 3gi3 n HIS 312 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3gi3 s ASP 313 N 0.46 0.95 0.52 0.26 -1.08 -1.26 -4.99 116.67 111.53 3gi3 s ASP 313 Ca 0.75 -0.24 0.33 0.00 -0.52 0.00 0.00 52.55 52.87 3gi3 s ASP 313 Cb -0.75 0.76 1.80 0.00 -1.46 0.00 0.00 42.92 43.27 3gi3 s ASP 313 CO 0.46 -0.34 2.00 -0.65 0.52 0.00 0.00 175.17 177.17 3gi3 h PRO 314 N 8.23 0.00 -0.25 4.34 0.11 -1.98 -2.03 132.00 140.43 3gi3 h PRO 314 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3gi3 h PRO 314 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3gi3 h PRO 314 CO 0.29 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.83 3gi3 n ASP 315 N -2.70 3.24 -2.67 -2.05 9.92 -1.26 -4.38 116.55 116.65 3gi3 n ASP 315 Ca -0.02 -1.97 -0.09 0.00 -0.53 0.00 0.00 54.79 52.18 3gi3 n ASP 315 Cb 0.11 -0.15 0.03 0.00 -0.64 0.00 0.00 41.12 40.47 3gi3 n ASP 315 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3gi3 n ASP 316 N 1.40 1.83 -3.19 -2.24 2.03 -0.77 -4.87 116.55 110.75 3gi3 n ASP 316 Ca 0.17 -2.65 -0.19 0.00 0.52 0.00 0.00 54.79 52.65 3gi3 n ASP 316 Cb 0.59 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 3gi3 n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3gi3 n GLU 317 N -0.25 0.94 -1.25 -0.67 1.02 -1.24 -4.88 120.64 114.32 3gi3 n GLU 317 Ca 0.12 -3.35 -0.36 0.00 -0.02 0.00 0.00 57.16 53.55 3gi3 n GLU 317 Cb 0.81 -1.65 0.08 0.00 -0.02 0.00 0.00 31.44 30.66 3gi3 n GLU 317 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3gi3 n PRO 318 N 0.40 0.32 -3.97 3.49 -0.04 -1.26 -4.97 135.00 128.97 3gi3 n PRO 318 Ca 0.24 0.16 -0.26 0.00 -0.04 0.00 0.00 63.50 63.61 3gi3 n PRO 318 Cb 0.65 -2.01 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 3gi3 n PRO 318 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gi3 s VAL 319 N -1.93 1.90 0.21 0.52 -7.23 -1.26 -4.25 120.40 108.36 3gi3 s VAL 319 Ca 0.68 -1.56 0.05 0.00 -1.81 0.00 0.00 61.98 59.34 3gi3 s VAL 319 Cb -0.33 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 3gi3 s VAL 319 CO 0.55 0.00 0.22 0.00 -0.31 0.00 0.00 175.10 175.57 3gi3 s ALA 320 N -2.70 3.70 0.56 1.32 0.00 -1.26 -5.03 121.76 118.36 3gi3 s ALA 320 Ca 0.35 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 50.84 3gi3 s ALA 320 Cb -0.01 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 3gi3 s ALA 320 CO 0.21 0.36 1.21 -0.51 0.00 0.00 0.00 175.76 177.03 3gi3 s ASP 321 N -3.56 5.39 0.07 0.00 -0.00 -1.26 -4.82 116.67 112.48 3gi3 s ASP 321 Ca 0.33 2.39 -0.37 0.00 -0.00 0.00 0.00 52.55 54.90 3gi3 s ASP 321 Cb -0.09 -2.60 -0.17 0.00 -0.00 0.00 0.00 42.92 40.06 3gi3 s ASP 321 CO 0.26 -1.46 1.32 -0.81 -0.00 0.00 0.00 175.17 174.48 3gi3 n PRO 322 N -1.35 1.03 -3.80 8.23 -0.04 -1.26 -4.90 135.00 132.90 3gi3 n PRO 322 Ca 0.12 0.37 -0.36 0.00 -0.04 0.00 0.00 63.50 63.59 3gi3 n PRO 322 Cb 0.49 -2.00 -0.11 0.00 -0.04 0.00 0.00 33.50 31.84 3gi3 n PRO 322 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3gi3 s TYR 323 N 0.48 3.19 -0.54 0.54 5.04 -1.26 -5.06 117.35 119.73 3gi3 s TYR 323 Ca 0.85 -0.08 -0.23 0.00 -2.44 0.00 0.00 57.07 55.17 3gi3 s TYR 323 Cb -0.99 -2.21 0.05 0.00 0.35 0.00 0.00 41.96 39.15 3gi3 s TYR 323 CO 0.48 -0.10 0.85 0.34 -1.34 0.00 0.00 175.55 175.78 3gi3 s ASP 324 N 1.16 6.30 -0.25 4.32 2.15 -1.26 -4.86 116.67 124.23 3gi3 s ASP 324 Ca 0.05 -0.55 0.12 0.00 0.43 0.00 0.00 52.55 52.60 3gi3 s ASP 324 Cb -0.14 -2.39 0.46 0.00 -0.30 0.00 0.00 42.92 40.55 3gi3 s ASP 324 CO 0.04 -1.14 1.18 0.00 -0.17 0.00 0.00 175.17 175.08 3gi3 n GLN 325 N 7.09 2.71 0.18 4.34 10.64 -1.26 -4.74 117.38 136.34 3gi3 n GLN 325 Ca -0.01 -3.77 0.13 0.00 -1.83 0.00 0.00 57.00 51.52 3gi3 n GLN 325 Cb 0.47 -1.91 0.62 0.00 -0.86 0.00 0.00 30.24 28.56 3gi3 n GLN 325 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3gi3 h SER 326 N 1.97 0.00 0.38 2.61 4.64 -2.00 -2.11 113.55 119.04 3gi3 h SER 326 Ca 0.18 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.45 3gi3 h SER 326 Cb 1.41 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.49 3gi3 h SER 326 CO 0.48 0.00 -0.24 2.19 -0.87 0.00 0.00 176.83 178.39 3gi3 h PHE 327 N 0.00 0.00 -0.93 4.77 -5.15 -1.98 -3.03 116.94 110.62 3gi3 h PHE 327 Ca 0.00 0.00 0.13 0.00 -0.20 0.00 0.00 57.97 57.90 3gi3 h PHE 327 Cb 0.21 0.00 -0.09 0.00 0.22 0.00 0.00 35.95 36.30 3gi3 h PHE 327 CO 0.00 0.24 0.55 0.93 -2.00 0.00 0.00 178.31 178.03 3gi3 h GLU 328 N 0.00 0.80 -1.61 6.09 4.39 -1.78 -1.24 114.58 121.24 3gi3 h GLU 328 Ca -0.00 -0.05 -0.37 0.00 0.34 0.00 0.00 59.36 59.27 3gi3 h GLU 328 Cb 0.50 -0.18 -0.15 0.00 -0.10 0.00 0.00 28.75 28.81 3gi3 h GLU 328 CO 0.03 0.53 0.42 -1.13 -1.16 0.00 0.00 179.01 177.70 3gi3 n SER 329 N -4.73 6.51 -4.13 1.42 3.41 -1.14 -4.87 113.62 110.09 3gi3 n SER 329 Ca 0.18 -3.12 -0.23 0.00 -0.26 0.00 0.00 58.87 55.45 3gi3 n SER 329 Cb 0.39 -1.10 -0.15 0.00 -0.26 0.00 0.00 64.21 63.10 3gi3 n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3gi3 s ARG 330 N -1.84 1.18 -0.28 4.33 1.81 -0.47 -5.10 118.95 118.57 3gi3 s ARG 330 Ca 0.39 -0.57 0.02 0.00 -1.72 0.00 0.00 55.73 53.84 3gi3 s ARG 330 Cb 0.29 -1.15 0.06 0.00 -0.45 0.00 0.00 34.95 33.70 3gi3 s ARG 330 CO -0.05 0.31 -0.06 -0.51 -0.68 0.00 0.00 175.30 174.31 3gi3 s ASP 331 N -0.48 4.59 0.25 0.23 1.11 -1.26 -5.08 116.67 116.03 3gi3 s ASP 331 Ca 0.05 -1.46 0.04 0.00 0.18 0.00 0.00 52.55 51.36 3gi3 s ASP 331 Cb -0.06 -1.60 -0.05 0.00 1.07 0.00 0.00 42.92 42.28 3gi3 s ASP 331 CO -0.00 -0.23 -0.00 -0.76 1.18 0.00 0.00 175.17 175.35 3gi3 s LEU 332 N 1.11 2.22 0.57 1.23 1.43 -1.26 -5.15 118.68 118.83 3gi3 s LEU 332 Ca -0.06 -1.23 -0.15 0.00 -1.03 0.00 0.00 54.13 51.66 3gi3 s LEU 332 Cb -0.20 -0.33 -0.05 0.00 0.03 0.00 0.00 46.19 45.64 3gi3 s LEU 332 CO -0.04 -0.50 1.02 -0.76 0.23 0.00 0.00 176.35 176.30 3gi3 s LEU 333 N -3.34 3.50 0.19 1.79 2.01 -1.26 -4.88 118.68 116.69 3gi3 s LEU 333 Ca 0.29 1.64 -0.17 0.00 0.01 0.00 0.00 54.13 55.90 3gi3 s LEU 333 Cb 0.06 -4.51 0.16 0.00 0.01 0.00 0.00 46.19 41.90 3gi3 s LEU 333 CO 0.10 -0.88 1.62 0.40 1.01 0.00 0.00 176.35 178.59 3gi3 h ILE 334 N 0.49 0.33 -0.15 -0.59 2.04 -1.93 0.55 117.51 118.25 3gi3 h ILE 334 Ca -0.46 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.44 3gi3 h ILE 334 Cb 1.20 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3gi3 h ILE 334 CO 0.60 0.00 0.15 0.44 0.00 0.00 0.00 178.15 179.34 3gi3 h ASP 335 N -0.09 0.00 0.00 1.72 3.45 -1.96 0.20 116.42 119.74 3gi3 h ASP 335 Ca 0.25 0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.52 3gi3 h ASP 335 Cb 0.48 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.26 3gi3 h ASP 335 CO -0.60 0.00 -0.74 -0.33 -1.57 0.00 0.00 179.24 176.00 3gi3 h GLU 336 N 0.00 0.49 -0.62 3.56 5.08 -1.27 -1.85 114.58 119.97 3gi3 h GLU 336 Ca 0.07 -0.54 -0.06 0.00 -1.00 0.00 0.00 59.36 57.83 3gi3 h GLU 336 Cb 0.37 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3gi3 h GLU 336 CO -0.00 1.17 0.14 -1.49 -1.00 0.00 0.00 179.01 177.83 3gi3 h TRP 337 N 0.04 1.02 -0.60 4.33 -0.00 -0.60 -1.62 115.95 118.52 3gi3 h TRP 337 Ca -0.09 -0.11 -0.07 0.00 -0.00 0.00 0.00 58.89 58.61 3gi3 h TRP 337 Cb 1.44 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 30.28 3gi3 h TRP 337 CO 0.14 0.85 0.11 -0.22 -0.00 0.00 0.00 178.44 179.32 3gi3 h LYS 338 N 0.93 0.99 -0.34 0.49 3.64 -0.67 -0.79 116.57 120.83 3gi3 h LYS 338 Ca 0.20 -0.26 -0.15 0.00 -1.27 0.00 0.00 60.65 59.17 3gi3 h LYS 338 Cb 0.35 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3gi3 h LYS 338 CO 0.00 0.92 -0.37 1.03 -2.27 0.00 0.00 179.45 178.77 3gi3 h SER 339 N 0.90 0.92 -0.84 4.20 0.87 -1.07 -0.29 113.55 118.23 3gi3 h SER 339 Ca 0.19 -0.47 -0.03 0.00 -1.23 0.00 0.00 61.79 60.24 3gi3 h SER 339 Cb 0.40 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 3gi3 h SER 339 CO 0.01 1.20 0.39 -0.07 -0.53 0.00 0.00 176.83 177.83 3gi3 h LEU 340 N 0.65 1.12 -0.41 2.23 3.38 -1.15 -0.03 115.31 121.08 3gi3 h LEU 340 Ca 0.05 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3gi3 h LEU 340 Cb 0.96 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3gi3 h LEU 340 CO 0.09 0.95 -0.02 0.74 0.09 0.00 0.00 178.44 180.29 3gi3 h THR 341 N 1.21 1.26 -0.52 0.22 2.02 -1.01 -2.46 112.91 113.63 3gi3 h THR 341 Ca 0.29 -1.05 0.03 0.00 0.77 0.00 0.00 66.41 66.45 3gi3 h THR 341 Cb 0.14 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 3gi3 h THR 341 CO -0.03 0.36 0.30 0.22 0.37 0.00 0.00 175.52 176.73 3gi3 h TYR 342 N 0.57 0.56 -0.74 3.16 3.20 -0.52 -1.63 116.97 121.57 3gi3 h TYR 342 Ca 0.12 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.12 3gi3 h TYR 342 Cb 0.51 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.52 3gi3 h TYR 342 CO 0.04 0.31 0.35 -0.44 -1.64 0.00 0.00 178.16 176.78 3gi3 h ASP 343 N 0.59 0.42 0.03 -2.11 3.45 -0.78 -1.32 116.42 116.71 3gi3 h ASP 343 Ca 0.22 0.08 -0.06 0.00 0.43 0.00 0.00 57.03 57.69 3gi3 h ASP 343 Cb 0.06 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 3gi3 h ASP 343 CO -0.11 0.21 -0.18 -0.33 -1.57 0.00 0.00 179.24 177.26 3gi3 h GLU 344 N 0.56 0.28 0.05 3.56 4.39 -0.86 -1.01 114.58 121.55 3gi3 h GLU 344 Ca 0.38 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 3gi3 h GLU 344 Cb 0.48 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3gi3 h GLU 344 CO -0.32 0.47 -0.02 0.28 -1.16 0.00 0.00 179.01 178.25 3gi3 h VAL 345 N 0.26 1.21 0.00 3.13 2.07 -0.43 -3.04 116.25 119.46 3gi3 h VAL 345 Ca 0.05 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 3gi3 h VAL 345 Cb 0.48 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3gi3 h VAL 345 CO 0.03 0.22 -0.27 0.16 0.02 0.00 0.00 177.57 177.73 3gi3 h ILE 346 N -0.46 0.65 -0.14 4.57 3.07 -1.34 -2.90 117.51 120.95 3gi3 h ILE 346 Ca -0.01 -1.26 0.00 0.00 1.55 0.00 0.00 64.86 65.15 3gi3 h ILE 346 Cb 0.42 1.83 0.00 0.00 -0.27 0.00 0.00 36.82 38.80 3gi3 h ILE 346 CO 0.01 0.26 0.00 -1.54 -1.05 0.00 0.00 178.15 175.84 3gi3 n SER 347 N -3.42 1.12 -4.72 2.16 3.41 -0.39 -4.89 113.62 106.89 3gi3 n SER 347 Ca 0.00 -1.73 -0.42 0.00 -0.26 0.00 0.00 58.87 56.47 3gi3 n SER 347 Cb 0.46 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3gi3 n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3gi3 s PHE 348 N -1.81 3.59 -0.18 7.33 5.36 -1.10 -5.02 117.98 126.15 3gi3 s PHE 348 Ca 0.26 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.79 3gi3 s PHE 348 Cb 0.13 -3.25 0.04 0.00 -0.34 0.00 0.00 43.02 39.60 3gi3 s PHE 348 CO 0.20 -0.55 -0.08 0.54 -1.46 0.00 0.00 175.22 173.87 3gi3 s VAL 349 N 0.58 1.40 0.61 3.12 0.11 -1.26 -5.06 120.40 119.90 3gi3 s VAL 349 Ca 0.53 -0.81 -0.19 0.00 -2.93 0.00 0.00 61.98 58.58 3gi3 s VAL 349 Cb -0.26 -1.50 -0.02 0.00 -1.53 0.00 0.00 36.38 33.06 3gi3 s VAL 349 CO 0.30 0.17 1.31 -2.16 -3.33 0.00 0.00 175.10 171.39 3gi3 s PRO 350 N 1.51 2.76 0.87 1.54 0.04 -1.26 -5.01 135.00 135.45 3gi3 s PRO 350 Ca 0.00 2.10 -0.12 0.00 0.04 0.00 0.00 61.00 63.02 3gi3 s PRO 350 Cb -0.16 -1.98 0.12 0.00 0.04 0.00 0.00 34.50 32.53 3gi3 s PRO 350 CO -0.08 -1.44 1.13 -1.25 0.04 0.00 0.00 177.00 175.40 3gi3 s PRO 351 N -3.23 1.44 0.00 0.56 0.04 -1.26 -5.18 135.00 127.37 3gi3 s PRO 351 Ca 0.79 0.34 0.06 0.00 0.04 0.00 0.00 61.00 62.23 3gi3 s PRO 351 Cb -0.38 -1.87 0.36 0.00 0.04 0.00 0.00 34.50 32.65 3gi3 s PRO 351 CO 0.42 -2.00 0.83 -2.30 0.04 0.00 0.00 177.00 173.98