#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mx3 s VAL 36 N 0.00 0.23 0.28 3.15 1.01 -1.26 -5.06 120.40 118.74 3mx3 s VAL 36 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.10 3mx3 s VAL 36 Cb 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 36.38 35.80 3mx3 s VAL 36 CO 0.00 0.11 -0.04 0.42 0.00 0.00 0.00 175.10 175.58 3mx3 s THR 37 N 2.02 1.53 0.17 3.92 -4.23 -1.26 -5.04 115.64 112.74 3mx3 s THR 37 Ca 0.04 -2.10 -0.15 0.00 -1.18 0.00 0.00 61.69 58.30 3mx3 s THR 37 Cb -0.13 -2.46 0.05 0.00 1.34 0.00 0.00 72.50 71.29 3mx3 s THR 37 CO -0.06 -0.28 1.82 0.28 -0.54 0.00 0.00 174.62 175.84 3mx3 h SER 38 N 2.29 0.49 -0.10 3.99 0.02 -1.90 -2.11 113.55 116.23 3mx3 h SER 38 Ca -0.40 -0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.59 3mx3 h SER 38 Cb 1.23 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.61 3mx3 h SER 38 CO 0.67 0.35 -0.23 -1.28 -1.14 0.00 0.00 176.83 175.20 3mx3 h SER 39 N 0.59 -0.70 -0.82 3.07 0.87 -1.96 -0.00 113.55 114.61 3mx3 h SER 39 Ca 0.18 0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 3mx3 h SER 39 Cb -0.02 0.31 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 3mx3 h SER 39 CO -0.07 -0.28 0.45 -0.07 -0.53 0.00 0.00 176.83 176.33 3mx3 h LEU 40 N -0.31 1.03 -0.89 2.23 3.38 -1.85 -1.92 115.31 116.97 3mx3 h LEU 40 Ca 0.09 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3mx3 h LEU 40 Cb 0.44 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3mx3 h LEU 40 CO -0.27 0.83 0.02 -0.07 0.09 0.00 0.00 178.44 179.03 3mx3 h LEU 41 N 1.14 0.80 -0.26 1.67 3.38 -1.05 -2.10 115.31 118.90 3mx3 h LEU 41 Ca 0.29 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.09 3mx3 h LEU 41 Cb 0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3mx3 h LEU 41 CO -0.05 0.86 0.08 0.00 0.09 0.00 0.00 178.44 179.43 3mx3 h ALA 42 N 1.23 0.29 -0.40 1.53 0.00 -0.57 -1.41 119.26 119.92 3mx3 h ALA 42 Ca 0.15 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3mx3 h ALA 42 Cb 0.45 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3mx3 h ALA 42 CO 0.02 -0.33 0.12 1.15 0.00 0.00 0.00 179.25 180.21 3mx3 h THR 43 N 0.20 0.84 -0.37 0.00 2.02 -0.98 -0.23 112.91 114.39 3mx3 h THR 43 Ca 0.11 -0.09 0.07 0.00 0.77 0.00 0.00 66.41 67.27 3mx3 h THR 43 Cb 0.08 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 3mx3 h THR 43 CO -0.12 0.05 -0.01 1.23 0.37 0.00 0.00 175.52 177.03 3mx3 h GLY 44 N 0.26 0.35 1.01 2.16 0.00 -0.91 -0.37 103.07 105.56 3mx3 h GLY 44 Ca 0.19 0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 3mx3 h GLY 44 CO -0.22 -0.10 0.04 1.41 0.00 0.00 0.00 176.54 177.67 3mx3 h LEU 45 N 0.08 0.86 -0.48 3.11 3.38 -0.88 -2.56 115.31 118.83 3mx3 h LEU 45 Ca 0.18 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 3mx3 h LEU 45 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3mx3 h LEU 45 CO -0.31 0.94 -0.27 -0.07 0.09 0.00 0.00 178.44 178.81 3mx3 h LEU 46 N 0.76 1.00 -1.27 1.67 3.38 -0.70 -2.48 115.31 117.67 3mx3 h LEU 46 Ca 0.15 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3mx3 h LEU 46 Cb 0.47 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3mx3 h LEU 46 CO 0.02 1.20 0.16 -0.07 0.09 0.00 0.00 178.44 179.84 3mx3 h LEU 47 N 0.81 0.60 -0.51 1.67 3.38 -0.96 -2.43 115.31 117.88 3mx3 h LEU 47 Ca 0.09 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3mx3 h LEU 47 Cb 0.85 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 3mx3 h LEU 47 CO 0.08 0.57 0.32 -0.78 0.09 0.00 0.00 178.44 178.71 3mx3 h ASP 48 N 0.66 0.52 1.15 -0.43 3.58 -1.03 0.86 116.42 121.72 3mx3 h ASP 48 Ca 0.16 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.54 3mx3 h ASP 48 Cb 0.17 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 3mx3 h ASP 48 CO -0.01 0.37 -0.31 0.40 -2.88 0.00 0.00 179.24 176.81 3mx3 h ILE 49 N 0.64 0.65 0.00 2.25 1.08 -1.13 -3.36 117.51 117.64 3mx3 h ILE 49 Ca 0.20 -1.48 0.00 0.00 -0.39 0.00 0.00 64.86 63.19 3mx3 h ILE 49 Cb -0.01 1.99 0.00 0.00 -3.07 0.00 0.00 36.82 35.73 3mx3 h ILE 49 CO -0.07 0.30 -0.62 0.35 -0.69 0.00 0.00 178.15 177.41 3mx3 n THR 50 N -3.34 0.00 -1.89 -0.27 -2.24 -0.95 -5.02 114.28 100.57 3mx3 n THR 50 Ca 0.01 -0.29 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 3mx3 n THR 50 Cb 0.53 0.80 0.03 0.00 -2.10 0.00 0.00 70.33 69.60 3mx3 n THR 50 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mx3 s SER 51 N -2.00 5.49 0.19 3.42 1.04 0.28 -5.02 113.70 117.08 3mx3 s SER 51 Ca 0.01 1.87 0.08 0.00 0.48 0.00 0.00 55.95 58.39 3mx3 s SER 51 Cb 0.05 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.59 3mx3 s SER 51 CO 0.29 -1.37 -0.16 -0.44 0.98 0.00 0.00 173.24 172.54 3mx3 s SER 52 N -2.80 2.64 0.16 7.02 0.01 -1.26 -5.02 113.70 114.45 3mx3 s SER 52 Ca 0.64 -0.94 -0.28 0.00 1.31 0.00 0.00 55.95 56.69 3mx3 s SER 52 Cb -0.17 -0.15 -0.08 0.00 0.21 0.00 0.00 66.02 65.83 3mx3 s SER 52 CO 0.40 -0.10 0.87 -0.55 0.41 0.00 0.00 173.24 174.27 3mx3 s SER 53 N -2.98 7.48 -0.18 2.44 0.15 -1.26 -4.94 113.70 114.40 3mx3 s SER 53 Ca 0.19 1.75 -0.05 0.00 0.70 0.00 0.00 55.95 58.54 3mx3 s SER 53 Cb -0.03 -2.55 -0.14 0.00 -1.71 0.00 0.00 66.02 61.59 3mx3 s SER 53 CO 0.07 0.11 3.28 0.00 1.20 0.00 0.00 173.24 177.90 3mx3 n ALA 54 N 1.97 6.40 -3.15 5.45 0.00 -1.26 -4.30 120.51 125.63 3mx3 n ALA 54 Ca -0.02 -2.31 -0.12 0.00 0.00 0.00 0.00 53.44 50.99 3mx3 n ALA 54 Cb 0.48 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 3mx3 n ALA 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3mx3 s SER 55 N 1.34 0.37 0.62 0.00 1.04 -1.26 -4.56 113.70 111.25 3mx3 s SER 55 Ca 0.64 -1.21 0.41 0.00 0.48 0.00 0.00 55.95 56.26 3mx3 s SER 55 Cb 0.34 0.66 2.05 0.00 0.10 0.00 0.00 66.02 69.17 3mx3 s SER 55 CO -0.09 -1.30 2.23 0.07 0.98 0.00 0.00 173.24 175.13 3mx3 h LYS 56 N 2.15 0.00 -0.37 4.02 2.10 -1.97 -1.21 116.57 121.29 3mx3 h LYS 56 Ca -0.28 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.48 3mx3 h LYS 56 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 3mx3 h LYS 56 CO 0.38 0.00 0.34 0.66 -2.00 0.00 0.00 179.45 178.83 3mx3 h SER 57 N 0.00 0.00 -1.03 7.07 4.64 -1.96 -1.11 113.55 121.15 3mx3 h SER 57 Ca 0.00 0.00 0.27 0.00 -0.47 0.00 0.00 61.79 61.59 3mx3 h SER 57 Cb 0.18 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.19 3mx3 h SER 57 CO 0.00 0.00 0.69 0.15 -0.87 0.00 0.00 176.83 176.80 3mx3 h PHE 58 N 0.00 0.49 -0.24 4.77 3.57 -1.40 -2.41 116.94 121.71 3mx3 h PHE 58 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3mx3 h PHE 58 Cb 0.85 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.45 3mx3 h PHE 58 CO 0.00 0.06 0.00 0.44 -2.23 0.00 0.00 178.31 176.58 3mx3 n ILE 59 N -4.51 0.44 -0.29 1.41 -6.64 -0.42 -4.47 119.36 104.87 3mx3 n ILE 59 Ca 0.24 -0.72 0.05 0.00 -1.77 0.00 0.00 62.75 60.55 3mx3 n ILE 59 Cb 0.92 0.97 0.19 0.00 -1.44 0.00 0.00 39.64 40.29 3mx3 n ILE 59 CO 0.00 0.00 0.00 1.88 -1.77 0.00 0.00 176.55 176.66 3mx3 h TYR 60 N 3.17 0.82 -0.05 4.28 0.05 -1.45 0.12 116.97 123.90 3mx3 h TYR 60 Ca 0.00 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.68 3mx3 h TYR 60 Cb 0.76 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 3mx3 h TYR 60 CO 0.15 0.27 -0.58 0.38 -1.05 0.00 0.00 178.16 177.34 3mx3 h ASP 61 N 0.72 0.19 -0.64 3.88 2.03 -1.78 0.25 116.42 121.07 3mx3 h ASP 61 Ca 0.43 -0.10 -0.09 0.00 -0.73 0.00 0.00 57.03 56.53 3mx3 h ASP 61 Cb 0.50 -0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 38.92 3mx3 h ASP 61 CO -0.30 0.72 0.05 -0.33 -1.03 0.00 0.00 179.24 178.36 3mx3 h GLU 62 N 0.13 1.10 -0.43 4.15 3.07 -1.70 -1.16 114.58 119.74 3mx3 h GLU 62 Ca -0.00 -0.32 -0.05 0.00 -0.50 0.00 0.00 59.36 58.48 3mx3 h GLU 62 Cb 1.05 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 3mx3 h GLU 62 CO 0.09 1.03 0.06 -0.07 -1.40 0.00 0.00 179.01 178.72 3mx3 h LEU 63 N 1.01 0.69 -0.34 1.33 3.38 -0.39 -0.89 115.31 120.11 3mx3 h LEU 63 Ca 0.19 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3mx3 h LEU 63 Cb 0.50 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3mx3 h LEU 63 CO 0.02 0.78 0.21 0.25 0.09 0.00 0.00 178.44 179.80 3mx3 h LEU 64 N 0.57 0.40 0.00 1.67 5.85 -0.83 -2.35 115.31 120.62 3mx3 h LEU 64 Ca 0.13 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3mx3 h LEU 64 Cb 0.39 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3mx3 h LEU 64 CO 0.01 0.31 0.00 0.00 -0.34 0.00 0.00 178.44 178.42 3mx3 n ALA 65 N -2.20 2.29 -2.80 1.25 0.00 -0.45 -4.89 120.51 113.71 3mx3 n ALA 65 Ca -0.01 -0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.13 3mx3 n ALA 65 Cb 0.04 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.15 3mx3 n ALA 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3mx3 n LYS 66 N -1.07 -3.58 -0.25 0.00 4.76 -0.81 -5.01 118.16 112.20 3mx3 n LYS 66 Ca 0.15 0.70 0.07 0.00 -2.87 0.00 0.00 58.31 56.37 3mx3 n LYS 66 Cb 0.10 -5.11 0.21 0.00 -1.84 0.00 0.00 35.03 28.39 3mx3 n LYS 66 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3mx3 n GLN 67 N -3.20 2.14 -4.41 1.97 6.02 -0.40 -4.74 117.38 114.75 3mx3 n GLN 67 Ca -0.09 -1.67 -0.28 0.00 -0.01 0.00 0.00 57.00 54.95 3mx3 n GLN 67 Cb 0.60 -1.39 -0.08 0.00 1.02 0.00 0.00 30.24 30.39 3mx3 n GLN 67 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3mx3 s ALA 69 N -1.42 3.68 -0.09 -1.58 0.00 -1.26 -1.58 121.76 119.51 3mx3 s ALA 69 Ca 0.31 -1.65 -0.01 0.00 0.00 0.00 0.00 51.96 50.61 3mx3 s ALA 69 Cb 0.17 -0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.17 3mx3 s ALA 69 CO 0.20 -0.15 -0.04 -0.46 0.00 0.00 0.00 175.76 175.32 3mx3 s TRP 70 N -2.72 1.04 -0.98 0.00 -0.11 -1.26 -4.52 118.94 110.38 3mx3 s TRP 70 Ca 0.30 -0.43 0.25 0.00 1.22 0.00 0.00 56.10 57.44 3mx3 s TRP 70 Cb 0.05 -1.00 0.55 0.00 -1.50 0.00 0.00 33.47 31.57 3mx3 s TRP 70 CO 0.16 -0.41 1.45 0.41 -4.62 0.00 0.00 176.95 173.94 3mx3 n GLY 71 N 5.03 -1.28 0.22 5.86 0.00 -0.46 -4.10 105.19 110.46 3mx3 n GLY 71 Ca -0.10 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 3mx3 n GLY 71 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3mx3 h GLU 72 N 0.00 0.73 0.00 1.61 4.81 -1.97 -3.45 114.58 116.31 3mx3 h GLU 72 Ca 0.00 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3mx3 h GLU 72 Cb 0.51 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3mx3 h GLU 72 CO 0.00 1.15 0.00 -1.13 -0.73 0.00 0.00 179.01 178.30 3mx3 n SER 73 N -3.95 0.00 -3.64 1.04 3.41 -1.26 -5.16 113.62 104.06 3mx3 n SER 73 Ca -0.05 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.50 3mx3 n SER 73 Cb 0.68 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.56 3mx3 n SER 73 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3mx3 s GLU 75 N 1.43 0.35 0.23 4.33 0.41 -1.26 -4.85 118.70 119.35 3mx3 s GLU 75 Ca 0.00 0.48 -0.06 0.00 -0.41 0.00 0.00 54.97 54.97 3mx3 s GLU 75 Cb 0.00 0.14 0.41 0.00 -1.78 0.00 0.00 34.13 32.90 3mx3 s GLU 75 CO 0.00 -0.05 1.71 -0.44 -0.49 0.00 0.00 175.26 175.99 3mx3 h ASP 76 N 4.55 0.11 1.45 -0.19 3.32 -1.96 -2.00 116.42 121.70 3mx3 h ASP 76 Ca -0.28 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3mx3 h ASP 76 Cb 1.18 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 3mx3 h ASP 76 CO 0.15 0.03 -0.04 1.88 -1.72 0.00 0.00 179.24 179.54 3mx3 h TYR 77 N 0.33 0.00 -0.10 4.55 0.05 -1.90 0.25 116.97 120.15 3mx3 h TYR 77 Ca 0.39 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.08 3mx3 h TYR 77 Cb 0.61 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.35 3mx3 h TYR 77 CO -0.22 0.04 -0.26 0.37 -1.05 0.00 0.00 178.16 177.04 3mx3 h GLN 78 N 0.00 0.35 -0.64 4.88 4.15 -1.58 -3.09 115.11 119.19 3mx3 h GLN 78 Ca -0.00 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.18 3mx3 h GLN 78 Cb 0.78 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.50 3mx3 h GLN 78 CO 0.01 0.86 0.00 0.66 -1.93 0.00 0.00 178.83 178.42 3mx3 n TYR 79 N -4.47 1.69 -2.77 3.99 4.02 -0.84 -4.89 117.16 113.89 3mx3 n TYR 79 Ca -0.08 -0.63 -0.07 0.00 -0.01 0.00 0.00 57.90 57.12 3mx3 n TYR 79 Cb 0.45 -0.35 0.02 0.00 -0.02 0.00 0.00 39.34 39.45 3mx3 n TYR 79 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3mx3 n ASN 80 N 0.92 -3.13 -4.46 7.72 3.02 0.71 -0.45 115.26 119.58 3mx3 n ASN 80 Ca 0.26 -0.16 -0.37 0.00 -0.03 0.00 0.00 54.58 54.28 3mx3 n ASN 80 Cb 0.99 -1.83 -0.12 0.00 -0.61 0.00 0.00 39.78 38.21 3mx3 n ASN 80 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3mx3 s VAL 81 N -3.09 4.51 0.12 2.41 1.01 -0.18 -3.35 120.40 121.83 3mx3 s VAL 81 Ca 0.15 -0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.03 3mx3 s VAL 81 Cb -0.07 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3mx3 s VAL 81 CO 0.21 0.27 -0.08 -0.36 0.00 0.00 0.00 175.10 175.14 3mx3 s PHE 82 N 1.63 2.76 0.00 5.22 0.40 -1.26 -4.47 117.98 122.26 3mx3 s PHE 82 Ca 0.06 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 3mx3 s PHE 82 Cb -0.16 -1.42 0.00 0.00 0.51 0.00 0.00 43.02 41.96 3mx3 s PHE 82 CO 0.05 0.45 0.00 0.41 0.70 0.00 0.00 175.22 176.84 3mx3 n GLY 83 N 0.50 4.61 3.88 4.36 0.00 -1.26 -5.02 105.19 112.25 3mx3 n GLY 83 Ca -0.12 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 3mx3 n GLY 83 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mx3 s ARG 84 N 4.61 3.72 0.00 1.61 0.52 -1.26 -4.65 118.95 123.51 3mx3 s ARG 84 Ca 0.00 0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 3mx3 s ARG 84 Cb 0.00 -2.91 0.00 0.00 0.52 0.00 0.00 34.95 32.56 3mx3 s ARG 84 CO 0.00 0.50 0.00 0.45 0.02 0.00 0.00 175.30 176.27 3mx3 n SER 85 N 0.52 0.00 -4.30 0.23 2.88 -1.26 -4.97 113.62 106.73 3mx3 n SER 85 Ca -0.05 -0.53 -0.16 0.00 -1.33 0.00 0.00 58.87 56.79 3mx3 n SER 85 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 3mx3 n SER 85 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3mx3 s GLY 86 N -1.58 1.25 -0.22 0.46 0.00 -1.26 -3.18 107.32 102.79 3mx3 s GLY 86 Ca 0.00 -1.58 0.15 0.00 0.00 0.00 0.00 44.72 43.28 3mx3 s GLY 86 CO 0.00 -1.67 1.55 0.69 0.00 0.00 0.00 173.10 173.67 3mx3 n PHE 87 N -0.29 1.41 -0.15 1.90 3.01 -1.26 -4.70 117.46 117.38 3mx3 n PHE 87 Ca -0.09 -0.95 0.15 0.00 1.01 0.00 0.00 57.45 57.57 3mx3 n PHE 87 Cb 0.61 -0.42 0.51 0.00 -0.01 0.00 0.00 39.48 40.16 3mx3 n PHE 87 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3mx3 h GLY 88 N 2.31 0.67 0.14 1.37 0.00 -2.02 -2.26 103.07 103.28 3mx3 h GLY 88 Ca 0.06 -0.17 0.24 0.00 0.00 0.00 0.00 47.33 47.46 3mx3 h GLY 88 CO 0.37 0.06 0.64 -1.33 0.00 0.00 0.00 176.54 176.28 3mx3 h GLY 89 N 0.40 0.64 2.00 4.60 0.00 -1.93 -2.23 103.07 106.54 3mx3 h GLY 89 Ca 0.36 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 47.53 3mx3 h GLY 89 CO -0.11 -0.03 -0.17 -0.97 0.00 0.00 0.00 176.54 175.26 3mx3 h TYR 90 N 0.26 0.00 0.00 5.60 0.05 -1.79 -2.77 116.97 118.32 3mx3 h TYR 90 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.27 3mx3 h TYR 90 Cb 1.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.20 3mx3 h TYR 90 CO -0.00 0.17 0.00 1.79 -1.05 0.00 0.00 178.16 179.07 3mx3 h THR 91 N 0.00 0.00 0.00 -2.88 1.35 -1.60 -2.04 112.91 107.74 3mx3 h THR 91 Ca -0.00 -0.04 -0.02 0.00 -0.55 0.00 0.00 66.41 65.80 3mx3 h THR 91 Cb 0.53 0.87 -0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3mx3 h THR 91 CO 0.02 0.00 -0.08 0.71 -0.25 0.00 0.00 175.52 175.92 3mx3 h THR 92 N 0.00 0.17 -0.58 6.82 1.35 -1.69 -3.29 112.91 115.69 3mx3 h THR 92 Ca 0.00 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 3mx3 h THR 92 Cb 0.05 1.81 -0.03 0.00 -1.73 0.00 0.00 68.15 68.24 3mx3 h THR 92 CO 0.00 0.08 0.37 -0.07 -0.25 0.00 0.00 175.52 175.65 3mx3 h LEU 93 N 0.00 0.67 -0.54 3.87 3.38 -1.58 0.24 115.31 121.35 3mx3 h LEU 93 Ca -0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3mx3 h LEU 93 Cb 0.80 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3mx3 h LEU 93 CO 0.01 0.50 0.04 0.40 0.09 0.00 0.00 178.44 179.48 3mx3 h ILE 94 N 0.78 1.26 -0.79 1.22 2.04 -1.76 -1.88 117.51 118.38 3mx3 h ILE 94 Ca 0.21 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 3mx3 h ILE 94 Cb -0.07 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3mx3 h ILE 94 CO -0.04 0.37 0.34 0.78 0.00 0.00 0.00 178.15 179.60 3mx3 h ASN 95 N 0.81 1.05 -0.45 1.72 2.35 -1.61 -1.78 115.58 117.67 3mx3 h ASN 95 Ca 0.16 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.65 3mx3 h ASN 95 Cb 0.48 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3mx3 h ASN 95 CO 0.02 0.91 -0.16 0.00 -1.65 0.00 0.00 177.43 176.56 3mx3 h ALA 96 N 1.24 0.63 -0.55 -0.83 0.00 -0.78 -2.91 119.26 116.06 3mx3 h ALA 96 Ca 0.27 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3mx3 h ALA 96 Cb 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3mx3 h ALA 96 CO -0.03 0.57 0.26 0.37 0.00 0.00 0.00 179.25 180.42 3mx3 h GLN 97 N 0.74 0.79 -1.76 0.00 4.15 -1.24 -2.26 115.11 115.54 3mx3 h GLN 97 Ca 0.11 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3mx3 h GLN 97 Cb 0.72 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.27 3mx3 h GLN 97 CO 0.05 0.66 0.00 1.63 -1.93 0.00 0.00 178.83 179.24 3mx3 n LYS 98 N -4.56 0.00 0.00 1.69 5.02 -0.68 -1.32 118.16 118.31 3mx3 n LYS 98 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 3mx3 n LYS 98 Cb 0.13 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3mx3 n LYS 98 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3mx3 n VAL 100 N 0.94 0.00 0.09 -0.18 0.31 -0.85 -1.18 118.33 117.45 3mx3 n VAL 100 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3mx3 n VAL 100 Cb 0.00 0.00 0.62 0.00 -0.91 0.00 0.00 33.84 33.55 3mx3 n VAL 100 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3mx3 h GLU 101 N 0.00 0.10 -0.01 5.55 5.08 -1.49 -2.94 114.58 120.88 3mx3 h GLU 101 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3mx3 h GLU 101 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3mx3 h GLU 101 CO 0.00 0.07 -0.04 0.43 -1.00 0.00 0.00 179.01 178.47 3mx3 n SER 102 N -4.46 0.67 -4.68 1.42 7.64 -0.32 -4.92 113.62 108.97 3mx3 n SER 102 Ca 0.04 -1.05 -0.42 0.00 1.01 0.00 0.00 58.87 58.45 3mx3 n SER 102 Cb 0.33 -0.02 -0.03 0.00 -1.01 0.00 0.00 64.21 63.48 3mx3 n SER 102 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3mx3 s VAL 103 N -2.14 3.07 -0.39 0.44 1.01 -1.12 -4.51 120.40 116.76 3mx3 s VAL 103 Ca 0.39 0.36 0.21 0.00 0.00 0.00 0.00 61.98 62.94 3mx3 s VAL 103 Cb 0.21 -3.23 -0.29 0.00 0.00 0.00 0.00 36.38 33.07 3mx3 s VAL 103 CO 0.39 -0.01 0.62 -1.54 0.00 0.00 0.00 175.10 174.55 3mx3 n SER 104 N 6.36 0.49 -0.58 3.32 3.41 -1.26 -4.96 113.62 120.40 3mx3 n SER 104 Ca 0.17 -0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 3mx3 n SER 104 Cb 0.41 1.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.94 3mx3 n SER 104 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3mx3 n ASP 105 N -1.94 0.00 -0.81 4.04 5.68 -1.26 -5.02 116.55 117.24 3mx3 n ASP 105 Ca -0.01 -0.17 0.08 0.00 -0.50 0.00 0.00 54.79 54.19 3mx3 n ASP 105 Cb 0.46 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.65 3mx3 n ASP 105 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3mx3 n ASP 106 N -0.51 2.36 -2.09 -1.12 5.75 -1.26 -4.57 116.55 115.12 3mx3 n ASP 106 Ca 0.00 -1.97 -0.24 0.00 -0.01 0.00 0.00 54.79 52.56 3mx3 n ASP 106 Cb 0.00 -0.28 0.10 0.00 -1.03 0.00 0.00 41.12 39.91 3mx3 n ASP 106 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3mx3 n ASN 107 N 0.79 5.77 -0.19 -1.12 5.15 -1.26 -4.65 115.26 119.75 3mx3 n ASN 107 Ca 0.15 -3.42 0.11 0.00 -0.60 0.00 0.00 54.58 50.82 3mx3 n ASN 107 Cb 0.38 -0.91 0.41 0.00 -0.53 0.00 0.00 39.78 39.13 3mx3 n ASN 107 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3mx3 h VAL 108 N 0.92 0.90 -0.42 3.44 3.04 -1.94 -2.42 116.25 119.77 3mx3 h VAL 108 Ca 0.50 -0.21 0.03 0.00 -1.01 0.00 0.00 66.70 66.00 3mx3 h VAL 108 Cb 1.52 0.24 -0.02 0.00 -2.01 0.00 0.00 31.29 31.01 3mx3 h VAL 108 CO 1.12 0.11 0.28 0.78 -1.01 0.00 0.00 177.57 178.85 3mx3 h ASN 109 N 0.61 0.41 0.40 3.17 2.35 -1.89 0.78 115.58 121.41 3mx3 h ASN 109 Ca 0.36 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 3mx3 h ASN 109 Cb 0.55 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3mx3 h ASN 109 CO -0.13 0.29 -0.19 0.00 -1.65 0.00 0.00 177.43 175.75 3mx3 h ALA 110 N 1.75 -0.54 -0.01 -0.83 0.00 -1.67 0.17 119.26 118.13 3mx3 h ALA 110 Ca 0.17 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3mx3 h ALA 110 Cb 0.08 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3mx3 h ALA 110 CO -0.04 -0.80 -0.65 1.88 0.00 0.00 0.00 179.25 179.64 3mx3 h TYR 111 N -0.54 0.07 -0.22 0.00 0.05 -1.57 -0.99 116.97 113.77 3mx3 h TYR 111 Ca -0.05 -0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.55 3mx3 h TYR 111 Cb 0.42 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 3mx3 h TYR 111 CO -0.05 0.69 -0.46 0.22 -1.05 0.00 0.00 178.16 177.51 3mx3 h ASP 112 N 0.04 0.61 -0.15 3.88 3.58 -0.76 -0.27 116.42 123.35 3mx3 h ASP 112 Ca -0.01 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.15 3mx3 h ASP 112 Cb 1.16 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.03 3mx3 h ASP 112 CO 0.09 0.98 0.10 1.23 -2.88 0.00 0.00 179.24 178.76 3mx3 h GLY 113 N 1.06 0.21 0.70 -0.78 0.00 -0.20 -1.38 103.07 102.68 3mx3 h GLY 113 Ca 0.03 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.32 3mx3 h GLY 113 CO 0.09 0.07 0.19 -2.00 0.00 0.00 0.00 176.54 174.89 3mx3 h LEU 114 N 0.20 0.25 -0.49 3.11 5.85 -0.88 -1.30 115.31 122.04 3mx3 h LEU 114 Ca 0.06 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.91 3mx3 h LEU 114 Cb -0.02 -0.00 -0.09 0.00 0.37 0.00 0.00 40.66 40.92 3mx3 h LEU 114 CO -0.02 0.18 -0.10 0.00 -0.34 0.00 0.00 178.44 178.16 3mx3 h ALA 115 N 1.26 0.35 -0.36 1.25 0.00 -0.69 -0.42 119.26 120.65 3mx3 h ALA 115 Ca 0.20 0.18 -0.11 0.00 0.00 0.00 0.00 54.91 55.17 3mx3 h ALA 115 Cb 0.14 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3mx3 h ALA 115 CO -0.17 -0.43 -0.24 0.45 0.00 0.00 0.00 179.25 178.86 3mx3 h HIS 116 N 0.02 0.82 -0.42 0.00 3.86 -1.03 -1.61 115.15 116.78 3mx3 h HIS 116 Ca 0.24 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3mx3 h HIS 116 Cb 0.36 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 3mx3 h HIS 116 CO -0.40 0.89 0.16 0.35 0.86 0.00 0.00 177.93 179.80 3mx3 h PHE 117 N 0.63 0.66 -0.28 2.45 3.04 -0.49 -2.52 116.94 120.42 3mx3 h PHE 117 Ca 0.09 -0.05 -0.15 0.00 3.98 0.00 0.00 57.97 61.84 3mx3 h PHE 117 Cb 0.74 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 39.05 3mx3 h PHE 117 CO 0.04 0.58 -0.39 0.82 -2.02 0.00 0.00 178.31 177.33 3mx3 h ILE 118 N 0.54 1.30 0.32 1.41 1.08 -0.97 -1.07 117.51 120.12 3mx3 h ILE 118 Ca 0.14 -1.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.03 3mx3 h ILE 118 Cb 0.21 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.56 3mx3 h ILE 118 CO -0.01 0.51 -0.35 0.50 -0.69 0.00 0.00 178.15 178.11 3mx3 h LYS 119 N 0.52 -0.68 -0.75 2.37 3.64 -1.31 0.70 116.57 121.06 3mx3 h LYS 119 Ca 0.03 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.56 3mx3 h LYS 119 Cb 0.98 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 32.88 3mx3 h LYS 119 CO 0.09 -0.45 0.38 0.00 -2.27 0.00 0.00 179.45 177.20 3mx3 h ALA 120 N -0.21 1.06 0.08 5.00 0.00 -1.34 -0.31 119.26 123.53 3mx3 h ALA 120 Ca -0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mx3 h ALA 120 Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3mx3 h ALA 120 CO -0.08 -0.04 -0.04 -0.92 0.00 0.00 0.00 179.25 178.17 3mx3 h TYR 121 N 0.62 -0.10 -0.38 0.00 5.03 -0.87 0.95 116.97 122.23 3mx3 h TYR 121 Ca 0.38 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.66 3mx3 h TYR 121 Cb 0.43 0.03 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 3mx3 h TYR 121 CO -0.10 0.26 0.14 0.87 -1.32 0.00 0.00 178.16 178.01 3mx3 h LYS 122 N -0.46 0.57 -0.12 1.82 1.57 -0.67 -2.23 116.57 117.05 3mx3 h LYS 122 Ca -0.01 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 58.49 3mx3 h LYS 122 Cb 0.39 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 3mx3 h LYS 122 CO 0.02 0.55 -0.65 0.82 -0.57 0.00 0.00 179.45 179.62 3mx3 h ILE 123 N 0.46 1.36 -0.25 1.86 2.04 -1.05 -2.92 117.51 119.01 3mx3 h ILE 123 Ca 0.12 -1.99 0.06 0.00 1.00 0.00 0.00 64.86 64.06 3mx3 h ILE 123 Cb 0.20 1.97 -0.07 0.00 -0.74 0.00 0.00 36.82 38.18 3mx3 h ILE 123 CO -0.01 0.60 -0.24 0.15 0.00 0.00 0.00 178.15 178.65 3mx3 h PHE 124 N 0.32 -0.64 0.00 1.37 3.57 -0.76 -0.11 116.94 120.69 3mx3 h PHE 124 Ca -0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3mx3 h PHE 124 Cb 1.20 0.32 0.00 0.00 2.79 0.00 0.00 35.95 40.26 3mx3 h PHE 124 CO 0.04 -0.32 0.00 0.66 -2.23 0.00 0.00 178.31 176.46 3mx3 n TYR 125 N -5.38 0.00 -1.07 0.41 4.01 -0.84 -4.65 117.16 109.64 3mx3 n TYR 125 Ca -0.01 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 3mx3 n TYR 125 Cb 0.29 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 3mx3 n TYR 125 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3mx3 n SER 127 N 1.07 0.00 0.00 7.72 2.88 -0.06 -5.05 113.62 120.19 3mx3 n SER 127 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3mx3 n SER 127 Cb 0.19 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 3mx3 n SER 127 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3mx3 n GLU 129 N -0.30 0.00 0.00 -1.46 1.02 -1.26 -4.77 120.64 113.87 3mx3 n GLU 129 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3mx3 n GLU 129 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3mx3 n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mx3 n GLY 131 N 0.00 3.77 3.68 0.62 0.00 -1.26 -0.76 105.19 111.24 3mx3 n GLY 131 Ca 0.00 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3mx3 n GLY 131 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3mx3 n ASP 132 N 0.00 1.70 -3.69 1.61 9.92 -1.26 -4.74 116.55 120.08 3mx3 n ASP 132 Ca 0.00 0.88 -0.02 0.00 -0.53 0.00 0.00 54.79 55.12 3mx3 n ASP 132 Cb 0.00 -1.48 -0.01 0.00 -0.64 0.00 0.00 41.12 38.99 3mx3 n ASP 132 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 3mx3 s LEU 133 N -2.90 -0.13 0.43 0.64 0.05 -1.10 -4.96 118.68 110.70 3mx3 s LEU 133 Ca 0.75 -0.38 -0.25 0.00 0.05 0.00 0.00 54.13 54.30 3mx3 s LEU 133 Cb -0.42 1.99 -0.08 0.00 -2.05 0.00 0.00 46.19 45.63 3mx3 s LEU 133 CO 0.47 -0.79 1.33 -2.84 -0.55 0.00 0.00 176.35 173.97 3mx3 s PRO 134 N -3.01 3.82 0.06 1.48 0.02 -1.25 -1.19 135.00 134.92 3mx3 s PRO 134 Ca 0.14 2.21 0.00 0.00 0.02 0.00 0.00 61.00 63.37 3mx3 s PRO 134 Cb -0.00 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.85 3mx3 s PRO 134 CO 0.01 -0.64 0.00 0.98 -0.33 0.00 0.00 177.00 177.03 3mx3 n TYR 135 N -0.08 -0.48 -0.27 6.54 4.19 -1.26 -4.72 117.16 121.08 3mx3 n TYR 135 Ca 0.05 0.08 0.07 0.00 3.31 0.00 0.00 57.90 61.41 3mx3 n TYR 135 Cb 0.43 0.42 0.22 0.00 0.49 0.00 0.00 39.34 40.90 3mx3 n TYR 135 CO 0.00 0.00 0.00 0.93 0.91 0.00 0.00 176.86 178.70 3mx3 h GLU 136 N 0.00 0.39 -0.64 2.98 5.08 -1.91 -2.44 114.58 118.03 3mx3 h GLU 136 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3mx3 h GLU 136 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3mx3 h GLU 136 CO 0.00 0.26 0.00 0.39 -1.00 0.00 0.00 179.01 178.66 3mx3 n GLU 137 N -5.05 2.75 0.04 2.33 1.02 -1.26 -4.66 120.64 115.81 3mx3 n GLU 137 Ca 0.16 -2.52 -0.12 0.00 -0.02 0.00 0.00 57.16 54.66 3mx3 n GLU 137 Cb 0.48 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.33 3mx3 n GLU 137 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mx3 h ALA 138 N 3.81 0.01 -0.43 0.62 0.00 -1.72 -0.07 119.26 121.47 3mx3 h ALA 138 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3mx3 h ALA 138 Cb 0.93 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3mx3 h ALA 138 CO 0.00 -0.49 0.22 1.25 0.00 0.00 0.00 179.25 180.22 3mx3 h LEU 139 N 0.00 0.56 -0.74 0.00 5.85 -1.83 -0.51 115.31 118.64 3mx3 h LEU 139 Ca 0.00 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.69 3mx3 h LEU 139 Cb 0.00 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 3mx3 h LEU 139 CO -0.00 0.52 0.39 1.56 -0.34 0.00 0.00 178.44 180.57 3mx3 h GLN 140 N 0.56 0.66 -0.55 1.25 4.20 -1.82 -1.11 115.11 118.30 3mx3 h GLN 140 Ca 0.15 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 3mx3 h GLN 140 Cb 0.10 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 3mx3 h GLN 140 CO -0.02 0.43 0.31 0.78 -0.67 0.00 0.00 178.83 179.67 3mx3 h GLY 141 N 0.68 0.81 1.26 3.46 0.00 -0.50 -1.13 103.07 107.64 3mx3 h GLY 141 Ca 0.36 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3mx3 h GLY 141 CO -0.25 0.34 0.31 0.83 0.00 0.00 0.00 176.54 177.77 3mx3 h GLU 142 N 0.74 0.95 0.00 4.80 4.39 0.02 -1.66 114.58 123.82 3mx3 h GLU 142 Ca 0.19 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3mx3 h GLU 142 Cb 0.02 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.50 3mx3 h GLU 142 CO -0.03 0.74 0.00 1.28 -1.16 0.00 0.00 179.01 179.84 3mx3 n LEU 143 N -4.33 0.00 0.00 1.33 4.77 -0.53 -4.89 117.00 113.34 3mx3 n LEU 143 Ca 0.06 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3mx3 n LEU 143 Cb 0.14 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3mx3 n LEU 143 CO 0.39 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3mx3 n GLY 144 N 0.70 0.59 0.18 -0.72 0.00 -0.62 -4.94 105.19 100.38 3mx3 n GLY 144 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 3mx3 n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3mx3 h LEU 145 N 0.00 0.00 -7.91 0.99 3.38 -1.44 -3.46 115.31 106.87 3mx3 h LEU 145 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3mx3 h LEU 145 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 3mx3 h LEU 145 CO 0.00 0.34 -0.36 0.68 0.09 0.00 0.00 178.44 179.19 3mx3 s VAL 146 N -3.27 0.12 -0.37 1.22 -7.23 -1.23 -4.99 120.40 104.66 3mx3 s VAL 146 Ca 0.03 -1.26 -0.24 0.00 -1.81 0.00 0.00 61.98 58.70 3mx3 s VAL 146 Cb 0.08 -1.50 0.01 0.00 0.56 0.00 0.00 36.38 35.53 3mx3 s VAL 146 CO 0.70 -0.55 0.84 -0.13 -0.31 0.00 0.00 175.10 175.65 3mx3 s ARG 147 N -3.90 3.78 0.07 4.82 0.52 -1.26 -4.24 118.95 118.73 3mx3 s ARG 147 Ca 0.09 0.40 -0.29 0.00 -0.52 0.00 0.00 55.73 55.41 3mx3 s ARG 147 Cb 0.04 -3.81 -0.05 0.00 0.52 0.00 0.00 34.95 31.65 3mx3 s ARG 147 CO -0.08 -0.90 0.92 -1.25 0.02 0.00 0.00 175.30 174.02 3mx3 s PRO 148 N 3.25 4.62 0.57 3.54 0.04 -1.26 -5.01 135.00 140.74 3mx3 s PRO 148 Ca 0.34 1.34 -0.19 0.00 0.04 0.00 0.00 61.00 62.53 3mx3 s PRO 148 Cb -0.13 -3.40 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 3mx3 s PRO 148 CO 0.18 0.16 1.19 -1.59 0.04 0.00 0.00 177.00 176.98 3mx3 s LYS 149 N 0.25 3.14 -0.17 4.56 -2.85 -1.26 -4.85 119.74 118.56 3mx3 s LYS 149 Ca 0.46 1.78 -0.22 0.00 -1.00 0.00 0.00 55.97 56.99 3mx3 s LYS 149 Cb -0.22 -2.00 -0.02 0.00 -2.06 0.00 0.00 37.83 33.53 3mx3 s LYS 149 CO 0.28 -1.06 0.68 0.71 0.10 0.00 0.00 175.35 176.06 3mx3 s TYR 150 N -1.62 3.41 0.53 1.78 1.51 -1.26 -3.97 117.35 117.72 3mx3 s TYR 150 Ca 0.75 1.04 -0.19 0.00 -1.01 0.00 0.00 57.07 57.66 3mx3 s TYR 150 Cb -0.29 -2.85 -0.07 0.00 -0.11 0.00 0.00 41.96 38.65 3mx3 s TYR 150 CO 0.32 -0.15 1.06 -0.80 -1.11 0.00 0.00 175.55 174.86 3mx3 s ASN 151 N 1.13 6.08 0.71 2.29 -0.87 -0.34 -4.85 114.94 119.09 3mx3 s ASN 151 Ca 0.32 1.94 -0.15 0.00 -1.57 0.00 0.00 52.86 53.40 3mx3 s ASN 151 Cb -0.16 -2.56 0.03 0.00 -0.02 0.00 0.00 41.25 38.54 3mx3 s ASN 151 CO 0.12 -0.97 1.16 0.42 -2.57 0.00 0.00 177.10 175.26 3mx3 s THR 152 N -2.08 2.72 0.42 1.60 -4.23 -1.26 -2.73 115.64 110.08 3mx3 s THR 152 Ca 0.67 0.34 0.11 0.00 -1.18 0.00 0.00 61.69 61.63 3mx3 s THR 152 Cb -0.17 -2.86 0.19 0.00 1.34 0.00 0.00 72.50 71.00 3mx3 s THR 152 CO 0.26 -0.20 1.98 -0.61 -0.54 0.00 0.00 174.62 175.51 3mx3 h GLN 153 N -0.23 0.21 -0.10 3.99 4.15 -1.93 0.14 115.11 121.35 3mx3 h GLN 153 Ca -0.47 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 3mx3 h GLN 153 Cb 1.27 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.92 3mx3 h GLN 153 CO 0.51 0.29 0.04 -0.22 -1.93 0.00 0.00 178.83 177.52 3mx3 h LYS 154 N 0.21 0.15 -0.47 1.69 3.64 -1.97 -2.79 116.57 117.03 3mx3 h LYS 154 Ca 0.05 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 3mx3 h LYS 154 Cb 0.24 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 3mx3 h LYS 154 CO 0.01 0.26 0.17 0.93 -2.27 0.00 0.00 179.45 178.54 3mx3 h GLU 155 N 0.01 0.33 0.00 1.90 5.08 -1.72 -1.44 114.58 118.73 3mx3 h GLU 155 Ca 0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3mx3 h GLU 155 Cb 0.16 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3mx3 h GLU 155 CO -0.00 0.22 0.00 0.28 -1.00 0.00 0.00 179.01 178.50 3mx3 n VAL 156 N -5.01 0.00 0.00 3.13 0.31 -0.03 -0.98 118.33 115.75 3mx3 n VAL 156 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3mx3 n VAL 156 Cb 0.18 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 3mx3 n VAL 156 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3mx3 n ASN 158 N 0.31 0.00 -0.11 4.52 3.02 -0.54 -0.74 115.26 121.72 3mx3 n ASN 158 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 3mx3 n ASN 158 Cb 0.00 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.38 3mx3 n ASN 158 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3mx3 h PHE 159 N 0.00 0.80 -0.21 3.10 0.04 -1.32 -0.45 116.94 118.89 3mx3 h PHE 159 Ca 0.00 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 3mx3 h PHE 159 Cb 0.00 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 3mx3 h PHE 159 CO 0.00 0.68 0.08 0.82 -0.60 0.00 0.00 178.31 179.29 3mx3 h ILE 160 N 0.75 1.16 -0.73 -0.55 2.04 -1.19 0.04 117.51 119.04 3mx3 h ILE 160 Ca 0.17 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.48 3mx3 h ILE 160 Cb 0.28 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3mx3 h ILE 160 CO -0.00 0.16 0.22 -0.07 0.00 0.00 0.00 178.15 178.46 3mx3 h LEU 161 N 0.19 1.06 -0.95 1.44 3.38 -1.75 -0.01 115.31 118.68 3mx3 h LEU 161 Ca 0.07 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 3mx3 h LEU 161 Cb 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3mx3 h LEU 161 CO -0.01 0.99 -0.17 0.28 0.09 0.00 0.00 178.44 179.63 3mx3 h SER 162 N 1.09 0.57 0.28 -0.43 0.02 -0.94 -1.87 113.55 112.27 3mx3 h SER 162 Ca 0.23 -0.17 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 3mx3 h SER 162 Cb 0.31 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3mx3 h SER 162 CO -0.01 0.75 -0.52 0.44 -1.14 0.00 0.00 176.83 176.36 3mx3 h ASP 163 N 0.52 0.29 -0.00 3.07 3.32 -0.29 -2.00 116.42 121.33 3mx3 h ASP 163 Ca 0.09 -0.15 -0.17 0.00 0.02 0.00 0.00 57.03 56.82 3mx3 h ASP 163 Cb 0.59 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3mx3 h ASP 163 CO 0.04 0.76 -0.57 -0.07 -1.72 0.00 0.00 179.24 177.68 3mx3 h LEU 164 N 0.21 0.66 -0.69 1.55 3.38 -0.74 -0.19 115.31 119.50 3mx3 h LEU 164 Ca 0.01 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3mx3 h LEU 164 Cb 0.98 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3mx3 h LEU 164 CO 0.08 1.09 0.36 -0.33 0.09 0.00 0.00 178.44 179.73 3mx3 h GLU 165 N 0.45 0.97 -0.48 1.13 5.08 -1.21 0.53 114.58 121.05 3mx3 h GLU 165 Ca 0.01 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3mx3 h GLU 165 Cb 1.12 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 3mx3 h GLU 165 CO 0.11 0.74 0.25 1.15 -1.00 0.00 0.00 179.01 180.25 3mx3 h THR 166 N 0.95 1.18 -0.53 1.13 2.02 -1.24 -1.53 112.91 114.90 3mx3 h THR 166 Ca 0.24 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.95 3mx3 h THR 166 Cb 0.06 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 3mx3 h THR 166 CO -0.04 0.20 0.32 0.00 0.37 0.00 0.00 175.52 176.37 3mx3 h ALA 167 N 1.09 0.67 -0.74 6.16 0.00 -0.64 0.10 119.26 125.91 3mx3 h ALA 167 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3mx3 h ALA 167 Cb 0.09 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3mx3 h ALA 167 CO -0.02 0.03 0.33 -0.92 0.00 0.00 0.00 179.25 178.66 3mx3 h TYR 168 N 0.63 1.10 -0.37 0.00 3.20 -0.71 -1.14 116.97 119.69 3mx3 h TYR 168 Ca 0.21 -0.07 -0.14 0.00 3.14 0.00 0.00 58.73 61.87 3mx3 h TYR 168 Cb 0.01 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 37.94 3mx3 h TYR 168 CO -0.06 0.83 -0.32 1.49 -1.64 0.00 0.00 178.16 178.46 3mx3 h GLU 169 N 1.06 0.87 0.68 1.82 4.57 -0.86 -1.28 114.58 121.45 3mx3 h GLU 169 Ca 0.25 -0.44 -0.03 0.00 -1.18 0.00 0.00 59.36 57.96 3mx3 h GLU 169 Cb 0.17 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 3mx3 h GLU 169 CO -0.03 1.09 -0.38 -0.07 -1.18 0.00 0.00 179.01 178.44 3mx3 h LEU 170 N 0.68 -0.94 -0.74 1.64 3.38 -0.63 -2.37 115.31 116.33 3mx3 h LEU 170 Ca 0.07 0.05 0.13 0.00 0.09 0.00 0.00 57.88 58.21 3mx3 h LEU 170 Cb 0.90 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 3mx3 h LEU 170 CO 0.08 -0.61 0.32 -0.26 0.09 0.00 0.00 178.44 178.06 3mx3 h PHE 171 N -0.99 0.55 -0.11 1.13 0.04 -1.23 -1.32 116.94 115.01 3mx3 h PHE 171 Ca -0.09 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.75 3mx3 h PHE 171 Cb 0.78 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.80 3mx3 h PHE 171 CO -0.07 0.11 0.13 0.77 -0.60 0.00 0.00 178.31 178.65 3mx3 h SER 172 N 0.49 0.00 -0.25 2.17 0.02 -1.06 0.29 113.55 115.22 3mx3 h SER 172 Ca 0.39 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.23 3mx3 h SER 172 Cb 0.55 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 3mx3 h SER 172 CO -0.36 0.00 -0.14 0.35 -1.14 0.00 0.00 176.83 175.53 3mx3 n THR 173 N -3.81 2.41 -4.69 -2.27 -2.24 -0.55 -5.02 114.28 98.11 3mx3 n THR 173 Ca -0.00 -2.71 -0.31 0.00 -2.27 0.00 0.00 64.05 58.76 3mx3 n THR 173 Cb 0.23 -0.29 -0.09 0.00 -2.10 0.00 0.00 70.33 68.08 3mx3 n THR 173 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mx3 s ALA 174 N -3.17 3.78 0.32 6.98 0.00 0.09 -4.89 121.76 124.87 3mx3 s ALA 174 Ca 0.42 -1.10 0.10 0.00 0.00 0.00 0.00 51.96 51.38 3mx3 s ALA 174 Cb 0.38 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.51 3mx3 s ALA 174 CO -0.00 -0.06 -0.09 0.15 0.00 0.00 0.00 175.76 175.76 3mx3 s LYS 175 N -3.82 1.88 0.54 0.00 -0.14 -1.26 -4.99 119.74 111.95 3mx3 s LYS 175 Ca 0.17 -1.82 -0.22 0.00 -1.36 0.00 0.00 55.97 52.74 3mx3 s LYS 175 Cb 0.05 -1.81 -0.06 0.00 -1.68 0.00 0.00 37.83 34.34 3mx3 s LYS 175 CO 0.09 0.20 1.29 -0.25 -0.76 0.00 0.00 175.35 175.91 3mx3 n ASP 176 N -0.80 2.37 -4.38 2.83 9.92 -1.26 -4.75 116.55 120.48 3mx3 n ASP 176 Ca -0.05 0.97 -0.19 0.00 -0.53 0.00 0.00 54.79 54.99 3mx3 n ASP 176 Cb 0.62 -1.54 -0.10 0.00 -0.64 0.00 0.00 41.12 39.46 3mx3 n ASP 176 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 3mx3 s PHE 177 N -1.31 1.75 0.16 1.24 -0.71 -0.42 -5.03 117.98 113.67 3mx3 s PHE 177 Ca 0.71 -0.94 0.00 0.00 -1.04 0.00 0.00 56.93 55.66 3mx3 s PHE 177 Cb -0.43 -1.07 -0.04 0.00 -1.21 0.00 0.00 43.02 40.27 3mx3 s PHE 177 CO 0.50 -0.02 0.33 -0.51 -1.34 0.00 0.00 175.22 174.17 3mx3 s ASP 178 N -3.39 6.37 0.00 1.98 1.01 -1.26 -4.07 116.67 117.31 3mx3 s ASP 178 Ca 0.33 0.31 0.00 0.00 0.71 0.00 0.00 52.55 53.90 3mx3 s ASP 178 Cb 0.07 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 42.03 3mx3 s ASP 178 CO 0.12 0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.14 3mx3 n GLY 179 N -0.43 0.88 3.14 0.21 0.00 -1.26 -4.50 105.19 103.23 3mx3 n GLY 179 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3mx3 n GLY 179 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mx3 s ASP 180 N -2.07 5.44 0.00 1.61 2.15 -1.26 -2.37 116.67 120.17 3mx3 s ASP 180 Ca 0.00 -2.37 0.28 0.00 0.43 0.00 0.00 52.55 50.89 3mx3 s ASP 180 Cb 0.00 -1.90 1.61 0.00 -0.30 0.00 0.00 42.92 42.33 3mx3 s ASP 180 CO 0.00 -0.51 2.00 -0.81 -0.17 0.00 0.00 175.17 175.68 3mx3 n PRO 181 N 4.19 0.78 -0.14 4.34 -0.04 -1.26 -1.29 135.00 141.58 3mx3 n PRO 181 Ca 0.02 0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 63.20 3mx3 n PRO 181 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3mx3 n PRO 181 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3mx3 n ILE 182 N -1.06 1.53 -0.52 0.52 2.08 -1.26 -4.62 119.36 116.03 3mx3 n ILE 182 Ca 0.19 -0.39 0.05 0.00 0.56 0.00 0.00 62.75 63.16 3mx3 n ILE 182 Cb 0.12 -1.83 0.09 0.00 -0.75 0.00 0.00 39.64 37.27 3mx3 n ILE 182 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 3mx3 n LEU 183 N -4.13 2.40 -0.53 1.39 4.77 -1.26 -4.75 117.00 114.89 3mx3 n LEU 183 Ca -0.52 -2.51 -0.07 0.00 -0.03 0.00 0.00 56.01 52.88 3mx3 n LEU 183 Cb 0.89 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 3mx3 n LEU 183 CO 0.07 0.62 -0.07 0.61 -1.33 0.00 0.00 177.39 177.29 3mx3 n GLY 184 N -0.76 0.75 2.24 -0.72 0.00 -0.41 -2.82 105.19 103.47 3mx3 n GLY 184 Ca 0.09 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3mx3 n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mx3 n GLY 185 N -0.24 0.70 3.65 -0.02 0.00 -1.23 -4.76 105.19 103.28 3mx3 n GLY 185 Ca -0.07 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 3mx3 n GLY 185 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mx3 s SER 186 N -2.79 6.73 0.20 1.61 0.15 -1.13 -1.31 113.70 117.17 3mx3 s SER 186 Ca 0.00 0.89 -0.10 0.00 0.70 0.00 0.00 55.95 57.45 3mx3 s SER 186 Cb 0.00 -2.38 0.13 0.00 -1.71 0.00 0.00 66.02 62.06 3mx3 s SER 186 CO 0.00 -0.38 1.78 0.40 1.20 0.00 0.00 173.24 176.24 3mx3 h ILE 187 N 5.32 1.24 -0.64 6.45 1.08 -1.92 -0.71 117.51 128.33 3mx3 h ILE 187 Ca -0.27 -0.69 0.04 0.00 -0.39 0.00 0.00 64.86 63.55 3mx3 h ILE 187 Cb 1.12 0.36 -0.05 0.00 -3.07 0.00 0.00 36.82 35.19 3mx3 h ILE 187 CO 0.81 0.29 0.38 0.77 -0.69 0.00 0.00 178.15 179.70 3mx3 h SER 188 N 1.01 0.59 -0.32 1.72 4.64 -1.94 0.11 113.55 119.37 3mx3 h SER 188 Ca 0.24 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.47 3mx3 h SER 188 Cb 0.14 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3mx3 h SER 188 CO -0.03 0.40 -0.20 0.11 -0.87 0.00 0.00 176.83 176.25 3mx3 h LYS 189 N 0.73 0.79 -0.05 4.77 1.79 -1.75 -2.41 116.57 120.43 3mx3 h LYS 189 Ca 0.27 -0.31 -0.14 0.00 -2.18 0.00 0.00 60.65 58.29 3mx3 h LYS 189 Cb 0.09 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 3mx3 h LYS 189 CO -0.14 0.93 -0.61 -1.49 -1.08 0.00 0.00 179.45 177.06 3mx3 h TRP 190 N 0.70 0.22 -0.73 -1.35 4.06 -0.58 -0.11 115.95 118.14 3mx3 h TRP 190 Ca 0.10 -0.08 -0.06 0.00 2.06 0.00 0.00 58.89 60.90 3mx3 h TRP 190 Cb 0.71 -0.04 -0.03 0.00 -1.00 0.00 0.00 29.16 28.80 3mx3 h TRP 190 CO 0.04 0.73 0.22 0.87 -3.56 0.00 0.00 178.44 176.74 3mx3 h LYS 191 N 0.12 1.15 -0.38 0.49 1.57 -0.67 -1.00 116.57 117.85 3mx3 h LYS 191 Ca -0.01 -0.25 -0.13 0.00 -1.87 0.00 0.00 60.65 58.39 3mx3 h LYS 191 Cb 1.11 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3mx3 h LYS 191 CO 0.09 0.99 -0.28 0.87 -0.57 0.00 0.00 179.45 180.55 3mx3 h LYS 192 N 1.09 0.85 -0.82 3.15 1.57 -1.11 -1.82 116.57 119.48 3mx3 h LYS 192 Ca 0.23 -0.41 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 3mx3 h LYS 192 Cb 0.33 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 3mx3 h LYS 192 CO -0.00 1.05 0.40 0.00 -0.57 0.00 0.00 179.45 180.33 3mx3 h ALA 193 N 0.78 1.06 -0.05 3.86 0.00 -0.87 0.12 119.26 124.16 3mx3 h ALA 193 Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3mx3 h ALA 193 Cb 0.85 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3mx3 h ALA 193 CO 0.07 0.61 0.00 1.15 0.00 0.00 0.00 179.25 181.09 3mx3 h THR 194 N 1.16 1.24 -0.45 0.00 2.02 -1.15 -0.73 112.91 115.00 3mx3 h THR 194 Ca 0.28 -0.73 0.08 0.00 0.77 0.00 0.00 66.41 66.81 3mx3 h THR 194 Cb 0.11 1.64 -0.07 0.00 -1.74 0.00 0.00 68.15 68.09 3mx3 h THR 194 CO -0.04 0.20 0.03 0.74 0.37 0.00 0.00 175.52 176.82 3mx3 h THR 195 N -0.20 0.68 -0.18 3.16 2.02 -1.22 0.16 112.91 117.33 3mx3 h THR 195 Ca 0.01 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.17 3mx3 h THR 195 Cb 0.32 0.52 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3mx3 h THR 195 CO 0.00 0.03 -0.01 0.00 0.37 0.00 0.00 175.52 175.91 3mx3 h ALA 196 N 1.39 0.14 -0.61 6.16 0.00 -0.82 -1.00 119.26 124.51 3mx3 h ALA 196 Ca 0.23 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3mx3 h ALA 196 Cb 0.32 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3mx3 h ALA 196 CO -0.35 -0.45 0.15 0.35 0.00 0.00 0.00 179.25 178.95 3mx3 h PHE 197 N 0.04 1.03 -0.47 0.00 3.57 -0.84 -1.26 116.94 119.01 3mx3 h PHE 197 Ca 0.08 -0.12 0.09 0.00 3.53 0.00 0.00 57.97 61.55 3mx3 h PHE 197 Cb 0.11 -0.29 -0.08 0.00 2.79 0.00 0.00 35.95 38.48 3mx3 h PHE 197 CO -0.18 0.87 0.00 1.96 -2.23 0.00 0.00 178.31 178.73 3mx3 h GLN 198 N 0.89 0.11 -0.18 1.11 4.20 -0.54 0.65 115.11 121.36 3mx3 h GLN 198 Ca 0.19 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.78 3mx3 h GLN 198 Cb 0.36 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3mx3 h GLN 198 CO 0.00 0.07 -0.37 -0.07 -0.67 0.00 0.00 178.83 177.80 3mx3 h LEU 199 N 0.12 0.40 -0.38 1.46 3.38 -0.89 -1.29 115.31 118.11 3mx3 h LEU 199 Ca 0.24 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3mx3 h LEU 199 Cb 0.35 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3mx3 h LEU 199 CO -0.39 0.74 0.07 0.50 0.09 0.00 0.00 178.44 179.45 3mx3 h LYS 200 N 0.33 0.62 -0.33 1.13 3.64 -0.44 -3.06 116.57 118.47 3mx3 h LYS 200 Ca 0.03 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3mx3 h LYS 200 Cb 0.81 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 3mx3 h LYS 200 CO 0.06 0.67 0.17 0.28 -2.27 0.00 0.00 179.45 178.37 3mx3 h VAL 201 N 0.47 1.15 0.00 2.00 2.07 -0.77 -1.54 116.25 119.63 3mx3 h VAL 201 Ca 0.12 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3mx3 h VAL 201 Cb 0.35 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3mx3 h VAL 201 CO 0.01 0.15 0.00 0.18 0.02 0.00 0.00 177.57 177.93 3mx3 n LEU 202 N -4.77 0.38 0.00 2.57 4.77 -0.50 -2.22 117.00 117.23 3mx3 n LEU 202 Ca -0.01 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3mx3 n LEU 202 Cb 0.09 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3mx3 n LEU 202 CO 0.35 0.06 0.00 1.41 -1.33 0.00 0.00 177.39 177.89 3mx3 n HIS 204 N 0.98 0.00 -0.13 -1.77 8.25 -0.58 -3.50 115.22 118.47 3mx3 n HIS 204 Ca 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.50 3mx3 n HIS 204 Cb 0.06 -0.05 0.24 0.00 1.12 0.00 0.00 29.99 31.37 3mx3 n HIS 204 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3mx3 n LEU 205 N 0.00 3.83 -0.16 2.41 4.77 -0.94 -4.62 117.00 122.30 3mx3 n LEU 205 Ca 0.00 -1.94 0.01 0.00 -0.03 0.00 0.00 56.01 54.04 3mx3 n LEU 205 Cb 0.00 -0.61 0.27 0.00 -2.33 0.00 0.00 43.42 40.75 3mx3 n LEU 205 CO 0.00 0.47 1.18 0.77 -1.33 0.00 0.00 177.39 178.48 3mx3 h SER 206 N 2.38 0.77 0.22 -1.43 4.64 -1.88 -0.82 113.55 117.43 3mx3 h SER 206 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3mx3 h SER 206 Cb 1.39 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3mx3 h SER 206 CO 0.30 0.59 0.00 0.29 -0.87 0.00 0.00 176.83 177.13 3mx3 n LYS 207 N -4.41 0.02 -0.51 4.77 5.02 -1.26 -2.51 118.16 119.29 3mx3 n LYS 207 Ca 0.06 0.35 0.04 0.00 -2.02 0.00 0.00 58.31 56.74 3mx3 n LYS 207 Cb 0.07 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 33.78 3mx3 n LYS 207 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3mx3 n LYS 208 N -1.46 1.92 -0.11 1.97 4.76 -0.31 -4.72 118.16 120.20 3mx3 n LYS 208 Ca 0.02 -2.98 0.17 0.00 -2.87 0.00 0.00 58.31 52.65 3mx3 n LYS 208 Cb 0.08 -1.71 0.56 0.00 -1.84 0.00 0.00 35.03 32.12 3mx3 n LYS 208 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 3mx3 h GLU 209 N 0.95 0.28 0.00 1.97 -0.00 -1.52 -2.33 114.58 113.94 3mx3 h GLU 209 Ca 0.07 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.36 59.36 3mx3 h GLU 209 Cb 1.33 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 30.00 3mx3 h GLU 209 CO 0.18 0.19 -0.28 0.77 -0.00 0.00 0.00 179.01 179.87 3mx3 h SER 210 N 0.29 0.00 -1.56 3.06 0.02 -1.89 -3.42 113.55 110.05 3mx3 h SER 210 Ca 0.33 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 60.58 3mx3 h SER 210 Cb 0.90 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.49 3mx3 h SER 210 CO -0.08 0.28 0.36 -0.67 -1.14 0.00 0.00 176.83 175.58 3mx3 n ASP 211 N -3.27 1.28 -0.17 3.07 -0.08 -0.88 -4.80 116.55 111.70 3mx3 n ASP 211 Ca 0.01 1.13 -0.09 0.00 -1.51 0.00 0.00 54.79 54.34 3mx3 n ASP 211 Cb 0.55 -1.14 0.05 0.00 2.34 0.00 0.00 41.12 42.92 3mx3 n ASP 211 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3mx3 h ALA 212 N 4.14 0.84 0.00 -1.67 0.00 -1.90 -3.31 119.26 117.37 3mx3 h ALA 212 Ca -0.48 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.01 3mx3 h ALA 212 Cb 1.36 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3mx3 h ALA 212 CO 0.75 0.66 -1.77 -0.25 0.00 0.00 0.00 179.25 178.63 3mx3 n ASP 213 N -4.15 0.30 0.06 0.00 8.00 -1.26 -4.29 116.55 115.20 3mx3 n ASP 213 Ca 0.02 0.12 -0.04 0.00 0.71 0.00 0.00 54.79 55.60 3mx3 n ASP 213 Cb 0.38 1.27 -0.08 0.00 -0.02 0.00 0.00 41.12 42.67 3mx3 n ASP 213 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3mx3 h LEU 214 N 0.00 0.00 -2.83 0.64 5.85 -1.93 -3.48 115.31 113.56 3mx3 h LEU 214 Ca -0.11 0.00 -0.49 0.00 0.84 0.00 0.00 57.88 58.13 3mx3 h LEU 214 Cb 1.28 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.32 3mx3 h LEU 214 CO 0.01 0.80 -0.93 0.29 -0.34 0.00 0.00 178.44 178.27 3mx3 n LYS 215 N -3.19 -1.80 0.25 1.25 5.02 -1.25 -4.86 118.16 113.58 3mx3 n LYS 215 Ca -0.04 0.37 -0.13 0.00 -2.02 0.00 0.00 58.31 56.49 3mx3 n LYS 215 Cb 0.89 -4.02 -0.07 0.00 -0.02 0.00 0.00 35.03 31.81 3mx3 n LYS 215 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3mx3 h VAL 216 N -1.98 0.31 -0.48 -0.18 2.07 -1.84 -0.69 116.25 113.45 3mx3 h VAL 216 Ca -0.66 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 66.45 3mx3 h VAL 216 Cb 1.37 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3mx3 h VAL 216 CO 0.54 0.05 0.21 0.11 0.02 0.00 0.00 177.57 178.50 3mx3 h LYS 217 N -1.03 0.39 -0.57 1.57 1.57 -1.91 0.06 116.57 116.66 3mx3 h LYS 217 Ca -0.07 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3mx3 h LYS 217 Cb 0.60 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 3mx3 h LYS 217 CO 0.11 0.26 0.19 0.93 -0.57 0.00 0.00 179.45 180.37 3mx3 h GLU 218 N 0.41 0.88 -0.08 3.15 3.07 -1.91 -1.18 114.58 118.91 3mx3 h GLU 218 Ca 0.22 -0.18 -0.15 0.00 -0.50 0.00 0.00 59.36 58.75 3mx3 h GLU 218 Cb 0.19 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 3mx3 h GLU 218 CO -0.19 0.79 -0.60 0.00 -1.40 0.00 0.00 179.01 177.60 3mx3 h ARG 219 N 0.79 0.29 -0.09 2.33 3.08 -0.73 -2.11 114.38 117.94 3mx3 h ARG 219 Ca 0.18 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3mx3 h ARG 219 Cb 0.27 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3mx3 h ARG 219 CO -0.01 0.81 0.01 0.35 -1.07 0.00 0.00 179.97 180.06 3mx3 h PHE 220 N 0.22 0.17 -0.99 3.04 3.04 -0.59 -1.78 116.94 120.04 3mx3 h PHE 220 Ca -0.01 -0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.94 3mx3 h PHE 220 Cb 1.12 -0.05 -0.05 0.00 2.56 0.00 0.00 35.95 39.53 3mx3 h PHE 220 CO 0.03 0.38 0.66 0.00 -2.02 0.00 0.00 178.31 177.35 3mx3 h ALA 221 N 0.77 1.27 -0.46 2.41 0.00 -1.25 -1.51 119.26 120.48 3mx3 h ALA 221 Ca 0.03 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3mx3 h ALA 221 Cb 0.30 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3mx3 h ALA 221 CO 0.00 0.62 -0.13 -0.09 0.00 0.00 0.00 179.25 179.66 3mx3 h ARG 222 N 1.33 0.90 -0.49 0.00 1.12 -1.17 -1.34 114.38 114.73 3mx3 h ARG 222 Ca 0.37 -0.36 -0.11 0.00 -1.11 0.00 0.00 59.98 58.77 3mx3 h ARG 222 Cb -0.12 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 29.78 3mx3 h ARG 222 CO -0.09 1.01 -0.14 0.97 -3.11 0.00 0.00 179.97 178.61 3mx3 h ILE 223 N 0.74 1.27 -0.84 1.20 2.10 -1.18 0.84 117.51 121.63 3mx3 h ILE 223 Ca 0.11 -1.28 0.01 0.00 1.08 0.00 0.00 64.86 64.78 3mx3 h ILE 223 Cb 0.69 1.04 -0.04 0.00 -1.09 0.00 0.00 36.82 37.41 3mx3 h ILE 223 CO 0.05 0.44 0.55 0.58 -1.08 0.00 0.00 178.15 178.69 3mx3 h VAL 224 N 0.83 1.22 0.04 2.19 2.07 -0.97 0.33 116.25 121.96 3mx3 h VAL 224 Ca 0.13 -0.42 -0.22 0.00 0.82 0.00 0.00 66.70 67.01 3mx3 h VAL 224 Cb 0.68 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3mx3 h VAL 224 CO 0.05 0.22 -1.01 0.00 0.02 0.00 0.00 177.57 176.84 3mx3 h ALA 225 N 1.46 0.35 0.00 1.67 0.00 -0.89 -3.40 119.26 118.46 3mx3 h ALA 225 Ca 0.31 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3mx3 h ALA 225 Cb -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3mx3 h ALA 225 CO -0.06 1.00 -1.02 -1.13 0.00 0.00 0.00 179.25 178.04 3mx3 n SER 226 N -3.56 2.63 -1.33 0.00 3.41 0.26 -5.04 113.62 109.99 3mx3 n SER 226 Ca -0.04 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3mx3 n SER 226 Cb 0.90 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 66.07 3mx3 n SER 226 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mx3 n GLY 227 N 1.86 0.76 3.04 5.00 0.00 0.11 -5.02 105.19 110.95 3mx3 n GLY 227 Ca -0.01 -1.85 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 3mx3 n GLY 227 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mx3 s SER 228 N -1.00 4.87 0.00 1.61 0.01 -1.26 -4.97 113.70 112.96 3mx3 s SER 228 Ca 0.00 -2.47 0.00 0.00 1.31 0.00 0.00 55.95 54.79 3mx3 s SER 228 Cb 0.00 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.50 3mx3 s SER 228 CO 0.00 -0.38 0.00 0.18 0.41 0.00 0.00 173.24 173.45 3mx3 n LEU 229 N 3.92 0.00 0.00 2.44 4.77 -1.26 -4.22 117.00 122.65 3mx3 n LEU 229 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3mx3 n LEU 229 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3mx3 n LEU 229 CO 0.30 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.74 3mx3 n GLU 231 N 0.00 1.37 -3.82 3.23 1.02 -1.26 -4.97 120.64 116.21 3mx3 n GLU 231 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 3mx3 n GLU 231 Cb 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 31.44 31.23 3mx3 n GLU 231 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3mx3 s SER 232 N -0.39 -0.10 0.61 1.62 1.04 -1.26 -5.01 113.70 110.21 3mx3 s SER 232 Ca 0.00 -0.73 0.29 0.00 0.48 0.00 0.00 55.95 55.99 3mx3 s SER 232 Cb 0.00 0.66 1.51 0.00 0.10 0.00 0.00 66.02 68.29 3mx3 s SER 232 CO 0.00 -1.26 1.90 0.78 0.98 0.00 0.00 173.24 175.64 3mx3 h ASN 233 N 2.00 0.00 0.15 7.02 2.35 -1.95 -0.80 115.58 124.34 3mx3 h ASN 233 Ca -0.26 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.49 3mx3 h ASN 233 Cb 1.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.61 3mx3 h ASN 233 CO 0.32 0.00 -0.00 -0.33 -1.65 0.00 0.00 177.43 175.76 3mx3 h GLU 234 N 0.00 0.00 -0.01 0.81 4.39 -2.02 -2.60 114.58 115.15 3mx3 h GLU 234 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 3mx3 h GLU 234 Cb 1.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 3mx3 h GLU 234 CO -0.00 0.00 -0.16 -0.25 -1.16 0.00 0.00 179.01 177.45 3mx3 n ASP 235 N -3.14 0.72 -4.73 1.42 8.00 -0.31 -4.95 116.55 113.57 3mx3 n ASP 235 Ca -0.02 -0.75 -0.42 0.00 0.71 0.00 0.00 54.79 54.30 3mx3 n ASP 235 Cb 0.11 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 3mx3 n ASP 235 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3mx3 n ASN 236 N -0.78 3.63 -4.51 -2.24 4.13 -0.98 -4.87 115.26 109.63 3mx3 n ASN 236 Ca 0.14 1.14 -0.43 0.00 1.68 0.00 0.00 54.58 57.12 3mx3 n ASN 236 Cb 0.30 -1.56 -0.04 0.00 -1.54 0.00 0.00 39.78 36.95 3mx3 n ASN 236 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3mx3 s LEU 237 N -0.31 4.03 0.00 3.41 0.20 -0.26 -4.95 118.68 120.80 3mx3 s LEU 237 Ca 0.65 -0.48 0.00 0.00 0.69 0.00 0.00 54.13 54.99 3mx3 s LEU 237 Cb -0.53 -2.73 0.00 0.00 -0.43 0.00 0.00 46.19 42.50 3mx3 s LEU 237 CO 0.48 -1.36 0.00 0.00 -0.29 0.00 0.00 176.35 175.19 3mx3 n GLN 238 N 7.78 0.00 -3.58 1.98 10.64 -1.26 -1.17 117.38 131.77 3mx3 n GLN 238 Ca 0.01 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.08 3mx3 n GLN 238 Cb 0.47 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.80 3mx3 n GLN 238 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3mx3 s LYS 240 N 4.13 0.58 0.28 2.61 -0.14 -1.26 -4.88 119.74 121.06 3mx3 s LYS 240 Ca 0.00 0.12 0.11 0.00 -1.36 0.00 0.00 55.97 54.83 3mx3 s LYS 240 Cb 0.00 0.27 -0.05 0.00 -1.68 0.00 0.00 37.83 36.38 3mx3 s LYS 240 CO 0.00 -0.19 -0.09 0.71 -0.76 0.00 0.00 175.35 175.02 3mx3 s TYR 241 N -1.22 2.49 -0.76 3.18 2.02 -1.26 -4.86 117.35 116.95 3mx3 s TYR 241 Ca -0.01 -0.30 -0.02 0.00 -0.37 0.00 0.00 57.07 56.38 3mx3 s TYR 241 Cb -0.00 -1.14 -0.02 0.00 -0.40 0.00 0.00 41.96 40.40 3mx3 s TYR 241 CO 0.01 0.65 0.69 0.00 -1.57 0.00 0.00 175.55 175.33 3mx3 n ALA 242 N -0.78 -2.36 -1.00 3.71 0.00 0.93 -4.59 120.51 116.42 3mx3 n ALA 242 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3mx3 n ALA 242 Cb 0.60 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.41 3mx3 n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mx3 n ALA 245 N -2.14 0.00 -3.12 0.00 0.00 -1.26 -4.92 120.51 109.07 3mx3 n ALA 245 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 3mx3 n ALA 245 Cb 0.54 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 3mx3 n ALA 245 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3mx3 n ASN 246 N 0.00 4.85 -3.73 0.00 2.04 -1.26 -5.03 115.26 112.14 3mx3 n ASN 246 Ca 0.00 -3.54 -0.12 0.00 -0.44 0.00 0.00 54.58 50.48 3mx3 n ASN 246 Cb 0.00 -0.80 -0.11 0.00 -2.53 0.00 0.00 39.78 36.34 3mx3 n ASN 246 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 3mx3 s THR 247 N -3.31 -0.01 0.27 5.53 -4.23 -1.26 -5.18 115.64 107.45 3mx3 s THR 247 Ca 0.41 0.04 0.09 0.00 -1.18 0.00 0.00 61.69 61.05 3mx3 s THR 247 Cb 0.17 -0.56 -0.04 0.00 1.34 0.00 0.00 72.50 73.41 3mx3 s THR 247 CO -0.04 0.01 0.01 0.68 -0.54 0.00 0.00 174.62 174.75 3mx3 s VAL 248 N 0.62 3.44 0.40 2.29 -7.23 -1.26 -0.05 120.40 118.61 3mx3 s VAL 248 Ca -0.03 -1.88 -0.26 0.00 -1.81 0.00 0.00 61.98 58.00 3mx3 s VAL 248 Cb -0.05 -2.88 -0.11 0.00 0.56 0.00 0.00 36.38 33.91 3mx3 s VAL 248 CO -0.04 -0.36 1.16 0.00 -0.31 0.00 0.00 175.10 175.55 3mx3 n TYR 249 N -0.93 1.74 -0.10 2.82 9.36 -0.23 -4.85 117.16 124.97 3mx3 n TYR 249 Ca -0.06 0.55 0.24 0.00 3.32 0.00 0.00 57.90 61.94 3mx3 n TYR 249 Cb 0.59 -2.32 0.69 0.00 -0.63 0.00 0.00 39.34 37.67 3mx3 n TYR 249 CO 0.00 0.00 0.00 -1.35 0.22 0.00 0.00 176.86 175.73 3mx3 h PRO 250 N 1.95 0.05 -0.52 2.98 0.11 -1.91 -1.15 132.00 133.50 3mx3 h PRO 250 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3mx3 h PRO 250 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3mx3 h PRO 250 CO 0.59 0.03 0.00 1.19 -0.21 0.00 0.00 178.00 179.60 3mx3 n PHE 251 N -4.34 1.44 -1.60 0.65 3.01 -1.26 -4.47 117.46 110.89 3mx3 n PHE 251 Ca 0.14 -0.69 -0.37 0.00 1.01 0.00 0.00 57.45 57.55 3mx3 n PHE 251 Cb 0.77 -0.31 0.07 0.00 -0.01 0.00 0.00 39.48 40.00 3mx3 n PHE 251 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3mx3 n HIS 252 N 0.59 1.34 0.30 1.38 -0.00 -0.44 -4.27 115.22 114.13 3mx3 n HIS 252 Ca 0.24 0.42 0.17 0.00 0.46 0.00 0.00 57.72 59.01 3mx3 n HIS 252 Cb 0.93 -2.19 0.93 0.00 -0.12 0.00 0.00 29.99 29.55 3mx3 n HIS 252 CO 0.00 0.00 0.00 -2.95 0.46 0.00 0.00 176.34 173.85 3mx3 h ASN 253 N 0.28 0.00 1.18 0.26 7.08 -1.27 -0.48 115.58 122.63 3mx3 h ASN 253 Ca -0.49 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.73 3mx3 h ASN 253 Cb 1.35 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.59 3mx3 h ASN 253 CO 0.51 0.03 0.00 0.71 -2.08 0.00 0.00 177.43 176.60 3mx3 h THR 254 N 0.00 0.00 0.00 6.14 1.35 -1.90 -3.33 112.91 115.17 3mx3 h THR 254 Ca -0.00 -0.51 -0.37 0.00 -0.55 0.00 0.00 66.41 64.98 3mx3 h THR 254 Cb 0.13 1.43 -0.07 0.00 -1.73 0.00 0.00 68.15 67.90 3mx3 h THR 254 CO 0.00 0.00 -2.39 0.59 -0.25 0.00 0.00 175.52 173.48 3mx3 n ASN 255 N -2.70 0.50 -3.84 5.36 3.02 -0.24 -5.01 115.26 112.35 3mx3 n ASN 255 Ca 0.02 -0.02 -0.12 0.00 -0.03 0.00 0.00 54.58 54.44 3mx3 n ASN 255 Cb 0.34 0.63 -0.09 0.00 -0.61 0.00 0.00 39.78 40.05 3mx3 n ASN 255 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3mx3 s THR 256 N -2.50 0.08 -2.59 3.41 -1.32 -0.90 -4.82 115.64 106.99 3mx3 s THR 256 Ca -0.16 -0.64 0.25 0.00 -1.21 0.00 0.00 61.69 59.93 3mx3 s THR 256 Cb 0.07 -0.51 0.29 0.00 -1.51 0.00 0.00 72.50 70.84 3mx3 s THR 256 CO 0.78 -0.35 1.43 2.29 -2.21 0.00 0.00 174.62 176.55 3mx3 n LYS 257 N 1.35 1.83 0.00 7.08 0.00 -1.26 -4.40 118.16 122.75 3mx3 n LYS 257 Ca -0.22 -1.36 0.09 0.00 -0.00 0.00 0.00 58.31 56.82 3mx3 n LYS 257 Cb 0.56 -1.47 0.01 0.00 -0.00 0.00 0.00 35.03 34.13 3mx3 n LYS 257 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3mx3 n HIS 258 N 0.60 0.00 0.27 5.58 8.25 -1.26 -4.41 115.22 124.25 3mx3 n HIS 258 Ca 0.15 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.72 3mx3 n HIS 258 Cb 0.48 0.00 0.77 0.00 1.12 0.00 0.00 29.99 32.36 3mx3 n HIS 258 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mx3 h ALA 259 N 3.18 1.66 -0.05 -1.41 0.00 -1.89 -2.53 119.26 118.22 3mx3 h ALA 259 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3mx3 h ALA 259 Cb 0.63 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3mx3 h ALA 259 CO 0.00 0.04 0.15 0.78 0.00 0.00 0.00 179.25 180.22 3mx3 h GLY 260 N 0.15 0.00 1.99 0.00 0.00 -1.95 -2.36 103.07 100.88 3mx3 h GLY 260 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mx3 h GLY 260 CO 0.00 0.00 -0.01 -1.72 0.00 0.00 0.00 176.54 174.82 3mx3 n TYR 261 N -3.28 0.24 -0.73 5.60 4.01 -0.95 -4.98 117.16 117.06 3mx3 n TYR 261 Ca -0.01 0.07 -0.31 0.00 -0.16 0.00 0.00 57.90 57.49 3mx3 n TYR 261 Cb 0.23 -0.61 0.27 0.00 -0.31 0.00 0.00 39.34 38.92 3mx3 n TYR 261 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mx3 s ALA 262 N -3.03 -0.06 -0.00 -0.72 0.00 -0.89 -1.36 121.76 115.70 3mx3 s ALA 262 Ca 0.13 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.09 3mx3 s ALA 262 Cb 0.17 -2.86 -0.00 0.00 0.00 0.00 0.00 23.12 20.43 3mx3 s ALA 262 CO 0.55 -4.21 -0.06 -0.51 0.00 0.00 0.00 175.76 171.53 3mx3 s LEU 264 N -7.47 2.01 0.60 0.00 1.02 -0.05 -4.24 118.68 110.56 3mx3 s LEU 264 Ca 0.71 -0.11 -0.12 0.00 0.02 0.00 0.00 54.13 54.62 3mx3 s LEU 264 Cb -0.09 -0.29 -0.05 0.00 0.02 0.00 0.00 46.19 45.78 3mx3 s LEU 264 CO 0.56 0.07 1.02 -0.55 0.02 0.00 0.00 176.35 177.47 3mx3 s SER 265 N -0.15 6.24 0.00 2.29 0.15 -0.61 -0.30 113.70 121.31 3mx3 s SER 265 Ca 0.02 1.49 0.00 0.00 0.70 0.00 0.00 55.95 58.16 3mx3 s SER 265 Cb -0.02 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.80 3mx3 s SER 265 CO -0.00 -0.86 0.18 0.35 1.20 0.00 0.00 173.24 174.11 3mx3 n THR 266 N -2.47 0.00 0.00 6.45 -2.24 -0.99 -1.32 114.28 113.70 3mx3 n THR 266 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3mx3 n THR 266 Cb 0.54 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 3mx3 n THR 266 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3mx3 n LEU 268 N 2.27 0.00 -0.13 3.22 4.77 -1.26 -0.94 117.00 124.92 3mx3 n LEU 268 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3mx3 n LEU 268 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3mx3 n LEU 268 CO 0.09 0.00 0.82 0.40 -1.33 0.00 0.00 177.39 177.38 3mx3 h ILE 269 N 0.00 1.24 -0.32 -0.08 1.08 -1.55 -1.39 117.51 116.50 3mx3 h ILE 269 Ca 0.00 -0.89 -0.14 0.00 -0.39 0.00 0.00 64.86 63.44 3mx3 h ILE 269 Cb 0.00 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 3mx3 h ILE 269 CO 0.00 0.30 -0.36 0.44 -0.69 0.00 0.00 178.15 177.84 3mx3 h ASP 270 N 0.49 0.77 -0.52 1.72 3.32 -1.27 -1.58 116.42 119.35 3mx3 h ASP 270 Ca 0.12 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 3mx3 h ASP 270 Cb 0.39 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3mx3 h ASP 270 CO 0.01 1.06 0.07 0.11 -1.72 0.00 0.00 179.24 178.77 3mx3 h LYS 271 N 0.61 0.92 0.12 3.56 1.57 -1.60 -1.83 116.57 119.92 3mx3 h LYS 271 Ca 0.06 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3mx3 h LYS 271 Cb 0.90 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3mx3 h LYS 271 CO 0.08 0.87 -0.06 0.74 -0.57 0.00 0.00 179.45 180.51 3mx3 h PHE 272 N 0.87 -0.15 -0.87 -1.35 0.04 -1.16 -2.87 116.94 111.45 3mx3 h PHE 272 Ca 0.18 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.00 3mx3 h PHE 272 Cb 0.41 0.05 -0.06 0.00 2.20 0.00 0.00 35.95 38.55 3mx3 h PHE 272 CO 0.03 0.14 0.57 0.87 -0.60 0.00 0.00 178.31 179.31 3mx3 h LYS 273 N -0.45 0.96 0.00 1.51 1.57 -1.24 -0.84 116.57 118.08 3mx3 h LYS 273 Ca -0.02 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3mx3 h LYS 273 Cb 0.36 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3mx3 h LYS 273 CO 0.03 0.63 -0.24 0.00 -0.57 0.00 0.00 179.45 179.31 3mx3 h ALA 274 N 1.52 1.21 -0.20 3.86 0.00 -1.27 -3.02 119.26 121.36 3mx3 h ALA 274 Ca 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3mx3 h ALA 274 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3mx3 h ALA 274 CO -0.13 0.30 0.00 0.25 0.00 0.00 0.00 179.25 179.66 3mx3 n THR 275 N -3.67 1.09 -3.89 0.00 -2.24 -0.93 -4.99 114.28 99.64 3mx3 n THR 275 Ca -0.01 -1.08 -0.29 0.00 -2.27 0.00 0.00 64.05 60.40 3mx3 n THR 275 Cb 0.36 0.44 0.03 0.00 -2.10 0.00 0.00 70.33 69.06 3mx3 n THR 275 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mx3 n GLY 276 N 0.01 -0.47 3.53 3.38 0.00 -0.52 -4.91 105.19 106.21 3mx3 n GLY 276 Ca 0.08 0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 3mx3 n GLY 276 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mx3 s ASP 277 N -3.46 6.38 0.00 1.61 -1.08 -0.44 -4.93 116.67 114.76 3mx3 s ASP 277 Ca 0.57 -0.24 0.23 0.00 -0.52 0.00 0.00 52.55 52.59 3mx3 s ASP 277 Cb -0.29 -2.40 1.25 0.00 -1.46 0.00 0.00 42.92 40.02 3mx3 s ASP 277 CO 0.83 -1.05 1.73 2.30 0.52 0.00 0.00 175.17 179.51 3mx3 n ILE 278 N 6.15 0.15 -0.01 4.11 -5.35 -1.26 -4.65 119.36 118.51 3mx3 n ILE 278 Ca 0.02 0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 3mx3 n ILE 278 Cb 0.48 -0.68 0.00 0.00 -1.74 0.00 0.00 39.64 37.70 3mx3 n ILE 278 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3mx3 n ARG 279 N -1.14 0.00 0.00 6.28 1.74 -1.26 -3.87 116.66 118.41 3mx3 n ARG 279 Ca 0.14 -0.23 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3mx3 n ARG 279 Cb 0.13 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.86 3mx3 n ARG 279 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3mx3 n PHE 281 N 3.89 0.00 0.00 -1.55 3.72 -1.26 -1.26 117.46 121.01 3mx3 n PHE 281 Ca 0.00 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.42 3mx3 n PHE 281 Cb 0.00 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 3mx3 n PHE 281 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3mx3 n TYR 282 N 0.00 0.54 0.09 1.38 4.02 -1.25 -4.36 117.16 117.57 3mx3 n TYR 282 Ca 0.00 0.17 -0.18 0.00 -0.01 0.00 0.00 57.90 57.88 3mx3 n TYR 282 Cb 0.00 -0.91 -0.14 0.00 -0.02 0.00 0.00 39.34 38.27 3mx3 n TYR 282 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 3mx3 h TYR 283 N 0.00 0.56 -1.95 -0.72 -1.99 -1.50 -3.42 116.97 107.95 3mx3 h TYR 283 Ca -0.18 -0.41 -0.58 0.00 2.00 0.00 0.00 58.73 59.55 3mx3 h TYR 283 Cb 1.51 -0.02 -0.11 0.00 2.00 0.00 0.00 36.73 40.11 3mx3 h TYR 283 CO 0.00 1.39 -0.62 0.00 -0.00 0.00 0.00 178.16 178.93 3mx3 s ALA 284 N -2.63 3.20 0.29 3.88 0.00 -1.26 -1.52 121.76 123.72 3mx3 s ALA 284 Ca -0.07 -1.93 0.11 0.00 0.00 0.00 0.00 51.96 50.07 3mx3 s ALA 284 Cb 0.06 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 3mx3 s ALA 284 CO 0.88 0.09 -0.17 -1.59 0.00 0.00 0.00 175.76 174.96 3mx3 s LYS 285 N -3.71 1.68 0.65 0.00 -2.85 -0.73 -3.92 119.74 110.85 3mx3 s LYS 285 Ca 0.35 -1.79 -0.17 0.00 -1.00 0.00 0.00 55.97 53.36 3mx3 s LYS 285 Cb -0.01 -1.70 -0.01 0.00 -2.06 0.00 0.00 37.83 34.06 3mx3 s LYS 285 CO 0.19 0.28 1.20 -2.14 0.10 0.00 0.00 175.35 174.98 3mx3 s PRO 286 N -3.54 2.67 0.13 1.78 0.02 -1.26 -4.01 135.00 130.78 3mx3 s PRO 286 Ca 0.30 1.75 -0.31 0.00 0.02 0.00 0.00 61.00 62.75 3mx3 s PRO 286 Cb -0.03 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.50 3mx3 s PRO 286 CO 0.15 -1.42 1.57 0.00 -0.33 0.00 0.00 177.00 176.96 3mx3 s ALA 287 N -1.82 3.72 0.38 -1.55 0.00 0.24 -4.69 121.76 118.05 3mx3 s ALA 287 Ca 0.75 1.28 0.10 0.00 0.00 0.00 0.00 51.96 54.09 3mx3 s ALA 287 Cb -0.29 -3.63 0.76 0.00 0.00 0.00 0.00 23.12 19.96 3mx3 s ALA 287 CO 0.38 -0.86 1.89 -0.22 0.00 0.00 0.00 175.76 176.95 3mx3 h LYS 288 N 7.27 0.18 -0.02 0.00 1.63 -1.71 -1.60 116.57 122.31 3mx3 h LYS 288 Ca -0.42 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.25 3mx3 h LYS 288 Cb 1.20 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.80 3mx3 h LYS 288 CO 0.91 0.38 -0.36 0.00 -3.45 0.00 0.00 179.45 176.94 3mx3 h ALA 289 N 1.63 1.37 -0.02 5.00 0.00 -1.71 -1.24 119.26 124.28 3mx3 h ALA 289 Ca 0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3mx3 h ALA 289 Cb 0.46 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3mx3 h ALA 289 CO 0.03 0.47 -0.04 0.87 0.00 0.00 0.00 179.25 180.58 3mx3 h LYS 290 N 0.04 0.07 -0.91 0.00 1.79 -1.59 -3.07 116.57 112.90 3mx3 h LYS 290 Ca 0.00 -0.04 0.18 0.00 -2.18 0.00 0.00 60.65 58.61 3mx3 h LYS 290 Cb 0.65 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.20 3mx3 h LYS 290 CO 0.05 0.58 0.48 -0.07 -1.08 0.00 0.00 179.45 179.41 3mx3 h LEU 291 N -0.44 0.57 -1.99 2.94 3.38 -1.17 -1.51 115.31 117.09 3mx3 h LEU 291 Ca 0.00 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3mx3 h LEU 291 Cb 0.57 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3mx3 h LEU 291 CO 0.01 0.19 -0.09 0.78 0.09 0.00 0.00 178.44 179.42 3mx3 h ASN 292 N 0.62 0.00 0.58 -0.43 2.35 -1.22 -0.95 115.58 116.54 3mx3 h ASN 292 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 3mx3 h ASN 292 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.20 3mx3 h ASN 292 CO -0.41 0.09 -0.08 -0.62 -1.65 0.00 0.00 177.43 174.76 3mx3 n GLU 293 N -3.51 0.39 -0.36 0.81 1.02 -0.61 -4.93 120.64 113.45 3mx3 n GLU 293 Ca -0.02 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 3mx3 n GLU 293 Cb 0.22 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 3mx3 n GLU 293 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3mx3 n GLY 294 N 1.35 0.81 3.72 0.62 0.00 -0.36 -5.06 105.19 106.27 3mx3 n GLY 294 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3mx3 n GLY 294 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mx3 s VAL 295 N -2.03 4.13 0.45 1.61 1.01 -0.93 -5.00 120.40 119.64 3mx3 s VAL 295 Ca 0.00 1.62 -0.05 0.00 0.00 0.00 0.00 61.98 63.55 3mx3 s VAL 295 Cb 0.00 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 3mx3 s VAL 295 CO 0.00 0.18 0.74 0.42 0.00 0.00 0.00 175.10 176.44 3mx3 s THR 296 N 0.63 4.94 0.41 3.92 -4.23 -1.26 -3.93 115.64 116.11 3mx3 s THR 296 Ca 0.54 0.12 0.14 0.00 -1.18 0.00 0.00 61.69 61.31 3mx3 s THR 296 Cb -0.28 -3.86 0.14 0.00 1.34 0.00 0.00 72.50 69.85 3mx3 s THR 296 CO 0.31 -0.78 1.91 0.00 -0.54 0.00 0.00 174.62 175.52 3mx3 h ALA 297 N 0.39 1.52 0.00 3.99 0.00 -1.95 -1.84 119.26 121.37 3mx3 h ALA 297 Ca -0.47 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3mx3 h ALA 297 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3mx3 h ALA 297 CO 0.62 0.34 0.00 -0.40 0.00 0.00 0.00 179.25 179.81 3mx3 n ASP 298 N -4.18 0.00 -4.80 0.00 5.75 -1.20 -4.84 116.55 107.28 3mx3 n ASP 298 Ca -0.02 0.14 -0.39 0.00 -0.01 0.00 0.00 54.79 54.51 3mx3 n ASP 298 Cb 0.33 -0.35 -0.06 0.00 -1.03 0.00 0.00 41.12 40.01 3mx3 n ASP 298 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 3mx3 s SER 299 N -2.69 7.05 0.47 -1.12 0.01 -0.69 -4.97 113.70 111.76 3mx3 s SER 299 Ca 0.17 1.25 0.14 0.00 1.31 0.00 0.00 55.95 58.81 3mx3 s SER 299 Cb 0.14 -2.37 1.10 0.00 0.21 0.00 0.00 66.02 65.10 3mx3 s SER 299 CO 0.33 0.23 2.07 -0.50 0.41 0.00 0.00 173.24 175.77 3mx3 h TRP 300 N 4.81 0.26 0.00 2.43 4.06 -1.88 -2.81 115.95 122.83 3mx3 h TRP 300 Ca -0.48 0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.47 3mx3 h TRP 300 Cb 1.21 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 3mx3 h TRP 300 CO 0.67 0.15 0.00 0.22 -3.56 0.00 0.00 178.44 175.92 3mx3 h ASP 301 N 0.27 0.00 0.73 -3.49 3.58 -1.93 -3.03 116.42 112.56 3mx3 h ASP 301 Ca 0.14 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.59 3mx3 h ASP 301 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 3mx3 h ASP 301 CO -0.03 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.33 3mx3 h ALA 302 N 2.20 1.00 -3.05 -0.78 0.00 -1.73 -3.44 119.26 113.46 3mx3 h ALA 302 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 3mx3 h ALA 302 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.17 3mx3 h ALA 302 CO 0.00 0.00 -0.51 0.71 0.00 0.00 0.00 179.25 179.45 3mx3 s TYR 303 N -3.58 3.43 -0.12 0.00 1.51 -1.15 -0.60 117.35 116.85 3mx3 s TYR 303 Ca 0.01 0.34 0.01 0.00 -1.01 0.00 0.00 57.07 56.42 3mx3 s TYR 303 Cb 0.09 -2.03 0.02 0.00 -0.11 0.00 0.00 41.96 39.93 3mx3 s TYR 303 CO 0.45 0.45 -0.12 0.42 -1.11 0.00 0.00 175.55 175.63 3mx3 s ILE 304 N -0.26 1.33 0.28 2.71 1.01 -1.26 -4.96 121.20 120.04 3mx3 s ILE 304 Ca 0.10 -0.51 -0.22 0.00 0.00 0.00 0.00 60.65 60.03 3mx3 s ILE 304 Cb -0.12 -1.26 -0.09 0.00 0.01 0.00 0.00 42.46 41.00 3mx3 s ILE 304 CO 0.01 0.41 0.82 -0.83 0.00 0.00 0.00 174.94 175.36 3mx3 s GLY 305 N 1.34 2.65 -0.22 6.18 0.00 -1.26 -2.53 107.32 113.47 3mx3 s GLY 305 Ca -0.00 0.31 -0.06 0.00 0.00 0.00 0.00 44.72 44.97 3mx3 s GLY 305 CO -0.06 0.68 0.03 -1.59 0.00 0.00 0.00 173.10 172.16 3mx3 s THR 306 N -1.64 4.09 -0.42 0.90 2.01 0.59 -4.55 115.64 116.62 3mx3 s THR 306 Ca 0.48 -0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 3mx3 s THR 306 Cb -0.16 -2.88 0.01 0.00 0.01 0.00 0.00 72.50 69.48 3mx3 s THR 306 CO 0.21 0.39 1.37 -0.62 -0.69 0.00 0.00 174.62 175.29 3mx3 s ASP 307 N 1.28 6.39 0.00 3.53 -1.08 -1.26 -2.35 116.67 123.17 3mx3 s ASP 307 Ca 0.04 0.80 0.24 0.00 -0.52 0.00 0.00 52.55 53.11 3mx3 s ASP 307 Cb -0.15 -2.54 1.24 0.00 -1.46 0.00 0.00 42.92 40.02 3mx3 s ASP 307 CO 0.02 -1.40 1.78 -0.81 0.52 0.00 0.00 175.17 175.28 3mx3 n PRO 308 N 8.02 0.44 0.00 4.34 -0.05 -1.26 -2.34 135.00 144.14 3mx3 n PRO 308 Ca 0.16 0.05 0.13 0.00 -0.05 0.00 0.00 63.50 63.79 3mx3 n PRO 308 Cb 0.48 -1.50 0.50 0.00 -0.05 0.00 0.00 33.50 32.93 3mx3 n PRO 308 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 3mx3 n SER 309 N -1.22 0.33 -4.76 3.54 3.41 -1.26 -4.87 113.62 108.79 3mx3 n SER 309 Ca 0.13 -0.12 -0.35 0.00 -0.26 0.00 0.00 58.87 58.27 3mx3 n SER 309 Cb 0.16 -0.11 0.03 0.00 -0.26 0.00 0.00 64.21 64.03 3mx3 n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mx3 s LEU 310 N -2.81 3.60 0.20 1.04 1.43 -0.99 -4.62 118.68 116.53 3mx3 s LEU 310 Ca 0.18 2.22 -0.32 0.00 -1.03 0.00 0.00 54.13 55.18 3mx3 s LEU 310 Cb 0.19 -4.58 -0.15 0.00 0.03 0.00 0.00 46.19 41.68 3mx3 s LEU 310 CO 0.56 -1.53 1.14 -2.65 0.23 0.00 0.00 176.35 174.11 3mx3 n PRO 311 N -1.79 1.27 -0.06 1.29 -0.02 -1.26 -4.80 135.00 129.63 3mx3 n PRO 311 Ca 0.12 0.45 0.15 0.00 -2.02 0.00 0.00 63.50 62.20 3mx3 n PRO 311 Cb 0.51 -1.93 0.57 0.00 -0.02 0.00 0.00 33.50 32.63 3mx3 n PRO 311 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3mx3 h PHE 312 N 3.11 0.29 -0.12 6.00 3.57 -1.94 -0.61 116.94 127.23 3mx3 h PHE 312 Ca -0.42 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.01 3mx3 h PHE 312 Cb 1.34 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 3mx3 h PHE 312 CO 0.53 0.13 -0.28 1.05 -2.23 0.00 0.00 178.31 177.50 3mx3 h GLU 313 N 0.27 0.23 -0.39 1.11 4.11 -1.99 0.13 114.58 118.05 3mx3 h GLU 313 Ca 0.28 -0.08 -0.14 0.00 0.07 0.00 0.00 59.36 59.48 3mx3 h GLU 313 Cb 0.72 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3mx3 h GLU 313 CO -0.06 0.50 -0.31 1.96 0.07 0.00 0.00 179.01 181.17 3mx3 h GLN 314 N 0.21 0.90 -0.54 1.06 4.20 -1.47 -1.70 115.11 117.76 3mx3 h GLN 314 Ca 0.03 -0.45 0.01 0.00 0.06 0.00 0.00 58.65 58.31 3mx3 h GLN 314 Cb 0.61 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 3mx3 h GLN 314 CO 0.04 1.10 0.35 0.82 -0.67 0.00 0.00 178.83 180.47 3mx3 h ILE 315 N 0.71 1.12 -0.69 2.54 1.08 -1.06 -0.58 117.51 120.63 3mx3 h ILE 315 Ca 0.07 -0.24 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3mx3 h ILE 315 Cb 0.89 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.95 3mx3 h ILE 315 CO 0.08 0.13 0.45 -0.08 -0.69 0.00 0.00 178.15 178.04 3mx3 h GLU 316 N 0.71 0.91 -0.35 2.37 4.22 -0.66 -0.71 114.58 121.06 3mx3 h GLU 316 Ca 0.20 -0.06 -0.10 0.00 0.08 0.00 0.00 59.36 59.49 3mx3 h GLU 316 Cb -0.06 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 3mx3 h GLU 316 CO -0.06 0.61 -0.19 -0.22 -2.18 0.00 0.00 179.01 176.97 3mx3 h LYS 317 N 0.93 0.66 -0.42 1.92 3.64 -0.91 -0.77 116.57 121.62 3mx3 h LYS 317 Ca 0.25 -0.24 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 3mx3 h LYS 317 Cb -0.10 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3mx3 h LYS 317 CO -0.05 0.81 -0.17 0.00 -2.27 0.00 0.00 179.45 177.78 3mx3 h ALA 318 N 1.20 0.92 -0.27 5.00 0.00 -0.84 -2.63 119.26 122.64 3mx3 h ALA 318 Ca 0.09 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3mx3 h ALA 318 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3mx3 h ALA 318 CO 0.05 0.62 -0.12 -0.92 0.00 0.00 0.00 179.25 178.88 3mx3 h TYR 319 N 0.70 0.64 -0.50 0.00 3.20 -0.75 -1.00 116.97 119.26 3mx3 h TYR 319 Ca 0.11 -0.16 -0.04 0.00 3.14 0.00 0.00 58.73 61.79 3mx3 h TYR 319 Cb 0.67 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3mx3 h TYR 319 CO 0.03 0.80 0.16 0.00 -1.64 0.00 0.00 178.16 177.52 3mx3 h ALA 320 N 0.75 1.35 -0.35 1.82 0.00 -1.11 -2.49 119.26 119.23 3mx3 h ALA 320 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3mx3 h ALA 320 Cb 0.63 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3mx3 h ALA 320 CO 0.04 0.47 0.00 0.25 0.00 0.00 0.00 179.25 180.01 3mx3 n THR 321 N -4.32 0.46 -2.76 0.00 -2.24 -1.00 -4.96 114.28 99.47 3mx3 n THR 321 Ca 0.04 -0.59 -0.21 0.00 -2.27 0.00 0.00 64.05 61.01 3mx3 n THR 321 Cb 0.18 0.58 0.01 0.00 -2.10 0.00 0.00 70.33 69.01 3mx3 n THR 321 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3mx3 n GLU 322 N 0.95 -3.35 -2.25 -0.78 1.02 -0.91 -4.58 120.64 110.74 3mx3 n GLU 322 Ca 0.18 0.90 -0.41 0.00 -0.02 0.00 0.00 57.16 57.81 3mx3 n GLU 322 Cb 0.46 -5.65 0.00 0.00 -0.02 0.00 0.00 31.44 26.23 3mx3 n GLU 322 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3mx3 n GLN 323 N -3.53 4.76 -3.49 3.49 6.02 -0.43 -2.32 117.38 121.89 3mx3 n GLN 323 Ca -0.16 -3.86 -0.13 0.00 -0.01 0.00 0.00 57.00 52.84 3mx3 n GLN 323 Cb 0.64 -2.60 -0.04 0.00 1.02 0.00 0.00 30.24 29.26 3mx3 n GLN 323 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 3mx3 s TYR 324 N -2.01 -0.51 -0.22 1.08 1.13 -1.26 -4.80 117.35 110.76 3mx3 s TYR 324 Ca 0.48 0.58 -0.07 0.00 -1.41 0.00 0.00 57.07 56.65 3mx3 s TYR 324 Cb 0.17 0.50 -0.03 0.00 -1.10 0.00 0.00 41.96 41.50 3mx3 s TYR 324 CO -0.09 -0.64 0.05 -1.12 -2.51 0.00 0.00 175.55 171.24 3mx3 s SER 325 N -2.00 5.14 0.41 -0.18 0.01 -1.05 -4.00 113.70 112.03 3mx3 s SER 325 Ca -0.02 -0.15 -0.00 0.00 1.31 0.00 0.00 55.95 57.09 3mx3 s SER 325 Cb -0.01 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.33 3mx3 s SER 325 CO -0.03 0.04 0.08 0.61 0.41 0.00 0.00 173.24 174.35 3mx3 n GLY 326 N 4.43 0.75 3.76 3.44 0.00 -1.26 -0.87 105.19 115.46 3mx3 n GLY 326 Ca -0.16 -1.96 -0.40 0.00 0.00 0.00 0.00 46.02 43.50 3mx3 n GLY 326 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mx3 n PHE 327 N -1.51 2.69 -1.13 1.61 3.72 -1.26 -1.77 117.46 119.82 3mx3 n PHE 327 Ca 0.01 0.44 -0.34 0.00 -0.05 0.00 0.00 57.45 57.51 3mx3 n PHE 327 Cb 0.05 -2.46 0.12 0.00 -0.94 0.00 0.00 39.48 36.25 3mx3 n PHE 327 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3mx3 n ASN 328 N -0.27 0.54 0.28 4.37 2.85 -0.58 -4.04 115.26 118.41 3mx3 n ASN 328 Ca 0.06 0.58 0.15 0.00 -0.11 0.00 0.00 54.58 55.26 3mx3 n ASN 328 Cb 0.42 -1.45 0.77 0.00 1.24 0.00 0.00 39.78 40.75 3mx3 n ASN 328 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3mx3 h ALA 329 N -0.82 1.12 0.00 5.20 0.00 -1.86 -2.83 119.26 120.06 3mx3 h ALA 329 Ca -0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3mx3 h ALA 329 Cb 1.31 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3mx3 h ALA 329 CO 0.45 0.10 -0.07 0.07 0.00 0.00 0.00 179.25 179.80 3mx3 h ARG 330 N 0.00 0.00 0.00 0.00 0.11 -1.89 0.15 114.38 112.75 3mx3 h ARG 330 Ca -0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.04 3mx3 h ARG 330 Cb 0.38 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 3mx3 h ARG 330 CO 0.01 0.07 -0.44 1.88 0.10 0.00 0.00 179.97 181.59 3mx3 h TYR 331 N 0.00 0.00 0.00 4.08 0.05 -1.80 -3.35 116.97 115.94 3mx3 h TYR 331 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3mx3 h TYR 331 Cb 0.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.91 3mx3 h TYR 331 CO 0.00 0.15 -0.83 0.25 -1.05 0.00 0.00 178.16 176.68 3mx3 n THR 332 N -3.01 0.00 0.20 -2.88 -2.24 -0.86 -3.68 114.28 101.81 3mx3 n THR 332 Ca 0.02 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.82 3mx3 n THR 332 Cb 0.60 -0.78 0.02 0.00 -2.10 0.00 0.00 70.33 68.08 3mx3 n THR 332 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3mx3 n ASP 333 N -1.81 1.45 -4.20 3.42 8.00 0.46 -0.99 116.55 122.88 3mx3 n ASP 333 Ca 0.00 -1.23 -0.35 0.00 0.71 0.00 0.00 54.79 53.92 3mx3 n ASP 333 Cb 0.41 -0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.37 3mx3 n ASP 333 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3mx3 s TYR 334 N -0.44 3.19 0.24 1.24 5.04 -1.16 -4.99 117.35 120.48 3mx3 s TYR 334 Ca 0.06 -1.69 -0.05 0.00 -2.44 0.00 0.00 57.07 52.96 3mx3 s TYR 334 Cb 0.04 -2.11 0.42 0.00 0.35 0.00 0.00 41.96 40.67 3mx3 s TYR 334 CO 0.06 -0.76 1.76 -1.35 -1.34 0.00 0.00 175.55 173.92 3mx3 h PRO 335 N 8.03 0.54 0.00 4.97 0.11 -1.92 0.13 132.00 143.86 3mx3 h PRO 335 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3mx3 h PRO 335 Cb 1.08 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3mx3 h PRO 335 CO 0.55 0.36 0.00 -1.13 -0.21 0.00 0.00 178.00 177.57 3mx3 n SER 336 N -4.91 0.26 0.00 -2.05 3.41 -1.26 -1.06 113.62 108.00 3mx3 n SER 336 Ca 0.14 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.28 3mx3 n SER 336 Cb 0.36 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 3mx3 n SER 336 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mx3 n GLY 337 N 0.83 2.85 3.03 5.00 0.00 0.45 -4.25 105.19 113.10 3mx3 n GLY 337 Ca 0.05 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 3mx3 n GLY 337 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mx3 s GLU 338 N 0.00 0.44 0.49 1.61 -1.05 -1.26 -4.82 118.70 114.10 3mx3 s GLU 338 Ca 0.00 -0.81 -0.22 0.00 -0.15 0.00 0.00 54.97 53.79 3mx3 s GLU 338 Cb 0.00 0.06 -0.09 0.00 -0.44 0.00 0.00 34.13 33.66 3mx3 s GLU 338 CO 0.00 -0.05 0.99 -2.30 0.95 0.00 0.00 175.26 174.85 3mx3 n PRO 339 N 1.15 1.21 -3.59 -4.83 -0.02 -1.26 -4.81 135.00 122.85 3mx3 n PRO 339 Ca -0.21 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.32 3mx3 n PRO 339 Cb 0.57 -2.09 -0.11 0.00 -0.02 0.00 0.00 33.50 31.84 3mx3 n PRO 339 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mx3 s VAL 340 N -1.37 4.95 -0.14 -1.45 1.01 -1.26 -5.00 120.40 117.13 3mx3 s VAL 340 Ca 0.67 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.25 3mx3 s VAL 340 Cb -0.50 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3mx3 s VAL 340 CO 0.54 0.02 0.13 -0.69 0.00 0.00 0.00 175.10 175.10 3mx3 s VAL 341 N 1.67 5.42 -0.25 2.92 1.01 -1.26 -4.40 120.40 125.51 3mx3 s VAL 341 Ca 0.05 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 3mx3 s VAL 341 Cb -0.17 -3.39 -0.13 0.00 0.00 0.00 0.00 36.38 32.69 3mx3 s VAL 341 CO 0.08 0.58 -0.27 0.54 0.00 0.00 0.00 175.10 176.03 3mx3 n ARG 342 N 2.34 0.57 -3.86 2.72 5.12 -0.31 -1.43 116.66 121.81 3mx3 n ARG 342 Ca -0.19 0.19 -0.24 0.00 -1.93 0.00 0.00 57.85 55.67 3mx3 n ARG 342 Cb 0.54 -1.45 -0.17 0.00 -1.16 0.00 0.00 32.46 30.22 3mx3 n ARG 342 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3mx3 s LEU 343 N -6.87 0.88 0.23 0.55 1.43 -0.97 -4.88 118.68 109.05 3mx3 s LEU 343 Ca -0.34 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 3mx3 s LEU 343 Cb 0.11 -0.60 -0.05 0.00 0.03 0.00 0.00 46.19 45.67 3mx3 s LEU 343 CO 0.51 -0.15 0.03 -0.83 0.23 0.00 0.00 176.35 176.14 3mx3 s GLY 344 N 1.79 1.58 0.02 -3.19 0.00 -1.26 -1.11 107.32 105.15 3mx3 s GLY 344 Ca 0.04 -1.78 -0.24 0.00 0.00 0.00 0.00 44.72 42.74 3mx3 s GLY 344 CO -0.06 -1.63 1.42 -1.82 0.00 0.00 0.00 173.10 171.02 3mx3 h TYR 345 N 2.47 0.09 -0.03 1.90 3.20 -1.90 -1.47 116.97 121.23 3mx3 h TYR 345 Ca -0.38 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.49 3mx3 h TYR 345 Cb 1.23 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 3mx3 h TYR 345 CO 0.53 0.40 -0.07 0.00 -1.64 0.00 0.00 178.16 177.38 3mx3 h ALA 346 N 0.68 -0.05 -0.38 1.82 0.00 -1.89 -2.24 119.26 117.20 3mx3 h ALA 346 Ca 0.01 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.01 3mx3 h ALA 346 Cb 0.37 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 3mx3 h ALA 346 CO 0.00 -0.56 -0.06 1.49 0.00 0.00 0.00 179.25 180.13 3mx3 h GLU 347 N -0.11 0.04 -0.79 0.00 4.81 -1.89 -0.81 114.58 115.82 3mx3 h GLU 347 Ca 0.04 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3mx3 h GLU 347 Cb 0.16 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3mx3 h GLU 347 CO -0.09 0.03 0.47 0.37 -0.73 0.00 0.00 179.01 179.05 3mx3 h GLN 348 N 0.04 1.08 -0.13 1.92 4.15 -1.02 -0.98 115.11 120.16 3mx3 h GLN 348 Ca 0.18 -0.10 -0.11 0.00 0.77 0.00 0.00 58.65 59.40 3mx3 h GLN 348 Cb 0.27 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3mx3 h GLN 348 CO -0.36 0.76 -0.39 -0.91 -1.93 0.00 0.00 178.83 176.00 3mx3 h ASN 349 N 1.09 0.31 -0.18 -0.69 2.35 -0.81 0.19 115.58 117.85 3mx3 h ASN 349 Ca 0.28 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 3mx3 h ASN 349 Cb -0.03 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3mx3 h ASN 349 CO -0.05 0.68 -0.22 -0.26 -1.65 0.00 0.00 177.43 175.93 3mx3 h PHE 350 N 0.25 0.70 0.11 1.19 0.04 -0.03 -0.11 116.94 119.09 3mx3 h PHE 350 Ca 0.02 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 3mx3 h PHE 350 Cb 0.81 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.79 3mx3 h PHE 350 CO 0.02 0.79 -0.05 0.82 -0.60 0.00 0.00 178.31 179.29 3mx3 h ILE 351 N 0.55 0.95 -0.98 -0.55 2.04 -0.88 -2.00 117.51 116.65 3mx3 h ILE 351 Ca 0.08 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.77 3mx3 h ILE 351 Cb 0.67 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 3mx3 h ILE 351 CO 0.05 0.06 0.63 -0.07 0.00 0.00 0.00 178.15 178.82 3mx3 h LEU 352 N -0.26 1.00 -0.17 1.44 3.38 -0.54 -1.33 115.31 118.83 3mx3 h LEU 352 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mx3 h LEU 352 Cb 0.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3mx3 h LEU 352 CO 0.03 0.63 0.10 0.00 0.09 0.00 0.00 178.44 179.28 3mx3 h ALA 353 N 1.45 0.21 -0.58 1.53 0.00 -0.84 -0.62 119.26 120.41 3mx3 h ALA 353 Ca 0.43 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 3mx3 h ALA 353 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3mx3 h ALA 353 CO -0.18 -0.28 0.20 1.49 0.00 0.00 0.00 179.25 180.47 3mx3 h GLU 354 N 0.20 0.85 -0.57 0.00 4.81 -1.01 -1.46 114.58 117.40 3mx3 h GLU 354 Ca 0.06 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3mx3 h GLU 354 Cb 0.02 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 3mx3 h GLU 354 CO -0.01 0.72 0.12 0.00 -0.73 0.00 0.00 179.01 179.11 3mx3 h ALA 355 N 1.38 1.14 -0.09 2.92 0.00 -0.93 -0.36 119.26 123.33 3mx3 h ALA 355 Ca 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3mx3 h ALA 355 Cb 0.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3mx3 h ALA 355 CO -0.01 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 179.76 3mx3 h ALA 356 N 1.28 0.12 -0.53 0.00 0.00 -0.70 0.29 119.26 119.72 3mx3 h ALA 356 Ca 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3mx3 h ALA 356 Cb 0.33 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3mx3 h ALA 356 CO 0.00 -0.10 0.25 0.28 0.00 0.00 0.00 179.25 179.68 3mx3 h VAL 357 N -0.20 1.18 0.00 0.00 2.07 -1.11 -0.43 116.25 117.77 3mx3 h VAL 357 Ca 0.02 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3mx3 h VAL 357 Cb 0.51 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3mx3 h VAL 357 CO 0.01 0.21 0.00 0.54 0.02 0.00 0.00 177.57 178.36 3mx3 n ARG 358 N -4.37 0.07 -0.81 1.57 1.74 -0.16 -4.90 116.66 109.80 3mx3 n ARG 358 Ca 0.05 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 3mx3 n ARG 358 Cb 0.13 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3mx3 n ARG 358 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mx3 n GLY 359 N 0.98 0.57 0.24 -0.13 0.00 -0.17 -4.95 105.19 101.73 3mx3 n GLY 359 Ca 0.05 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 3mx3 n GLY 359 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3mx3 h TRP 360 N 0.00 0.74 -3.25 1.61 4.06 -0.68 -3.45 115.95 114.98 3mx3 h TRP 360 Ca 0.00 -0.20 -0.39 0.00 2.06 0.00 0.00 58.89 60.37 3mx3 h TRP 360 Cb 0.00 -0.16 -0.15 0.00 -1.00 0.00 0.00 29.16 27.84 3mx3 h TRP 360 CO 0.00 0.89 -0.73 0.96 -3.56 0.00 0.00 178.44 176.00 3mx3 s ILE 361 N -4.37 1.40 -1.08 1.49 -4.36 -1.20 -4.54 121.20 108.54 3mx3 s ILE 361 Ca -0.08 -2.05 0.25 0.00 -0.26 0.00 0.00 60.65 58.52 3mx3 s ILE 361 Cb 0.13 -1.85 0.04 0.00 1.25 0.00 0.00 42.46 42.02 3mx3 s ILE 361 CO 0.83 -0.63 1.45 -1.54 0.24 0.00 0.00 174.94 175.29 3mx3 n SER 362 N -0.11 0.54 -4.60 4.36 3.41 -1.26 -4.47 113.62 111.47 3mx3 n SER 362 Ca -0.10 -0.29 -0.29 0.00 -0.26 0.00 0.00 58.87 57.92 3mx3 n SER 362 Cb 0.60 0.22 0.20 0.00 -0.26 0.00 0.00 64.21 64.97 3mx3 n SER 362 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3mx3 s GLY 363 N -2.95 1.56 -0.30 5.00 0.00 -1.26 -4.93 107.32 104.45 3mx3 s GLY 363 Ca 0.13 -0.21 -0.29 0.00 0.00 0.00 0.00 44.72 44.34 3mx3 s GLY 363 CO 0.68 0.43 1.32 -0.35 0.00 0.00 0.00 173.10 175.18 3mx3 s ASP 364 N -3.05 6.65 0.19 1.64 2.15 -1.26 -4.84 116.67 118.15 3mx3 s ASP 364 Ca 0.66 1.22 -0.14 0.00 0.43 0.00 0.00 52.55 54.73 3mx3 s ASP 364 Cb -0.21 -2.54 0.20 0.00 -0.30 0.00 0.00 42.92 40.06 3mx3 s ASP 364 CO 0.60 -1.10 1.68 0.00 -0.17 0.00 0.00 175.17 176.18 3mx3 h ALA 365 N 9.41 0.47 -0.62 3.66 0.00 -1.90 -2.55 119.26 127.73 3mx3 h ALA 365 Ca -0.27 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3mx3 h ALA 365 Cb 1.10 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 3mx3 h ALA 365 CO 1.03 -0.39 0.35 0.77 0.00 0.00 0.00 179.25 181.01 3mx3 h SER 366 N 0.10 0.75 -0.50 0.00 0.02 -1.92 -1.44 113.55 110.56 3mx3 h SER 366 Ca 0.26 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 61.04 3mx3 h SER 366 Cb 0.39 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3mx3 h SER 366 CO -0.44 0.60 -0.16 0.00 -1.14 0.00 0.00 176.83 175.69 3mx3 h ALA 367 N 1.53 0.70 -0.28 3.77 0.00 -1.88 -1.07 119.26 122.03 3mx3 h ALA 367 Ca 0.22 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3mx3 h ALA 367 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3mx3 h ALA 367 CO -0.04 0.65 0.10 1.88 0.00 0.00 0.00 179.25 181.84 3mx3 h TYR 368 N 0.86 0.45 -0.22 0.00 0.05 -1.20 -1.44 116.97 115.46 3mx3 h TYR 368 Ca 0.12 -0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.91 3mx3 h TYR 368 Cb 0.74 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 38.30 3mx3 h TYR 368 CO 0.05 0.47 -0.10 -0.92 -1.05 0.00 0.00 178.16 176.61 3mx3 h TYR 369 N 0.30 -0.23 -0.15 4.88 3.20 -1.17 -0.10 116.97 123.68 3mx3 h TYR 369 Ca 0.09 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.87 3mx3 h TYR 369 Cb 0.22 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 3mx3 h TYR 369 CO 0.00 -0.16 -0.40 0.87 -1.64 0.00 0.00 178.16 176.83 3mx3 h LYS 370 N -0.07 0.35 -0.85 1.82 1.57 -1.14 -1.32 116.57 116.93 3mx3 h LYS 370 Ca 0.12 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3mx3 h LYS 370 Cb 0.24 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 3mx3 h LYS 370 CO -0.27 0.70 0.47 -0.22 -0.57 0.00 0.00 179.45 179.56 3mx3 h LYS 371 N 0.29 1.19 -0.13 3.15 3.64 -0.91 -0.57 116.57 123.22 3mx3 h LYS 371 Ca 0.03 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 3mx3 h LYS 371 Cb 0.84 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3mx3 h LYS 371 CO 0.07 0.87 0.02 0.00 -2.27 0.00 0.00 179.45 178.14 3mx3 h ALA 372 N 1.31 0.18 -0.57 5.00 0.00 -0.41 -0.22 119.26 124.55 3mx3 h ALA 372 Ca 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3mx3 h ALA 372 Cb 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3mx3 h ALA 372 CO -0.05 -0.16 0.20 0.82 0.00 0.00 0.00 179.25 180.06 3mx3 h ILE 373 N -0.00 1.23 -0.49 0.00 2.04 -1.18 -2.12 117.51 116.99 3mx3 h ILE 373 Ca 0.04 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 3mx3 h ILE 373 Cb 0.30 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 3mx3 h ILE 373 CO 0.00 0.29 0.26 -0.09 0.00 0.00 0.00 178.15 178.62 3mx3 h ARG 374 N 0.80 0.69 -0.65 2.37 2.43 -1.06 -2.92 114.38 116.04 3mx3 h ARG 374 Ca 0.19 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3mx3 h ARG 374 Cb 0.25 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 3mx3 h ARG 374 CO -0.01 0.55 0.31 0.00 -1.51 0.00 0.00 179.97 179.32 3mx3 h ALA 375 N 1.10 1.32 0.00 2.80 0.00 -0.60 -0.39 119.26 123.49 3mx3 h ALA 375 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3mx3 h ALA 375 Cb 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3mx3 h ALA 375 CO -0.03 0.53 0.00 1.58 0.00 0.00 0.00 179.25 181.33 3mx3 n HIS 376 N -4.34 0.00 0.00 0.00 -0.00 -0.84 -0.48 115.22 109.56 3mx3 n HIS 376 Ca 0.06 -0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 3mx3 n HIS 376 Cb 0.13 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.01 3mx3 n HIS 376 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3mx3 n GLU 378 N 0.47 0.00 0.03 1.57 1.02 -0.16 -1.38 120.64 122.20 3mx3 n GLU 378 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 3mx3 n GLU 378 Cb 0.20 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.58 3mx3 n GLU 378 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3mx3 h PHE 379 N 0.00 -0.45 -0.07 -0.32 3.57 -1.02 0.16 116.94 118.81 3mx3 h PHE 379 Ca 0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3mx3 h PHE 379 Cb 0.00 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 3mx3 h PHE 379 CO 0.00 -0.25 -0.27 0.82 -2.23 0.00 0.00 178.31 176.38 3mx3 h ILE 380 N -0.26 0.38 -0.71 1.41 2.04 -1.50 -2.43 117.51 116.44 3mx3 h ILE 380 Ca 0.07 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.00 3mx3 h ILE 380 Cb 0.36 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 3mx3 h ILE 380 CO -0.20 0.00 0.39 0.00 0.00 0.00 0.00 178.15 178.34 3mx3 h ALA 381 N 0.48 0.97 0.00 1.87 0.00 -1.79 -1.04 119.26 119.76 3mx3 h ALA 381 Ca 0.08 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3mx3 h ALA 381 Cb 0.50 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3mx3 h ALA 381 CO -0.29 0.05 -0.17 0.77 0.00 0.00 0.00 179.25 179.61 3mx3 h SER 382 N 0.70 0.00 -0.20 0.00 0.02 -0.55 -3.21 113.55 110.30 3mx3 h SER 382 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3mx3 h SER 382 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 3mx3 h SER 382 CO -0.21 0.17 0.00 0.59 -1.14 0.00 0.00 176.83 176.23 3mx3 n ASN 383 N -4.10 3.26 -3.89 3.07 3.02 -0.47 -4.97 115.26 111.18 3mx3 n ASN 383 Ca -0.02 -2.80 -0.19 0.00 -0.03 0.00 0.00 54.58 51.54 3mx3 n ASN 383 Cb 0.24 -0.43 -0.16 0.00 -0.61 0.00 0.00 39.78 38.82 3mx3 n ASN 383 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3mx3 s THR 384 N -2.42 0.48 0.65 3.41 2.01 -0.76 -4.74 115.64 114.27 3mx3 s THR 384 Ca 0.34 -0.10 -0.18 0.00 0.31 0.00 0.00 61.69 62.06 3mx3 s THR 384 Cb 0.27 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 3mx3 s THR 384 CO 0.08 0.21 1.28 -2.84 -0.69 0.00 0.00 174.62 172.66 3mx3 s PRO 385 N 0.84 2.57 -1.33 4.92 0.02 -1.26 -4.84 135.00 135.91 3mx3 s PRO 385 Ca -0.11 2.03 -0.15 0.00 0.02 0.00 0.00 61.00 62.80 3mx3 s PRO 385 Cb -0.14 -1.85 0.09 0.00 0.02 0.00 0.00 34.50 32.63 3mx3 s PRO 385 CO 0.00 -1.58 1.87 -3.47 -0.33 0.00 0.00 177.00 173.49 3mx3 n ASP 386 N -1.92 4.68 -4.01 2.53 2.03 -1.26 -4.78 116.55 113.82 3mx3 n ASP 386 Ca 0.16 -2.94 -0.10 0.00 0.52 0.00 0.00 54.79 52.43 3mx3 n ASP 386 Cb 0.48 -1.65 -0.11 0.00 -0.72 0.00 0.00 41.12 39.13 3mx3 n ASP 386 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3mx3 s GLU 387 N 2.82 0.38 0.33 -0.67 2.02 -1.26 -5.06 118.70 117.27 3mx3 s GLU 387 Ca 0.48 -0.70 0.06 0.00 0.02 0.00 0.00 54.97 54.83 3mx3 s GLU 387 Cb 0.07 0.04 0.59 0.00 0.10 0.00 0.00 34.13 34.94 3mx3 s GLU 387 CO 0.00 -0.04 1.82 1.49 0.02 0.00 0.00 175.26 178.55 3mx3 h GLU 388 N 4.47 0.35 -0.35 1.61 4.22 -1.96 -1.96 114.58 120.96 3mx3 h GLU 388 Ca -0.33 -0.11 0.10 0.00 0.08 0.00 0.00 59.36 59.11 3mx3 h GLU 388 Cb 1.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3mx3 h GLU 388 CO 0.43 0.53 0.33 -0.24 -2.18 0.00 0.00 179.01 177.88 3mx3 h VAL 389 N 0.32 0.52 0.00 0.32 3.04 -1.97 0.83 116.25 119.32 3mx3 h VAL 389 Ca 0.06 0.00 -0.38 0.00 -1.01 0.00 0.00 66.70 65.37 3mx3 h VAL 389 Cb 0.53 0.75 -0.07 0.00 -2.01 0.00 0.00 31.29 30.49 3mx3 h VAL 389 CO 0.03 0.00 -2.43 -1.22 -1.01 0.00 0.00 177.57 172.95 3mx3 n TYR 390 N -3.95 0.00 0.79 3.17 4.01 -0.78 -4.45 117.16 115.96 3mx3 n TYR 390 Ca 0.06 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.88 3mx3 n TYR 390 Cb 0.49 -0.96 -0.09 0.00 -0.31 0.00 0.00 39.34 38.47 3mx3 n TYR 390 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 3mx3 n HIS 391 N -3.27 0.00 -2.03 -0.72 1.44 -0.96 -4.09 115.22 105.59 3mx3 n HIS 391 Ca -0.45 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.10 3mx3 n HIS 391 Cb 0.97 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 31.04 3mx3 n HIS 391 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3mx3 n HIS 392 N -1.31 -0.80 0.00 -1.40 8.25 0.28 -0.40 115.22 119.83 3mx3 n HIS 392 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3mx3 n HIS 392 Cb 0.27 -3.19 0.00 0.00 1.12 0.00 0.00 29.99 28.19 3mx3 n HIS 392 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mx3 n GLY 393 N -0.66 0.32 2.58 -1.41 0.00 -1.26 -3.25 105.19 101.51 3mx3 n GLY 393 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 3mx3 n GLY 393 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3mx3 n HIS 394 N -1.95 3.74 -1.73 1.61 8.25 0.46 -5.07 115.22 120.53 3mx3 n HIS 394 Ca 0.00 -4.06 -0.42 0.00 -0.26 0.00 0.00 57.72 52.98 3mx3 n HIS 394 Cb 0.00 -0.56 -0.01 0.00 1.12 0.00 0.00 29.99 30.54 3mx3 n HIS 394 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3mx3 n PRO 395 N 0.53 2.34 -2.33 -0.41 -0.04 -1.26 -4.91 135.00 128.91 3mx3 n PRO 395 Ca 0.30 0.82 -0.42 0.00 -0.04 0.00 0.00 63.50 64.17 3mx3 n PRO 395 Cb 0.40 -2.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.37 3mx3 n PRO 395 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3mx3 s ILE 396 N -1.03 3.77 0.33 0.52 1.01 -1.26 -4.87 121.20 119.66 3mx3 s ILE 396 Ca 0.55 0.68 0.09 0.00 0.00 0.00 0.00 60.65 61.97 3mx3 s ILE 396 Cb -0.54 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.59 3mx3 s ILE 396 CO 0.62 -1.01 0.07 0.42 0.00 0.00 0.00 174.94 175.04 3mx3 s THR 397 N 6.18 2.91 0.26 2.92 -4.23 -1.26 -4.89 115.64 117.52 3mx3 s THR 397 Ca 0.57 -1.84 -0.02 0.00 -1.18 0.00 0.00 61.69 59.22 3mx3 s THR 397 Cb -0.12 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 71.08 3mx3 s THR 397 CO 0.27 -0.21 1.84 -0.08 -0.54 0.00 0.00 174.62 175.89 3mx3 h GLU 398 N 1.70 0.92 -0.32 3.99 4.57 -1.99 -1.19 114.58 122.26 3mx3 h GLU 398 Ca -0.43 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 57.59 3mx3 h GLU 398 Cb 1.25 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 3mx3 h GLU 398 CO 0.64 0.61 -0.23 1.05 -1.18 0.00 0.00 179.01 179.90 3mx3 h GLU 399 N 0.95 0.63 -0.48 1.92 4.11 -1.98 -0.29 114.58 119.43 3mx3 h GLU 399 Ca 0.44 -0.24 -0.08 0.00 0.07 0.00 0.00 59.36 59.55 3mx3 h GLU 399 Cb 0.35 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3mx3 h GLU 399 CO -0.23 0.81 -0.02 0.00 0.07 0.00 0.00 179.01 179.64 3mx3 h ALA 400 N 1.20 1.06 0.30 1.06 0.00 -1.71 -1.70 119.26 119.47 3mx3 h ALA 400 Ca 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3mx3 h ALA 400 Cb 0.69 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3mx3 h ALA 400 CO 0.05 0.59 -0.14 0.82 0.00 0.00 0.00 179.25 180.56 3mx3 h ILE 401 N 0.76 0.69 -0.98 0.00 2.04 -0.88 -1.68 117.51 117.46 3mx3 h ILE 401 Ca 0.14 -0.62 0.10 0.00 1.00 0.00 0.00 64.86 65.48 3mx3 h ILE 401 Cb 0.49 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 3mx3 h ILE 401 CO 0.02 0.12 0.63 0.00 0.00 0.00 0.00 178.15 178.92 3mx3 h ALA 402 N -0.22 1.51 -0.18 1.87 0.00 -1.05 -1.82 119.26 119.37 3mx3 h ALA 402 Ca -0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3mx3 h ALA 402 Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3mx3 h ALA 402 CO 0.07 0.29 -0.05 0.00 0.00 0.00 0.00 179.25 179.56 3mx3 h ALA 403 N 1.51 0.24 -0.58 0.00 0.00 -1.26 -3.16 119.26 116.02 3mx3 h ALA 403 Ca 0.46 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3mx3 h ALA 403 Cb 0.36 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3mx3 h ALA 403 CO -0.21 0.01 0.23 0.35 0.00 0.00 0.00 179.25 179.63 3mx3 h PHE 404 N 0.05 0.84 0.00 0.00 3.57 -0.71 -2.44 116.94 118.25 3mx3 h PHE 404 Ca 0.04 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3mx3 h PHE 404 Cb 0.49 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 3mx3 h PHE 404 CO 0.05 0.65 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.63 3mx3 h LEU 405 N 0.83 0.00 -3.17 0.59 3.38 -1.32 -1.95 115.31 113.67 3mx3 h LEU 405 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3mx3 h LEU 405 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3mx3 h LEU 405 CO -0.02 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 177.98 3mx3 n GLU 406 N -3.62 3.49 -1.68 1.13 -0.58 -0.93 -4.91 120.64 113.55 3mx3 n GLU 406 Ca -0.02 -2.75 -0.43 0.00 -0.42 0.00 0.00 57.16 53.54 3mx3 n GLU 406 Cb 0.21 -1.81 -0.03 0.00 -0.57 0.00 0.00 31.44 29.24 3mx3 n GLU 406 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3mx3 n THR 407 N 0.50 0.53 -0.12 2.62 -1.04 -0.74 -4.90 114.28 111.14 3mx3 n THR 407 Ca 0.22 -0.09 0.06 0.00 -2.04 0.00 0.00 64.05 62.20 3mx3 n THR 407 Cb 0.84 -2.15 0.39 0.00 -1.82 0.00 0.00 70.33 67.59 3mx3 n THR 407 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3mx3 h PRO 408 N 9.29 0.64 -0.12 -2.82 0.11 -1.93 -2.79 132.00 134.38 3mx3 h PRO 408 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3mx3 h PRO 408 Cb 1.24 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3mx3 h PRO 408 CO 0.94 0.42 0.08 0.00 -0.21 0.00 0.00 178.00 179.23 3mx3 h ALA 409 N 1.65 1.91 -0.02 -0.75 0.00 -1.96 -2.40 119.26 117.70 3mx3 h ALA 409 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3mx3 h ALA 409 Cb 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3mx3 h ALA 409 CO -0.08 0.08 -0.10 0.44 0.00 0.00 0.00 179.25 179.59 3mx3 n ILE 410 N -4.52 0.00 -2.28 0.00 -5.35 -1.05 -4.96 119.36 101.19 3mx3 n ILE 410 Ca -0.01 -0.34 -0.39 0.00 -0.27 0.00 0.00 62.75 61.74 3mx3 n ILE 410 Cb 0.08 1.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.96 3mx3 n ILE 410 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3mx3 s GLN 411 N -2.13 4.14 0.36 6.28 -1.52 -0.90 -4.99 119.66 120.90 3mx3 s GLN 411 Ca 0.29 1.89 -0.27 0.00 -1.95 0.00 0.00 55.36 55.32 3mx3 s GLN 411 Cb 0.20 -2.78 -0.09 0.00 -0.22 0.00 0.00 33.01 30.12 3mx3 s GLN 411 CO 0.38 -0.26 1.23 -0.51 -0.25 0.00 0.00 175.29 175.88 3mx3 s LEU 412 N -2.31 4.34 -0.00 2.90 1.43 -1.26 -4.96 118.68 118.81 3mx3 s LEU 412 Ca 0.55 2.51 0.17 0.00 -1.03 0.00 0.00 54.13 56.32 3mx3 s LEU 412 Cb -0.32 -3.81 -0.20 0.00 0.03 0.00 0.00 46.19 41.89 3mx3 s LEU 412 CO 0.41 -0.57 0.64 -1.54 0.23 0.00 0.00 176.35 175.52 3mx3 n SER 413 N 0.51 0.84 0.00 2.29 3.41 -1.26 -4.98 113.62 114.43 3mx3 n SER 413 Ca 0.02 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.91 3mx3 n SER 413 Cb 0.44 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.54 3mx3 n SER 413 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mx3 n GLY 414 N 1.42 1.13 3.64 5.00 0.00 -1.26 -5.03 105.19 110.09 3mx3 n GLY 414 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3mx3 n GLY 414 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mx3 s GLU 415 N -0.10 4.18 0.14 1.61 2.02 -1.26 -5.00 118.70 120.29 3mx3 s GLU 415 Ca 0.00 0.78 -0.20 0.00 0.02 0.00 0.00 54.97 55.57 3mx3 s GLU 415 Cb 0.00 -3.63 0.02 0.00 0.10 0.00 0.00 34.13 30.62 3mx3 s GLU 415 CO 0.00 -0.42 1.67 -0.22 0.02 0.00 0.00 175.26 176.31 3mx3 h LYS 416 N 7.67 -0.11 -0.22 1.61 3.64 -1.95 -0.98 116.57 126.22 3mx3 h LYS 416 Ca -0.26 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 58.97 3mx3 h LYS 416 Cb 1.11 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3mx3 h LYS 416 CO 0.82 -0.07 -0.48 0.93 -2.27 0.00 0.00 179.45 178.37 3mx3 h GLU 417 N -0.11 0.59 -0.42 1.90 4.39 -1.99 -0.28 114.58 118.67 3mx3 h GLU 417 Ca 0.13 -0.34 -0.05 0.00 0.34 0.00 0.00 59.36 59.44 3mx3 h GLU 417 Cb 0.31 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3mx3 h GLU 417 CO -0.30 0.94 0.04 1.49 -1.16 0.00 0.00 179.01 180.02 3mx3 h GLU 418 N 0.47 0.64 -0.03 2.33 4.81 -1.91 -1.91 114.58 118.97 3mx3 h GLU 418 Ca 0.02 -0.14 -0.21 0.00 -0.13 0.00 0.00 59.36 58.91 3mx3 h GLU 418 Cb 1.02 -0.09 0.02 0.00 0.63 0.00 0.00 28.75 30.32 3mx3 h GLU 418 CO 0.09 0.63 -0.80 -0.44 -0.73 0.00 0.00 179.01 177.77 3mx3 h ASP 419 N 0.62 0.76 -0.71 1.04 3.32 -0.56 -2.05 116.42 118.83 3mx3 h ASP 419 Ca 0.13 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.47 3mx3 h ASP 419 Cb 0.32 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3mx3 h ASP 419 CO 0.01 1.37 0.46 0.40 -1.72 0.00 0.00 179.24 179.76 3mx3 h ILE 420 N 0.22 1.19 -0.59 0.35 2.04 -1.07 -0.94 117.51 118.70 3mx3 h ILE 420 Ca -0.09 -0.38 0.02 0.00 1.00 0.00 0.00 64.86 65.41 3mx3 h ILE 420 Cb 1.47 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 3mx3 h ILE 420 CO 0.16 0.19 0.38 -0.08 0.00 0.00 0.00 178.15 178.79 3mx3 h GLU 421 N 0.97 0.73 -0.44 2.37 4.81 -1.27 -0.91 114.58 120.84 3mx3 h GLU 421 Ca 0.26 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3mx3 h GLU 421 Cb -0.08 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 3mx3 h GLU 421 CO -0.05 0.48 0.18 0.87 -0.73 0.00 0.00 179.01 179.75 3mx3 h LYS 422 N 0.75 0.65 -0.01 1.92 1.57 -1.10 0.09 116.57 120.45 3mx3 h LYS 422 Ca 0.23 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3mx3 h LYS 422 Cb -0.03 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3mx3 h LYS 422 CO -0.08 0.60 0.00 0.82 -0.57 0.00 0.00 179.45 180.22 3mx3 h ILE 423 N 0.56 1.21 -0.61 1.86 2.04 -0.99 -1.38 117.51 120.19 3mx3 h ILE 423 Ca 0.15 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.42 3mx3 h ILE 423 Cb 0.19 1.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 3mx3 h ILE 423 CO -0.01 0.16 0.40 -0.07 0.00 0.00 0.00 178.15 178.63 3mx3 h LEU 424 N -0.23 0.64 -0.04 1.44 -0.00 -1.16 -0.09 115.31 115.87 3mx3 h LEU 424 Ca 0.00 -0.01 -0.19 0.00 -0.00 0.00 0.00 57.88 57.68 3mx3 h LEU 424 Cb 0.26 -0.15 0.01 0.00 -0.00 0.00 0.00 40.66 40.78 3mx3 h LEU 424 CO 0.00 0.45 -0.71 0.74 -0.00 0.00 0.00 178.44 178.92 3mx3 h THR 425 N 0.75 1.36 -0.73 0.22 2.02 -0.80 0.60 112.91 116.32 3mx3 h THR 425 Ca 0.24 -2.04 -0.05 0.00 0.77 0.00 0.00 66.41 65.33 3mx3 h THR 425 Cb 0.02 2.37 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 3mx3 h THR 425 CO -0.06 0.62 0.28 1.56 0.37 0.00 0.00 175.52 178.28 3mx3 h GLN 426 N 0.15 1.11 -0.39 6.66 1.08 -1.09 -1.23 115.11 121.39 3mx3 h GLN 426 Ca -0.08 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3mx3 h GLN 426 Cb 1.38 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 3mx3 h GLN 426 CO 0.14 0.92 0.26 -0.09 -0.95 0.00 0.00 178.83 179.11 3mx3 h ARG 427 N 1.06 0.52 -0.51 1.46 2.43 -0.98 -0.63 114.38 117.73 3mx3 h ARG 427 Ca 0.24 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.47 3mx3 h ARG 427 Cb 0.23 -0.12 -0.08 0.00 -0.42 0.00 0.00 29.97 29.59 3mx3 h ARG 427 CO -0.02 0.34 0.06 -0.92 -1.51 0.00 0.00 179.97 177.93 3mx3 h TYR 428 N 0.53 0.09 -0.33 2.20 5.03 -0.48 -2.07 116.97 121.95 3mx3 h TYR 428 Ca 0.15 0.03 -0.17 0.00 2.58 0.00 0.00 58.73 61.32 3mx3 h TYR 428 Cb -0.06 0.04 -0.00 0.00 1.55 0.00 0.00 36.73 38.26 3mx3 h TYR 428 CO -0.05 -0.05 -0.46 -0.07 -1.32 0.00 0.00 178.16 176.21 3mx3 h LEU 429 N 0.19 0.95 0.00 2.82 3.38 -1.00 -2.79 115.31 118.86 3mx3 h LEU 429 Ca 0.26 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3mx3 h LEU 429 Cb 0.37 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3mx3 h LEU 429 CO -0.37 1.26 0.00 0.00 0.09 0.00 0.00 178.44 179.42 3mx3 n ALA 430 N -2.55 1.78 -0.13 1.53 0.00 -0.26 -3.12 120.51 117.77 3mx3 n ALA 430 Ca -0.03 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.40 3mx3 n ALA 430 Cb 0.58 -1.27 0.13 0.00 0.00 0.00 0.00 19.45 18.89 3mx3 n ALA 430 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mx3 n SER 431 N -1.47 2.74 -2.80 0.00 7.64 -0.81 -4.91 113.62 114.02 3mx3 n SER 431 Ca 0.05 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.95 3mx3 n SER 431 Cb 0.18 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3mx3 n SER 431 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 3mx3 n PHE 432 N 0.37 0.00 0.00 1.43 7.35 -1.18 -4.60 117.46 120.83 3mx3 n PHE 432 Ca 0.10 -0.14 0.00 0.00 -0.76 0.00 0.00 57.45 56.64 3mx3 n PHE 432 Cb 0.39 -0.41 0.00 0.00 0.35 0.00 0.00 39.48 39.81 3mx3 n PHE 432 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3mx3 n GLN 434 N 3.31 0.00 -3.50 -4.13 1.13 -1.26 -5.13 117.38 107.80 3mx3 n GLN 434 Ca 0.00 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.89 3mx3 n GLN 434 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 3mx3 n GLN 434 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3mx3 n HIS 435 N -0.22 -2.36 -1.67 1.08 8.25 -0.52 -4.64 115.22 115.13 3mx3 n HIS 435 Ca 0.00 0.86 -0.56 0.00 -0.26 0.00 0.00 57.72 57.76 3mx3 n HIS 435 Cb 0.00 -3.40 -0.07 0.00 1.12 0.00 0.00 29.99 27.64 3mx3 n HIS 435 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3mx3 n PRO 436 N -2.65 1.10 0.00 -0.41 -0.02 -1.26 -1.24 135.00 130.52 3mx3 n PRO 436 Ca -0.15 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3mx3 n PRO 436 Cb 0.60 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3mx3 n PRO 436 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3mx3 n TYR 437 N 4.45 0.00 -0.19 6.00 4.01 -1.26 -4.87 117.16 125.31 3mx3 n TYR 437 Ca 0.24 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 58.01 3mx3 n TYR 437 Cb 0.14 -0.50 0.30 0.00 -0.31 0.00 0.00 39.34 38.97 3mx3 n TYR 437 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3mx3 h ASP 438 N 0.00 0.75 -0.27 7.72 3.32 -1.49 -1.24 116.42 125.21 3mx3 h ASP 438 Ca 0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3mx3 h ASP 438 Cb 0.00 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 3mx3 h ASP 438 CO 0.00 0.52 0.15 0.58 -1.72 0.00 0.00 179.24 178.78 3mx3 h VAL 439 N 0.87 1.11 -0.82 -1.35 2.07 -1.90 0.52 116.25 116.76 3mx3 h VAL 439 Ca 0.28 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3mx3 h VAL 439 Cb 0.04 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3mx3 h VAL 439 CO -0.08 0.11 0.50 0.22 0.02 0.00 0.00 177.57 178.34 3mx3 h TYR 440 N 0.33 1.07 -0.69 1.57 3.20 -1.83 -0.10 116.97 120.53 3mx3 h TYR 440 Ca 0.09 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3mx3 h TYR 440 Cb 0.04 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 37.92 3mx3 h TYR 440 CO -0.04 0.71 0.23 1.88 -1.64 0.00 0.00 178.16 179.30 3mx3 h TYR 441 N 1.12 1.09 -0.22 -3.82 0.05 -0.33 -1.21 116.97 113.65 3mx3 h TYR 441 Ca 0.29 -0.10 -0.06 0.00 0.05 0.00 0.00 58.73 58.91 3mx3 h TYR 441 Cb -0.05 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.35 3mx3 h TYR 441 CO -0.01 0.87 -0.12 -0.44 -1.05 0.00 0.00 178.16 177.41 3mx3 h ASP 442 N 1.00 0.34 -0.24 3.88 3.32 -0.60 -2.06 116.42 122.06 3mx3 h ASP 442 Ca 0.22 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3mx3 h ASP 442 Cb 0.28 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3mx3 h ASP 442 CO -0.01 0.50 0.10 0.22 -1.72 0.00 0.00 179.24 178.32 3mx3 h TYR 443 N 0.34 0.36 -0.29 4.55 3.20 -0.46 -1.00 116.97 123.67 3mx3 h TYR 443 Ca 0.07 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.96 3mx3 h TYR 443 Cb 0.42 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 3mx3 h TYR 443 CO 0.01 0.38 0.01 0.00 -1.64 0.00 0.00 178.16 176.92 3mx3 h ARG 444 N 0.23 0.09 -0.51 1.82 3.08 -0.89 0.24 114.38 118.45 3mx3 h ARG 444 Ca 0.08 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 3mx3 h ARG 444 Cb 0.17 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3mx3 h ARG 444 CO -0.01 0.06 0.05 -0.09 -1.07 0.00 0.00 179.97 178.92 3mx3 h ARG 445 N 0.10 0.82 0.00 0.04 2.43 -1.17 -3.36 114.38 113.24 3mx3 h ARG 445 Ca 0.14 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3mx3 h ARG 445 Cb 0.18 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3mx3 h ARG 445 CO -0.23 0.79 -0.97 0.25 -1.51 0.00 0.00 179.97 178.30 3mx3 n THR 446 N -4.24 0.00 -1.00 0.20 -2.24 -0.40 -4.87 114.28 101.74 3mx3 n THR 446 Ca 0.03 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3mx3 n THR 446 Cb 0.27 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 68.95 3mx3 n THR 446 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mx3 n GLY 447 N 2.45 0.47 3.31 3.38 0.00 0.85 -5.04 105.19 110.61 3mx3 n GLY 447 Ca 0.00 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 3mx3 n GLY 447 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mx3 s TYR 448 N -1.95 2.00 0.73 1.61 2.02 -1.26 -3.65 117.35 116.85 3mx3 s TYR 448 Ca 0.00 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.20 3mx3 s TYR 448 Cb 0.00 -1.13 0.03 0.00 -0.40 0.00 0.00 41.96 40.46 3mx3 s TYR 448 CO 0.00 0.20 1.07 -1.25 -1.57 0.00 0.00 175.55 174.01 3mx3 s PRO 449 N -1.68 2.63 0.09 -1.71 0.04 -1.26 -3.86 135.00 129.24 3mx3 s PRO 449 Ca 0.09 1.05 -0.31 0.00 0.04 0.00 0.00 61.00 61.88 3mx3 s PRO 449 Cb -0.10 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3mx3 s PRO 449 CO 0.04 -1.35 1.61 0.08 0.04 0.00 0.00 177.00 177.42 3mx3 s VAL 450 N -2.98 3.00 0.17 -0.36 1.01 -1.24 -5.00 120.40 115.00 3mx3 s VAL 450 Ca 0.59 0.53 -0.03 0.00 0.00 0.00 0.00 61.98 63.07 3mx3 s VAL 450 Cb -0.15 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 3mx3 s VAL 450 CO 0.55 0.01 0.38 -0.76 0.00 0.00 0.00 175.10 175.29 3mx3 s LEU 451 N 2.26 4.24 -0.14 3.92 1.43 -1.26 -5.06 118.68 124.07 3mx3 s LEU 451 Ca 0.72 0.52 -0.29 0.00 -1.03 0.00 0.00 54.13 54.05 3mx3 s LEU 451 Cb -0.40 -3.26 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 3mx3 s LEU 451 CO 0.32 0.01 1.31 -2.16 0.23 0.00 0.00 176.35 176.06 3mx3 s PRO 452 N -2.93 4.24 -0.05 1.29 0.04 -1.26 -5.00 135.00 131.33 3mx3 s PRO 452 Ca 0.40 1.74 0.01 0.00 0.04 0.00 0.00 61.00 63.19 3mx3 s PRO 452 Cb -0.12 -3.77 0.02 0.00 0.04 0.00 0.00 34.50 30.67 3mx3 s PRO 452 CO 0.27 -0.70 -0.05 0.42 0.04 0.00 0.00 177.00 176.97 3mx3 s ILE 453 N 3.44 0.63 -0.24 0.56 1.01 -1.26 -4.58 121.20 120.76 3mx3 s ILE 453 Ca 0.57 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.08 3mx3 s ILE 453 Cb -0.24 -0.66 0.06 0.00 0.01 0.00 0.00 42.46 41.64 3mx3 s ILE 453 CO 0.17 0.26 -0.05 0.21 0.00 0.00 0.00 174.94 175.53 3mx3 s ASN 454 N 1.05 3.89 0.32 3.58 3.84 -1.26 -5.02 114.94 121.34 3mx3 s ASN 454 Ca -0.09 -1.22 0.10 0.00 0.21 0.00 0.00 52.86 51.86 3mx3 s ASN 454 Cb -0.14 -1.19 0.95 0.00 -0.55 0.00 0.00 41.25 40.32 3mx3 s ASN 454 CO -0.01 -0.24 1.66 -0.65 -2.79 0.00 0.00 177.10 175.07 3mx3 h PRO 455 N 7.95 0.28 0.00 0.43 0.11 -1.94 0.36 132.00 139.18 3mx3 h PRO 455 Ca -0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3mx3 h PRO 455 Cb 1.07 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3mx3 h PRO 455 CO 0.42 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 3mx3 h ALA 456 N 1.83 1.00 0.00 -0.75 0.00 -1.95 -3.28 119.26 116.10 3mx3 h ALA 456 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 3mx3 h ALA 456 Cb 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3mx3 h ALA 456 CO -0.63 0.00 -0.82 0.25 0.00 0.00 0.00 179.25 178.05 3mx3 n THR 457 N -2.32 0.00 -1.87 0.00 -2.24 -0.12 -5.02 114.28 102.70 3mx3 n THR 457 Ca 0.03 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 3mx3 n THR 457 Cb 0.30 0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 3mx3 n THR 457 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3mx3 s ASN 458 N -1.93 6.57 0.00 3.42 2.47 0.11 -4.87 114.94 120.71 3mx3 s ASN 458 Ca -0.00 2.47 0.23 0.00 0.42 0.00 0.00 52.86 55.98 3mx3 s ASN 458 Cb 0.01 -2.54 0.66 0.00 -1.45 0.00 0.00 41.25 37.93 3mx3 s ASN 458 CO 0.07 -0.95 1.51 0.54 -3.72 0.00 0.00 177.10 174.55 3mx3 n ARG 459 N 6.63 1.96 -1.88 0.43 1.74 0.40 -4.82 116.66 121.12 3mx3 n ARG 459 Ca 0.18 -1.43 -0.34 0.00 -0.77 0.00 0.00 57.85 55.48 3mx3 n ARG 459 Cb 0.41 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.45 3mx3 n ARG 459 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3mx3 s ASN 460 N -1.65 5.15 0.00 0.55 2.47 -1.21 -4.70 114.94 115.54 3mx3 s ASN 460 Ca 0.34 2.16 -0.03 0.00 0.42 0.00 0.00 52.86 55.76 3mx3 s ASN 460 Cb 0.19 -2.57 -0.12 0.00 -1.45 0.00 0.00 41.25 37.30 3mx3 s ASN 460 CO 0.29 -1.61 1.89 0.35 -3.72 0.00 0.00 177.10 174.30 3mx3 n THR 461 N -2.03 1.33 0.00 -5.21 -2.24 -1.26 -4.94 114.28 99.93 3mx3 n THR 461 Ca 0.12 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3mx3 n THR 461 Cb 0.51 -1.72 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 3mx3 n THR 461 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3mx3 n ASN 463 N 2.77 1.61 -1.20 3.42 3.02 -1.26 -5.14 115.26 118.48 3mx3 n ASN 463 Ca 0.19 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.86 3mx3 n ASN 463 Cb 0.41 0.22 0.25 0.00 -0.61 0.00 0.00 39.78 40.05 3mx3 n ASN 463 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3mx3 n ASP 464 N -0.81 3.55 -3.73 6.41 5.75 -1.26 -3.89 116.55 122.57 3mx3 n ASP 464 Ca 0.00 -1.99 -0.09 0.00 -0.01 0.00 0.00 54.79 52.70 3mx3 n ASP 464 Cb 0.10 -0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 3mx3 n ASP 464 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mx3 s ARG 465 N -1.36 1.58 0.39 0.11 1.70 -1.26 -5.05 118.95 115.06 3mx3 s ARG 465 Ca 0.42 -0.85 -0.16 0.00 -0.47 0.00 0.00 55.73 54.67 3mx3 s ARG 465 Cb 0.23 0.58 -0.09 0.00 -0.57 0.00 0.00 34.95 35.11 3mx3 s ARG 465 CO 0.32 -0.71 0.83 -0.51 -1.08 0.00 0.00 175.30 174.15 3mx3 s LEU 466 N -2.87 3.94 0.00 -1.89 1.02 -1.26 -4.79 118.68 112.83 3mx3 s LEU 466 Ca 0.09 1.40 0.00 0.00 0.02 0.00 0.00 54.13 55.63 3mx3 s LEU 466 Cb -0.04 -4.24 0.00 0.00 0.02 0.00 0.00 46.19 41.93 3mx3 s LEU 466 CO 0.00 -0.32 0.00 -0.81 0.02 0.00 0.00 176.35 175.24 3mx3 n PRO 467 N -0.73 -0.04 -0.81 1.29 -0.04 -1.26 -4.99 135.00 128.42 3mx3 n PRO 467 Ca 0.05 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.17 3mx3 n PRO 467 Cb 0.54 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.11 3mx3 n PRO 467 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3mx3 n ARG 469 N -0.73 -0.44 0.00 0.54 1.85 -0.97 -5.01 116.66 111.91 3mx3 n ARG 469 Ca 0.00 -0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.75 3mx3 n ARG 469 Cb 0.00 -1.71 0.00 0.00 -1.05 0.00 0.00 32.46 29.70 3mx3 n ARG 469 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 3mx3 n TRP 470 N -3.58 0.00 -4.08 2.89 8.01 0.06 -4.38 117.44 116.37 3mx3 n TRP 470 Ca 0.05 0.00 -0.24 0.00 -1.31 0.00 0.00 57.50 55.99 3mx3 n TRP 470 Cb 0.56 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.81 3mx3 n TRP 470 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3mx3 s TYR 472 N 2.11 3.18 0.56 -5.99 2.02 -1.26 -4.80 117.35 113.16 3mx3 s TYR 472 Ca 0.00 -0.04 -0.21 0.00 -0.37 0.00 0.00 57.07 56.45 3mx3 s TYR 472 Cb 0.00 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 40.03 3mx3 s TYR 472 CO 0.00 0.52 1.27 -1.25 -1.57 0.00 0.00 175.55 174.51 3mx3 s PRO 473 N -3.43 3.14 0.40 -1.71 0.04 -1.19 -4.61 135.00 127.64 3mx3 s PRO 473 Ca 0.32 2.00 0.07 0.00 0.04 0.00 0.00 61.00 63.43 3mx3 s PRO 473 Cb -0.09 -2.14 0.83 0.00 0.04 0.00 0.00 34.50 33.14 3mx3 s PRO 473 CO 0.25 -1.12 2.05 -0.22 0.04 0.00 0.00 177.00 177.99 3mx3 h LYS 474 N 1.29 0.59 -0.65 4.56 1.63 -1.99 -2.50 116.57 119.49 3mx3 h LYS 474 Ca -0.50 -0.04 0.18 0.00 -0.85 0.00 0.00 60.65 59.44 3mx3 h LYS 474 Cb 1.29 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.76 3mx3 h LYS 474 CO 0.57 0.39 0.46 0.66 -3.45 0.00 0.00 179.45 178.08 3mx3 h SER 475 N 0.61 0.04 -0.33 4.20 4.64 -1.98 -1.40 113.55 119.33 3mx3 h SER 475 Ca 0.17 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.41 3mx3 h SER 475 Cb -0.03 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3mx3 h SER 475 CO -0.04 0.02 -0.07 -0.33 -0.87 0.00 0.00 176.83 175.54 3mx3 h GLU 476 N 0.04 0.74 0.00 4.77 4.39 -1.82 0.50 114.58 123.21 3mx3 h GLU 476 Ca 0.31 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3mx3 h GLU 476 Cb 1.18 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3mx3 h GLU 476 CO -0.02 0.80 -0.05 0.66 -1.16 0.00 0.00 179.01 179.25 3mx3 h SER 477 N 0.68 0.00 -0.09 1.42 4.64 -1.44 -0.10 113.55 118.66 3mx3 h SER 477 Ca 0.12 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.24 3mx3 h SER 477 Cb 0.53 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.63 3mx3 h SER 477 CO 0.03 0.00 -0.71 0.44 -0.87 0.00 0.00 176.83 175.72 3mx3 h ASP 478 N 0.00 0.79 0.00 4.97 3.32 -0.88 -3.38 116.42 121.24 3mx3 h ASP 478 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.38 3mx3 h ASP 478 Cb 0.89 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.21 3mx3 h ASP 478 CO 0.00 1.33 0.00 -1.22 -1.72 0.00 0.00 179.24 177.63 3mx3 n TYR 479 N -4.06 0.00 -2.79 4.55 4.01 0.13 -4.79 117.16 114.22 3mx3 n TYR 479 Ca -0.09 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.64 3mx3 n TYR 479 Cb 0.71 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.81 3mx3 n TYR 479 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3mx3 n ASN 480 N -0.65 0.94 -0.22 7.72 5.15 -0.09 -4.93 115.26 123.18 3mx3 n ASN 480 Ca 0.00 -2.14 -0.01 0.00 -0.60 0.00 0.00 54.58 51.83 3mx3 n ASN 480 Cb 0.01 -0.25 0.10 0.00 -0.53 0.00 0.00 39.78 39.11 3mx3 n ASN 480 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3mx3 h LEU 481 N 2.36 0.49 -0.29 1.20 5.85 -1.62 -2.03 115.31 121.27 3mx3 h LEU 481 Ca -0.19 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 3mx3 h LEU 481 Cb 1.27 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3mx3 h LEU 481 CO 0.14 0.31 0.06 -0.08 -0.34 0.00 0.00 178.44 178.53 3mx3 h GLU 482 N 0.62 0.47 -0.41 1.25 4.81 -1.93 0.84 114.58 120.24 3mx3 h GLU 482 Ca 0.30 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 59.26 3mx3 h GLU 482 Cb 0.22 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 3mx3 h GLU 482 CO -0.20 0.57 -0.31 0.45 -0.73 0.00 0.00 179.01 178.79 3mx3 h HIS 483 N 0.30 1.06 -0.47 0.92 3.86 -1.87 -0.97 115.15 117.98 3mx3 h HIS 483 Ca 0.09 -0.29 -0.03 0.00 -1.16 0.00 0.00 60.37 58.98 3mx3 h HIS 483 Cb 0.32 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 3mx3 h HIS 483 CO 0.02 1.09 0.17 0.37 0.86 0.00 0.00 177.93 180.44 3mx3 h GLN 484 N 0.76 0.71 -0.55 2.45 4.15 -1.23 -2.32 115.11 119.08 3mx3 h GLN 484 Ca 0.08 -0.14 -0.08 0.00 0.77 0.00 0.00 58.65 59.28 3mx3 h GLN 484 Cb 0.88 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 3mx3 h GLN 484 CO 0.08 0.66 0.03 -0.91 -1.93 0.00 0.00 178.83 176.76 3mx3 h ASN 485 N 0.62 0.88 -0.81 -0.69 2.35 -0.67 0.55 115.58 117.82 3mx3 h ASN 485 Ca 0.15 -0.22 0.09 0.00 -0.55 0.00 0.00 56.30 55.77 3mx3 h ASN 485 Cb 0.22 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.29 3mx3 h ASN 485 CO -0.01 0.93 0.46 -0.33 -1.65 0.00 0.00 177.43 176.83 3mx3 h GLU 486 N 0.86 0.76 -0.11 0.81 5.08 -0.98 -0.30 114.58 120.70 3mx3 h GLU 486 Ca 0.16 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 3mx3 h GLU 486 Cb 0.47 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3mx3 h GLU 486 CO 0.02 0.51 -0.68 0.00 -1.00 0.00 0.00 179.01 177.86 3mx3 h ALA 487 N 1.44 0.61 -0.13 3.43 0.00 -0.80 -2.08 119.26 121.73 3mx3 h ALA 487 Ca 0.39 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 3mx3 h ALA 487 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3mx3 h ALA 487 CO -0.24 0.73 -0.49 -0.07 0.00 0.00 0.00 179.25 179.18 3mx3 h LEU 488 N 0.34 0.38 -0.24 0.00 3.38 -0.36 -1.24 115.31 117.57 3mx3 h LEU 488 Ca -0.02 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 3mx3 h LEU 488 Cb 1.24 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 3mx3 h LEU 488 CO 0.12 0.81 -0.31 -0.08 0.09 0.00 0.00 178.44 179.07 3mx3 h GLU 489 N 0.28 0.63 -0.25 1.13 4.57 -1.00 0.90 114.58 120.83 3mx3 h GLU 489 Ca 0.01 -0.36 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 3mx3 h GLU 489 Cb 0.97 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.57 3mx3 h GLU 489 CO 0.08 0.96 0.10 -0.09 -1.18 0.00 0.00 179.01 178.88 3mx3 h ARG 490 N 0.33 0.38 0.19 1.92 2.43 -1.31 -2.48 114.38 115.84 3mx3 h ARG 490 Ca 0.03 -0.07 -0.25 0.00 -0.81 0.00 0.00 59.98 58.88 3mx3 h ARG 490 Cb 0.88 -0.06 0.03 0.00 -0.42 0.00 0.00 29.97 30.40 3mx3 h ARG 490 CO 0.07 0.43 -1.09 1.96 -1.51 0.00 0.00 179.97 179.83 3mx3 h GLN 491 N 0.25 0.41 0.00 0.20 4.20 -1.28 -3.42 115.11 115.46 3mx3 h GLN 491 Ca 0.08 -0.69 0.00 0.00 0.06 0.00 0.00 58.65 58.10 3mx3 h GLN 491 Cb 0.19 0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3mx3 h GLN 491 CO -0.01 1.33 0.00 1.19 -0.67 0.00 0.00 178.83 180.67 3mx3 n PHE 492 N -3.96 0.00 -1.34 2.96 3.72 -0.62 -4.95 117.46 113.27 3mx3 n PHE 492 Ca -0.15 -0.10 -0.09 0.00 -0.05 0.00 0.00 57.45 57.05 3mx3 n PHE 492 Cb 0.94 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 39.43 3mx3 n PHE 492 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3mx3 n GLY 493 N -0.10 1.02 0.00 1.37 0.00 -0.93 -4.19 105.19 102.35 3mx3 n GLY 493 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3mx3 n GLY 493 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mx3 n GLY 494 N -1.76 2.33 3.65 -0.02 0.00 0.21 -4.83 105.19 104.77 3mx3 n GLY 494 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 3mx3 n GLY 494 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mx3 s VAL 495 N -2.14 4.70 -0.80 1.61 0.11 -1.26 -4.66 120.40 117.96 3mx3 s VAL 495 Ca 0.00 -0.07 -0.26 0.00 -2.93 0.00 0.00 61.98 58.72 3mx3 s VAL 495 Cb 0.00 -3.09 0.03 0.00 -1.53 0.00 0.00 36.38 31.79 3mx3 s VAL 495 CO 0.00 0.50 1.38 -0.62 -3.33 0.00 0.00 175.10 173.03 3mx3 s ASP 496 N 0.07 6.14 -0.04 3.54 -1.08 -1.26 -4.79 116.67 119.25 3mx3 s ASP 496 Ca 0.05 -0.62 0.03 0.00 -0.52 0.00 0.00 52.55 51.48 3mx3 s ASP 496 Cb -0.12 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 3mx3 s ASP 496 CO 0.01 -1.83 -0.12 -0.62 0.52 0.00 0.00 175.17 173.13 3mx3 s ASP 497 N 4.49 1.59 0.47 -0.34 -1.08 -1.26 -4.99 116.67 115.55 3mx3 s ASP 497 Ca 0.41 -0.25 0.30 0.00 -0.52 0.00 0.00 52.55 52.48 3mx3 s ASP 497 Cb -0.06 -0.48 1.11 0.00 -1.46 0.00 0.00 42.92 42.02 3mx3 s ASP 497 CO 0.09 0.09 1.87 -0.37 0.52 0.00 0.00 175.17 177.37 3mx3 h VAL 498 N 5.43 0.00 -0.61 1.11 -1.51 -1.91 -2.90 116.25 115.86 3mx3 h VAL 498 Ca -0.33 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 3mx3 h VAL 498 Cb 1.17 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 3mx3 h VAL 498 CO 0.48 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.41 3mx3 n ASN 499 N -2.91 3.53 -4.86 4.19 3.02 -1.26 -2.29 115.26 114.68 3mx3 n ASN 499 Ca 0.02 -1.99 -0.32 0.00 -0.03 0.00 0.00 54.58 52.26 3mx3 n ASN 499 Cb 0.34 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 3mx3 n ASN 499 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mx3 s LYS 500 N -1.20 3.94 0.27 3.52 -0.14 -1.10 -5.01 119.74 120.02 3mx3 s LYS 500 Ca 0.44 0.58 0.02 0.00 -1.36 0.00 0.00 55.97 55.64 3mx3 s LYS 500 Cb 0.23 -2.45 0.05 0.00 -1.68 0.00 0.00 37.83 33.98 3mx3 s LYS 500 CO 0.31 0.15 0.37 1.28 -0.76 0.00 0.00 175.35 176.69 3mx3 n LEU 501 N -0.49 0.00 -0.02 3.17 4.77 -1.26 -4.44 117.00 118.73 3mx3 n LEU 501 Ca 0.03 -0.91 -0.19 0.00 -0.03 0.00 0.00 56.01 54.91 3mx3 n LEU 501 Cb 0.53 -0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 41.27 3mx3 n LEU 501 CO 0.43 -0.65 -0.13 -0.25 -1.33 0.00 0.00 177.39 175.46 3mx3 h TRP 503 N -0.26 0.29 0.00 -1.77 7.01 -1.96 -3.45 115.95 115.81 3mx3 h TRP 503 Ca -0.12 -0.21 0.00 0.00 2.11 0.00 0.00 58.89 60.67 3mx3 h TRP 503 Cb 0.49 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.54 3mx3 h TRP 503 CO 0.00 1.35 0.00 -0.84 -2.79 0.00 0.00 178.44 176.16 3mx3 h ILE 504 N -0.60 0.00 -0.00 2.65 3.07 -1.96 -2.13 117.51 118.54 3mx3 h ILE 504 Ca -0.20 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 65.97 3mx3 h ILE 504 Cb 1.47 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 3mx3 h ILE 504 CO 0.02 0.00 -0.54 0.18 -1.05 0.00 0.00 178.15 176.76 3mx3 n LEU 505 N -2.61 1.02 0.00 0.16 4.77 -1.26 -4.55 117.00 114.53 3mx3 n LEU 505 Ca 0.00 -0.31 0.15 0.00 -0.03 0.00 0.00 56.01 55.82 3mx3 n LEU 505 Cb 0.20 -0.12 0.91 0.00 -2.33 0.00 0.00 43.42 42.08 3mx3 n LEU 505 CO 0.20 0.21 1.07 0.00 -1.33 0.00 0.00 177.39 177.55