#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bjs s LYS 38 N 0.00 2.92 -0.10 2.12 1.02 -1.26 -1.04 119.74 123.40 3bjs s LYS 38 Ca 0.00 -1.15 -0.25 0.00 0.02 0.00 0.00 55.97 54.59 3bjs s LYS 38 Cb 0.00 -2.63 -0.03 0.00 -0.52 0.00 0.00 37.83 34.65 3bjs s LYS 38 CO 0.00 0.12 0.79 0.42 -0.92 0.00 0.00 175.35 175.76 3bjs s ILE 39 N -2.23 4.96 -0.22 2.17 1.01 0.16 -1.54 121.20 125.52 3bjs s ILE 39 Ca 0.42 1.59 -0.11 0.00 0.00 0.00 0.00 60.65 62.55 3bjs s ILE 39 Cb -0.07 -4.11 -0.09 0.00 0.01 0.00 0.00 42.46 38.19 3bjs s ILE 39 CO 0.28 0.15 -0.28 0.35 0.00 0.00 0.00 174.94 175.44 3bjs n THR 40 N 4.18 1.19 -3.94 2.92 -2.24 -0.60 -2.08 114.28 113.72 3bjs n THR 40 Ca 0.02 -0.29 -0.15 0.00 -2.27 0.00 0.00 64.05 61.35 3bjs n THR 40 Cb 0.50 -1.80 -0.15 0.00 -2.10 0.00 0.00 70.33 66.78 3bjs n THR 40 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3bjs s LYS 41 N -2.40 0.21 -0.19 -0.78 1.02 -1.21 -4.91 119.74 111.48 3bjs s LYS 41 Ca -0.30 0.02 0.01 0.00 0.02 0.00 0.00 55.97 55.72 3bjs s LYS 41 Cb 0.11 -0.32 0.03 0.00 -0.52 0.00 0.00 37.83 37.14 3bjs s LYS 41 CO 0.38 -0.06 -0.13 0.42 -0.92 0.00 0.00 175.35 175.04 3bjs s ILE 42 N 0.54 1.75 -0.03 2.17 1.01 -1.26 -0.71 121.20 124.67 3bjs s ILE 42 Ca -0.05 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.71 3bjs s ILE 42 Cb -0.08 -1.72 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 3bjs s ILE 42 CO -0.01 0.31 -0.19 0.20 0.00 0.00 0.00 174.94 175.25 3bjs s ASN 43 N 1.38 2.28 -0.22 3.58 -0.87 -0.61 -4.87 114.94 115.60 3bjs s ASN 43 Ca 0.01 -0.36 -0.08 0.00 -1.57 0.00 0.00 52.86 50.87 3bjs s ASN 43 Cb -0.15 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.25 40.66 3bjs s ASN 43 CO -0.10 0.21 0.07 0.00 -2.57 0.00 0.00 177.10 174.72 3bjs s ALA 44 N -0.30 3.28 -0.36 0.60 0.00 -1.26 -1.08 121.76 122.63 3bjs s ALA 44 Ca 0.04 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3bjs s ALA 44 Cb -0.09 -2.04 0.09 0.00 0.00 0.00 0.00 23.12 21.08 3bjs s ALA 44 CO 0.00 -0.22 0.11 0.42 0.00 0.00 0.00 175.76 176.07 3bjs s ILE 45 N 1.13 3.06 0.14 0.00 1.01 0.11 -4.95 121.20 121.70 3bjs s ILE 45 Ca 0.05 -1.86 -0.30 0.00 0.00 0.00 0.00 60.65 58.54 3bjs s ILE 45 Cb -0.14 -3.00 -0.07 0.00 0.01 0.00 0.00 42.46 39.26 3bjs s ILE 45 CO 0.03 -0.47 1.14 -2.16 0.00 0.00 0.00 174.94 173.48 3bjs s PRO 46 N 1.15 4.52 0.01 2.79 0.04 -1.26 -0.92 135.00 141.33 3bjs s PRO 46 Ca 0.04 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.87 3bjs s PRO 46 Cb -0.21 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.02 3bjs s PRO 46 CO -0.04 -0.06 -0.12 -0.51 0.04 0.00 0.00 177.00 176.31 3bjs s LEU 47 N 0.11 2.07 0.08 -3.56 1.02 0.14 -4.15 118.68 114.40 3bjs s LEU 47 Ca 0.53 -0.30 -0.09 0.00 0.02 0.00 0.00 54.13 54.30 3bjs s LEU 47 Cb -0.30 -0.59 -0.00 0.00 0.02 0.00 0.00 46.19 45.32 3bjs s LEU 47 CO 0.33 0.10 0.19 -0.94 0.02 0.00 0.00 176.35 176.05 3bjs s SER 48 N -0.57 0.12 -0.10 2.29 1.04 -1.20 0.04 113.70 115.32 3bjs s SER 48 Ca 0.03 -0.63 -0.05 0.00 0.48 0.00 0.00 55.95 55.79 3bjs s SER 48 Cb -0.06 0.33 0.05 0.00 0.10 0.00 0.00 66.02 66.44 3bjs s SER 48 CO 0.00 -0.71 0.22 -0.47 0.98 0.00 0.00 173.24 173.26 3bjs s TYR 49 N -3.73 -0.29 -0.07 5.02 6.14 -0.40 -4.19 117.35 119.83 3bjs s TYR 49 Ca 0.04 0.72 -0.16 0.00 0.64 0.00 0.00 57.07 58.31 3bjs s TYR 49 Cb 0.04 -0.01 -0.05 0.00 0.42 0.00 0.00 41.96 42.37 3bjs s TYR 49 CO -0.10 -0.23 0.41 0.50 0.64 0.00 0.00 175.55 176.77 3bjs s ARG 50 N 1.38 4.12 -0.13 4.97 3.52 -1.26 -1.51 118.95 130.04 3bjs s ARG 50 Ca -0.08 0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.86 3bjs s ARG 50 Cb -0.11 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 3bjs s ARG 50 CO -0.08 0.43 -0.03 -0.48 -0.81 0.00 0.00 175.30 174.33 3bjs s LEU 51 N -0.22 3.34 0.00 -0.88 2.34 -1.00 -5.02 118.68 117.24 3bjs s LEU 51 Ca 0.23 -0.05 0.00 0.00 0.06 0.00 0.00 54.13 54.37 3bjs s LEU 51 Cb -0.15 -1.79 0.00 0.00 -0.56 0.00 0.00 46.19 43.69 3bjs s LEU 51 CO 0.11 0.24 0.58 -0.81 -1.06 0.00 0.00 176.35 175.41 3bjs n PRO 52 N 3.08 0.80 -3.64 1.48 -0.04 -1.26 -4.85 135.00 130.57 3bjs n PRO 52 Ca -0.18 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.23 3bjs n PRO 52 Cb 0.53 -1.22 -0.06 0.00 -0.04 0.00 0.00 33.50 32.70 3bjs n PRO 52 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3bjs s THR 56 N -1.45 0.00 -0.21 0.52 -1.32 -1.26 -5.19 115.64 106.72 3bjs s THR 56 Ca 0.00 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.46 3bjs s THR 56 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 3bjs s THR 56 CO 0.00 0.00 -0.10 -0.69 -2.21 0.00 0.00 174.62 171.62 3bjs s VAL 57 N -0.19 2.84 -0.16 5.08 1.01 -1.26 -4.99 120.40 122.72 3bjs s VAL 57 Ca 0.05 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 3bjs s VAL 57 Cb -0.04 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 3bjs s VAL 57 CO -0.09 0.42 0.50 -0.89 0.00 0.00 0.00 175.10 175.04 3bjs s THR 58 N 1.39 5.14 0.00 3.92 2.01 -1.26 -3.29 115.64 123.55 3bjs s THR 58 Ca 0.05 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.01 3bjs s THR 58 Cb -0.14 -3.83 0.00 0.00 0.01 0.00 0.00 72.50 68.53 3bjs s THR 58 CO -0.07 0.25 0.00 0.23 -0.69 0.00 0.00 174.62 174.34 3bjs n MET 59 N 4.23 2.22 0.27 4.92 2.81 -0.28 -2.66 117.12 128.62 3bjs n MET 59 Ca -0.06 0.00 0.17 0.00 -1.81 0.00 0.00 57.70 56.00 3bjs n MET 59 Cb 0.51 0.00 0.63 0.00 -0.71 0.00 0.00 33.22 33.65 3bjs n MET 59 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3bjs h GLY 60 N 0.00 0.00 1.18 3.03 0.00 -1.80 -3.10 103.07 102.38 3bjs h GLY 60 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 3bjs h GLY 60 CO 0.00 0.00 -1.57 -2.08 0.00 0.00 0.00 176.54 172.89 3bjs h VAL 61 N 0.00 1.02 0.00 4.60 2.07 -1.88 -3.43 116.25 118.64 3bjs h VAL 61 Ca 0.00 -2.83 0.00 0.00 0.82 0.00 0.00 66.70 64.69 3bjs h VAL 61 Cb 0.55 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 3bjs h VAL 61 CO 0.00 0.62 0.00 0.61 0.02 0.00 0.00 177.57 178.82 3bjs n GLY 62 N 1.54 -0.50 3.30 2.17 0.00 -1.17 -5.12 105.19 105.42 3bjs n GLY 62 Ca -0.14 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 3bjs n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bjs s SER 63 N -4.00 3.55 -0.05 1.61 0.01 -1.26 -1.12 113.70 112.44 3bjs s SER 63 Ca 0.00 -0.43 -0.27 0.00 1.31 0.00 0.00 55.95 56.56 3bjs s SER 63 Cb 0.00 -1.42 -0.03 0.00 0.21 0.00 0.00 66.02 64.78 3bjs s SER 63 CO 0.00 0.18 0.86 -0.89 0.41 0.00 0.00 173.24 173.80 3bjs s THR 64 N 0.24 4.93 0.00 1.44 2.01 -1.21 -4.91 115.64 118.15 3bjs s THR 64 Ca -0.12 1.78 0.00 0.00 0.31 0.00 0.00 61.69 63.65 3bjs s THR 64 Cb -0.16 -4.19 0.00 0.00 0.01 0.00 0.00 72.50 68.15 3bjs s THR 64 CO 0.07 0.17 0.00 2.30 -0.69 0.00 0.00 174.62 176.47 3bjs n ILE 65 N 3.99 0.00 -3.66 1.82 -5.35 -1.26 -4.40 119.36 110.49 3bjs n ILE 65 Ca 0.03 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.43 3bjs n ILE 65 Cb 0.51 0.35 -0.08 0.00 -1.74 0.00 0.00 39.64 38.67 3bjs n ILE 65 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3bjs s LYS 66 N -1.56 0.56 -0.15 6.28 2.20 -1.26 -2.37 119.74 123.44 3bjs s LYS 66 Ca 0.00 1.08 -0.09 0.00 -0.36 0.00 0.00 55.97 56.60 3bjs s LYS 66 Cb 0.00 0.15 -0.05 0.00 -1.51 0.00 0.00 37.83 36.42 3bjs s LYS 66 CO 0.00 -0.16 0.16 1.03 -0.36 0.00 0.00 175.35 176.02 3bjs s ARG 67 N 1.70 3.87 0.12 4.03 1.81 -0.57 -4.96 118.95 124.96 3bjs s ARG 67 Ca -0.09 -0.12 0.11 0.00 -1.72 0.00 0.00 55.73 53.90 3bjs s ARG 67 Cb -0.07 -3.31 -0.04 0.00 -0.45 0.00 0.00 34.95 31.08 3bjs s ARG 67 CO -0.17 0.51 -0.26 -0.51 -0.68 0.00 0.00 175.30 174.20 3bjs s ASP 68 N -0.28 3.36 -0.04 0.23 -0.00 -1.26 -1.27 116.67 117.41 3bjs s ASP 68 Ca 0.13 -0.71 -0.12 0.00 -0.00 0.00 0.00 52.55 51.84 3bjs s ASP 68 Cb -0.12 -0.26 0.02 0.00 -0.00 0.00 0.00 42.92 42.56 3bjs s ASP 68 CO 0.02 0.19 0.27 0.00 -0.00 0.00 0.00 175.17 175.65 3bjs s ALA 69 N -1.04 -0.67 -0.17 5.23 0.00 0.11 -4.77 121.76 120.45 3bjs s ALA 69 Ca 0.14 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.49 3bjs s ALA 69 Cb -0.10 -0.09 0.02 0.00 0.00 0.00 0.00 23.12 22.95 3bjs s ALA 69 CO 0.06 -0.21 -0.17 0.42 0.00 0.00 0.00 175.76 175.85 3bjs s ILE 70 N -0.88 1.85 -0.19 0.00 1.01 -1.19 0.27 121.20 122.07 3bjs s ILE 70 Ca -0.10 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.68 3bjs s ILE 70 Cb -0.05 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 3bjs s ILE 70 CO 0.03 0.50 0.03 -0.63 0.00 0.00 0.00 174.94 174.87 3bjs s ILE 71 N 1.37 4.41 -0.22 2.92 1.01 -0.09 -1.04 121.20 129.55 3bjs s ILE 71 Ca 0.05 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 3bjs s ILE 71 Cb -0.13 -2.98 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 3bjs s ILE 71 CO -0.12 0.45 0.04 -0.63 0.00 0.00 0.00 174.94 174.68 3bjs s ILE 72 N 0.60 4.21 -0.27 2.92 1.01 0.18 0.04 121.20 129.89 3bjs s ILE 72 Ca 0.01 -0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 3bjs s ILE 72 Cb -0.13 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 3bjs s ILE 72 CO 0.02 0.39 0.13 -0.60 0.00 0.00 0.00 174.94 174.88 3bjs s ARG 73 N 1.23 3.72 -0.27 2.79 3.52 -0.24 -1.19 118.95 128.50 3bjs s ARG 73 Ca 0.04 -0.45 -0.03 0.00 -0.13 0.00 0.00 55.73 55.16 3bjs s ARG 73 Cb -0.15 -3.50 0.03 0.00 -1.56 0.00 0.00 34.95 29.78 3bjs s ARG 73 CO 0.02 -0.22 -0.01 0.08 -0.81 0.00 0.00 175.30 174.36 3bjs s VAL 74 N 1.67 3.14 0.15 7.11 1.01 -0.07 -1.57 120.40 131.84 3bjs s VAL 74 Ca 0.06 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 3bjs s VAL 74 Cb -0.16 -2.66 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 3bjs s VAL 74 CO 0.07 0.08 0.49 -1.61 0.00 0.00 0.00 175.10 174.13 3bjs s GLU 75 N 1.34 3.84 0.38 2.72 2.02 0.11 -0.75 118.70 128.36 3bjs s GLU 75 Ca -0.01 0.30 0.08 0.00 0.02 0.00 0.00 54.97 55.36 3bjs s GLU 75 Cb -0.18 -2.88 -0.06 0.00 0.10 0.00 0.00 34.13 31.12 3bjs s GLU 75 CO -0.02 0.46 0.05 0.95 0.02 0.00 0.00 175.26 176.73 3bjs s THR 76 N -1.54 2.34 -1.19 3.63 -4.23 -1.03 -1.56 115.64 112.06 3bjs s THR 76 Ca 0.39 -1.92 0.23 0.00 -1.18 0.00 0.00 61.69 59.21 3bjs s THR 76 Cb -0.14 -2.90 0.28 0.00 1.34 0.00 0.00 72.50 71.09 3bjs s THR 76 CO 0.20 -0.09 1.74 -1.54 -0.54 0.00 0.00 174.62 174.39 3bjs n SER 77 N -1.03 0.00 -0.67 3.99 3.41 -0.59 -2.84 113.62 115.89 3bjs n SER 77 Ca -0.04 0.26 0.09 0.00 -0.26 0.00 0.00 58.87 58.92 3bjs n SER 77 Cb 0.64 -0.40 0.22 0.00 -0.26 0.00 0.00 64.21 64.41 3bjs n SER 77 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3bjs n GLU 78 N -1.40 2.56 -0.05 4.33 1.02 -1.26 -4.96 120.64 120.87 3bjs n GLU 78 Ca 0.08 -2.70 0.00 0.00 -0.02 0.00 0.00 57.16 54.52 3bjs n GLU 78 Cb 0.23 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 3bjs n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3bjs n GLY 79 N -0.65 2.05 3.71 0.62 0.00 -1.13 -5.02 105.19 104.77 3bjs n GLY 79 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3bjs n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bjs s ILE 80 N -2.77 4.88 -0.13 -0.61 1.01 -1.26 -4.85 121.20 117.48 3bjs s ILE 80 Ca 0.00 1.97 0.02 0.00 0.00 0.00 0.00 60.65 62.65 3bjs s ILE 80 Cb 0.00 -4.28 0.01 0.00 0.01 0.00 0.00 42.46 38.20 3bjs s ILE 80 CO 0.00 0.15 -0.21 -0.89 0.00 0.00 0.00 174.94 173.99 3bjs s THR 81 N 1.11 2.18 0.11 2.92 2.01 -1.26 -2.46 115.64 120.24 3bjs s THR 81 Ca 0.50 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.57 3bjs s THR 81 Cb -0.20 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.40 3bjs s THR 81 CO 0.25 0.55 0.18 -0.83 -0.69 0.00 0.00 174.62 174.08 3bjs s GLY 82 N 0.70 1.93 -0.00 4.40 0.00 0.07 -4.78 107.32 109.63 3bjs s GLY 82 Ca -0.09 -1.01 0.04 0.00 0.00 0.00 0.00 44.72 43.66 3bjs s GLY 82 CO 0.01 -1.00 -0.13 -0.19 0.00 0.00 0.00 173.10 171.79 3bjs s TYR 83 N -1.59 1.18 0.21 1.90 2.02 -1.26 -0.89 117.35 118.92 3bjs s TYR 83 Ca 0.33 -0.24 -0.04 0.00 -0.37 0.00 0.00 57.07 56.75 3bjs s TYR 83 Cb -0.12 -0.75 -0.03 0.00 -0.40 0.00 0.00 41.96 40.66 3bjs s TYR 83 CO 0.26 -0.01 0.21 0.20 -1.57 0.00 0.00 175.55 174.64 3bjs s GLY 84 N -0.40 1.20 -0.13 0.71 0.00 -0.34 -3.66 107.32 104.71 3bjs s GLY 84 Ca 0.05 -1.49 0.03 0.00 0.00 0.00 0.00 44.72 43.30 3bjs s GLY 84 CO -0.00 -1.21 -0.22 1.85 0.00 0.00 0.00 173.10 173.52 3bjs s GLU 85 N -4.12 2.92 -0.11 2.90 2.12 -1.26 -0.65 118.70 120.49 3bjs s GLU 85 Ca 0.35 -0.82 -0.03 0.00 0.36 0.00 0.00 54.97 54.82 3bjs s GLU 85 Cb 0.05 -2.33 -0.03 0.00 0.26 0.00 0.00 34.13 32.08 3bjs s GLU 85 CO 0.11 0.02 0.01 0.00 -0.54 0.00 0.00 175.26 174.86 3bjs s ALA 86 N 0.73 3.28 0.17 6.30 0.00 -0.21 -3.56 121.76 128.48 3bjs s ALA 86 Ca -0.10 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 3bjs s ALA 86 Cb -0.16 -1.57 -0.08 0.00 0.00 0.00 0.00 23.12 21.31 3bjs s ALA 86 CO 0.01 0.48 1.26 -1.58 0.00 0.00 0.00 175.76 175.93 3bjs s HIS 87 N -0.54 3.34 0.14 0.00 2.46 -0.97 -3.19 115.29 116.52 3bjs s HIS 87 Ca 0.09 1.29 0.30 0.00 0.47 0.00 0.00 55.06 57.21 3bjs s HIS 87 Cb -0.12 -3.52 1.25 0.00 -0.13 0.00 0.00 32.58 30.06 3bjs s HIS 87 CO 0.02 -1.60 1.95 -1.35 -2.47 0.00 0.00 174.74 171.29 3bjs h PRO 88 N 5.58 0.00 -4.07 2.88 0.11 -1.92 -3.45 132.00 131.12 3bjs h PRO 88 Ca -0.44 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.31 3bjs h PRO 88 Cb 1.21 0.00 0.06 0.00 0.11 0.00 0.00 31.00 32.38 3bjs h PRO 88 CO 0.77 0.08 -0.54 0.41 -0.21 0.00 0.00 178.00 178.51 3bjs n GLY 89 N 0.01 -0.37 3.30 -0.55 0.00 -1.26 -2.18 105.19 104.14 3bjs n GLY 89 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3bjs n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bjs n ARG 90 N -3.70 -0.98 -3.04 1.61 5.12 -1.26 -4.84 116.66 109.57 3bjs n ARG 90 Ca -0.09 0.25 -0.14 0.00 -1.93 0.00 0.00 57.85 55.93 3bjs n ARG 90 Cb 0.60 -4.52 -0.04 0.00 -1.16 0.00 0.00 32.46 27.34 3bjs n ARG 90 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3bjs n SER 91 N -0.49 -2.13 0.25 0.55 2.88 -0.93 -5.03 113.62 108.73 3bjs n SER 91 Ca 0.00 -2.69 0.11 0.00 -1.33 0.00 0.00 58.87 54.96 3bjs n SER 91 Cb 0.25 0.73 0.66 0.00 -0.75 0.00 0.00 64.21 65.10 3bjs n SER 91 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3bjs h PRO 92 N 5.23 0.00 -0.07 -1.46 0.13 -1.86 -2.39 132.00 131.58 3bjs h PRO 92 Ca 0.15 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.18 3bjs h PRO 92 Cb 1.02 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 3bjs h PRO 92 CO 0.18 0.14 -0.38 0.78 -0.23 0.00 0.00 178.00 178.50 3bjs h GLY 93 N 0.79 0.16 0.88 1.56 0.00 -1.96 -2.58 103.07 101.92 3bjs h GLY 93 Ca -0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 3bjs h GLY 93 CO 0.02 0.13 -0.37 0.00 0.00 0.00 0.00 176.54 176.32 3bjs h ALA 94 N 1.49 0.28 -0.38 3.60 0.00 -1.78 -1.85 119.26 120.62 3bjs h ALA 94 Ca 0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 3bjs h ALA 94 Cb 0.73 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3bjs h ALA 94 CO 0.05 0.35 -0.26 0.82 0.00 0.00 0.00 179.25 180.21 3bjs h ILE 95 N 0.20 1.28 -0.29 0.00 5.03 -1.57 -0.65 117.51 121.51 3bjs h ILE 95 Ca 0.00 -1.42 0.05 0.00 -0.12 0.00 0.00 64.86 63.37 3bjs h ILE 95 Cb 0.97 1.35 -0.05 0.00 -3.03 0.00 0.00 36.82 36.06 3bjs h ILE 95 CO 0.08 0.47 0.00 0.74 -0.68 0.00 0.00 178.15 178.77 3bjs h THR 96 N 0.66 0.79 -0.85 -0.27 2.02 -1.53 -0.28 112.91 113.45 3bjs h THR 96 Ca 0.08 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.23 3bjs h THR 96 Cb 0.83 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.90 3bjs h THR 96 CO 0.07 0.02 0.56 -1.28 0.37 0.00 0.00 175.52 175.26 3bjs h SER 97 N 0.09 0.98 -0.65 4.18 0.87 -1.19 -1.51 113.55 116.31 3bjs h SER 97 Ca 0.14 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 3bjs h SER 97 Cb 0.18 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 3bjs h SER 97 CO -0.23 0.72 0.14 0.25 -0.53 0.00 0.00 176.83 177.18 3bjs h LEU 98 N 1.15 1.01 0.28 2.23 5.85 -0.71 -1.60 115.31 123.52 3bjs h LEU 98 Ca 0.31 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3bjs h LEU 98 Cb -0.13 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.64 3bjs h LEU 98 CO -0.07 0.99 -0.13 0.40 -0.34 0.00 0.00 178.44 179.29 3bjs h ILE 99 N 0.98 0.76 -0.56 4.05 2.04 -0.85 -1.73 117.51 122.20 3bjs h ILE 99 Ca 0.20 -0.53 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 3bjs h ILE 99 Cb 0.38 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3bjs h ILE 99 CO 0.01 0.11 -0.08 0.45 0.00 0.00 0.00 178.15 178.63 3bjs h HIS 100 N -0.66 1.15 0.00 1.37 3.86 -1.26 0.13 115.15 119.74 3bjs h HIS 100 Ca -0.04 -0.23 -0.26 0.00 -1.16 0.00 0.00 60.37 58.68 3bjs h HIS 100 Cb 0.46 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 3bjs h HIS 100 CO 0.01 1.05 -1.46 -0.91 0.86 0.00 0.00 177.93 177.48 3bjs h ASN 101 N 0.93 0.00 0.00 2.45 2.35 -1.41 -3.42 115.58 116.48 3bjs h ASN 101 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3bjs h ASN 101 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3bjs h ASN 101 CO 0.04 0.99 -0.47 0.41 -1.65 0.00 0.00 177.43 176.76 3bjs n THR 102 N -3.15 0.39 0.07 2.81 -1.04 -0.95 -4.73 114.28 107.69 3bjs n THR 102 Ca -0.11 0.13 -0.18 0.00 -2.04 0.00 0.00 64.05 61.85 3bjs n THR 102 Cb 1.01 -1.31 -0.09 0.00 -1.82 0.00 0.00 70.33 68.12 3bjs n THR 102 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3bjs h ILE 103 N 0.00 1.34 0.08 12.58 2.04 -1.16 -3.19 117.51 129.20 3bjs h ILE 103 Ca 0.00 -2.44 -0.00 0.00 1.00 0.00 0.00 64.86 63.42 3bjs h ILE 103 Cb 0.47 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 3bjs h ILE 103 CO 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 178.15 178.85 3bjs h ALA 104 N 0.50 -0.10 -0.65 1.87 0.00 -0.99 -3.15 119.26 116.73 3bjs h ALA 104 Ca -0.13 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 54.85 3bjs h ALA 104 Cb 1.74 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 3bjs h ALA 104 CO 0.20 -0.45 0.50 -1.35 0.00 0.00 0.00 179.25 178.16 3bjs h PRO 105 N -0.33 0.00 -0.00 0.00 0.11 -1.79 0.70 132.00 130.68 3bjs h PRO 105 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3bjs h PRO 105 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3bjs h PRO 105 CO 0.02 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 177.67 3bjs n MET 106 N -4.19 0.56 -0.00 1.05 0.00 -1.20 -4.05 117.12 109.29 3bjs n MET 106 Ca 0.13 -0.19 0.03 0.00 0.00 0.00 0.00 57.70 57.66 3bjs n MET 106 Cb 0.76 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 32.45 3bjs n MET 106 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3bjs n LEU 107 N -1.05 0.18 -4.71 3.17 4.77 0.16 -4.95 117.00 114.57 3bjs n LEU 107 Ca 0.13 -0.37 -0.42 0.00 -0.03 0.00 0.00 56.01 55.32 3bjs n LEU 107 Cb 0.29 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3bjs n LEU 107 CO 0.25 0.05 1.18 -0.63 -1.33 0.00 0.00 177.39 176.91 3bjs s ILE 108 N -1.73 3.10 0.00 -0.08 -1.09 -0.70 -2.76 121.20 117.94 3bjs s ILE 108 Ca 0.01 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 3bjs s ILE 108 Cb 0.04 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.46 3bjs s ILE 108 CO 0.22 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.57 3bjs n GLY 109 N 3.71 1.11 3.78 6.18 0.00 -0.88 -5.01 105.19 114.08 3bjs n GLY 109 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3bjs n GLY 109 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3bjs s MET 110 N -0.90 3.39 0.07 1.61 -1.94 -1.11 -4.71 119.30 115.71 3bjs s MET 110 Ca 0.00 1.50 -0.31 0.00 -1.71 0.00 0.00 55.69 55.17 3bjs s MET 110 Cb 0.00 -2.02 -0.07 0.00 2.01 0.00 0.00 34.83 34.75 3bjs s MET 110 CO 0.00 -0.80 1.42 0.21 -0.01 0.00 0.00 175.02 175.84 3bjs s LYS 111 N -3.43 4.30 0.00 2.03 2.20 -1.26 -0.66 119.74 122.91 3bjs s LYS 111 Ca 0.70 2.06 0.17 0.00 -0.36 0.00 0.00 55.97 58.54 3bjs s LYS 111 Cb -0.21 -3.39 0.77 0.00 -1.51 0.00 0.00 37.83 33.48 3bjs s LYS 111 CO 0.28 -0.51 1.54 0.00 -0.36 0.00 0.00 175.35 176.30 3bjs n ALA 112 N 4.59 1.83 0.34 3.13 0.00 -0.20 -1.67 120.51 128.53 3bjs n ALA 112 Ca 0.12 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.61 3bjs n ALA 112 Cb 0.43 -1.28 0.04 0.00 0.00 0.00 0.00 19.45 18.64 3bjs n ALA 112 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3bjs n THR 113 N -1.45 0.40 -2.27 0.00 -2.24 -1.26 -4.65 114.28 102.81 3bjs n THR 113 Ca 0.05 -0.39 -0.43 0.00 -2.27 0.00 0.00 64.05 61.01 3bjs n THR 113 Cb 0.19 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 3bjs n THR 113 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3bjs n ASP 114 N -2.32 4.57 0.10 3.42 2.03 -0.67 -4.70 116.55 118.98 3bjs n ASP 114 Ca 0.01 -2.91 0.00 0.00 0.52 0.00 0.00 54.79 52.41 3bjs n ASP 114 Cb 0.49 -1.68 -0.02 0.00 -0.72 0.00 0.00 41.12 39.19 3bjs n ASP 114 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3bjs h VAL 116 N 0.00 1.24 -0.13 0.00 2.07 -1.99 -0.29 116.25 117.16 3bjs h VAL 116 Ca -0.04 -0.86 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 3bjs h VAL 116 Cb 1.50 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3bjs h VAL 116 CO 0.07 0.28 -0.45 1.23 0.02 0.00 0.00 177.57 178.73 3bjs h GLY 117 N 0.37 0.33 1.14 2.17 0.00 -1.95 -1.80 103.07 103.33 3bjs h GLY 117 Ca 0.10 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 3bjs h GLY 117 CO 0.01 0.30 -0.11 0.00 0.00 0.00 0.00 176.54 176.74 3bjs h ALA 118 N 1.28 0.79 -0.34 3.60 0.00 -1.27 -2.54 119.26 120.78 3bjs h ALA 118 Ca 0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 3bjs h ALA 118 Cb 0.89 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3bjs h ALA 118 CO 0.07 0.67 -0.24 2.35 0.00 0.00 0.00 179.25 182.10 3bjs h TRP 119 N 0.90 0.78 -0.76 0.00 7.01 -0.94 -3.11 115.95 119.81 3bjs h TRP 119 Ca 0.14 -0.18 -0.05 0.00 2.11 0.00 0.00 58.89 60.91 3bjs h TRP 119 Cb 0.67 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.52 3bjs h TRP 119 CO 0.04 0.86 0.27 1.96 -2.79 0.00 0.00 178.44 178.79 3bjs h GLN 120 N 0.60 1.16 -0.66 2.65 1.08 -1.17 0.11 115.11 118.87 3bjs h GLN 120 Ca 0.08 -0.23 -0.06 0.00 -1.45 0.00 0.00 58.65 57.00 3bjs h GLN 120 Cb 0.73 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 3bjs h GLN 120 CO 0.06 0.96 0.20 0.00 -0.95 0.00 0.00 178.83 179.10 3bjs h ARG 121 N 1.12 1.03 -0.22 1.46 3.08 -1.45 -0.71 114.38 118.69 3bjs h ARG 121 Ca 0.25 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 3bjs h ARG 121 Cb 0.26 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3bjs h ARG 121 CO -0.01 0.91 -0.39 0.28 -1.07 0.00 0.00 179.97 179.69 3bjs h VAL 122 N 0.96 1.30 -0.28 2.04 2.07 -1.45 -1.04 116.25 119.85 3bjs h VAL 122 Ca 0.21 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 3bjs h VAL 122 Cb 0.31 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3bjs h VAL 122 CO -0.01 0.48 0.13 -0.74 0.02 0.00 0.00 177.57 177.45 3bjs h HIS 123 N 0.41 0.42 0.00 1.57 -0.00 -0.37 -0.24 115.15 116.94 3bjs h HIS 123 Ca 0.04 -0.02 -0.15 0.00 -0.00 0.00 0.00 60.37 60.24 3bjs h HIS 123 Cb 0.86 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 28.12 3bjs h HIS 123 CO 0.03 0.40 -0.80 0.07 -0.00 0.00 0.00 177.93 177.62 3bjs h ARG 124 N 0.32 0.00 0.00 5.26 0.11 -1.09 0.39 114.38 119.37 3bjs h ARG 124 Ca 0.10 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.98 3bjs h ARG 124 Cb 0.14 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.19 3bjs h ARG 124 CO -0.01 0.61 -1.50 -1.33 0.10 0.00 0.00 179.97 177.83 3bjs n MET 125 N -3.21 0.62 0.00 0.08 2.81 -0.40 -4.57 117.12 112.45 3bjs n MET 125 Ca -0.01 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 3bjs n MET 125 Cb 0.82 -1.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 3bjs n MET 125 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3bjs n GLN 126 N -2.92 0.00 0.03 0.03 1.13 -0.16 -4.59 117.38 110.91 3bjs n GLN 126 Ca -0.12 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.82 3bjs n GLN 126 Cb 0.89 -0.74 -0.14 0.00 0.11 0.00 0.00 30.24 30.36 3bjs n GLN 126 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3bjs h LEU 127 N 0.00 0.19 0.22 1.08 3.38 -1.11 -3.23 115.31 115.84 3bjs h LEU 127 Ca 0.00 -0.30 -0.34 0.00 0.09 0.00 0.00 57.88 57.32 3bjs h LEU 127 Cb 0.73 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.44 3bjs h LEU 127 CO 0.00 1.26 -1.63 0.77 0.09 0.00 0.00 178.44 178.93 3bjs h SER 128 N 0.03 0.71 0.00 -0.43 4.64 -1.18 -3.46 113.55 113.86 3bjs h SER 128 Ca -0.23 -0.91 0.00 0.00 -0.47 0.00 0.00 61.79 60.18 3bjs h SER 128 Cb 1.97 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 3bjs h SER 128 CO 0.12 1.74 0.00 -1.20 -0.87 0.00 0.00 176.83 176.63 3bjs n SER 129 N -3.64 0.00 -1.25 4.97 7.64 -1.26 -4.98 113.62 115.10 3bjs n SER 129 Ca -0.21 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.67 3bjs n SER 129 Cb 1.09 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 64.45 3bjs n SER 129 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3bjs n HIS 130 N 0.00 1.08 -0.36 1.43 8.25 -1.26 -4.91 115.22 119.45 3bjs n HIS 130 Ca 0.00 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.92 3bjs n HIS 130 Cb 0.00 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.75 3bjs n HIS 130 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bjs n GLY 131 N 0.14 0.38 0.48 -1.41 0.00 -1.22 -4.98 105.19 98.59 3bjs n GLY 131 Ca 0.17 -1.66 0.13 0.00 0.00 0.00 0.00 46.02 44.65 3bjs n GLY 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bjs n LEU 132 N 0.00 1.61 0.00 0.99 4.77 -1.25 -5.02 117.00 118.09 3bjs n LEU 132 Ca 0.00 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3bjs n LEU 132 Cb 0.00 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3bjs n LEU 132 CO 0.00 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3bjs n GLY 133 N 1.25 1.26 0.27 -0.72 0.00 -1.26 -3.22 105.19 102.77 3bjs n GLY 133 Ca 0.16 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.50 3bjs n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjs h ALA 134 N -0.81 1.41 -0.12 4.61 0.00 -1.95 -2.84 119.26 119.56 3bjs h ALA 134 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3bjs h ALA 134 Cb 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3bjs h ALA 134 CO 0.00 0.42 -0.34 0.78 0.00 0.00 0.00 179.25 180.11 3bjs h GLY 135 N 0.80 0.25 1.77 0.00 0.00 -1.97 -2.80 103.07 101.12 3bjs h GLY 135 Ca 0.10 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 3bjs h GLY 135 CO 0.01 0.20 -0.43 0.00 0.00 0.00 0.00 176.54 176.31 3bjs h ALA 136 N 1.45 1.06 -0.33 3.60 0.00 -1.72 -2.70 119.26 120.61 3bjs h ALA 136 Ca 0.03 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.40 3bjs h ALA 136 Cb 0.70 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3bjs h ALA 136 CO 0.05 0.61 -0.22 0.00 0.00 0.00 0.00 179.25 179.70 3bjs h ALA 137 N 1.34 1.00 -0.58 0.00 0.00 -1.49 -1.14 119.26 118.39 3bjs h ALA 137 Ca 0.02 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 3bjs h ALA 137 Cb 0.86 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3bjs h ALA 137 CO 0.07 0.59 -0.04 -0.07 0.00 0.00 0.00 179.25 179.80 3bjs h LEU 138 N 0.57 1.03 -0.41 0.00 3.38 -1.40 -2.27 115.31 116.20 3bjs h LEU 138 Ca 0.08 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.62 3bjs h LEU 138 Cb 0.68 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3bjs h LEU 138 CO 0.05 1.10 -0.24 0.00 0.09 0.00 0.00 178.44 179.44 3bjs h ALA 139 N 1.00 0.59 0.00 1.53 0.00 -1.17 -3.02 119.26 118.18 3bjs h ALA 139 Ca 0.16 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3bjs h ALA 139 Cb 0.60 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3bjs h ALA 139 CO 0.04 0.59 -0.54 0.97 0.00 0.00 0.00 179.25 180.30 3bjs h ILE 140 N 0.72 1.16 -0.60 0.00 6.09 -1.24 -3.24 117.51 120.41 3bjs h ILE 140 Ca 0.09 -2.02 0.07 0.00 -1.37 0.00 0.00 64.86 61.63 3bjs h ILE 140 Cb 0.82 2.16 -0.06 0.00 0.47 0.00 0.00 36.82 40.21 3bjs h ILE 140 CO 0.07 0.53 0.28 0.28 -3.07 0.00 0.00 178.15 176.24 3bjs h SER 141 N 0.00 0.36 -0.11 2.19 0.02 -1.27 0.29 113.55 115.03 3bjs h SER 141 Ca -0.01 0.05 -0.24 0.00 -0.84 0.00 0.00 61.79 60.76 3bjs h SER 141 Cb 1.12 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.66 3bjs h SER 141 CO 0.07 0.23 -0.85 1.23 -1.14 0.00 0.00 176.83 176.37 3bjs h GLY 142 N 0.51 0.85 0.89 -3.77 0.00 -1.61 -2.09 103.07 97.86 3bjs h GLY 142 Ca 0.28 -1.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.32 3bjs h GLY 142 CO -0.23 1.14 0.08 -2.22 0.00 0.00 0.00 176.54 175.31 3bjs h ILE 143 N 0.50 1.16 -0.99 2.60 2.04 -1.52 -0.92 117.51 120.38 3bjs h ILE 143 Ca -0.07 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.30 3bjs h ILE 143 Cb 1.49 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 38.63 3bjs h ILE 143 CO 0.17 0.16 0.66 -0.78 0.00 0.00 0.00 178.15 178.36 3bjs h ASP 144 N 0.17 1.12 -0.55 1.72 3.58 -0.49 0.94 116.42 122.92 3bjs h ASP 144 Ca 0.07 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.42 3bjs h ASP 144 Cb 0.18 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 3bjs h ASP 144 CO -0.01 0.80 0.07 -0.03 -2.88 0.00 0.00 179.24 177.20 3bjs h MET 145 N 1.32 0.96 0.00 0.28 4.05 -1.20 -1.65 114.93 118.69 3bjs h MET 145 Ca 0.37 -0.25 -0.11 0.00 -0.28 0.00 0.00 59.70 59.43 3bjs h MET 145 Cb -0.11 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.55 3bjs h MET 145 CO -0.09 0.90 -0.53 0.00 0.23 0.00 0.00 176.91 177.42 3bjs h ALA 146 N 1.17 1.07 -0.36 0.39 0.00 -0.53 -2.39 119.26 118.62 3bjs h ALA 146 Ca 0.18 -0.48 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 3bjs h ALA 146 Cb 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3bjs h ALA 146 CO 0.01 0.66 -0.25 -0.07 0.00 0.00 0.00 179.25 179.61 3bjs h LEU 147 N 0.00 0.84 -1.30 0.00 3.38 -0.36 -2.36 115.31 115.50 3bjs h LEU 147 Ca -0.01 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 3bjs h LEU 147 Cb 0.97 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3bjs h LEU 147 CO 0.07 1.09 -0.31 -0.50 0.09 0.00 0.00 178.44 178.89 3bjs h TRP 148 N 0.59 0.00 -0.38 1.13 4.06 -1.26 -1.54 115.95 118.55 3bjs h TRP 148 Ca 0.07 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.96 3bjs h TRP 148 Cb 0.81 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.96 3bjs h TRP 148 CO 0.06 0.31 0.01 0.22 -3.56 0.00 0.00 178.44 175.48 3bjs h ASP 149 N 0.00 0.65 -0.47 -3.49 3.58 -1.28 -1.85 116.42 113.56 3bjs h ASP 149 Ca -0.00 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.14 3bjs h ASP 149 Cb 0.67 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 3bjs h ASP 149 CO 0.04 0.79 0.26 0.40 -2.88 0.00 0.00 179.24 177.85 3bjs h ILE 150 N 0.49 1.17 -0.25 2.25 2.04 -1.15 -2.89 117.51 119.16 3bjs h ILE 150 Ca 0.11 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.45 3bjs h ILE 150 Cb 0.45 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3bjs h ILE 150 CO 0.02 0.17 -0.23 0.03 0.00 0.00 0.00 178.15 178.14 3bjs h ARG 151 N 0.61 0.48 -0.36 2.37 3.08 -1.18 -0.00 114.38 119.38 3bjs h ARG 151 Ca 0.16 -0.17 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 3bjs h ARG 151 Cb 0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3bjs h ARG 151 CO -0.03 0.68 -0.41 0.78 -1.07 0.00 0.00 179.97 179.92 3bjs h GLY 152 N 1.00 0.98 1.03 0.04 0.00 -1.34 -2.00 103.07 102.80 3bjs h GLY 152 Ca 0.07 -1.03 -0.10 0.00 0.00 0.00 0.00 47.33 46.27 3bjs h GLY 152 CO 0.05 0.92 -0.08 0.50 0.00 0.00 0.00 176.54 177.93 3bjs h LYS 153 N 0.73 0.90 0.00 4.80 1.57 -1.25 0.18 116.57 123.50 3bjs h LYS 153 Ca 0.05 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 3bjs h LYS 153 Cb 1.01 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 3bjs h LYS 153 CO 0.10 0.98 -0.38 0.00 -0.57 0.00 0.00 179.45 179.58 3bjs h ALA 154 N 0.89 1.12 0.00 3.86 0.00 -1.02 -2.78 119.26 121.33 3bjs h ALA 154 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3bjs h ALA 154 Cb 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3bjs h ALA 154 CO 0.04 0.47 -0.51 0.00 0.00 0.00 0.00 179.25 179.26 3bjs n ALA 155 N -2.35 3.40 -3.76 0.00 0.00 -0.75 -4.97 120.51 112.08 3bjs n ALA 155 Ca -0.01 -0.32 -0.23 0.00 0.00 0.00 0.00 53.44 52.87 3bjs n ALA 155 Cb 0.47 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.80 3bjs n ALA 155 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3bjs n ASN 156 N -1.60 -1.49 -3.97 0.00 5.15 -0.51 -5.03 115.26 107.81 3bjs n ASN 156 Ca 0.05 -0.89 -0.15 0.00 -0.60 0.00 0.00 54.58 52.99 3bjs n ASN 156 Cb 0.35 -3.73 -0.14 0.00 -0.53 0.00 0.00 39.78 35.73 3bjs n ASN 156 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 3bjs s MET 157 N -6.10 0.41 0.78 1.20 -1.94 -0.07 -4.95 119.30 108.63 3bjs s MET 157 Ca 0.06 -0.29 -0.12 0.00 -1.71 0.00 0.00 55.69 53.63 3bjs s MET 157 Cb -0.02 -0.34 0.06 0.00 2.01 0.00 0.00 34.83 36.54 3bjs s MET 157 CO 0.84 0.09 1.12 -1.25 -0.01 0.00 0.00 175.02 175.80 3bjs s PRO 158 N -0.43 2.07 0.35 2.03 0.04 -1.26 -1.25 135.00 136.56 3bjs s PRO 158 Ca -0.01 1.36 0.05 0.00 0.04 0.00 0.00 61.00 62.43 3bjs s PRO 158 Cb -0.04 -1.86 0.66 0.00 0.04 0.00 0.00 34.50 33.30 3bjs s PRO 158 CO -0.00 -1.81 1.93 1.25 0.04 0.00 0.00 177.00 178.41 3bjs h LEU 159 N -0.99 0.52 -1.17 -3.56 5.85 -1.26 -0.95 115.31 113.76 3bjs h LEU 159 Ca -0.44 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.22 3bjs h LEU 159 Cb 1.25 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 3bjs h LEU 159 CO 0.49 0.51 0.56 0.10 -0.34 0.00 0.00 178.44 179.77 3bjs h TYR 160 N 0.57 1.07 -0.13 1.25 -0.00 -1.86 -0.02 116.97 117.84 3bjs h TYR 160 Ca 0.13 0.02 -0.18 0.00 0.00 0.00 0.00 58.73 58.71 3bjs h TYR 160 Cb 0.18 -0.36 -0.00 0.00 0.00 0.00 0.00 36.73 36.55 3bjs h TYR 160 CO 0.01 0.67 -0.67 1.49 -0.00 0.00 0.00 178.16 179.66 3bjs h GLU 161 N 1.15 0.52 -0.34 0.10 4.81 -1.45 0.28 114.58 119.65 3bjs h GLU 161 Ca 0.31 -0.39 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 3bjs h GLU 161 Cb -0.13 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3bjs h GLU 161 CO -0.07 1.01 -0.14 1.25 -0.73 0.00 0.00 179.01 180.34 3bjs h LEU 162 N 0.37 0.58 0.00 1.64 6.46 -0.66 -2.74 115.31 120.96 3bjs h LEU 162 Ca -0.02 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 3bjs h LEU 162 Cb 1.25 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.02 3bjs h LEU 162 CO 0.12 0.75 -0.20 0.18 -0.62 0.00 0.00 178.44 178.67 3bjs n LEU 163 N -4.17 0.26 0.00 2.25 4.77 -0.07 -4.93 117.00 115.11 3bjs n LEU 163 Ca 0.01 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3bjs n LEU 163 Cb 0.35 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3bjs n LEU 163 CO 0.42 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3bjs n GLY 164 N 1.48 0.98 0.00 -0.72 0.00 -0.93 -4.99 105.19 101.00 3bjs n GLY 164 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3bjs n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bjs n GLY 165 N -1.54 1.59 3.18 -0.02 0.00 0.92 -4.98 105.19 104.34 3bjs n GLY 165 Ca 0.00 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 43.87 3bjs n GLY 165 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3bjs s SER 166 N -1.00 1.04 -0.35 1.61 1.04 -1.26 -4.28 113.70 110.51 3bjs s SER 166 Ca 0.00 -1.06 -0.28 0.00 0.48 0.00 0.00 55.95 55.09 3bjs s SER 166 Cb 0.00 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.23 3bjs s SER 166 CO 0.00 -0.52 1.79 -0.75 0.98 0.00 0.00 173.24 174.74 3bjs s LYS 167 N -3.88 3.31 0.11 4.02 2.20 -1.26 -4.73 119.74 119.51 3bjs s LYS 167 Ca 0.15 1.37 0.01 0.00 -0.36 0.00 0.00 55.97 57.15 3bjs s LYS 167 Cb 0.06 -4.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.14 3bjs s LYS 167 CO -0.03 -1.89 -0.05 -0.98 -0.36 0.00 0.00 175.35 172.05 3bjs s ARG 168 N 5.70 0.87 -0.14 4.03 1.70 -1.26 -5.08 118.95 124.77 3bjs s ARG 168 Ca 0.79 -1.37 -0.29 0.00 -0.47 0.00 0.00 55.73 54.39 3bjs s ARG 168 Cb -0.22 -0.17 -0.01 0.00 -0.57 0.00 0.00 34.95 33.98 3bjs s ARG 168 CO 0.33 -0.05 1.07 1.03 -1.08 0.00 0.00 175.30 176.60 3bjs s ARG 169 N -3.86 4.34 -0.20 3.89 1.81 -1.26 -4.61 118.95 119.06 3bjs s ARG 169 Ca 0.14 1.45 -0.04 0.00 -1.72 0.00 0.00 55.73 55.57 3bjs s ARG 169 Cb 0.06 -3.60 -0.02 0.00 -0.45 0.00 0.00 34.95 30.94 3bjs s ARG 169 CO -0.03 -0.48 -0.04 0.42 -0.68 0.00 0.00 175.30 174.49 3bjs s ILE 170 N 2.57 3.56 0.47 1.52 1.01 -0.67 -4.88 121.20 124.79 3bjs s ILE 170 Ca 0.49 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 60.45 3bjs s ILE 170 Cb -0.19 -2.60 -0.08 0.00 0.01 0.00 0.00 42.46 39.61 3bjs s ILE 170 CO 0.14 0.44 1.34 -2.65 0.00 0.00 0.00 174.94 174.21 3bjs n PRO 171 N 4.40 1.94 -4.16 2.79 -0.02 -1.26 -1.31 135.00 137.38 3bjs n PRO 171 Ca -0.18 0.70 -0.17 0.00 -2.02 0.00 0.00 63.50 61.83 3bjs n PRO 171 Cb 0.51 -2.52 -0.12 0.00 -0.02 0.00 0.00 33.50 31.36 3bjs n PRO 171 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bjs s ALA 172 N -1.23 1.07 0.14 3.55 0.00 -0.91 -1.11 121.76 123.27 3bjs s ALA 172 Ca 0.65 -1.00 0.11 0.00 0.00 0.00 0.00 51.96 51.72 3bjs s ALA 172 Cb -0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 3bjs s ALA 172 CO 0.55 0.10 -0.26 1.52 0.00 0.00 0.00 175.76 177.67 3bjs s TYR 173 N -1.49 2.31 -0.37 0.00 -0.85 -0.71 -4.24 117.35 112.00 3bjs s TYR 173 Ca -0.02 -0.38 -0.29 0.00 -0.52 0.00 0.00 57.07 55.87 3bjs s TYR 173 Cb -0.09 -1.23 0.01 0.00 0.38 0.00 0.00 41.96 41.03 3bjs s TYR 173 CO 0.02 0.37 1.28 0.00 -1.52 0.00 0.00 175.55 175.70 3bjs s ALA 174 N -1.16 3.23 0.00 9.51 0.00 -0.84 -1.25 121.76 131.25 3bjs s ALA 174 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3bjs s ALA 174 Cb -0.10 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.18 3bjs s ALA 174 CO 0.07 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.20 3bjs n GLY 175 N 4.62 5.26 7.00 0.00 0.00 0.19 -1.18 105.19 121.08 3bjs n GLY 175 Ca 0.14 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3bjs n GLY 175 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bjs n GLY 176 N 0.00 0.01 2.37 -0.02 0.00 -1.26 -3.13 105.19 103.16 3bjs n GLY 176 Ca 0.00 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 3bjs n GLY 176 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3bjs n ILE 177 N 0.00 4.53 -4.27 -0.61 2.08 -1.26 -4.87 119.36 114.96 3bjs n ILE 177 Ca 0.00 -3.25 -0.15 0.00 0.56 0.00 0.00 62.75 59.92 3bjs n ILE 177 Cb 0.00 -2.26 -0.10 0.00 -0.75 0.00 0.00 39.64 36.53 3bjs n ILE 177 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3bjs s ALA 178 N 0.39 1.50 -1.49 -1.39 0.00 -1.25 -4.63 121.76 114.88 3bjs s ALA 178 Ca 0.62 -1.76 -0.12 0.00 0.00 0.00 0.00 51.96 50.70 3bjs s ALA 178 Cb 0.21 1.02 0.07 0.00 0.00 0.00 0.00 23.12 24.42 3bjs s ALA 178 CO -0.08 -0.46 1.01 1.28 0.00 0.00 0.00 175.76 177.51 3bjs n LEU 179 N -0.36 -2.72 0.00 0.00 4.77 -1.26 -4.71 117.00 112.71 3bjs n LEU 179 Ca -0.01 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 3bjs n LEU 179 Cb 0.66 -2.67 0.00 0.00 -2.33 0.00 0.00 43.42 39.08 3bjs n LEU 179 CO 0.35 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 3bjs n GLY 180 N -1.75 -1.62 3.67 -0.72 0.00 -1.26 -2.69 105.19 100.83 3bjs n GLY 180 Ca 0.03 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 3bjs n GLY 180 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bjs s TYR 181 N -0.43 2.90 0.08 1.61 4.12 -1.09 -4.81 117.35 119.73 3bjs s TYR 181 Ca 0.00 0.99 -0.27 0.00 0.02 0.00 0.00 57.07 57.81 3bjs s TYR 181 Cb 0.00 -3.53 0.08 0.00 -1.52 0.00 0.00 41.96 36.99 3bjs s TYR 181 CO 0.00 -1.83 0.93 1.14 0.02 0.00 0.00 175.55 175.81 3bjs s GLN 182 N 2.98 1.02 0.43 -0.62 -2.07 -1.26 -4.78 119.66 115.36 3bjs s GLN 182 Ca 0.58 -0.49 -0.23 0.00 -1.82 0.00 0.00 55.36 53.39 3bjs s GLN 182 Cb -0.25 0.39 -0.11 0.00 -1.09 0.00 0.00 33.01 31.96 3bjs s GLN 182 CO 0.20 -0.46 0.78 -2.30 -1.32 0.00 0.00 175.29 172.19 3bjs n PRO 183 N -0.37 0.93 0.09 9.60 -0.02 -1.26 -4.76 135.00 139.21 3bjs n PRO 183 Ca -0.07 0.34 0.05 0.00 -2.02 0.00 0.00 63.50 61.79 3bjs n PRO 183 Cb 0.61 -1.79 0.48 0.00 -0.02 0.00 0.00 33.50 32.79 3bjs n PRO 183 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3bjs h LYS 184 N 1.10 0.34 0.03 -0.52 2.10 -1.94 -0.33 116.57 117.35 3bjs h LYS 184 Ca -0.43 -0.03 -0.21 0.00 -2.00 0.00 0.00 60.65 57.99 3bjs h LYS 184 Cb 1.37 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.61 3bjs h LYS 184 CO 0.54 0.26 -0.98 1.05 -2.00 0.00 0.00 179.45 178.32 3bjs h GLU 185 N 0.35 0.12 -0.09 0.07 9.09 -1.97 -1.85 114.58 120.30 3bjs h GLU 185 Ca 0.09 -0.16 -0.18 0.00 0.05 0.00 0.00 59.36 59.16 3bjs h GLU 185 Cb 0.01 0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 3bjs h GLU 185 CO -0.02 1.00 -0.70 0.77 0.05 0.00 0.00 179.01 180.11 3bjs h SER 186 N 0.05 0.47 -0.03 3.06 0.02 -1.78 -2.31 113.55 113.03 3bjs h SER 186 Ca -0.04 -0.30 -0.12 0.00 -0.84 0.00 0.00 61.79 60.48 3bjs h SER 186 Cb 1.67 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 3bjs h SER 186 CO 0.14 1.03 -0.38 0.25 -1.14 0.00 0.00 176.83 176.74 3bjs h LEU 187 N 0.28 0.56 -0.72 5.07 7.12 -1.08 -2.68 115.31 123.86 3bjs h LEU 187 Ca -0.02 -0.24 -0.13 0.00 0.13 0.00 0.00 57.88 57.61 3bjs h LEU 187 Cb 1.27 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 41.23 3bjs h LEU 187 CO 0.12 0.88 -0.49 0.00 -0.13 0.00 0.00 178.44 178.83 3bjs h ALA 188 N 1.15 0.90 -0.33 1.25 0.00 -1.26 -1.86 119.26 119.10 3bjs h ALA 188 Ca 0.04 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 3bjs h ALA 188 Cb 0.86 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3bjs h ALA 188 CO 0.07 0.66 -0.29 0.93 0.00 0.00 0.00 179.25 180.63 3bjs h GLU 189 N 0.30 0.69 -0.47 0.00 5.08 -1.31 -1.02 114.58 117.85 3bjs h GLU 189 Ca 0.02 -0.30 -0.13 0.00 -1.00 0.00 0.00 59.36 57.95 3bjs h GLU 189 Cb 0.97 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3bjs h GLU 189 CO 0.08 0.89 -0.21 1.49 -1.00 0.00 0.00 179.01 180.27 3bjs h GLU 190 N 0.59 0.95 -0.43 2.33 4.81 -1.39 -2.99 114.58 118.45 3bjs h GLU 190 Ca 0.07 -0.39 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 3bjs h GLU 190 Cb 0.79 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 3bjs h GLU 190 CO 0.06 1.06 0.18 0.00 -0.73 0.00 0.00 179.01 179.59 3bjs h ALA 191 N 0.93 0.55 0.00 2.92 0.00 -1.11 -3.03 119.26 119.52 3bjs h ALA 191 Ca 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3bjs h ALA 191 Cb 0.77 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3bjs h ALA 191 CO 0.06 0.14 -0.19 1.96 0.00 0.00 0.00 179.25 181.22 3bjs h GLN 192 N 0.55 0.00 -0.09 0.00 4.20 -1.20 -2.66 115.11 115.91 3bjs h GLN 192 Ca 0.14 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 3bjs h GLN 192 Cb 0.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3bjs h GLN 192 CO -0.01 0.19 -0.41 1.49 -0.67 0.00 0.00 178.83 179.41 3bjs h GLU 193 N 0.00 0.19 0.02 1.46 4.81 -1.40 -2.61 114.58 117.06 3bjs h GLU 193 Ca -0.00 -0.09 -0.21 0.00 -0.13 0.00 0.00 59.36 58.93 3bjs h GLU 193 Cb 0.34 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3bjs h GLU 193 CO 0.02 0.57 -0.97 1.88 -0.73 0.00 0.00 179.01 179.79 3bjs h TYR 194 N 0.16 0.18 -0.38 0.92 0.05 -1.46 -2.62 116.97 113.82 3bjs h TYR 194 Ca 0.01 -0.12 -0.14 0.00 0.05 0.00 0.00 58.73 58.53 3bjs h TYR 194 Cb 0.80 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.52 3bjs h TYR 194 CO 0.01 1.01 -0.33 0.82 -1.05 0.00 0.00 178.16 178.62 3bjs h ILE 195 N 0.05 1.28 -0.18 -2.88 1.08 -1.48 -1.56 117.51 113.81 3bjs h ILE 195 Ca -0.04 -1.50 -0.04 0.00 -0.39 0.00 0.00 64.86 62.89 3bjs h ILE 195 Cb 1.66 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 36.73 3bjs h ILE 195 CO 0.14 0.50 -0.08 0.00 -0.69 0.00 0.00 178.15 178.02 3bjs h ALA 196 N 0.89 1.53 0.00 1.87 0.00 -1.47 -1.83 119.26 120.25 3bjs h ALA 196 Ca 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3bjs h ALA 196 Cb 0.90 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3bjs h ALA 196 CO 0.08 0.34 -0.07 0.00 0.00 0.00 0.00 179.25 179.60 3bjs h ARG 197 N 0.27 0.00 0.00 0.00 3.08 -1.28 -3.47 114.38 112.98 3bjs h ARG 197 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3bjs h ARG 197 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3bjs h ARG 197 CO 0.02 0.07 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 3bjs n GLY 198 N 0.55 1.22 3.76 0.04 0.00 -0.69 -4.74 105.19 105.34 3bjs n GLY 198 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3bjs n GLY 198 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bjs s TYR 199 N -0.42 2.70 -2.17 1.61 1.51 -0.62 -3.31 117.35 116.65 3bjs s TYR 199 Ca 0.00 0.90 0.21 0.00 -1.01 0.00 0.00 57.07 57.17 3bjs s TYR 199 Cb 0.00 -4.06 0.05 0.00 -0.11 0.00 0.00 41.96 37.84 3bjs s TYR 199 CO 0.00 -3.42 1.08 1.63 -1.11 0.00 0.00 175.55 173.73 3bjs n LYS 200 N 1.63 1.59 -3.82 -0.62 4.01 -1.26 -4.28 118.16 115.41 3bjs n LYS 200 Ca 0.06 -1.24 -0.12 0.00 -0.51 0.00 0.00 58.31 56.50 3bjs n LYS 200 Cb 0.38 -1.42 -0.09 0.00 -0.51 0.00 0.00 35.03 33.39 3bjs n LYS 200 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3bjs s ALA 201 N -2.14 -0.51 0.09 7.82 0.00 -1.26 -2.01 121.76 123.74 3bjs s ALA 201 Ca 0.20 0.02 -0.12 0.00 0.00 0.00 0.00 51.96 52.06 3bjs s ALA 201 Cb 0.17 0.13 0.01 0.00 0.00 0.00 0.00 23.12 23.44 3bjs s ALA 201 CO 0.44 -0.26 0.27 -0.48 0.00 0.00 0.00 175.76 175.73 3bjs s LEU 202 N -1.50 1.04 -0.23 0.00 0.05 -1.00 -1.99 118.68 115.04 3bjs s LEU 202 Ca -0.12 -0.48 -0.01 0.00 0.05 0.00 0.00 54.13 53.57 3bjs s LEU 202 Cb -0.05 1.32 0.03 0.00 -2.05 0.00 0.00 46.19 45.43 3bjs s LEU 202 CO 0.02 -0.74 -0.09 -0.75 -0.55 0.00 0.00 176.35 174.23 3bjs s LYS 203 N -3.61 2.84 0.00 1.48 2.20 -0.32 -0.88 119.74 121.44 3bjs s LYS 203 Ca 0.03 -0.96 -0.22 0.00 -0.36 0.00 0.00 55.97 54.45 3bjs s LYS 203 Cb 0.03 -2.89 -0.05 0.00 -1.51 0.00 0.00 37.83 33.41 3bjs s LYS 203 CO -0.10 -0.36 0.66 -0.51 -0.36 0.00 0.00 175.35 174.68 3bjs s LEU 204 N 1.30 4.41 -0.34 5.43 1.02 0.46 -4.77 118.68 126.20 3bjs s LEU 204 Ca 0.01 1.25 -0.25 0.00 0.02 0.00 0.00 54.13 55.15 3bjs s LEU 204 Cb -0.16 -3.04 0.01 0.00 0.02 0.00 0.00 46.19 43.02 3bjs s LEU 204 CO -0.06 0.04 0.89 -0.13 0.02 0.00 0.00 176.35 177.11 3bjs s ARG 205 N 0.01 3.91 0.49 1.70 1.81 -1.09 -1.35 118.95 124.43 3bjs s ARG 205 Ca 0.34 0.65 0.03 0.00 -1.72 0.00 0.00 55.73 55.03 3bjs s ARG 205 Cb -0.19 -3.77 -0.02 0.00 -0.45 0.00 0.00 34.95 30.53 3bjs s ARG 205 CO 0.19 -0.84 0.09 0.96 -0.68 0.00 0.00 175.30 175.02 3bjs s ILE 206 N 3.29 1.48 0.00 1.52 -4.36 0.25 -4.64 121.20 118.75 3bjs s ILE 206 Ca 0.37 -1.88 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 3bjs s ILE 206 Cb -0.13 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.22 3bjs s ILE 206 CO 0.16 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.95 3bjs n GLY 207 N -1.30 1.34 0.08 6.27 0.00 -1.26 -4.11 105.19 106.21 3bjs n GLY 207 Ca -0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.80 3bjs n GLY 207 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3bjs h ASP 208 N 0.00 -0.05 -3.64 1.61 2.03 -1.91 -3.42 116.42 111.04 3bjs h ASP 208 Ca 0.00 -0.56 -0.17 0.00 -0.73 0.00 0.00 57.03 55.58 3bjs h ASP 208 Cb 0.00 0.01 -0.27 0.00 -0.83 0.00 0.00 39.33 38.25 3bjs h ASP 208 CO 0.00 0.67 -0.41 0.00 -1.03 0.00 0.00 179.24 178.47 3bjs s ALA 209 N -2.84 -0.68 0.23 4.15 0.00 -1.26 -5.07 121.76 116.29 3bjs s ALA 209 Ca -0.13 0.90 -0.07 0.00 0.00 0.00 0.00 51.96 52.66 3bjs s ALA 209 Cb -0.01 -0.54 0.26 0.00 0.00 0.00 0.00 23.12 22.83 3bjs s ALA 209 CO 0.47 -0.16 1.86 0.00 0.00 0.00 0.00 175.76 177.93 3bjs h ALA 210 N 6.26 1.09 -0.04 0.00 0.00 -1.94 -2.54 119.26 122.09 3bjs h ALA 210 Ca -0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3bjs h ALA 210 Cb 1.18 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3bjs h ALA 210 CO 0.34 0.32 -0.02 -0.09 0.00 0.00 0.00 179.25 179.81 3bjs h ARG 211 N 1.00 0.08 0.00 0.00 2.43 -1.98 -2.65 114.38 113.25 3bjs h ARG 211 Ca 0.34 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 3bjs h ARG 211 Cb 0.05 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3bjs h ARG 211 CO -0.13 0.48 -0.19 -0.39 -1.51 0.00 0.00 179.97 178.22 3bjs h VAL 212 N -0.31 0.65 0.00 0.20 -1.51 -1.96 -2.27 116.25 111.05 3bjs h VAL 212 Ca 0.01 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 64.63 3bjs h VAL 212 Cb 0.45 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 3bjs h VAL 212 CO 0.01 0.19 -1.16 -0.90 -1.23 0.00 0.00 177.57 174.48 3bjs n ASP 213 N -3.60 0.69 -0.11 4.19 5.68 -0.97 -2.30 116.55 120.12 3bjs n ASP 213 Ca -0.01 -0.58 -0.12 0.00 -0.50 0.00 0.00 54.79 53.57 3bjs n ASP 213 Cb 0.33 1.09 -0.03 0.00 -1.14 0.00 0.00 41.12 41.37 3bjs n ASP 213 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3bjs h ILE 214 N 0.00 1.29 -0.72 2.12 2.04 -1.32 -2.47 117.51 118.45 3bjs h ILE 214 Ca 0.00 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.49 3bjs h ILE 214 Cb 0.65 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 3bjs h ILE 214 CO 0.00 0.43 0.28 -0.08 0.00 0.00 0.00 178.15 178.78 3bjs h GLU 215 N 0.47 1.09 -0.20 2.37 4.81 -1.47 -2.03 114.58 119.62 3bjs h GLU 215 Ca 0.07 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3bjs h GLU 215 Cb 0.75 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 3bjs h GLU 215 CO 0.06 0.90 -0.09 0.00 -0.73 0.00 0.00 179.01 179.14 3bjs h ARG 216 N 1.04 0.42 -0.53 1.92 3.08 -1.52 -3.03 114.38 115.76 3bjs h ARG 216 Ca 0.24 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 3bjs h ARG 216 Cb 0.23 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3bjs h ARG 216 CO -0.02 0.71 -0.09 0.28 -1.07 0.00 0.00 179.97 179.78 3bjs h VAL 217 N 0.12 1.26 -0.32 2.04 2.07 -1.34 -2.67 116.25 117.41 3bjs h VAL 217 Ca 0.04 -1.22 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 3bjs h VAL 217 Cb 0.58 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3bjs h VAL 217 CO 0.03 0.43 -0.27 0.03 0.02 0.00 0.00 177.57 177.81 3bjs h ARG 218 N 0.87 0.64 -0.49 1.57 3.08 -1.47 -3.06 114.38 115.53 3bjs h ARG 218 Ca 0.14 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 3bjs h ARG 218 Cb 0.63 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 3bjs h ARG 218 CO 0.04 0.85 -0.17 1.25 -1.07 0.00 0.00 179.97 180.87 3bjs h HIS 219 N 0.56 1.10 -0.40 3.04 2.76 -1.38 -2.97 115.15 117.86 3bjs h HIS 219 Ca 0.07 -0.25 -0.12 0.00 -2.20 0.00 0.00 60.37 57.88 3bjs h HIS 219 Cb 0.75 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 3bjs h HIS 219 CO 0.03 1.06 -0.24 0.28 -1.30 0.00 0.00 177.93 177.76 3bjs h VAL 220 N 0.85 1.27 -0.76 5.26 2.07 -1.47 -2.50 116.25 120.97 3bjs h VAL 220 Ca 0.12 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 3bjs h VAL 220 Cb 0.74 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 3bjs h VAL 220 CO 0.06 0.46 0.45 0.03 0.02 0.00 0.00 177.57 178.58 3bjs h ARG 221 N 0.70 1.03 -0.06 1.57 2.47 -1.50 -0.84 114.38 117.74 3bjs h ARG 221 Ca 0.09 -0.09 -0.19 0.00 -1.26 0.00 0.00 59.98 58.53 3bjs h ARG 221 Cb 0.76 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.86 3bjs h ARG 221 CO 0.06 0.73 -0.76 -0.22 0.56 0.00 0.00 179.97 180.34 3bjs h LYS 222 N 1.05 0.39 0.00 0.04 3.64 -1.36 -1.75 116.57 118.57 3bjs h LYS 222 Ca 0.27 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3bjs h LYS 222 Cb -0.03 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3bjs h LYS 222 CO -0.05 0.98 -0.79 1.33 -2.27 0.00 0.00 179.45 178.65 3bjs n VAL 223 N -3.82 0.29 0.32 2.00 0.24 -0.96 -4.02 118.33 112.40 3bjs n VAL 223 Ca -0.04 -0.27 0.07 0.00 -2.04 0.00 0.00 64.34 62.05 3bjs n VAL 223 Cb 0.73 -0.01 -0.10 0.00 -1.47 0.00 0.00 33.84 32.98 3bjs n VAL 223 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3bjs n LEU 224 N -2.08 0.33 0.00 1.34 4.77 -0.34 -5.04 117.00 115.98 3bjs n LEU 224 Ca 0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3bjs n LEU 224 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3bjs n LEU 224 CO 0.38 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3bjs n GLY 225 N 1.50 -2.30 1.76 -0.72 0.00 -0.66 -4.47 105.19 100.31 3bjs n GLY 225 Ca -0.00 -1.54 -0.01 0.00 0.00 0.00 0.00 46.02 44.47 3bjs n GLY 225 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3bjs n ASP 226 N -0.44 4.57 0.01 1.61 5.68 -1.26 -4.16 116.55 122.56 3bjs n ASP 226 Ca 0.00 -2.92 0.10 0.00 -0.50 0.00 0.00 54.79 51.47 3bjs n ASP 226 Cb 0.00 -0.69 -0.13 0.00 -1.14 0.00 0.00 41.12 39.16 3bjs n ASP 226 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3bjs n GLU 227 N 0.14 0.65 -3.27 0.11 -0.58 -1.26 -4.90 120.64 111.52 3bjs n GLU 227 Ca 0.30 -0.11 -0.38 0.00 -0.42 0.00 0.00 57.16 56.55 3bjs n GLU 227 Cb 1.16 -1.59 -0.06 0.00 -0.57 0.00 0.00 31.44 30.38 3bjs n GLU 227 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3bjs s VAL 228 N -3.43 5.16 -0.53 2.62 1.01 -1.26 -4.99 120.40 118.99 3bjs s VAL 228 Ca -0.06 1.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.66 3bjs s VAL 228 Cb 0.13 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.66 3bjs s VAL 228 CO 0.88 0.30 1.58 -0.62 0.00 0.00 0.00 175.10 177.24 3bjs s ASP 229 N 0.71 5.90 -0.40 3.32 3.68 -0.85 -4.98 116.67 124.05 3bjs s ASP 229 Ca 0.27 0.49 -0.20 0.00 2.13 0.00 0.00 52.55 55.24 3bjs s ASP 229 Cb -0.15 -2.54 0.01 0.00 -1.45 0.00 0.00 42.92 38.79 3bjs s ASP 229 CO 0.11 -1.85 0.62 -0.63 0.13 0.00 0.00 175.17 173.55 3bjs s ILE 230 N 6.88 4.88 0.08 4.11 1.01 -1.26 -2.38 121.20 134.50 3bjs s ILE 230 Ca 0.61 0.31 0.01 0.00 0.00 0.00 0.00 60.65 61.58 3bjs s ILE 230 Cb -0.13 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3bjs s ILE 230 CO 0.26 -0.44 0.19 -0.76 0.00 0.00 0.00 174.94 174.18 3bjs s LEU 231 N 2.72 4.22 0.05 2.97 1.43 -0.06 -0.76 118.68 129.25 3bjs s LEU 231 Ca 0.23 0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 3bjs s LEU 231 Cb -0.14 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.21 3bjs s LEU 231 CO 0.17 0.15 -0.20 0.42 0.23 0.00 0.00 176.35 177.12 3bjs s THR 232 N -1.52 1.64 -0.07 5.49 -4.23 -0.91 -0.40 115.64 115.63 3bjs s THR 232 Ca 0.34 -1.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.62 3bjs s THR 232 Cb -0.12 -1.44 0.02 0.00 1.34 0.00 0.00 72.50 72.30 3bjs s THR 232 CO 0.27 0.15 -0.07 -0.62 -0.54 0.00 0.00 174.62 173.81 3bjs s ASP 233 N -1.29 1.49 0.00 3.99 -1.08 -0.46 -0.75 116.67 118.58 3bjs s ASP 233 Ca 0.07 -0.20 0.21 0.00 -0.52 0.00 0.00 52.55 52.11 3bjs s ASP 233 Cb -0.09 -0.63 -0.14 0.00 -1.46 0.00 0.00 42.92 40.60 3bjs s ASP 233 CO 0.02 -0.06 0.97 0.00 0.52 0.00 0.00 175.17 176.62 3bjs n ALA 234 N 4.30 4.27 -3.97 3.66 0.00 -0.29 -0.58 120.51 127.89 3bjs n ALA 234 Ca -0.20 -0.61 -0.27 0.00 0.00 0.00 0.00 53.44 52.36 3bjs n ALA 234 Cb 0.51 -0.77 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 3bjs n ALA 234 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3bjs n ASN 235 N -0.91 -1.00 -2.80 0.00 4.13 -0.96 -2.30 115.26 111.43 3bjs n ASN 235 Ca 0.06 -0.98 -0.21 0.00 1.68 0.00 0.00 54.58 55.13 3bjs n ASN 235 Cb 0.38 -3.14 0.01 0.00 -1.54 0.00 0.00 39.78 35.50 3bjs n ASN 235 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3bjs n THR 236 N -4.41 -1.45 0.34 3.41 -2.24 0.10 -3.88 114.28 106.16 3bjs n THR 236 Ca -0.24 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.58 3bjs n THR 236 Cb 0.65 -3.01 -0.01 0.00 -2.10 0.00 0.00 70.33 65.87 3bjs n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bjs n ALA 237 N -2.93 2.73 -2.08 6.98 0.00 -0.97 -4.27 120.51 119.97 3bjs n ALA 237 Ca -0.15 -0.37 -0.31 0.00 0.00 0.00 0.00 53.44 52.60 3bjs n ALA 237 Cb 0.64 -0.27 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 3bjs n ALA 237 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3bjs s TYR 238 N -1.22 3.44 0.52 0.00 4.12 -0.33 -4.91 117.35 118.97 3bjs s TYR 238 Ca 0.06 1.21 0.08 0.00 0.02 0.00 0.00 57.07 58.44 3bjs s TYR 238 Cb 0.06 -2.56 0.08 0.00 -1.52 0.00 0.00 41.96 38.02 3bjs s TYR 238 CO 0.21 -0.12 0.68 0.25 0.02 0.00 0.00 175.55 176.58 3bjs n THR 239 N -1.13 0.00 0.07 -0.71 -2.24 -1.26 -4.66 114.28 104.35 3bjs n THR 239 Ca 0.04 -1.79 -0.12 0.00 -2.27 0.00 0.00 64.05 59.92 3bjs n THR 239 Cb 0.54 -0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.26 3bjs n THR 239 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 3bjs h MET 240 N 0.00 0.37 -0.43 -0.78 4.05 -1.98 -2.74 114.93 113.41 3bjs h MET 240 Ca -0.26 -0.37 -0.03 0.00 -0.28 0.00 0.00 59.70 58.76 3bjs h MET 240 Cb 1.13 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 32.01 3bjs h MET 240 CO 0.37 1.04 0.15 0.00 0.23 0.00 0.00 176.91 178.70 3bjs h ALA 241 N 0.83 1.45 -0.40 0.39 0.00 -2.00 -1.94 119.26 117.60 3bjs h ALA 241 Ca -0.06 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 3bjs h ALA 241 Cb 1.50 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3bjs h ALA 241 CO 0.15 0.41 -0.29 -0.44 0.00 0.00 0.00 179.25 179.08 3bjs h ASP 242 N 0.62 0.96 -0.51 0.00 3.45 -1.95 -3.32 116.42 115.67 3bjs h ASP 242 Ca 0.15 -0.44 -0.04 0.00 0.43 0.00 0.00 57.03 57.13 3bjs h ASP 242 Cb 0.17 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.65 3bjs h ASP 242 CO -0.01 1.19 0.14 0.00 -1.57 0.00 0.00 179.24 178.99 3bjs h ALA 243 N 0.80 0.67 0.00 3.45 0.00 -1.05 -0.92 119.26 122.21 3bjs h ALA 243 Ca 0.08 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3bjs h ALA 243 Cb 0.88 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3bjs h ALA 243 CO 0.08 0.35 0.00 2.89 0.00 0.00 0.00 179.25 182.56 3bjs n ARG 244 N -4.47 0.82 -0.08 0.00 1.85 -0.89 -0.70 116.66 113.18 3bjs n ARG 244 Ca 0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.78 3bjs n ARG 244 Cb 0.21 -1.48 -0.12 0.00 -1.05 0.00 0.00 32.46 30.01 3bjs n ARG 244 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3bjs n ARG 245 N -0.98 1.33 -0.09 2.89 0.63 -0.85 -4.72 116.66 114.87 3bjs n ARG 245 Ca 0.19 0.00 -0.23 0.00 -0.92 0.00 0.00 57.85 56.89 3bjs n ARG 245 Cb 0.09 -1.41 -0.12 0.00 0.45 0.00 0.00 32.46 31.47 3bjs n ARG 245 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3bjs n VAL 246 N -2.63 1.59 -0.26 5.15 0.31 -0.41 -4.48 118.33 117.60 3bjs n VAL 246 Ca -0.27 -0.31 0.07 0.00 -0.01 0.00 0.00 64.34 63.82 3bjs n VAL 246 Cb 1.00 -1.87 0.20 0.00 -0.91 0.00 0.00 33.84 32.26 3bjs n VAL 246 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3bjs h LEU 247 N -0.63 -0.11 -1.52 7.52 -0.00 -1.16 -1.62 115.31 117.78 3bjs h LEU 247 Ca -0.46 0.18 0.02 0.00 -0.00 0.00 0.00 57.88 57.61 3bjs h LEU 247 Cb 1.61 0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 42.51 3bjs h LEU 247 CO -0.17 -0.12 0.34 -0.65 -0.00 0.00 0.00 178.44 177.85 3bjs h PRO 248 N 0.20 0.63 0.00 1.13 0.11 -1.80 -0.66 132.00 131.59 3bjs h PRO 248 Ca 0.45 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.38 3bjs h PRO 248 Cb 0.82 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 3bjs h PRO 248 CO -0.60 0.41 -0.67 -0.39 -0.21 0.00 0.00 178.00 176.54 3bjs h VAL 249 N 0.64 1.34 -0.13 3.15 -1.51 -1.55 -0.97 116.25 117.22 3bjs h VAL 249 Ca 0.20 -2.41 -0.10 0.00 -1.23 0.00 0.00 66.70 63.16 3bjs h VAL 249 Cb -0.00 2.35 -0.01 0.00 -2.13 0.00 0.00 31.29 31.49 3bjs h VAL 249 CO -0.05 0.66 -0.36 -0.07 -1.23 0.00 0.00 177.57 176.52 3bjs h LEU 250 N 0.00 0.29 -0.27 4.19 4.07 -0.73 -0.15 115.31 122.71 3bjs h LEU 250 Ca -0.01 -0.11 -0.12 0.00 0.08 0.00 0.00 57.88 57.72 3bjs h LEU 250 Cb 1.29 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.95 3bjs h LEU 250 CO 0.09 0.63 -0.30 0.00 -1.08 0.00 0.00 178.44 177.79 3bjs h ALA 251 N 1.39 0.40 -0.75 1.53 0.00 -0.97 0.14 119.26 121.00 3bjs h ALA 251 Ca 0.03 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.55 3bjs h ALA 251 Cb 0.76 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3bjs h ALA 251 CO 0.06 0.42 0.49 1.49 0.00 0.00 0.00 179.25 181.71 3bjs h GLU 252 N 0.41 0.95 -0.01 0.00 4.81 -0.85 -1.48 114.58 118.41 3bjs h GLU 252 Ca 0.04 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3bjs h GLU 252 Cb 0.87 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3bjs h GLU 252 CO 0.07 0.63 -0.01 0.44 -0.73 0.00 0.00 179.01 179.41 3bjs n ILE 253 N -4.59 0.00 -3.54 2.32 -6.64 -0.10 -4.96 119.36 101.84 3bjs n ILE 253 Ca 0.08 -0.17 -0.24 0.00 -1.77 0.00 0.00 62.75 60.65 3bjs n ILE 253 Cb 0.04 0.18 0.05 0.00 -1.44 0.00 0.00 39.64 38.47 3bjs n ILE 253 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3bjs n GLN 254 N -0.23 -2.20 -2.24 6.28 6.02 -0.56 -4.97 117.38 119.49 3bjs n GLN 254 Ca 0.20 0.62 -0.37 0.00 -0.01 0.00 0.00 57.00 57.44 3bjs n GLN 254 Cb 0.28 -4.87 -0.01 0.00 1.02 0.00 0.00 30.24 26.67 3bjs n GLN 254 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3bjs s ALA 255 N -3.48 2.95 0.10 -1.58 0.00 0.42 -4.70 121.76 115.47 3bjs s ALA 255 Ca 0.39 0.95 -0.16 0.00 0.00 0.00 0.00 51.96 53.13 3bjs s ALA 255 Cb -0.10 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 3bjs s ALA 255 CO 0.81 -0.70 1.51 0.78 0.00 0.00 0.00 175.76 178.17 3bjs h GLY 256 N 1.98 0.64 -2.91 0.00 0.00 -1.29 -3.44 103.07 98.05 3bjs h GLY 256 Ca -0.49 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 46.34 3bjs h GLY 256 CO 0.60 0.47 0.26 0.66 0.00 0.00 0.00 176.54 178.53 3bjs s TRP 257 N -4.85 -0.45 -0.38 5.60 -2.14 -1.26 -4.39 118.94 111.06 3bjs s TRP 257 Ca -0.13 0.22 -0.10 0.00 2.66 0.00 0.00 56.10 58.75 3bjs s TRP 257 Cb 0.09 0.58 0.04 0.00 -3.10 0.00 0.00 33.47 31.08 3bjs s TRP 257 CO 0.78 -0.85 0.21 -1.17 -2.66 0.00 0.00 176.95 173.25 3bjs s LEU 258 N -2.74 4.77 -0.01 -4.66 2.96 -0.37 -2.15 118.68 116.48 3bjs s LEU 258 Ca 0.03 -1.13 -0.19 0.00 -0.22 0.00 0.00 54.13 52.62 3bjs s LEU 258 Cb -0.02 -2.00 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 3bjs s LEU 258 CO -0.09 -0.42 0.54 -0.70 -1.32 0.00 0.00 176.35 174.36 3bjs s GLU 259 N 1.51 4.24 -0.72 1.98 2.12 0.07 -0.42 118.70 127.47 3bjs s GLU 259 Ca 0.02 0.64 -0.02 0.00 0.36 0.00 0.00 54.97 55.96 3bjs s GLU 259 Cb -0.20 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.87 3bjs s GLU 259 CO 0.05 0.42 0.51 0.39 -0.54 0.00 0.00 175.26 176.09 3bjs n GLU 260 N 2.62 -1.24 0.16 4.30 1.02 0.46 -1.14 120.64 126.82 3bjs n GLU 260 Ca -0.08 0.58 0.03 0.00 -0.02 0.00 0.00 57.16 57.67 3bjs n GLU 260 Cb 0.51 -1.87 0.21 0.00 -0.02 0.00 0.00 31.44 30.28 3bjs n GLU 260 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3bjs h PRO 261 N -0.21 0.00 -5.08 3.49 0.13 -1.83 0.31 132.00 128.80 3bjs h PRO 261 Ca -0.55 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.19 3bjs h PRO 261 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 3bjs h PRO 261 CO 0.32 0.47 -0.65 -0.06 -0.23 0.00 0.00 178.00 177.85 3bjs s PHE 262 N -3.38 1.58 0.56 1.56 0.40 -1.26 -1.19 117.98 116.26 3bjs s PHE 262 Ca 0.01 -0.95 -0.19 0.00 -0.60 0.00 0.00 56.93 55.21 3bjs s PHE 262 Cb 0.10 -0.93 -0.08 0.00 0.51 0.00 0.00 43.02 42.62 3bjs s PHE 262 CO 0.72 -0.06 0.68 0.00 0.70 0.00 0.00 175.22 177.26 3bjs n ALA 263 N -0.44 -0.71 -0.08 5.36 0.00 -1.26 -4.49 120.51 118.90 3bjs n ALA 263 Ca -0.04 0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.50 3bjs n ALA 263 Cb 0.64 -1.92 0.47 0.00 0.00 0.00 0.00 19.45 18.64 3bjs n ALA 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bjs n ASN 265 N -4.47 2.93 -3.87 0.00 0.23 -1.26 -4.74 115.26 104.08 3bjs n ASN 265 Ca 0.08 -1.92 -0.42 0.00 -0.53 0.00 0.00 54.58 51.79 3bjs n ASN 265 Cb 0.29 -0.14 -0.01 0.00 -2.08 0.00 0.00 39.78 37.84 3bjs n ASN 265 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3bjs n ASP 266 N 1.19 3.87 -0.27 0.53 2.03 -0.56 -4.76 116.55 118.59 3bjs n ASP 266 Ca 0.17 -2.83 -0.02 0.00 0.52 0.00 0.00 54.79 52.63 3bjs n ASP 266 Cb 0.55 -1.62 0.16 0.00 -0.72 0.00 0.00 41.12 39.49 3bjs n ASP 266 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3bjs h PHE 267 N 6.55 1.08 -0.09 -0.67 -5.15 -1.85 -3.01 116.94 113.80 3bjs h PHE 267 Ca 0.53 -0.01 -0.17 0.00 -0.20 0.00 0.00 57.97 58.11 3bjs h PHE 267 Cb 0.69 -0.35 -0.01 0.00 0.22 0.00 0.00 35.95 36.50 3bjs h PHE 267 CO 1.43 0.74 -0.68 0.00 -2.00 0.00 0.00 178.31 177.80 3bjs h ALA 268 N 1.38 0.66 -0.21 12.09 0.00 -1.99 -2.79 119.26 128.40 3bjs h ALA 268 Ca 0.29 -0.58 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 3bjs h ALA 268 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3bjs h ALA 268 CO -0.05 0.75 -0.47 0.77 0.00 0.00 0.00 179.25 180.25 3bjs h SER 269 N 0.27 0.77 -0.67 0.00 0.02 -1.96 -3.00 113.55 108.98 3bjs h SER 269 Ca -0.02 -0.56 0.04 0.00 -0.84 0.00 0.00 61.79 60.40 3bjs h SER 269 Cb 1.24 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 3bjs h SER 269 CO 0.12 1.19 0.45 1.88 -1.14 0.00 0.00 176.83 179.33 3bjs h TYR 270 N 0.39 0.77 -0.12 3.45 -1.99 -1.40 -1.09 116.97 116.99 3bjs h TYR 270 Ca -0.00 0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.63 3bjs h TYR 270 Cb 1.08 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 39.54 3bjs h TYR 270 CO 0.09 0.45 -0.47 -0.09 -0.00 0.00 0.00 178.16 178.14 3bjs h ARG 271 N 0.80 0.29 -0.00 4.88 2.43 -1.53 -3.28 114.38 117.97 3bjs h ARG 271 Ca 0.27 -0.16 -0.20 0.00 -0.81 0.00 0.00 59.98 59.08 3bjs h ARG 271 Cb 0.09 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3bjs h ARG 271 CO -0.08 0.70 -0.89 0.93 -1.51 0.00 0.00 179.97 179.12 3bjs h GLU 272 N 0.24 0.27 0.00 0.20 4.39 -1.07 -3.31 114.58 115.29 3bjs h GLU 272 Ca 0.01 -0.29 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 3bjs h GLU 272 Cb 0.91 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 3bjs h GLU 272 CO 0.07 1.00 -0.19 -0.39 -1.16 0.00 0.00 179.01 178.34 3bjs h VAL 273 N 0.15 0.43 0.00 3.13 -1.51 -1.45 -2.77 116.25 114.23 3bjs h VAL 273 Ca -0.05 -1.12 -0.02 0.00 -1.23 0.00 0.00 66.70 64.28 3bjs h VAL 273 Cb 1.52 1.82 -0.00 0.00 -2.13 0.00 0.00 31.29 32.49 3bjs h VAL 273 CO 0.14 0.19 -0.12 0.00 -1.23 0.00 0.00 177.57 176.55 3bjs h ALA 274 N 1.81 1.23 0.00 5.19 0.00 -1.66 -2.58 119.26 123.25 3bjs h ALA 274 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3bjs h ALA 274 Cb 0.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3bjs h ALA 274 CO 0.02 0.15 0.00 0.87 0.00 0.00 0.00 179.25 180.29 3bjs h LYS 275 N 0.00 0.00 0.31 0.00 1.57 -1.65 -3.37 116.57 113.43 3bjs h LYS 275 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3bjs h LYS 275 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3bjs h LYS 275 CO 0.02 0.00 -0.15 0.82 -0.57 0.00 0.00 179.45 179.56 3bjs h ILE 276 N 0.00 0.25 -3.09 1.86 2.04 -1.58 -3.47 117.51 113.52 3bjs h ILE 276 Ca 0.00 -0.77 -0.18 0.00 1.00 0.00 0.00 64.86 64.90 3bjs h ILE 276 Cb 0.74 0.42 -0.28 0.00 -0.74 0.00 0.00 36.82 36.96 3bjs h ILE 276 CO 0.00 0.06 -0.47 0.28 0.00 0.00 0.00 178.15 178.03 3bjs s THR 277 N -3.28 -0.02 -1.90 -0.27 -1.32 -1.26 -5.02 115.64 102.57 3bjs s THR 277 Ca -0.09 0.08 0.29 0.00 -1.21 0.00 0.00 61.69 60.77 3bjs s THR 277 Cb 0.01 -0.36 0.57 0.00 -1.51 0.00 0.00 72.50 71.21 3bjs s THR 277 CO 0.30 0.03 1.92 -0.81 -2.21 0.00 0.00 174.62 173.85 3bjs n PRO 278 N 3.68 0.96 0.08 7.08 -0.04 -1.26 -4.19 135.00 141.30 3bjs n PRO 278 Ca -0.20 -0.33 0.12 0.00 -0.04 0.00 0.00 63.50 63.05 3bjs n PRO 278 Cb 0.55 -1.49 0.20 0.00 -0.04 0.00 0.00 33.50 32.72 3bjs n PRO 278 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3bjs h LEU 279 N 0.81 0.00 -7.40 1.53 3.38 -1.97 -3.42 115.31 108.25 3bjs h LEU 279 Ca 0.00 -0.14 -0.45 0.00 0.09 0.00 0.00 57.88 57.38 3bjs h LEU 279 Cb 0.31 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.67 3bjs h LEU 279 CO 0.00 0.07 -0.76 0.54 0.09 0.00 0.00 178.44 178.38 3bjs s VAL 280 N -3.17 0.35 0.69 1.22 0.11 -1.26 -4.86 120.40 113.47 3bjs s VAL 280 Ca 0.07 -0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 58.98 3bjs s VAL 280 Cb 0.12 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 3bjs s VAL 280 CO 0.70 0.12 1.06 -2.16 -3.33 0.00 0.00 175.10 171.49 3bjs s PRO 281 N 1.97 2.97 -0.02 1.54 0.04 -1.26 -4.78 135.00 135.45 3bjs s PRO 281 Ca 0.04 0.96 -0.15 0.00 0.04 0.00 0.00 61.00 61.88 3bjs s PRO 281 Cb -0.14 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 3bjs s PRO 281 CO -0.06 -1.08 0.41 0.42 0.04 0.00 0.00 177.00 176.73 3bjs s ILE 282 N -3.03 5.06 -0.04 0.56 -1.09 -1.26 -1.24 121.20 120.16 3bjs s ILE 282 Ca 0.58 0.84 0.07 0.00 -2.23 0.00 0.00 60.65 59.91 3bjs s ILE 282 Cb -0.14 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 37.01 3bjs s ILE 282 CO 0.55 0.54 -0.26 0.00 -1.23 0.00 0.00 174.94 174.54 3bjs s ALA 283 N -0.79 2.16 0.07 9.38 0.00 0.43 -2.49 121.76 130.52 3bjs s ALA 283 Ca 0.24 -1.08 -0.22 0.00 0.00 0.00 0.00 51.96 50.89 3bjs s ALA 283 Cb -0.16 -0.61 0.05 0.00 0.00 0.00 0.00 23.12 22.40 3bjs s ALA 283 CO 0.12 0.47 0.52 0.00 0.00 0.00 0.00 175.76 176.88 3bjs s ALA 284 N -0.39 -1.32 0.00 0.00 0.00 -0.93 -0.40 121.76 118.71 3bjs s ALA 284 Ca 0.03 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.50 3bjs s ALA 284 Cb -0.12 0.49 0.00 0.00 0.00 0.00 0.00 23.12 23.49 3bjs s ALA 284 CO 0.01 -0.56 0.00 0.41 0.00 0.00 0.00 175.76 175.62 3bjs n GLY 285 N 0.22 0.35 0.22 0.00 0.00 -1.26 -0.86 105.19 103.86 3bjs n GLY 285 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3bjs n GLY 285 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3bjs h GLU 286 N 0.00 0.20 -0.91 1.61 5.08 -1.85 -2.32 114.58 116.40 3bjs h GLU 286 Ca 0.00 -0.01 -0.54 0.00 -1.00 0.00 0.00 59.36 57.81 3bjs h GLU 286 Cb 0.00 -0.05 -0.28 0.00 0.50 0.00 0.00 28.75 28.92 3bjs h GLU 286 CO 0.00 0.14 0.56 0.09 -1.00 0.00 0.00 179.01 178.80 3bjs n ASN 287 N -5.17 5.09 -4.09 1.42 3.02 -1.26 -4.69 115.26 109.59 3bjs n ASN 287 Ca 0.08 -3.71 -0.26 0.00 -0.03 0.00 0.00 54.58 50.67 3bjs n ASN 287 Cb 0.32 -0.84 -0.16 0.00 -0.61 0.00 0.00 39.78 38.49 3bjs n ASN 287 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3bjs s HIS 288 N -3.50 1.67 -0.04 3.10 3.76 -0.87 -4.86 115.29 114.54 3bjs s HIS 288 Ca 0.58 -0.58 0.04 0.00 -0.15 0.00 0.00 55.06 54.95 3bjs s HIS 288 Cb 0.48 -1.17 -0.00 0.00 1.11 0.00 0.00 32.58 33.00 3bjs s HIS 288 CO 0.05 -0.25 -0.16 0.71 -0.85 0.00 0.00 174.74 174.24 3bjs s TYR 289 N 0.40 1.55 0.44 1.40 2.02 -1.26 -4.39 117.35 117.50 3bjs s TYR 289 Ca -0.11 -0.42 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 3bjs s TYR 289 Cb -0.14 -1.05 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 3bjs s TYR 289 CO 0.04 -0.14 0.00 0.25 -1.57 0.00 0.00 175.55 174.13 3bjs n THR 290 N 3.13 -0.77 0.44 -0.71 -2.24 -0.10 -3.94 114.28 110.09 3bjs n THR 290 Ca -0.18 0.71 0.10 0.00 -2.27 0.00 0.00 64.05 62.41 3bjs n THR 290 Cb 0.53 -1.07 0.42 0.00 -2.10 0.00 0.00 70.33 68.11 3bjs n THR 290 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3bjs n ARG 291 N -3.57 0.11 0.13 -0.78 1.85 -1.26 -2.82 116.66 110.31 3bjs n ARG 291 Ca -0.06 0.35 0.01 0.00 -1.00 0.00 0.00 57.85 57.14 3bjs n ARG 291 Cb 0.48 -1.72 0.01 0.00 -1.05 0.00 0.00 32.46 30.18 3bjs n ARG 291 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3bjs h PHE 292 N 0.00 0.00 0.12 2.89 0.04 -1.98 0.18 116.94 118.18 3bjs h PHE 292 Ca 0.00 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.47 3bjs h PHE 292 Cb 0.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 3bjs h PHE 292 CO 0.00 0.60 -1.45 0.93 -0.60 0.00 0.00 178.31 177.79 3bjs h GLU 293 N 0.00 0.24 -0.13 1.51 5.08 -1.64 -2.96 114.58 116.68 3bjs h GLU 293 Ca -0.01 -0.42 -0.12 0.00 -1.00 0.00 0.00 59.36 57.81 3bjs h GLU 293 Cb 1.44 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.83 3bjs h GLU 293 CO 0.08 1.12 -0.46 0.74 -1.00 0.00 0.00 179.01 179.49 3bjs h PHE 294 N 0.07 0.39 -0.45 4.33 0.04 -1.56 -2.81 116.94 116.95 3bjs h PHE 294 Ca -0.21 -0.12 -0.06 0.00 2.80 0.00 0.00 57.97 60.38 3bjs h PHE 294 Cb 2.00 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 40.05 3bjs h PHE 294 CO 0.06 0.73 0.04 0.78 -0.60 0.00 0.00 178.31 179.32 3bjs h GLY 295 N 1.23 0.76 1.76 -1.45 0.00 -0.73 -1.41 103.07 103.23 3bjs h GLY 295 Ca 0.02 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 3bjs h GLY 295 CO 0.08 0.44 -0.28 1.46 0.00 0.00 0.00 176.54 178.23 3bjs h GLN 296 N 0.67 0.28 -0.00 4.80 4.20 -1.36 -2.84 115.11 120.87 3bjs h GLN 296 Ca 0.14 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3bjs h GLN 296 Cb 0.36 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3bjs h GLN 296 CO 0.01 0.55 -0.39 0.00 -0.67 0.00 0.00 178.83 178.32 3bjs n MET 297 N -4.13 0.28 -0.02 1.46 0.00 -1.03 -2.94 117.12 110.74 3bjs n MET 297 Ca -0.01 -0.16 -0.13 0.00 0.00 0.00 0.00 57.70 57.40 3bjs n MET 297 Cb 0.39 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 32.02 3bjs n MET 297 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 3bjs h LEU 298 N 0.39 0.05 -0.61 3.17 5.85 -1.02 -3.12 115.31 120.01 3bjs h LEU 298 Ca 0.00 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.20 3bjs h LEU 298 Cb 0.50 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3bjs h LEU 298 CO 0.00 0.56 -0.07 -0.90 -0.34 0.00 0.00 178.44 177.69 3bjs n ASP 299 N -4.80 1.02 0.08 1.25 5.75 -1.16 -2.19 116.55 116.51 3bjs n ASP 299 Ca -0.08 -1.15 -0.07 0.00 -0.01 0.00 0.00 54.79 53.48 3bjs n ASP 299 Cb 0.28 0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.35 3bjs n ASP 299 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bjs h ALA 300 N 4.04 0.51 0.00 2.12 0.00 -1.63 -3.48 119.26 120.83 3bjs h ALA 300 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3bjs h ALA 300 Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3bjs h ALA 300 CO 0.00 1.06 0.00 0.41 0.00 0.00 0.00 179.25 180.72 3bjs n GLY 301 N 1.02 0.66 0.12 0.00 0.00 -0.93 -4.88 105.19 101.18 3bjs n GLY 301 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 3bjs n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjs h ALA 302 N 0.00 -0.07 -2.57 4.61 0.00 -1.86 -3.43 119.26 115.95 3bjs h ALA 302 Ca 0.00 -0.68 -0.64 0.00 0.00 0.00 0.00 54.91 53.59 3bjs h ALA 302 Cb 0.02 0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.76 3bjs h ALA 302 CO 0.00 0.39 -0.13 0.08 0.00 0.00 0.00 179.25 179.59 3bjs s VAL 303 N -2.58 5.09 -1.34 0.00 1.01 -1.26 -4.52 120.40 116.79 3bjs s VAL 303 Ca -0.13 0.46 0.12 0.00 0.00 0.00 0.00 61.98 62.44 3bjs s VAL 303 Cb 0.01 -3.85 0.21 0.00 0.00 0.00 0.00 36.38 32.76 3bjs s VAL 303 CO 0.84 -0.04 1.07 0.00 0.00 0.00 0.00 175.10 176.97 3bjs n GLN 304 N 5.55 1.69 -3.83 2.72 1.13 -1.08 -4.85 117.38 118.71 3bjs n GLN 304 Ca -0.06 -1.64 -0.27 0.00 -1.94 0.00 0.00 57.00 53.08 3bjs n GLN 304 Cb 0.50 -1.27 -0.17 0.00 0.11 0.00 0.00 30.24 29.41 3bjs n GLN 304 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3bjs s VAL 305 N -1.03 0.87 -0.18 5.09 1.01 -1.04 -4.32 120.40 120.80 3bjs s VAL 305 Ca 0.20 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 3bjs s VAL 305 Cb 0.12 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 3bjs s VAL 305 CO 0.17 0.03 0.16 0.26 0.00 0.00 0.00 175.10 175.72 3bjs s TRP 306 N 1.73 3.44 -0.55 5.22 0.52 -1.05 -2.20 118.94 126.05 3bjs s TRP 306 Ca 0.00 0.40 0.07 0.00 0.02 0.00 0.00 56.10 56.59 3bjs s TRP 306 Cb -0.16 -2.17 0.29 0.00 -1.15 0.00 0.00 33.47 30.28 3bjs s TRP 306 CO -0.07 0.33 0.76 1.04 0.02 0.00 0.00 176.95 179.03 3bjs n GLN 307 N 3.36 2.26 -2.31 4.98 6.02 -0.04 -2.09 117.38 129.56 3bjs n GLN 307 Ca -0.16 -4.35 -0.36 0.00 -0.01 0.00 0.00 57.00 52.12 3bjs n GLN 307 Cb 0.52 -2.02 -0.01 0.00 1.02 0.00 0.00 30.24 29.75 3bjs n GLN 307 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3bjs s PRO 308 N -2.54 3.64 -0.22 -1.09 0.04 -1.26 -2.53 135.00 131.05 3bjs s PRO 308 Ca 0.42 1.65 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 3bjs s PRO 308 Cb 0.21 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3bjs s PRO 308 CO -0.07 -0.62 0.09 0.34 0.04 0.00 0.00 177.00 176.78 3bjs s ASP 309 N -1.60 5.60 0.44 6.66 -1.08 -1.26 -1.47 116.67 123.96 3bjs s ASP 309 Ca 0.67 0.00 0.30 0.00 -0.52 0.00 0.00 52.55 53.00 3bjs s ASP 309 Cb -0.25 -1.99 1.25 0.00 -1.46 0.00 0.00 42.92 40.48 3bjs s ASP 309 CO 0.30 0.09 1.89 -0.07 0.52 0.00 0.00 175.17 177.89 3bjs h LEU 310 N 7.35 0.00 -1.05 -1.34 3.38 -1.86 0.30 115.31 122.10 3bjs h LEU 310 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3bjs h LEU 310 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3bjs h LEU 310 CO 0.65 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.98 3bjs n SER 311 N -2.75 1.59 0.00 -0.43 7.64 -1.26 -3.06 113.62 115.35 3bjs n SER 311 Ca 0.01 -1.62 0.00 0.00 1.01 0.00 0.00 58.87 58.27 3bjs n SER 311 Cb 0.26 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 3bjs n SER 311 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3bjs n LYS 312 N 0.26 0.00 0.07 1.43 5.02 -0.28 -2.30 118.16 122.36 3bjs n LYS 312 Ca 0.17 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.58 3bjs n LYS 312 Cb 0.34 -0.45 0.44 0.00 -0.02 0.00 0.00 35.03 35.35 3bjs n LYS 312 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bjs n GLY 314 N 0.46 -0.47 0.00 0.00 0.00 -1.25 -0.92 105.19 103.01 3bjs n GLY 314 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3bjs n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bjs n GLY 315 N 0.00 -1.04 0.18 -0.02 0.00 -1.17 -4.18 105.19 98.96 3bjs n GLY 315 Ca 0.00 -2.11 -0.17 0.00 0.00 0.00 0.00 46.02 43.73 3bjs n GLY 315 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3bjs h ILE 316 N 0.00 1.33 -0.14 -0.61 2.04 -1.82 -1.40 117.51 116.92 3bjs h ILE 316 Ca 0.00 -1.99 0.05 0.00 1.00 0.00 0.00 64.86 63.91 3bjs h ILE 316 Cb 0.00 2.24 -0.05 0.00 -0.74 0.00 0.00 36.82 38.27 3bjs h ILE 316 CO 0.00 0.61 -0.21 0.74 0.00 0.00 0.00 178.15 179.29 3bjs h THR 317 N 0.25 0.48 -0.02 -0.27 2.02 -1.90 0.01 112.91 113.48 3bjs h THR 317 Ca -0.07 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 3bjs h THR 317 Cb 1.36 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3bjs h THR 317 CO 0.14 0.00 -0.64 -0.08 0.37 0.00 0.00 175.52 175.31 3bjs h GLU 318 N -0.26 0.09 -0.51 6.66 4.57 -1.73 -3.03 114.58 120.38 3bjs h GLU 318 Ca 0.10 -0.07 0.07 0.00 -1.18 0.00 0.00 59.36 58.28 3bjs h GLU 318 Cb 0.41 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.95 3bjs h GLU 318 CO -0.29 0.70 0.18 0.78 -1.18 0.00 0.00 179.01 179.20 3bjs h GLY 319 N 1.75 0.68 0.87 1.92 0.00 -0.64 -0.21 103.07 107.45 3bjs h GLY 319 Ca -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.24 3bjs h GLY 319 CO 0.09 0.00 0.13 -2.22 0.00 0.00 0.00 176.54 174.54 3bjs h ILE 320 N 0.35 0.99 -0.46 2.60 2.04 -0.93 -1.82 117.51 120.29 3bjs h ILE 320 Ca 0.25 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.91 3bjs h ILE 320 Cb 0.28 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3bjs h ILE 320 CO -0.26 0.05 -0.14 0.03 0.00 0.00 0.00 178.15 177.83 3bjs h ARG 321 N 0.27 0.86 -0.39 2.37 3.08 -1.34 0.53 114.38 119.75 3bjs h ARG 321 Ca 0.11 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.80 3bjs h ARG 321 Cb 0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3bjs h ARG 321 CO -0.08 0.95 0.06 0.82 -1.07 0.00 0.00 179.97 180.65 3bjs h ILE 322 N 0.76 1.24 -0.20 2.04 2.04 -1.00 -2.90 117.51 119.49 3bjs h ILE 322 Ca 0.12 -0.87 -0.10 0.00 1.00 0.00 0.00 64.86 65.00 3bjs h ILE 322 Cb 0.66 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3bjs h ILE 322 CO 0.05 0.30 -0.33 0.00 0.00 0.00 0.00 178.15 178.16 3bjs h ALA 323 N 0.92 1.07 -0.31 1.87 0.00 -1.00 -2.61 119.26 119.20 3bjs h ALA 323 Ca 0.12 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 3bjs h ALA 323 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3bjs h ALA 323 CO 0.01 0.58 -0.37 0.00 0.00 0.00 0.00 179.25 179.47 3bjs h ALA 324 N 1.30 0.77 -0.53 0.00 0.00 -0.88 0.27 119.26 120.18 3bjs h ALA 324 Ca 0.04 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 3bjs h ALA 324 Cb 0.75 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3bjs h ALA 324 CO 0.06 0.65 0.13 1.98 0.00 0.00 0.00 179.25 182.07 3bjs h MET 325 N 0.60 0.86 -0.17 0.00 -1.53 -1.45 -2.92 114.93 110.31 3bjs h MET 325 Ca 0.06 -0.21 -0.08 0.00 -3.44 0.00 0.00 59.70 56.03 3bjs h MET 325 Cb 0.90 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.83 3bjs h MET 325 CO 0.08 0.82 -0.25 0.00 0.14 0.00 0.00 176.91 177.70 3bjs h ALA 326 N 1.01 1.28 -0.90 0.39 0.00 -1.23 -3.15 119.26 116.65 3bjs h ALA 326 Ca 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 3bjs h ALA 326 Cb 0.34 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3bjs h ALA 326 CO 0.00 0.48 0.49 1.03 0.00 0.00 0.00 179.25 181.26 3bjs h SER 327 N 0.27 1.12 1.02 0.00 0.87 -0.75 0.11 113.55 116.19 3bjs h SER 327 Ca 0.04 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.47 3bjs h SER 327 Cb 0.59 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3bjs h SER 327 CO 0.04 0.90 -0.18 0.00 -0.53 0.00 0.00 176.83 177.06 3bjs h ALA 328 N 1.27 1.00 -0.43 6.23 0.00 -1.50 -2.94 119.26 122.89 3bjs h ALA 328 Ca 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3bjs h ALA 328 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bjs h ALA 328 CO -0.05 0.22 0.00 0.66 0.00 0.00 0.00 179.25 180.08 3bjs n TYR 329 N -3.31 0.56 -2.90 0.00 4.01 -0.83 -4.97 117.16 109.72 3bjs n TYR 329 Ca 0.00 -0.36 -0.21 0.00 -0.16 0.00 0.00 57.90 57.18 3bjs n TYR 329 Cb 0.42 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.46 3bjs n TYR 329 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3bjs n ARG 330 N 1.18 -3.68 -3.12 -0.72 3.00 -0.15 -4.98 116.66 108.20 3bjs n ARG 330 Ca 0.17 0.81 -0.40 0.00 -0.00 0.00 0.00 57.85 58.43 3bjs n ARG 330 Cb 0.53 -5.57 -0.06 0.00 0.00 0.00 0.00 32.46 27.35 3bjs n ARG 330 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3bjs s ILE 331 N -3.04 5.01 0.29 5.15 1.01 0.20 -5.01 121.20 124.81 3bjs s ILE 331 Ca 0.23 1.15 -0.29 0.00 0.00 0.00 0.00 60.65 61.74 3bjs s ILE 331 Cb -0.11 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 3bjs s ILE 331 CO 0.28 0.07 1.33 -2.16 0.00 0.00 0.00 174.94 174.46 3bjs s PRO 332 N 2.20 4.35 -0.49 2.79 0.04 -1.26 -4.39 135.00 138.24 3bjs s PRO 332 Ca 0.27 2.20 -0.15 0.00 0.04 0.00 0.00 61.00 63.36 3bjs s PRO 332 Cb -0.16 -3.10 0.09 0.00 0.04 0.00 0.00 34.50 31.38 3bjs s PRO 332 CO 0.09 -0.24 0.42 0.42 0.04 0.00 0.00 177.00 177.74 3bjs s ILE 333 N -0.71 5.14 -0.90 0.56 -1.09 -0.07 -2.52 121.20 121.61 3bjs s ILE 333 Ca 0.52 -1.26 -0.04 0.00 -2.23 0.00 0.00 60.65 57.64 3bjs s ILE 333 Cb -0.39 -4.16 0.22 0.00 -1.58 0.00 0.00 42.46 36.55 3bjs s ILE 333 CO 0.48 -0.68 0.80 0.20 -1.23 0.00 0.00 174.94 174.51 3bjs s ASN 334 N 2.92 6.21 0.45 3.58 0.01 -0.89 -0.80 114.94 126.43 3bjs s ASN 334 Ca 0.04 -3.52 -0.25 0.00 -0.71 0.00 0.00 52.86 48.42 3bjs s ASN 334 Cb -0.26 -1.98 -0.09 0.00 0.41 0.00 0.00 41.25 39.33 3bjs s ASN 334 CO 0.05 -0.25 1.30 0.00 -1.51 0.00 0.00 177.10 176.69 3bjs n ALA 335 N 2.66 1.44 -2.38 0.60 0.00 -1.23 -4.43 120.51 117.17 3bjs n ALA 335 Ca 0.20 0.23 -0.39 0.00 0.00 0.00 0.00 53.44 53.48 3bjs n ALA 335 Cb 0.38 -2.30 -0.06 0.00 0.00 0.00 0.00 19.45 17.48 3bjs n ALA 335 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3bjs s HIS 336 N -1.22 3.74 -0.06 0.00 2.46 -0.54 -3.79 115.29 115.87 3bjs s HIS 336 Ca 0.63 1.32 -0.08 0.00 0.47 0.00 0.00 55.06 57.39 3bjs s HIS 336 Cb -0.48 -2.66 -0.05 0.00 -0.13 0.00 0.00 32.58 29.27 3bjs s HIS 336 CO 0.56 0.39 0.23 -1.12 -2.47 0.00 0.00 174.74 172.33 3bjs s SER 337 N -0.40 6.50 0.00 9.88 0.01 -1.26 -4.30 113.70 124.13 3bjs s SER 337 Ca 0.33 0.59 0.00 0.00 1.31 0.00 0.00 55.95 58.18 3bjs s SER 337 Cb -0.19 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.92 3bjs s SER 337 CO 0.20 0.35 0.00 -1.20 0.41 0.00 0.00 173.24 173.00 3bjs n SER 338 N 1.72 0.00 -0.07 2.44 7.64 -1.26 -5.01 113.62 119.08 3bjs n SER 338 Ca -0.16 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.66 3bjs n SER 338 Cb 0.54 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 3bjs n SER 338 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3bjs h ALA 339 N -1.46 0.03 -2.40 -0.43 0.00 -1.97 -3.48 119.26 109.56 3bjs h ALA 339 Ca 0.00 -0.41 -0.50 0.00 0.00 0.00 0.00 54.91 53.99 3bjs h ALA 339 Cb 0.00 0.33 0.08 0.00 0.00 0.00 0.00 17.79 18.20 3bjs h ALA 339 CO 0.00 0.33 0.40 0.95 0.00 0.00 0.00 179.25 180.92 3bjs s THR 340 N -2.02 4.03 -0.61 0.00 -4.23 -1.26 -3.33 115.64 108.22 3bjs s THR 340 Ca -0.12 0.66 0.23 0.00 -1.18 0.00 0.00 61.69 61.29 3bjs s THR 340 Cb 0.01 -3.58 0.24 0.00 1.34 0.00 0.00 72.50 70.52 3bjs s THR 340 CO 0.22 -0.86 1.71 0.61 -0.54 0.00 0.00 174.62 175.75 3bjs n GLY 341 N -2.61 -1.35 0.17 3.99 0.00 -0.71 -2.67 105.19 102.02 3bjs n GLY 341 Ca 0.07 0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.99 3bjs n GLY 341 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3bjs h LEU 342 N 0.00 -0.30 -0.87 0.99 3.38 -1.89 -1.17 115.31 115.44 3bjs h LEU 342 Ca 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3bjs h LEU 342 Cb 0.44 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3bjs h LEU 342 CO 0.00 -0.08 0.52 -1.13 0.09 0.00 0.00 178.44 177.84 3bjs h ASN 343 N -0.52 1.06 -0.34 -0.43 -0.73 -1.90 -1.13 115.58 111.59 3bjs h ASN 343 Ca -0.04 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.06 3bjs h ASN 343 Cb 0.39 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.69 3bjs h ASN 343 CO 0.06 0.82 0.22 0.45 -0.37 0.00 0.00 177.43 178.61 3bjs h HIS 344 N 1.20 0.42 -0.40 0.67 3.86 -1.52 -0.26 115.15 119.13 3bjs h HIS 344 Ca 0.31 0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.55 3bjs h HIS 344 Cb -0.04 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3bjs h HIS 344 CO 0.00 0.27 0.24 0.00 0.86 0.00 0.00 177.93 179.30 3bjs h ALA 345 N 1.13 0.50 -0.74 2.45 0.00 -0.82 -2.03 119.26 119.75 3bjs h ALA 345 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3bjs h ALA 345 Cb -0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3bjs h ALA 345 CO -0.03 -0.09 0.34 0.00 0.00 0.00 0.00 179.25 179.47 3bjs h ALA 346 N 1.17 0.95 -0.25 0.00 0.00 -0.99 -1.75 119.26 118.40 3bjs h ALA 346 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3bjs h ALA 346 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3bjs h ALA 346 CO -0.06 0.53 0.08 1.15 0.00 0.00 0.00 179.25 180.95 3bjs h THR 347 N 1.04 1.19 -0.53 0.00 2.02 -0.83 -0.57 112.91 115.22 3bjs h THR 347 Ca 0.25 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 3bjs h THR 347 Cb 0.14 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 3bjs h THR 347 CO -0.03 0.20 0.10 0.40 0.37 0.00 0.00 175.52 176.56 3bjs h ILE 348 N 0.24 1.25 -0.69 3.11 2.04 -1.29 0.41 117.51 122.57 3bjs h ILE 348 Ca 0.08 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 65.05 3bjs h ILE 348 Cb 0.23 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.09 3bjs h ILE 348 CO -0.00 0.34 0.42 0.45 0.00 0.00 0.00 178.15 179.36 3bjs h HIS 349 N 0.76 0.79 0.15 1.37 3.86 -1.24 -1.68 115.15 119.16 3bjs h HIS 349 Ca 0.16 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 3bjs h HIS 349 Cb 0.39 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3bjs h HIS 349 CO 0.03 0.44 -0.07 0.35 0.86 0.00 0.00 177.93 179.53 3bjs h PHE 350 N 0.82 -0.19 0.00 2.45 3.04 -0.66 -3.16 116.94 119.24 3bjs h PHE 350 Ca 0.29 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.18 3bjs h PHE 350 Cb 0.06 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.63 3bjs h PHE 350 CO -0.05 0.01 -0.23 -0.07 -2.02 0.00 0.00 178.31 175.96 3bjs h LEU 351 N -0.36 0.00 -1.04 0.59 3.38 -0.79 -0.04 115.31 117.04 3bjs h LEU 351 Ca -0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3bjs h LEU 351 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3bjs h LEU 351 CO 0.03 0.23 -0.35 0.00 0.09 0.00 0.00 178.44 178.44 3bjs h ALA 352 N 1.77 1.20 0.00 1.53 0.00 -1.29 -3.08 119.26 119.38 3bjs h ALA 352 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3bjs h ALA 352 Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3bjs h ALA 352 CO 0.03 0.54 -1.23 0.00 0.00 0.00 0.00 179.25 178.58 3bjs n ALA 353 N -2.48 3.83 -2.66 0.00 0.00 -0.92 -4.24 120.51 114.04 3bjs n ALA 353 Ca -0.01 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.49 3bjs n ALA 353 Cb 0.43 -0.84 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 3bjs n ALA 353 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3bjs s THR 354 N -3.19 4.78 0.15 0.00 2.01 -0.07 -4.65 115.64 114.66 3bjs s THR 354 Ca 0.03 1.83 -0.18 0.00 0.31 0.00 0.00 61.69 63.67 3bjs s THR 354 Cb 0.15 -4.22 0.02 0.00 0.01 0.00 0.00 72.50 68.46 3bjs s THR 354 CO 0.85 -0.08 1.70 -0.08 -0.69 0.00 0.00 174.62 176.33 3bjs h GLU 355 N 7.43 0.06 -1.01 4.92 4.22 -1.90 -3.08 114.58 125.22 3bjs h GLU 355 Ca -0.24 -0.00 -0.57 0.00 0.08 0.00 0.00 59.36 58.63 3bjs h GLU 355 Cb 1.10 -0.01 -0.29 0.00 0.50 0.00 0.00 28.75 30.04 3bjs h GLU 355 CO 0.90 0.04 0.73 0.27 -2.18 0.00 0.00 179.01 178.77 3bjs n ASN 356 N -5.19 5.26 -4.75 1.04 6.94 -1.26 -4.99 115.26 112.31 3bjs n ASN 356 Ca -0.00 -3.64 -0.41 0.00 -0.02 0.00 0.00 54.58 50.51 3bjs n ASN 356 Cb 0.16 -0.89 -0.04 0.00 -2.36 0.00 0.00 39.78 36.65 3bjs n ASN 356 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3bjs s ALA 357 N -3.42 3.44 0.00 -2.53 0.00 -1.17 -0.89 121.76 117.19 3bjs s ALA 357 Ca 0.59 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.54 3bjs s ALA 357 Cb 0.48 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 20.21 3bjs s ALA 357 CO 0.06 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3bjs n GLY 358 N 1.49 0.17 3.82 0.00 0.00 0.02 -4.78 105.19 105.92 3bjs n GLY 358 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3bjs n GLY 358 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bjs s TYR 359 N 1.21 3.20 -0.19 1.61 1.51 -1.26 -4.46 117.35 118.97 3bjs s TYR 359 Ca 0.00 0.01 -0.10 0.00 -1.01 0.00 0.00 57.07 55.96 3bjs s TYR 359 Cb 0.00 -1.54 -0.05 0.00 -0.11 0.00 0.00 41.96 40.26 3bjs s TYR 359 CO 0.00 0.52 0.16 0.12 -1.11 0.00 0.00 175.55 175.24 3bjs s PHE 360 N -1.74 3.43 -0.49 2.71 2.19 -0.27 -3.49 117.98 120.33 3bjs s PHE 360 Ca 0.31 0.39 -0.29 0.00 0.33 0.00 0.00 56.93 57.68 3bjs s PHE 360 Cb -0.10 -2.17 0.03 0.00 -1.31 0.00 0.00 43.02 39.46 3bjs s PHE 360 CO 0.24 0.32 1.19 -2.00 1.83 0.00 0.00 175.22 176.80 3bjs s GLU 361 N 0.26 3.65 -0.21 10.12 2.12 -1.25 -1.74 118.70 131.65 3bjs s GLU 361 Ca 0.10 0.54 -0.17 0.00 0.36 0.00 0.00 54.97 55.80 3bjs s GLU 361 Cb -0.11 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.29 3bjs s GLU 361 CO -0.01 -1.48 0.43 0.00 -0.54 0.00 0.00 175.26 173.67 3bjs s ALA 362 N 4.71 3.56 -0.25 6.30 0.00 -0.38 -4.62 121.76 131.08 3bjs s ALA 362 Ca 0.49 -0.54 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 3bjs s ALA 362 Cb -0.08 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.33 3bjs s ALA 362 CO 0.31 -0.42 1.19 0.00 0.00 0.00 0.00 175.76 176.84 3bjs n VAL 364 N 5.70 0.20 -2.14 0.00 0.24 -1.18 -4.96 118.33 116.19 3bjs n VAL 364 Ca 0.13 -0.60 -0.42 0.00 -2.04 0.00 0.00 64.34 61.42 3bjs n VAL 364 Cb 0.46 0.92 -0.03 0.00 -1.47 0.00 0.00 33.84 33.72 3bjs n VAL 364 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3bjs s SER 365 N -0.27 6.80 0.00 -1.34 1.04 -1.26 -4.94 113.70 113.72 3bjs s SER 365 Ca 0.02 2.47 0.26 0.00 0.48 0.00 0.00 55.95 59.17 3bjs s SER 365 Cb 0.01 -2.61 0.53 0.00 0.10 0.00 0.00 66.02 64.06 3bjs s SER 365 CO 0.01 -0.62 1.44 1.17 0.98 0.00 0.00 173.24 176.23 3bjs n LYS 366 N 2.91 1.80 -2.06 4.02 4.81 -1.26 -4.00 118.16 124.38 3bjs n LYS 366 Ca 0.08 -1.32 -0.39 0.00 -0.87 0.00 0.00 58.31 55.81 3bjs n LYS 366 Cb 0.42 -1.47 -0.00 0.00 0.02 0.00 0.00 35.03 33.99 3bjs n LYS 366 CO 0.00 0.00 0.00 1.97 1.17 0.00 0.00 177.40 180.54 3bjs n PHE 367 N 0.55 2.55 -3.40 5.64 -1.74 -1.26 -4.80 117.46 115.01 3bjs n PHE 367 Ca 0.15 -2.70 -0.21 0.00 -0.56 0.00 0.00 57.45 54.14 3bjs n PHE 367 Cb 0.47 -1.68 -0.10 0.00 1.52 0.00 0.00 39.48 39.70 3bjs n PHE 367 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 3bjs s ASN 368 N 0.05 1.85 0.49 5.98 3.04 -1.26 -5.01 114.94 120.08 3bjs s ASN 368 Ca 0.52 -1.51 0.28 0.00 0.04 0.00 0.00 52.86 52.19 3bjs s ASN 368 Cb 0.21 0.27 0.80 0.00 -1.54 0.00 0.00 41.25 40.98 3bjs s ASN 368 CO -0.12 -0.31 1.78 1.55 -3.04 0.00 0.00 177.10 176.96 3bjs h PRO 369 N 7.42 0.00 -0.21 0.43 0.13 -1.94 -3.30 132.00 134.54 3bjs h PRO 369 Ca -0.01 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3bjs h PRO 369 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 3bjs h PRO 369 CO 0.26 0.00 -0.16 0.74 -0.23 0.00 0.00 178.00 178.61 3bjs h PHE 370 N 0.00 0.37 -0.15 1.56 0.04 -1.95 -1.03 116.94 115.78 3bjs h PHE 370 Ca -0.00 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 3bjs h PHE 370 Cb 0.78 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 3bjs h PHE 370 CO 0.00 0.50 0.05 -0.09 -0.60 0.00 0.00 178.31 178.17 3bjs h ARG 371 N 0.32 0.23 -0.63 1.51 2.43 -1.63 -1.87 114.38 114.75 3bjs h ARG 371 Ca 0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3bjs h ARG 371 Cb 0.48 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3bjs h ARG 371 CO 0.03 0.35 0.00 -0.25 -1.51 0.00 0.00 179.97 178.59 3bjs n ASP 372 N -4.85 3.65 -0.30 -3.80 10.43 -1.11 -3.85 116.55 116.72 3bjs n ASP 372 Ca -0.05 -2.16 0.10 0.00 2.57 0.00 0.00 54.79 55.25 3bjs n ASP 372 Cb 0.14 -0.46 0.33 0.00 1.84 0.00 0.00 41.12 42.96 3bjs n ASP 372 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 3bjs h MET 373 N 3.55 0.78 -2.07 -1.24 4.05 -1.20 -3.32 114.93 115.49 3bjs h MET 373 Ca 0.00 -0.05 -0.53 0.00 -0.28 0.00 0.00 59.70 58.85 3bjs h MET 373 Cb 1.02 -0.18 -0.35 0.00 -0.80 0.00 0.00 31.60 31.29 3bjs h MET 373 CO 0.09 0.51 -0.95 1.97 0.23 0.00 0.00 176.91 178.77 3bjs n PHE 374 N -4.58 -1.18 -1.15 1.39 -1.74 -1.26 -4.97 117.46 103.96 3bjs n PHE 374 Ca 0.18 -3.12 0.00 0.00 -0.56 0.00 0.00 57.45 53.95 3bjs n PHE 374 Cb 0.42 0.29 0.00 0.00 1.52 0.00 0.00 39.48 41.72 3bjs n PHE 374 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3bjs n GLY 375 N 2.49 0.59 7.00 4.97 0.00 -1.25 -4.69 105.19 114.30 3bjs n GLY 375 Ca 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3bjs n GLY 375 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bjs n THR 376 N -1.02 0.00 0.00 2.61 -2.24 -1.25 -5.02 114.28 107.36 3bjs n THR 376 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3bjs n THR 376 Cb 0.38 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3bjs n THR 376 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3bjs n PHE 378 N 7.82 0.00 -3.78 4.78 -1.74 -1.26 -4.78 117.46 118.50 3bjs n PHE 378 Ca 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.75 3bjs n PHE 378 Cb 0.00 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 40.85 3bjs n PHE 378 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 3bjs s GLU 379 N 0.00 0.04 -0.15 3.97 2.12 -1.26 -5.12 118.70 118.30 3bjs s GLU 379 Ca 0.00 0.23 -0.23 0.00 0.36 0.00 0.00 54.97 55.33 3bjs s GLU 379 Cb 0.00 -0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.21 3bjs s GLU 379 CO 0.00 -0.13 0.73 -1.50 -0.54 0.00 0.00 175.26 173.82 3bjs s ILE 380 N 0.86 4.97 0.90 -3.70 2.07 -1.26 -4.57 121.20 120.47 3bjs s ILE 380 Ca -0.07 1.45 -0.11 0.00 -1.41 0.00 0.00 60.65 60.50 3bjs s ILE 380 Cb -0.09 -4.05 0.19 0.00 0.13 0.00 0.00 42.46 38.63 3bjs s ILE 380 CO -0.03 0.12 1.23 -0.83 -1.91 0.00 0.00 174.94 173.52 3bjs s GLY 381 N 1.07 1.78 0.14 1.50 0.00 -0.62 -4.93 107.32 106.26 3bjs s GLY 381 Ca 0.35 -1.40 0.23 0.00 0.00 0.00 0.00 44.72 43.90 3bjs s GLY 381 CO 0.13 -0.68 1.72 0.00 0.00 0.00 0.00 173.10 174.27 3bjs n ALA 382 N -3.51 1.95 1.43 3.20 0.00 -1.26 -1.87 120.51 120.45 3bjs n ALA 382 Ca 0.16 -0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.74 3bjs n ALA 382 Cb 0.60 -1.39 0.75 0.00 0.00 0.00 0.00 19.45 19.41 3bjs n ALA 382 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3bjs n ASP 383 N -1.94 0.03 -0.08 0.00 3.85 -1.26 -4.89 116.55 112.26 3bjs n ASP 383 Ca 0.04 -0.18 -0.01 0.00 -0.71 0.00 0.00 54.79 53.94 3bjs n ASP 383 Cb 0.29 -0.27 -0.00 0.00 -1.35 0.00 0.00 41.12 39.79 3bjs n ASP 383 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3bjs n GLY 384 N 1.28 0.41 3.31 6.12 0.00 -0.78 -4.87 105.19 110.65 3bjs n GLY 384 Ca 0.14 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 3bjs n GLY 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bjs s VAL 386 N -2.69 0.02 0.01 0.00 1.01 -0.42 -1.58 120.40 116.74 3bjs s VAL 386 Ca 0.01 -0.18 0.08 0.00 0.00 0.00 0.00 61.98 61.89 3bjs s VAL 386 Cb 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3bjs s VAL 386 CO 0.01 -0.10 -0.24 -1.61 0.00 0.00 0.00 175.10 173.16 3bjs s GLU 387 N -0.47 1.79 0.30 2.72 2.02 -1.26 -1.68 118.70 122.12 3bjs s GLU 387 Ca -0.06 -0.93 -0.29 0.00 0.02 0.00 0.00 54.97 53.71 3bjs s GLU 387 Cb -0.04 -1.82 -0.10 0.00 0.10 0.00 0.00 34.13 32.28 3bjs s GLU 387 CO 0.03 0.49 1.13 -1.25 0.02 0.00 0.00 175.26 175.67 3bjs s PRO 388 N -0.85 4.53 0.39 0.39 0.04 -1.26 -4.87 135.00 133.36 3bjs s PRO 388 Ca 0.10 1.84 -0.28 0.00 0.04 0.00 0.00 61.00 62.70 3bjs s PRO 388 Cb -0.09 -3.09 -0.11 0.00 0.04 0.00 0.00 34.50 31.25 3bjs s PRO 388 CO 0.00 0.10 1.49 -2.14 0.04 0.00 0.00 177.00 176.49 3bjs s PRO 389 N -1.62 4.04 -0.99 0.56 0.02 -1.26 -4.95 135.00 130.80 3bjs s PRO 389 Ca 0.47 2.58 -0.02 0.00 0.02 0.00 0.00 61.00 64.05 3bjs s PRO 389 Cb -0.32 -2.93 0.30 0.00 0.02 0.00 0.00 34.50 31.58 3bjs s PRO 389 CO 0.42 -0.59 1.95 -3.47 -0.33 0.00 0.00 177.00 174.98 3bjs n ASP 390 N 0.36 7.44 -4.08 2.53 -0.08 -1.26 -4.80 116.55 116.65 3bjs n ASP 390 Ca 0.01 -3.67 -0.14 0.00 -1.51 0.00 0.00 54.79 49.49 3bjs n ASP 390 Cb 0.39 -1.16 -0.11 0.00 2.34 0.00 0.00 41.12 42.58 3bjs n ASP 390 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3bjs s ALA 391 N -3.95 0.67 0.27 -1.67 0.00 -1.26 -4.98 121.76 110.83 3bjs s ALA 391 Ca 0.44 -0.82 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 3bjs s ALA 391 Cb 0.26 0.03 -0.14 0.00 0.00 0.00 0.00 23.12 23.27 3bjs s ALA 391 CO -0.20 -0.00 1.00 -2.30 0.00 0.00 0.00 175.76 174.25 3bjs n PRO 392 N 1.38 1.25 0.00 0.00 -0.02 -1.26 -3.59 135.00 132.75 3bjs n PRO 392 Ca -0.22 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3bjs n PRO 392 Cb 0.55 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 3bjs n PRO 392 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bjs n GLY 393 N 1.36 1.58 0.05 -1.23 0.00 -0.38 -2.98 105.19 103.59 3bjs n GLY 393 Ca 0.11 -0.48 0.13 0.00 0.00 0.00 0.00 46.02 45.78 3bjs n GLY 393 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bjs n LEU 394 N 0.00 0.46 -0.14 0.99 4.77 -1.26 -0.91 117.00 120.91 3bjs n LEU 394 Ca 0.00 0.50 -0.02 0.00 -0.03 0.00 0.00 56.01 56.46 3bjs n LEU 394 Cb 0.00 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.70 3bjs n LEU 394 CO 0.00 -0.09 -0.02 0.61 -1.33 0.00 0.00 177.39 176.57 3bjs n GLY 395 N 1.40 0.54 3.33 -0.72 0.00 -1.16 -4.77 105.19 103.81 3bjs n GLY 395 Ca 0.06 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 3bjs n GLY 395 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bjs s ILE 396 N -2.02 2.59 -0.20 -0.61 1.09 -1.26 -4.81 121.20 115.97 3bjs s ILE 396 Ca 0.00 -0.85 -0.14 0.00 -1.10 0.00 0.00 60.65 58.55 3bjs s ILE 396 Cb 0.00 -2.02 -0.04 0.00 -1.06 0.00 0.00 42.46 39.34 3bjs s ILE 396 CO 0.00 0.56 0.33 -0.70 -0.10 0.00 0.00 174.94 175.02 3bjs s GLU 397 N 0.01 4.17 -0.35 2.79 2.56 -1.26 -5.07 118.70 121.55 3bjs s GLU 397 Ca -0.06 0.08 -0.08 0.00 0.00 0.00 0.00 54.97 54.91 3bjs s GLU 397 Cb -0.15 -3.51 0.03 0.00 2.00 0.00 0.00 34.13 32.50 3bjs s GLU 397 CO 0.05 0.04 0.14 0.08 -0.56 0.00 0.00 175.26 175.01 3bjs s VAL 398 N 1.09 4.10 -0.25 3.70 1.01 -1.26 -4.88 120.40 123.90 3bjs s VAL 398 Ca 0.16 -1.00 -0.20 0.00 0.00 0.00 0.00 61.98 60.95 3bjs s VAL 398 Cb -0.14 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3bjs s VAL 398 CO 0.06 -0.18 0.60 -0.62 0.00 0.00 0.00 175.10 174.96 3bjs s ASP 399 N 1.47 6.55 0.00 3.32 3.68 -1.26 -4.96 116.67 125.47 3bjs s ASP 399 Ca -0.00 0.67 0.27 0.00 2.13 0.00 0.00 52.55 55.62 3bjs s ASP 399 Cb -0.19 -2.32 1.17 0.00 -1.45 0.00 0.00 42.92 40.13 3bjs s ASP 399 CO 0.04 -0.34 1.87 -0.62 0.13 0.00 0.00 175.17 176.26 3bjs n GLU 400 N 5.58 0.03 0.13 4.34 1.02 -1.26 -3.05 120.64 127.43 3bjs n GLU 400 Ca -0.02 0.03 0.13 0.00 -0.02 0.00 0.00 57.16 57.28 3bjs n GLU 400 Cb 0.49 -1.50 0.47 0.00 -0.02 0.00 0.00 31.44 30.88 3bjs n GLU 400 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3bjs h SER 401 N 0.00 0.00 1.66 1.62 4.64 -2.04 -2.86 113.55 116.57 3bjs h SER 401 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3bjs h SER 401 Cb 0.45 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3bjs h SER 401 CO 0.00 0.00 -0.05 0.40 -0.87 0.00 0.00 176.83 176.31 3bjs h ILE 402 N 0.00 0.09 0.00 0.95 2.04 -1.95 -3.26 117.51 115.37 3bjs h ILE 402 Ca 0.00 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.85 3bjs h ILE 402 Cb 0.50 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 3bjs h ILE 402 CO 0.00 0.04 -0.23 -0.26 0.00 0.00 0.00 178.15 177.70 3bjs h PHE 403 N 0.00 0.00 -0.01 1.37 0.04 -1.73 -2.56 116.94 114.05 3bjs h PHE 403 Ca -0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 3bjs h PHE 403 Cb 0.89 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 3bjs h PHE 403 CO 0.00 0.23 -0.48 0.93 -0.60 0.00 0.00 178.31 178.39 3bjs h GLU 404 N 0.00 0.02 0.00 1.51 5.08 -1.75 -2.95 114.58 116.49 3bjs h GLU 404 Ca -0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3bjs h GLU 404 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3bjs h GLU 404 CO 0.03 0.50 -0.23 -0.22 -1.00 0.00 0.00 179.01 178.09 3bjs h LYS 405 N 0.02 0.00 -3.10 2.33 3.64 -1.64 -3.35 116.57 114.47 3bjs h LYS 405 Ca -0.00 0.00 -0.62 0.00 -1.27 0.00 0.00 60.65 58.75 3bjs h LYS 405 Cb 0.86 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.27 3bjs h LYS 405 CO 0.06 0.23 -0.66 0.71 -2.27 0.00 0.00 179.45 177.52 3bjs s TYR 406 N -3.96 2.90 0.70 1.91 2.02 -1.11 -5.08 117.35 114.73 3bjs s TYR 406 Ca -0.02 -3.01 -0.11 0.00 -0.37 0.00 0.00 57.07 53.56 3bjs s TYR 406 Cb 0.12 -2.42 0.01 0.00 -0.40 0.00 0.00 41.96 39.27 3bjs s TYR 406 CO 0.64 -0.68 1.07 -1.25 -1.57 0.00 0.00 175.55 173.76 3bjs s PRO 407 N -0.57 2.94 0.08 -1.71 0.04 -1.26 -3.77 135.00 130.76 3bjs s PRO 407 Ca 0.21 0.65 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 3bjs s PRO 407 Cb -0.15 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 3bjs s PRO 407 CO -0.08 -1.02 1.07 0.00 0.04 0.00 0.00 177.00 177.01 3bjs s ALA 408 N -3.22 3.29 -0.07 8.56 0.00 -1.26 -3.27 121.76 125.79 3bjs s ALA 408 Ca 0.58 0.70 0.05 0.00 0.00 0.00 0.00 51.96 53.29 3bjs s ALA 408 Cb -0.12 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3bjs s ALA 408 CO 0.53 -0.24 -0.24 0.08 0.00 0.00 0.00 175.76 175.90 3bjs s VAL 409 N 0.51 1.97 -2.00 0.00 1.01 -1.26 -5.00 120.40 115.63 3bjs s VAL 409 Ca 0.52 -1.01 0.25 0.00 0.00 0.00 0.00 61.98 61.74 3bjs s VAL 409 Cb -0.26 -1.68 0.70 0.00 0.00 0.00 0.00 36.38 35.14 3bjs s VAL 409 CO 0.30 0.55 1.84 -0.90 0.00 0.00 0.00 175.10 176.89