#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3j s ARG 4 N 0.00 4.22 0.17 1.20 3.52 -1.26 -4.86 118.95 121.94 3g3j s ARG 4 Ca 0.00 2.38 -0.30 0.00 -0.13 0.00 0.00 55.73 57.68 3g3j s ARG 4 Cb 0.00 -3.10 -0.08 0.00 -1.56 0.00 0.00 34.95 30.20 3g3j s ARG 4 CO 0.00 -0.53 1.31 -1.12 -0.81 0.00 0.00 175.30 174.15 3g3j s SER 5 N 0.63 6.91 0.27 -2.12 0.01 -1.26 -4.67 113.70 113.47 3g3j s SER 5 Ca 0.64 2.34 -0.29 0.00 1.31 0.00 0.00 55.95 59.94 3g3j s SER 5 Cb -0.44 -2.60 -0.10 0.00 0.21 0.00 0.00 66.02 63.09 3g3j s SER 5 CO 0.40 -0.54 1.28 -0.76 0.41 0.00 0.00 173.24 174.03 3g3j s LEU 6 N 0.24 4.44 -0.20 2.44 1.43 0.10 -4.77 118.68 122.37 3g3j s LEU 6 Ca 0.58 2.50 -0.25 0.00 -1.03 0.00 0.00 54.13 55.93 3g3j s LEU 6 Cb -0.36 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.22 3g3j s LEU 6 CO 0.36 -0.47 0.82 -0.63 0.23 0.00 0.00 176.35 176.66 3g3j s ILE 7 N -0.60 4.87 -0.25 -0.59 -1.09 -1.26 -0.81 121.20 121.47 3g3j s ILE 7 Ca 0.52 1.59 -0.03 0.00 -2.23 0.00 0.00 60.65 60.49 3g3j s ILE 7 Cb -0.37 -4.12 0.02 0.00 -1.58 0.00 0.00 42.46 36.40 3g3j s ILE 7 CO 0.45 -0.00 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.43 3g3j s VAL 8 N 2.38 3.16 0.23 2.92 1.01 -0.23 -0.24 120.40 129.63 3g3j s VAL 8 Ca 0.37 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.30 3g3j s VAL 8 Cb -0.16 -2.58 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 3g3j s VAL 8 CO 0.10 0.22 0.71 0.28 0.00 0.00 0.00 175.10 176.41 3g3j s THR 9 N 1.39 4.62 0.25 3.92 -1.32 0.02 -0.76 115.64 123.75 3g3j s THR 9 Ca 0.02 1.18 -0.07 0.00 -1.21 0.00 0.00 61.69 61.61 3g3j s THR 9 Cb -0.16 -3.81 0.03 0.00 -1.51 0.00 0.00 72.50 67.05 3g3j s THR 9 CO -0.03 0.15 0.44 1.07 -2.21 0.00 0.00 174.62 174.04 3g3j n THR 10 N 0.57 0.00 -3.77 5.08 5.66 -1.01 -1.89 114.28 118.91 3g3j n THR 10 Ca -0.02 -0.82 -0.13 0.00 -3.05 0.00 0.00 64.05 60.03 3g3j n THR 10 Cb 0.51 0.67 -0.09 0.00 -1.55 0.00 0.00 70.33 69.87 3g3j n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3g3j s ILE 11 N -2.51 0.05 0.00 1.09 2.07 -1.26 -0.75 121.20 119.88 3g3j s ILE 11 Ca 0.13 -0.40 -0.30 0.00 -1.41 0.00 0.00 60.65 58.67 3g3j s ILE 11 Cb -0.02 -0.56 -0.05 0.00 0.13 0.00 0.00 42.46 41.96 3g3j s ILE 11 CO 0.10 -0.22 1.26 -0.76 -1.91 0.00 0.00 174.94 173.41 3g3j s LEU 12 N -1.03 4.32 -0.30 8.50 1.43 -1.26 -4.60 118.68 125.73 3g3j s LEU 12 Ca -0.11 1.97 -0.03 0.00 -1.03 0.00 0.00 54.13 54.93 3g3j s LEU 12 Cb -0.05 -3.57 0.19 0.00 0.03 0.00 0.00 46.19 42.79 3g3j s LEU 12 CO 0.03 -0.59 0.72 -0.70 0.23 0.00 0.00 176.35 176.05 3g3j s GLU 13 N 1.88 0.46 0.29 1.70 2.56 -0.09 -4.98 118.70 120.52 3g3j s GLU 13 Ca 0.59 0.73 -0.29 0.00 0.00 0.00 0.00 54.97 56.00 3g3j s GLU 13 Cb -0.28 0.40 -0.10 0.00 2.00 0.00 0.00 34.13 36.15 3g3j s GLU 13 CO 0.26 -0.58 1.23 -2.00 -0.56 0.00 0.00 175.26 173.60 3g3j s GLU 14 N 2.88 4.47 -0.26 4.30 2.12 -1.25 -0.66 118.70 130.30 3g3j s GLU 14 Ca 0.15 2.03 0.13 0.00 0.36 0.00 0.00 54.97 57.64 3g3j s GLU 14 Cb -0.12 -3.14 0.80 0.00 0.26 0.00 0.00 34.13 31.93 3g3j s GLU 14 CO -0.20 -0.05 1.76 -0.35 -0.54 0.00 0.00 175.26 175.89 3g3j n PRO 15 N 1.26 4.57 -0.01 4.30 -0.04 -1.26 -4.91 135.00 138.90 3g3j n PRO 15 Ca 0.01 -3.15 -0.17 0.00 -0.04 0.00 0.00 63.50 60.15 3g3j n PRO 15 Cb 0.43 -2.25 -0.11 0.00 -0.04 0.00 0.00 33.50 31.53 3g3j n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3g3j h TYR 16 N 3.60 0.51 -2.84 0.54 -1.99 -1.23 -1.35 116.97 114.21 3g3j h TYR 16 Ca 0.07 -0.27 -0.21 0.00 2.00 0.00 0.00 58.73 60.33 3g3j h TYR 16 Cb 2.07 -0.06 -0.32 0.00 2.00 0.00 0.00 36.73 40.42 3g3j h TYR 16 CO 1.14 1.08 -0.52 0.08 -0.00 0.00 0.00 178.16 179.94 3g3j s VAL 17 N -3.24 -0.42 0.05 -2.88 1.01 -0.44 -0.67 120.40 113.82 3g3j s VAL 17 Ca -0.14 0.27 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 3g3j s VAL 17 Cb 0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.92 3g3j s VAL 17 CO 0.80 0.11 -0.04 -0.76 0.00 0.00 0.00 175.10 175.21 3g3j s LEU 18 N 2.40 2.42 0.03 3.92 1.02 0.31 -0.91 118.68 127.87 3g3j s LEU 18 Ca 0.01 -0.85 -0.30 0.00 0.02 0.00 0.00 54.13 53.00 3g3j s LEU 18 Cb -0.12 0.10 -0.04 0.00 0.02 0.00 0.00 46.19 46.15 3g3j s LEU 18 CO -0.09 -0.48 1.10 -0.36 0.02 0.00 0.00 176.35 176.54 3g3j s PHE 19 N -3.10 3.53 0.34 0.29 2.99 -1.26 -0.98 117.98 119.79 3g3j s PHE 19 Ca 0.01 1.48 -0.28 0.00 0.00 0.00 0.00 56.93 58.15 3g3j s PHE 19 Cb 0.02 -3.28 -0.12 0.00 0.00 0.00 0.00 43.02 39.64 3g3j s PHE 19 CO -0.06 -0.68 1.34 1.63 -0.00 0.00 0.00 175.22 177.45 3g3j n LYS 20 N 3.98 2.24 -2.80 0.44 5.02 0.05 -4.89 118.16 122.20 3g3j n LYS 20 Ca 0.08 0.79 -0.41 0.00 -2.02 0.00 0.00 58.31 56.74 3g3j n LYS 20 Cb 0.48 -2.40 -0.04 0.00 -0.02 0.00 0.00 35.03 33.05 3g3j n LYS 20 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3g3j s LYS 21 N -1.78 4.57 -0.03 1.97 1.02 -1.26 -5.00 119.74 119.22 3g3j s LYS 21 Ca 0.56 1.31 -0.30 0.00 0.02 0.00 0.00 55.97 57.56 3g3j s LYS 21 Cb -0.55 -3.43 0.11 0.00 -0.52 0.00 0.00 37.83 33.44 3g3j s LYS 21 CO 0.61 0.07 0.94 -1.54 -0.92 0.00 0.00 175.35 174.52 3g3j s SER 22 N 0.61 -0.32 -0.07 2.83 1.04 -1.26 -5.05 113.70 111.48 3g3j s SER 22 Ca 0.47 -0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.72 3g3j s SER 22 Cb -0.21 0.34 -0.30 0.00 0.10 0.00 0.00 66.02 65.96 3g3j s SER 22 CO 0.26 -0.56 0.71 0.44 0.98 0.00 0.00 173.24 175.08 3g3j h ASP 23 N 2.00 0.47 -3.94 7.02 3.32 -2.07 -3.46 116.42 119.77 3g3j h ASP 23 Ca -0.20 -0.90 -0.52 0.00 0.02 0.00 0.00 57.03 55.43 3g3j h ASP 23 Cb 1.23 -0.15 0.08 0.00 0.22 0.00 0.00 39.33 40.70 3g3j h ASP 23 CO 0.29 1.57 0.60 -0.54 -1.72 0.00 0.00 179.24 179.44 3g3j s LYS 24 N -2.48 4.00 0.47 3.56 1.02 -1.26 -4.97 119.74 120.09 3g3j s LYS 24 Ca -0.17 2.11 -0.24 0.00 0.02 0.00 0.00 55.97 57.69 3g3j s LYS 24 Cb 0.03 -2.76 -0.07 0.00 -0.52 0.00 0.00 37.83 34.51 3g3j s LYS 24 CO 0.81 -0.45 1.32 -1.25 -0.92 0.00 0.00 175.35 174.87 3g3j s PRO 25 N -2.22 3.58 0.17 -1.68 0.04 -1.26 -5.03 135.00 128.61 3g3j s PRO 25 Ca 0.56 2.17 0.07 0.00 0.04 0.00 0.00 61.00 63.85 3g3j s PRO 25 Cb -0.37 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.63 3g3j s PRO 25 CO 0.47 -0.82 0.02 -0.51 0.04 0.00 0.00 177.00 176.21 3g3j s LEU 26 N -2.98 3.40 0.07 -3.56 1.43 -1.26 -5.13 118.68 110.64 3g3j s LEU 26 Ca 0.64 -0.35 0.05 0.00 -1.03 0.00 0.00 54.13 53.44 3g3j s LEU 26 Cb -0.38 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.77 3g3j s LEU 26 CO 0.48 0.09 -0.14 -0.31 0.23 0.00 0.00 176.35 176.69 3g3j s TYR 27 N -1.73 1.19 0.00 0.29 2.02 -1.26 -4.80 117.35 113.06 3g3j s TYR 27 Ca 0.28 -0.45 0.00 0.00 -0.37 0.00 0.00 57.07 56.53 3g3j s TYR 27 Cb -0.09 -0.68 0.00 0.00 -0.40 0.00 0.00 41.96 40.79 3g3j s TYR 27 CO 0.19 0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.63 3g3j n GLY 28 N 1.37 2.77 0.26 0.71 0.00 -1.26 -2.43 105.19 106.60 3g3j n GLY 28 Ca -0.21 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.55 3g3j n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3g3j h ASN 29 N 9.77 0.00 0.24 1.61 2.35 -1.93 -2.41 115.58 125.21 3g3j h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3g3j h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3g3j h ASN 29 CO 0.00 0.13 0.00 -0.67 -1.65 0.00 0.00 177.43 175.24 3g3j n ASP 30 N -3.47 0.59 0.27 5.81 2.03 -1.02 -2.27 116.55 118.48 3g3j n ASP 30 Ca -0.01 0.73 0.16 0.00 0.52 0.00 0.00 54.79 56.18 3g3j n ASP 30 Cb 0.29 -0.82 0.64 0.00 -0.72 0.00 0.00 41.12 40.51 3g3j n ASP 30 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 3g3j h ARG 31 N 0.00 0.00 -6.46 -0.67 3.08 -1.52 -3.45 114.38 105.35 3g3j h ARG 31 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 3g3j h ARG 31 Cb 0.12 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.03 3g3j h ARG 31 CO 0.00 0.05 -0.70 -0.06 -1.07 0.00 0.00 179.97 178.19 3g3j s PHE 32 N -3.68 2.84 0.24 3.04 0.08 -0.96 -0.77 117.98 118.77 3g3j s PHE 32 Ca 0.01 -0.11 -0.10 0.00 0.12 0.00 0.00 56.93 56.85 3g3j s PHE 32 Cb 0.09 -1.47 -0.01 0.00 -0.57 0.00 0.00 43.02 41.06 3g3j s PHE 32 CO 0.56 0.45 0.42 -1.83 -0.10 0.00 0.00 175.22 174.72 3g3j s GLU 33 N -2.30 1.50 0.00 0.44 -1.05 -0.15 -4.78 118.70 112.36 3g3j s GLU 33 Ca 0.24 -1.35 0.00 0.00 -0.15 0.00 0.00 54.97 53.71 3g3j s GLU 33 Cb -0.11 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 3g3j s GLU 33 CO 0.16 -0.61 0.00 0.41 0.95 0.00 0.00 175.26 176.17 3g3j n GLY 34 N -0.37 2.13 0.18 -3.83 0.00 -1.26 -0.53 105.19 101.52 3g3j n GLY 34 Ca -0.01 -1.94 -0.04 0.00 0.00 0.00 0.00 46.02 44.04 3g3j n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3g3j h TYR 35 N 0.00 0.18 0.00 1.61 3.20 -0.88 -0.16 116.97 120.93 3g3j h TYR 35 Ca 0.00 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 3g3j h TYR 35 Cb 0.00 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3g3j h TYR 35 CO 0.00 0.03 -0.34 0.00 -1.64 0.00 0.00 178.16 176.21 3g3j h ILE 37 N 0.00 1.31 -0.79 0.00 1.08 -1.38 -0.06 117.51 117.67 3g3j h ILE 37 Ca -0.00 -1.69 -0.02 0.00 -0.39 0.00 0.00 64.86 62.75 3g3j h ILE 37 Cb 0.81 1.82 -0.04 0.00 -3.07 0.00 0.00 36.82 36.34 3g3j h ILE 37 CO 0.04 0.53 0.41 0.44 -0.69 0.00 0.00 178.15 178.89 3g3j h ASP 38 N 0.43 1.00 -0.13 1.72 3.32 -0.74 -1.16 116.42 120.86 3g3j h ASP 38 Ca 0.00 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 3g3j h ASP 38 Cb 1.09 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3g3j h ASP 38 CO 0.11 0.82 0.07 0.25 -1.72 0.00 0.00 179.24 178.77 3g3j h LEU 39 N 1.11 0.16 -0.72 1.55 5.85 -1.00 -1.68 115.31 120.59 3g3j h LEU 39 Ca 0.28 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.97 3g3j h LEU 39 Cb 0.06 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3g3j h LEU 39 CO -0.04 0.20 0.42 0.25 -0.34 0.00 0.00 178.44 178.92 3g3j h LEU 40 N 0.12 0.63 -0.50 2.25 5.85 -0.73 0.97 115.31 123.89 3g3j h LEU 40 Ca 0.05 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3g3j h LEU 40 Cb 0.07 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 3g3j h LEU 40 CO -0.01 0.41 0.31 -0.09 -0.34 0.00 0.00 178.44 178.72 3g3j h ARG 41 N 0.77 0.68 -0.62 1.25 2.43 -0.96 0.32 114.38 118.25 3g3j h ARG 41 Ca 0.32 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.39 3g3j h ARG 41 Cb 0.17 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3g3j h ARG 41 CO -0.17 0.49 0.26 0.93 -1.51 0.00 0.00 179.97 179.97 3g3j h GLU 42 N 0.67 0.91 -0.73 0.20 4.39 -0.58 -2.17 114.58 117.28 3g3j h GLU 42 Ca 0.18 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3g3j h GLU 42 Cb -0.01 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 3g3j h GLU 42 CO -0.03 0.77 0.48 -0.07 -1.16 0.00 0.00 179.01 178.99 3g3j h LEU 43 N 0.85 0.85 -0.96 1.33 3.38 -0.36 -1.41 115.31 118.99 3g3j h LEU 43 Ca 0.21 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3g3j h LEU 43 Cb 0.18 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3g3j h LEU 43 CO -0.02 0.62 0.23 0.77 0.09 0.00 0.00 178.44 180.13 3g3j h SER 44 N 0.99 0.91 0.79 -0.43 4.64 -0.61 0.48 113.55 120.33 3g3j h SER 44 Ca 0.27 -0.14 -0.25 0.00 -0.47 0.00 0.00 61.79 61.20 3g3j h SER 44 Cb -0.10 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.74 3g3j h SER 44 CO -0.06 0.84 -1.18 0.71 -0.87 0.00 0.00 176.83 176.27 3g3j h THR 45 N 0.96 1.53 -0.08 2.95 1.35 -1.21 0.64 112.91 119.05 3g3j h THR 45 Ca 0.22 -3.20 -0.18 0.00 -0.55 0.00 0.00 66.41 62.70 3g3j h THR 45 Cb 0.24 2.84 -0.00 0.00 -1.73 0.00 0.00 68.15 69.49 3g3j h THR 45 CO -0.01 0.90 -0.72 0.45 -0.25 0.00 0.00 175.52 175.89 3g3j h HIS 46 N 0.03 0.55 0.00 4.73 -0.00 -1.07 -3.29 115.15 116.10 3g3j h HIS 46 Ca -0.09 -0.24 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 3g3j h HIS 46 Cb 1.88 -0.09 0.00 0.00 -0.00 0.00 0.00 27.41 29.20 3g3j h HIS 46 CO 0.03 0.99 -0.98 1.28 -0.00 0.00 0.00 177.93 179.25 3g3j n LEU 47 N -3.84 0.91 -2.10 2.43 4.77 0.14 -5.01 117.00 114.30 3g3j n LEU 47 Ca -0.04 -0.48 -0.06 0.00 -0.03 0.00 0.00 56.01 55.39 3g3j n LEU 47 Cb 0.70 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.82 3g3j n LEU 47 CO 0.48 0.23 0.03 0.61 -1.33 0.00 0.00 177.39 177.40 3g3j n GLY 48 N 1.47 0.10 3.24 -0.72 0.00 0.14 -5.04 105.19 104.37 3g3j n GLY 48 Ca 0.04 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 3g3j n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3g3j s PHE 49 N -3.15 1.27 0.33 1.61 -0.12 -0.72 -5.05 117.98 112.14 3g3j s PHE 49 Ca 0.10 -0.73 0.07 0.00 -0.05 0.00 0.00 56.93 56.33 3g3j s PHE 49 Cb -0.01 -0.65 -0.03 0.00 -0.63 0.00 0.00 43.02 41.70 3g3j s PHE 49 CO 0.30 0.09 0.30 0.95 -0.05 0.00 0.00 175.22 176.80 3g3j s THR 50 N -3.13 3.66 0.13 -4.49 -4.23 -1.26 -4.65 115.64 101.66 3g3j s THR 50 Ca 0.15 -1.34 -0.19 0.00 -1.18 0.00 0.00 61.69 59.13 3g3j s THR 50 Cb 0.01 -3.22 0.05 0.00 1.34 0.00 0.00 72.50 70.68 3g3j s THR 50 CO 0.01 -0.19 0.49 -0.72 -0.54 0.00 0.00 174.62 173.67 3g3j s TYR 51 N -2.28 -0.35 -0.13 3.99 -0.85 -1.26 -0.72 117.35 115.75 3g3j s TYR 51 Ca 0.40 0.11 -0.00 0.00 -0.52 0.00 0.00 57.07 57.06 3g3j s TYR 51 Cb -0.06 0.38 0.02 0.00 0.38 0.00 0.00 41.96 42.68 3g3j s TYR 51 CO 0.27 -0.75 -0.11 -2.00 -1.52 0.00 0.00 175.55 171.44 3g3j s GLU 52 N -3.65 1.91 0.00 -3.49 2.12 0.01 -4.86 118.70 110.75 3g3j s GLU 52 Ca 0.01 -0.42 -0.29 0.00 0.36 0.00 0.00 54.97 54.63 3g3j s GLU 52 Cb 0.01 -1.87 -0.03 0.00 0.26 0.00 0.00 34.13 32.49 3g3j s GLU 52 CO -0.11 -0.26 0.95 0.42 -0.54 0.00 0.00 175.26 175.71 3g3j s ILE 53 N 1.59 4.85 -0.06 -3.70 1.01 -1.26 -1.07 121.20 122.56 3g3j s ILE 53 Ca 0.05 2.00 -0.00 0.00 0.00 0.00 0.00 60.65 62.69 3g3j s ILE 53 Cb -0.13 -4.29 0.03 0.00 0.01 0.00 0.00 42.46 38.08 3g3j s ILE 53 CO -0.09 0.19 -0.02 -0.13 0.00 0.00 0.00 174.94 174.88 3g3j s ARG 54 N 0.88 0.76 0.24 2.79 0.52 0.06 -4.87 118.95 119.33 3g3j s ARG 54 Ca 0.50 0.00 -0.30 0.00 -0.52 0.00 0.00 55.73 55.41 3g3j s ARG 54 Cb -0.21 -0.97 -0.10 0.00 0.52 0.00 0.00 34.95 34.19 3g3j s ARG 54 CO 0.27 -0.22 1.47 -0.51 0.02 0.00 0.00 175.30 176.34 3g3j s LEU 55 N 1.55 4.38 -0.01 2.53 1.43 -1.26 -2.41 118.68 124.89 3g3j s LEU 55 Ca -0.01 2.69 -0.35 0.00 -1.03 0.00 0.00 54.13 55.44 3g3j s LEU 55 Cb -0.13 -3.62 -0.13 0.00 0.03 0.00 0.00 46.19 42.34 3g3j s LEU 55 CO -0.04 -0.74 1.75 0.55 0.23 0.00 0.00 176.35 178.10 3g3j n VAL 56 N 2.52 0.35 -0.27 -1.59 3.14 0.07 -4.86 118.33 117.68 3g3j n VAL 56 Ca 0.08 -0.06 -0.06 0.00 -2.96 0.00 0.00 64.34 61.33 3g3j n VAL 56 Cb 0.40 -1.68 0.05 0.00 -1.06 0.00 0.00 33.84 31.55 3g3j n VAL 56 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3g3j h GLU 57 N 7.81 1.12 0.00 1.45 5.08 -1.91 -2.24 114.58 125.89 3g3j h GLU 57 Ca -0.47 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 57.68 3g3j h GLU 57 Cb 1.27 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3g3j h GLU 57 CO 0.92 0.93 0.00 -0.40 -1.00 0.00 0.00 179.01 179.46 3g3j n ASP 58 N -4.31 0.00 -0.99 1.42 5.75 -1.26 -4.89 116.55 112.27 3g3j n ASP 58 Ca 0.06 -0.63 -0.12 0.00 -0.01 0.00 0.00 54.79 54.09 3g3j n ASP 58 Cb 0.19 -0.10 -0.04 0.00 -1.03 0.00 0.00 41.12 40.14 3g3j n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g3j n GLY 59 N 0.92 1.00 3.46 6.12 0.00 -0.84 -4.97 105.19 110.88 3g3j n GLY 59 Ca 0.19 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 3g3j n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g3j s LYS 60 N -3.32 1.65 -0.08 1.61 1.02 -1.26 -5.01 119.74 114.35 3g3j s LYS 60 Ca 0.00 -1.47 -0.08 0.00 0.02 0.00 0.00 55.97 54.43 3g3j s LYS 60 Cb 0.00 -1.92 -0.05 0.00 -0.52 0.00 0.00 37.83 35.34 3g3j s LYS 60 CO 0.00 0.41 0.32 1.88 -0.92 0.00 0.00 175.35 177.04 3g3j h TYR 61 N 3.11 -0.19 0.00 3.18 0.05 -1.88 -2.27 116.97 118.97 3g3j h TYR 61 Ca -0.46 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 3g3j h TYR 61 Cb 1.21 0.06 0.00 0.00 1.01 0.00 0.00 36.73 39.01 3g3j h TYR 61 CO 0.68 -0.05 0.00 0.41 -1.05 0.00 0.00 178.16 178.15 3g3j n GLY 62 N 1.20 3.97 3.23 3.88 0.00 -0.43 -1.33 105.19 115.70 3g3j n GLY 62 Ca -0.03 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 3g3j n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3j s ALA 63 N 0.00 0.21 -0.11 4.61 0.00 -1.22 -4.61 121.76 120.64 3g3j s ALA 63 Ca 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 3g3j s ALA 63 Cb 0.00 0.69 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 3g3j s ALA 63 CO 0.00 -0.54 0.33 -1.14 0.00 0.00 0.00 175.76 174.41 3g3j s GLN 64 N -3.95 4.09 0.08 0.00 0.74 -1.26 -2.34 119.66 117.02 3g3j s GLN 64 Ca 0.14 0.20 -0.31 0.00 0.05 0.00 0.00 55.36 55.45 3g3j s GLN 64 Cb 0.05 -3.35 -0.07 0.00 1.10 0.00 0.00 33.01 30.75 3g3j s GLN 64 CO -0.04 0.40 1.32 0.34 -0.55 0.00 0.00 175.29 176.76 3g3j s ASP 65 N -0.07 6.92 0.42 6.67 -1.08 0.88 -4.92 116.67 125.50 3g3j s ASP 65 Ca 0.19 2.19 0.27 0.00 -0.52 0.00 0.00 52.55 54.69 3g3j s ASP 65 Cb -0.14 -2.58 0.87 0.00 -1.46 0.00 0.00 42.92 39.61 3g3j s ASP 65 CO 0.07 -0.59 1.79 -2.24 0.52 0.00 0.00 175.17 174.72 3g3j h ASP 66 N 6.90 0.00 0.02 -0.34 -0.00 -1.96 -1.26 116.42 119.77 3g3j h ASP 66 Ca -0.41 0.00 -0.39 0.00 -0.00 0.00 0.00 57.03 56.22 3g3j h ASP 66 Cb 1.21 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 40.48 3g3j h ASP 66 CO 0.85 0.00 -2.25 0.55 -0.00 0.00 0.00 179.24 178.39 3g3j n VAL 67 N -2.86 1.55 0.72 4.15 3.14 -1.26 -4.68 118.33 119.08 3g3j n VAL 67 Ca 0.03 -0.41 0.08 0.00 -2.96 0.00 0.00 64.34 61.07 3g3j n VAL 67 Cb 0.39 -1.76 -0.03 0.00 -1.06 0.00 0.00 33.84 31.39 3g3j n VAL 67 CO 0.00 0.00 0.00 -0.46 -6.46 0.00 0.00 176.83 169.91 3g3j n ASN 68 N -3.90 1.36 0.00 6.55 0.23 -1.25 -5.00 115.26 113.25 3g3j n ASN 68 Ca -0.46 -1.18 0.00 0.00 -0.53 0.00 0.00 54.58 52.41 3g3j n ASN 68 Cb 0.90 0.63 0.00 0.00 -2.08 0.00 0.00 39.78 39.23 3g3j n ASN 68 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3j n GLY 69 N 1.22 0.59 3.81 4.83 0.00 -0.48 -4.99 105.19 110.16 3g3j n GLY 69 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3g3j n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g3j s GLN 70 N -0.26 4.35 0.49 1.61 -0.21 -1.26 -4.62 119.66 119.76 3g3j s GLN 70 Ca 0.00 1.05 -0.06 0.00 0.02 0.00 0.00 55.36 56.37 3g3j s GLN 70 Cb 0.00 -2.70 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 3g3j s GLN 70 CO 0.00 0.27 0.82 -1.58 -2.12 0.00 0.00 175.29 172.67 3g3j s TRP 71 N -1.70 3.57 0.01 0.91 0.52 -1.26 -0.09 118.94 120.90 3g3j s TRP 71 Ca 0.50 0.89 0.00 0.00 0.02 0.00 0.00 56.10 57.51 3g3j s TRP 71 Cb -0.16 -2.36 -0.00 0.00 -1.15 0.00 0.00 33.47 29.80 3g3j s TRP 71 CO 0.21 -0.32 0.00 0.27 0.02 0.00 0.00 176.95 177.13 3g3j n ASN 72 N -2.26 1.20 0.00 2.95 0.23 -0.99 -4.71 115.26 111.68 3g3j n ASN 72 Ca 0.01 -1.05 0.00 0.00 -0.53 0.00 0.00 54.58 53.02 3g3j n ASN 72 Cb 0.55 0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 3g3j n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g3j n GLY 73 N 2.87 0.23 0.25 4.83 0.00 -1.26 -2.09 105.19 110.03 3g3j n GLY 73 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3g3j n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3g3j h MET 74 N 0.00 0.42 -0.30 1.61 2.86 -0.58 -2.43 114.93 116.52 3g3j h MET 74 Ca 0.00 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3g3j h MET 74 Cb 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3g3j h MET 74 CO 0.00 0.52 0.19 0.28 1.06 0.00 0.00 176.91 178.96 3g3j h VAL 75 N 0.40 1.07 -0.80 -2.22 2.07 -1.56 -2.15 116.25 113.06 3g3j h VAL 75 Ca 0.08 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3g3j h VAL 75 Cb 0.41 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3g3j h VAL 75 CO 0.02 0.07 0.44 -0.09 0.02 0.00 0.00 177.57 178.04 3g3j h ARG 76 N 0.39 1.11 -0.96 1.57 9.65 -1.04 -0.89 114.38 124.21 3g3j h ARG 76 Ca 0.11 -0.12 0.06 0.00 -1.10 0.00 0.00 59.98 58.93 3g3j h ARG 76 Cb -0.04 -0.22 -0.06 0.00 -1.39 0.00 0.00 29.97 28.26 3g3j h ARG 76 CO -0.03 0.81 0.63 0.93 2.80 0.00 0.00 179.97 185.11 3g3j h GLU 77 N 1.12 1.09 -0.08 0.20 5.08 -0.99 -0.90 114.58 120.10 3g3j h GLU 77 Ca 0.28 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3g3j h GLU 77 Cb 0.02 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3g3j h GLU 77 CO -0.05 0.72 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.38 3g3j h LEU 78 N 1.12 0.34 -0.88 1.33 3.38 -0.76 0.47 115.31 120.31 3g3j h LEU 78 Ca 0.41 -0.61 0.17 0.00 0.09 0.00 0.00 57.88 57.94 3g3j h LEU 78 Cb 0.18 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 40.73 3g3j h LEU 78 CO -0.16 0.89 0.44 0.40 0.09 0.00 0.00 178.44 180.10 3g3j h ILE 79 N -0.20 0.66 -0.08 1.22 2.04 -0.88 -0.76 117.51 119.52 3g3j h ILE 79 Ca -0.01 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3g3j h ILE 79 Cb 0.86 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3g3j h ILE 79 CO 0.05 0.11 0.00 0.47 0.00 0.00 0.00 178.15 178.78 3g3j n ASP 80 N -4.90 1.18 -2.09 1.72 8.00 -0.37 -4.91 116.55 115.18 3g3j n ASP 80 Ca 0.19 -1.53 -0.18 0.00 0.71 0.00 0.00 54.79 53.98 3g3j n ASP 80 Cb 0.50 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.55 3g3j n ASP 80 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3g3j n HIS 81 N -0.03 -0.89 0.65 1.24 8.25 -0.29 -4.87 115.22 119.28 3g3j n HIS 81 Ca 0.17 0.01 0.12 0.00 -0.26 0.00 0.00 57.72 57.77 3g3j n HIS 81 Cb 0.27 -3.61 0.19 0.00 1.12 0.00 0.00 29.99 27.96 3g3j n HIS 81 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3g3j n LYS 82 N -2.77 0.24 -4.12 -0.41 5.02 0.12 -4.85 118.16 111.39 3g3j n LYS 82 Ca -0.21 0.07 -0.15 0.00 -2.02 0.00 0.00 58.31 55.99 3g3j n LYS 82 Cb 0.66 -1.65 -0.12 0.00 -0.02 0.00 0.00 35.03 33.91 3g3j n LYS 82 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g3j s ALA 83 N -3.14 0.83 -0.01 7.82 0.00 -1.12 -4.96 121.76 121.19 3g3j s ALA 83 Ca 0.07 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 3g3j s ALA 83 Cb 0.14 -0.02 -0.29 0.00 0.00 0.00 0.00 23.12 22.95 3g3j s ALA 83 CO 0.72 0.07 0.83 -0.44 0.00 0.00 0.00 175.76 176.93 3g3j h ASP 84 N 4.48 0.45 -4.69 0.00 3.32 -0.94 -3.43 116.42 115.61 3g3j h ASP 84 Ca -0.38 -0.62 -0.24 0.00 0.02 0.00 0.00 57.03 55.81 3g3j h ASP 84 Cb 1.20 -0.15 -0.22 0.00 0.22 0.00 0.00 39.33 40.38 3g3j h ASP 84 CO 0.41 1.52 -0.72 -0.76 -1.72 0.00 0.00 179.24 177.96 3g3j s LEU 85 N -7.06 2.21 -0.28 1.55 1.43 -0.96 -4.25 118.68 111.33 3g3j s LEU 85 Ca -0.10 -0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 52.50 3g3j s LEU 85 Cb 0.06 -0.08 0.03 0.00 0.03 0.00 0.00 46.19 46.23 3g3j s LEU 85 CO 0.86 -0.20 -0.01 0.00 0.23 0.00 0.00 176.35 177.23 3g3j s ALA 86 N -1.21 2.83 -0.34 4.21 0.00 0.14 -0.80 121.76 126.58 3g3j s ALA 86 Ca -0.10 -1.55 -0.02 0.00 0.00 0.00 0.00 51.96 50.29 3g3j s ALA 86 Cb -0.09 -1.88 0.08 0.00 0.00 0.00 0.00 23.12 21.23 3g3j s ALA 86 CO -0.00 -0.98 0.08 0.08 0.00 0.00 0.00 175.76 174.94 3g3j s VAL 87 N 1.35 3.04 0.07 0.00 1.01 -0.79 -1.42 120.40 123.65 3g3j s VAL 87 Ca -0.01 -1.73 -0.27 0.00 0.00 0.00 0.00 61.98 59.97 3g3j s VAL 87 Cb -0.18 -2.92 0.09 0.00 0.00 0.00 0.00 36.38 33.38 3g3j s VAL 87 CO -0.02 -0.37 1.13 0.00 0.00 0.00 0.00 175.10 175.84 3g3j s ALA 88 N 1.18 -1.95 -1.27 5.51 0.00 -1.26 -4.58 121.76 119.38 3g3j s ALA 88 Ca 0.01 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.11 3g3j s ALA 88 Cb -0.21 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.46 3g3j s ALA 88 CO -0.03 -1.06 2.10 -0.35 0.00 0.00 0.00 175.76 176.42 3g3j n PRO 89 N -0.54 2.52 -3.55 0.00 -0.04 -1.26 -4.74 135.00 127.39 3g3j n PRO 89 Ca -0.06 -2.48 -0.41 0.00 -0.04 0.00 0.00 63.50 60.51 3g3j n PRO 89 Cb 0.61 -3.24 -0.11 0.00 -0.04 0.00 0.00 33.50 30.73 3g3j n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3g3j s LEU 90 N 2.44 4.83 0.23 1.53 2.96 -1.26 -5.03 118.68 124.39 3g3j s LEU 90 Ca 0.51 -0.92 -0.30 0.00 -0.22 0.00 0.00 54.13 53.20 3g3j s LEU 90 Cb 0.13 -2.08 -0.09 0.00 0.50 0.00 0.00 46.19 44.64 3g3j s LEU 90 CO -0.02 -0.40 1.36 0.00 -1.32 0.00 0.00 176.35 175.98 3g3j s ALA 91 N 1.61 3.57 -0.32 5.97 0.00 -1.26 -1.94 121.76 129.39 3g3j s ALA 91 Ca 0.03 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 3g3j s ALA 91 Cb -0.19 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.44 3g3j s ALA 91 CO 0.08 -0.62 1.08 0.42 0.00 0.00 0.00 175.76 176.71 3g3j s ILE 92 N -0.03 4.51 0.10 0.00 1.01 -0.05 -4.90 121.20 121.85 3g3j s ILE 92 Ca 0.57 1.74 0.03 0.00 0.00 0.00 0.00 60.65 62.99 3g3j s ILE 92 Cb -0.39 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.62 3g3j s ILE 92 CO 0.41 -0.48 -0.08 0.42 0.00 0.00 0.00 174.94 175.20 3g3j s THR 93 N 3.66 0.86 0.14 2.92 -4.23 -1.26 -4.53 115.64 113.19 3g3j s THR 93 Ca 0.45 -1.82 -0.24 0.00 -1.18 0.00 0.00 61.69 58.90 3g3j s THR 93 Cb -0.12 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.17 3g3j s THR 93 CO 0.15 -0.72 1.62 0.22 -0.54 0.00 0.00 174.62 175.35 3g3j h TYR 94 N 3.21 -0.78 -0.22 3.99 3.20 -1.98 0.21 116.97 124.60 3g3j h TYR 94 Ca -0.36 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.48 3g3j h TYR 94 Cb 1.18 0.37 -0.01 0.00 1.54 0.00 0.00 36.73 39.81 3g3j h TYR 94 CO 0.62 -0.36 -0.16 -0.39 -1.64 0.00 0.00 178.16 176.23 3g3j h VAL 95 N -0.33 1.22 -0.15 1.81 -1.51 -2.00 -1.93 116.25 113.35 3g3j h VAL 95 Ca 0.11 -0.98 -0.22 0.00 -1.23 0.00 0.00 66.70 64.38 3g3j h VAL 95 Cb 0.51 1.23 0.01 0.00 -2.13 0.00 0.00 31.29 30.91 3g3j h VAL 95 CO -0.37 0.31 -0.77 0.03 -1.23 0.00 0.00 177.57 175.54 3g3j h ARG 96 N 0.34 0.78 0.00 5.19 3.08 -1.87 -3.14 114.38 118.77 3g3j h ARG 96 Ca 0.06 -0.64 -0.00 0.00 0.07 0.00 0.00 59.98 59.47 3g3j h ARG 96 Cb 0.48 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 3g3j h ARG 96 CO 0.03 1.24 -0.01 1.49 -1.07 0.00 0.00 179.97 181.65 3g3j h GLU 97 N 0.54 0.00 0.00 0.04 4.57 -0.57 0.13 114.58 119.29 3g3j h GLU 97 Ca -0.05 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.10 3g3j h GLU 97 Cb 1.40 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.99 3g3j h GLU 97 CO 0.16 0.01 -0.14 0.93 -1.18 0.00 0.00 179.01 178.79 3g3j h GLU 98 N 0.00 0.00 0.00 1.92 5.08 -1.31 -3.37 114.58 116.90 3g3j h GLU 98 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3g3j h GLU 98 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3g3j h GLU 98 CO 0.00 0.14 -1.07 1.33 -1.00 0.00 0.00 179.01 178.41 3g3j n VAL 99 N -3.54 0.04 -4.41 3.13 0.24 -0.40 -5.06 118.33 108.34 3g3j n VAL 99 Ca -0.01 -0.04 -0.20 0.00 -2.04 0.00 0.00 64.34 62.05 3g3j n VAL 99 Cb 0.29 -0.15 -0.10 0.00 -1.47 0.00 0.00 33.84 32.40 3g3j n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3g3j s ILE 100 N -2.07 1.21 0.13 1.34 -4.36 -0.10 -4.32 121.20 113.04 3g3j s ILE 100 Ca -0.01 -2.03 0.03 0.00 -0.26 0.00 0.00 60.65 58.38 3g3j s ILE 100 Cb 0.01 -2.60 -0.04 0.00 1.25 0.00 0.00 42.46 41.08 3g3j s ILE 100 CO 0.06 -0.15 0.24 -1.81 0.24 0.00 0.00 174.94 173.51 3g3j s ASP 101 N -3.42 6.17 0.03 4.36 1.01 -0.35 -4.29 116.67 120.18 3g3j s ASP 101 Ca 0.33 0.13 0.05 0.00 0.71 0.00 0.00 52.55 53.77 3g3j s ASP 101 Cb 0.07 -1.82 -0.02 0.00 1.01 0.00 0.00 42.92 42.16 3g3j s ASP 101 CO 0.13 0.08 -0.15 -0.36 0.21 0.00 0.00 175.17 175.08 3g3j s PHE 102 N -1.69 1.32 1.02 4.23 0.08 -1.26 -0.78 117.98 120.91 3g3j s PHE 102 Ca 0.34 -0.33 -0.11 0.00 0.12 0.00 0.00 56.93 56.94 3g3j s PHE 102 Cb -0.11 -0.80 0.20 0.00 -0.57 0.00 0.00 43.02 41.74 3g3j s PHE 102 CO 0.27 0.03 1.08 -1.54 -0.10 0.00 0.00 175.22 174.97 3g3j s SER 103 N -0.99 2.17 0.96 1.36 1.04 -0.03 -4.95 113.70 113.25 3g3j s SER 103 Ca 0.03 1.77 -0.11 0.00 0.48 0.00 0.00 55.95 58.12 3g3j s SER 103 Cb -0.08 -2.39 0.17 0.00 0.10 0.00 0.00 66.02 63.83 3g3j s SER 103 CO 0.01 -3.50 1.11 -0.54 0.98 0.00 0.00 173.24 171.29 3g3j s LYS 104 N -4.62 0.71 0.31 4.02 1.02 -1.26 -4.48 119.74 115.44 3g3j s LYS 104 Ca 0.67 1.27 -0.28 0.00 0.02 0.00 0.00 55.97 57.64 3g3j s LYS 104 Cb -0.23 -1.71 -0.09 0.00 -0.52 0.00 0.00 37.83 35.27 3g3j s LYS 104 CO 0.61 -2.75 1.11 -2.14 -0.92 0.00 0.00 175.35 171.26 3g3j s PRO 105 N -4.66 4.52 0.00 -1.68 0.02 -1.26 -4.60 135.00 127.34 3g3j s PRO 105 Ca 0.66 1.80 0.23 0.00 0.02 0.00 0.00 61.00 63.72 3g3j s PRO 105 Cb -0.22 -3.07 0.23 0.00 0.02 0.00 0.00 34.50 31.46 3g3j s PRO 105 CO 0.59 0.10 1.22 1.97 -0.33 0.00 0.00 177.00 180.56 3g3j n PHE 106 N 0.93 0.00 -3.64 6.54 1.16 -0.09 -4.95 117.46 117.41 3g3j n PHE 106 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.43 3g3j n PHE 106 Cb 0.45 -0.15 -0.08 0.00 -1.61 0.00 0.00 39.48 38.09 3g3j n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3g3j s MET 107 N -2.99 0.80 0.17 3.97 0.00 -1.25 -5.01 119.30 114.99 3g3j s MET 107 Ca 0.10 0.42 0.10 0.00 0.00 0.00 0.00 55.69 56.31 3g3j s MET 107 Cb 0.17 0.38 -0.04 0.00 0.00 0.00 0.00 34.83 35.34 3g3j s MET 107 CO 0.76 -0.18 -0.17 0.95 0.00 0.00 0.00 175.02 176.38 3g3j s THR 108 N -0.51 2.81 0.15 10.11 -4.23 -1.26 -1.26 115.64 121.45 3g3j s THR 108 Ca -0.06 -1.75 -0.15 0.00 -1.18 0.00 0.00 61.69 58.55 3g3j s THR 108 Cb -0.03 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.51 3g3j s THR 108 CO 0.04 -0.06 0.72 0.00 -0.54 0.00 0.00 174.62 174.78 3g3j n LEU 109 N 0.30 0.00 -3.57 4.79 -0.00 -0.07 -4.85 117.00 113.60 3g3j n LEU 109 Ca -0.13 -1.15 -0.11 0.00 -0.00 0.00 0.00 56.01 54.63 3g3j n LEU 109 Cb 0.55 2.10 -0.03 0.00 -0.00 0.00 0.00 43.42 46.04 3g3j n LEU 109 CO 0.31 -0.38 0.35 -0.83 -0.00 0.00 0.00 177.39 176.85 3g3j s GLY 110 N -2.94 -0.40 0.29 1.47 0.00 -1.26 -1.10 107.32 103.38 3g3j s GLY 110 Ca 0.16 0.18 -0.29 0.00 0.00 0.00 0.00 44.72 44.76 3g3j s GLY 110 CO 0.04 -0.01 1.37 -0.42 0.00 0.00 0.00 173.10 174.08 3g3j s ILE 111 N -3.80 2.68 0.00 0.90 1.01 -1.26 -0.39 121.20 120.34 3g3j s ILE 111 Ca 0.04 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.32 3g3j s ILE 111 Cb -0.01 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3g3j s ILE 111 CO -0.08 0.13 0.00 -0.24 0.00 0.00 0.00 174.94 174.75 3g3j n SER 112 N 1.50 0.00 -4.16 3.58 2.88 0.04 -0.39 113.62 117.07 3g3j n SER 112 Ca 0.03 -0.45 -0.30 0.00 -1.33 0.00 0.00 58.87 56.82 3g3j n SER 112 Cb 0.41 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.70 3g3j n SER 112 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3g3j s ILE 113 N -1.97 1.76 -0.21 2.46 1.01 -1.25 -1.35 121.20 121.65 3g3j s ILE 113 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 3g3j s ILE 113 Cb 0.00 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 3g3j s ILE 113 CO 0.00 0.49 0.11 -0.22 0.00 0.00 0.00 174.94 175.33 3g3j s LEU 114 N 0.40 4.00 0.33 2.97 2.96 0.37 -0.69 118.68 129.02 3g3j s LEU 114 Ca -0.16 0.12 -0.09 0.00 -0.22 0.00 0.00 54.13 53.78 3g3j s LEU 114 Cb -0.17 -2.04 0.02 0.00 0.50 0.00 0.00 46.19 44.49 3g3j s LEU 114 CO 0.07 0.13 0.57 -0.47 -1.32 0.00 0.00 176.35 175.33 3g3j s TYR 115 N 0.67 0.63 0.75 5.38 5.04 -0.66 -0.95 117.35 128.21 3g3j s TYR 115 Ca 0.06 -1.02 -0.11 0.00 -2.44 0.00 0.00 57.07 53.56 3g3j s TYR 115 Cb -0.13 0.25 0.04 0.00 0.35 0.00 0.00 41.96 42.47 3g3j s TYR 115 CO 0.01 -1.23 1.08 -0.98 -1.34 0.00 0.00 175.55 173.09 3g3j s ARG 116 N -3.06 2.48 0.61 4.97 1.70 -1.26 -0.96 118.95 123.44 3g3j s ARG 116 Ca 0.24 1.08 -0.07 0.00 -0.47 0.00 0.00 55.73 56.51 3g3j s ARG 116 Cb -0.02 -1.93 0.01 0.00 -0.57 0.00 0.00 34.95 32.44 3g3j s ARG 116 CO 0.15 -1.46 0.94 0.15 -1.08 0.00 0.00 175.30 174.01 3g3j s LYS 117 N -4.96 2.95 0.00 3.89 1.02 -0.85 -4.57 119.74 117.23 3g3j s LYS 117 Ca 0.60 0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.72 3g3j s LYS 117 Cb -0.16 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 3g3j s LYS 117 CO 0.56 -0.75 0.00 0.41 -0.92 0.00 0.00 175.35 174.65 3g3j n GLY 118 N -2.67 0.64 3.68 -3.33 0.00 -1.26 -5.05 105.19 97.20 3g3j n GLY 118 Ca 0.05 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 3g3j n GLY 118 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g3j s THR 119 N -2.00 2.65 -2.09 2.61 -4.23 -1.26 -5.02 115.64 106.30 3g3j s THR 119 Ca 0.00 -1.83 0.21 0.00 -1.18 0.00 0.00 61.69 58.89 3g3j s THR 119 Cb 0.00 -2.90 0.56 0.00 1.34 0.00 0.00 72.50 71.50 3g3j s THR 119 CO 0.00 -0.15 1.74 -0.81 -0.54 0.00 0.00 174.62 174.86 3g3j n PRO 120 N -1.07 1.21 -2.37 3.99 -0.05 -1.26 -4.83 135.00 130.61 3g3j n PRO 120 Ca -0.03 -0.31 -0.42 0.00 -0.05 0.00 0.00 63.50 62.68 3g3j n PRO 120 Cb 0.63 -1.35 -0.03 0.00 -0.05 0.00 0.00 33.50 32.70 3g3j n PRO 120 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 3g3j s ILE 121 N -1.95 4.12 0.00 0.52 -1.09 -1.26 -4.89 121.20 116.65 3g3j s ILE 121 Ca 0.32 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 60.16 3g3j s ILE 121 Cb 0.15 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 3g3j s ILE 121 CO 0.25 -0.05 0.21 -0.67 -1.23 0.00 0.00 174.94 173.45 3g3j n ASP 122 N 5.83 0.41 -3.77 3.58 2.03 -1.26 -4.87 116.55 118.50 3g3j n ASP 122 Ca 0.13 -0.72 -0.06 0.00 0.52 0.00 0.00 54.79 54.66 3g3j n ASP 122 Cb 0.45 0.33 -0.02 0.00 -0.72 0.00 0.00 41.12 41.16 3g3j n ASP 122 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3g3j s SER 123 N -0.33 -0.25 0.27 1.67 1.04 -1.26 -3.15 113.70 111.69 3g3j s SER 123 Ca 0.00 -0.46 -0.04 0.00 0.48 0.00 0.00 55.95 55.93 3g3j s SER 123 Cb 0.00 0.60 0.34 0.00 0.10 0.00 0.00 66.02 67.07 3g3j s SER 123 CO 0.00 -1.10 1.94 0.00 0.98 0.00 0.00 173.24 175.06 3g3j h ALA 124 N 2.00 1.33 -0.99 5.32 0.00 -1.98 -2.43 119.26 122.51 3g3j h ALA 124 Ca -0.22 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.71 3g3j h ALA 124 Cb 1.24 -0.37 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3g3j h ALA 124 CO 0.25 0.61 0.63 0.22 0.00 0.00 0.00 179.25 180.97 3g3j h ASP 125 N 1.24 0.96 -0.77 0.00 3.58 -1.95 0.49 116.42 119.97 3g3j h ASP 125 Ca 0.33 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.75 3g3j h ASP 125 Cb -0.13 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 40.72 3g3j h ASP 125 CO -0.07 0.57 0.26 0.44 -2.88 0.00 0.00 179.24 177.56 3g3j h ASP 126 N 1.06 1.10 -0.41 2.28 3.32 -1.84 -2.45 116.42 119.49 3g3j h ASP 126 Ca 0.46 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 57.23 3g3j h ASP 126 Cb 0.33 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3g3j h ASP 126 CO -0.21 1.01 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.18 3g3j h LEU 127 N 1.14 0.77 -1.53 1.55 3.38 -1.14 -3.28 115.31 116.19 3g3j h LEU 127 Ca 0.25 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3g3j h LEU 127 Cb 0.28 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3g3j h LEU 127 CO -0.01 0.93 0.08 0.00 0.09 0.00 0.00 178.44 179.53 3g3j h ALA 128 N 0.86 1.63 -0.20 1.53 0.00 -0.63 -2.43 119.26 120.04 3g3j h ALA 128 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g3j h ALA 128 Cb 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3g3j h ALA 128 CO 0.03 0.28 0.00 0.36 0.00 0.00 0.00 179.25 179.93 3g3j n LYS 129 N -4.40 1.50 -4.18 0.00 2.85 -0.95 -4.86 118.16 108.13 3g3j n LYS 129 Ca 0.01 -0.78 -0.15 0.00 -1.05 0.00 0.00 58.31 56.34 3g3j n LYS 129 Cb 0.15 -1.22 -0.08 0.00 -0.65 0.00 0.00 35.03 33.24 3g3j n LYS 129 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 3g3j s GLN 130 N -1.74 1.57 0.00 -1.58 1.03 -0.91 -5.08 119.66 112.94 3g3j s GLN 130 Ca 0.19 -1.73 0.00 0.00 0.04 0.00 0.00 55.36 53.86 3g3j s GLN 130 Cb 0.10 0.35 0.00 0.00 0.03 0.00 0.00 33.01 33.49 3g3j s GLN 130 CO 0.14 -0.59 0.04 0.25 -2.54 0.00 0.00 175.29 172.59 3g3j n THR 131 N -0.46 0.00 -0.15 3.63 -2.24 -1.26 -4.86 114.28 108.95 3g3j n THR 131 Ca 0.03 -0.11 -0.09 0.00 -2.27 0.00 0.00 64.05 61.60 3g3j n THR 131 Cb 0.63 1.30 0.04 0.00 -2.10 0.00 0.00 70.33 70.20 3g3j n THR 131 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3g3j h LYS 132 N 0.00 0.94 -5.30 -0.78 3.64 -1.96 -3.36 116.57 109.74 3g3j h LYS 132 Ca 0.00 -0.36 -0.65 0.00 -1.27 0.00 0.00 60.65 58.37 3g3j h LYS 132 Cb 0.15 -0.05 -0.15 0.00 -0.41 0.00 0.00 32.23 31.76 3g3j h LYS 132 CO 0.00 1.02 0.02 0.42 -2.27 0.00 0.00 179.45 178.65 3g3j s ILE 133 N -4.75 4.94 0.67 2.00 1.01 -1.26 -4.94 121.20 118.87 3g3j s ILE 133 Ca -0.11 0.26 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 3g3j s ILE 133 Cb 0.13 -4.06 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 3g3j s ILE 133 CO 0.85 -0.37 1.06 -1.61 0.00 0.00 0.00 174.94 174.88 3g3j s GLU 134 N 2.56 3.17 0.04 2.79 2.02 -0.78 -4.88 118.70 123.61 3g3j s GLU 134 Ca 0.20 0.56 -0.21 0.00 0.02 0.00 0.00 54.97 55.55 3g3j s GLU 134 Cb -0.15 -2.06 0.04 0.00 0.10 0.00 0.00 34.13 32.07 3g3j s GLU 134 CO 0.15 -0.83 0.47 1.52 0.02 0.00 0.00 175.26 176.60 3g3j s TYR 135 N -3.27 -0.36 0.00 1.61 -0.85 -1.26 -0.86 117.35 112.36 3g3j s TYR 135 Ca 0.57 0.40 0.00 0.00 -0.52 0.00 0.00 57.07 57.52 3g3j s TYR 135 Cb -0.11 0.28 0.00 0.00 0.38 0.00 0.00 41.96 42.51 3g3j s TYR 135 CO 0.52 -0.60 0.00 0.41 -1.52 0.00 0.00 175.55 174.37 3g3j n GLY 136 N 0.53 1.83 3.78 5.49 0.00 -1.10 -4.75 105.19 110.97 3g3j n GLY 136 Ca -0.19 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 3g3j n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3j s ALA 137 N -1.00 -1.35 0.11 4.61 0.00 -1.17 -0.50 121.76 122.46 3g3j s ALA 137 Ca 0.00 -0.11 -0.31 0.00 0.00 0.00 0.00 51.96 51.54 3g3j s ALA 137 Cb 0.00 0.81 -0.08 0.00 0.00 0.00 0.00 23.12 23.85 3g3j s ALA 137 CO 0.00 -1.00 1.43 0.08 0.00 0.00 0.00 175.76 176.27 3g3j s VAL 138 N -3.77 3.23 0.26 0.00 1.01 -1.26 -1.80 120.40 118.06 3g3j s VAL 138 Ca 0.10 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 3g3j s VAL 138 Cb -0.05 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 3g3j s VAL 138 CO 0.04 0.06 1.48 -0.70 0.00 0.00 0.00 175.10 175.97 3g3j s GLU 139 N 1.31 4.23 -1.39 2.72 2.12 0.59 -3.28 118.70 125.01 3g3j s GLU 139 Ca 0.66 2.37 0.00 0.00 0.36 0.00 0.00 54.97 58.36 3g3j s GLU 139 Cb -0.37 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 30.92 3g3j s GLU 139 CO 0.30 -0.48 0.00 -0.25 -0.54 0.00 0.00 175.26 174.29 3g3j n ASP 140 N 2.37 -4.65 -3.88 -1.70 8.00 -1.26 -4.81 116.55 110.62 3g3j n ASP 140 Ca 0.07 0.10 -0.18 0.00 0.71 0.00 0.00 54.79 55.49 3g3j n ASP 140 Cb 0.39 -3.70 -0.00 0.00 -0.02 0.00 0.00 41.12 37.79 3g3j n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g3j n GLY 141 N -1.04 2.93 0.24 0.44 0.00 -1.21 -1.31 105.19 105.24 3g3j n GLY 141 Ca -0.17 -2.26 -0.09 0.00 0.00 0.00 0.00 46.02 43.50 3g3j n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3j h ALA 142 N 0.74 0.78 -0.08 4.61 0.00 -1.88 -1.96 119.26 121.47 3g3j h ALA 142 Ca -0.24 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.23 3g3j h ALA 142 Cb 0.85 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3g3j h ALA 142 CO 0.37 0.65 0.05 1.15 0.00 0.00 0.00 179.25 181.48 3g3j h THR 143 N 0.54 1.07 -0.76 0.00 2.02 -1.96 -0.32 112.91 113.50 3g3j h THR 143 Ca 0.05 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3g3j h THR 143 Cb 0.92 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 3g3j h THR 143 CO 0.08 0.06 0.36 -0.03 0.37 0.00 0.00 175.52 176.36 3g3j h MET 144 N 0.06 1.10 -0.44 6.66 -1.53 -1.72 -2.13 114.93 116.93 3g3j h MET 144 Ca 0.03 -0.16 -0.09 0.00 -3.44 0.00 0.00 59.70 56.04 3g3j h MET 144 Cb 0.06 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 30.89 3g3j h MET 144 CO -0.01 0.85 -0.08 1.15 0.14 0.00 0.00 176.91 178.96 3g3j h THR 145 N 1.09 1.25 -0.27 -0.77 2.02 -1.07 0.30 112.91 115.45 3g3j h THR 145 Ca 0.26 -1.12 0.02 0.00 0.77 0.00 0.00 66.41 66.34 3g3j h THR 145 Cb 0.12 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3g3j h THR 145 CO -0.03 0.38 0.14 0.15 0.37 0.00 0.00 175.52 176.53 3g3j h PHE 146 N 0.70 0.26 -0.50 3.16 3.57 -0.51 -1.07 116.94 122.54 3g3j h PHE 146 Ca 0.12 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3g3j h PHE 146 Cb 0.55 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 3g3j h PHE 146 CO 0.03 0.14 0.05 0.74 -2.23 0.00 0.00 178.31 177.05 3g3j h PHE 147 N 0.29 0.92 -0.30 0.41 0.04 -0.96 -1.43 116.94 115.91 3g3j h PHE 147 Ca 0.11 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 3g3j h PHE 147 Cb 0.03 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 3g3j h PHE 147 CO -0.09 0.84 0.15 -0.22 -0.60 0.00 0.00 178.31 178.39 3g3j h LYS 148 N 0.73 0.41 0.00 1.51 3.64 -0.66 -2.77 116.57 119.43 3g3j h LYS 148 Ca 0.15 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3g3j h LYS 148 Cb 0.44 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3g3j h LYS 148 CO 0.02 0.32 -1.09 0.54 -2.27 0.00 0.00 179.45 176.96 3g3j n ARG 149 N -4.44 0.25 -2.36 1.90 1.74 -0.43 -4.98 116.66 108.34 3g3j n ARG 149 Ca 0.01 -0.02 -0.40 0.00 -0.77 0.00 0.00 57.85 56.67 3g3j n ARG 149 Cb 0.11 -1.56 -0.04 0.00 -1.02 0.00 0.00 32.46 29.95 3g3j n ARG 149 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3g3j s SER 150 N -3.75 7.09 0.00 0.55 0.15 -0.55 -4.92 113.70 112.27 3g3j s SER 150 Ca 0.04 2.40 0.23 0.00 0.70 0.00 0.00 55.95 59.32 3g3j s SER 150 Cb 0.15 -2.63 0.12 0.00 -1.71 0.00 0.00 66.02 61.95 3g3j s SER 150 CO 0.82 -0.28 1.18 0.29 1.20 0.00 0.00 173.24 176.45 3g3j n LYS 151 N 1.03 1.48 -2.28 5.44 5.02 -1.26 -4.29 118.16 123.29 3g3j n LYS 151 Ca -0.01 -1.20 -0.42 0.00 -2.02 0.00 0.00 58.31 54.67 3g3j n LYS 151 Cb 0.44 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.94 3g3j n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3g3j s ILE 152 N -2.35 3.69 0.17 -0.18 -1.09 -1.26 -4.88 121.20 115.29 3g3j s ILE 152 Ca 0.22 1.17 -0.17 0.00 -2.23 0.00 0.00 60.65 59.64 3g3j s ILE 152 Cb 0.19 -3.75 0.09 0.00 -1.58 0.00 0.00 42.46 37.41 3g3j s ILE 152 CO 0.50 0.06 1.67 0.77 -1.23 0.00 0.00 174.94 176.71 3g3j h SER 153 N 7.11 -0.34 -0.68 3.58 4.64 -1.99 0.72 113.55 126.60 3g3j h SER 153 Ca -0.40 0.12 0.05 0.00 -0.47 0.00 0.00 61.79 61.08 3g3j h SER 153 Cb 1.20 0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 63.47 3g3j h SER 153 CO 0.86 -0.12 0.40 0.74 -0.87 0.00 0.00 176.83 177.84 3g3j h THR 154 N 0.02 1.02 0.04 2.95 2.02 -1.99 -0.96 112.91 116.00 3g3j h THR 154 Ca 0.19 -0.26 -0.22 0.00 0.77 0.00 0.00 66.41 66.90 3g3j h THR 154 Cb 0.29 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3g3j h THR 154 CO -0.40 0.14 -1.00 1.88 0.37 0.00 0.00 175.52 176.51 3g3j h TYR 155 N 0.76 0.28 -0.73 3.16 0.05 -1.58 -1.72 116.97 117.18 3g3j h TYR 155 Ca 0.29 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.83 3g3j h TYR 155 Cb 0.12 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 3g3j h TYR 155 CO -0.06 1.06 0.22 0.22 -1.05 0.00 0.00 178.16 178.54 3g3j h ASP 156 N 0.07 1.07 -0.52 3.88 3.58 -0.65 0.22 116.42 124.08 3g3j h ASP 156 Ca -0.06 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 57.14 3g3j h ASP 156 Cb 1.68 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 42.43 3g3j h ASP 156 CO 0.15 1.00 0.17 0.50 -2.88 0.00 0.00 179.24 178.18 3g3j h LYS 157 N 1.09 0.81 -0.71 0.28 3.64 -1.03 -1.72 116.57 118.94 3g3j h LYS 157 Ca 0.23 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3g3j h LYS 157 Cb 0.32 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3g3j h LYS 157 CO -0.01 0.74 0.23 0.52 -2.27 0.00 0.00 179.45 178.67 3g3j h MET 158 N 0.72 1.08 -0.54 1.90 2.86 -1.05 -2.29 114.93 117.61 3g3j h MET 158 Ca 0.17 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3g3j h MET 158 Cb 0.27 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3g3j h MET 158 CO -0.01 0.92 0.17 2.35 1.06 0.00 0.00 176.91 181.40 3g3j h TRP 159 N 1.05 0.87 -0.96 -0.22 2.91 -0.66 -0.80 115.95 118.13 3g3j h TRP 159 Ca 0.23 -0.09 0.07 0.00 1.13 0.00 0.00 58.89 60.23 3g3j h TRP 159 Cb 0.28 -0.25 -0.07 0.00 -0.51 0.00 0.00 29.16 28.61 3g3j h TRP 159 CO 0.02 0.74 0.61 0.00 -1.03 0.00 0.00 178.44 178.78 3g3j h ALA 160 N 1.03 1.34 -0.05 2.65 0.00 -0.93 0.17 119.26 123.46 3g3j h ALA 160 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3g3j h ALA 160 Cb 0.28 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3g3j h ALA 160 CO -0.00 0.35 0.00 0.35 0.00 0.00 0.00 179.25 179.95 3g3j h PHE 161 N 1.08 0.10 -0.48 0.00 3.57 -1.02 -1.40 116.94 118.78 3g3j h PHE 161 Ca 0.42 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.83 3g3j h PHE 161 Cb 0.22 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 3g3j h PHE 161 CO -0.01 0.35 -0.02 0.52 -2.23 0.00 0.00 178.31 176.91 3g3j h MET 162 N -0.18 0.82 -0.21 1.11 2.86 -0.64 -0.86 114.93 117.82 3g3j h MET 162 Ca 0.02 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 3g3j h MET 162 Cb 0.31 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 3g3j h MET 162 CO 0.00 0.84 0.03 1.03 1.06 0.00 0.00 176.91 179.87 3g3j h SER 163 N 0.76 0.34 -0.93 1.22 0.87 -0.68 0.28 113.55 115.41 3g3j h SER 163 Ca 0.14 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 3g3j h SER 163 Cb 0.49 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 3g3j h SER 163 CO 0.02 0.52 0.55 0.77 -0.53 0.00 0.00 176.83 178.16 3g3j h SER 164 N 0.14 1.12 -0.61 6.23 4.64 -0.93 -2.88 113.55 121.26 3g3j h SER 164 Ca 0.06 -0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 3g3j h SER 164 Cb 0.33 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.08 3g3j h SER 164 CO 0.00 0.87 0.11 0.54 -0.87 0.00 0.00 176.83 177.48 3g3j n ARG 165 N -4.36 4.28 -0.09 4.77 1.74 -0.36 -4.73 116.66 117.91 3g3j n ARG 165 Ca 0.10 -2.96 0.05 0.00 -0.77 0.00 0.00 57.85 54.27 3g3j n ARG 165 Cb 0.07 -2.21 0.38 0.00 -1.02 0.00 0.00 32.46 29.68 3g3j n ARG 165 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3g3j h ARG 166 N 3.30 0.65 0.00 5.56 0.11 -0.71 -0.32 114.38 122.97 3g3j h ARG 166 Ca 0.10 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.12 3g3j h ARG 166 Cb 2.06 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.99 3g3j h ARG 166 CO 0.57 0.43 -0.10 1.96 0.10 0.00 0.00 179.97 182.92 3g3j h GLN 167 N 0.67 0.00 0.02 0.08 1.08 -1.85 -1.88 115.11 113.22 3g3j h GLN 167 Ca 0.23 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 57.03 3g3j h GLN 167 Cb 0.08 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 3g3j h GLN 167 CO -0.06 0.10 -2.39 0.45 -0.95 0.00 0.00 178.83 175.99 3g3j n SER 168 N -3.76 2.00 0.00 1.46 2.88 -0.30 -4.74 113.62 111.15 3g3j n SER 168 Ca -0.02 -0.01 0.11 0.00 -1.33 0.00 0.00 58.87 57.62 3g3j n SER 168 Cb 0.21 -0.55 -0.12 0.00 -0.75 0.00 0.00 64.21 63.00 3g3j n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3g3j n VAL 169 N -3.46 0.04 -3.38 2.46 0.24 -0.29 -4.82 118.33 109.12 3g3j n VAL 169 Ca -0.45 -0.28 -0.37 0.00 -2.04 0.00 0.00 64.34 61.20 3g3j n VAL 169 Cb 0.98 0.38 -0.06 0.00 -1.47 0.00 0.00 33.84 33.67 3g3j n VAL 169 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3g3j s LEU 170 N -3.90 4.28 0.34 1.34 1.43 -0.72 -3.06 118.68 118.39 3g3j s LEU 170 Ca -0.00 0.74 0.10 0.00 -1.03 0.00 0.00 54.13 53.94 3g3j s LEU 170 Cb 0.15 -2.61 -0.06 0.00 0.03 0.00 0.00 46.19 43.70 3g3j s LEU 170 CO 0.88 0.04 -0.08 0.68 0.23 0.00 0.00 176.35 178.10 3g3j s VAL 171 N 0.50 2.35 -1.67 -1.59 -7.23 -0.75 -4.82 120.40 107.19 3g3j s VAL 171 Ca 0.23 -2.17 0.25 0.00 -1.81 0.00 0.00 61.98 58.48 3g3j s VAL 171 Cb -0.15 -2.65 0.15 0.00 0.56 0.00 0.00 36.38 34.29 3g3j s VAL 171 CO 0.09 -0.22 1.41 0.29 -0.31 0.00 0.00 175.10 176.36 3g3j n LYS 172 N -0.81 0.76 -3.58 4.82 5.02 -1.26 -0.30 118.16 122.81 3g3j n LYS 172 Ca -0.05 -0.51 -0.11 0.00 -2.02 0.00 0.00 58.31 55.63 3g3j n LYS 172 Cb 0.63 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.12 3g3j n LYS 172 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3g3j s SER 173 N -2.59 -0.41 0.33 4.39 1.04 -1.26 -4.84 113.70 110.36 3g3j s SER 173 Ca 0.20 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.43 3g3j s SER 173 Cb 0.19 0.60 0.57 0.00 0.10 0.00 0.00 66.02 67.48 3g3j s SER 173 CO 0.57 -1.03 1.91 0.78 0.98 0.00 0.00 173.24 176.46 3g3j h ASN 174 N 2.09 0.63 -0.67 7.02 2.35 -1.94 -2.15 115.58 122.91 3g3j h ASN 174 Ca -0.31 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.38 3g3j h ASN 174 Cb 1.28 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 39.45 3g3j h ASN 174 CO 0.37 0.59 0.43 -0.08 -1.65 0.00 0.00 177.43 177.09 3g3j h GLU 175 N 0.68 0.83 -0.76 0.81 4.81 -1.97 -0.52 114.58 118.45 3g3j h GLU 175 Ca 0.16 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3g3j h GLU 175 Cb 0.19 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3g3j h GLU 175 CO -0.01 0.55 0.31 1.49 -0.73 0.00 0.00 179.01 180.62 3g3j h GLU 176 N 0.85 1.13 -0.50 1.92 4.81 -1.83 -1.88 114.58 119.09 3g3j h GLU 176 Ca 0.26 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3g3j h GLU 176 Cb -0.03 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 3g3j h GLU 176 CO -0.08 0.91 0.13 0.78 -0.73 0.00 0.00 179.01 180.02 3g3j h GLY 177 N 1.14 0.85 0.98 1.92 0.00 -0.71 -1.49 103.07 105.76 3g3j h GLY 177 Ca 0.26 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 47.07 3g3j h GLY 177 CO -0.02 0.49 0.25 -2.22 0.00 0.00 0.00 176.54 175.04 3g3j h ILE 178 N 0.68 1.08 -0.78 2.60 2.04 -0.94 -1.11 117.51 121.09 3g3j h ILE 178 Ca 0.16 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.92 3g3j h ILE 178 Cb 0.32 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 3g3j h ILE 178 CO 0.00 0.09 0.45 -0.61 0.00 0.00 0.00 178.15 178.08 3g3j h GLN 179 N 0.51 0.77 -0.64 2.37 4.15 -1.16 -0.84 115.11 120.27 3g3j h GLN 179 Ca 0.14 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.46 3g3j h GLN 179 Cb -0.04 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.45 3g3j h GLN 179 CO -0.04 0.51 0.17 0.00 -1.93 0.00 0.00 178.83 177.54 3g3j h ARG 180 N 0.79 1.01 -0.98 1.69 3.08 -0.63 -1.74 114.38 117.61 3g3j h ARG 180 Ca 0.36 -0.23 0.03 0.00 0.07 0.00 0.00 59.98 60.20 3g3j h ARG 180 Cb 0.25 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 3g3j h ARG 180 CO -0.21 0.90 0.65 0.28 -1.07 0.00 0.00 179.97 180.52 3g3j h VAL 181 N 0.93 1.20 0.00 2.04 2.07 -0.53 -1.27 116.25 120.68 3g3j h VAL 181 Ca 0.20 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3g3j h VAL 181 Cb 0.34 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3g3j h VAL 181 CO -0.00 0.23 0.00 -0.07 0.02 0.00 0.00 177.57 177.75 3g3j h LEU 182 N 1.27 0.00 -1.06 2.57 3.38 -0.81 -3.35 115.31 117.32 3g3j h LEU 182 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 3g3j h LEU 182 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3g3j h LEU 182 CO -0.11 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.77 3g3j n THR 183 N -3.09 0.08 -3.92 0.22 -2.24 -0.69 -5.06 114.28 99.58 3g3j n THR 183 Ca 0.03 -0.49 -0.08 0.00 -2.27 0.00 0.00 64.05 61.24 3g3j n THR 183 Cb 0.45 1.06 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 3g3j n THR 183 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3g3j s SER 184 N -0.08 -0.18 -1.08 3.42 1.04 -0.50 -5.04 113.70 111.28 3g3j s SER 184 Ca 0.00 -0.76 -0.19 0.00 0.48 0.00 0.00 55.95 55.48 3g3j s SER 184 Cb 0.00 0.66 0.10 0.00 0.10 0.00 0.00 66.02 66.88 3g3j s SER 184 CO 0.00 -1.25 1.41 -0.62 0.98 0.00 0.00 173.24 173.75 3g3j s ASP 185 N -2.97 6.70 -0.12 7.02 2.15 -1.26 -4.59 116.67 123.61 3g3j s ASP 185 Ca 0.16 -2.07 -0.09 0.00 0.43 0.00 0.00 52.55 50.98 3g3j s ASP 185 Cb -0.04 -2.49 0.04 0.00 -0.30 0.00 0.00 42.92 40.13 3g3j s ASP 185 CO 0.08 -1.19 0.30 -0.47 -0.17 0.00 0.00 175.17 173.72 3g3j s TYR 186 N 3.59 -0.36 -0.09 -5.34 5.04 -1.26 -1.86 117.35 117.08 3g3j s TYR 186 Ca 0.43 0.85 0.02 0.00 -2.44 0.00 0.00 57.07 55.92 3g3j s TYR 186 Cb -0.01 0.11 -0.02 0.00 0.35 0.00 0.00 41.96 42.39 3g3j s TYR 186 CO -0.05 -0.20 -0.13 0.00 -1.34 0.00 0.00 175.55 173.83 3g3j s ALA 187 N 0.56 2.65 -0.19 3.97 0.00 -0.04 -4.35 121.76 124.37 3g3j s ALA 187 Ca -0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 3g3j s ALA 187 Cb -0.05 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 3g3j s ALA 187 CO -0.03 0.41 -0.02 0.12 0.00 0.00 0.00 175.76 176.24 3g3j s PHE 188 N -0.21 3.02 -0.11 0.00 5.36 -0.12 -2.72 117.98 123.20 3g3j s PHE 188 Ca 0.01 -0.47 -0.30 0.00 -0.96 0.00 0.00 56.93 55.22 3g3j s PHE 188 Cb -0.13 -2.04 -0.02 0.00 -0.34 0.00 0.00 43.02 40.48 3g3j s PHE 188 CO 0.03 -0.21 1.27 -0.51 -1.46 0.00 0.00 175.22 174.34 3g3j s LEU 189 N 0.84 4.23 -0.01 6.12 1.02 0.35 -0.48 118.68 130.75 3g3j s LEU 189 Ca -0.00 1.79 -0.17 0.00 0.02 0.00 0.00 54.13 55.77 3g3j s LEU 189 Cb -0.14 -3.55 0.03 0.00 0.02 0.00 0.00 46.19 42.55 3g3j s LEU 189 CO 0.02 -0.70 0.36 -0.32 0.02 0.00 0.00 176.35 175.73 3g3j s MET 190 N 2.99 0.74 0.32 1.70 1.75 -0.46 -4.56 119.30 121.79 3g3j s MET 190 Ca 0.56 -0.16 -0.28 0.00 -1.25 0.00 0.00 55.69 54.56 3g3j s MET 190 Cb -0.24 0.33 -0.09 0.00 2.84 0.00 0.00 34.83 37.67 3g3j s MET 190 CO 0.19 -0.21 1.15 -1.21 -0.65 0.00 0.00 175.02 174.28 3g3j s GLU 191 N -1.45 4.43 0.31 4.11 2.02 -1.26 -0.78 118.70 126.07 3g3j s GLU 191 Ca -0.12 1.86 0.01 0.00 0.02 0.00 0.00 54.97 56.74 3g3j s GLU 191 Cb -0.04 -3.01 0.49 0.00 0.10 0.00 0.00 34.13 31.67 3g3j s GLU 191 CO 0.04 0.00 1.84 0.66 0.02 0.00 0.00 175.26 177.83 3g3j h SER 192 N 3.38 0.63 -0.57 -0.19 4.64 -1.05 -0.54 113.55 119.86 3g3j h SER 192 Ca -0.48 -0.12 0.07 0.00 -0.47 0.00 0.00 61.79 60.80 3g3j h SER 192 Cb 1.22 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 63.08 3g3j h SER 192 CO 0.65 0.67 0.23 0.71 -0.87 0.00 0.00 176.83 178.23 3g3j h THR 193 N 0.65 0.84 -0.15 2.95 1.35 -1.89 -0.56 112.91 116.10 3g3j h THR 193 Ca 0.14 -0.15 -0.20 0.00 -0.55 0.00 0.00 66.41 65.65 3g3j h THR 193 Cb 0.33 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.11 3g3j h THR 193 CO 0.01 0.08 -0.70 0.74 -0.25 0.00 0.00 175.52 175.39 3g3j h THR 194 N 0.44 1.32 -0.75 6.82 2.02 -1.67 -2.82 112.91 118.27 3g3j h THR 194 Ca 0.27 -1.98 0.05 0.00 0.77 0.00 0.00 66.41 65.52 3g3j h THR 194 Cb 0.28 1.96 -0.05 0.00 -1.74 0.00 0.00 68.15 68.60 3g3j h THR 194 CO -0.25 0.62 0.46 0.40 0.37 0.00 0.00 175.52 177.11 3g3j h ILE 195 N 0.45 1.05 -0.78 3.11 2.04 -0.78 -1.04 117.51 121.55 3g3j h ILE 195 Ca -0.03 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.57 3g3j h ILE 195 Cb 1.30 0.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 3g3j h ILE 195 CO 0.14 0.16 0.49 -0.08 0.00 0.00 0.00 178.15 178.86 3g3j h GLU 196 N 0.86 0.92 -0.04 2.37 4.81 -0.93 0.16 114.58 122.74 3g3j h GLU 196 Ca 0.32 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3g3j h GLU 196 Cb 0.10 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 3g3j h GLU 196 CO -0.15 0.61 0.02 0.35 -0.73 0.00 0.00 179.01 179.11 3g3j h PHE 197 N 0.95 0.05 -0.47 0.92 3.57 -1.12 -2.82 116.94 118.02 3g3j h PHE 197 Ca 0.32 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 3g3j h PHE 197 Cb 0.05 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3g3j h PHE 197 CO -0.03 0.12 0.11 0.28 -2.23 0.00 0.00 178.31 176.56 3g3j h VAL 198 N -0.04 1.24 0.00 1.41 2.07 -0.74 -2.98 116.25 117.21 3g3j h VAL 198 Ca 0.01 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.66 3g3j h VAL 198 Cb 0.09 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3g3j h VAL 198 CO -0.00 0.30 -0.22 0.71 0.02 0.00 0.00 177.57 178.37 3g3j h THR 199 N 0.64 0.51 0.00 2.57 1.35 -1.01 0.35 112.91 117.32 3g3j h THR 199 Ca 0.15 -1.19 -0.02 0.00 -0.55 0.00 0.00 66.41 64.80 3g3j h THR 199 Cb 0.33 1.83 -0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3g3j h THR 199 CO 0.00 0.22 -0.08 1.56 -0.25 0.00 0.00 175.52 176.97 3g3j h GLN 200 N 0.00 0.00 0.00 4.72 4.20 -1.34 -3.26 115.11 119.43 3g3j h GLN 200 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3g3j h GLN 200 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3g3j h GLN 200 CO 0.03 0.08 -0.46 0.54 -0.67 0.00 0.00 178.83 178.35 3g3j n ARG 201 N -3.23 3.93 -3.77 1.46 1.74 -0.66 -4.40 116.66 111.74 3g3j n ARG 201 Ca 0.00 -0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 3g3j n ARG 201 Cb 0.34 -0.93 -0.14 0.00 -1.02 0.00 0.00 32.46 30.71 3g3j n ARG 201 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3g3j s ASN 202 N -1.88 3.89 0.00 0.55 0.01 0.02 -5.00 114.94 112.54 3g3j s ASN 202 Ca 0.03 -2.45 0.18 0.00 -0.71 0.00 0.00 52.86 49.92 3g3j s ASN 202 Cb 0.07 -1.12 0.82 0.00 0.41 0.00 0.00 41.25 41.43 3g3j s ASN 202 CO 0.36 -0.30 1.57 0.00 -1.51 0.00 0.00 177.10 177.23 3g3j n ASN 204 N -1.43 2.15 -4.69 0.00 0.23 -1.26 -4.91 115.26 105.35 3g3j n ASN 204 Ca 0.06 -1.74 -0.25 0.00 -0.53 0.00 0.00 54.58 52.12 3g3j n ASN 204 Cb 0.19 -0.07 -0.07 0.00 -2.08 0.00 0.00 39.78 37.75 3g3j n ASN 204 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3g3j s LEU 205 N -1.80 3.39 0.13 -4.53 1.43 -0.57 -2.01 118.68 114.72 3g3j s LEU 205 Ca 0.34 -0.40 -0.14 0.00 -1.03 0.00 0.00 54.13 52.90 3g3j s LEU 205 Cb 0.20 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.44 3g3j s LEU 205 CO 0.30 0.06 0.37 0.28 0.23 0.00 0.00 176.35 177.59 3g3j s THR 206 N -1.87 0.08 0.17 5.49 -1.32 -0.13 -4.81 115.64 113.24 3g3j s THR 206 Ca 0.29 -0.81 -0.30 0.00 -1.21 0.00 0.00 61.69 59.66 3g3j s THR 206 Cb -0.09 -1.34 -0.07 0.00 -1.51 0.00 0.00 72.50 69.49 3g3j s THR 206 CO 0.20 -0.35 0.94 -1.58 -2.21 0.00 0.00 174.62 171.62 3g3j s GLN 207 N -3.84 4.76 -0.23 7.08 0.74 -1.26 -1.66 119.66 125.25 3g3j s GLN 207 Ca 0.06 1.44 -0.07 0.00 0.05 0.00 0.00 55.36 56.84 3g3j s GLN 207 Cb 0.02 -3.33 -0.03 0.00 1.10 0.00 0.00 33.01 30.77 3g3j s GLN 207 CO -0.09 0.37 0.07 0.42 -0.55 0.00 0.00 175.29 175.50 3g3j s ILE 208 N -0.57 4.43 0.00 -2.34 -1.09 0.13 -4.95 121.20 116.81 3g3j s ILE 208 Ca 0.43 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.72 3g3j s ILE 208 Cb -0.24 -3.05 0.00 0.00 -1.58 0.00 0.00 42.46 37.59 3g3j s ILE 208 CO 0.30 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.99 3g3j n GLY 209 N 4.54 -0.73 0.00 6.18 0.00 -1.19 -3.82 105.19 110.17 3g3j n GLY 209 Ca -0.16 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3g3j n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3j n GLY 210 N 0.00 2.32 3.75 -0.02 0.00 -1.26 -4.91 105.19 105.07 3g3j n GLY 210 Ca 0.00 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 3g3j n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g3j s LEU 211 N 0.00 4.48 0.09 0.99 1.43 -1.26 -4.57 118.68 119.84 3g3j s LEU 211 Ca 0.00 1.52 0.12 0.00 -1.03 0.00 0.00 54.13 54.74 3g3j s LEU 211 Cb 0.00 -3.28 -0.15 0.00 0.03 0.00 0.00 46.19 42.78 3g3j s LEU 211 CO 0.00 0.03 1.05 0.40 0.23 0.00 0.00 176.35 178.07 3g3j h ILE 212 N 4.00 1.11 -3.08 -0.59 2.04 -1.05 -3.48 117.51 116.46 3g3j h ILE 212 Ca -0.44 -2.76 -0.15 0.00 1.00 0.00 0.00 64.86 62.51 3g3j h ILE 212 Cb 1.21 2.51 -0.04 0.00 -0.74 0.00 0.00 36.82 39.76 3g3j h ILE 212 CO 0.70 0.63 -0.07 -0.90 0.00 0.00 0.00 178.15 178.51 3g3j n ASP 213 N -3.16 -0.75 -3.89 1.72 5.75 -1.26 -4.95 116.55 110.00 3g3j n ASP 213 Ca -0.06 -2.02 -0.24 0.00 -0.01 0.00 0.00 54.79 52.45 3g3j n ASP 213 Cb 0.92 1.40 -0.17 0.00 -1.03 0.00 0.00 41.12 42.24 3g3j n ASP 213 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3g3j s SER 214 N -2.18 1.70 0.27 -1.12 0.01 -1.26 -4.24 113.70 106.88 3g3j s SER 214 Ca 0.16 -0.21 -0.14 0.00 1.31 0.00 0.00 55.95 57.07 3g3j s SER 214 Cb -0.01 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.57 3g3j s SER 214 CO 0.11 -0.09 0.53 -1.59 0.41 0.00 0.00 173.24 172.61 3g3j s LYS 215 N 1.40 1.65 0.26 12.44 -2.85 -0.26 -5.00 119.74 127.38 3g3j s LYS 215 Ca -0.02 -1.26 0.10 0.00 -1.00 0.00 0.00 55.97 53.79 3g3j s LYS 215 Cb -0.13 0.50 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 3g3j s LYS 215 CO -0.04 -0.70 -0.16 0.20 0.10 0.00 0.00 175.35 174.75 3g3j s GLY 216 N -3.02 1.76 -0.06 0.59 0.00 -1.26 -0.89 107.32 104.44 3g3j s GLY 216 Ca 0.21 -1.83 -0.15 0.00 0.00 0.00 0.00 44.72 42.95 3g3j s GLY 216 CO 0.10 -1.90 0.39 -0.19 0.00 0.00 0.00 173.10 171.49 3g3j s TYR 217 N -2.70 3.63 0.16 1.90 2.02 -0.39 -0.87 117.35 121.11 3g3j s TYR 217 Ca 0.28 0.87 0.02 0.00 -0.37 0.00 0.00 57.07 57.87 3g3j s TYR 217 Cb -0.02 -2.33 -0.05 0.00 -0.40 0.00 0.00 41.96 39.16 3g3j s TYR 217 CO 0.12 0.48 -0.01 0.20 -1.57 0.00 0.00 175.55 174.77 3g3j s GLY 218 N -0.44 1.17 0.00 0.71 0.00 -0.82 -0.91 107.32 107.03 3g3j s GLY 218 Ca 0.22 -1.56 -0.30 0.00 0.00 0.00 0.00 44.72 43.08 3g3j s GLY 218 CO 0.10 -1.53 1.09 0.14 0.00 0.00 0.00 173.10 172.91 3g3j s VAL 219 N -3.64 4.48 0.17 1.40 1.01 -1.26 -4.45 120.40 118.11 3g3j s VAL 219 Ca 0.22 1.78 -0.16 0.00 0.00 0.00 0.00 61.98 63.82 3g3j s VAL 219 Cb 0.06 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 3g3j s VAL 219 CO 0.03 0.11 0.60 -0.83 0.00 0.00 0.00 175.10 175.01 3g3j s GLY 220 N 1.10 2.51 0.06 4.51 0.00 -0.51 -0.85 107.32 114.14 3g3j s GLY 220 Ca 0.55 -0.04 -0.00 0.00 0.00 0.00 0.00 44.72 45.23 3g3j s GLY 220 CO 0.27 0.27 -0.04 -0.51 0.00 0.00 0.00 173.10 173.09 3g3j s THR 221 N -1.48 0.32 0.74 0.90 -4.23 0.04 -0.68 115.64 111.25 3g3j s THR 221 Ca 0.39 -1.74 -0.15 0.00 -1.18 0.00 0.00 61.69 59.01 3g3j s THR 221 Cb -0.16 -1.42 0.04 0.00 1.34 0.00 0.00 72.50 72.31 3g3j s THR 221 CO 0.20 -0.91 1.25 -2.84 -0.54 0.00 0.00 174.62 171.78 3g3j s PRO 222 N -3.62 2.03 0.21 3.99 0.02 -1.26 -1.21 135.00 135.17 3g3j s PRO 222 Ca 0.06 1.92 -0.32 0.00 0.02 0.00 0.00 61.00 62.67 3g3j s PRO 222 Cb 0.05 -1.80 -0.13 0.00 0.02 0.00 0.00 34.50 32.64 3g3j s PRO 222 CO -0.08 -1.95 1.60 -0.12 -0.33 0.00 0.00 177.00 176.11 3g3j n MET 223 N -2.66 2.42 -0.76 5.54 1.56 -1.26 -1.56 117.12 120.40 3g3j n MET 223 Ca 0.15 0.87 0.00 0.00 -0.27 0.00 0.00 57.70 58.45 3g3j n MET 223 Cb 0.49 -2.65 0.00 0.00 2.15 0.00 0.00 33.22 33.22 3g3j n MET 223 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3g3j n GLY 224 N 3.14 0.86 3.76 -5.12 0.00 -1.26 -4.94 105.19 101.62 3g3j n GLY 224 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3g3j n GLY 224 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g3j s SER 225 N -2.92 6.50 0.36 1.61 0.15 -0.60 -4.88 113.70 113.92 3g3j s SER 225 Ca 0.00 2.87 0.27 0.00 0.70 0.00 0.00 55.95 59.79 3g3j s SER 225 Cb 0.00 -2.64 1.08 0.00 -1.71 0.00 0.00 66.02 62.74 3g3j s SER 225 CO 0.00 -0.79 1.81 1.55 1.20 0.00 0.00 173.24 177.01 3g3j h PRO 226 N 4.11 0.00 0.00 5.44 0.13 -1.96 -2.85 132.00 136.87 3g3j h PRO 226 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 3g3j h PRO 226 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3g3j h PRO 226 CO 0.72 0.00 -0.23 1.88 -0.23 0.00 0.00 178.00 180.14 3g3j h TYR 227 N 0.00 0.00 0.03 1.56 0.05 -1.97 -3.32 116.97 113.33 3g3j h TYR 227 Ca 0.00 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 3g3j h TYR 227 Cb 0.47 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.16 3g3j h TYR 227 CO 0.00 0.23 -0.32 -0.09 -1.05 0.00 0.00 178.16 176.93 3g3j h ARG 228 N 0.00 -0.47 0.00 4.88 2.43 -1.89 -0.36 114.38 118.97 3g3j h ARG 228 Ca -0.00 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 3g3j h ARG 228 Cb 0.74 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 3g3j h ARG 228 CO 0.03 -0.31 -0.64 -0.44 -1.51 0.00 0.00 179.97 177.09 3g3j h ASP 229 N -0.49 0.00 -0.49 -3.80 3.32 -1.80 -1.76 116.42 111.40 3g3j h ASP 229 Ca 0.05 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3g3j h ASP 229 Cb 0.56 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3g3j h ASP 229 CO -0.24 0.64 -0.13 0.11 -1.72 0.00 0.00 179.24 177.90 3g3j h LYS 230 N 0.00 0.98 -0.36 3.56 1.57 -1.59 -2.03 116.57 118.70 3g3j h LYS 230 Ca -0.01 -0.37 -0.17 0.00 -1.87 0.00 0.00 60.65 58.24 3g3j h LYS 230 Cb 1.16 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 3g3j h LYS 230 CO 0.08 1.04 -0.44 0.82 -0.57 0.00 0.00 179.45 180.39 3g3j h ILE 231 N 0.87 1.27 -0.53 1.86 2.04 -0.97 -1.52 117.51 120.53 3g3j h ILE 231 Ca 0.13 -1.61 0.08 0.00 1.00 0.00 0.00 64.86 64.46 3g3j h ILE 231 Cb 0.69 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.16 3g3j h ILE 231 CO 0.05 0.54 0.14 0.74 0.00 0.00 0.00 178.15 179.62 3g3j h THR 232 N 0.74 0.75 -0.56 -0.27 2.02 -1.18 0.07 112.91 114.47 3g3j h THR 232 Ca 0.05 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 3g3j h THR 232 Cb 1.04 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 3g3j h THR 232 CO 0.10 0.05 0.25 -0.07 0.37 0.00 0.00 175.52 176.23 3g3j h LEU 233 N 0.29 0.75 -0.80 2.58 3.38 -1.12 -0.84 115.31 119.55 3g3j h LEU 233 Ca 0.26 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3g3j h LEU 233 Cb 0.34 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3g3j h LEU 233 CO -0.31 0.69 0.36 0.00 0.09 0.00 0.00 178.44 179.27 3g3j h ALA 234 N 1.09 1.03 -0.26 1.53 0.00 -0.84 -1.39 119.26 120.42 3g3j h ALA 234 Ca 0.19 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3g3j h ALA 234 Cb 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3g3j h ALA 234 CO -0.02 0.61 0.16 0.82 0.00 0.00 0.00 179.25 180.82 3g3j h ILE 235 N 1.13 1.04 -0.35 0.00 2.04 -0.72 -0.30 117.51 120.36 3g3j h ILE 235 Ca 0.27 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 3g3j h ILE 235 Cb 0.15 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 3g3j h ILE 235 CO -0.03 0.06 0.13 -0.07 0.00 0.00 0.00 178.15 178.23 3g3j h LEU 236 N 0.32 0.45 -0.15 1.44 3.38 -0.87 0.55 115.31 120.44 3g3j h LEU 236 Ca 0.10 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 3g3j h LEU 236 Cb -0.02 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3g3j h LEU 236 CO -0.04 0.43 -0.50 0.50 0.09 0.00 0.00 178.44 178.91 3g3j h LYS 237 N 0.50 0.61 -0.77 1.13 3.64 -0.90 -2.06 116.57 118.72 3g3j h LYS 237 Ca 0.12 -0.45 0.01 0.00 -1.27 0.00 0.00 60.65 59.06 3g3j h LYS 237 Cb 0.13 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 3g3j h LYS 237 CO -0.01 1.07 0.51 -0.07 -2.27 0.00 0.00 179.45 178.68 3g3j h LEU 238 N 0.26 0.88 0.20 5.20 3.38 -0.62 -1.17 115.31 123.44 3g3j h LEU 238 Ca -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3g3j h LEU 238 Cb 1.13 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3g3j h LEU 238 CO 0.11 0.63 -0.10 -0.61 0.09 0.00 0.00 178.44 178.56 3g3j h GLN 239 N 1.03 -0.26 -0.91 1.13 -0.00 -0.80 -0.78 115.11 114.53 3g3j h GLN 239 Ca 0.29 0.02 0.17 0.00 -0.00 0.00 0.00 58.65 59.13 3g3j h GLN 239 Cb -0.10 0.06 -0.10 0.00 0.00 0.00 0.00 27.48 27.34 3g3j h GLN 239 CO -0.07 0.06 0.49 1.49 0.00 0.00 0.00 178.83 180.80 3g3j h GLU 240 N -0.60 0.62 0.00 1.69 4.81 -1.00 0.11 114.58 120.21 3g3j h GLU 240 Ca -0.03 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3g3j h GLU 240 Cb 0.44 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3g3j h GLU 240 CO 0.05 0.41 0.00 0.39 -0.73 0.00 0.00 179.01 179.12 3g3j n GLU 241 N -4.86 0.16 -0.52 1.92 1.02 -0.48 -4.88 120.64 113.00 3g3j n GLU 241 Ca 0.20 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 3g3j n GLU 241 Cb 0.51 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3g3j n GLU 241 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3j n GLY 242 N 0.58 0.75 0.22 0.62 0.00 0.38 -4.96 105.19 102.78 3g3j n GLY 242 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 3g3j n GLY 242 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3j h LYS 243 N 3.11 0.58 -0.30 1.61 1.57 -1.33 -2.31 116.57 119.49 3g3j h LYS 243 Ca 0.00 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.34 3g3j h LYS 243 Cb 0.00 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3g3j h LYS 243 CO 0.00 0.93 -0.26 -0.07 -0.57 0.00 0.00 179.45 179.49 3g3j h LEU 244 N 0.46 0.60 -0.50 2.94 3.38 -1.82 -0.74 115.31 119.63 3g3j h LEU 244 Ca 0.02 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 3g3j h LEU 244 Cb 1.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3g3j h LEU 244 CO 0.09 0.85 -0.24 -0.74 0.09 0.00 0.00 178.44 178.49 3g3j h HIS 245 N 0.52 1.12 -0.49 1.13 2.76 -1.86 -0.98 115.15 117.35 3g3j h HIS 245 Ca 0.07 -0.28 -0.07 0.00 -2.20 0.00 0.00 60.37 57.89 3g3j h HIS 245 Cb 0.72 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 3g3j h HIS 245 CO 0.03 1.10 0.02 0.52 -1.30 0.00 0.00 177.93 178.29 3g3j h MET 246 N 0.83 0.81 -0.38 5.26 2.86 -1.18 -0.91 114.93 122.22 3g3j h MET 246 Ca 0.10 -0.21 -0.13 0.00 -2.06 0.00 0.00 59.70 57.40 3g3j h MET 246 Cb 0.81 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 3g3j h MET 246 CO 0.07 0.81 -0.29 0.52 1.06 0.00 0.00 176.91 179.08 3g3j h MET 247 N 0.76 0.82 -0.28 1.72 2.07 -0.83 -1.08 114.93 118.10 3g3j h MET 247 Ca 0.15 -0.37 -0.02 0.00 -2.07 0.00 0.00 59.70 57.39 3g3j h MET 247 Cb 0.44 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 30.14 3g3j h MET 247 CO 0.02 1.00 0.11 -0.22 1.07 0.00 0.00 176.91 178.89 3g3j h LYS 248 N 0.70 0.43 -0.74 1.72 3.64 -0.81 -2.33 116.57 119.17 3g3j h LYS 248 Ca 0.08 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3g3j h LYS 248 Cb 0.83 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 3g3j h LYS 248 CO 0.07 0.45 0.47 1.49 -2.27 0.00 0.00 179.45 179.66 3g3j h GLU 249 N 0.31 0.88 -0.41 1.90 4.81 -0.96 0.37 114.58 121.47 3g3j h GLU 249 Ca 0.09 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3g3j h GLU 249 Cb 0.19 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 3g3j h GLU 249 CO -0.01 0.58 0.21 -0.22 -0.73 0.00 0.00 179.01 178.85 3g3j h LYS 250 N 0.91 0.42 0.00 1.92 3.64 -0.98 -1.52 116.57 120.96 3g3j h LYS 250 Ca 0.30 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3g3j h LYS 250 Cb 0.02 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3g3j h LYS 250 CO -0.11 0.28 -0.96 0.91 -2.27 0.00 0.00 179.45 177.30 3g3j n TRP 251 N -4.90 0.72 0.88 1.91 7.02 -0.90 -3.79 117.44 118.38 3g3j n TRP 251 Ca 0.02 0.21 0.10 0.00 -1.02 0.00 0.00 57.50 56.81 3g3j n TRP 251 Cb 0.09 -0.78 -0.10 0.00 -2.42 0.00 0.00 31.31 28.10 3g3j n TRP 251 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3g3j n TRP 252 N -2.41 0.01 0.00 -5.99 8.01 0.09 -4.84 117.44 112.31 3g3j n TRP 252 Ca 0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.20 3g3j n TRP 252 Cb 0.51 -0.08 0.00 0.00 -2.01 0.00 0.00 31.31 29.72 3g3j n TRP 252 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3g3j n ARG 253 N -1.59 0.00 0.00 -0.99 1.74 -0.58 -4.96 116.66 110.28 3g3j n ARG 253 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3g3j n ARG 253 Cb 0.36 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 3g3j n ARG 253 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g3j n GLY 256 N 0.00 2.23 2.97 -0.13 0.00 -1.26 -5.06 105.19 103.94 3g3j n GLY 256 Ca 0.00 0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 3g3j n GLY 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3j s PRO 258 N -0.56 4.18 0.00 0.00 0.02 -1.26 -5.16 135.00 132.21 3g3j s PRO 258 Ca -0.03 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3g3j s PRO 258 Cb -0.04 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.42 3g3j s PRO 258 CO -0.00 -0.55 0.00 0.39 -0.33 0.00 0.00 177.00 176.51