#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 nan 4.33 0.24 0.00 1.01 -1.26 -5.07 120.40 nan 3mx3 s VAL 36 Ca nan -0.17 0.07 0.00 0.00 0.00 0.00 61.98 nan 3mx3 s VAL 36 Cb nan -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 nan 3mx3 s VAL 36 CO nan 0.36 -0.08 0.42 0.00 0.00 0.00 175.10 nan 3mx3 s THR 37 N 1.46 1.60 0.17 3.92 -4.23 -1.26 -5.04 115.64 112.26 3mx3 s THR 37 Ca 0.06 -2.14 -0.16 0.00 -1.18 0.00 0.00 61.69 58.27 3mx3 s THR 37 Cb -0.15 -2.28 0.10 0.00 1.34 0.00 0.00 72.50 71.51 3mx3 s THR 37 CO 0.03 -0.42 1.68 0.28 -0.54 0.00 0.00 174.62 175.65 3mx3 h SER 38 N 2.41 -0.27 -0.63 3.99 0.02 -1.89 -1.33 113.55 115.84 3mx3 h SER 38 Ca -0.39 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3mx3 h SER 38 Cb 1.23 0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.95 3mx3 h SER 38 CO 0.65 -0.09 0.40 0.77 -1.14 0.00 0.00 176.83 177.42 3mx3 h SER 39 N 0.06 0.74 -0.43 3.07 4.64 -1.95 -0.54 113.55 119.14 3mx3 h SER 39 Ca 0.21 -0.04 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 3mx3 h SER 39 Cb 0.32 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3mx3 h SER 39 CO -0.40 0.56 -0.18 -0.07 -0.87 0.00 0.00 176.83 175.87 3mx3 h LEU 40 N 0.86 0.94 -0.39 5.97 3.38 -1.77 -2.23 115.31 122.07 3mx3 h LEU 40 Ca 0.23 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3mx3 h LEU 40 Cb -0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3mx3 h LEU 40 CO -0.05 1.10 0.09 -0.07 0.09 0.00 0.00 178.44 179.60 3mx3 h LEU 41 N 0.81 0.59 -0.42 1.67 3.38 -0.89 -2.67 115.31 117.78 3mx3 h LEU 41 Ca 0.11 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.94 3mx3 h LEU 41 Cb 0.73 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.24 3mx3 h LEU 41 CO 0.06 0.67 -0.20 0.00 0.09 0.00 0.00 178.44 179.06 3mx3 h ALA 42 N 0.94 0.11 -0.57 1.53 0.00 -0.98 -1.34 119.26 118.95 3mx3 h ALA 42 Ca 0.12 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.27 3mx3 h ALA 42 Cb 0.31 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 3mx3 h ALA 42 CO 0.00 -0.56 0.20 1.15 0.00 0.00 0.00 179.25 180.04 3mx3 h THR 43 N -0.12 0.77 -0.60 0.00 2.02 -0.89 -0.81 112.91 113.27 3mx3 h THR 43 Ca 0.20 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 3mx3 h THR 43 Cb 0.43 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 3mx3 h THR 43 CO -0.49 0.07 0.35 1.23 0.37 0.00 0.00 175.52 177.05 3mx3 h GLY 44 N 0.37 0.88 1.20 2.16 0.00 -1.08 -0.74 103.07 105.87 3mx3 h GLY 44 Ca 0.29 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.17 3mx3 h GLY 44 CO -0.30 0.37 0.11 1.41 0.00 0.00 0.00 176.54 178.12 3mx3 h LEU 45 N 0.81 0.93 -0.50 3.11 3.38 -0.70 -2.30 115.31 120.04 3mx3 h LEU 45 Ca 0.21 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 3mx3 h LEU 45 Cb 0.00 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3mx3 h LEU 45 CO -0.04 0.93 -0.65 -0.07 0.09 0.00 0.00 178.44 178.70 3mx3 h LEU 46 N 0.93 0.47 -0.80 1.67 3.38 -0.75 -2.75 115.31 117.45 3mx3 h LEU 46 Ca 0.19 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 3mx3 h LEU 46 Cb 0.39 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3mx3 h LEU 46 CO 0.01 0.99 -0.41 -0.07 0.09 0.00 0.00 178.44 179.05 3mx3 h LEU 47 N 0.29 0.42 -0.28 1.67 3.38 -1.07 -1.76 115.31 117.95 3mx3 h LEU 47 Ca -0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3mx3 h LEU 47 Cb 1.19 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3mx3 h LEU 47 CO 0.11 0.79 0.16 -2.24 0.09 0.00 0.00 178.44 177.35 3mx3 h ASP 48 N 0.33 0.35 0.81 -0.43 2.03 -1.29 -0.29 116.42 117.93 3mx3 h ASP 48 Ca 0.03 -0.07 -0.07 0.00 -0.73 0.00 0.00 57.03 56.19 3mx3 h ASP 48 Cb 0.87 -0.09 -0.01 0.00 -0.83 0.00 0.00 39.33 39.27 3mx3 h ASP 48 CO 0.07 0.32 -0.34 -0.29 -1.03 0.00 0.00 179.24 177.97 3mx3 h ILE 49 N 0.35 0.84 0.00 4.15 2.10 -1.42 -3.36 117.51 120.17 3mx3 h ILE 49 Ca 0.10 -1.41 0.00 0.00 1.08 0.00 0.00 64.86 64.63 3mx3 h ILE 49 Cb 0.04 1.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.64 3mx3 h ILE 49 CO -0.02 0.34 -0.60 0.35 -1.08 0.00 0.00 178.15 177.14 3mx3 n THR 50 N -3.55 0.00 -1.85 2.19 -2.24 -0.67 -5.04 114.28 103.12 3mx3 n THR 50 Ca -0.00 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.21 3mx3 n THR 50 Cb 0.48 0.91 0.01 0.00 -2.10 0.00 0.00 70.33 69.63 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 -2.11 6.14 0.25 3.42 1.04 -0.15 -5.03 113.70 117.26 3mx3 s SER 51 Ca 0.03 1.45 0.06 0.00 0.48 0.00 0.00 55.95 57.97 3mx3 s SER 51 Cb 0.08 -2.47 -0.05 0.00 0.10 0.00 0.00 66.02 63.67 3mx3 s SER 51 CO 0.42 -0.93 -0.07 -0.44 0.98 0.00 0.00 173.24 173.20 3mx3 s SER 52 N -4.09 2.52 -0.02 7.02 0.01 -1.26 -5.03 113.70 112.84 3mx3 s SER 52 Ca 0.56 -1.16 -0.19 0.00 1.31 0.00 0.00 55.95 56.47 3mx3 s SER 52 Cb -0.11 -0.12 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 3mx3 s SER 52 CO 0.53 -0.34 0.53 -0.55 0.41 0.00 0.00 173.24 173.83 3mx3 s SER 53 N -3.38 6.89 -0.48 2.44 0.15 -1.26 -4.98 113.70 113.08 3mx3 s SER 53 Ca 0.27 1.06 -0.05 0.00 0.70 0.00 0.00 55.95 57.93 3mx3 s SER 53 Cb 0.03 -2.33 -0.08 0.00 -1.71 0.00 0.00 66.02 61.94 3mx3 s SER 53 CO 0.10 0.13 3.08 0.00 1.20 0.00 0.00 173.24 177.76 3mx3 n ALA 54 N 2.69 6.57 -3.45 5.45 0.00 -1.26 -4.26 120.51 126.26 3mx3 n ALA 54 Ca -0.08 -2.73 -0.11 0.00 0.00 0.00 0.00 53.44 50.51 3mx3 n ALA 54 Cb 0.51 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.57 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 1.17 0.42 0.56 0.00 1.04 -1.26 -4.56 113.70 111.07 3mx3 s SER 55 Ca 0.63 -1.32 0.31 0.00 0.48 0.00 0.00 55.95 56.05 3mx3 s SER 55 Cb 0.32 0.79 1.67 0.00 0.10 0.00 0.00 66.02 68.90 3mx3 s SER 55 CO -0.11 -1.57 2.14 0.07 0.98 0.00 0.00 173.24 174.76 3mx3 h LYS 56 N 2.03 0.00 0.00 4.02 2.10 -1.99 -2.29 116.57 120.44 3mx3 h LYS 56 Ca -0.31 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.33 3mx3 h LYS 56 Cb 1.25 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3mx3 h LYS 56 CO 0.41 0.07 -0.02 0.66 -2.00 0.00 0.00 179.45 178.57 3mx3 h SER 57 N 0.00 0.00 -1.01 7.07 4.64 -1.97 -1.73 113.55 120.55 3mx3 h SER 57 Ca -0.00 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.56 3mx3 h SER 57 Cb 0.25 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.23 3mx3 h SER 57 CO 0.01 0.02 0.63 0.15 -0.87 0.00 0.00 176.83 176.76 3mx3 h PHE 58 N 0.00 0.87 -0.60 4.77 3.57 -1.59 -2.70 116.94 121.27 3mx3 h PHE 58 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3mx3 h PHE 58 Cb 0.17 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.66 3mx3 h PHE 58 CO 0.00 0.11 0.00 0.44 -2.23 0.00 0.00 178.31 176.63 3mx3 n ILE 59 N -4.74 1.15 -0.29 1.41 -6.64 -0.65 -4.47 119.36 105.12 3mx3 n ILE 59 Ca 0.25 -1.05 -0.06 0.00 -1.77 0.00 0.00 62.75 60.12 3mx3 n ILE 59 Cb 0.75 0.43 0.07 0.00 -1.44 0.00 0.00 39.64 39.44 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 3.53 1.20 0.00 4.28 0.05 -1.53 -0.28 116.97 124.22 3mx3 h TYR 60 Ca 0.00 -0.08 -0.13 0.00 0.05 0.00 0.00 58.73 58.57 3mx3 h TYR 60 Cb 0.99 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 38.35 3mx3 h TYR 60 CO 0.45 0.90 -0.61 0.38 -1.05 0.00 0.00 178.16 178.23 3mx3 h ASP 61 N 1.16 0.00 -0.58 3.88 2.03 -1.78 0.26 116.42 121.38 3mx3 h ASP 61 Ca 0.27 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.48 3mx3 h ASP 61 Cb 0.19 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.66 3mx3 h ASP 61 CO -0.03 0.61 0.01 -0.33 -1.03 0.00 0.00 179.24 178.47 3mx3 h GLU 62 N 0.00 1.02 -0.32 4.15 3.07 -1.70 -1.66 114.58 119.14 3mx3 h GLU 62 Ca -0.01 -0.32 -0.05 0.00 -0.50 0.00 0.00 59.36 58.48 3mx3 h GLU 62 Cb 1.08 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 3mx3 h GLU 62 CO 0.08 1.01 0.02 -0.07 -1.40 0.00 0.00 179.01 178.64 3mx3 h LEU 63 N 0.91 0.54 -0.15 1.33 3.38 -0.52 -0.35 115.31 120.45 3mx3 h LEU 63 Ca 0.17 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.88 3mx3 h LEU 63 Cb 0.54 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 3mx3 h LEU 63 CO 0.03 0.70 -0.12 0.25 0.09 0.00 0.00 178.44 179.39 3mx3 h LEU 64 N 0.36 -0.38 0.00 1.67 5.85 -0.46 -2.08 115.31 120.28 3mx3 h LEU 64 Ca 0.09 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3mx3 h LEU 64 Cb 0.42 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3mx3 h LEU 64 CO 0.01 -0.16 0.00 0.00 -0.34 0.00 0.00 178.44 177.96 3mx3 n ALA 65 N -2.52 2.51 -2.29 1.25 0.00 -0.63 -4.89 120.51 113.94 3mx3 n ALA 65 Ca -0.03 -0.06 -0.20 0.00 0.00 0.00 0.00 53.44 53.16 3mx3 n ALA 65 Cb 0.19 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.66 -1.54 -0.04 0.00 4.76 -0.78 -5.01 118.16 114.89 3mx3 n LYS 66 Ca 0.07 0.97 0.07 0.00 -2.87 0.00 0.00 58.31 56.56 3mx3 n LYS 66 Cb 0.03 -5.53 0.36 0.00 -1.84 0.00 0.00 35.03 28.05 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 -2.83 1.26 -4.47 1.97 6.02 -0.21 -4.73 117.38 114.39 3mx3 n GLN 67 Ca -0.23 -0.39 -0.23 0.00 -0.01 0.00 0.00 57.00 56.14 3mx3 n GLN 67 Cb 0.67 -1.25 -0.11 0.00 1.02 0.00 0.00 30.24 30.57 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 -1.90 2.53 -0.14 -1.58 0.00 -1.26 -1.52 121.76 117.89 3mx3 s ALA 69 Ca 0.23 -2.02 0.01 0.00 0.00 0.00 0.00 51.96 50.18 3mx3 s ALA 69 Cb 0.11 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.51 3mx3 s ALA 69 CO 0.18 -0.11 -0.14 -0.46 0.00 0.00 0.00 175.76 175.22 3mx3 s TRP 70 N -2.98 2.15 -0.66 0.00 -0.11 -1.26 -4.49 118.94 111.57 3mx3 s TRP 70 Ca 0.32 -1.19 0.25 0.00 1.22 0.00 0.00 56.10 56.71 3mx3 s TRP 70 Cb 0.06 -1.58 0.56 0.00 -1.50 0.00 0.00 33.47 31.00 3mx3 s TRP 70 CO 0.14 -0.65 1.54 0.78 -4.62 0.00 0.00 176.95 174.15 3mx3 h GLY 71 N 7.97 0.00 0.85 5.86 0.00 -1.44 -3.36 103.07 112.95 3mx3 h GLY 71 Ca -0.37 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3mx3 h GLY 71 CO 0.52 0.00 0.04 -2.09 0.00 0.00 0.00 176.54 175.02 3mx3 h GLU 72 N 0.00 0.19 0.00 4.80 4.81 -1.97 -3.45 114.58 118.96 3mx3 h GLU 72 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3mx3 h GLU 72 Cb 0.76 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3mx3 h GLU 72 CO 0.00 0.32 0.00 -1.13 -0.73 0.00 0.00 179.01 177.47 3mx3 n SER 73 N -4.88 0.00 -3.64 1.04 3.41 -1.26 -5.14 113.62 103.15 3mx3 n SER 73 Ca -0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.49 3mx3 n SER 73 Cb 0.13 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.01 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 0.93 0.53 0.28 4.33 0.41 -1.26 -4.83 118.70 119.09 3mx3 s GLU 75 Ca 0.00 0.80 0.03 0.00 -0.41 0.00 0.00 54.97 55.38 3mx3 s GLU 75 Cb 0.00 0.17 0.66 0.00 -1.78 0.00 0.00 34.13 33.18 3mx3 s GLU 75 CO 0.00 -0.09 1.74 -0.44 -0.49 0.00 0.00 175.26 175.98 3mx3 h ASP 76 N 5.59 0.53 1.39 -0.19 3.32 -1.96 -1.31 116.42 123.79 3mx3 h ASP 76 Ca -0.29 0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 3mx3 h ASP 76 Cb 1.19 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3mx3 h ASP 76 CO 0.15 0.15 -0.29 1.88 -1.72 0.00 0.00 179.24 179.41 3mx3 h TYR 77 N 0.58 0.00 -0.31 4.55 0.05 -1.90 0.30 116.97 120.24 3mx3 h TYR 77 Ca 0.53 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 59.18 3mx3 h TYR 77 Cb 0.87 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 3mx3 h TYR 77 CO -0.08 0.29 -0.29 0.37 -1.05 0.00 0.00 178.16 177.40 3mx3 h GLN 78 N 0.00 0.75 -0.61 4.88 4.15 -1.47 -3.14 115.11 119.67 3mx3 h GLN 78 Ca -0.00 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.03 3mx3 h GLN 78 Cb 1.07 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.77 3mx3 h GLN 78 CO 0.04 1.01 0.00 0.66 -1.93 0.00 0.00 178.83 178.61 3mx3 n TYR 79 N -4.23 1.43 -2.72 3.99 4.02 -0.73 -4.89 117.16 114.04 3mx3 n TYR 79 Ca -0.03 -0.63 -0.07 0.00 -0.01 0.00 0.00 57.90 57.16 3mx3 n TYR 79 Cb 0.48 -0.25 0.03 0.00 -0.02 0.00 0.00 39.34 39.58 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 1.00 -2.97 -4.36 7.72 3.02 -0.02 -0.69 115.26 118.96 3mx3 n ASN 80 Ca 0.25 -0.17 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 3mx3 n ASN 80 Cb 0.88 -1.90 -0.12 0.00 -0.61 0.00 0.00 39.78 38.03 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 -3.10 4.20 0.01 2.41 1.01 -0.52 -3.03 120.40 121.38 3mx3 s VAL 81 Ca 0.13 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.40 3mx3 s VAL 81 Cb -0.06 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3mx3 s VAL 81 CO 0.22 -0.02 0.01 -0.36 0.00 0.00 0.00 175.10 174.95 3mx3 s PHE 82 N 1.52 3.08 0.00 5.22 0.40 -1.26 -4.52 117.98 122.42 3mx3 s PHE 82 Ca 0.02 0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.43 3mx3 s PHE 82 Cb -0.18 -1.66 0.00 0.00 0.51 0.00 0.00 43.02 41.69 3mx3 s PHE 82 CO 0.04 0.47 0.00 0.41 0.70 0.00 0.00 175.22 176.84 3mx3 n GLY 83 N 1.28 2.73 3.91 4.36 0.00 -1.26 -4.99 105.19 111.22 3mx3 n GLY 83 Ca -0.14 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.07 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 4.31 3.54 0.00 1.61 0.52 -1.26 -4.64 118.95 123.04 3mx3 s ARG 84 Ca 0.00 -0.26 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 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 -0.00 0.19 -4.39 0.23 2.88 -1.26 -4.97 113.62 106.29 3mx3 n SER 85 Ca -0.04 -0.46 -0.19 0.00 -1.33 0.00 0.00 58.87 56.85 3mx3 n SER 85 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.87 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 -1.36 1.89 -0.12 0.46 0.00 -1.26 -3.40 107.32 103.52 3mx3 s GLY 86 Ca 0.00 -1.96 0.15 0.00 0.00 0.00 0.00 44.72 42.91 3mx3 s GLY 86 CO 0.00 -1.74 1.41 0.69 0.00 0.00 0.00 173.10 173.46 3mx3 n PHE 87 N -0.58 0.91 -0.34 1.90 3.01 -1.26 -4.69 117.46 116.41 3mx3 n PHE 87 Ca -0.02 -0.73 0.27 0.00 1.01 0.00 0.00 57.45 57.97 3mx3 n PHE 87 Cb 0.66 -0.23 0.57 0.00 -0.01 0.00 0.00 39.48 40.47 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 2.18 1.01 1.89 1.37 0.00 -2.02 -1.96 103.07 105.54 3mx3 h GLY 88 Ca 0.00 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.19 3mx3 h GLY 88 CO 0.17 -0.15 0.04 -1.33 0.00 0.00 0.00 176.54 175.27 3mx3 h GLY 89 N 0.28 0.00 2.00 4.60 0.00 -1.94 -2.17 103.07 105.84 3mx3 h GLY 89 Ca 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.93 3mx3 h GLY 89 CO -0.26 0.00 -0.12 -0.97 0.00 0.00 0.00 176.54 175.19 3mx3 h TYR 90 N 0.00 0.00 0.00 5.60 0.05 -1.74 -2.89 116.97 117.99 3mx3 h TYR 90 Ca 0.02 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 3mx3 h TYR 90 Cb 0.10 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 3mx3 h TYR 90 CO 0.00 0.12 -0.01 1.79 -1.05 0.00 0.00 178.16 179.01 3mx3 h THR 91 N 0.00 0.18 0.00 -2.88 1.35 -1.58 -1.99 112.91 108.00 3mx3 h THR 91 Ca -0.00 -0.06 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 3mx3 h THR 91 Cb 0.56 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3mx3 h THR 91 CO 0.02 0.01 -0.09 0.71 -0.25 0.00 0.00 175.52 175.91 3mx3 h THR 92 N 0.00 0.31 -0.40 6.82 1.35 -1.71 -3.30 112.91 115.98 3mx3 h THR 92 Ca -0.00 -0.60 -0.01 0.00 -0.55 0.00 0.00 66.41 65.25 3mx3 h THR 92 Cb 0.05 1.46 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 3mx3 h THR 92 CO 0.00 0.09 0.20 -0.07 -0.25 0.00 0.00 175.52 175.49 3mx3 h LEU 93 N 0.00 0.52 -0.43 3.87 3.38 -1.58 0.15 115.31 121.21 3mx3 h LEU 93 Ca -0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3mx3 h LEU 93 Cb 0.45 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3mx3 h LEU 93 CO 0.01 0.48 0.09 0.40 0.09 0.00 0.00 178.44 179.51 3mx3 h ILE 94 N 0.51 1.24 -0.91 1.22 2.04 -1.76 -1.91 117.51 117.94 3mx3 h ILE 94 Ca 0.14 -0.85 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 3mx3 h ILE 94 Cb 0.10 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 3mx3 h ILE 94 CO -0.02 0.30 0.51 0.78 0.00 0.00 0.00 178.15 179.72 3mx3 h ASN 95 N 0.57 1.12 -0.32 1.72 2.35 -1.60 0.10 115.58 119.53 3mx3 h ASN 95 Ca 0.13 -0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 3mx3 h ASN 95 Cb 0.35 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3mx3 h ASN 95 CO 0.01 0.89 -0.09 0.00 -1.65 0.00 0.00 177.43 176.59 3mx3 h ALA 96 N 1.28 1.07 -0.19 -0.83 0.00 -0.86 -2.91 119.26 116.82 3mx3 h ALA 96 Ca 0.32 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3mx3 h ALA 96 Cb 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3mx3 h ALA 96 CO -0.05 0.57 -0.15 0.37 0.00 0.00 0.00 179.25 179.99 3mx3 h GLN 97 N 0.66 0.45 -1.53 0.00 4.15 -0.82 -2.44 115.11 115.58 3mx3 h GLN 97 Ca 0.12 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.32 3mx3 h GLN 97 Cb 0.54 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.23 3mx3 h GLN 97 CO 0.03 0.78 0.00 1.63 -1.93 0.00 0.00 178.83 179.34 3mx3 n LYS 98 N -4.50 0.00 0.00 1.69 5.02 -0.02 -1.44 118.16 118.90 3mx3 n LYS 98 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3mx3 n LYS 98 Cb 0.37 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 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 0.83 0.00 0.27 -0.18 0.31 -0.92 -1.57 118.33 117.06 3mx3 n VAL 100 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 3mx3 n VAL 100 Cb 0.00 0.00 0.71 0.00 -0.91 0.00 0.00 33.84 33.64 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 0.00 -0.07 5.55 5.08 -1.53 -2.31 114.58 121.30 3mx3 h GLU 101 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mx3 h GLU 101 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3mx3 h GLU 101 CO 0.00 0.03 0.00 0.43 -1.00 0.00 0.00 179.01 178.47 3mx3 n SER 102 N -4.28 0.75 -4.68 1.42 7.64 -0.61 -4.87 113.62 108.99 3mx3 n SER 102 Ca -0.03 -1.51 -0.42 0.00 1.01 0.00 0.00 58.87 57.92 3mx3 n SER 102 Cb 0.11 -0.04 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.92 3.62 -0.86 0.44 1.01 -0.87 -4.53 120.40 117.30 3mx3 s VAL 103 Ca 0.32 0.94 0.09 0.00 0.00 0.00 0.00 61.98 63.33 3mx3 s VAL 103 Cb 0.16 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.94 3mx3 s VAL 103 CO 0.25 -0.03 0.62 -1.54 0.00 0.00 0.00 175.10 174.40 3mx3 n SER 104 N 5.95 1.22 -0.43 3.32 3.41 -1.26 -4.98 113.62 120.84 3mx3 n SER 104 Ca 0.15 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 3mx3 n SER 104 Cb 0.43 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 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 -0.18 0.00 -0.87 4.04 5.68 -1.26 -5.02 116.55 118.94 3mx3 n ASP 105 Ca 0.04 -0.19 0.11 0.00 -0.50 0.00 0.00 54.79 54.25 3mx3 n ASP 105 Cb 0.19 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.45 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 -0.58 2.59 -1.91 -1.12 5.75 -1.26 -4.51 116.55 115.52 3mx3 n ASP 106 Ca 0.00 -1.87 -0.18 0.00 -0.01 0.00 0.00 54.79 52.72 3mx3 n ASP 106 Cb 0.00 -0.19 0.06 0.00 -1.03 0.00 0.00 41.12 39.96 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 0.93 5.82 0.22 -1.12 5.15 -1.26 -4.63 115.26 120.36 3mx3 n ASN 107 Ca 0.18 -3.13 0.10 0.00 -0.60 0.00 0.00 54.58 51.12 3mx3 n ASN 107 Cb 0.47 -0.95 0.65 0.00 -0.53 0.00 0.00 39.78 39.42 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 0.88 0.96 0.00 3.44 3.04 -1.95 -2.68 116.25 119.94 3mx3 h VAL 108 Ca 0.36 -0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 66.02 3mx3 h VAL 108 Cb 1.22 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 31.45 3mx3 h VAL 108 CO 0.85 0.00 -0.15 0.78 -1.01 0.00 0.00 177.57 178.04 3mx3 h ASN 109 N 0.00 0.00 -0.03 3.17 4.21 -1.90 -0.46 115.58 120.57 3mx3 h ASN 109 Ca 0.04 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.55 3mx3 h ASN 109 Cb 0.17 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.37 3mx3 h ASN 109 CO -0.00 0.15 0.01 0.00 -1.29 0.00 0.00 177.43 176.30 3mx3 h ALA 110 N 1.85 0.04 -0.10 -0.83 0.00 -1.73 -0.56 119.26 117.93 3mx3 h ALA 110 Ca -0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 3mx3 h ALA 110 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3mx3 h ALA 110 CO 0.02 -0.38 -0.76 1.88 0.00 0.00 0.00 179.25 180.02 3mx3 h TYR 111 N -0.11 0.74 -0.37 0.00 0.05 -1.57 -1.64 116.97 114.07 3mx3 h TYR 111 Ca 0.01 -0.33 -0.03 0.00 0.05 0.00 0.00 58.73 58.43 3mx3 h TYR 111 Cb 0.16 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 3mx3 h TYR 111 CO -0.02 1.12 0.11 0.22 -1.05 0.00 0.00 178.16 178.53 3mx3 h ASP 112 N 0.37 0.55 -0.54 3.88 1.82 -1.10 0.27 116.42 121.68 3mx3 h ASP 112 Ca -0.04 -0.22 0.09 0.00 -0.39 0.00 0.00 57.03 56.47 3mx3 h ASP 112 Cb 1.35 -0.14 -0.07 0.00 0.68 0.00 0.00 39.33 41.15 3mx3 h ASP 112 CO 0.14 0.62 0.15 1.23 -1.61 0.00 0.00 179.24 179.77 3mx3 h GLY 113 N 0.45 0.70 1.00 -0.78 0.00 -1.01 0.05 103.07 103.48 3mx3 h GLY 113 Ca 0.12 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 3mx3 h GLY 113 CO -0.00 -0.05 0.10 -2.00 0.00 0.00 0.00 176.54 174.59 3mx3 h LEU 114 N 0.30 0.84 -0.65 3.11 5.85 -0.76 -0.38 115.31 123.62 3mx3 h LEU 114 Ca 0.27 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3mx3 h LEU 114 Cb 0.36 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3mx3 h LEU 114 CO -0.32 0.87 0.34 0.00 -0.34 0.00 0.00 178.44 178.99 3mx3 h ALA 115 N 0.99 0.87 -0.35 1.25 0.00 0.11 0.53 119.26 122.66 3mx3 h ALA 115 Ca 0.16 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 3mx3 h ALA 115 Cb 0.38 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3mx3 h ALA 115 CO 0.01 -0.01 -0.40 0.45 0.00 0.00 0.00 179.25 179.30 3mx3 h HIS 116 N 0.62 1.03 -0.23 0.00 3.86 -0.74 -1.04 115.15 118.66 3mx3 h HIS 116 Ca 0.30 -0.31 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 3mx3 h HIS 116 Cb 0.23 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 3mx3 h HIS 116 CO -0.10 1.12 0.04 0.35 0.86 0.00 0.00 177.93 180.20 3mx3 h PHE 117 N 0.70 0.40 -0.58 2.45 3.04 -0.75 -2.11 116.94 120.09 3mx3 h PHE 117 Ca 0.06 -0.06 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 3mx3 h PHE 117 Cb 0.98 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 39.36 3mx3 h PHE 117 CO 0.06 0.51 0.02 0.82 -2.02 0.00 0.00 178.31 177.69 3mx3 h ILE 118 N 0.18 1.26 0.03 1.41 1.08 -0.82 -0.72 117.51 119.94 3mx3 h ILE 118 Ca 0.07 -1.11 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 3mx3 h ILE 118 Cb 0.32 0.84 -0.01 0.00 -3.07 0.00 0.00 36.82 34.90 3mx3 h ILE 118 CO 0.00 0.40 -0.04 0.50 -0.69 0.00 0.00 178.15 178.32 3mx3 h LYS 119 N 0.90 -0.09 -0.91 2.37 3.64 -1.19 0.68 116.57 121.97 3mx3 h LYS 119 Ca 0.17 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3mx3 h LYS 119 Cb 0.53 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.32 3mx3 h LYS 119 CO 0.03 -0.06 0.54 0.00 -2.27 0.00 0.00 179.45 177.68 3mx3 h ALA 120 N 0.87 1.17 0.00 5.00 0.00 -1.21 -1.80 119.26 123.29 3mx3 h ALA 120 Ca 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3mx3 h ALA 120 Cb 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3mx3 h ALA 120 CO -0.02 0.64 -0.00 -0.92 0.00 0.00 0.00 179.25 178.94 3mx3 h TYR 121 N 1.26 -0.00 -0.28 0.00 5.03 -0.80 0.19 116.97 122.36 3mx3 h TYR 121 Ca 0.33 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.63 3mx3 h TYR 121 Cb -0.03 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.24 3mx3 h TYR 121 CO 0.01 0.37 0.17 0.87 -1.32 0.00 0.00 178.16 178.26 3mx3 h LYS 122 N -0.38 0.39 -0.17 1.82 1.79 -0.72 -2.73 116.57 116.56 3mx3 h LYS 122 Ca -0.00 -0.04 -0.17 0.00 -2.18 0.00 0.00 60.65 58.26 3mx3 h LYS 122 Cb 0.38 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.94 3mx3 h LYS 122 CO 0.00 0.31 -0.60 0.82 -1.08 0.00 0.00 179.45 178.90 3mx3 h ILE 123 N 0.36 1.33 -0.30 1.86 2.04 -1.33 -3.05 117.51 118.42 3mx3 h ILE 123 Ca 0.10 -1.87 0.07 0.00 1.00 0.00 0.00 64.86 64.16 3mx3 h ILE 123 Cb 0.02 1.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.87 3mx3 h ILE 123 CO -0.02 0.58 -0.29 0.15 0.00 0.00 0.00 178.15 178.58 3mx3 h PHE 124 N 0.42 -0.78 0.00 1.37 3.57 -0.85 0.82 116.94 121.49 3mx3 h PHE 124 Ca -0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3mx3 h PHE 124 Cb 1.16 0.39 0.00 0.00 2.79 0.00 0.00 35.95 40.28 3mx3 h PHE 124 CO 0.05 -0.36 0.00 0.66 -2.23 0.00 0.00 178.31 176.43 3mx3 n TYR 125 N -5.40 0.00 -0.73 0.41 4.01 -1.04 -4.61 117.16 109.80 3mx3 n TYR 125 Ca -0.00 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 3mx3 n TYR 125 Cb 0.32 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 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 1.01 0.00 0.00 7.72 2.88 0.28 -5.04 113.62 120.47 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 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 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 -0.13 0.00 0.00 -1.46 1.02 -1.26 -4.76 120.64 114.05 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 3.99 3.71 0.62 0.00 -1.26 -0.62 105.19 111.63 3mx3 n GLY 131 Ca 0.00 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 3mx3 n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3mx3 s ASP 132 N 1.56 4.04 -0.10 1.61 1.11 -1.26 -4.75 116.67 118.88 3mx3 s ASP 132 Ca 0.00 2.45 -0.33 0.00 0.18 0.00 0.00 52.55 54.85 3mx3 s ASP 132 Cb 0.00 -2.60 0.13 0.00 1.07 0.00 0.00 42.92 41.52 3mx3 s ASP 132 CO 0.00 -2.37 1.23 -1.48 1.18 0.00 0.00 175.17 173.72 3mx3 s LEU 133 N -5.16 -0.11 0.45 1.23 0.05 -1.03 -4.95 118.68 109.16 3mx3 s LEU 133 Ca 0.76 -0.07 -0.25 0.00 0.05 0.00 0.00 54.13 54.62 3mx3 s LEU 133 Cb -0.32 1.43 -0.08 0.00 -2.05 0.00 0.00 46.19 45.17 3mx3 s LEU 133 CO 0.46 -0.29 1.42 -2.84 -0.55 0.00 0.00 176.35 174.54 3mx3 s PRO 134 N -2.47 3.72 0.00 1.48 0.02 -1.25 -1.33 135.00 135.17 3mx3 s PRO 134 Ca 0.11 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.53 3mx3 s PRO 134 Cb 0.01 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.86 3mx3 s PRO 134 CO -0.04 -0.78 0.00 0.98 -0.33 0.00 0.00 177.00 176.82 3mx3 n TYR 135 N -0.15 0.00 -0.25 6.54 4.19 -1.26 -4.73 117.16 121.49 3mx3 n TYR 135 Ca 0.05 0.00 0.05 0.00 3.31 0.00 0.00 57.90 61.31 3mx3 n TYR 135 Cb 0.42 0.32 0.18 0.00 0.49 0.00 0.00 39.34 40.75 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 -0.67 2.98 5.08 -1.91 -1.59 114.58 118.86 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 -5.04 3.14 0.00 2.33 1.02 -1.26 -4.64 120.64 116.19 3mx3 n GLU 137 Ca 0.14 -2.59 -0.12 0.00 -0.02 0.00 0.00 57.16 54.57 3mx3 n GLU 137 Cb 0.42 -1.72 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 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 4.15 0.06 -0.29 0.62 0.00 -1.57 -0.99 119.26 121.24 3mx3 h ALA 138 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3mx3 h ALA 138 Cb 1.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3mx3 h ALA 138 CO 0.12 -0.35 0.18 1.25 0.00 0.00 0.00 179.25 180.45 3mx3 h LEU 139 N -0.11 0.34 -1.09 0.00 5.85 -1.82 -1.43 115.31 117.04 3mx3 h LEU 139 Ca 0.01 -0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.83 3mx3 h LEU 139 Cb 0.18 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 3mx3 h LEU 139 CO -0.00 0.27 0.61 1.56 -0.34 0.00 0.00 178.44 180.55 3mx3 h GLN 140 N 0.37 0.88 -0.58 1.25 1.08 -1.86 -0.70 115.11 115.56 3mx3 h GLN 140 Ca 0.10 -0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 3mx3 h GLN 140 Cb -0.01 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 3mx3 h GLN 140 CO -0.02 0.58 0.17 0.78 -0.95 0.00 0.00 178.83 179.39 3mx3 h GLY 141 N 0.91 0.99 1.66 3.46 0.00 -0.58 -1.08 103.07 108.41 3mx3 h GLY 141 Ca 0.48 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 3mx3 h GLY 141 CO -0.25 0.56 -0.27 0.83 0.00 0.00 0.00 176.54 177.42 3mx3 h GLU 142 N 0.83 0.40 0.00 4.80 4.39 -0.10 -1.88 114.58 123.02 3mx3 h GLU 142 Ca 0.19 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3mx3 h GLU 142 Cb 0.31 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3mx3 h GLU 142 CO -0.00 0.64 0.00 1.28 -1.16 0.00 0.00 179.01 179.77 3mx3 n LEU 143 N -4.12 0.00 -0.20 1.33 4.77 -0.76 -4.91 117.00 113.11 3mx3 n LEU 143 Ca -0.01 0.39 -0.03 0.00 -0.03 0.00 0.00 56.01 56.33 3mx3 n LEU 143 Cb 0.40 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3mx3 n LEU 143 CO 0.41 -0.04 -0.02 0.61 -1.33 0.00 0.00 177.39 177.02 3mx3 n GLY 144 N 1.10 0.59 0.15 -0.72 0.00 -0.71 -4.94 105.19 100.66 3mx3 n GLY 144 Ca 0.10 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.40 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 -7.37 0.99 3.38 -1.44 -3.48 115.31 107.40 3mx3 h LEU 145 Ca -0.05 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3mx3 h LEU 145 Cb 0.18 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.79 3mx3 h LEU 145 CO 0.08 0.01 -0.07 0.68 0.09 0.00 0.00 178.44 179.23 3mx3 s VAL 146 N -3.22 0.06 -0.47 1.22 -7.23 -1.22 -5.00 120.40 104.55 3mx3 s VAL 146 Ca 0.06 -0.49 -0.25 0.00 -1.81 0.00 0.00 61.98 59.48 3mx3 s VAL 146 Cb 0.08 -1.07 0.03 0.00 0.56 0.00 0.00 36.38 35.99 3mx3 s VAL 146 CO 0.69 -0.27 0.93 -0.13 -0.31 0.00 0.00 175.10 176.00 3mx3 s ARG 147 N -3.19 3.51 0.23 4.82 0.52 -1.26 -4.19 118.95 119.39 3mx3 s ARG 147 Ca -0.01 0.13 -0.30 0.00 -0.52 0.00 0.00 55.73 55.03 3mx3 s ARG 147 Cb 0.01 -3.94 -0.09 0.00 0.52 0.00 0.00 34.95 31.45 3mx3 s ARG 147 CO -0.08 -1.25 0.99 -1.25 0.02 0.00 0.00 175.30 173.74 3mx3 s PRO 148 N 3.77 4.78 0.56 3.54 0.04 -1.26 -5.00 135.00 141.42 3mx3 s PRO 148 Ca 0.37 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.80 3mx3 s PRO 148 Cb -0.10 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 3mx3 s PRO 148 CO 0.26 0.39 1.11 -1.59 0.04 0.00 0.00 177.00 177.20 3mx3 s LYS 149 N -1.07 3.33 -0.16 4.56 -2.85 -1.26 -4.87 119.74 117.41 3mx3 s LYS 149 Ca 0.43 1.51 -0.22 0.00 -1.00 0.00 0.00 55.97 56.68 3mx3 s LYS 149 Cb -0.27 -2.01 -0.03 0.00 -2.06 0.00 0.00 37.83 33.46 3mx3 s LYS 149 CO 0.34 -0.85 0.68 0.71 0.10 0.00 0.00 175.35 176.34 3mx3 s TYR 150 N -1.95 3.43 0.50 1.78 1.51 -1.26 -3.97 117.35 117.39 3mx3 s TYR 150 Ca 0.70 1.06 -0.19 0.00 -1.01 0.00 0.00 57.07 57.64 3mx3 s TYR 150 Cb -0.22 -2.84 -0.08 0.00 -0.11 0.00 0.00 41.96 38.71 3mx3 s TYR 150 CO 0.29 -0.12 1.01 -0.80 -1.11 0.00 0.00 175.55 174.82 3mx3 s ASN 151 N 1.08 6.44 0.60 2.29 -0.87 -0.44 -4.84 114.94 119.20 3mx3 s ASN 151 Ca 0.32 1.78 -0.18 0.00 -1.57 0.00 0.00 52.86 53.22 3mx3 s ASN 151 Cb -0.16 -2.54 -0.03 0.00 -0.02 0.00 0.00 41.25 38.49 3mx3 s ASN 151 CO 0.12 -0.71 1.17 0.42 -2.57 0.00 0.00 177.10 175.53 3mx3 s THR 152 N -2.24 2.87 0.30 1.60 -4.23 -1.26 -2.46 115.64 110.22 3mx3 s THR 152 Ca 0.64 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 3mx3 s THR 152 Cb -0.13 -3.16 0.28 0.00 1.34 0.00 0.00 72.50 70.83 3mx3 s THR 152 CO 0.23 -0.15 1.92 -0.61 -0.54 0.00 0.00 174.62 175.48 3mx3 h GLN 153 N 0.78 1.02 -0.47 3.99 4.15 -1.93 -0.29 115.11 122.37 3mx3 h GLN 153 Ca -0.50 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 58.94 3mx3 h GLN 153 Cb 1.28 -0.23 -0.06 0.00 0.21 0.00 0.00 27.48 28.68 3mx3 h GLN 153 CO 0.55 0.67 0.11 -0.22 -1.93 0.00 0.00 178.83 178.02 3mx3 h LYS 154 N 1.05 0.25 -0.78 1.69 3.64 -1.98 -2.60 116.57 117.84 3mx3 h LYS 154 Ca 0.38 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 3mx3 h LYS 154 Cb 0.14 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 3mx3 h LYS 154 CO -0.13 0.16 0.39 0.93 -2.27 0.00 0.00 179.45 178.53 3mx3 h GLU 155 N 0.25 1.11 -0.01 1.90 5.08 -1.47 -1.47 114.58 119.97 3mx3 h GLU 155 Ca 0.23 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3mx3 h GLU 155 Cb 0.28 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3mx3 h GLU 155 CO -0.28 0.86 0.00 0.28 -1.00 0.00 0.00 179.01 178.86 3mx3 n VAL 156 N -4.38 0.00 0.00 3.13 0.31 -0.37 -0.86 118.33 116.16 3mx3 n VAL 156 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3mx3 n VAL 156 Cb 0.13 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3mx3 n VAL 156 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3mx3 n ASN 158 N 0.26 0.00 -0.06 4.52 2.85 -0.56 -0.57 115.26 121.70 3mx3 n ASN 158 Ca 0.00 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.41 3mx3 n ASN 158 Cb 0.00 0.00 0.13 0.00 1.24 0.00 0.00 39.78 41.15 3mx3 n ASN 158 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 3mx3 h PHE 159 N 0.00 0.78 0.09 1.20 0.04 -1.27 -1.49 116.94 116.29 3mx3 h PHE 159 Ca 0.00 -0.17 -0.00 0.00 2.80 0.00 0.00 57.97 60.60 3mx3 h PHE 159 Cb 0.00 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 37.96 3mx3 h PHE 159 CO 0.00 0.85 -0.04 0.82 -0.60 0.00 0.00 178.31 179.34 3mx3 h ILE 160 N 0.61 0.98 -0.98 -0.55 2.04 -1.10 0.48 117.51 118.99 3mx3 h ILE 160 Ca 0.09 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3mx3 h ILE 160 Cb 0.69 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 3mx3 h ILE 160 CO 0.05 0.05 0.63 -0.07 0.00 0.00 0.00 178.15 178.81 3mx3 h LEU 161 N -0.21 1.15 -0.77 1.44 3.38 -1.80 -0.69 115.31 117.80 3mx3 h LEU 161 Ca -0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3mx3 h LEU 161 Cb 0.18 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3mx3 h LEU 161 CO 0.02 0.85 0.28 0.28 0.09 0.00 0.00 178.44 179.96 3mx3 h SER 162 N 1.34 1.09 0.51 -0.43 0.02 -1.03 -1.82 113.55 113.23 3mx3 h SER 162 Ca 0.36 -0.19 -0.13 0.00 -0.84 0.00 0.00 61.79 60.99 3mx3 h SER 162 Cb -0.12 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.13 3mx3 h SER 162 CO -0.07 0.98 -0.59 0.44 -1.14 0.00 0.00 176.83 176.45 3mx3 h ASP 163 N 1.13 0.10 -0.25 3.07 3.32 0.12 -1.67 116.42 122.25 3mx3 h ASP 163 Ca 0.25 -0.05 -0.19 0.00 0.02 0.00 0.00 57.03 57.06 3mx3 h ASP 163 Cb 0.25 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.78 3mx3 h ASP 163 CO -0.02 0.67 -0.56 -0.07 -1.72 0.00 0.00 179.24 177.54 3mx3 h LEU 164 N 0.06 0.94 -0.52 1.55 3.38 -1.03 -0.10 115.31 119.60 3mx3 h LEU 164 Ca -0.01 -0.51 0.07 0.00 0.09 0.00 0.00 57.88 57.52 3mx3 h LEU 164 Cb 1.06 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 3mx3 h LEU 164 CO 0.08 1.31 0.19 -0.33 0.09 0.00 0.00 178.44 179.78 3mx3 h GLU 165 N 0.64 0.36 -0.57 1.13 5.08 -1.08 0.18 114.58 120.32 3mx3 h GLU 165 Ca 0.01 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3mx3 h GLU 165 Cb 1.17 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3mx3 h GLU 165 CO 0.12 0.24 0.08 1.15 -1.00 0.00 0.00 179.01 179.60 3mx3 h THR 166 N 0.37 1.26 -0.15 1.13 2.02 -1.10 -1.85 112.91 114.59 3mx3 h THR 166 Ca 0.25 -1.00 0.03 0.00 0.77 0.00 0.00 66.41 66.46 3mx3 h THR 166 Cb 0.28 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3mx3 h THR 166 CO -0.26 0.36 -0.01 0.00 0.37 0.00 0.00 175.52 175.98 3mx3 h ALA 167 N 1.00 0.12 -0.49 6.16 0.00 -0.57 0.17 119.26 125.64 3mx3 h ALA 167 Ca 0.17 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3mx3 h ALA 167 Cb 0.43 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3mx3 h ALA 167 CO 0.01 -0.46 0.20 -0.92 0.00 0.00 0.00 179.25 178.08 3mx3 h TYR 168 N 0.03 0.35 -0.52 0.00 3.20 -0.41 -0.31 116.97 119.32 3mx3 h TYR 168 Ca 0.07 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.85 3mx3 h TYR 168 Cb 0.09 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3mx3 h TYR 168 CO -0.16 0.13 -0.14 0.93 -1.64 0.00 0.00 178.16 177.29 3mx3 h GLU 169 N 0.39 1.00 0.56 1.82 4.39 -0.86 -1.22 114.58 120.65 3mx3 h GLU 169 Ca 0.23 -0.38 -0.03 0.00 0.34 0.00 0.00 59.36 59.53 3mx3 h GLU 169 Cb 0.22 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3mx3 h GLU 169 CO -0.22 1.06 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.33 3mx3 h LEU 170 N 0.88 -0.71 -0.66 1.33 3.38 -0.72 -2.61 115.31 116.21 3mx3 h LEU 170 Ca 0.13 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.20 3mx3 h LEU 170 Cb 0.70 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 3mx3 h LEU 170 CO 0.05 -0.48 0.36 -0.26 0.09 0.00 0.00 178.44 178.20 3mx3 h PHE 171 N -0.79 0.66 -0.20 1.13 0.04 -1.05 -2.22 116.94 114.51 3mx3 h PHE 171 Ca -0.07 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.78 3mx3 h PHE 171 Cb 0.62 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3mx3 h PHE 171 CO -0.05 0.30 0.17 0.77 -0.60 0.00 0.00 178.31 178.90 3mx3 h SER 172 N 0.66 0.00 -0.53 2.17 0.02 -1.08 -1.46 113.55 113.32 3mx3 h SER 172 Ca 0.30 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.88 3mx3 h SER 172 Cb 0.21 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 62.49 3mx3 h SER 172 CO -0.19 0.00 -0.44 0.35 -1.14 0.00 0.00 176.83 175.40 3mx3 n THR 173 N -4.21 2.57 -4.56 -2.27 -2.24 -0.85 -5.02 114.28 97.70 3mx3 n THR 173 Ca 0.02 -3.61 -0.26 0.00 -2.27 0.00 0.00 64.05 57.93 3mx3 n THR 173 Cb 0.30 -0.79 -0.09 0.00 -2.10 0.00 0.00 70.33 67.65 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 -3.48 3.07 0.31 6.98 0.00 -0.55 -4.93 121.76 123.16 3mx3 s ALA 174 Ca 0.48 -1.37 0.09 0.00 0.00 0.00 0.00 51.96 51.17 3mx3 s ALA 174 Cb 0.41 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 3mx3 s ALA 174 CO 0.00 -0.24 0.07 0.15 0.00 0.00 0.00 175.76 175.75 3mx3 s LYS 175 N -3.80 2.33 0.66 0.00 1.02 -1.26 -4.98 119.74 113.72 3mx3 s LYS 175 Ca 0.24 -1.50 -0.17 0.00 0.02 0.00 0.00 55.97 54.56 3mx3 s LYS 175 Cb 0.05 -2.16 -0.01 0.00 -0.52 0.00 0.00 37.83 35.19 3mx3 s LYS 175 CO 0.12 0.22 1.20 -0.25 -0.92 0.00 0.00 175.35 175.72 3mx3 n ASP 176 N -1.03 1.61 -4.27 2.83 9.92 -1.26 -4.75 116.55 119.59 3mx3 n ASP 176 Ca -0.05 0.79 -0.15 0.00 -0.53 0.00 0.00 54.79 54.86 3mx3 n ASP 176 Cb 0.60 -1.51 -0.10 0.00 -0.64 0.00 0.00 41.12 39.47 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 -1.50 1.35 0.14 1.24 -0.71 -0.75 -5.04 117.98 112.70 3mx3 s PHE 177 Ca 0.80 -1.10 0.00 0.00 -1.04 0.00 0.00 56.93 55.59 3mx3 s PHE 177 Cb -0.38 -0.77 -0.04 0.00 -1.21 0.00 0.00 43.02 40.62 3mx3 s PHE 177 CO 0.43 -0.28 0.30 -0.51 -1.34 0.00 0.00 175.22 173.82 3mx3 s ASP 178 N -3.23 6.37 0.00 1.98 1.01 -1.26 -4.10 116.67 117.44 3mx3 s ASP 178 Ca 0.30 0.30 0.00 0.00 0.71 0.00 0.00 52.55 53.87 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 0.08 0.06 0.00 0.61 0.21 0.00 0.00 175.17 176.13 3mx3 n GLY 179 N -0.29 0.88 3.20 0.21 0.00 -1.26 -4.50 105.19 103.43 3mx3 n GLY 179 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.24 5.57 0.00 1.61 2.15 -1.26 -2.17 116.67 120.32 3mx3 s ASP 180 Ca 0.00 -1.83 0.25 0.00 0.43 0.00 0.00 52.55 51.40 3mx3 s ASP 180 Cb 0.00 -1.96 1.28 0.00 -0.30 0.00 0.00 42.92 41.94 3mx3 s ASP 180 CO 0.00 -0.62 1.85 -0.81 -0.17 0.00 0.00 175.17 175.43 3mx3 n PRO 181 N 4.83 1.27 -0.12 4.34 -0.04 -1.26 -2.23 135.00 141.78 3mx3 n PRO 181 Ca -0.07 -0.39 -0.25 0.00 -0.04 0.00 0.00 63.50 62.75 3mx3 n PRO 181 Cb 0.41 -1.41 -0.09 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.46 1.33 -0.29 0.52 2.08 -1.26 -4.67 119.36 116.62 3mx3 n ILE 182 Ca 0.18 -0.36 0.04 0.00 0.56 0.00 0.00 62.75 63.17 3mx3 n ILE 182 Cb 0.18 -1.76 0.10 0.00 -0.75 0.00 0.00 39.64 37.42 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 -3.96 2.59 0.00 1.39 4.77 -1.26 -4.77 117.00 115.76 3mx3 n LEU 183 Ca -0.47 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 3mx3 n LEU 183 Cb 0.85 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3mx3 n LEU 183 CO 0.05 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3mx3 n GLY 184 N -0.21 0.43 2.31 -0.72 0.00 -0.95 -2.24 105.19 103.80 3mx3 n GLY 184 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.73 1.11 3.64 -0.02 0.00 -1.24 -4.74 105.19 102.21 3mx3 n GLY 185 Ca 0.00 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.84 6.91 0.23 1.61 0.15 -0.95 -1.81 113.70 117.00 3mx3 s SER 186 Ca 0.00 1.07 -0.06 0.00 0.70 0.00 0.00 55.95 57.66 3mx3 s SER 186 Cb 0.00 -2.50 0.32 0.00 -1.71 0.00 0.00 66.02 62.14 3mx3 s SER 186 CO 0.00 -0.70 1.83 0.40 1.20 0.00 0.00 173.24 175.97 3mx3 h ILE 187 N 5.57 0.99 -0.79 6.45 1.08 -1.90 -0.04 117.51 128.87 3mx3 h ILE 187 Ca -0.21 -0.29 0.02 0.00 -0.39 0.00 0.00 64.86 63.99 3mx3 h ILE 187 Cb 1.07 0.06 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 3mx3 h ILE 187 CO 0.96 0.16 0.52 -1.28 -0.69 0.00 0.00 178.15 177.81 3mx3 h SER 188 N 0.86 0.86 0.02 1.72 0.87 -1.94 0.63 113.55 116.57 3mx3 h SER 188 Ca 0.36 -0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.72 3mx3 h SER 188 Cb 0.22 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3mx3 h SER 188 CO -0.19 0.61 -0.64 0.11 -0.53 0.00 0.00 176.83 176.19 3mx3 h LYS 189 N 1.01 0.60 -0.14 2.24 1.79 -1.55 -2.88 116.57 117.64 3mx3 h LYS 189 Ca 0.30 -0.43 -0.15 0.00 -2.18 0.00 0.00 60.65 58.20 3mx3 h LYS 189 Cb -0.03 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 3mx3 h LYS 189 CO -0.08 1.05 -0.54 -1.49 -1.08 0.00 0.00 179.45 177.31 3mx3 h TRP 190 N 0.44 0.52 -0.69 -1.35 4.06 -0.14 0.37 115.95 119.15 3mx3 h TRP 190 Ca -0.01 -0.18 -0.02 0.00 2.06 0.00 0.00 58.89 60.74 3mx3 h TRP 190 Cb 1.22 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 29.24 3mx3 h TRP 190 CO 0.06 0.86 0.36 0.87 -3.56 0.00 0.00 178.44 177.02 3mx3 h LYS 191 N 0.32 0.99 -0.16 0.49 1.57 -0.93 -1.11 116.57 117.74 3mx3 h LYS 191 Ca 0.01 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 3mx3 h LYS 191 Cb 1.05 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 3mx3 h LYS 191 CO 0.09 0.76 0.07 0.87 -0.57 0.00 0.00 179.45 180.68 3mx3 h LYS 192 N 0.96 0.23 -0.98 3.15 1.57 -1.26 -1.89 116.57 118.34 3mx3 h LYS 192 Ca 0.24 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.07 3mx3 h LYS 192 Cb 0.08 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.28 3mx3 h LYS 192 CO -0.03 0.28 0.63 0.00 -0.57 0.00 0.00 179.45 179.76 3mx3 h ALA 193 N 0.94 1.47 -0.05 3.86 0.00 -0.79 0.36 119.26 125.04 3mx3 h ALA 193 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3mx3 h ALA 193 Cb 0.13 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3mx3 h ALA 193 CO -0.01 0.36 -0.02 1.15 0.00 0.00 0.00 179.25 180.73 3mx3 h THR 194 N 1.09 1.31 -0.31 0.00 2.02 -1.06 -1.62 112.91 114.35 3mx3 h THR 194 Ca 0.44 -0.99 0.04 0.00 0.77 0.00 0.00 66.41 66.68 3mx3 h THR 194 Cb 0.27 1.87 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 3mx3 h THR 194 CO -0.19 0.27 0.06 0.74 0.37 0.00 0.00 175.52 176.77 3mx3 h THR 195 N -0.26 0.85 -0.96 3.16 2.02 -1.15 -0.19 112.91 116.39 3mx3 h THR 195 Ca 0.01 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.16 3mx3 h THR 195 Cb 0.44 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 3mx3 h THR 195 CO 0.01 0.03 0.63 0.00 0.37 0.00 0.00 175.52 176.56 3mx3 h ALA 196 N 1.23 1.26 -0.15 6.16 0.00 -0.83 -1.24 119.26 125.69 3mx3 h ALA 196 Ca 0.14 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.81 3mx3 h ALA 196 Cb 0.15 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3mx3 h ALA 196 CO -0.19 0.53 -0.70 0.35 0.00 0.00 0.00 179.25 179.24 3mx3 h PHE 197 N 1.23 0.82 -0.70 0.00 3.57 -0.71 -1.95 116.94 119.20 3mx3 h PHE 197 Ca 0.38 -0.34 0.05 0.00 3.53 0.00 0.00 57.97 61.58 3mx3 h PHE 197 Cb -0.03 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.52 3mx3 h PHE 197 CO -0.01 1.13 0.42 1.96 -2.23 0.00 0.00 178.31 179.58 3mx3 h GLN 198 N 0.44 0.76 -0.30 1.11 4.20 -0.46 0.57 115.11 121.42 3mx3 h GLN 198 Ca -0.03 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 3mx3 h GLN 198 Cb 1.29 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 3mx3 h GLN 198 CO 0.13 0.50 -0.30 -0.07 -0.67 0.00 0.00 178.83 178.43 3mx3 h LEU 199 N 0.78 0.63 0.23 1.46 3.38 -1.09 -1.35 115.31 119.36 3mx3 h LEU 199 Ca 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3mx3 h LEU 199 Cb 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3mx3 h LEU 199 CO -0.16 0.89 -0.11 0.50 0.09 0.00 0.00 178.44 179.66 3mx3 h LYS 200 N 0.53 -0.30 -0.41 1.13 3.64 -0.84 -3.06 116.57 117.26 3mx3 h LYS 200 Ca 0.07 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.55 3mx3 h LYS 200 Cb 0.78 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.58 3mx3 h LYS 200 CO 0.06 -0.00 -0.12 0.28 -2.27 0.00 0.00 179.45 177.40 3mx3 h VAL 201 N -0.60 0.56 0.00 2.00 2.07 -0.86 0.38 116.25 119.80 3mx3 h VAL 201 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3mx3 h VAL 201 Cb 0.43 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3mx3 h VAL 201 CO 0.05 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.82 3mx3 n LEU 202 N -5.33 0.43 0.00 2.57 4.77 -0.51 -2.18 117.00 116.75 3mx3 n LEU 202 Ca 0.02 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3mx3 n LEU 202 Cb 0.24 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3mx3 n LEU 202 CO 0.14 0.07 0.00 1.41 -1.33 0.00 0.00 177.39 177.68 3mx3 n HIS 204 N 0.91 0.00 -0.54 -1.77 8.25 0.12 -3.58 115.22 118.60 3mx3 n HIS 204 Ca 0.00 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.52 3mx3 n HIS 204 Cb 0.07 -0.08 0.33 0.00 1.12 0.00 0.00 29.99 31.43 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 4.86 -0.12 2.41 4.77 -0.93 -4.66 117.00 123.32 3mx3 n LEU 205 Ca 0.00 -2.46 0.04 0.00 -0.03 0.00 0.00 56.01 53.55 3mx3 n LEU 205 Cb 0.00 -0.64 0.35 0.00 -2.33 0.00 0.00 43.42 40.79 3mx3 n LEU 205 CO 0.00 0.58 1.20 0.77 -1.33 0.00 0.00 177.39 178.61 3mx3 h SER 206 N 3.33 0.65 0.87 -1.43 4.64 -1.89 0.17 113.55 119.90 3mx3 h SER 206 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3mx3 h SER 206 Cb 1.69 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 3mx3 h SER 206 CO 0.39 0.46 0.00 0.11 -0.87 0.00 0.00 176.83 176.92 3mx3 h LYS 207 N 0.76 0.00 -0.70 4.77 1.57 -1.83 -2.17 116.57 118.98 3mx3 h LYS 207 Ca 0.24 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.85 3mx3 h LYS 207 Cb 0.01 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.22 3mx3 h LYS 207 CO -0.06 0.00 0.21 1.63 -0.57 0.00 0.00 179.45 180.66 3mx3 n LYS 208 N -2.51 3.93 0.02 3.15 4.76 0.58 -4.61 118.16 123.47 3mx3 n LYS 208 Ca 0.02 -3.11 0.13 0.00 -2.87 0.00 0.00 58.31 52.48 3mx3 n LYS 208 Cb 0.27 -2.22 0.58 0.00 -1.84 0.00 0.00 35.03 31.82 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 2.89 0.20 0.00 1.97 -0.00 -1.38 -2.11 114.58 116.15 3mx3 h GLU 209 Ca 0.21 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.56 3mx3 h GLU 209 Cb 2.25 -0.05 0.00 0.00 -0.00 0.00 0.00 28.75 30.95 3mx3 h GLU 209 CO 0.68 0.13 0.00 0.43 -0.00 0.00 0.00 179.01 180.26 3mx3 n SER 210 N -4.46 0.80 -4.65 3.06 7.64 -1.26 -4.67 113.62 110.08 3mx3 n SER 210 Ca 0.07 0.59 -0.42 0.00 1.01 0.00 0.00 58.87 60.11 3mx3 n SER 210 Cb 0.36 -0.80 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 3mx3 n SER 210 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3mx3 n ASP 211 N -2.26 3.99 0.26 6.43 -0.08 -0.80 -4.86 116.55 119.23 3mx3 n ASP 211 Ca 0.05 0.76 0.11 0.00 -1.51 0.00 0.00 54.79 54.21 3mx3 n ASP 211 Cb 0.41 -1.53 0.71 0.00 2.34 0.00 0.00 41.12 43.05 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 11.52 1.42 0.14 -1.67 0.00 -1.90 -3.16 119.26 125.60 3mx3 h ALA 212 Ca -0.48 -0.10 -0.36 0.00 0.00 0.00 0.00 54.91 53.97 3mx3 h ALA 212 Cb 1.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3mx3 h ALA 212 CO 0.94 0.14 -1.93 -0.44 0.00 0.00 0.00 179.25 177.96 3mx3 h ASP 213 N 0.00 0.45 1.08 0.00 3.32 -1.97 -3.38 116.42 115.91 3mx3 h ASP 213 Ca -0.00 -0.92 -0.09 0.00 0.02 0.00 0.00 57.03 56.04 3mx3 h ASP 213 Cb 0.27 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3mx3 h ASP 213 CO 0.01 1.82 -0.42 -0.07 -1.72 0.00 0.00 179.24 178.86 3mx3 h LEU 214 N 0.08 0.00 -1.76 1.55 3.38 -1.92 -3.47 115.31 113.16 3mx3 h LEU 214 Ca -0.40 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.08 3mx3 h LEU 214 Cb 2.05 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.76 3mx3 h LEU 214 CO 0.11 0.42 -0.86 0.29 0.09 0.00 0.00 178.44 178.49 3mx3 n LYS 215 N -3.41 -3.78 0.09 1.13 5.02 -1.20 -4.85 118.16 111.17 3mx3 n LYS 215 Ca 0.01 0.46 -0.13 0.00 -2.02 0.00 0.00 58.31 56.63 3mx3 n LYS 215 Cb 0.59 -4.77 -0.07 0.00 -0.02 0.00 0.00 35.03 30.76 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 -1.83 0.89 -0.53 -0.18 2.07 -1.83 -1.28 116.25 113.55 3mx3 h VAL 216 Ca -0.62 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3mx3 h VAL 216 Cb 1.37 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 3mx3 h VAL 216 CO 0.62 0.00 0.28 0.11 0.02 0.00 0.00 177.57 178.60 3mx3 h LYS 217 N -0.15 0.75 -0.31 1.57 1.57 -1.89 -0.70 116.57 117.42 3mx3 h LYS 217 Ca -0.01 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 3mx3 h LYS 217 Cb 0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3mx3 h LYS 217 CO 0.02 0.60 -0.01 1.49 -0.57 0.00 0.00 179.45 180.99 3mx3 h GLU 218 N 0.71 0.55 -0.45 3.15 4.81 -1.89 -2.04 114.58 119.43 3mx3 h GLU 218 Ca 0.19 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3mx3 h GLU 218 Cb 0.08 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 3mx3 h GLU 218 CO -0.03 0.69 0.27 0.00 -0.73 0.00 0.00 179.01 179.22 3mx3 h ARG 219 N 0.35 0.54 -0.28 1.92 3.08 -1.15 -1.16 114.38 117.68 3mx3 h ARG 219 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3mx3 h ARG 219 Cb 0.45 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3mx3 h ARG 219 CO 0.02 0.36 0.18 0.35 -1.07 0.00 0.00 179.97 179.81 3mx3 h PHE 220 N 0.56 0.34 -0.70 3.04 3.04 -1.05 -1.66 116.94 120.51 3mx3 h PHE 220 Ca 0.17 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 3mx3 h PHE 220 Cb -0.01 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.35 3mx3 h PHE 220 CO -0.06 0.21 0.26 0.00 -2.02 0.00 0.00 178.31 176.70 3mx3 h ALA 221 N 1.11 1.14 -0.40 2.41 0.00 -1.22 -1.47 119.26 120.83 3mx3 h ALA 221 Ca 0.10 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3mx3 h ALA 221 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3mx3 h ALA 221 CO -0.03 0.61 -0.20 0.00 0.00 0.00 0.00 179.25 179.63 3mx3 h ARG 222 N 1.02 0.77 -0.37 0.00 -0.00 -1.01 -1.42 114.38 113.38 3mx3 h ARG 222 Ca 0.23 -0.30 -0.06 0.00 -0.50 0.00 0.00 59.98 59.36 3mx3 h ARG 222 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.14 3mx3 h ARG 222 CO -0.02 0.91 0.02 0.82 0.00 0.00 0.00 179.97 181.70 3mx3 h ILE 223 N 0.68 1.25 -0.45 2.04 2.04 -1.09 0.32 117.51 122.31 3mx3 h ILE 223 Ca 0.10 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3mx3 h ILE 223 Cb 0.71 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 3mx3 h ILE 223 CO 0.05 0.32 0.29 0.58 0.00 0.00 0.00 178.15 179.40 3mx3 h VAL 224 N 0.46 1.12 0.03 1.67 2.07 -1.06 0.51 116.25 121.04 3mx3 h VAL 224 Ca 0.11 -0.22 -0.26 0.00 0.82 0.00 0.00 66.70 67.15 3mx3 h VAL 224 Cb 0.44 0.46 0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3mx3 h VAL 224 CO 0.02 0.11 -1.06 0.00 0.02 0.00 0.00 177.57 176.66 3mx3 h ALA 225 N 1.72 0.18 0.00 1.67 0.00 -0.92 -3.40 119.26 118.51 3mx3 h ALA 225 Ca 0.16 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3mx3 h ALA 225 Cb -0.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3mx3 h ALA 225 CO -0.03 0.75 -1.04 -1.13 0.00 0.00 0.00 179.25 177.79 3mx3 n SER 226 N -3.79 1.96 -1.80 0.00 3.41 0.11 -5.05 113.62 108.45 3mx3 n SER 226 Ca -0.10 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 3mx3 n SER 226 Cb 0.89 1.26 0.00 0.00 -0.26 0.00 0.00 64.21 66.11 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 1.69 0.38 3.14 5.00 0.00 0.18 -5.02 105.19 110.56 3mx3 n GLY 227 Ca -0.00 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 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 5.41 0.00 1.61 0.01 -1.26 -4.99 113.70 113.48 3mx3 s SER 228 Ca 0.00 -2.18 0.00 0.00 1.31 0.00 0.00 55.95 55.08 3mx3 s SER 228 Cb 0.00 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.34 3mx3 s SER 228 CO 0.00 -0.55 0.00 0.18 0.41 0.00 0.00 173.24 173.28 3mx3 n LEU 229 N 4.44 0.00 0.00 2.44 4.77 -1.26 -4.18 117.00 123.22 3mx3 n LEU 229 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3mx3 n LEU 229 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3mx3 n LEU 229 CO 0.36 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.80 3mx3 n GLU 231 N 0.00 0.43 -3.83 3.23 1.02 -1.26 -4.97 120.64 115.27 3mx3 n GLU 231 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 3mx3 n GLU 231 Cb 0.00 -0.07 0.02 0.00 -0.02 0.00 0.00 31.44 31.37 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 -0.49 -0.01 0.64 1.62 1.04 -1.26 -5.00 113.70 110.25 3mx3 s SER 232 Ca 0.00 -1.01 0.31 0.00 0.48 0.00 0.00 55.95 55.74 3mx3 s SER 232 Cb 0.00 0.76 1.72 0.00 0.10 0.00 0.00 66.02 68.60 3mx3 s SER 232 CO 0.00 -1.50 2.01 0.78 0.98 0.00 0.00 173.24 175.51 3mx3 h ASN 233 N 2.00 0.00 0.32 7.02 2.35 -1.95 -1.37 115.58 123.96 3mx3 h ASN 233 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 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 0.39 0.00 0.00 -0.33 -1.65 0.00 0.00 177.43 175.84 3mx3 h GLU 234 N 0.00 0.00 -0.00 0.81 4.39 -2.02 -2.45 114.58 115.30 3mx3 h GLU 234 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3mx3 h GLU 234 Cb 0.63 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 3mx3 h GLU 234 CO -0.00 0.00 -0.19 -0.25 -1.16 0.00 0.00 179.01 177.41 3mx3 n ASP 235 N -2.50 0.57 -4.75 1.42 8.00 -0.51 -4.98 116.55 113.80 3mx3 n ASP 235 Ca -0.00 -0.52 -0.42 0.00 0.71 0.00 0.00 54.79 54.56 3mx3 n ASP 235 Cb 0.13 -0.02 -0.01 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 -1.00 3.56 -4.46 -2.24 3.02 -0.93 -4.87 115.26 108.35 3mx3 n ASN 236 Ca 0.12 1.20 -0.44 0.00 -0.03 0.00 0.00 54.58 55.43 3mx3 n ASN 236 Cb 0.31 -1.58 -0.05 0.00 -0.61 0.00 0.00 39.78 37.85 3mx3 n ASN 236 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3mx3 s LEU 237 N -1.28 4.77 0.00 3.41 0.20 0.25 -4.96 118.68 121.06 3mx3 s LEU 237 Ca 0.58 -0.83 0.00 0.00 0.69 0.00 0.00 54.13 54.56 3mx3 s LEU 237 Cb -0.51 -2.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.73 3mx3 s LEU 237 CO 0.58 -1.02 0.00 0.00 -0.29 0.00 0.00 176.35 175.63 3mx3 n GLN 238 N 6.57 0.00 -3.52 1.98 10.64 -1.26 -0.82 117.38 130.97 3mx3 n GLN 238 Ca -0.05 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 54.99 3mx3 n GLN 238 Cb 0.46 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.79 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 3.96 0.93 0.26 2.61 1.02 -1.26 -4.88 119.74 122.38 3mx3 s LYS 240 Ca 0.00 0.04 0.12 0.00 0.02 0.00 0.00 55.97 56.14 3mx3 s LYS 240 Cb 0.00 0.43 -0.05 0.00 -0.52 0.00 0.00 37.83 37.70 3mx3 s LYS 240 CO 0.00 -0.33 -0.19 0.71 -0.92 0.00 0.00 175.35 174.63 3mx3 s TYR 241 N -1.83 2.34 -0.80 3.18 2.02 -1.26 -4.87 117.35 116.14 3mx3 s TYR 241 Ca -0.04 -0.32 -0.03 0.00 -0.37 0.00 0.00 57.07 56.30 3mx3 s TYR 241 Cb -0.00 -1.05 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 3mx3 s TYR 241 CO 0.01 0.66 0.71 0.00 -1.57 0.00 0.00 175.55 175.37 3mx3 n ALA 242 N -0.45 -2.24 -1.00 3.71 0.00 -1.18 -4.65 120.51 114.70 3mx3 n ALA 242 Ca -0.07 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3mx3 n ALA 242 Cb 0.59 -3.69 0.00 0.00 0.00 0.00 0.00 19.45 16.35 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 -2.50 0.00 -2.40 0.00 0.00 -1.26 -4.92 120.51 109.43 3mx3 n ALA 245 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.00 3mx3 n ALA 245 Cb 0.57 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.29 7.47 -3.87 0.00 0.23 -1.26 -4.95 115.26 112.59 3mx3 n ASN 246 Ca 0.00 -3.61 -0.21 0.00 -0.53 0.00 0.00 54.58 50.24 3mx3 n ASN 246 Cb 0.00 -1.19 -0.09 0.00 -2.08 0.00 0.00 39.78 36.43 3mx3 n ASN 246 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3mx3 s THR 247 N -3.88 0.31 0.06 5.53 -4.23 -1.26 -5.18 115.64 106.98 3mx3 s THR 247 Ca 0.44 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.92 3mx3 s THR 247 Cb 0.23 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.58 3mx3 s THR 247 CO -0.17 0.00 0.03 0.68 -0.54 0.00 0.00 174.62 174.62 3mx3 s VAL 248 N -3.48 0.19 0.38 2.29 -7.23 -1.26 -3.10 120.40 108.19 3mx3 s VAL 248 Ca 0.34 -1.55 -0.25 0.00 -1.81 0.00 0.00 61.98 58.70 3mx3 s VAL 248 Cb 0.04 -1.36 -0.12 0.00 0.56 0.00 0.00 36.38 35.50 3mx3 s VAL 248 CO 0.19 -0.86 0.96 0.00 -0.31 0.00 0.00 175.10 175.09 3mx3 n TYR 249 N 0.20 1.04 0.14 2.82 9.36 -0.36 -4.86 117.16 125.50 3mx3 n TYR 249 Ca -0.15 0.61 0.13 0.00 3.32 0.00 0.00 57.90 61.81 3mx3 n TYR 249 Cb 0.61 -2.21 0.65 0.00 -0.63 0.00 0.00 39.34 37.76 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 1.62 0.02 -0.64 2.98 0.11 -1.90 -1.47 132.00 132.71 3mx3 h PRO 250 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3mx3 h PRO 250 Cb 1.34 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3mx3 h PRO 250 CO 0.58 0.01 0.00 1.19 -0.21 0.00 0.00 178.00 179.57 3mx3 n PHE 251 N -4.47 1.44 -1.79 0.65 3.01 -1.26 -4.53 117.46 110.51 3mx3 n PHE 251 Ca 0.03 -0.61 -0.37 0.00 1.01 0.00 0.00 57.45 57.50 3mx3 n PHE 251 Cb 0.32 -0.23 0.05 0.00 -0.01 0.00 0.00 39.48 39.61 3mx3 n PHE 251 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3mx3 s HIS 252 N -1.81 2.19 0.18 1.38 5.65 -0.56 -4.28 115.29 118.04 3mx3 s HIS 252 Ca 0.51 1.44 0.35 0.00 0.25 0.00 0.00 55.06 57.61 3mx3 s HIS 252 Cb 0.32 -3.72 1.58 0.00 -1.18 0.00 0.00 32.58 29.59 3mx3 s HIS 252 CO 0.25 -2.84 2.04 -2.95 -0.65 0.00 0.00 174.74 170.59 3mx3 h ASN 253 N 0.96 0.00 1.19 9.88 7.08 -1.07 0.41 115.58 134.03 3mx3 h ASN 253 Ca -0.51 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.71 3mx3 h ASN 253 Cb 1.32 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.56 3mx3 h ASN 253 CO 0.55 0.00 0.00 0.71 -2.08 0.00 0.00 177.43 176.61 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 -0.53 -0.17 0.00 -0.55 0.00 0.00 66.41 65.16 3mx3 h THR 254 Cb 0.36 1.46 -0.03 0.00 -1.73 0.00 0.00 68.15 68.21 3mx3 h THR 254 CO 0.00 0.00 -2.10 0.59 -0.25 0.00 0.00 175.52 173.76 3mx3 n ASN 255 N -2.76 0.09 -3.62 5.36 3.02 0.11 -5.03 115.26 112.42 3mx3 n ASN 255 Ca 0.02 0.04 -0.16 0.00 -0.03 0.00 0.00 54.58 54.45 3mx3 n ASN 255 Cb 0.34 1.39 -0.07 0.00 -0.61 0.00 0.00 39.78 40.83 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 -3.02 0.02 -0.78 3.41 -1.32 -1.03 -4.81 115.64 108.10 3mx3 s THR 256 Ca -0.08 -0.17 0.13 0.00 -1.21 0.00 0.00 61.69 60.35 3mx3 s THR 256 Cb 0.10 -0.84 0.38 0.00 -1.51 0.00 0.00 72.50 70.63 3mx3 s THR 256 CO 0.87 -0.09 1.31 2.29 -2.21 0.00 0.00 174.62 176.79 3mx3 n LYS 257 N 1.22 2.92 -0.00 7.08 0.00 -1.26 -4.47 118.16 123.64 3mx3 n LYS 257 Ca -0.19 -2.28 0.05 0.00 -0.00 0.00 0.00 58.31 55.89 3mx3 n LYS 257 Cb 0.57 -1.43 -0.07 0.00 -0.00 0.00 0.00 35.03 34.09 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 0.32 0.00 0.19 5.58 8.25 -1.26 -4.60 115.22 123.70 3mx3 n HIS 258 Ca 0.15 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.71 3mx3 n HIS 258 Cb 0.55 -0.08 0.64 0.00 1.12 0.00 0.00 29.99 32.22 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 1.44 2.09 0.00 -1.41 0.00 -1.89 -0.52 119.26 118.97 3mx3 h ALA 259 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3mx3 h ALA 259 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3mx3 h ALA 259 CO 0.00 -0.12 0.14 0.41 0.00 0.00 0.00 179.25 179.68 3mx3 n GLY 260 N -1.56 -0.65 0.13 0.00 0.00 -1.26 -1.56 105.19 100.29 3mx3 n GLY 260 Ca 0.00 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.28 3mx3 n GLY 260 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mx3 n TYR 261 N -1.96 0.00 -1.33 1.61 4.01 -0.20 -4.98 117.16 114.30 3mx3 n TYR 261 Ca -0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.52 3mx3 n TYR 261 Cb 0.16 -0.19 0.16 0.00 -0.31 0.00 0.00 39.34 39.17 3mx3 n TYR 261 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3mx3 n ALA 262 N -0.94 -1.70 -3.22 -0.72 0.00 -0.60 -1.01 120.51 112.31 3mx3 n ALA 262 Ca 0.13 -1.22 -0.17 0.00 0.00 0.00 0.00 53.44 52.18 3mx3 n ALA 262 Cb 0.30 -0.07 -0.15 0.00 0.00 0.00 0.00 19.45 19.52 3mx3 n ALA 262 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mx3 s LEU 264 N 0.00 1.63 0.68 0.00 1.02 0.02 -4.10 118.68 117.94 3mx3 s LEU 264 Ca 0.53 -0.08 -0.13 0.00 0.02 0.00 0.00 54.13 54.47 3mx3 s LEU 264 Cb -0.03 -0.29 0.01 0.00 0.02 0.00 0.00 46.19 45.90 3mx3 s LEU 264 CO 0.39 -0.01 1.09 -0.55 0.02 0.00 0.00 176.35 177.29 3mx3 s SER 265 N 0.42 5.06 0.00 2.29 0.15 -0.58 -1.18 113.70 119.86 3mx3 s SER 265 Ca -0.05 1.89 0.00 0.00 0.70 0.00 0.00 55.95 58.49 3mx3 s SER 265 Cb -0.08 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.69 3mx3 s SER 265 CO -0.00 -1.66 0.27 0.35 1.20 0.00 0.00 173.24 173.39 3mx3 n THR 266 N -2.73 0.00 0.00 6.45 -2.24 -1.00 -1.50 114.28 113.26 3mx3 n THR 266 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3mx3 n THR 266 Cb 0.53 -1.16 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 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 2.46 0.00 -0.08 3.22 4.77 -1.26 -1.43 117.00 124.68 3mx3 n LEU 268 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 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 0.13 0.00 0.98 0.40 -1.33 0.00 0.00 177.39 177.57 3mx3 h ILE 269 N 0.00 1.04 -0.54 -0.08 1.08 -1.61 -0.90 117.51 116.50 3mx3 h ILE 269 Ca 0.00 -0.12 -0.10 0.00 -0.39 0.00 0.00 64.86 64.25 3mx3 h ILE 269 Cb 0.00 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 3mx3 h ILE 269 CO 0.00 0.06 -0.07 0.44 -0.69 0.00 0.00 178.15 177.90 3mx3 h ASP 270 N 0.35 1.00 -0.62 1.72 5.19 -1.48 -1.04 116.42 121.54 3mx3 h ASP 270 Ca 0.11 -0.33 -0.06 0.00 -0.62 0.00 0.00 57.03 56.12 3mx3 h ASP 270 Cb -0.01 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 39.20 3mx3 h ASP 270 CO -0.05 1.10 0.15 0.11 -3.12 0.00 0.00 179.24 177.43 3mx3 h LYS 271 N 0.88 1.02 -0.27 3.56 1.57 -1.59 -0.82 116.57 120.92 3mx3 h LYS 271 Ca 0.15 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 3mx3 h LYS 271 Cb 0.62 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3mx3 h LYS 271 CO 0.04 0.91 0.02 0.74 -0.57 0.00 0.00 179.45 180.59 3mx3 h PHE 272 N 0.97 0.50 -0.27 -1.35 0.04 -0.88 -2.83 116.94 113.12 3mx3 h PHE 272 Ca 0.20 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 3mx3 h PHE 272 Cb 0.36 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 3mx3 h PHE 272 CO 0.03 0.60 0.15 0.87 -0.60 0.00 0.00 178.31 179.36 3mx3 h LYS 273 N 0.25 0.37 -0.17 1.51 1.57 -1.09 0.81 116.57 119.83 3mx3 h LYS 273 Ca 0.08 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3mx3 h LYS 273 Cb 0.39 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3mx3 h LYS 273 CO 0.01 0.32 0.17 0.00 -0.57 0.00 0.00 179.45 179.38 3mx3 h ALA 274 N 1.04 1.83 -0.11 3.86 0.00 -1.07 -2.57 119.26 122.24 3mx3 h ALA 274 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mx3 h ALA 274 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mx3 h ALA 274 CO -0.02 -0.26 0.00 0.25 0.00 0.00 0.00 179.25 179.22 3mx3 n THR 275 N -3.90 1.21 -3.84 0.00 -2.24 -1.04 -4.99 114.28 99.47 3mx3 n THR 275 Ca 0.01 -1.23 -0.27 0.00 -2.27 0.00 0.00 64.05 60.29 3mx3 n THR 275 Cb 0.30 0.35 0.03 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.36 -0.43 3.46 3.38 0.00 -0.40 -4.92 105.19 105.92 3mx3 n GLY 276 Ca 0.07 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.66 6.25 0.00 1.61 -1.08 0.14 -4.91 116.67 115.02 3mx3 s ASP 277 Ca 0.45 -0.78 0.07 0.00 -0.52 0.00 0.00 52.55 51.76 3mx3 s ASP 277 Cb -0.22 -2.33 0.31 0.00 -1.46 0.00 0.00 42.92 39.22 3mx3 s ASP 277 CO 0.82 -1.01 1.14 2.30 0.52 0.00 0.00 175.17 178.95 3mx3 n ILE 278 N 5.78 1.21 -0.00 4.11 -5.35 -1.26 -4.64 119.36 119.22 3mx3 n ILE 278 Ca -0.04 0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.74 3mx3 n ILE 278 Cb 0.46 -1.19 0.00 0.00 -1.74 0.00 0.00 39.64 37.17 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 -1.39 0.00 0.00 6.28 1.74 -1.26 -3.70 116.66 118.33 3mx3 n ARG 279 Ca 0.02 -0.19 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 3mx3 n ARG 279 Cb 0.07 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 29.83 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 3.74 0.00 0.11 -1.55 3.72 -1.26 -1.40 117.46 120.81 3mx3 n PHE 281 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 3mx3 n PHE 281 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 3mx3 n PHE 281 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 3mx3 h TYR 282 N 0.00 0.00 0.06 1.38 -1.99 -1.71 -3.39 116.97 111.31 3mx3 h TYR 282 Ca 0.00 0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.37 3mx3 h TYR 282 Cb 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.69 3mx3 h TYR 282 CO 0.00 0.19 -2.14 0.66 -0.00 0.00 0.00 178.16 176.87 3mx3 n TYR 283 N -2.86 0.74 -3.77 4.88 4.02 -0.50 -4.64 117.16 115.03 3mx3 n TYR 283 Ca -0.01 0.18 -0.22 0.00 -0.01 0.00 0.00 57.90 57.84 3mx3 n TYR 283 Cb 0.63 -1.10 -0.04 0.00 -0.02 0.00 0.00 39.34 38.81 3mx3 n TYR 283 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mx3 s ALA 284 N -2.55 3.87 0.30 -0.72 0.00 -1.26 -1.63 121.76 119.78 3mx3 s ALA 284 Ca -0.22 -1.87 0.11 0.00 0.00 0.00 0.00 51.96 49.97 3mx3 s ALA 284 Cb 0.07 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 3mx3 s ALA 284 CO 0.73 -0.14 -0.14 -1.59 0.00 0.00 0.00 175.76 174.63 3mx3 s LYS 285 N -4.03 1.80 0.57 0.00 -2.85 -0.69 -3.76 119.74 110.78 3mx3 s LYS 285 Ca 0.44 -1.79 -0.20 0.00 -1.00 0.00 0.00 55.97 53.43 3mx3 s LYS 285 Cb -0.02 -1.80 -0.05 0.00 -2.06 0.00 0.00 37.83 33.90 3mx3 s LYS 285 CO 0.26 0.26 1.10 -2.30 0.10 0.00 0.00 175.35 174.77 3mx3 n PRO 286 N -0.72 1.17 -2.07 1.78 -0.02 -1.26 -4.00 135.00 129.88 3mx3 n PRO 286 Ca -0.05 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 3mx3 n PRO 286 Cb 0.61 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 3mx3 n PRO 286 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mx3 s ALA 287 N -1.42 3.64 0.33 3.55 0.00 0.16 -4.63 121.76 123.40 3mx3 s ALA 287 Ca 0.74 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.81 3mx3 s ALA 287 Cb -0.43 -3.62 0.57 0.00 0.00 0.00 0.00 23.12 19.64 3mx3 s ALA 287 CO 0.48 -0.91 1.97 -0.22 0.00 0.00 0.00 175.76 177.09 3mx3 h LYS 288 N 7.69 0.86 -0.15 0.00 1.63 -1.73 -0.53 116.57 124.35 3mx3 h LYS 288 Ca -0.41 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 59.35 3mx3 h LYS 288 Cb 1.20 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.64 3mx3 h LYS 288 CO 0.91 0.61 0.10 0.00 -3.45 0.00 0.00 179.45 177.61 3mx3 h ALA 289 N 1.54 2.06 -0.02 5.00 0.00 -1.72 0.17 119.26 126.30 3mx3 h ALA 289 Ca 0.23 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.89 3mx3 h ALA 289 Cb -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.77 3mx3 h ALA 289 CO -0.04 -0.09 -0.95 0.87 0.00 0.00 0.00 179.25 179.03 3mx3 h LYS 290 N 0.06 0.67 0.00 0.00 1.79 -1.40 -3.02 116.57 114.67 3mx3 h LYS 290 Ca 0.06 -0.70 -0.03 0.00 -2.18 0.00 0.00 60.65 57.80 3mx3 h LYS 290 Cb 0.18 0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 31.02 3mx3 h LYS 290 CO -0.01 1.29 -0.14 -0.07 -1.08 0.00 0.00 179.45 179.44 3mx3 h LEU 291 N 0.34 0.00 -0.87 2.94 3.38 -0.24 -1.38 115.31 119.48 3mx3 h LEU 291 Ca -0.11 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 3mx3 h LEU 291 Cb 1.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.35 3mx3 h LEU 291 CO 0.19 0.14 -0.47 0.78 0.09 0.00 0.00 178.44 179.17 3mx3 h ASN 292 N 0.00 0.00 0.12 -0.43 2.35 -0.79 -2.98 115.58 113.84 3mx3 h ASN 292 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3mx3 h ASN 292 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3mx3 h ASN 292 CO 0.02 0.47 -0.00 -0.62 -1.65 0.00 0.00 177.43 175.65 3mx3 n GLU 293 N -3.65 0.90 -2.60 0.81 1.02 -0.60 -4.91 120.64 111.60 3mx3 n GLU 293 Ca -0.01 -0.02 -0.08 0.00 -0.02 0.00 0.00 57.16 57.03 3mx3 n GLU 293 Cb 0.55 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.49 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 1.06 0.26 3.82 0.62 0.00 -1.13 -5.06 105.19 104.77 3mx3 n GLY 294 Ca 0.22 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.82 4.84 0.26 1.61 1.01 -0.70 -5.04 120.40 119.56 3mx3 s VAL 295 Ca 0.13 1.05 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 3mx3 s VAL 295 Cb -0.06 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3mx3 s VAL 295 CO 0.16 0.53 0.46 0.42 0.00 0.00 0.00 175.10 176.67 3mx3 s THR 296 N -1.14 5.14 0.58 3.92 -4.23 -1.26 -4.31 115.64 114.34 3mx3 s THR 296 Ca 0.28 -0.30 0.27 0.00 -1.18 0.00 0.00 61.69 60.77 3mx3 s THR 296 Cb -0.18 -3.76 0.34 0.00 1.34 0.00 0.00 72.50 70.24 3mx3 s THR 296 CO 0.17 -0.30 2.20 0.00 -0.54 0.00 0.00 174.62 176.15 3mx3 h ALA 297 N 1.63 1.69 -0.00 3.99 0.00 -1.98 -0.09 119.26 124.50 3mx3 h ALA 297 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3mx3 h ALA 297 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3mx3 h ALA 297 CO 0.66 -0.09 -0.18 -0.40 0.00 0.00 0.00 179.25 179.24 3mx3 n ASP 298 N -3.96 0.33 -4.74 0.00 5.75 -1.22 -4.85 116.55 107.87 3mx3 n ASP 298 Ca -0.02 -0.15 -0.40 0.00 -0.01 0.00 0.00 54.79 54.21 3mx3 n ASP 298 Cb 0.15 -0.12 -0.05 0.00 -1.03 0.00 0.00 41.12 40.07 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 -2.78 7.41 0.48 -1.12 0.01 -0.05 -4.95 113.70 112.71 3mx3 s SER 299 Ca 0.19 1.69 0.13 0.00 1.31 0.00 0.00 55.95 59.27 3mx3 s SER 299 Cb 0.19 -2.54 1.13 0.00 0.21 0.00 0.00 66.02 65.01 3mx3 s SER 299 CO 0.55 0.02 2.12 -0.50 0.41 0.00 0.00 173.24 175.84 3mx3 h TRP 300 N 5.29 0.17 0.00 2.43 4.06 -1.88 -2.22 115.95 123.80 3mx3 h TRP 300 Ca -0.44 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.51 3mx3 h TRP 300 Cb 1.21 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 3mx3 h TRP 300 CO 0.64 0.11 0.00 -0.25 -3.56 0.00 0.00 178.44 175.38 3mx3 n ASP 301 N -4.52 0.17 0.12 -3.49 8.00 -1.26 -2.79 116.55 112.77 3mx3 n ASP 301 Ca -0.01 0.54 0.13 0.00 0.71 0.00 0.00 54.79 56.16 3mx3 n ASP 301 Cb 0.08 -0.58 0.44 0.00 -0.02 0.00 0.00 41.12 41.04 3mx3 n ASP 301 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mx3 n ALA 302 N -1.57 2.03 -2.94 2.24 0.00 -0.83 -4.78 120.51 114.66 3mx3 n ALA 302 Ca 0.03 0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.15 3mx3 n ALA 302 Cb 0.17 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.06 3mx3 n ALA 302 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3mx3 s TYR 303 N -3.20 3.12 -0.11 0.00 1.51 -1.12 -0.67 117.35 116.88 3mx3 s TYR 303 Ca 0.08 -0.20 0.03 0.00 -1.01 0.00 0.00 57.07 55.97 3mx3 s TYR 303 Cb 0.11 -2.07 0.00 0.00 -0.11 0.00 0.00 41.96 39.89 3mx3 s TYR 303 CO 0.52 -0.05 -0.23 0.42 -1.11 0.00 0.00 175.55 175.10 3mx3 s ILE 304 N 0.69 2.14 0.21 2.71 1.01 -1.26 -4.98 121.20 121.73 3mx3 s ILE 304 Ca 0.01 -0.98 -0.16 0.00 0.00 0.00 0.00 60.65 59.52 3mx3 s ILE 304 Cb -0.14 -1.83 -0.08 0.00 0.01 0.00 0.00 42.46 40.42 3mx3 s ILE 304 CO 0.02 0.55 0.65 -0.83 0.00 0.00 0.00 174.94 175.34 3mx3 s GLY 305 N 0.44 2.49 -0.23 6.18 0.00 -1.26 -2.25 107.32 112.69 3mx3 s GLY 305 Ca -0.16 0.01 -0.06 0.00 0.00 0.00 0.00 44.72 44.51 3mx3 s GLY 305 CO 0.07 0.30 0.03 -1.59 0.00 0.00 0.00 173.10 171.90 3mx3 s THR 306 N -1.61 4.04 -0.50 0.90 2.01 -0.33 -4.55 115.64 115.62 3mx3 s THR 306 Ca 0.43 -0.27 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 3mx3 s THR 306 Cb -0.15 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 69.52 3mx3 s THR 306 CO 0.20 0.39 1.28 -0.62 -0.69 0.00 0.00 174.62 175.17 3mx3 s ASP 307 N 1.36 6.42 0.15 3.53 -1.08 -1.26 -2.37 116.67 123.42 3mx3 s ASP 307 Ca 0.05 0.45 0.22 0.00 -0.52 0.00 0.00 52.55 52.75 3mx3 s ASP 307 Cb -0.15 -2.55 0.88 0.00 -1.46 0.00 0.00 42.92 39.65 3mx3 s ASP 307 CO 0.02 -1.44 1.68 -0.81 0.52 0.00 0.00 175.17 175.14 3mx3 n PRO 308 N 8.20 0.13 0.00 4.34 -0.05 -1.26 -1.91 135.00 144.45 3mx3 n PRO 308 Ca 0.13 0.29 0.14 0.00 -0.05 0.00 0.00 63.50 64.01 3mx3 n PRO 308 Cb 0.49 -1.72 0.67 0.00 -0.05 0.00 0.00 33.50 32.89 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 -1.97 0.14 -4.75 3.54 3.41 -1.26 -4.88 113.62 107.85 3mx3 n SER 309 Ca 0.04 -0.14 -0.36 0.00 -0.26 0.00 0.00 58.87 58.15 3mx3 n SER 309 Cb 0.26 -0.24 0.04 0.00 -0.26 0.00 0.00 64.21 64.01 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 -2.65 3.64 0.34 1.04 1.43 -0.80 -4.62 118.68 117.07 3mx3 s LEU 310 Ca 0.25 2.47 -0.26 0.00 -1.03 0.00 0.00 54.13 55.55 3mx3 s LEU 310 Cb 0.20 -4.60 -0.13 0.00 0.03 0.00 0.00 46.19 41.69 3mx3 s LEU 310 CO 0.49 -1.72 1.01 -2.65 0.23 0.00 0.00 176.35 173.71 3mx3 n PRO 311 N -1.68 1.38 -0.13 1.29 -0.02 -1.26 -4.75 135.00 129.83 3mx3 n PRO 311 Ca 0.14 0.49 0.01 0.00 -2.02 0.00 0.00 63.50 62.12 3mx3 n PRO 311 Cb 0.49 -1.93 0.29 0.00 -0.02 0.00 0.00 33.50 32.33 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 1.83 0.79 -0.84 6.00 3.57 -1.94 -1.30 116.94 125.05 3mx3 h PHE 312 Ca -0.42 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.23 3mx3 h PHE 312 Cb 1.34 -0.26 -0.15 0.00 2.79 0.00 0.00 35.95 39.67 3mx3 h PHE 312 CO 0.46 0.53 -0.32 1.49 -2.23 0.00 0.00 178.31 178.24 3mx3 h GLU 313 N 0.83 -0.05 -0.11 1.11 4.81 -2.00 0.13 114.58 119.31 3mx3 h GLU 313 Ca 0.22 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3mx3 h GLU 313 Cb -0.03 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3mx3 h GLU 313 CO -0.04 -0.03 0.01 1.96 -0.73 0.00 0.00 179.01 180.17 3mx3 h GLN 314 N -0.05 0.19 -0.85 1.92 4.20 -1.61 -2.69 115.11 116.22 3mx3 h GLN 314 Ca 0.33 -0.06 0.17 0.00 0.06 0.00 0.00 58.65 59.15 3mx3 h GLN 314 Cb 0.60 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.25 3mx3 h GLN 314 CO -0.87 0.42 0.40 0.82 -0.67 0.00 0.00 178.83 178.93 3mx3 h ILE 315 N -0.07 0.64 -0.82 2.54 1.08 -0.78 -1.69 117.51 118.41 3mx3 h ILE 315 Ca 0.03 -0.18 0.01 0.00 -0.39 0.00 0.00 64.86 64.33 3mx3 h ILE 315 Cb 0.33 0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.11 3mx3 h ILE 315 CO 0.00 0.10 0.54 -0.08 -0.69 0.00 0.00 178.15 178.03 3mx3 h GLU 316 N 0.53 1.07 -0.21 2.37 4.81 -0.60 -1.71 114.58 120.85 3mx3 h GLU 316 Ca 0.48 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.61 3mx3 h GLU 316 Cb 0.77 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3mx3 h GLU 316 CO -0.42 0.71 -0.01 0.87 -0.73 0.00 0.00 179.01 179.43 3mx3 h LYS 317 N 1.11 0.38 -0.60 1.92 1.57 -1.01 -1.13 116.57 118.82 3mx3 h LYS 317 Ca 0.31 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3mx3 h LYS 317 Cb -0.11 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 3mx3 h LYS 317 CO -0.07 0.58 0.38 0.00 -0.57 0.00 0.00 179.45 179.77 3mx3 h ALA 318 N 0.78 1.54 -0.19 3.86 0.00 -1.27 -1.20 119.26 122.78 3mx3 h ALA 318 Ca 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3mx3 h ALA 318 Cb 0.42 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3mx3 h ALA 318 CO 0.01 0.41 -0.13 -0.92 0.00 0.00 0.00 179.25 178.63 3mx3 h TYR 319 N 0.82 0.50 -0.44 0.00 3.20 -0.95 -0.41 116.97 119.69 3mx3 h TYR 319 Ca 0.22 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3mx3 h TYR 319 Cb -0.07 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 3mx3 h TYR 319 CO 0.00 0.75 0.22 0.00 -1.64 0.00 0.00 178.16 177.49 3mx3 h ALA 320 N 0.67 0.56 -0.09 1.82 0.00 -1.03 -2.34 119.26 118.86 3mx3 h ALA 320 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mx3 h ALA 320 Cb 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3mx3 h ALA 320 CO 0.03 0.10 0.00 0.25 0.00 0.00 0.00 179.25 179.64 3mx3 n THR 321 N -4.68 0.11 -2.19 0.00 -2.24 -0.47 -4.91 114.28 99.90 3mx3 n THR 321 Ca 0.01 -0.17 -0.21 0.00 -2.27 0.00 0.00 64.05 61.41 3mx3 n THR 321 Cb 0.10 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.32 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 -0.25 -1.60 -1.90 -0.78 1.02 -0.41 -4.57 120.64 112.16 3mx3 n GLU 322 Ca 0.14 1.06 -0.40 0.00 -0.02 0.00 0.00 57.16 57.94 3mx3 n GLU 322 Cb 0.18 -5.65 -0.01 0.00 -0.02 0.00 0.00 31.44 25.95 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 -2.84 4.41 -3.50 3.49 6.02 -0.30 -2.44 117.38 122.21 3mx3 n GLN 323 Ca -0.24 -3.26 -0.12 0.00 -0.01 0.00 0.00 57.00 53.37 3mx3 n GLN 323 Cb 0.69 -2.68 -0.03 0.00 1.02 0.00 0.00 30.24 29.24 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 -0.54 -0.44 -0.23 1.08 1.13 -1.26 -4.82 117.35 112.27 3mx3 s TYR 324 Ca 0.56 0.28 -0.07 0.00 -1.41 0.00 0.00 57.07 56.43 3mx3 s TYR 324 Cb 0.18 0.44 -0.03 0.00 -1.10 0.00 0.00 41.96 41.45 3mx3 s TYR 324 CO -0.09 -0.77 0.06 -1.12 -2.51 0.00 0.00 175.55 171.13 3mx3 s SER 325 N -2.56 5.20 1.01 -0.18 0.01 -0.95 -3.98 113.70 112.25 3mx3 s SER 325 Ca -0.00 -0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.06 3mx3 s SER 325 Cb -0.00 -1.92 0.07 0.00 0.21 0.00 0.00 66.02 64.37 3mx3 s SER 325 CO -0.10 0.01 0.38 0.61 0.41 0.00 0.00 173.24 174.55 3mx3 n GLY 326 N 4.62 -1.38 3.77 3.44 0.00 -1.26 -0.80 105.19 113.59 3mx3 n GLY 326 Ca -0.16 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 3mx3 n GLY 326 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mx3 s PHE 327 N -1.81 2.82 0.55 1.61 0.08 -1.26 -1.71 117.98 118.26 3mx3 s PHE 327 Ca 0.22 1.24 -0.19 0.00 0.12 0.00 0.00 56.93 58.32 3mx3 s PHE 327 Cb -0.01 -3.87 -0.08 0.00 -0.57 0.00 0.00 43.02 38.49 3mx3 s PHE 327 CO 0.15 -2.52 0.64 -1.71 -0.10 0.00 0.00 175.22 171.68 3mx3 n ASN 328 N 0.83 -0.52 0.32 1.36 2.85 -0.65 -4.06 115.26 115.39 3mx3 n ASN 328 Ca 0.01 0.79 0.21 0.00 -0.11 0.00 0.00 54.58 55.48 3mx3 n ASN 328 Cb 0.40 -1.22 1.07 0.00 1.24 0.00 0.00 39.78 41.27 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 0.43 1.02 0.00 5.20 0.00 -1.86 -2.41 119.26 121.64 3mx3 h ALA 329 Ca -0.46 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3mx3 h ALA 329 Cb 1.39 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3mx3 h ALA 329 CO 0.49 0.00 -0.18 0.07 0.00 0.00 0.00 179.25 179.63 3mx3 h ARG 330 N 0.00 0.00 0.00 0.00 0.11 -1.88 0.11 114.38 112.71 3mx3 h ARG 330 Ca -0.00 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.92 3mx3 h ARG 330 Cb 0.14 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.20 3mx3 h ARG 330 CO 0.00 0.18 -0.81 1.88 0.10 0.00 0.00 179.97 181.32 3mx3 h TYR 331 N 0.00 0.00 0.00 4.08 0.05 -1.74 -3.35 116.97 116.00 3mx3 h TYR 331 Ca -0.00 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.64 3mx3 h TYR 331 Cb 0.48 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.19 3mx3 h TYR 331 CO 0.00 0.72 -1.51 0.25 -1.05 0.00 0.00 178.16 176.57 3mx3 n THR 332 N -3.24 0.51 0.21 -2.88 -2.24 -0.97 -3.66 114.28 102.01 3mx3 n THR 332 Ca -0.00 -0.30 0.03 0.00 -2.27 0.00 0.00 64.05 61.50 3mx3 n THR 332 Cb 0.84 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 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 -2.35 1.01 -4.50 3.42 8.00 0.33 -0.58 116.55 121.87 3mx3 n ASP 333 Ca -0.13 -0.50 -0.40 0.00 0.71 0.00 0.00 54.79 54.47 3mx3 n ASP 333 Cb 0.73 1.06 -0.11 0.00 -0.02 0.00 0.00 41.12 42.78 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 -1.72 3.22 0.36 1.24 5.04 -1.16 -4.95 117.35 119.37 3mx3 s TYR 334 Ca 0.01 -0.34 0.07 0.00 -2.44 0.00 0.00 57.07 54.37 3mx3 s TYR 334 Cb 0.04 -2.46 0.77 0.00 0.35 0.00 0.00 41.96 40.66 3mx3 s TYR 334 CO 0.23 -0.41 1.92 -1.35 -1.34 0.00 0.00 175.55 174.60 3mx3 h PRO 335 N 8.47 0.72 -0.00 4.97 0.11 -1.92 -0.71 132.00 143.63 3mx3 h PRO 335 Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3mx3 h PRO 335 Cb 1.15 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3mx3 h PRO 335 CO 0.64 0.48 -0.17 -1.13 -0.21 0.00 0.00 178.00 177.61 3mx3 n SER 336 N -4.51 0.58 0.00 -2.05 3.41 -1.26 -1.22 113.62 108.56 3mx3 n SER 336 Ca 0.14 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 3mx3 n SER 336 Cb 0.33 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 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 1.32 2.92 3.15 5.00 0.00 -0.27 -4.28 105.19 113.03 3mx3 n GLY 337 Ca 0.13 0.24 -0.11 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 0.78 0.51 1.61 -1.05 -1.26 -4.82 118.70 114.46 3mx3 s GLU 338 Ca 0.00 -1.23 -0.22 0.00 -0.15 0.00 0.00 54.97 53.37 3mx3 s GLU 338 Cb 0.00 -0.22 -0.06 0.00 -0.44 0.00 0.00 34.13 33.41 3mx3 s GLU 338 CO 0.00 -0.01 1.22 -2.14 0.95 0.00 0.00 175.26 175.28 3mx3 s PRO 339 N -3.42 3.46 -0.35 -4.83 0.02 -1.26 -4.80 135.00 123.82 3mx3 s PRO 339 Ca 0.08 1.90 -0.13 0.00 0.02 0.00 0.00 61.00 62.86 3mx3 s PRO 339 Cb 0.03 -2.28 -0.01 0.00 0.02 0.00 0.00 34.50 32.25 3mx3 s PRO 339 CO -0.04 -0.83 0.27 0.08 -0.33 0.00 0.00 177.00 176.15 3mx3 s VAL 340 N -1.50 5.26 -0.10 3.83 1.01 -1.26 -5.00 120.40 122.64 3mx3 s VAL 340 Ca 0.68 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 62.37 3mx3 s VAL 340 Cb -0.32 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 3mx3 s VAL 340 CO 0.38 -0.05 0.22 -0.69 0.00 0.00 0.00 175.10 174.96 3mx3 s VAL 341 N 1.78 5.36 -0.23 2.92 1.01 -1.26 -4.37 120.40 125.62 3mx3 s VAL 341 Ca 0.07 0.40 -0.06 0.00 0.00 0.00 0.00 61.98 62.39 3mx3 s VAL 341 Cb -0.17 -3.50 -0.12 0.00 0.00 0.00 0.00 36.38 32.58 3mx3 s VAL 341 CO 0.11 0.58 -0.25 0.54 0.00 0.00 0.00 175.10 176.07 3mx3 n ARG 342 N 2.20 0.51 -4.17 2.72 5.12 0.00 -1.95 116.66 121.09 3mx3 n ARG 342 Ca -0.17 0.18 -0.26 0.00 -1.93 0.00 0.00 57.85 55.67 3mx3 n ARG 342 Cb 0.54 -1.37 -0.17 0.00 -1.16 0.00 0.00 32.46 30.30 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 -6.82 1.37 0.19 0.55 1.43 -0.96 -4.88 118.68 109.55 3mx3 s LEU 343 Ca -0.31 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 3mx3 s LEU 343 Cb 0.10 -0.82 -0.05 0.00 0.03 0.00 0.00 46.19 45.46 3mx3 s LEU 343 CO 0.45 -0.06 0.06 -0.83 0.23 0.00 0.00 176.35 176.20 3mx3 s GLY 344 N 1.27 1.35 0.03 -3.19 0.00 -1.26 -0.59 107.32 104.93 3mx3 s GLY 344 Ca -0.03 -1.66 -0.24 0.00 0.00 0.00 0.00 44.72 42.79 3mx3 s GLY 344 CO -0.03 -1.49 1.45 -1.82 0.00 0.00 0.00 173.10 171.21 3mx3 h TYR 345 N 2.63 0.06 -0.27 1.90 3.20 -1.90 0.13 116.97 122.74 3mx3 h TYR 345 Ca -0.37 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.53 3mx3 h TYR 345 Cb 1.22 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.44 3mx3 h TYR 345 CO 0.46 0.35 0.02 0.00 -1.64 0.00 0.00 178.16 177.35 3mx3 h ALA 346 N 0.70 0.25 -0.25 1.82 0.00 -1.89 -2.20 119.26 117.69 3mx3 h ALA 346 Ca 0.01 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3mx3 h ALA 346 Cb 0.33 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3mx3 h ALA 346 CO 0.00 -0.40 0.02 1.49 0.00 0.00 0.00 179.25 180.36 3mx3 h GLU 347 N 0.10 0.10 -1.01 0.00 4.81 -1.87 -1.47 114.58 115.25 3mx3 h GLU 347 Ca 0.13 -0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.50 3mx3 h GLU 347 Cb 0.15 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.42 3mx3 h GLU 347 CO -0.20 0.07 0.63 0.37 -0.73 0.00 0.00 179.01 179.15 3mx3 h GLN 348 N 0.11 0.88 0.00 1.92 4.15 -0.49 -0.22 115.11 121.46 3mx3 h GLN 348 Ca 0.12 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.40 3mx3 h GLN 348 Cb 0.14 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 3mx3 h GLN 348 CO -0.18 0.58 -0.42 -0.91 -1.93 0.00 0.00 178.83 175.98 3mx3 h ASN 349 N 0.91 0.00 -0.11 -0.69 2.35 -0.77 -0.32 115.58 116.96 3mx3 h ASN 349 Ca 0.53 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.13 3mx3 h ASN 349 Cb 0.64 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.01 3mx3 h ASN 349 CO -0.31 0.42 -0.47 -0.26 -1.65 0.00 0.00 177.43 175.16 3mx3 h PHE 350 N 0.00 0.81 -0.19 1.19 0.04 -0.23 -1.07 116.94 117.49 3mx3 h PHE 350 Ca -0.00 -0.26 -0.03 0.00 2.80 0.00 0.00 57.97 60.48 3mx3 h PHE 350 Cb 1.17 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 39.15 3mx3 h PHE 350 CO 0.00 1.01 0.02 0.82 -0.60 0.00 0.00 178.31 179.56 3mx3 h ILE 351 N 0.53 1.23 -0.75 -0.55 2.04 -0.70 -2.25 117.51 117.06 3mx3 h ILE 351 Ca 0.03 -0.78 0.01 0.00 1.00 0.00 0.00 64.86 65.13 3mx3 h ILE 351 Cb 1.01 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 3mx3 h ILE 351 CO 0.10 0.24 0.49 -0.07 0.00 0.00 0.00 178.15 178.91 3mx3 h LEU 352 N 0.11 0.84 -0.23 1.44 3.38 -1.07 -0.72 115.31 119.06 3mx3 h LEU 352 Ca 0.06 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3mx3 h LEU 352 Cb 0.34 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3mx3 h LEU 352 CO 0.01 0.60 0.02 0.00 0.09 0.00 0.00 178.44 179.16 3mx3 h ALA 353 N 1.29 0.22 -0.27 1.53 0.00 -1.07 0.42 119.26 121.37 3mx3 h ALA 353 Ca 0.28 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 3mx3 h ALA 353 Cb -0.08 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3mx3 h ALA 353 CO -0.07 -0.40 0.11 1.49 0.00 0.00 0.00 179.25 180.38 3mx3 h GLU 354 N 0.10 0.41 -0.79 0.00 4.81 -1.07 -1.38 114.58 116.66 3mx3 h GLU 354 Ca 0.11 -0.07 0.16 0.00 -0.13 0.00 0.00 59.36 59.42 3mx3 h GLU 354 Cb 0.13 -0.07 -0.10 0.00 0.63 0.00 0.00 28.75 29.34 3mx3 h GLU 354 CO -0.17 0.43 0.32 0.00 -0.73 0.00 0.00 179.01 178.87 3mx3 h ALA 355 N 0.96 1.14 0.01 2.92 0.00 -0.57 0.51 119.26 124.22 3mx3 h ALA 355 Ca 0.09 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3mx3 h ALA 355 Cb 0.18 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3mx3 h ALA 355 CO -0.01 -0.22 -0.00 0.00 0.00 0.00 0.00 179.25 179.01 3mx3 h ALA 356 N 1.58 -0.01 -0.88 0.00 0.00 -0.43 -0.57 119.26 118.95 3mx3 h ALA 356 Ca 0.44 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.36 3mx3 h ALA 356 Cb 0.70 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.43 3mx3 h ALA 356 CO -0.43 -0.43 0.53 0.28 0.00 0.00 0.00 179.25 179.20 3mx3 h VAL 357 N -0.16 0.98 0.00 0.00 2.07 -0.72 0.05 116.25 118.47 3mx3 h VAL 357 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3mx3 h VAL 357 Cb 0.15 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3mx3 h VAL 357 CO 0.00 0.17 0.00 0.54 0.02 0.00 0.00 177.57 178.30 3mx3 n ARG 358 N -4.66 0.05 -0.75 1.57 1.74 0.12 -4.91 116.66 109.82 3mx3 n ARG 358 Ca 0.14 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 3mx3 n ARG 358 Cb 0.24 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 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 0.69 0.78 0.25 -0.13 0.00 0.00 -4.92 105.19 101.87 3mx3 n GLY 359 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 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 0.67 -2.84 1.61 4.06 -1.37 -3.44 115.95 114.63 3mx3 h TRP 360 Ca 0.00 -0.13 -0.46 0.00 2.06 0.00 0.00 58.89 60.36 3mx3 h TRP 360 Cb 0.00 -0.17 -0.14 0.00 -1.00 0.00 0.00 29.16 27.85 3mx3 h TRP 360 CO 0.00 0.75 -0.67 0.96 -3.56 0.00 0.00 178.44 175.91 3mx3 s ILE 361 N -4.65 1.48 -0.43 1.49 -4.36 -1.22 -4.56 121.20 108.95 3mx3 s ILE 361 Ca -0.08 -2.10 0.22 0.00 -0.26 0.00 0.00 60.65 58.43 3mx3 s ILE 361 Cb 0.14 -2.39 -0.20 0.00 1.25 0.00 0.00 42.46 41.25 3mx3 s ILE 361 CO 0.80 -0.33 0.81 -1.54 0.24 0.00 0.00 174.94 174.92 3mx3 n SER 362 N -0.52 0.48 -4.30 4.36 3.41 -1.26 -4.45 113.62 111.34 3mx3 n SER 362 Ca -0.06 -0.22 -0.30 0.00 -0.26 0.00 0.00 58.87 58.04 3mx3 n SER 362 Cb 0.63 1.23 0.23 0.00 -0.26 0.00 0.00 64.21 66.04 3mx3 n SER 362 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3mx3 n GLY 363 N 1.33 -2.41 3.67 5.00 0.00 -1.26 -4.93 105.19 106.59 3mx3 n GLY 363 Ca -0.00 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 3mx3 n GLY 363 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3mx3 s ASP 364 N -2.18 7.14 0.18 1.61 2.15 -1.26 -4.85 116.67 119.46 3mx3 s ASP 364 Ca 0.63 1.45 -0.13 0.00 0.43 0.00 0.00 52.55 54.93 3mx3 s ASP 364 Cb -0.19 -2.55 0.08 0.00 -0.30 0.00 0.00 42.92 39.97 3mx3 s ASP 364 CO 0.65 -0.60 1.79 0.00 -0.17 0.00 0.00 175.17 176.83 3mx3 h ALA 365 N 7.36 0.76 -0.90 3.66 0.00 -1.91 -2.76 119.26 125.47 3mx3 h ALA 365 Ca -0.23 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3mx3 h ALA 365 Cb 1.09 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3mx3 h ALA 365 CO 0.94 0.28 0.49 0.77 0.00 0.00 0.00 179.25 181.73 3mx3 h SER 366 N 0.80 1.13 -0.70 0.00 0.02 -1.92 -1.35 113.55 111.53 3mx3 h SER 366 Ca 0.21 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3mx3 h SER 366 Cb 0.05 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3mx3 h SER 366 CO -0.03 0.91 0.31 0.00 -1.14 0.00 0.00 176.83 176.88 3mx3 h ALA 367 N 1.27 0.90 -0.13 3.77 0.00 -1.92 -0.04 119.26 123.12 3mx3 h ALA 367 Ca 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3mx3 h ALA 367 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3mx3 h ALA 367 CO -0.05 0.49 0.03 1.88 0.00 0.00 0.00 179.25 181.60 3mx3 h TYR 368 N 0.98 0.21 -0.51 0.00 0.05 -1.20 -1.08 116.97 115.42 3mx3 h TYR 368 Ca 0.24 -0.02 0.08 0.00 0.05 0.00 0.00 58.73 59.07 3mx3 h TYR 368 Cb 0.16 -0.06 -0.06 0.00 1.01 0.00 0.00 36.73 37.77 3mx3 h TYR 368 CO 0.01 0.36 0.16 -0.92 -1.05 0.00 0.00 178.16 176.71 3mx3 h TYR 369 N 0.01 0.27 -0.11 4.88 3.20 -1.03 0.54 116.97 124.72 3mx3 h TYR 369 Ca 0.04 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.74 3mx3 h TYR 369 Cb 0.25 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.47 3mx3 h TYR 369 CO 0.01 0.07 -0.72 0.87 -1.64 0.00 0.00 178.16 176.74 3mx3 h LYS 370 N 0.32 0.54 -0.78 1.82 1.57 -0.94 -1.64 116.57 117.46 3mx3 h LYS 370 Ca 0.25 -0.43 0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3mx3 h LYS 370 Cb 0.29 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.63 3mx3 h LYS 370 CO -0.28 1.06 0.47 0.87 -0.57 0.00 0.00 179.45 181.00 3mx3 h LYS 371 N 0.38 0.84 -0.44 3.15 1.57 -0.74 -1.13 116.57 120.21 3mx3 h LYS 371 Ca -0.03 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.65 3mx3 h LYS 371 Cb 1.31 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 3mx3 h LYS 371 CO 0.13 0.56 0.09 0.00 -0.57 0.00 0.00 179.45 179.66 3mx3 h ALA 372 N 1.37 0.58 -0.20 3.86 0.00 -0.75 -1.04 119.26 123.08 3mx3 h ALA 372 Ca 0.34 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3mx3 h ALA 372 Cb 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3mx3 h ALA 372 CO -0.17 0.28 -0.38 0.82 0.00 0.00 0.00 179.25 179.80 3mx3 h ILE 373 N 0.58 1.33 -0.20 0.00 2.04 -1.08 -2.13 117.51 118.05 3mx3 h ILE 373 Ca 0.13 -1.61 0.04 0.00 1.00 0.00 0.00 64.86 64.43 3mx3 h ILE 373 Cb 0.35 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 3mx3 h ILE 373 CO 0.01 0.50 -0.08 -0.09 0.00 0.00 0.00 178.15 178.49 3mx3 h ARG 374 N 0.29 -0.04 -0.84 2.37 2.43 -1.23 -2.67 114.38 114.69 3mx3 h ARG 374 Ca 0.01 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 3mx3 h ARG 374 Cb 0.98 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.49 3mx3 h ARG 374 CO 0.09 -0.03 0.55 0.00 -1.51 0.00 0.00 179.97 179.07 3mx3 h ALA 375 N 1.15 1.47 0.00 2.80 0.00 -1.03 0.95 119.26 124.60 3mx3 h ALA 375 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mx3 h ALA 375 Cb 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3mx3 h ALA 375 CO -0.23 0.45 0.00 1.58 0.00 0.00 0.00 179.25 181.05 3mx3 n HIS 376 N -4.44 0.00 0.00 0.00 -0.00 -0.81 -0.67 115.22 109.30 3mx3 n HIS 376 Ca 0.11 -0.06 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 3mx3 n HIS 376 Cb 0.10 -0.08 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 0.51 0.00 -0.05 1.57 1.02 0.33 -1.54 120.64 122.48 3mx3 n GLU 378 Ca 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.06 3mx3 n GLU 378 Cb 0.12 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.52 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 0.05 -0.26 -0.32 3.57 -1.13 -0.51 116.94 118.34 3mx3 h PHE 379 Ca 0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3mx3 h PHE 379 Cb 0.00 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3mx3 h PHE 379 CO 0.00 0.01 0.09 0.82 -2.23 0.00 0.00 178.31 176.99 3mx3 h ILE 380 N 0.11 1.19 -0.57 1.41 2.04 -1.56 -2.60 117.51 117.53 3mx3 h ILE 380 Ca 0.10 -0.60 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 3mx3 h ILE 380 Cb 0.10 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3mx3 h ILE 380 CO -0.14 0.20 0.10 0.00 0.00 0.00 0.00 178.15 178.31 3mx3 h ALA 381 N 0.92 1.11 0.00 1.87 0.00 -1.81 -1.65 119.26 119.71 3mx3 h ALA 381 Ca 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3mx3 h ALA 381 Cb 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3mx3 h ALA 381 CO -0.00 0.59 0.00 0.77 0.00 0.00 0.00 179.25 180.60 3mx3 h SER 382 N 0.86 0.00 -0.08 0.00 0.02 -0.91 -3.21 113.55 110.22 3mx3 h SER 382 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3mx3 h SER 382 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 3mx3 h SER 382 CO 0.01 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.29 3mx3 n ASN 383 N -2.72 2.28 -3.89 3.07 3.02 -0.76 -4.96 115.26 111.30 3mx3 n ASN 383 Ca 0.02 -2.11 -0.23 0.00 -0.03 0.00 0.00 54.58 52.23 3mx3 n ASN 383 Cb 0.31 -0.10 -0.17 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.19 0.69 0.70 3.41 2.01 -0.69 -4.75 115.64 115.81 3mx3 s THR 384 Ca 0.09 -0.16 -0.16 0.00 0.31 0.00 0.00 61.69 61.77 3mx3 s THR 384 Cb 0.06 -0.73 -0.02 0.00 0.01 0.00 0.00 72.50 71.82 3mx3 s THR 384 CO 0.04 0.28 0.82 -2.65 -0.69 0.00 0.00 174.62 172.42 3mx3 n PRO 385 N 4.43 0.50 -2.86 4.92 -0.02 -1.26 -4.82 135.00 135.90 3mx3 n PRO 385 Ca -0.18 0.22 -0.44 0.00 -2.02 0.00 0.00 63.50 61.08 3mx3 n PRO 385 Cb 0.51 -2.07 -0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3mx3 n PRO 385 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3mx3 s ASP 386 N -1.51 7.00 0.02 2.55 -1.08 -1.26 -4.81 116.67 117.59 3mx3 s ASP 386 Ca 0.71 -2.83 -0.05 0.00 -0.52 0.00 0.00 52.55 49.87 3mx3 s ASP 386 Cb -0.36 -2.44 -0.01 0.00 -1.46 0.00 0.00 42.92 38.64 3mx3 s ASP 386 CO 0.52 -0.86 0.08 -1.61 0.52 0.00 0.00 175.17 173.81 3mx3 s GLU 387 N 2.27 0.48 0.28 4.34 2.02 -1.26 -5.06 118.70 121.76 3mx3 s GLU 387 Ca 0.45 -0.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.82 3mx3 s GLU 387 Cb -0.01 0.19 0.38 0.00 0.10 0.00 0.00 34.13 34.78 3mx3 s GLU 387 CO 0.02 -0.11 1.89 1.49 0.02 0.00 0.00 175.26 178.57 3mx3 h GLU 388 N 4.14 1.03 -0.67 1.61 4.22 -1.95 -1.63 114.58 121.32 3mx3 h GLU 388 Ca -0.32 -0.13 0.17 0.00 0.08 0.00 0.00 59.36 59.17 3mx3 h GLU 388 Cb 1.19 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 3mx3 h GLU 388 CO 0.45 0.77 0.47 -0.24 -2.18 0.00 0.00 179.01 178.28 3mx3 h VAL 389 N 1.03 0.72 0.04 0.32 3.04 -1.97 0.67 116.25 120.11 3mx3 h VAL 389 Ca 0.26 -0.05 -0.37 0.00 -1.01 0.00 0.00 66.70 65.52 3mx3 h VAL 389 Cb 0.06 0.57 -0.05 0.00 -2.01 0.00 0.00 31.29 29.86 3mx3 h VAL 389 CO -0.04 0.03 -2.27 -1.22 -1.01 0.00 0.00 177.57 173.05 3mx3 n TYR 390 N -4.40 0.46 0.81 3.17 4.01 -0.69 -4.46 117.16 116.05 3mx3 n TYR 390 Ca 0.13 0.11 0.08 0.00 -0.16 0.00 0.00 57.90 58.06 3mx3 n TYR 390 Cb 0.64 -1.06 -0.07 0.00 -0.31 0.00 0.00 39.34 38.54 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 -3.26 0.00 -3.57 -0.72 1.44 -0.74 -4.12 115.22 104.25 3mx3 n HIS 391 Ca -0.38 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.07 3mx3 n HIS 391 Cb 1.03 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 31.13 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 -0.98 -1.77 -0.68 -1.40 8.25 0.23 -0.49 115.22 118.38 3mx3 n HIS 392 Ca 0.05 0.54 0.00 0.00 -0.26 0.00 0.00 57.72 58.04 3mx3 n HIS 392 Cb 0.30 -2.82 0.00 0.00 1.12 0.00 0.00 29.99 28.60 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 -1.19 0.78 2.67 -1.41 0.00 -1.26 -3.44 105.19 101.33 3mx3 n GLY 393 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.23 3.85 -1.94 1.61 8.25 0.36 -5.07 115.22 120.04 3mx3 n HIS 394 Ca 0.00 -4.08 -0.39 0.00 -0.26 0.00 0.00 57.72 52.99 3mx3 n HIS 394 Cb 0.00 -0.53 0.02 0.00 1.12 0.00 0.00 29.99 30.60 3mx3 n HIS 394 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3mx3 s PRO 395 N -2.96 3.56 -0.52 -0.41 0.04 -1.26 -4.93 135.00 128.52 3mx3 s PRO 395 Ca 0.44 2.17 -0.28 0.00 0.04 0.00 0.00 61.00 63.37 3mx3 s PRO 395 Cb 0.21 -2.48 0.01 0.00 0.04 0.00 0.00 34.50 32.29 3mx3 s PRO 395 CO -0.07 -0.83 1.39 0.42 0.04 0.00 0.00 177.00 177.94 3mx3 s ILE 396 N -1.32 3.85 0.38 0.56 1.01 -1.26 -4.88 121.20 119.54 3mx3 s ILE 396 Ca 0.65 0.77 0.08 0.00 0.00 0.00 0.00 60.65 62.15 3mx3 s ILE 396 Cb -0.38 -4.40 -0.07 0.00 0.01 0.00 0.00 42.46 37.62 3mx3 s ILE 396 CO 0.47 -1.06 0.01 0.42 0.00 0.00 0.00 174.94 174.78 3mx3 s THR 397 N 5.78 2.22 0.23 2.92 -4.23 -1.26 -4.90 115.64 116.39 3mx3 s THR 397 Ca 0.54 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 58.97 3mx3 s THR 397 Cb -0.11 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 71.04 3mx3 s THR 397 CO 0.27 -0.09 1.81 -0.08 -0.54 0.00 0.00 174.62 175.99 3mx3 h GLU 398 N 1.80 0.71 -0.71 3.99 4.57 -2.00 -1.73 114.58 121.21 3mx3 h GLU 398 Ca -0.43 -0.04 0.05 0.00 -1.18 0.00 0.00 59.36 57.75 3mx3 h GLU 398 Cb 1.25 -0.16 -0.05 0.00 -0.16 0.00 0.00 28.75 29.63 3mx3 h GLU 398 CO 0.74 0.47 0.43 0.93 -1.18 0.00 0.00 179.01 180.40 3mx3 h GLU 399 N 0.73 0.79 -0.17 1.92 3.07 -1.98 -0.73 114.58 118.20 3mx3 h GLU 399 Ca 0.35 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 59.03 3mx3 h GLU 399 Cb 0.28 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3mx3 h GLU 399 CO -0.22 0.52 -0.44 0.00 -1.40 0.00 0.00 179.01 177.47 3mx3 h ALA 400 N 1.34 0.91 0.39 3.43 0.00 -1.71 -1.61 119.26 122.00 3mx3 h ALA 400 Ca 0.30 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3mx3 h ALA 400 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3mx3 h ALA 400 CO -0.15 0.64 -0.19 0.82 0.00 0.00 0.00 179.25 180.38 3mx3 h ILE 401 N 0.35 0.58 -0.95 0.00 2.04 -0.84 -1.16 117.51 117.53 3mx3 h ILE 401 Ca 0.03 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.49 3mx3 h ILE 401 Cb 0.92 0.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 3mx3 h ILE 401 CO 0.08 0.08 0.62 0.00 0.00 0.00 0.00 178.15 178.93 3mx3 h ALA 402 N -0.31 1.40 0.18 1.87 0.00 -1.13 -0.76 119.26 120.51 3mx3 h ALA 402 Ca -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3mx3 h ALA 402 Cb 0.53 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3mx3 h ALA 402 CO 0.09 0.49 -0.08 0.00 0.00 0.00 0.00 179.25 179.74 3mx3 h ALA 403 N 1.45 -0.24 -0.42 0.00 0.00 -1.31 -3.25 119.26 115.50 3mx3 h ALA 403 Ca 0.39 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3mx3 h ALA 403 Cb 0.05 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3mx3 h ALA 403 CO -0.13 -0.52 0.25 0.35 0.00 0.00 0.00 179.25 179.21 3mx3 h PHE 404 N -0.47 0.46 -0.89 0.00 3.57 -0.62 -2.42 116.94 116.58 3mx3 h PHE 404 Ca -0.02 0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.75 3mx3 h PHE 404 Cb 0.36 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 3mx3 h PHE 404 CO 0.00 0.27 0.69 -0.07 -2.23 0.00 0.00 178.31 176.97 3mx3 h LEU 405 N 0.50 0.00 -3.10 0.59 3.38 -1.20 -0.50 115.31 114.99 3mx3 h LEU 405 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3mx3 h LEU 405 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3mx3 h LEU 405 CO -0.08 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.83 3mx3 n GLU 406 N -4.11 3.42 -1.68 1.13 -0.58 -0.92 -4.92 120.64 112.98 3mx3 n GLU 406 Ca 0.18 -2.72 -0.46 0.00 -0.42 0.00 0.00 57.16 53.75 3mx3 n GLU 406 Cb 1.00 -1.76 -0.04 0.00 -0.57 0.00 0.00 31.44 30.07 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 0.78 0.35 -0.27 2.62 -1.04 -0.20 -4.90 114.28 111.62 3mx3 n THR 407 Ca 0.22 -0.06 0.01 0.00 -2.04 0.00 0.00 64.05 62.18 3mx3 n THR 407 Cb 0.79 -1.85 0.14 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 8.05 0.76 -0.77 -2.82 0.11 -1.93 -3.02 132.00 132.37 3mx3 h PRO 408 Ca -0.47 -0.05 0.12 0.00 0.11 0.00 0.00 66.00 65.72 3mx3 h PRO 408 Cb 1.25 -0.17 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 3mx3 h PRO 408 CO 0.93 0.50 0.51 0.00 -0.21 0.00 0.00 178.00 179.72 3mx3 h ALA 409 N 1.41 1.94 -0.01 -0.75 0.00 -1.96 -2.00 119.26 117.88 3mx3 h ALA 409 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3mx3 h ALA 409 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3mx3 h ALA 409 CO -0.21 -0.13 -0.07 0.44 0.00 0.00 0.00 179.25 179.28 3mx3 n ILE 410 N -4.50 0.00 -2.20 0.00 -5.35 -1.14 -4.96 119.36 101.21 3mx3 n ILE 410 Ca 0.14 -0.20 -0.40 0.00 -0.27 0.00 0.00 62.75 62.02 3mx3 n ILE 410 Cb 0.43 0.40 -0.02 0.00 -1.74 0.00 0.00 39.64 38.71 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 -2.15 4.31 0.46 6.28 -1.52 -0.76 -4.99 119.66 121.30 3mx3 s GLN 411 Ca 0.35 2.08 -0.22 0.00 -1.95 0.00 0.00 55.36 55.62 3mx3 s GLN 411 Cb 0.21 -2.99 -0.08 0.00 -0.22 0.00 0.00 33.01 29.92 3mx3 s GLN 411 CO 0.39 -0.17 1.10 -0.51 -0.25 0.00 0.00 175.29 175.84 3mx3 s LEU 412 N -1.92 3.97 0.00 2.90 1.43 -1.26 -4.98 118.68 118.82 3mx3 s LEU 412 Ca 0.50 2.12 0.07 0.00 -1.03 0.00 0.00 54.13 55.80 3mx3 s LEU 412 Cb -0.37 -4.36 -0.06 0.00 0.03 0.00 0.00 46.19 41.44 3mx3 s LEU 412 CO 0.48 -0.82 0.36 -1.54 0.23 0.00 0.00 176.35 175.07 3mx3 n SER 413 N -0.62 0.52 0.00 2.29 3.41 -1.26 -4.99 113.62 112.97 3mx3 n SER 413 Ca 0.08 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 3mx3 n SER 413 Cb 0.50 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 65.32 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 1.07 1.44 3.71 5.00 0.00 -1.26 -5.04 105.19 110.11 3mx3 n GLY 414 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.44 4.37 0.05 1.61 8.01 -1.26 -5.02 118.70 126.02 3mx3 s GLU 415 Ca 0.00 0.65 -0.27 0.00 0.01 0.00 0.00 54.97 55.36 3mx3 s GLU 415 Cb 0.00 -3.45 -0.15 0.00 -4.31 0.00 0.00 34.13 26.22 3mx3 s GLU 415 CO 0.00 0.08 1.41 -0.22 0.01 0.00 0.00 175.26 176.54 3mx3 h LYS 416 N 6.81 -0.90 -0.86 1.61 3.64 -1.96 -1.68 116.57 123.24 3mx3 h LYS 416 Ca -0.40 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3mx3 h LYS 416 Cb 1.18 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 33.17 3mx3 h LYS 416 CO 0.76 -0.60 0.53 0.93 -2.27 0.00 0.00 179.45 178.79 3mx3 h GLU 417 N -0.94 1.15 -0.81 1.90 4.39 -1.98 -0.66 114.58 117.64 3mx3 h GLU 417 Ca -0.09 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 3mx3 h GLU 417 Cb 0.74 -0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 3mx3 h GLU 417 CO 0.11 0.80 0.33 1.49 -1.16 0.00 0.00 179.01 180.58 3mx3 h GLU 418 N 1.17 1.20 -0.28 2.33 4.81 -1.99 -0.64 114.58 121.18 3mx3 h GLU 418 Ca 0.31 -0.21 -0.16 0.00 -0.13 0.00 0.00 59.36 59.17 3mx3 h GLU 418 Cb -0.07 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.11 3mx3 h GLU 418 CO -0.06 0.96 -0.44 -0.44 -0.73 0.00 0.00 179.01 178.30 3mx3 h ASP 419 N 1.17 0.88 -0.45 1.04 3.32 -0.78 -1.73 116.42 119.87 3mx3 h ASP 419 Ca 0.27 -0.52 0.02 0.00 0.02 0.00 0.00 57.03 56.83 3mx3 h ASP 419 Cb 0.20 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3mx3 h ASP 419 CO -0.02 1.23 0.26 0.40 -1.72 0.00 0.00 179.24 179.38 3mx3 h ILE 420 N 0.56 1.03 -0.64 0.35 2.04 -0.91 0.11 117.51 120.05 3mx3 h ILE 420 Ca 0.03 -0.18 0.06 0.00 1.00 0.00 0.00 64.86 65.76 3mx3 h ILE 420 Cb 1.04 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3mx3 h ILE 420 CO 0.10 0.09 0.35 -0.08 0.00 0.00 0.00 178.15 178.62 3mx3 h GLU 421 N 0.52 0.64 -0.46 2.37 4.81 -1.03 0.17 114.58 121.60 3mx3 h GLU 421 Ca 0.18 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3mx3 h GLU 421 Cb 0.03 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3mx3 h GLU 421 CO -0.09 0.42 0.02 0.87 -0.73 0.00 0.00 179.01 179.50 3mx3 h LYS 422 N 0.66 0.79 -0.16 1.92 1.57 -0.80 -0.64 116.57 119.90 3mx3 h LYS 422 Ca 0.29 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3mx3 h LYS 422 Cb 0.18 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3mx3 h LYS 422 CO -0.18 0.84 0.08 0.82 -0.57 0.00 0.00 179.45 180.45 3mx3 h ILE 423 N 0.64 1.11 -0.48 1.86 2.04 -0.41 -0.79 117.51 121.49 3mx3 h ILE 423 Ca 0.13 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 3mx3 h ILE 423 Cb 0.47 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 3mx3 h ILE 423 CO 0.02 0.10 0.20 -0.07 0.00 0.00 0.00 178.15 178.40 3mx3 h LEU 424 N 0.15 0.61 -0.10 1.44 -0.00 -0.56 -0.03 115.31 116.81 3mx3 h LEU 424 Ca 0.06 -0.06 -0.14 0.00 -0.00 0.00 0.00 57.88 57.73 3mx3 h LEU 424 Cb 0.08 -0.16 0.01 0.00 -0.00 0.00 0.00 40.66 40.59 3mx3 h LEU 424 CO -0.01 0.54 -0.48 0.74 -0.00 0.00 0.00 178.44 179.23 3mx3 h THR 425 N 0.67 1.37 -0.70 0.22 2.02 -0.86 0.24 112.91 115.88 3mx3 h THR 425 Ca 0.17 -1.81 -0.02 0.00 0.77 0.00 0.00 66.41 65.51 3mx3 h THR 425 Cb 0.12 2.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 3mx3 h THR 425 CO -0.02 0.54 0.34 1.56 0.37 0.00 0.00 175.52 178.32 3mx3 h GLN 426 N 0.10 1.01 -0.57 6.66 1.08 -0.98 -1.18 115.11 121.23 3mx3 h GLN 426 Ca -0.03 -0.15 0.02 0.00 -1.45 0.00 0.00 58.65 57.04 3mx3 h GLN 426 Cb 1.12 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 28.34 3mx3 h GLN 426 CO 0.10 0.79 0.35 -0.09 -0.95 0.00 0.00 178.83 179.04 3mx3 h ARG 427 N 0.98 0.68 -0.07 1.46 2.43 -0.92 -0.84 114.38 118.10 3mx3 h ARG 427 Ca 0.24 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 3mx3 h ARG 427 Cb 0.11 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3mx3 h ARG 427 CO -0.03 0.45 -0.04 -0.92 -1.51 0.00 0.00 179.97 177.92 3mx3 h TYR 428 N 0.70 -0.10 -0.51 2.20 5.03 -0.58 -1.61 116.97 122.11 3mx3 h TYR 428 Ca 0.23 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.50 3mx3 h TYR 428 Cb -0.00 0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.31 3mx3 h TYR 428 CO -0.05 -0.07 0.16 -0.07 -1.32 0.00 0.00 178.16 176.81 3mx3 h LEU 429 N -0.04 0.75 -0.13 2.82 3.38 -1.06 -2.83 115.31 118.21 3mx3 h LEU 429 Ca 0.04 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3mx3 h LEU 429 Cb 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3mx3 h LEU 429 CO -0.09 0.76 0.00 0.00 0.09 0.00 0.00 178.44 179.20 3mx3 n ALA 430 N -2.37 1.76 -0.30 1.53 0.00 -0.34 -2.89 120.51 117.91 3mx3 n ALA 430 Ca 0.02 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.49 3mx3 n ALA 430 Cb 0.20 -1.30 0.19 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.66 3.19 -2.74 0.00 7.64 -0.63 -4.92 113.62 114.50 3mx3 n SER 431 Ca 0.04 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.79 3mx3 n SER 431 Cb 0.21 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 0.53 0.00 0.00 1.43 7.35 -1.14 -4.62 117.46 121.01 3mx3 n PHE 432 Ca 0.14 -0.19 0.00 0.00 -0.76 0.00 0.00 57.45 56.65 3mx3 n PHE 432 Cb 0.51 -0.46 0.00 0.00 0.35 0.00 0.00 39.48 39.88 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 3.66 0.00 -3.43 -4.13 1.13 -1.26 -5.14 117.38 108.21 3mx3 n GLN 434 Ca 0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 3mx3 n GLN 434 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 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 -0.62 -2.53 -1.67 1.08 8.25 -0.82 -4.67 115.22 114.23 3mx3 n HIS 435 Ca 0.00 1.00 -0.55 0.00 -0.26 0.00 0.00 57.72 57.91 3mx3 n HIS 435 Cb 0.00 -3.41 -0.07 0.00 1.12 0.00 0.00 29.99 27.63 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 -2.14 1.28 0.00 -0.41 -0.02 -1.26 -1.48 135.00 130.97 3mx3 n PRO 436 Ca -0.16 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3mx3 n PRO 436 Cb 0.60 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 4.66 0.00 -0.21 6.00 4.01 -1.26 -4.86 117.16 125.50 3mx3 n TYR 437 Ca 0.24 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.96 3mx3 n TYR 437 Cb 0.17 -0.32 0.19 0.00 -0.31 0.00 0.00 39.34 39.06 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 0.89 -0.50 7.72 3.32 -1.57 -0.97 116.42 125.30 3mx3 h ASP 438 Ca 0.00 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3mx3 h ASP 438 Cb 0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3mx3 h ASP 438 CO 0.00 0.74 0.28 0.58 -1.72 0.00 0.00 179.24 179.12 3mx3 h VAL 439 N 0.98 1.17 -0.82 -1.35 2.07 -1.89 0.11 116.25 116.52 3mx3 h VAL 439 Ca 0.24 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.37 3mx3 h VAL 439 Cb 0.09 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 3mx3 h VAL 439 CO -0.03 0.18 0.52 0.22 0.02 0.00 0.00 177.57 178.48 3mx3 h TYR 440 N 0.67 0.97 -0.42 1.57 3.20 -1.75 -1.21 116.97 120.00 3mx3 h TYR 440 Ca 0.18 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 3mx3 h TYR 440 Cb 0.04 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 3mx3 h TYR 440 CO -0.02 0.54 -0.03 1.88 -1.64 0.00 0.00 178.16 178.90 3mx3 h TYR 441 N 1.00 0.83 -0.43 -3.82 0.05 -0.44 -0.76 116.97 113.39 3mx3 h TYR 441 Ca 0.33 -0.15 -0.03 0.00 0.05 0.00 0.00 58.73 58.93 3mx3 h TYR 441 Cb 0.04 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.55 3mx3 h TYR 441 CO -0.03 0.84 0.16 -0.44 -1.05 0.00 0.00 178.16 177.63 3mx3 h ASP 442 N 0.58 0.56 -0.30 3.88 3.32 -0.68 -1.89 116.42 121.89 3mx3 h ASP 442 Ca 0.11 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3mx3 h ASP 442 Cb 0.52 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3mx3 h ASP 442 CO 0.03 0.53 0.03 0.22 -1.72 0.00 0.00 179.24 178.32 3mx3 h TYR 443 N 0.62 0.55 -0.63 4.55 3.20 -0.84 -0.94 116.97 123.48 3mx3 h TYR 443 Ca 0.15 -0.08 0.07 0.00 3.14 0.00 0.00 58.73 62.00 3mx3 h TYR 443 Cb 0.15 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 3mx3 h TYR 443 CO 0.01 0.62 0.31 0.00 -1.64 0.00 0.00 178.16 177.46 3mx3 h ARG 444 N 0.32 0.56 -0.35 1.82 3.08 -0.74 0.33 114.38 119.40 3mx3 h ARG 444 Ca 0.09 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3mx3 h ARG 444 Cb 0.38 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3mx3 h ARG 444 CO 0.01 0.37 0.07 -0.09 -1.07 0.00 0.00 179.97 179.26 3mx3 h ARG 445 N 0.57 0.57 0.00 0.04 2.43 -1.15 -3.37 114.38 113.48 3mx3 h ARG 445 Ca 0.29 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3mx3 h ARG 445 Cb 0.24 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3mx3 h ARG 445 CO -0.21 0.64 -0.80 0.25 -1.51 0.00 0.00 179.97 178.33 3mx3 n THR 446 N -4.59 0.00 -1.00 0.20 -2.24 -0.38 -4.91 114.28 101.36 3mx3 n THR 446 Ca -0.01 -0.25 -0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3mx3 n THR 446 Cb 0.21 0.67 -0.00 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.65 0.38 3.30 3.38 0.00 0.11 -5.02 105.19 109.00 3mx3 n GLY 447 Ca -0.00 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.75 2.08 0.83 1.61 2.02 -1.26 -3.75 117.35 117.12 3mx3 s TYR 448 Ca 0.00 -0.39 -0.11 0.00 -0.37 0.00 0.00 57.07 56.20 3mx3 s TYR 448 Cb 0.00 -1.24 0.09 0.00 -0.40 0.00 0.00 41.96 40.41 3mx3 s TYR 448 CO 0.00 0.11 1.10 -1.25 -1.57 0.00 0.00 175.55 173.94 3mx3 s PRO 449 N -1.23 1.79 0.04 -1.71 0.04 -1.26 -3.93 135.00 128.75 3mx3 s PRO 449 Ca 0.10 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 3mx3 s PRO 449 Cb -0.09 -1.84 -0.07 0.00 0.04 0.00 0.00 34.50 32.53 3mx3 s PRO 449 CO 0.02 -1.97 1.55 0.08 0.04 0.00 0.00 177.00 176.72 3mx3 s VAL 450 N -2.86 3.30 0.14 -0.36 1.01 -1.25 -5.00 120.40 115.39 3mx3 s VAL 450 Ca 0.63 0.73 0.02 0.00 0.00 0.00 0.00 61.98 63.35 3mx3 s VAL 450 Cb -0.18 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3mx3 s VAL 450 CO 0.57 -0.00 0.28 -0.76 0.00 0.00 0.00 175.10 175.19 3mx3 s LEU 451 N 2.54 4.33 -0.31 3.92 1.43 -1.26 -5.05 118.68 124.28 3mx3 s LEU 451 Ca 0.70 0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.73 3mx3 s LEU 451 Cb -0.36 -2.95 -0.00 0.00 0.03 0.00 0.00 46.19 42.90 3mx3 s LEU 451 CO 0.30 0.06 1.37 -2.16 0.23 0.00 0.00 176.35 176.16 3mx3 s PRO 452 N -3.09 3.83 -0.09 1.29 0.04 -1.26 -4.99 135.00 130.72 3mx3 s PRO 452 Ca 0.35 1.25 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 3mx3 s PRO 452 Cb -0.11 -3.93 0.02 0.00 0.04 0.00 0.00 34.50 30.52 3mx3 s PRO 452 CO 0.28 -1.23 -0.06 0.42 0.04 0.00 0.00 177.00 176.44 3mx3 s ILE 453 N 4.71 0.87 -0.28 0.56 1.01 -1.26 -4.51 121.20 122.31 3mx3 s ILE 453 Ca 0.60 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 61.04 3mx3 s ILE 453 Cb -0.17 -0.90 0.06 0.00 0.01 0.00 0.00 42.46 41.45 3mx3 s ILE 453 CO 0.26 0.33 -0.07 0.21 0.00 0.00 0.00 174.94 175.68 3mx3 s ASN 454 N 1.54 4.61 0.63 3.58 3.84 -1.26 -5.01 114.94 122.87 3mx3 s ASN 454 Ca 0.01 -1.41 0.35 0.00 0.21 0.00 0.00 52.86 52.02 3mx3 s ASN 454 Cb -0.13 -1.61 1.99 0.00 -0.55 0.00 0.00 41.25 40.95 3mx3 s ASN 454 CO -0.05 -0.23 2.22 -0.65 -2.79 0.00 0.00 177.10 175.60 3mx3 h PRO 455 N 7.83 0.00 0.00 0.43 0.11 -1.95 0.14 132.00 138.56 3mx3 h PRO 455 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 3mx3 h PRO 455 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3mx3 h PRO 455 CO 0.49 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.28 3mx3 h ALA 456 N 1.85 1.00 0.00 -0.75 0.00 -1.95 -3.36 119.26 116.05 3mx3 h ALA 456 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3mx3 h ALA 456 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3mx3 h ALA 456 CO -0.00 0.00 -1.14 0.25 0.00 0.00 0.00 179.25 178.36 3mx3 n THR 457 N -2.88 0.00 -1.69 0.00 -2.24 -0.13 -5.02 114.28 102.32 3mx3 n THR 457 Ca 0.03 -0.17 -0.44 0.00 -2.27 0.00 0.00 64.05 61.20 3mx3 n THR 457 Cb 0.43 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 69.07 3mx3 n THR 457 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3mx3 n ASN 458 N -1.63 3.66 -0.77 3.42 2.85 -0.26 -4.88 115.26 117.65 3mx3 n ASN 458 Ca -0.01 1.03 0.10 0.00 -0.11 0.00 0.00 54.58 55.59 3mx3 n ASN 458 Cb 0.15 -1.49 0.07 0.00 1.24 0.00 0.00 39.78 39.75 3mx3 n ASN 458 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3mx3 n ARG 459 N 4.73 1.80 -1.53 1.20 1.74 0.13 -4.88 116.66 119.85 3mx3 n ARG 459 Ca 0.18 -1.62 -0.37 0.00 -0.77 0.00 0.00 57.85 55.27 3mx3 n ARG 459 Cb 0.33 -1.39 0.07 0.00 -1.02 0.00 0.00 32.46 30.45 3mx3 n ARG 459 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3mx3 n ASN 460 N 1.01 0.81 -2.07 0.55 5.15 -1.17 -4.70 115.26 114.84 3mx3 n ASN 460 Ca 0.11 0.75 -0.03 0.00 -0.60 0.00 0.00 54.58 54.81 3mx3 n ASN 460 Cb 0.50 -1.42 -0.05 0.00 -0.53 0.00 0.00 39.78 38.28 3mx3 n ASN 460 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3mx3 n THR 461 N -2.09 1.19 -0.06 -0.44 -2.24 -1.26 -4.97 114.28 104.40 3mx3 n THR 461 Ca 0.14 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3mx3 n THR 461 Cb 0.48 -1.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.19 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 2.37 0.00 -0.54 3.42 3.02 -1.26 -5.13 115.26 117.14 3mx3 n ASN 463 Ca 0.12 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.80 3mx3 n ASN 463 Cb 0.34 0.00 0.40 0.00 -0.61 0.00 0.00 39.78 39.92 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 0.00 1.73 -3.69 6.41 5.75 -1.26 -3.91 116.55 121.58 3mx3 n ASP 464 Ca 0.00 -1.51 -0.12 0.00 -0.01 0.00 0.00 54.79 53.16 3mx3 n ASP 464 Cb 0.00 0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 40.07 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 -2.09 0.93 0.49 0.11 1.70 -1.26 -5.04 118.95 113.79 3mx3 s ARG 465 Ca 0.33 -0.53 -0.19 0.00 -0.47 0.00 0.00 55.73 54.88 3mx3 s ARG 465 Cb 0.20 0.41 -0.08 0.00 -0.57 0.00 0.00 34.95 34.91 3mx3 s ARG 465 CO 0.37 -0.33 1.01 -0.51 -1.08 0.00 0.00 175.30 174.75 3mx3 s LEU 466 N -2.29 3.77 0.00 -1.89 1.02 -1.26 -4.80 118.68 113.24 3mx3 s LEU 466 Ca -0.02 1.77 0.00 0.00 0.02 0.00 0.00 54.13 55.90 3mx3 s LEU 466 Cb 0.00 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.67 3mx3 s LEU 466 CO -0.06 -0.68 0.00 -0.81 0.02 0.00 0.00 176.35 174.82 3mx3 n PRO 467 N -1.16 0.12 -1.03 1.29 -0.04 -1.26 -4.99 135.00 127.93 3mx3 n PRO 467 Ca 0.08 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.19 3mx3 n PRO 467 Cb 0.53 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.07 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 -0.60 -0.01 0.00 0.54 1.85 -0.91 -5.01 116.66 112.52 3mx3 n ARG 469 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 3mx3 n ARG 469 Cb 0.00 -1.57 0.00 0.00 -1.05 0.00 0.00 32.46 29.84 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 -2.78 0.00 -4.09 2.89 8.01 0.21 -4.35 117.44 117.33 3mx3 n TRP 470 Ca 0.06 0.00 -0.26 0.00 -1.31 0.00 0.00 57.50 55.99 3mx3 n TRP 470 Cb 0.52 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.77 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 1.95 3.13 0.55 -5.99 2.02 -1.26 -4.81 117.35 112.94 3mx3 s TYR 472 Ca 0.00 -0.03 -0.21 0.00 -0.37 0.00 0.00 57.07 56.46 3mx3 s TYR 472 Cb 0.00 -1.50 -0.05 0.00 -0.40 0.00 0.00 41.96 40.01 3mx3 s TYR 472 CO 0.00 0.52 1.33 -1.25 -1.57 0.00 0.00 175.55 174.58 3mx3 s PRO 473 N -3.10 3.15 0.42 -1.71 0.04 -1.22 -4.61 135.00 127.97 3mx3 s PRO 473 Ca 0.31 2.17 0.09 0.00 0.04 0.00 0.00 61.00 63.60 3mx3 s PRO 473 Cb -0.10 -2.23 0.90 0.00 0.04 0.00 0.00 34.50 33.12 3mx3 s PRO 473 CO 0.23 -1.16 2.04 -0.22 0.04 0.00 0.00 177.00 177.93 3mx3 h LYS 474 N 1.42 0.50 -0.39 4.56 1.63 -2.00 -2.15 116.57 120.14 3mx3 h LYS 474 Ca -0.51 -0.03 0.11 0.00 -0.85 0.00 0.00 60.65 59.38 3mx3 h LYS 474 Cb 1.30 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.80 3mx3 h LYS 474 CO 0.57 0.33 0.38 0.66 -3.45 0.00 0.00 179.45 177.94 3mx3 h SER 475 N 0.52 0.00 -0.13 4.20 4.64 -1.98 -1.13 113.55 119.66 3mx3 h SER 475 Ca 0.18 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 3mx3 h SER 475 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3mx3 h SER 475 CO -0.04 0.00 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.33 3mx3 h GLU 476 N 0.00 0.58 0.00 4.77 4.39 -1.76 -0.55 114.58 122.02 3mx3 h GLU 476 Ca 0.18 -0.23 -0.13 0.00 0.34 0.00 0.00 59.36 59.52 3mx3 h GLU 476 Cb 0.94 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.54 3mx3 h GLU 476 CO -0.00 0.78 -0.64 0.77 -1.16 0.00 0.00 179.01 178.76 3mx3 h SER 477 N 0.51 0.00 -0.19 1.42 0.02 -1.38 0.40 113.55 114.33 3mx3 h SER 477 Ca 0.07 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 3mx3 h SER 477 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 3mx3 h SER 477 CO 0.05 0.64 -0.39 0.44 -1.14 0.00 0.00 176.83 176.43 3mx3 h ASP 478 N 0.00 0.68 -0.00 3.07 3.32 -1.15 -3.37 116.42 118.96 3mx3 h ASP 478 Ca -0.01 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.49 3mx3 h ASP 478 Cb 1.21 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3mx3 h ASP 478 CO 0.08 1.10 -0.00 -1.22 -1.72 0.00 0.00 179.24 177.48 3mx3 n TYR 479 N -4.26 0.00 -2.75 4.55 4.01 -0.23 -4.77 117.16 113.71 3mx3 n TYR 479 Ca -0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.65 3mx3 n TYR 479 Cb 0.53 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.63 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 -0.89 0.68 -0.17 7.72 5.15 0.09 -4.95 115.26 122.90 3mx3 n ASN 480 Ca 0.00 -2.27 -0.08 0.00 -0.60 0.00 0.00 54.58 51.64 3mx3 n ASN 480 Cb 0.00 -0.15 0.01 0.00 -0.53 0.00 0.00 39.78 39.12 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 0.63 -0.23 1.20 5.85 -1.62 -1.72 115.31 121.78 3mx3 h LEU 481 Ca -0.20 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.41 3mx3 h LEU 481 Cb 1.26 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 3mx3 h LEU 481 CO 0.17 0.57 0.14 -0.08 -0.34 0.00 0.00 178.44 178.90 3mx3 h GLU 482 N 0.64 0.28 -0.27 1.25 4.81 -1.93 0.27 114.58 119.64 3mx3 h GLU 482 Ca 0.17 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3mx3 h GLU 482 Cb 0.10 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3mx3 h GLU 482 CO -0.02 0.19 -0.11 0.45 -0.73 0.00 0.00 179.01 178.78 3mx3 h HIS 483 N 0.29 0.63 -0.86 0.92 3.86 -1.89 -0.90 115.15 117.20 3mx3 h HIS 483 Ca 0.09 -0.15 0.08 0.00 -1.16 0.00 0.00 60.37 59.23 3mx3 h HIS 483 Cb -0.01 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 28.24 3mx3 h HIS 483 CO -0.07 0.79 0.52 0.37 0.86 0.00 0.00 177.93 180.40 3mx3 h GLN 484 N 0.29 0.87 -0.24 2.45 4.15 -1.13 -1.03 115.11 120.48 3mx3 h GLN 484 Ca 0.06 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.29 3mx3 h GLN 484 Cb 0.62 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 3mx3 h GLN 484 CO 0.04 0.58 -0.45 -0.91 -1.93 0.00 0.00 178.83 176.16 3mx3 h ASN 485 N 0.90 0.64 -0.96 -0.69 2.35 -0.63 -0.49 115.58 116.70 3mx3 h ASN 485 Ca 0.40 -0.30 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 3mx3 h ASN 485 Cb 0.29 -0.18 -0.06 0.00 0.05 0.00 0.00 38.32 38.42 3mx3 h ASN 485 CO -0.22 1.00 0.63 -0.33 -1.65 0.00 0.00 177.43 176.86 3mx3 h GLU 486 N 0.48 1.17 -0.38 0.81 5.08 -0.81 -0.49 114.58 120.44 3mx3 h GLU 486 Ca 0.03 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 3mx3 h GLU 486 Cb 0.97 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3mx3 h GLU 486 CO 0.09 0.77 -0.21 0.00 -1.00 0.00 0.00 179.01 178.66 3mx3 h ALA 487 N 1.40 0.54 -0.62 3.43 0.00 -0.40 -2.33 119.26 121.28 3mx3 h ALA 487 Ca 0.39 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3mx3 h ALA 487 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3mx3 h ALA 487 CO -0.13 0.50 0.00 -0.07 0.00 0.00 0.00 179.25 179.55 3mx3 h LEU 488 N 0.61 1.06 -0.03 0.00 3.38 -0.81 -1.19 115.31 118.34 3mx3 h LEU 488 Ca 0.08 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3mx3 h LEU 488 Cb 0.76 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3mx3 h LEU 488 CO 0.06 1.11 0.01 -0.08 0.09 0.00 0.00 178.44 179.63 3mx3 h GLU 489 N 0.99 0.05 0.08 1.13 4.57 -1.02 0.20 114.58 120.59 3mx3 h GLU 489 Ca 0.17 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3mx3 h GLU 489 Cb 0.56 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 3mx3 h GLU 489 CO 0.03 0.19 -0.08 -0.09 -1.18 0.00 0.00 179.01 177.88 3mx3 h ARG 490 N -0.11 -0.18 -0.01 1.92 2.43 -1.37 -1.72 114.38 115.35 3mx3 h ARG 490 Ca 0.01 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3mx3 h ARG 490 Cb 0.16 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3mx3 h ARG 490 CO -0.00 -0.12 -0.21 1.96 -1.51 0.00 0.00 179.97 180.09 3mx3 h GLN 491 N -0.19 0.15 0.00 0.20 4.20 -1.25 -3.42 115.11 114.80 3mx3 h GLN 491 Ca 0.01 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.56 3mx3 h GLN 491 Cb 0.18 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3mx3 h GLN 491 CO -0.03 0.89 0.00 1.19 -0.67 0.00 0.00 178.83 180.21 3mx3 n PHE 492 N -4.54 0.00 -1.98 2.96 3.72 0.55 -4.97 117.46 113.20 3mx3 n PHE 492 Ca -0.10 -0.30 -0.12 0.00 -0.05 0.00 0.00 57.45 56.89 3mx3 n PHE 492 Cb 0.48 -0.03 -0.02 0.00 -0.94 0.00 0.00 39.48 38.97 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 -0.30 0.28 0.16 1.37 0.00 -0.65 -4.00 105.19 102.07 3mx3 n GLY 493 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.15 0.17 3.66 -0.02 0.00 -0.20 -4.85 105.19 102.80 3mx3 n GLY 494 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.06 5.06 -0.74 1.61 0.11 -1.26 -4.69 120.40 118.44 3mx3 s VAL 495 Ca 0.00 0.07 -0.26 0.00 -2.93 0.00 0.00 61.98 58.86 3mx3 s VAL 495 Cb 0.00 -3.31 0.04 0.00 -1.53 0.00 0.00 36.38 31.59 3mx3 s VAL 495 CO 0.00 0.43 1.22 -0.62 -3.33 0.00 0.00 175.10 172.81 3mx3 s ASP 496 N 0.50 6.19 -0.05 3.54 -1.08 -1.26 -4.82 116.67 119.69 3mx3 s ASP 496 Ca 0.05 -0.65 0.03 0.00 -0.52 0.00 0.00 52.55 51.46 3mx3 s ASP 496 Cb -0.12 -2.53 0.01 0.00 -1.46 0.00 0.00 42.92 38.82 3mx3 s ASP 496 CO 0.00 -1.72 -0.14 -0.62 0.52 0.00 0.00 175.17 173.21 3mx3 s ASP 497 N 3.81 1.85 0.16 -0.34 -1.08 -1.26 -5.01 116.67 114.79 3mx3 s ASP 497 Ca 0.33 -0.31 0.21 0.00 -0.52 0.00 0.00 52.55 52.26 3mx3 s ASP 497 Cb -0.09 -0.72 0.86 0.00 -1.46 0.00 0.00 42.92 41.51 3mx3 s ASP 497 CO 0.12 0.08 1.64 1.33 0.52 0.00 0.00 175.17 178.86 3mx3 n VAL 498 N 3.55 0.84 0.85 1.11 0.24 -1.26 -3.13 118.33 120.52 3mx3 n VAL 498 Ca -0.21 0.19 0.10 0.00 -2.04 0.00 0.00 64.34 62.38 3mx3 n VAL 498 Cb 0.52 -1.04 0.05 0.00 -1.47 0.00 0.00 33.84 31.91 3mx3 n VAL 498 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3mx3 n ASN 499 N -1.96 2.39 -4.77 -1.34 3.02 -1.26 -2.15 115.26 109.18 3mx3 n ASN 499 Ca 0.03 -1.69 -0.38 0.00 -0.03 0.00 0.00 54.58 52.51 3mx3 n ASN 499 Cb 0.23 0.17 -0.04 0.00 -0.61 0.00 0.00 39.78 39.53 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 -1.86 4.22 0.00 3.52 -0.14 -1.18 -4.98 119.74 119.32 3mx3 s LYS 500 Ca 0.21 1.64 0.00 0.00 -1.36 0.00 0.00 55.97 56.46 3mx3 s LYS 500 Cb 0.16 -2.69 0.00 0.00 -1.68 0.00 0.00 37.83 33.62 3mx3 s LYS 500 CO 0.33 -0.12 0.00 1.28 -0.76 0.00 0.00 175.35 176.09 3mx3 n LEU 501 N 0.20 0.00 -0.01 3.17 4.77 -1.26 -4.46 117.00 119.41 3mx3 n LEU 501 Ca 0.04 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.82 3mx3 n LEU 501 Cb 0.48 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.43 3mx3 n LEU 501 CO 0.48 -0.33 -0.10 -0.25 -1.33 0.00 0.00 177.39 175.86 3mx3 h TRP 503 N -0.35 0.34 0.00 -1.77 7.01 -1.97 -3.45 115.95 115.76 3mx3 h TRP 503 Ca 0.00 -0.25 -0.00 0.00 2.11 0.00 0.00 58.89 60.75 3mx3 h TRP 503 Cb 0.00 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.05 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 -0.55 0.00 -0.02 2.65 3.07 -1.96 -1.98 117.51 118.72 3mx3 h ILE 504 Ca -0.19 -0.22 0.00 0.00 1.55 0.00 0.00 64.86 66.00 3mx3 h ILE 504 Cb 1.51 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 39.29 3mx3 h ILE 504 CO 0.05 0.00 -0.17 0.18 -1.05 0.00 0.00 178.15 177.16 3mx3 n LEU 505 N -3.09 1.91 -0.11 0.16 4.77 -1.26 -4.59 117.00 114.79 3mx3 n LEU 505 Ca -0.01 -0.64 0.16 0.00 -0.03 0.00 0.00 56.01 55.48 3mx3 n LEU 505 Cb 0.17 -0.03 0.85 0.00 -2.33 0.00 0.00 43.42 42.08 3mx3 n LEU 505 CO 0.23 0.33 1.05 0.00 -1.33 0.00 0.00 177.39 177.68