#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3i s ASN 3 N 0.00 6.43 0.21 4.04 0.01 -1.26 -4.96 114.94 119.42 3g3i s ASN 3 Ca 0.00 2.12 -0.32 0.00 -0.71 0.00 0.00 52.86 53.95 3g3i s ASN 3 Cb 0.00 -2.59 -0.14 0.00 0.41 0.00 0.00 41.25 38.94 3g3i s ASN 3 CO 0.00 -0.73 1.43 -1.14 -1.51 0.00 0.00 177.10 175.15 3g3i n ARG 4 N -0.42 1.98 -2.17 -0.60 0.63 -1.26 -4.89 116.66 109.92 3g3i n ARG 4 Ca 0.07 0.71 -0.41 0.00 -0.92 0.00 0.00 57.85 57.30 3g3i n ARG 4 Cb 0.50 -2.38 -0.02 0.00 0.45 0.00 0.00 32.46 31.00 3g3i n ARG 4 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3g3i s SER 5 N 0.40 6.85 0.26 6.15 0.01 -1.26 -4.78 113.70 121.33 3g3i s SER 5 Ca 0.71 2.61 -0.30 0.00 1.31 0.00 0.00 55.95 60.28 3g3i s SER 5 Cb -0.68 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 62.82 3g3i s SER 5 CO 0.47 -0.48 1.12 -0.76 0.41 0.00 0.00 173.24 174.00 3g3i s LEU 6 N -1.56 4.52 -0.22 2.44 1.43 0.06 -4.79 118.68 120.56 3g3i s LEU 6 Ca 0.49 2.26 -0.21 0.00 -1.03 0.00 0.00 54.13 55.65 3g3i s LEU 6 Cb -0.38 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.19 3g3i s LEU 6 CO 0.50 -0.20 0.64 -0.63 0.23 0.00 0.00 176.35 176.89 3g3i s ILE 7 N -0.89 4.99 -0.32 -0.59 -1.09 -1.26 -0.80 121.20 121.25 3g3i s ILE 7 Ca 0.46 1.19 -0.06 0.00 -2.23 0.00 0.00 60.65 60.01 3g3i s ILE 7 Cb -0.32 -3.95 0.03 0.00 -1.58 0.00 0.00 42.46 36.64 3g3i s ILE 7 CO 0.40 0.06 0.08 -0.69 -1.23 0.00 0.00 174.94 173.57 3g3i s VAL 8 N 2.22 3.69 0.23 2.92 1.01 -0.30 -0.40 120.40 129.76 3g3i s VAL 8 Ca 0.28 -1.07 -0.20 0.00 0.00 0.00 0.00 61.98 60.99 3g3i s VAL 8 Cb -0.16 -3.04 -0.08 0.00 0.00 0.00 0.00 36.38 33.10 3g3i s VAL 8 CO 0.09 -0.10 0.74 0.28 0.00 0.00 0.00 175.10 176.12 3g3i s THR 9 N 1.40 4.53 0.24 3.92 -1.32 0.19 -0.71 115.64 123.89 3g3i s THR 9 Ca -0.01 1.34 -0.06 0.00 -1.21 0.00 0.00 61.69 61.75 3g3i s THR 9 Cb -0.19 -3.88 0.02 0.00 -1.51 0.00 0.00 72.50 66.94 3g3i s THR 9 CO 0.02 0.22 0.42 1.07 -2.21 0.00 0.00 174.62 174.14 3g3i n THR 10 N 0.76 0.00 -3.78 5.08 5.66 -1.01 -2.02 114.28 118.97 3g3i n THR 10 Ca -0.02 -0.83 -0.13 0.00 -3.05 0.00 0.00 64.05 60.02 3g3i n THR 10 Cb 0.51 0.65 -0.09 0.00 -1.55 0.00 0.00 70.33 69.85 3g3i n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3g3i s ILE 11 N -2.53 0.05 -0.03 1.09 2.07 -1.26 -0.56 121.20 120.03 3g3i s ILE 11 Ca 0.13 -0.42 -0.30 0.00 -1.41 0.00 0.00 60.65 58.65 3g3i s ILE 11 Cb -0.02 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 41.99 3g3i s ILE 11 CO 0.10 -0.23 1.25 -0.76 -1.91 0.00 0.00 174.94 173.39 3g3i s LEU 12 N -1.04 4.30 -0.30 8.50 1.43 -1.26 -4.58 118.68 125.72 3g3i s LEU 12 Ca -0.11 1.91 -0.06 0.00 -1.03 0.00 0.00 54.13 54.83 3g3i s LEU 12 Cb -0.05 -3.56 0.18 0.00 0.03 0.00 0.00 46.19 42.79 3g3i s LEU 12 CO 0.03 -0.61 0.78 -0.70 0.23 0.00 0.00 176.35 176.08 3g3i s GLU 13 N 2.16 0.42 0.29 1.70 2.56 -0.15 -4.98 118.70 120.71 3g3i s GLU 13 Ca 0.58 0.77 -0.29 0.00 0.00 0.00 0.00 54.97 56.03 3g3i s GLU 13 Cb -0.27 0.43 -0.10 0.00 2.00 0.00 0.00 34.13 36.20 3g3i s GLU 13 CO 0.24 -0.44 1.15 -2.00 -0.56 0.00 0.00 175.26 173.64 3g3i s GLU 14 N 2.88 4.58 -0.32 4.30 2.12 -1.25 -0.81 118.70 130.20 3g3i s GLU 14 Ca 0.12 1.89 0.10 0.00 0.36 0.00 0.00 54.97 57.44 3g3i s GLU 14 Cb -0.13 -3.17 0.73 0.00 0.26 0.00 0.00 34.13 31.82 3g3i s GLU 14 CO -0.17 0.12 1.78 -0.35 -0.54 0.00 0.00 175.26 176.10 3g3i n PRO 15 N 1.16 3.61 -0.02 4.30 -0.04 -1.26 -4.91 135.00 137.85 3g3i n PRO 15 Ca -0.01 -3.09 -0.16 0.00 -0.04 0.00 0.00 63.50 60.20 3g3i n PRO 15 Cb 0.44 -2.19 -0.12 0.00 -0.04 0.00 0.00 33.50 31.59 3g3i n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3g3i h TYR 16 N 2.55 0.30 -3.04 0.54 0.05 -1.31 -0.93 116.97 115.13 3g3i h TYR 16 Ca 0.25 -0.18 -0.24 0.00 0.05 0.00 0.00 58.73 58.61 3g3i h TYR 16 Cb 2.27 -0.03 -0.33 0.00 1.01 0.00 0.00 36.73 39.66 3g3i h TYR 16 CO 1.25 1.05 -0.57 0.08 -1.05 0.00 0.00 178.16 178.92 3g3i s VAL 17 N -2.81 -0.22 0.06 -2.88 1.01 -0.27 -0.90 120.40 114.40 3g3i s VAL 17 Ca -0.16 0.26 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 3g3i s VAL 17 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 3g3i s VAL 17 CO 0.76 0.11 0.05 -0.76 0.00 0.00 0.00 175.10 175.25 3g3i s LEU 18 N 1.89 2.12 0.06 3.92 1.02 0.13 -0.98 118.68 126.85 3g3i s LEU 18 Ca -0.02 -0.86 -0.30 0.00 0.02 0.00 0.00 54.13 52.96 3g3i s LEU 18 Cb -0.12 0.48 -0.05 0.00 0.02 0.00 0.00 46.19 46.53 3g3i s LEU 18 CO -0.07 -0.63 1.07 -0.36 0.02 0.00 0.00 176.35 176.38 3g3i s PHE 19 N -3.82 3.59 0.51 0.29 2.99 -1.26 -0.98 117.98 119.29 3g3i s PHE 19 Ca 0.06 1.55 -0.23 0.00 0.00 0.00 0.00 56.93 58.31 3g3i s PHE 19 Cb 0.06 -3.24 -0.06 0.00 0.00 0.00 0.00 43.02 39.78 3g3i s PHE 19 CO -0.10 -0.52 1.34 0.15 -0.00 0.00 0.00 175.22 176.09 3g3i s LYS 20 N 0.74 3.39 -0.07 0.44 1.02 -0.01 -4.87 119.74 120.37 3g3i s LYS 20 Ca 0.54 2.20 -0.22 0.00 0.02 0.00 0.00 55.97 58.50 3g3i s LYS 20 Cb -0.25 -2.39 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 3g3i s LYS 20 CO 0.30 -0.98 0.66 0.15 -0.92 0.00 0.00 175.35 174.56 3g3i s LYS 21 N -2.74 4.42 -0.06 1.68 1.02 -1.26 -5.00 119.74 117.79 3g3i s LYS 21 Ca 0.67 0.80 -0.28 0.00 0.02 0.00 0.00 55.97 57.18 3g3i s LYS 21 Cb -0.39 -3.44 0.06 0.00 -0.52 0.00 0.00 37.83 33.54 3g3i s LYS 21 CO 0.48 0.09 0.64 0.45 -0.92 0.00 0.00 175.35 176.08 3g3i s SER 22 N 0.74 -0.61 -0.04 2.83 0.15 -1.26 -5.06 113.70 110.45 3g3i s SER 22 Ca 0.35 0.70 -0.22 0.00 0.70 0.00 0.00 55.95 57.49 3g3i s SER 22 Cb -0.17 0.59 -0.31 0.00 -1.71 0.00 0.00 66.02 64.41 3g3i s SER 22 CO 0.17 -0.56 0.90 0.44 1.20 0.00 0.00 173.24 175.39 3g3i h ASP 23 N 3.29 0.48 -4.11 5.45 3.32 -2.07 -3.45 116.42 119.33 3g3i h ASP 23 Ca -0.27 -0.95 -0.48 0.00 0.02 0.00 0.00 57.03 55.34 3g3i h ASP 23 Cb 1.15 -0.16 0.05 0.00 0.22 0.00 0.00 39.33 40.59 3g3i h ASP 23 CO 0.36 1.40 0.39 -1.59 -1.72 0.00 0.00 179.24 178.08 3g3i s LYS 24 N -2.45 3.56 0.52 3.56 -2.85 -1.26 -4.99 119.74 115.84 3g3i s LYS 24 Ca -0.13 1.36 -0.22 0.00 -1.00 0.00 0.00 55.97 55.98 3g3i s LYS 24 Cb 0.01 -2.06 -0.06 0.00 -2.06 0.00 0.00 37.83 33.67 3g3i s LYS 24 CO 0.84 -0.63 1.31 -1.25 0.10 0.00 0.00 175.35 175.72 3g3i s PRO 25 N -3.49 3.32 0.16 1.78 0.04 -1.26 -5.04 135.00 130.51 3g3i s PRO 25 Ca 0.67 2.12 0.07 0.00 0.04 0.00 0.00 61.00 63.90 3g3i s PRO 25 Cb -0.18 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 3g3i s PRO 25 CO 0.26 -1.01 0.00 -0.51 0.04 0.00 0.00 177.00 175.79 3g3i s LEU 26 N -3.36 3.35 0.04 -3.56 1.43 -1.26 -5.13 118.68 110.18 3g3i s LEU 26 Ca 0.69 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.48 3g3i s LEU 26 Cb -0.37 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 3g3i s LEU 26 CO 0.45 0.10 -0.14 -0.31 0.23 0.00 0.00 176.35 176.67 3g3i s TYR 27 N -1.67 1.23 0.00 0.29 1.51 -1.26 -4.79 117.35 112.66 3g3i s TYR 27 Ca 0.27 -0.36 0.00 0.00 -1.01 0.00 0.00 57.07 55.97 3g3i s TYR 27 Cb -0.10 -0.73 0.00 0.00 -0.11 0.00 0.00 41.96 41.02 3g3i s TYR 27 CO 0.19 0.04 0.00 0.41 -1.11 0.00 0.00 175.55 175.07 3g3i n GLY 28 N 1.87 2.90 0.28 0.71 0.00 -1.26 -1.90 105.19 107.78 3g3i n GLY 28 Ca -0.18 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 45.62 3g3i n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3g3i h ASN 29 N 9.60 0.00 0.33 1.61 2.35 -1.93 -2.35 115.58 125.19 3g3i h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3g3i h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3g3i h ASN 29 CO 0.00 0.09 0.00 -0.67 -1.65 0.00 0.00 177.43 175.20 3g3i n ASP 30 N -3.49 0.35 0.26 5.81 2.03 -0.80 -2.23 116.55 118.48 3g3i n ASP 30 Ca -0.02 0.62 0.14 0.00 0.52 0.00 0.00 54.79 56.06 3g3i n ASP 30 Cb 0.22 -0.68 0.64 0.00 -0.72 0.00 0.00 41.12 40.58 3g3i n ASP 30 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3g3i h ARG 31 N 0.00 0.00 -6.49 -0.67 3.08 -1.52 -3.44 114.38 105.33 3g3i h ARG 31 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 3g3i h ARG 31 Cb 0.16 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.07 3g3i h ARG 31 CO 0.00 0.09 -0.72 -0.06 -1.07 0.00 0.00 179.97 178.22 3g3i s PHE 32 N -3.76 2.79 0.21 3.04 0.08 -0.95 -0.83 117.98 118.56 3g3i s PHE 32 Ca 0.00 -0.13 -0.08 0.00 0.12 0.00 0.00 56.93 56.84 3g3i s PHE 32 Cb 0.10 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 41.10 3g3i s PHE 32 CO 0.57 0.45 0.32 -1.83 -0.10 0.00 0.00 175.22 174.63 3g3i s GLU 33 N -2.33 1.34 0.00 0.44 -1.05 -0.15 -4.79 118.70 112.16 3g3i s GLU 33 Ca 0.23 -1.35 0.00 0.00 -0.15 0.00 0.00 54.97 53.70 3g3i s GLU 33 Cb -0.11 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.96 3g3i s GLU 33 CO 0.15 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.26 3g3i n GLY 34 N -0.30 1.67 0.16 -3.83 0.00 -1.26 -0.69 105.19 100.94 3g3i n GLY 34 Ca -0.02 -1.97 -0.05 0.00 0.00 0.00 0.00 46.02 43.99 3g3i n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3g3i h TYR 35 N 0.00 0.01 0.00 1.61 3.20 -0.77 -0.73 116.97 120.28 3g3i h TYR 35 Ca 0.00 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 3g3i h TYR 35 Cb 0.00 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 3g3i h TYR 35 CO 0.00 -0.06 -0.37 0.00 -1.64 0.00 0.00 178.16 176.10 3g3i h ILE 37 N 0.00 1.30 -0.72 0.00 1.08 -1.44 0.10 117.51 117.83 3g3i h ILE 37 Ca -0.00 -1.40 0.01 0.00 -0.39 0.00 0.00 64.86 63.07 3g3i h ILE 37 Cb 0.71 1.54 -0.04 0.00 -3.07 0.00 0.00 36.82 35.96 3g3i h ILE 37 CO 0.05 0.45 0.47 0.44 -0.69 0.00 0.00 178.15 178.87 3g3i h ASP 38 N 0.44 0.81 -0.30 1.72 3.32 -0.90 -1.05 116.42 120.46 3g3i h ASP 38 Ca 0.05 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.09 3g3i h ASP 38 Cb 0.81 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 3g3i h ASP 38 CO 0.06 0.58 0.19 0.25 -1.72 0.00 0.00 179.24 178.60 3g3i h LEU 39 N 0.95 0.32 -0.69 1.55 5.85 -0.86 -1.52 115.31 120.91 3g3i h LEU 39 Ca 0.27 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.04 3g3i h LEU 39 Cb -0.09 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 3g3i h LEU 39 CO -0.07 0.24 0.40 0.25 -0.34 0.00 0.00 178.44 178.91 3g3i h LEU 40 N 0.39 0.59 -0.71 2.25 5.85 -0.71 0.27 115.31 123.24 3g3i h LEU 40 Ca 0.11 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 3g3i h LEU 40 Cb -0.03 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 3g3i h LEU 40 CO -0.03 0.38 0.23 -0.09 -0.34 0.00 0.00 178.44 178.59 3g3i h ARG 41 N 0.73 1.10 -0.43 1.25 2.43 -0.87 -0.55 114.38 118.03 3g3i h ARG 41 Ca 0.31 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3g3i h ARG 41 Cb 0.18 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3g3i h ARG 41 CO -0.18 0.94 0.16 0.93 -1.51 0.00 0.00 179.97 180.31 3g3i h GLU 42 N 1.04 0.66 -0.83 0.20 4.39 -0.59 -2.11 114.58 117.34 3g3i h GLU 42 Ca 0.23 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.81 3g3i h GLU 42 Cb 0.29 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 3g3i h GLU 42 CO -0.01 0.62 0.55 -0.07 -1.16 0.00 0.00 179.01 178.94 3g3i h LEU 43 N 0.56 0.95 -0.49 1.33 3.38 -0.59 -1.49 115.31 118.96 3g3i h LEU 43 Ca 0.14 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3g3i h LEU 43 Cb 0.22 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3g3i h LEU 43 CO -0.01 0.69 0.27 -1.28 0.09 0.00 0.00 178.44 178.20 3g3i h SER 44 N 1.12 0.41 -0.15 -0.43 0.87 -0.86 -0.41 113.55 114.11 3g3i h SER 44 Ca 0.31 0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.70 3g3i h SER 44 Cb -0.12 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3g3i h SER 44 CO -0.07 0.29 -0.61 0.71 -0.53 0.00 0.00 176.83 176.62 3g3i h THR 45 N 0.53 1.32 -0.60 2.23 1.35 -1.16 -0.23 112.91 116.35 3g3i h THR 45 Ca 0.20 -1.85 -0.07 0.00 -0.55 0.00 0.00 66.41 64.14 3g3i h THR 45 Cb 0.07 2.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.49 3g3i h THR 45 CO -0.12 0.58 0.08 0.45 -0.25 0.00 0.00 175.52 176.26 3g3i h HIS 46 N 0.36 1.04 0.00 4.73 -0.00 -1.11 -3.26 115.15 116.90 3g3i h HIS 46 Ca -0.03 -0.14 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 3g3i h HIS 46 Cb 1.24 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 28.36 3g3i h HIS 46 CO 0.10 0.89 -1.52 1.28 -0.00 0.00 0.00 177.93 178.68 3g3i n LEU 47 N -4.22 0.40 -2.14 2.43 4.77 -0.18 -5.02 117.00 113.05 3g3i n LEU 47 Ca 0.04 -0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 55.89 3g3i n LEU 47 Cb 0.29 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3g3i n LEU 47 CO 0.42 0.05 0.05 0.61 -1.33 0.00 0.00 177.39 177.19 3g3i n GLY 48 N 1.33 -0.13 3.14 -0.72 0.00 -0.14 -5.06 105.19 103.61 3g3i n GLY 48 Ca -0.01 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3g3i n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g3i s PHE 49 N -3.10 0.83 0.37 1.61 -0.12 -0.95 -5.06 117.98 111.55 3g3i s PHE 49 Ca 0.12 -0.80 0.07 0.00 -0.05 0.00 0.00 56.93 56.27 3g3i s PHE 49 Cb -0.02 -0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 41.88 3g3i s PHE 49 CO 0.28 -0.13 0.43 0.95 -0.05 0.00 0.00 175.22 176.70 3g3i s THR 50 N -3.01 3.47 0.14 -4.49 -4.23 -1.26 -4.67 115.64 101.59 3g3i s THR 50 Ca 0.06 -1.16 -0.18 0.00 -1.18 0.00 0.00 61.69 59.23 3g3i s THR 50 Cb 0.01 -3.19 0.04 0.00 1.34 0.00 0.00 72.50 70.70 3g3i s THR 50 CO -0.03 -0.10 0.47 -0.72 -0.54 0.00 0.00 174.62 173.69 3g3i s TYR 51 N -2.30 -0.27 -0.08 3.99 -0.85 -1.26 -0.76 117.35 115.82 3g3i s TYR 51 Ca 0.46 -0.02 -0.00 0.00 -0.52 0.00 0.00 57.07 56.99 3g3i s TYR 51 Cb -0.08 0.35 0.02 0.00 0.38 0.00 0.00 41.96 42.64 3g3i s TYR 51 CO 0.30 -0.77 -0.04 -2.00 -1.52 0.00 0.00 175.55 171.51 3g3i s GLU 52 N -3.80 1.03 0.02 -3.49 2.12 0.02 -4.86 118.70 109.74 3g3i s GLU 52 Ca 0.03 -0.10 -0.29 0.00 0.36 0.00 0.00 54.97 54.98 3g3i s GLU 52 Cb 0.01 -1.16 -0.04 0.00 0.26 0.00 0.00 34.13 33.20 3g3i s GLU 52 CO -0.11 -0.21 0.94 0.42 -0.54 0.00 0.00 175.26 175.76 3g3i s ILE 53 N 1.53 4.81 -0.07 -3.70 1.01 -1.26 -1.15 121.20 122.37 3g3i s ILE 53 Ca -0.01 1.99 -0.00 0.00 0.00 0.00 0.00 60.65 62.63 3g3i s ILE 53 Cb -0.13 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.08 3g3i s ILE 53 CO -0.04 0.21 -0.03 -0.13 0.00 0.00 0.00 174.94 174.95 3g3i s ARG 54 N 0.75 0.83 0.22 2.79 0.52 0.11 -4.89 118.95 119.28 3g3i s ARG 54 Ca 0.49 -0.03 -0.30 0.00 -0.52 0.00 0.00 55.73 55.37 3g3i s ARG 54 Cb -0.21 -1.00 -0.09 0.00 0.52 0.00 0.00 34.95 34.17 3g3i s ARG 54 CO 0.27 -0.20 1.36 -0.51 0.02 0.00 0.00 175.30 176.24 3g3i s LEU 55 N 1.48 4.41 0.19 2.53 1.43 -1.26 -2.39 118.68 125.06 3g3i s LEU 55 Ca -0.02 2.51 -0.33 0.00 -1.03 0.00 0.00 54.13 55.26 3g3i s LEU 55 Cb -0.13 -3.62 -0.14 0.00 0.03 0.00 0.00 46.19 42.33 3g3i s LEU 55 CO -0.03 -0.59 1.46 0.55 0.23 0.00 0.00 176.35 177.96 3g3i n VAL 56 N 2.49 0.45 -0.14 -1.59 3.14 0.28 -4.85 118.33 118.11 3g3i n VAL 56 Ca 0.06 -0.11 -0.07 0.00 -2.96 0.00 0.00 64.34 61.26 3g3i n VAL 56 Cb 0.42 -1.41 0.10 0.00 -1.06 0.00 0.00 33.84 31.89 3g3i n VAL 56 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 3g3i h GLU 57 N 4.93 0.89 -0.10 1.45 4.81 -1.91 -2.29 114.58 122.37 3g3i h GLU 57 Ca -0.45 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.51 3g3i h GLU 57 Cb 1.28 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3g3i h GLU 57 CO 0.81 0.91 0.00 -0.40 -0.73 0.00 0.00 179.01 179.60 3g3i n ASP 58 N -4.18 1.60 -1.04 1.04 5.75 -1.26 -4.95 116.55 113.51 3g3i n ASP 58 Ca 0.02 -1.61 -0.13 0.00 -0.01 0.00 0.00 54.79 53.05 3g3i n ASP 58 Cb 0.34 -0.06 -0.06 0.00 -1.03 0.00 0.00 41.12 40.31 3g3i n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g3i n GLY 59 N 1.15 1.41 3.47 6.12 0.00 -0.86 -4.97 105.19 111.51 3g3i n GLY 59 Ca 0.17 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 3g3i n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3i s LYS 60 N -3.15 1.68 -0.05 1.61 1.02 -1.26 -4.99 119.74 114.59 3g3i s LYS 60 Ca 0.00 -1.43 -0.12 0.00 0.02 0.00 0.00 55.97 54.44 3g3i s LYS 60 Cb 0.00 -1.95 -0.07 0.00 -0.52 0.00 0.00 37.83 35.30 3g3i s LYS 60 CO 0.00 0.42 0.49 1.88 -0.92 0.00 0.00 175.35 177.22 3g3i h TYR 61 N 3.18 -0.39 0.00 3.18 0.05 -1.88 -2.38 116.97 118.72 3g3i h TYR 61 Ca -0.47 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.30 3g3i h TYR 61 Cb 1.20 0.13 0.00 0.00 1.01 0.00 0.00 36.73 39.07 3g3i h TYR 61 CO 0.67 -0.24 0.00 0.41 -1.05 0.00 0.00 178.16 177.95 3g3i n GLY 62 N 0.69 3.90 3.24 3.88 0.00 -0.54 -1.42 105.19 114.95 3g3i n GLY 62 Ca -0.05 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 3g3i n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3i s ALA 63 N 0.00 -0.14 -0.09 4.61 0.00 -1.23 -4.61 121.76 120.29 3g3i s ALA 63 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 3g3i s ALA 63 Cb 0.00 0.61 -0.05 0.00 0.00 0.00 0.00 23.12 23.68 3g3i s ALA 63 CO 0.00 -0.55 0.26 -1.14 0.00 0.00 0.00 175.76 174.33 3g3i s GLN 64 N -3.90 3.79 -0.15 0.00 0.74 -1.26 -2.11 119.66 116.77 3g3i s GLN 64 Ca 0.09 0.09 -0.28 0.00 0.05 0.00 0.00 55.36 55.31 3g3i s GLN 64 Cb 0.04 -3.26 -0.01 0.00 1.10 0.00 0.00 33.01 30.89 3g3i s GLN 64 CO -0.08 0.62 0.97 0.34 -0.55 0.00 0.00 175.29 176.60 3g3i s ASP 65 N -0.69 7.14 0.30 6.67 3.68 0.45 -4.94 116.67 129.28 3g3i s ASP 65 Ca 0.18 1.40 0.26 0.00 2.13 0.00 0.00 52.55 56.52 3g3i s ASP 65 Cb -0.14 -2.53 0.86 0.00 -1.45 0.00 0.00 42.92 39.67 3g3i s ASP 65 CO 0.07 -0.49 1.76 0.44 0.13 0.00 0.00 175.17 177.08 3g3i h ASP 66 N 7.24 0.00 0.00 -0.34 3.32 -1.95 0.12 116.42 124.82 3g3i h ASP 66 Ca -0.28 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 3g3i h ASP 66 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3g3i h ASP 66 CO 0.88 0.00 -0.00 0.58 -1.72 0.00 0.00 179.24 178.98 3g3i h VAL 67 N 0.00 0.95 -0.02 -1.35 2.07 -1.98 -3.40 116.25 112.52 3g3i h VAL 67 Ca 0.00 -1.70 0.00 0.00 0.82 0.00 0.00 66.70 65.82 3g3i h VAL 67 Cb 0.64 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3g3i h VAL 67 CO 0.00 0.32 -0.18 -0.46 0.02 0.00 0.00 177.57 177.27 3g3i n ASN 68 N -4.70 2.22 0.00 0.57 0.23 -1.24 -4.98 115.26 107.37 3g3i n ASN 68 Ca -0.05 -1.61 0.00 0.00 -0.53 0.00 0.00 54.58 52.38 3g3i n ASN 68 Cb 0.25 0.22 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 3g3i n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3i n GLY 69 N 1.17 0.91 3.79 4.83 0.00 0.40 -5.00 105.19 111.29 3g3i n GLY 69 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3g3i n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3i s GLN 70 N -0.11 4.51 0.46 1.61 -0.21 -1.25 -4.66 119.66 120.01 3g3i s GLN 70 Ca 0.00 1.16 -0.03 0.00 0.02 0.00 0.00 55.36 56.51 3g3i s GLN 70 Cb 0.00 -3.01 -0.02 0.00 1.00 0.00 0.00 33.01 30.98 3g3i s GLN 70 CO 0.00 0.42 0.73 -1.58 -2.12 0.00 0.00 175.29 172.74 3g3i s TRP 71 N -1.41 3.42 0.25 0.91 0.52 -1.26 -0.41 118.94 120.95 3g3i s TRP 71 Ca 0.43 0.55 0.02 0.00 0.02 0.00 0.00 56.10 57.12 3g3i s TRP 71 Cb -0.20 -2.29 -0.01 0.00 -1.15 0.00 0.00 33.47 29.82 3g3i s TRP 71 CO 0.25 -0.30 0.08 0.27 0.02 0.00 0.00 176.95 177.27 3g3i n ASN 72 N -2.17 1.18 0.00 2.95 0.23 -0.90 -4.72 115.26 111.84 3g3i n ASN 72 Ca 0.00 -2.30 0.00 0.00 -0.53 0.00 0.00 54.58 51.75 3g3i n ASN 72 Cb 0.56 0.60 0.00 0.00 -2.08 0.00 0.00 39.78 38.86 3g3i n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3i n GLY 73 N 0.50 0.06 0.26 4.83 0.00 -1.26 -1.90 105.19 107.68 3g3i n GLY 73 Ca -0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 3g3i n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g3i h MET 74 N 0.00 0.51 -0.14 1.61 2.86 -0.68 -2.14 114.93 116.95 3g3i h MET 74 Ca 0.00 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 3g3i h MET 74 Cb 0.00 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3g3i h MET 74 CO 0.00 0.63 -0.03 0.28 1.06 0.00 0.00 176.91 178.84 3g3i h VAL 75 N 0.48 0.86 -0.59 -2.22 2.07 -1.55 -1.79 116.25 113.51 3g3i h VAL 75 Ca 0.09 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 3g3i h VAL 75 Cb 0.48 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3g3i h VAL 75 CO 0.03 0.00 0.26 -0.09 0.02 0.00 0.00 177.57 177.79 3g3i h ARG 76 N 0.00 0.84 -0.79 1.57 9.65 -0.91 -1.28 114.38 123.46 3g3i h ARG 76 Ca 0.07 -0.12 0.03 0.00 -1.10 0.00 0.00 59.98 58.86 3g3i h ARG 76 Cb 0.10 -0.16 -0.05 0.00 -1.39 0.00 0.00 29.97 28.48 3g3i h ARG 76 CO -0.14 0.67 0.50 0.93 2.80 0.00 0.00 179.97 184.73 3g3i h GLU 77 N 0.84 0.95 -0.18 0.20 4.39 -0.86 -1.39 114.58 118.51 3g3i h GLU 77 Ca 0.20 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 3g3i h GLU 77 Cb 0.12 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.55 3g3i h GLU 77 CO -0.02 0.63 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.28 3g3i h LEU 78 N 0.98 0.41 -0.85 1.33 3.38 -0.90 0.65 115.31 120.30 3g3i h LEU 78 Ca 0.32 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.96 3g3i h LEU 78 Cb 0.02 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 3g3i h LEU 78 CO -0.12 0.74 0.50 0.40 0.09 0.00 0.00 178.44 180.05 3g3i h ILE 79 N 0.08 0.92 -0.09 1.22 2.04 -0.87 -1.43 117.51 119.37 3g3i h ILE 79 Ca 0.04 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3g3i h ILE 79 Cb 0.59 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3g3i h ILE 79 CO 0.03 0.15 0.00 0.47 0.00 0.00 0.00 178.15 178.80 3g3i n ASP 80 N -4.72 1.10 -3.11 1.72 8.00 -0.56 -4.92 116.55 114.07 3g3i n ASP 80 Ca 0.14 -1.57 -0.23 0.00 0.71 0.00 0.00 54.79 53.85 3g3i n ASP 80 Cb 0.28 -0.06 0.04 0.00 -0.02 0.00 0.00 41.12 41.36 3g3i n ASP 80 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3g3i n HIS 81 N -0.07 -2.09 0.93 1.24 8.25 -0.54 -4.88 115.22 118.06 3g3i n HIS 81 Ca 0.16 0.59 0.12 0.00 -0.26 0.00 0.00 57.72 58.33 3g3i n HIS 81 Cb 0.25 -4.55 0.31 0.00 1.12 0.00 0.00 29.99 27.12 3g3i n HIS 81 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3g3i n LYS 82 N -4.16 0.05 -3.91 -0.41 4.76 0.18 -4.82 118.16 109.84 3g3i n LYS 82 Ca -0.10 0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.26 3g3i n LYS 82 Cb 0.61 -1.53 -0.10 0.00 -1.84 0.00 0.00 35.03 32.16 3g3i n LYS 82 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3g3i s ALA 83 N -3.03 -0.15 0.03 7.82 0.00 -1.16 -4.96 121.76 120.32 3g3i s ALA 83 Ca 0.11 -0.28 -0.08 0.00 0.00 0.00 0.00 51.96 51.70 3g3i s ALA 83 Cb 0.17 0.11 -0.31 0.00 0.00 0.00 0.00 23.12 23.09 3g3i s ALA 83 CO 0.67 -0.18 0.99 -0.44 0.00 0.00 0.00 175.76 176.80 3g3i h ASP 84 N 4.53 0.56 -4.97 0.00 3.32 -1.05 -3.42 116.42 115.39 3g3i h ASP 84 Ca -0.31 -0.65 -0.16 0.00 0.02 0.00 0.00 57.03 55.93 3g3i h ASP 84 Cb 1.20 -0.18 -0.21 0.00 0.22 0.00 0.00 39.33 40.36 3g3i h ASP 84 CO 0.41 1.52 -0.58 -0.76 -1.72 0.00 0.00 179.24 178.11 3g3i s LEU 85 N -7.26 1.86 -0.26 1.55 1.43 -1.02 -4.30 118.68 110.69 3g3i s LEU 85 Ca -0.08 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.66 3g3i s LEU 85 Cb 0.06 0.42 0.02 0.00 0.03 0.00 0.00 46.19 46.72 3g3i s LEU 85 CO 0.89 -0.34 -0.03 0.00 0.23 0.00 0.00 176.35 177.11 3g3i s ALA 86 N -1.41 2.79 -0.32 4.21 0.00 0.07 -0.64 121.76 126.46 3g3i s ALA 86 Ca -0.15 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.35 3g3i s ALA 86 Cb -0.09 -1.80 0.08 0.00 0.00 0.00 0.00 23.12 21.31 3g3i s ALA 86 CO 0.00 -0.85 0.03 0.08 0.00 0.00 0.00 175.76 175.02 3g3i s VAL 87 N 1.36 2.63 0.11 0.00 1.01 -0.85 -1.55 120.40 123.10 3g3i s VAL 87 Ca 0.01 -1.88 -0.26 0.00 0.00 0.00 0.00 61.98 59.84 3g3i s VAL 87 Cb -0.17 -2.71 0.08 0.00 0.00 0.00 0.00 36.38 33.58 3g3i s VAL 87 CO -0.03 -0.36 1.07 0.00 0.00 0.00 0.00 175.10 175.78 3g3i s ALA 88 N 1.08 -1.83 -1.29 5.51 0.00 -1.26 -4.60 121.76 119.37 3g3i s ALA 88 Ca 0.02 0.22 -0.16 0.00 0.00 0.00 0.00 51.96 52.03 3g3i s ALA 88 Cb -0.20 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 3g3i s ALA 88 CO -0.05 -1.05 2.15 -0.35 0.00 0.00 0.00 175.76 176.46 3g3i n PRO 89 N -0.52 2.53 -3.60 0.00 -0.04 -1.26 -4.73 135.00 127.38 3g3i n PRO 89 Ca -0.06 -2.43 -0.39 0.00 -0.04 0.00 0.00 63.50 60.57 3g3i n PRO 89 Cb 0.61 -3.21 -0.11 0.00 -0.04 0.00 0.00 33.50 30.75 3g3i n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3g3i s LEU 90 N 2.03 4.32 0.22 1.53 2.96 -1.26 -5.03 118.68 123.45 3g3i s LEU 90 Ca 0.50 -0.54 -0.30 0.00 -0.22 0.00 0.00 54.13 53.57 3g3i s LEU 90 Cb 0.14 -2.05 -0.09 0.00 0.50 0.00 0.00 46.19 44.69 3g3i s LEU 90 CO -0.04 -0.23 1.25 0.00 -1.32 0.00 0.00 176.35 176.01 3g3i s ALA 91 N 1.65 3.48 -0.30 5.97 0.00 -1.26 -2.03 121.76 129.27 3g3i s ALA 91 Ca 0.05 1.05 -0.28 0.00 0.00 0.00 0.00 51.96 52.78 3g3i s ALA 91 Cb -0.17 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.52 3g3i s ALA 91 CO 0.08 -0.45 1.02 0.42 0.00 0.00 0.00 175.76 176.83 3g3i s ILE 92 N -0.25 4.58 0.09 0.00 1.01 -0.04 -4.90 121.20 121.69 3g3i s ILE 92 Ca 0.53 1.68 0.03 0.00 0.00 0.00 0.00 60.65 62.89 3g3i s ILE 92 Cb -0.35 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.73 3g3i s ILE 92 CO 0.40 -0.40 -0.08 0.42 0.00 0.00 0.00 174.94 175.28 3g3i s THR 93 N 3.47 0.77 0.14 2.92 -4.23 -1.26 -4.53 115.64 112.92 3g3i s THR 93 Ca 0.43 -1.72 -0.22 0.00 -1.18 0.00 0.00 61.69 59.01 3g3i s THR 93 Cb -0.13 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.29 3g3i s THR 93 CO 0.13 -0.69 1.66 0.22 -0.54 0.00 0.00 174.62 175.40 3g3i h TYR 94 N 3.38 -0.42 -0.18 3.99 3.20 -1.98 -0.17 116.97 124.80 3g3i h TYR 94 Ca -0.36 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.48 3g3i h TYR 94 Cb 1.18 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.65 3g3i h TYR 94 CO 0.62 -0.24 -0.14 -0.39 -1.64 0.00 0.00 178.16 176.37 3g3i h VAL 95 N -0.18 1.19 -0.04 1.81 -1.51 -2.00 -2.34 116.25 113.18 3g3i h VAL 95 Ca 0.11 -0.85 -0.25 0.00 -1.23 0.00 0.00 66.70 64.49 3g3i h VAL 95 Cb 0.35 1.21 0.01 0.00 -2.13 0.00 0.00 31.29 30.74 3g3i h VAL 95 CO -0.29 0.27 -0.96 0.03 -1.23 0.00 0.00 177.57 175.39 3g3i h ARG 96 N 0.27 0.66 0.00 5.19 3.08 -1.85 -3.16 114.38 118.57 3g3i h ARG 96 Ca 0.05 -0.66 -0.01 0.00 0.07 0.00 0.00 59.98 59.43 3g3i h ARG 96 Cb 0.41 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 3g3i h ARG 96 CO 0.02 1.26 -0.03 1.49 -1.07 0.00 0.00 179.97 181.64 3g3i h GLU 97 N 0.39 0.00 0.00 0.04 4.57 -0.66 0.46 114.58 119.39 3g3i h GLU 97 Ca -0.10 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.04 3g3i h GLU 97 Cb 1.60 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.18 3g3i h GLU 97 CO 0.19 0.03 -0.21 0.93 -1.18 0.00 0.00 179.01 178.77 3g3i h GLU 98 N 0.00 0.00 0.00 1.92 5.08 -1.39 -3.37 114.58 116.82 3g3i h GLU 98 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g3i h GLU 98 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 3g3i h GLU 98 CO 0.00 0.21 -1.04 1.33 -1.00 0.00 0.00 179.01 178.52 3g3i n VAL 99 N -3.66 0.02 -4.44 3.13 0.24 -0.27 -5.06 118.33 108.28 3g3i n VAL 99 Ca -0.01 -0.02 -0.22 0.00 -2.04 0.00 0.00 64.34 62.05 3g3i n VAL 99 Cb 0.33 -0.02 -0.10 0.00 -1.47 0.00 0.00 33.84 32.58 3g3i n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3g3i s ILE 100 N -2.04 0.92 0.13 1.34 -4.36 -0.01 -4.32 121.20 112.86 3g3i s ILE 100 Ca -0.00 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.44 3g3i s ILE 100 Cb 0.00 -2.65 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 3g3i s ILE 100 CO 0.03 0.00 0.05 -1.81 0.24 0.00 0.00 174.94 173.45 3g3i s ASP 101 N -3.49 5.18 0.04 4.36 1.01 -0.39 -4.28 116.67 119.11 3g3i s ASP 101 Ca 0.33 -0.19 0.06 0.00 0.71 0.00 0.00 52.55 53.47 3g3i s ASP 101 Cb 0.07 -1.27 -0.02 0.00 1.01 0.00 0.00 42.92 42.71 3g3i s ASP 101 CO 0.15 0.13 -0.18 -0.36 0.21 0.00 0.00 175.17 175.12 3g3i s PHE 102 N -1.54 1.55 1.04 4.23 0.08 -1.26 -0.93 117.98 121.14 3g3i s PHE 102 Ca 0.28 -0.36 -0.12 0.00 0.12 0.00 0.00 56.93 56.86 3g3i s PHE 102 Cb -0.11 -0.93 0.21 0.00 -0.57 0.00 0.00 43.02 41.63 3g3i s PHE 102 CO 0.20 0.06 1.07 -1.54 -0.10 0.00 0.00 175.22 174.92 3g3i s SER 103 N -1.10 2.06 0.90 1.36 1.04 -0.14 -4.95 113.70 112.87 3g3i s SER 103 Ca 0.05 1.60 -0.10 0.00 0.48 0.00 0.00 55.95 57.97 3g3i s SER 103 Cb -0.08 -2.27 0.13 0.00 0.10 0.00 0.00 66.02 63.90 3g3i s SER 103 CO 0.01 -3.54 1.12 -0.54 0.98 0.00 0.00 173.24 171.27 3g3i s LYS 104 N -4.66 1.19 0.40 4.02 1.02 -1.26 -4.49 119.74 115.95 3g3i s LYS 104 Ca 0.67 1.39 -0.25 0.00 0.02 0.00 0.00 55.97 57.79 3g3i s LYS 104 Cb -0.22 -1.76 -0.08 0.00 -0.52 0.00 0.00 37.83 35.24 3g3i s LYS 104 CO 0.61 -2.46 1.16 -1.25 -0.92 0.00 0.00 175.35 172.49 3g3i s PRO 105 N -4.71 4.06 0.00 -1.68 0.04 -1.26 -4.60 135.00 126.85 3g3i s PRO 105 Ca 0.65 1.81 0.22 0.00 0.04 0.00 0.00 61.00 63.73 3g3i s PRO 105 Cb -0.21 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 3g3i s PRO 105 CO 0.58 -0.31 1.04 1.97 0.04 0.00 0.00 177.00 180.32 3g3i n PHE 106 N 0.06 0.00 -3.61 0.56 1.16 -0.01 -4.96 117.46 110.66 3g3i n PHE 106 Ca 0.04 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.46 3g3i n PHE 106 Cb 0.47 -0.03 -0.07 0.00 -1.61 0.00 0.00 39.48 38.24 3g3i n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3g3i s MET 107 N -2.82 0.90 0.05 3.97 0.00 -1.25 -5.01 119.30 115.15 3g3i s MET 107 Ca 0.12 0.21 0.09 0.00 0.00 0.00 0.00 55.69 56.11 3g3i s MET 107 Cb 0.17 0.42 -0.03 0.00 0.00 0.00 0.00 34.83 35.39 3g3i s MET 107 CO 0.75 -0.26 -0.26 0.99 0.00 0.00 0.00 175.02 176.24 3g3i s THR 108 N -1.03 2.22 0.09 10.11 2.01 -1.26 -1.25 115.64 126.53 3g3i s THR 108 Ca -0.10 -1.40 -0.06 0.00 0.31 0.00 0.00 61.69 60.44 3g3i s THR 108 Cb -0.02 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 70.63 3g3i s THR 108 CO 0.07 0.34 0.28 0.00 -0.69 0.00 0.00 174.62 174.62 3g3i n LEU 109 N 1.68 0.00 -3.68 4.42 -0.00 -0.03 -4.93 117.00 114.46 3g3i n LEU 109 Ca -0.17 -0.66 -0.09 0.00 -0.00 0.00 0.00 56.01 55.09 3g3i n LEU 109 Cb 0.52 1.06 -0.02 0.00 -0.00 0.00 0.00 43.42 44.98 3g3i n LEU 109 CO 0.23 -0.22 0.41 -0.83 -0.00 0.00 0.00 177.39 176.99 3g3i s GLY 110 N -1.96 -0.28 0.25 1.47 0.00 -1.26 -1.26 107.32 104.29 3g3i s GLY 110 Ca 0.06 -0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.47 3g3i s GLY 110 CO 0.03 -0.03 1.27 -0.42 0.00 0.00 0.00 173.10 173.95 3g3i s ILE 111 N -3.85 3.10 0.00 0.90 1.01 -1.26 -0.61 121.20 120.49 3g3i s ILE 111 Ca 0.07 1.00 0.00 0.00 0.00 0.00 0.00 60.65 61.72 3g3i s ILE 111 Cb -0.03 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.80 3g3i s ILE 111 CO -0.02 0.19 0.00 -0.24 0.00 0.00 0.00 174.94 174.88 3g3i n SER 112 N 1.80 0.00 -4.15 3.58 2.88 0.08 -0.27 113.62 117.54 3g3i n SER 112 Ca 0.03 -0.40 -0.29 0.00 -1.33 0.00 0.00 58.87 56.88 3g3i n SER 112 Cb 0.43 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.72 3g3i n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3g3i s ILE 113 N -1.65 1.68 -0.18 2.46 1.01 -1.24 -1.15 121.20 122.13 3g3i s ILE 113 Ca 0.00 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 3g3i s ILE 113 Cb 0.00 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 3g3i s ILE 113 CO 0.00 0.48 0.07 -0.22 0.00 0.00 0.00 174.94 175.27 3g3i s LEU 114 N 0.41 3.86 0.27 2.97 2.96 0.30 -0.70 118.68 128.74 3g3i s LEU 114 Ca -0.16 0.10 -0.13 0.00 -0.22 0.00 0.00 54.13 53.72 3g3i s LEU 114 Cb -0.17 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.55 3g3i s LEU 114 CO 0.06 0.18 0.53 -0.47 -1.32 0.00 0.00 176.35 175.33 3g3i s TYR 115 N 0.36 0.33 0.48 5.38 5.04 -0.62 -1.16 117.35 127.16 3g3i s TYR 115 Ca 0.04 -0.71 -0.22 0.00 -2.44 0.00 0.00 57.07 53.73 3g3i s TYR 115 Cb -0.12 0.29 -0.07 0.00 0.35 0.00 0.00 41.96 42.40 3g3i s TYR 115 CO -0.00 -1.08 1.16 1.03 -1.34 0.00 0.00 175.55 175.32 3g3i s ARG 116 N -3.81 3.66 0.74 4.97 0.52 -1.26 -0.95 118.95 122.82 3g3i s ARG 116 Ca 0.21 1.76 -0.15 0.00 -0.52 0.00 0.00 55.73 57.03 3g3i s ARG 116 Cb -0.02 -2.33 0.04 0.00 0.52 0.00 0.00 34.95 33.17 3g3i s ARG 116 CO 0.10 -0.63 1.24 0.15 0.02 0.00 0.00 175.30 176.18 3g3i s LYS 117 N -2.81 2.03 0.00 3.54 1.02 -0.47 -4.61 119.74 118.44 3g3i s LYS 117 Ca 0.66 1.86 0.00 0.00 0.02 0.00 0.00 55.97 58.51 3g3i s LYS 117 Cb -0.28 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 3g3i s LYS 117 CO 0.34 -1.95 0.00 0.41 -0.92 0.00 0.00 175.35 173.23 3g3i n GLY 118 N 0.61 -0.23 3.43 -3.33 0.00 -1.26 -5.04 105.19 99.36 3g3i n GLY 118 Ca 0.14 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 3g3i n GLY 118 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g3i s THR 119 N -2.14 0.02 -1.49 2.61 -1.32 -1.26 -5.02 115.64 107.03 3g3i s THR 119 Ca 0.00 -0.15 0.28 0.00 -1.21 0.00 0.00 61.69 60.61 3g3i s THR 119 Cb 0.00 -0.86 0.37 0.00 -1.51 0.00 0.00 72.50 70.50 3g3i s THR 119 CO 0.00 -0.08 1.81 -0.81 -2.21 0.00 0.00 174.62 173.33 3g3i n PRO 120 N 1.14 0.53 -2.04 7.08 -0.04 -1.26 -4.86 135.00 135.55 3g3i n PRO 120 Ca -0.20 -0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 62.66 3g3i n PRO 120 Cb 0.57 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.50 3g3i n PRO 120 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3g3i s ILE 121 N -2.60 3.34 0.00 0.52 -1.09 -1.26 -4.88 121.20 115.23 3g3i s ILE 121 Ca 0.25 0.73 0.00 0.00 -2.23 0.00 0.00 60.65 59.39 3g3i s ILE 121 Cb 0.20 -3.47 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 3g3i s ILE 121 CO 0.51 -0.01 0.28 -0.67 -1.23 0.00 0.00 174.94 173.82 3g3i n ASP 122 N 5.71 0.56 -3.70 3.58 2.03 -1.26 -4.85 116.55 118.62 3g3i n ASP 122 Ca 0.15 -0.81 -0.04 0.00 0.52 0.00 0.00 54.79 54.61 3g3i n ASP 122 Cb 0.42 0.28 -0.01 0.00 -0.72 0.00 0.00 41.12 41.08 3g3i n ASP 122 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3g3i s SER 123 N -0.28 -0.20 0.35 1.67 1.04 -1.26 -3.21 113.70 111.81 3g3i s SER 123 Ca 0.00 -0.31 0.02 0.00 0.48 0.00 0.00 55.95 56.15 3g3i s SER 123 Cb 0.00 0.44 0.65 0.00 0.10 0.00 0.00 66.02 67.20 3g3i s SER 123 CO 0.00 -0.79 2.01 0.00 0.98 0.00 0.00 173.24 175.43 3g3i h ALA 124 N 2.00 1.55 -0.62 5.32 0.00 -1.97 -2.35 119.26 123.19 3g3i h ALA 124 Ca -0.24 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.67 3g3i h ALA 124 Cb 1.23 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3g3i h ALA 124 CO 0.27 0.41 0.34 0.22 0.00 0.00 0.00 179.25 180.49 3g3i h ASP 125 N 0.83 0.52 -0.55 0.00 3.58 -1.95 0.63 116.42 119.48 3g3i h ASP 125 Ca 0.22 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.67 3g3i h ASP 125 Cb -0.08 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 3g3i h ASP 125 CO -0.05 0.35 0.23 0.44 -2.88 0.00 0.00 179.24 177.33 3g3i h ASP 126 N 0.65 0.75 -0.59 2.28 3.32 -1.83 -2.42 116.42 118.59 3g3i h ASP 126 Ca 0.27 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3g3i h ASP 126 Cb 0.14 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3g3i h ASP 126 CO -0.16 0.71 0.34 -0.07 -1.72 0.00 0.00 179.24 178.34 3g3i h LEU 127 N 0.75 0.72 -1.76 1.55 3.38 -0.96 -3.17 115.31 115.82 3g3i h LEU 127 Ca 0.19 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3g3i h LEU 127 Cb 0.18 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3g3i h LEU 127 CO -0.02 0.58 -0.10 0.00 0.09 0.00 0.00 178.44 178.99 3g3i h ALA 128 N 1.17 1.80 -0.08 1.53 0.00 -0.57 -2.56 119.26 120.55 3g3i h ALA 128 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3g3i h ALA 128 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3g3i h ALA 128 CO -0.04 0.15 0.00 1.63 0.00 0.00 0.00 179.25 180.99 3g3i n LYS 129 N -4.40 1.31 -4.14 0.00 5.02 -0.94 -4.86 118.16 110.15 3g3i n LYS 129 Ca -0.02 -0.47 -0.11 0.00 -2.02 0.00 0.00 58.31 55.69 3g3i n LYS 129 Cb 0.18 -1.30 -0.09 0.00 -0.02 0.00 0.00 35.03 33.81 3g3i n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3g3i s GLN 130 N -1.90 1.15 0.00 1.97 1.03 -0.97 -5.07 119.66 115.88 3g3i s GLN 130 Ca 0.26 -1.48 0.00 0.00 0.04 0.00 0.00 55.36 54.18 3g3i s GLN 130 Cb 0.13 0.30 0.00 0.00 0.03 0.00 0.00 33.01 33.47 3g3i s GLN 130 CO 0.21 -0.38 0.09 0.25 -2.54 0.00 0.00 175.29 172.92 3g3i n THR 131 N -0.22 0.00 -0.10 3.63 -2.24 -1.26 -4.84 114.28 109.24 3g3i n THR 131 Ca -0.02 -0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 3g3i n THR 131 Cb 0.65 1.62 -0.02 0.00 -2.10 0.00 0.00 70.33 70.47 3g3i n THR 131 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3g3i h LYS 132 N 0.00 0.47 -5.66 -0.78 1.63 -1.97 -3.39 116.57 106.87 3g3i h LYS 132 Ca 0.00 -0.09 -0.61 0.00 -0.85 0.00 0.00 60.65 59.10 3g3i h LYS 132 Cb 0.31 -0.07 -0.11 0.00 -0.60 0.00 0.00 32.23 31.75 3g3i h LYS 132 CO 0.00 0.49 0.29 0.42 -3.45 0.00 0.00 179.45 177.20 3g3i s ILE 133 N -5.50 4.84 0.70 2.00 1.01 -1.26 -4.97 121.20 118.02 3g3i s ILE 133 Ca -0.13 0.96 -0.11 0.00 0.00 0.00 0.00 60.65 61.36 3g3i s ILE 133 Cb 0.09 -4.10 0.01 0.00 0.01 0.00 0.00 42.46 38.46 3g3i s ILE 133 CO 0.73 -0.26 1.08 -1.61 0.00 0.00 0.00 174.94 174.88 3g3i s GLU 134 N 2.85 2.90 0.03 2.79 2.02 -0.81 -4.88 118.70 123.60 3g3i s GLU 134 Ca 0.29 0.63 -0.20 0.00 0.02 0.00 0.00 54.97 55.71 3g3i s GLU 134 Cb -0.14 -2.01 0.04 0.00 0.10 0.00 0.00 34.13 32.12 3g3i s GLU 134 CO 0.13 -1.04 0.45 1.52 0.02 0.00 0.00 175.26 176.35 3g3i s TYR 135 N -3.24 -0.33 0.00 1.61 1.13 -1.26 -0.70 117.35 114.56 3g3i s TYR 135 Ca 0.58 0.37 0.00 0.00 -1.41 0.00 0.00 57.07 56.61 3g3i s TYR 135 Cb -0.12 0.26 0.00 0.00 -1.10 0.00 0.00 41.96 41.00 3g3i s TYR 135 CO 0.53 -0.58 0.00 0.41 -2.51 0.00 0.00 175.55 173.40 3g3i n GLY 136 N 0.58 1.95 3.85 5.49 0.00 -1.05 -4.75 105.19 111.26 3g3i n GLY 136 Ca -0.19 -0.75 -0.07 0.00 0.00 0.00 0.00 46.02 45.01 3g3i n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3i s ALA 137 N -1.00 -1.17 0.07 4.61 0.00 -1.19 -0.74 121.76 122.33 3g3i s ALA 137 Ca 0.00 -0.36 -0.31 0.00 0.00 0.00 0.00 51.96 51.30 3g3i s ALA 137 Cb 0.00 0.81 -0.07 0.00 0.00 0.00 0.00 23.12 23.86 3g3i s ALA 137 CO 0.00 -1.03 1.47 0.08 0.00 0.00 0.00 175.76 176.28 3g3i s VAL 138 N -3.65 3.33 0.25 0.00 1.01 -1.26 -1.69 120.40 118.39 3g3i s VAL 138 Ca 0.12 0.84 -0.30 0.00 0.00 0.00 0.00 61.98 62.64 3g3i s VAL 138 Cb -0.06 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 3g3i s VAL 138 CO 0.07 0.02 1.50 -0.70 0.00 0.00 0.00 175.10 176.00 3g3i s GLU 139 N 1.96 4.22 -1.20 2.72 2.12 0.75 -3.15 118.70 126.12 3g3i s GLU 139 Ca 0.67 2.39 0.00 0.00 0.36 0.00 0.00 54.97 58.39 3g3i s GLU 139 Cb -0.36 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3g3i s GLU 139 CO 0.29 -0.50 0.00 -0.25 -0.54 0.00 0.00 175.26 174.26 3g3i n ASP 140 N 2.44 -4.25 -3.79 -1.70 8.00 -1.26 -4.82 116.55 111.17 3g3i n ASP 140 Ca 0.08 0.06 -0.18 0.00 0.71 0.00 0.00 54.79 55.46 3g3i n ASP 140 Cb 0.39 -3.32 -0.01 0.00 -0.02 0.00 0.00 41.12 38.16 3g3i n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g3i n GLY 141 N -1.09 3.10 0.20 0.44 0.00 -1.19 -1.46 105.19 105.19 3g3i n GLY 141 Ca -0.15 -2.27 -0.03 0.00 0.00 0.00 0.00 46.02 43.57 3g3i n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3i h ALA 142 N 0.82 1.06 -0.17 4.61 0.00 -1.88 -2.02 119.26 121.69 3g3i h ALA 142 Ca -0.24 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.22 3g3i h ALA 142 Cb 0.82 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3g3i h ALA 142 CO 0.38 0.60 -0.01 1.15 0.00 0.00 0.00 179.25 181.37 3g3i h THR 143 N 0.24 1.27 -0.46 0.00 2.02 -1.96 -0.15 112.91 113.87 3g3i h THR 143 Ca 0.02 -0.91 0.06 0.00 0.77 0.00 0.00 66.41 66.36 3g3i h THR 143 Cb 0.84 1.53 -0.06 0.00 -1.74 0.00 0.00 68.15 68.72 3g3i h THR 143 CO 0.07 0.27 0.14 -0.03 0.37 0.00 0.00 175.52 176.34 3g3i h MET 144 N 0.05 0.30 -0.16 6.66 -1.53 -1.72 -2.27 114.93 116.26 3g3i h MET 144 Ca 0.05 -0.02 -0.14 0.00 -3.44 0.00 0.00 59.70 56.15 3g3i h MET 144 Cb 0.42 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.39 3g3i h MET 144 CO 0.01 0.20 -0.49 1.15 0.14 0.00 0.00 176.91 177.92 3g3i h THR 145 N 0.30 1.33 -0.34 -0.77 2.02 -1.17 -0.61 112.91 113.68 3g3i h THR 145 Ca 0.22 -1.72 0.05 0.00 0.77 0.00 0.00 66.41 65.73 3g3i h THR 145 Cb 0.24 1.75 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 3g3i h THR 145 CO -0.24 0.52 0.08 0.15 0.37 0.00 0.00 175.52 176.40 3g3i h PHE 146 N 0.33 0.14 -0.40 3.16 3.57 -0.48 -1.07 116.94 122.19 3g3i h PHE 146 Ca 0.02 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 3g3i h PHE 146 Cb 0.98 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 3g3i h PHE 146 CO 0.03 0.04 -0.10 0.74 -2.23 0.00 0.00 178.31 176.79 3g3i h PHE 147 N 0.21 0.88 -0.69 0.41 0.04 -0.99 -1.84 116.94 114.96 3g3i h PHE 147 Ca 0.16 -0.19 0.01 0.00 2.80 0.00 0.00 57.97 60.75 3g3i h PHE 147 Cb 0.16 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.07 3g3i h PHE 147 CO -0.17 0.91 0.46 -0.22 -0.60 0.00 0.00 178.31 178.69 3g3i h LYS 148 N 0.59 0.89 0.00 1.51 3.64 -0.90 -2.65 116.57 119.65 3g3i h LYS 148 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3g3i h LYS 148 Cb 0.63 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3g3i h LYS 148 CO 0.04 0.59 -0.72 1.63 -2.27 0.00 0.00 179.45 178.72 3g3i n LYS 149 N -4.44 0.24 -2.34 1.90 4.76 -0.42 -4.98 118.16 112.87 3g3i n LYS 149 Ca 0.08 0.05 -0.41 0.00 -2.87 0.00 0.00 58.31 55.15 3g3i n LYS 149 Cb 0.06 -1.63 -0.03 0.00 -1.84 0.00 0.00 35.03 31.58 3g3i n LYS 149 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3g3i s SER 150 N -3.92 7.08 0.00 4.39 0.15 -0.70 -4.92 113.70 115.78 3g3i s SER 150 Ca 0.06 2.39 0.23 0.00 0.70 0.00 0.00 55.95 59.33 3g3i s SER 150 Cb 0.14 -2.63 0.16 0.00 -1.71 0.00 0.00 66.02 61.99 3g3i s SER 150 CO 0.74 -0.31 1.17 0.29 1.20 0.00 0.00 173.24 176.33 3g3i n LYS 151 N 1.39 0.01 -2.14 5.44 4.76 -1.26 -4.29 118.16 122.07 3g3i n LYS 151 Ca 0.01 -0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 3g3i n LYS 151 Cb 0.44 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.10 3g3i n LYS 151 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3g3i s ILE 152 N -3.01 2.96 0.13 -0.18 -1.09 -1.26 -4.88 121.20 113.87 3g3i s ILE 152 Ca 0.09 0.82 -0.18 0.00 -2.23 0.00 0.00 60.65 59.15 3g3i s ILE 152 Cb 0.17 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 3g3i s ILE 152 CO 0.78 0.14 1.77 -1.28 -1.23 0.00 0.00 174.94 175.12 3g3i h SER 153 N 4.87 0.33 -0.33 3.58 0.87 -1.99 0.63 113.55 121.52 3g3i h SER 153 Ca -0.46 -0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.11 3g3i h SER 153 Cb 1.22 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 63.06 3g3i h SER 153 CO 0.75 0.26 0.10 0.74 -0.53 0.00 0.00 176.83 178.15 3g3i h THR 154 N 0.37 0.89 -0.03 2.23 2.02 -1.99 -1.39 112.91 115.00 3g3i h THR 154 Ca 0.10 -0.08 -0.21 0.00 0.77 0.00 0.00 66.41 66.99 3g3i h THR 154 Cb -0.02 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3g3i h THR 154 CO -0.02 0.04 -0.86 1.88 0.37 0.00 0.00 175.52 176.93 3g3i h TYR 155 N 0.23 0.59 -0.56 3.16 0.05 -1.84 -1.62 116.97 116.98 3g3i h TYR 155 Ca 0.15 -0.30 0.06 0.00 0.05 0.00 0.00 58.73 58.70 3g3i h TYR 155 Cb 0.14 -0.08 -0.06 0.00 1.01 0.00 0.00 36.73 37.74 3g3i h TYR 155 CO -0.15 1.09 0.26 0.22 -1.05 0.00 0.00 178.16 178.53 3g3i h ASP 156 N 0.25 0.33 -0.53 3.88 3.58 -0.74 -0.08 116.42 123.11 3g3i h ASP 156 Ca -0.06 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 3g3i h ASP 156 Cb 1.47 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.49 3g3i h ASP 156 CO 0.15 0.22 0.15 0.50 -2.88 0.00 0.00 179.24 177.37 3g3i h LYS 157 N 0.48 0.84 -0.74 0.28 3.64 -1.10 -1.67 116.57 118.30 3g3i h LYS 157 Ca 0.26 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3g3i h LYS 157 Cb 0.23 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3g3i h LYS 157 CO -0.21 0.78 0.27 0.52 -2.27 0.00 0.00 179.45 178.54 3g3i h MET 158 N 0.74 1.13 -0.62 1.90 2.86 -1.00 -2.55 114.93 117.39 3g3i h MET 158 Ca 0.17 -0.22 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 3g3i h MET 158 Cb 0.31 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 3g3i h MET 158 CO -0.00 0.94 0.29 2.35 1.06 0.00 0.00 176.91 181.55 3g3i h TRP 159 N 1.09 0.91 -0.81 -0.22 2.91 -0.73 -0.67 115.95 118.44 3g3i h TRP 159 Ca 0.24 -0.05 0.09 0.00 1.13 0.00 0.00 58.89 60.31 3g3i h TRP 159 Cb 0.26 -0.28 -0.07 0.00 -0.51 0.00 0.00 29.16 28.55 3g3i h TRP 159 CO 0.02 0.70 0.46 0.00 -1.03 0.00 0.00 178.44 178.60 3g3i h ALA 160 N 1.12 1.16 -0.20 2.65 0.00 -1.00 0.91 119.26 123.90 3g3i h ALA 160 Ca 0.21 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3g3i h ALA 160 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3g3i h ALA 160 CO -0.02 0.09 -0.10 0.35 0.00 0.00 0.00 179.25 179.57 3g3i h PHE 161 N 0.78 0.48 -0.61 0.00 3.57 -1.06 -1.95 116.94 118.16 3g3i h PHE 161 Ca 0.39 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 3g3i h PHE 161 Cb 0.36 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3g3i h PHE 161 CO -0.06 0.71 0.30 0.52 -2.23 0.00 0.00 178.31 177.54 3g3i h MET 162 N 0.11 0.87 -0.44 1.11 2.86 -0.65 -1.58 114.93 117.20 3g3i h MET 162 Ca 0.04 -0.12 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 3g3i h MET 162 Cb 0.58 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 3g3i h MET 162 CO 0.03 0.69 -0.01 0.66 1.06 0.00 0.00 176.91 179.34 3g3i h SER 163 N 0.83 0.77 -0.81 1.22 4.64 -0.85 0.48 113.55 119.83 3g3i h SER 163 Ca 0.21 -0.32 0.02 0.00 -0.47 0.00 0.00 61.79 61.23 3g3i h SER 163 Cb 0.11 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 61.94 3g3i h SER 163 CO -0.03 0.90 0.53 0.77 -0.87 0.00 0.00 176.83 178.13 3g3i h SER 164 N 0.63 0.90 -0.57 4.97 4.64 -1.12 -2.80 113.55 120.19 3g3i h SER 164 Ca 0.12 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3g3i h SER 164 Cb 0.51 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3g3i h SER 164 CO 0.03 0.64 0.00 0.54 -0.87 0.00 0.00 176.83 177.16 3g3i n ARG 165 N -4.55 4.90 0.04 4.77 1.74 -0.62 -4.74 116.66 118.21 3g3i n ARG 165 Ca 0.09 -3.17 0.06 0.00 -0.77 0.00 0.00 57.85 54.06 3g3i n ARG 165 Cb 0.05 -2.27 0.48 0.00 -1.02 0.00 0.00 32.46 29.70 3g3i n ARG 165 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3g3i h ARG 166 N 3.99 0.40 0.00 5.56 0.11 -0.62 -0.07 114.38 123.75 3g3i h ARG 166 Ca 0.00 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.04 3g3i h ARG 166 Cb 1.98 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 32.97 3g3i h ARG 166 CO 0.49 0.26 -0.07 1.96 0.10 0.00 0.00 179.97 182.72 3g3i h GLN 167 N 0.41 0.00 0.02 0.08 1.08 -1.86 -1.89 115.11 112.96 3g3i h GLN 167 Ca 0.14 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 56.95 3g3i h GLN 167 Cb 0.06 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.43 3g3i h GLN 167 CO -0.03 0.07 -2.40 0.45 -0.95 0.00 0.00 178.83 175.97 3g3i n SER 168 N -3.58 2.00 -0.00 1.46 2.88 -0.16 -4.76 113.62 111.45 3g3i n SER 168 Ca -0.02 -0.03 0.11 0.00 -1.33 0.00 0.00 58.87 57.60 3g3i n SER 168 Cb 0.19 -0.53 -0.16 0.00 -0.75 0.00 0.00 64.21 62.96 3g3i n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3g3i n VAL 169 N -3.43 0.02 -3.15 2.46 0.24 -0.50 -4.83 118.33 109.15 3g3i n VAL 169 Ca -0.45 -0.45 -0.39 0.00 -2.04 0.00 0.00 64.34 61.01 3g3i n VAL 169 Cb 0.98 0.09 -0.05 0.00 -1.47 0.00 0.00 33.84 33.38 3g3i n VAL 169 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g3i s LEU 170 N -4.39 4.43 0.32 1.34 1.43 -0.72 -3.20 118.68 117.89 3g3i s LEU 170 Ca -0.06 1.24 0.07 0.00 -1.03 0.00 0.00 54.13 54.35 3g3i s LEU 170 Cb 0.14 -3.00 -0.06 0.00 0.03 0.00 0.00 46.19 43.29 3g3i s LEU 170 CO 0.90 0.08 -0.04 0.68 0.23 0.00 0.00 176.35 178.21 3g3i s VAL 171 N -0.18 1.77 -0.83 -1.59 -7.23 -0.68 -4.82 120.40 106.84 3g3i s VAL 171 Ca 0.33 -2.11 0.25 0.00 -1.81 0.00 0.00 61.98 58.64 3g3i s VAL 171 Cb -0.19 -2.63 0.05 0.00 0.56 0.00 0.00 36.38 34.16 3g3i s VAL 171 CO 0.19 -0.18 1.41 1.17 -0.31 0.00 0.00 175.10 177.38 3g3i n LYS 172 N -0.71 0.14 -3.53 4.82 4.81 -1.26 -0.18 118.16 122.25 3g3i n LYS 172 Ca -0.05 0.04 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 3g3i n LYS 172 Cb 0.64 -1.59 -0.02 0.00 0.02 0.00 0.00 35.03 34.08 3g3i n LYS 172 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3g3i s SER 173 N -3.60 -0.49 0.31 3.14 1.04 -1.26 -4.78 113.70 108.06 3g3i s SER 173 Ca 0.09 -0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.38 3g3i s SER 173 Cb 0.16 0.63 0.55 0.00 0.10 0.00 0.00 66.02 67.45 3g3i s SER 173 CO 0.70 -1.06 1.92 0.78 0.98 0.00 0.00 173.24 176.56 3g3i h ASN 174 N 2.00 0.88 -0.91 7.02 2.35 -1.94 -2.16 115.58 122.82 3g3i h ASN 174 Ca -0.30 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 3g3i h ASN 174 Cb 1.29 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 39.43 3g3i h ASN 174 CO 0.34 0.57 0.52 -0.08 -1.65 0.00 0.00 177.43 177.14 3g3i h GLU 175 N 1.01 1.25 -0.27 0.81 4.81 -1.97 -0.32 114.58 119.89 3g3i h GLU 175 Ca 0.37 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 3g3i h GLU 175 Cb 0.17 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 3g3i h GLU 175 CO -0.13 0.89 -0.28 0.93 -0.73 0.00 0.00 179.01 179.69 3g3i h GLU 176 N 1.26 0.55 -0.44 1.92 5.08 -1.84 -1.83 114.58 119.28 3g3i h GLU 176 Ca 0.32 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3g3i h GLU 176 Cb -0.01 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3g3i h GLU 176 CO -0.06 0.77 0.20 0.78 -1.00 0.00 0.00 179.01 179.71 3g3i h GLY 177 N 1.03 0.68 1.00 -3.84 0.00 -0.69 -1.44 103.07 99.81 3g3i h GLY 177 Ca 0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 3g3i h GLY 177 CO 0.06 0.33 0.39 -2.22 0.00 0.00 0.00 176.54 175.10 3g3i h ILE 178 N 0.56 1.18 -0.48 2.60 2.04 -0.89 -1.14 117.51 121.39 3g3i h ILE 178 Ca 0.15 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 3g3i h ILE 178 Cb 0.14 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 3g3i h ILE 178 CO -0.02 0.18 0.16 1.56 0.00 0.00 0.00 178.15 180.03 3g3i h GLN 179 N 0.85 0.70 -0.49 2.37 1.08 -1.11 -1.23 115.11 117.27 3g3i h GLN 179 Ca 0.23 -0.11 -0.12 0.00 -1.45 0.00 0.00 58.65 57.19 3g3i h GLN 179 Cb -0.05 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 3g3i h GLN 179 CO -0.04 0.60 -0.17 0.00 -0.95 0.00 0.00 178.83 178.27 3g3i h ARG 180 N 0.69 0.96 -0.91 1.46 2.47 -0.62 -1.62 114.38 116.81 3g3i h ARG 180 Ca 0.16 -0.38 0.03 0.00 -1.26 0.00 0.00 59.98 58.53 3g3i h ARG 180 Cb 0.19 -0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.41 3g3i h ARG 180 CO -0.01 1.05 0.60 0.28 0.56 0.00 0.00 179.97 182.45 3g3i h VAL 181 N 0.84 1.18 0.00 2.04 2.07 -0.47 -1.86 116.25 120.06 3g3i h VAL 181 Ca 0.12 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3g3i h VAL 181 Cb 0.73 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3g3i h VAL 181 CO 0.06 0.21 -0.04 -0.07 0.02 0.00 0.00 177.57 177.75 3g3i h LEU 182 N 1.17 0.00 -0.96 2.57 3.38 -0.82 -3.36 115.31 117.30 3g3i h LEU 182 Ca 0.35 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3g3i h LEU 182 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3g3i h LEU 182 CO -0.10 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.78 3g3i n THR 183 N -2.74 0.00 -3.95 0.22 -2.24 -0.65 -5.06 114.28 99.87 3g3i n THR 183 Ca 0.04 -0.49 -0.09 0.00 -2.27 0.00 0.00 64.05 61.24 3g3i n THR 183 Cb 0.49 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.69 3g3i n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3g3i s SER 184 N -0.03 -0.10 -1.11 3.42 1.04 -0.72 -5.05 113.70 111.16 3g3i s SER 184 Ca 0.00 -0.86 -0.18 0.00 0.48 0.00 0.00 55.95 55.39 3g3i s SER 184 Cb 0.00 0.65 0.11 0.00 0.10 0.00 0.00 66.02 66.88 3g3i s SER 184 CO 0.00 -1.25 1.43 -0.62 0.98 0.00 0.00 173.24 173.78 3g3i s ASP 185 N -3.00 6.75 -0.12 7.02 2.15 -1.26 -4.59 116.67 123.62 3g3i s ASP 185 Ca 0.19 -2.22 -0.09 0.00 0.43 0.00 0.00 52.55 50.85 3g3i s ASP 185 Cb -0.03 -2.49 0.04 0.00 -0.30 0.00 0.00 42.92 40.15 3g3i s ASP 185 CO 0.09 -1.13 0.31 -0.47 -0.17 0.00 0.00 175.17 173.81 3g3i s TYR 186 N 3.36 -0.38 -0.09 -5.34 6.14 -1.26 -1.92 117.35 117.86 3g3i s TYR 186 Ca 0.43 0.90 0.01 0.00 0.64 0.00 0.00 57.07 59.06 3g3i s TYR 186 Cb -0.01 0.13 -0.03 0.00 0.42 0.00 0.00 41.96 42.47 3g3i s TYR 186 CO -0.03 -0.21 -0.10 0.00 0.64 0.00 0.00 175.55 175.85 3g3i s ALA 187 N 0.64 2.82 -0.18 3.97 0.00 0.12 -4.37 121.76 124.76 3g3i s ALA 187 Ca -0.04 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 3g3i s ALA 187 Cb -0.05 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 3g3i s ALA 187 CO -0.04 0.45 -0.03 0.12 0.00 0.00 0.00 175.76 176.26 3g3i s PHE 188 N -0.38 3.00 -0.26 0.00 5.36 -0.31 -2.54 117.98 122.85 3g3i s PHE 188 Ca 0.05 -0.46 -0.27 0.00 -0.96 0.00 0.00 56.93 55.29 3g3i s PHE 188 Cb -0.12 -2.01 0.00 0.00 -0.34 0.00 0.00 43.02 40.55 3g3i s PHE 188 CO 0.02 -0.18 0.94 -0.51 -1.46 0.00 0.00 175.22 174.03 3g3i s LEU 189 N 0.72 4.07 0.02 6.12 1.02 0.08 -0.54 118.68 130.17 3g3i s LEU 189 Ca -0.02 1.12 -0.09 0.00 0.02 0.00 0.00 54.13 55.17 3g3i s LEU 189 Cb -0.14 -3.36 0.00 0.00 0.02 0.00 0.00 46.19 42.71 3g3i s LEU 189 CO 0.02 -0.64 0.18 -0.32 0.02 0.00 0.00 176.35 175.61 3g3i s MET 190 N 3.11 0.62 0.29 1.70 1.75 -0.30 -4.54 119.30 121.93 3g3i s MET 190 Ca 0.40 -0.52 -0.29 0.00 -1.25 0.00 0.00 55.69 54.03 3g3i s MET 190 Cb -0.15 0.26 -0.09 0.00 2.84 0.00 0.00 34.83 37.69 3g3i s MET 190 CO 0.09 -0.17 1.06 -1.21 -0.65 0.00 0.00 175.02 174.14 3g3i s GLU 191 N -2.05 4.62 0.34 4.11 2.02 -1.26 -0.74 118.70 125.74 3g3i s GLU 191 Ca -0.09 1.69 0.04 0.00 0.02 0.00 0.00 54.97 56.63 3g3i s GLU 191 Cb -0.04 -3.11 0.62 0.00 0.10 0.00 0.00 34.13 31.70 3g3i s GLU 191 CO -0.01 0.23 1.89 0.66 0.02 0.00 0.00 175.26 178.05 3g3i h SER 192 N 3.69 0.51 0.32 -0.19 4.64 -1.19 -1.37 113.55 119.95 3g3i h SER 192 Ca -0.47 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 60.67 3g3i h SER 192 Cb 1.21 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 3g3i h SER 192 CO 0.66 0.55 -0.40 0.71 -0.87 0.00 0.00 176.83 177.48 3g3i h THR 193 N 0.53 1.30 -0.10 2.95 1.35 -1.92 -1.18 112.91 115.84 3g3i h THR 193 Ca 0.12 -1.44 -0.17 0.00 -0.55 0.00 0.00 66.41 64.36 3g3i h THR 193 Cb 0.28 1.71 0.01 0.00 -1.73 0.00 0.00 68.15 68.42 3g3i h THR 193 CO 0.00 0.42 -0.60 0.74 -0.25 0.00 0.00 175.52 175.83 3g3i h THR 194 N 0.10 1.34 -0.83 6.82 2.02 -1.74 -2.76 112.91 117.86 3g3i h THR 194 Ca 0.01 -1.90 0.07 0.00 0.77 0.00 0.00 66.41 65.35 3g3i h THR 194 Cb 0.76 2.18 -0.06 0.00 -1.74 0.00 0.00 68.15 69.28 3g3i h THR 194 CO 0.06 0.58 0.50 0.40 0.37 0.00 0.00 175.52 177.43 3g3i h ILE 195 N 0.22 1.01 -0.45 3.11 2.04 -0.99 -0.72 117.51 121.74 3g3i h ILE 195 Ca -0.05 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.51 3g3i h ILE 195 Cb 1.25 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3g3i h ILE 195 CO 0.12 0.16 0.29 -0.08 0.00 0.00 0.00 178.15 178.65 3g3i h GLU 196 N 0.90 0.57 -0.11 2.37 4.81 -1.15 0.01 114.58 121.98 3g3i h GLU 196 Ca 0.37 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3g3i h GLU 196 Cb 0.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3g3i h GLU 196 CO -0.18 0.38 0.07 0.35 -0.73 0.00 0.00 179.01 178.89 3g3i h PHE 197 N 0.59 0.15 -0.49 0.92 3.57 -1.07 -2.59 116.94 118.03 3g3i h PHE 197 Ca 0.17 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.56 3g3i h PHE 197 Cb -0.05 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 3g3i h PHE 197 CO -0.05 0.15 -0.13 0.28 -2.23 0.00 0.00 178.31 176.32 3g3i h VAL 198 N 0.11 1.27 0.00 1.41 2.07 -0.75 -2.96 116.25 117.41 3g3i h VAL 198 Ca 0.04 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 3g3i h VAL 198 Cb 0.04 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3g3i h VAL 198 CO -0.01 0.44 -0.05 0.71 0.02 0.00 0.00 177.57 178.69 3g3i h THR 199 N 0.80 0.09 0.00 2.57 1.35 -1.02 -1.30 112.91 115.41 3g3i h THR 199 Ca 0.12 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3g3i h THR 199 Cb 0.69 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3g3i h THR 199 CO 0.05 0.04 0.00 0.00 -0.25 0.00 0.00 175.52 175.37 3g3i n GLN 200 N -3.13 0.24 0.00 4.72 6.02 -0.98 -3.55 117.38 120.71 3g3i n GLN 200 Ca 0.02 0.27 0.04 0.00 -0.01 0.00 0.00 57.00 57.32 3g3i n GLN 200 Cb 0.45 -1.82 -0.04 0.00 1.02 0.00 0.00 30.24 29.84 3g3i n GLN 200 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3g3i n ARG 201 N -2.25 4.01 -3.74 -1.09 1.74 -0.96 -3.86 116.66 110.51 3g3i n ARG 201 Ca 0.05 -0.04 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 3g3i n ARG 201 Cb 0.38 -0.92 -0.16 0.00 -1.02 0.00 0.00 32.46 30.74 3g3i n ARG 201 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3g3i s ASN 202 N -1.77 3.27 0.00 0.55 3.84 -0.53 -5.00 114.94 115.31 3g3i s ASN 202 Ca 0.04 -1.06 0.31 0.00 0.21 0.00 0.00 52.86 52.36 3g3i s ASN 202 Cb 0.07 -0.69 1.71 0.00 -0.55 0.00 0.00 41.25 41.78 3g3i s ASN 202 CO 0.34 -0.33 2.12 0.00 -2.79 0.00 0.00 177.10 176.44 3g3i n ASN 204 N -0.90 0.54 -4.64 0.00 3.02 -1.26 -4.92 115.26 107.10 3g3i n ASN 204 Ca 0.21 -0.39 -0.27 0.00 -0.03 0.00 0.00 54.58 54.11 3g3i n ASN 204 Cb 0.17 0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.27 3g3i n ASN 204 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g3i s LEU 205 N -2.72 3.22 0.07 3.41 1.43 -0.89 -1.36 118.68 121.83 3g3i s LEU 205 Ca 0.20 -0.44 -0.09 0.00 -1.03 0.00 0.00 54.13 52.77 3g3i s LEU 205 Cb 0.19 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 3g3i s LEU 205 CO 0.56 0.10 0.19 0.28 0.23 0.00 0.00 176.35 177.71 3g3i s THR 206 N -1.69 0.13 0.25 5.49 -1.32 -0.12 -4.76 115.64 113.62 3g3i s THR 206 Ca 0.26 -1.08 -0.30 0.00 -1.21 0.00 0.00 61.69 59.37 3g3i s THR 206 Cb -0.09 -1.16 -0.09 0.00 -1.51 0.00 0.00 72.50 69.64 3g3i s THR 206 CO 0.17 -0.59 1.07 -1.58 -2.21 0.00 0.00 174.62 171.48 3g3i s GLN 207 N -3.32 4.67 -0.16 7.08 0.74 -1.26 -1.58 119.66 125.83 3g3i s GLN 207 Ca 0.01 1.72 -0.01 0.00 0.05 0.00 0.00 55.36 57.13 3g3i s GLN 207 Cb 0.02 -3.23 -0.01 0.00 1.10 0.00 0.00 33.01 30.90 3g3i s GLN 207 CO -0.08 0.24 -0.11 0.42 -0.55 0.00 0.00 175.29 175.21 3g3i s ILE 208 N -0.95 3.04 0.00 -2.34 -1.09 0.12 -4.94 121.20 115.04 3g3i s ILE 208 Ca 0.45 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 3g3i s ILE 208 Cb -0.30 -2.31 0.00 0.00 -1.58 0.00 0.00 42.46 38.27 3g3i s ILE 208 CO 0.38 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 175.19 3g3i n GLY 209 N 4.01 -1.55 0.00 6.18 0.00 -1.20 -3.63 105.19 109.00 3g3i n GLY 209 Ca -0.18 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3g3i n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3i n GLY 210 N 0.00 1.78 3.71 -0.02 0.00 -1.26 -4.89 105.19 104.51 3g3i n GLY 210 Ca 0.00 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 3g3i n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g3i s LEU 211 N 0.00 4.29 0.23 0.99 1.02 -1.26 -4.53 118.68 119.42 3g3i s LEU 211 Ca 0.00 1.18 0.13 0.00 0.02 0.00 0.00 54.13 55.46 3g3i s LEU 211 Cb 0.00 -3.10 -0.01 0.00 0.02 0.00 0.00 46.19 43.10 3g3i s LEU 211 CO 0.00 -0.16 1.39 0.40 0.02 0.00 0.00 176.35 177.99 3g3i h ILE 212 N 4.84 1.07 -2.95 -0.59 2.04 -0.97 -3.48 117.51 117.47 3g3i h ILE 212 Ca -0.39 -2.51 -0.12 0.00 1.00 0.00 0.00 64.86 62.83 3g3i h ILE 212 Cb 1.19 2.52 -0.03 0.00 -0.74 0.00 0.00 36.82 39.76 3g3i h ILE 212 CO 0.76 0.61 -0.05 -0.90 0.00 0.00 0.00 178.15 178.58 3g3i n ASP 213 N -3.25 -0.75 -3.83 1.72 5.75 -1.26 -4.96 116.55 109.97 3g3i n ASP 213 Ca 0.01 -1.94 -0.17 0.00 -0.01 0.00 0.00 54.79 52.69 3g3i n ASP 213 Cb 0.79 1.37 -0.16 0.00 -1.03 0.00 0.00 41.12 42.09 3g3i n ASP 213 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3g3i s SER 214 N -2.09 0.41 0.27 -1.12 0.15 -1.26 -4.24 113.70 105.82 3g3i s SER 214 Ca 0.14 -0.03 -0.16 0.00 0.70 0.00 0.00 55.95 56.60 3g3i s SER 214 Cb -0.01 -0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 3g3i s SER 214 CO 0.10 -0.08 0.59 -1.59 1.20 0.00 0.00 173.24 173.46 3g3i s LYS 215 N 0.88 1.69 0.25 5.44 -2.85 -0.39 -4.99 119.74 119.78 3g3i s LYS 215 Ca -0.09 -1.18 0.11 0.00 -1.00 0.00 0.00 55.97 53.81 3g3i s LYS 215 Cb -0.12 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 36.13 3g3i s LYS 215 CO -0.01 -0.74 -0.12 0.20 0.10 0.00 0.00 175.35 174.78 3g3i s GLY 216 N -2.99 1.77 -0.06 0.59 0.00 -1.26 -0.85 107.32 104.52 3g3i s GLY 216 Ca 0.18 -1.72 -0.13 0.00 0.00 0.00 0.00 44.72 43.05 3g3i s GLY 216 CO 0.09 -1.78 0.34 -0.19 0.00 0.00 0.00 173.10 171.55 3g3i s TYR 217 N -2.25 3.64 0.13 1.90 2.02 -0.38 -0.86 117.35 121.55 3g3i s TYR 217 Ca 0.29 0.83 0.00 0.00 -0.37 0.00 0.00 57.07 57.82 3g3i s TYR 217 Cb -0.06 -2.25 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 3g3i s TYR 217 CO 0.16 0.56 0.01 0.20 -1.57 0.00 0.00 175.55 174.91 3g3i s GLY 218 N -0.69 0.95 -0.00 0.71 0.00 -0.86 -0.83 107.32 106.59 3g3i s GLY 218 Ca 0.21 -1.45 -0.30 0.00 0.00 0.00 0.00 44.72 43.18 3g3i s GLY 218 CO 0.10 -1.42 1.14 0.14 0.00 0.00 0.00 173.10 173.05 3g3i s VAL 219 N -3.83 4.33 0.22 1.40 1.01 -1.26 -4.44 120.40 117.83 3g3i s VAL 219 Ca 0.19 1.66 -0.18 0.00 0.00 0.00 0.00 61.98 63.66 3g3i s VAL 219 Cb 0.07 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.30 3g3i s VAL 219 CO -0.00 0.08 0.70 -0.83 0.00 0.00 0.00 175.10 175.04 3g3i s GLY 220 N 1.19 2.55 0.06 4.51 0.00 -0.60 -0.96 107.32 114.07 3g3i s GLY 220 Ca 0.56 0.10 -0.01 0.00 0.00 0.00 0.00 44.72 45.36 3g3i s GLY 220 CO 0.26 0.42 -0.02 -0.51 0.00 0.00 0.00 173.10 173.24 3g3i s THR 221 N -1.58 0.24 0.73 0.90 -4.23 -0.11 -0.75 115.64 110.84 3g3i s THR 221 Ca 0.44 -1.83 -0.15 0.00 -1.18 0.00 0.00 61.69 58.97 3g3i s THR 221 Cb -0.15 -1.58 0.04 0.00 1.34 0.00 0.00 72.50 72.14 3g3i s THR 221 CO 0.20 -0.94 1.23 -2.84 -0.54 0.00 0.00 174.62 171.73 3g3i s PRO 222 N -3.93 2.13 0.17 3.99 0.02 -1.26 -1.26 135.00 134.86 3g3i s PRO 222 Ca 0.09 1.84 -0.34 0.00 0.02 0.00 0.00 61.00 62.61 3g3i s PRO 222 Cb 0.08 -1.82 -0.14 0.00 0.02 0.00 0.00 34.50 32.63 3g3i s PRO 222 CO -0.09 -1.86 1.48 -0.12 -0.33 0.00 0.00 177.00 176.09 3g3i n MET 223 N -2.64 1.92 -0.41 5.54 0.00 -1.26 -1.50 117.12 118.76 3g3i n MET 223 Ca 0.14 0.69 0.00 0.00 -0.00 0.00 0.00 57.70 58.53 3g3i n MET 223 Cb 0.50 -2.40 0.00 0.00 0.00 0.00 0.00 33.22 31.31 3g3i n MET 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3g3i n GLY 224 N 2.94 1.19 3.76 -5.12 0.00 -1.26 -4.96 105.19 101.73 3g3i n GLY 224 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3g3i n GLY 224 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g3i s SER 225 N -3.09 6.50 0.30 1.61 0.15 -0.56 -4.89 113.70 113.72 3g3i s SER 225 Ca 0.00 2.87 0.25 0.00 0.70 0.00 0.00 55.95 59.77 3g3i s SER 225 Cb 0.00 -2.65 1.00 0.00 -1.71 0.00 0.00 66.02 62.66 3g3i s SER 225 CO 0.00 -0.78 1.76 1.55 1.20 0.00 0.00 173.24 176.97 3g3i h PRO 226 N 4.04 0.00 0.00 5.44 0.13 -1.96 -2.88 132.00 136.78 3g3i h PRO 226 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 3g3i h PRO 226 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3g3i h PRO 226 CO 0.72 0.00 -0.19 1.88 -0.23 0.00 0.00 178.00 180.17 3g3i h TYR 227 N 0.00 0.00 0.14 1.56 0.05 -1.97 -3.32 116.97 113.44 3g3i h TYR 227 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 3g3i h TYR 227 Cb 0.46 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.16 3g3i h TYR 227 CO 0.00 0.19 -0.36 -0.09 -1.05 0.00 0.00 178.16 176.86 3g3i h ARG 228 N 0.00 -0.58 -0.00 4.88 2.43 -1.90 -0.20 114.38 119.01 3g3i h ARG 228 Ca -0.00 0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 3g3i h ARG 228 Cb 0.61 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 3g3i h ARG 228 CO 0.03 -0.39 -0.62 -0.44 -1.51 0.00 0.00 179.97 177.03 3g3i h ASP 229 N -0.60 0.01 -0.42 -3.80 3.32 -1.80 -1.58 116.42 111.55 3g3i h ASP 229 Ca 0.02 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 3g3i h ASP 229 Cb 0.62 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3g3i h ASP 229 CO -0.20 0.63 -0.20 0.11 -1.72 0.00 0.00 179.24 177.86 3g3i h LYS 230 N 0.01 0.92 -0.22 3.56 1.57 -1.59 -2.02 116.57 118.79 3g3i h LYS 230 Ca -0.01 -0.38 -0.18 0.00 -1.87 0.00 0.00 60.65 58.21 3g3i h LYS 230 Cb 1.11 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 3g3i h LYS 230 CO 0.08 1.03 -0.59 0.82 -0.57 0.00 0.00 179.45 180.22 3g3i h ILE 231 N 0.80 1.30 -0.46 1.86 2.04 -0.85 -1.76 117.51 120.43 3g3i h ILE 231 Ca 0.11 -1.81 0.08 0.00 1.00 0.00 0.00 64.86 64.24 3g3i h ILE 231 Cb 0.76 1.75 -0.07 0.00 -0.74 0.00 0.00 36.82 38.52 3g3i h ILE 231 CO 0.06 0.58 0.05 0.74 0.00 0.00 0.00 178.15 179.58 3g3i h THR 232 N 0.55 0.70 -0.65 -0.27 2.02 -1.15 0.04 112.91 114.16 3g3i h THR 232 Ca 0.00 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3g3i h THR 232 Cb 1.18 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 3g3i h THR 232 CO 0.12 0.03 0.36 -0.07 0.37 0.00 0.00 175.52 176.33 3g3i h LEU 233 N 0.18 0.80 -0.68 2.58 3.38 -1.10 -1.03 115.31 119.44 3g3i h LEU 233 Ca 0.23 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3g3i h LEU 233 Cb 0.32 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3g3i h LEU 233 CO -0.33 0.66 0.14 0.00 0.09 0.00 0.00 178.44 179.00 3g3i h ALA 234 N 1.17 0.90 -0.55 1.53 0.00 -0.85 -1.32 119.26 120.14 3g3i h ALA 234 Ca 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3g3i h ALA 234 Cb 0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3g3i h ALA 234 CO -0.04 0.64 0.33 0.82 0.00 0.00 0.00 179.25 181.00 3g3i h ILE 235 N 1.03 1.17 -0.88 0.00 2.04 -0.68 -0.55 117.51 119.65 3g3i h ILE 235 Ca 0.21 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3g3i h ILE 235 Cb 0.41 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3g3i h ILE 235 CO 0.01 0.17 0.55 -0.07 0.00 0.00 0.00 178.15 178.82 3g3i h LEU 236 N 0.74 1.03 -0.29 1.44 3.38 -0.83 -0.50 115.31 120.28 3g3i h LEU 236 Ca 0.20 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 3g3i h LEU 236 Cb -0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3g3i h LEU 236 CO -0.04 0.77 0.01 0.50 0.09 0.00 0.00 178.44 179.78 3g3i h LYS 237 N 1.20 0.50 -0.68 1.13 3.64 -0.91 -1.71 116.57 119.75 3g3i h LYS 237 Ca 0.32 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3g3i h LYS 237 Cb -0.09 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3g3i h LYS 237 CO -0.06 0.64 0.36 -0.07 -2.27 0.00 0.00 179.45 178.05 3g3i h LEU 238 N 0.30 0.84 -0.02 5.20 3.38 -0.77 -1.58 115.31 122.67 3g3i h LEU 238 Ca 0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3g3i h LEU 238 Cb 0.41 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3g3i h LEU 238 CO 0.01 0.69 0.01 -0.61 0.09 0.00 0.00 178.44 178.62 3g3i h GLN 239 N 0.94 0.03 -0.08 1.13 -0.00 -0.94 -0.46 115.11 115.72 3g3i h GLN 239 Ca 0.24 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 58.81 3g3i h GLN 239 Cb 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.50 3g3i h GLN 239 CO -0.04 0.23 -0.29 0.93 0.00 0.00 0.00 178.83 179.66 3g3i h GLU 240 N -0.17 0.15 0.00 1.69 5.08 -0.98 -0.79 114.58 119.55 3g3i h GLU 240 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3g3i h GLU 240 Cb 0.21 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3g3i h GLU 240 CO -0.00 0.43 0.00 0.39 -1.00 0.00 0.00 179.01 178.83 3g3i n GLU 241 N -4.15 0.32 -0.65 2.33 1.02 -0.62 -4.91 120.64 113.97 3g3i n GLU 241 Ca -0.01 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3g3i n GLU 241 Cb 0.37 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 3g3i n GLU 241 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3i n GLY 242 N 1.21 0.71 0.12 0.62 0.00 -0.30 -4.96 105.19 102.59 3g3i n GLY 242 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3g3i n GLY 242 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3i h LYS 243 N 2.47 0.20 -0.32 1.61 1.79 -1.27 -2.05 116.57 119.01 3g3i h LYS 243 Ca 0.00 -0.23 -0.11 0.00 -2.18 0.00 0.00 60.65 58.13 3g3i h LYS 243 Cb 0.00 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 3g3i h LYS 243 CO 0.00 0.98 -0.26 -0.07 -1.08 0.00 0.00 179.45 179.02 3g3i h LEU 244 N 0.11 0.65 -0.44 2.94 3.38 -1.81 -0.80 115.31 119.34 3g3i h LEU 244 Ca -0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 3g3i h LEU 244 Cb 1.55 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 3g3i h LEU 244 CO 0.14 0.89 0.12 -0.74 0.09 0.00 0.00 178.44 178.94 3g3i h HIS 245 N 0.55 0.73 -0.78 1.13 2.76 -1.85 -0.97 115.15 116.72 3g3i h HIS 245 Ca 0.07 -0.08 0.02 0.00 -2.20 0.00 0.00 60.37 58.18 3g3i h HIS 245 Cb 0.74 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.45 3g3i h HIS 245 CO 0.03 0.66 0.50 0.52 -1.30 0.00 0.00 177.93 178.35 3g3i h MET 246 N 0.58 0.97 -0.52 5.26 2.86 -1.09 -1.15 114.93 121.85 3g3i h MET 246 Ca 0.14 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.64 3g3i h MET 246 Cb 0.29 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3g3i h MET 246 CO -0.00 0.64 -0.02 0.52 1.06 0.00 0.00 176.91 179.11 3g3i h MET 247 N 1.00 0.89 -0.30 1.72 2.07 -0.86 -1.10 114.93 118.35 3g3i h MET 247 Ca 0.30 -0.27 -0.03 0.00 -2.07 0.00 0.00 59.70 57.63 3g3i h MET 247 Cb -0.05 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 29.58 3g3i h MET 247 CO -0.09 0.90 0.07 -0.22 1.07 0.00 0.00 176.91 178.64 3g3i h LYS 248 N 0.82 0.49 -0.87 1.72 1.63 -0.86 -2.10 116.57 117.41 3g3i h LYS 248 Ca 0.15 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 3g3i h LYS 248 Cb 0.52 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.05 3g3i h LYS 248 CO 0.03 0.57 0.56 1.49 -3.45 0.00 0.00 179.45 178.65 3g3i h GLU 249 N 0.33 1.15 -0.55 1.90 4.81 -1.01 0.49 114.58 121.71 3g3i h GLU 249 Ca 0.09 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3g3i h GLU 249 Cb 0.30 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3g3i h GLU 249 CO 0.00 0.78 0.32 -0.22 -0.73 0.00 0.00 179.01 179.16 3g3i h LYS 250 N 1.18 0.76 0.00 1.92 3.64 -0.89 -1.07 116.57 122.11 3g3i h LYS 250 Ca 0.32 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3g3i h LYS 250 Cb -0.11 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.55 3g3i h LYS 250 CO -0.07 0.56 -1.09 0.91 -2.27 0.00 0.00 179.45 177.49 3g3i n TRP 251 N -4.64 0.79 1.01 1.91 7.02 -0.82 -3.87 117.44 118.84 3g3i n TRP 251 Ca 0.03 0.23 0.10 0.00 -1.02 0.00 0.00 57.50 56.84 3g3i n TRP 251 Cb 0.07 -0.85 -0.06 0.00 -2.42 0.00 0.00 31.31 28.05 3g3i n TRP 251 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3g3i n TRP 252 N -2.54 0.00 -2.12 -5.99 8.01 0.13 -4.84 117.44 110.09 3g3i n TRP 252 Ca -0.00 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.80 3g3i n TRP 252 Cb 0.54 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.31 29.81 3g3i n TRP 252 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.69 177.18 3g3i s ARG 253 N -2.85 3.91 0.00 -0.99 3.52 -0.41 -5.02 118.95 117.12 3g3i s ARG 253 Ca 0.11 2.04 0.00 0.00 -0.13 0.00 0.00 55.73 57.75 3g3i s ARG 253 Cb 0.17 -2.66 0.00 0.00 -1.56 0.00 0.00 34.95 30.89 3g3i s ARG 253 CO 0.77 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 175.17 3g3i n GLY 254 N 0.64 -0.48 0.00 8.12 0.00 -1.26 -5.04 105.19 107.17 3g3i n GLY 254 Ca 0.05 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.65 3g3i n GLY 254 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3i n GLY 256 N 0.00 0.15 0.00 -0.02 0.00 -1.25 -5.13 105.19 98.93 3g3i n GLY 256 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3g3i n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32