#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wte s ASN 2 N 0.00 3.69 0.20 7.83 2.20 -1.26 -4.87 114.94 122.73 1wte s ASN 2 Ca 0.00 -0.20 -0.10 0.00 -0.94 0.00 0.00 52.86 51.62 1wte s ASN 2 Cb 0.00 0.03 0.20 0.00 -2.00 0.00 0.00 41.25 39.48 1wte s ASN 2 CO 0.00 -2.32 1.82 0.50 -2.94 0.00 0.00 177.10 174.16 1wte h LYS 3 N -1.05 0.70 -0.21 3.55 3.64 -2.01 -1.94 116.57 119.25 1wte h LYS 3 Ca -0.39 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 58.86 1wte h LYS 3 Cb 1.24 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1wte h LYS 3 CO 0.36 0.46 -0.24 0.37 -2.27 0.00 0.00 179.45 178.13 1wte h GLN 4 N 0.72 0.53 -0.59 1.90 4.15 -1.99 -1.77 115.11 118.05 1wte h GLN 4 Ca 0.27 -0.29 0.10 0.00 0.77 0.00 0.00 58.65 59.50 1wte h GLN 4 Cb 0.10 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.73 1wte h GLN 4 CO -0.14 0.88 0.17 0.93 -1.93 0.00 0.00 178.83 178.74 1wte h GLU 5 N 0.20 0.31 0.02 1.69 5.08 -1.88 -1.40 114.58 118.60 1wte h GLU 5 Ca 0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1wte h GLU 5 Cb 0.80 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1wte h GLU 5 CO 0.06 0.21 -0.01 0.28 -1.00 0.00 0.00 179.01 178.54 1wte h VAL 6 N 0.32 1.39 0.29 3.13 2.07 -1.28 -2.97 116.25 119.20 1wte h VAL 6 Ca 0.30 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1wte h VAL 6 Cb 0.42 2.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1wte h VAL 6 CO -0.35 0.34 -0.18 0.40 0.02 0.00 0.00 177.57 177.80 1wte h ILE 7 N -0.61 0.63 -0.69 4.57 2.04 -1.22 -0.38 117.51 121.85 1wte h ILE 7 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1wte h ILE 7 Cb 0.57 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1wte h ILE 7 CO 0.00 0.00 0.41 -0.07 0.00 0.00 0.00 178.15 178.49 1wte h LEU 8 N -0.45 0.84 -0.19 1.44 4.07 -1.37 -1.17 115.31 118.49 1wte h LEU 8 Ca -0.03 -0.07 -0.22 0.00 0.08 0.00 0.00 57.88 57.64 1wte h LEU 8 Cb 0.37 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 1wte h LEU 8 CO 0.03 0.67 -0.94 0.11 -1.08 0.00 0.00 178.44 177.23 1wte h LYS 9 N 0.95 0.37 -0.72 1.13 1.57 -1.54 -2.53 116.57 115.80 1wte h LYS 9 Ca 0.25 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1wte h LYS 9 Cb -0.01 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1wte h LYS 9 CO -0.04 1.08 0.30 0.28 -0.57 0.00 0.00 179.45 180.50 1wte h VAL 10 N 0.20 1.25 -0.49 0.50 2.07 -0.92 -2.50 116.25 116.36 1wte h VAL 10 Ca -0.07 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 66.75 1wte h VAL 10 Cb 1.57 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 1wte h VAL 10 CO 0.16 0.31 0.20 -0.61 0.02 0.00 0.00 177.57 177.64 1wte h GLN 11 N 1.02 0.38 -0.11 1.57 4.15 -1.12 0.13 115.11 121.13 1wte h GLN 11 Ca 0.24 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.67 1wte h GLN 11 Cb 0.19 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 1wte h GLN 11 CO -0.02 0.25 -0.07 1.49 -1.93 0.00 0.00 178.83 178.55 1wte h GLU 12 N 0.39 -0.06 -0.17 1.69 4.81 -1.30 0.18 114.58 120.12 1wte h GLU 12 Ca 0.23 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1wte h GLU 12 Cb 0.21 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1wte h GLU 12 CO -0.21 -0.04 0.10 0.00 -0.73 0.00 0.00 179.01 178.13 1wte h ALA 14 N 1.03 1.02 -0.32 0.00 0.00 -0.62 -1.78 119.26 118.59 1wte h ALA 14 Ca 0.06 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1wte h ALA 14 Cb 0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.42 1wte h ALA 14 CO -0.01 0.59 -0.16 0.00 0.00 0.00 0.00 179.25 179.68 1wte h ALA 15 N 1.19 0.10 -0.59 0.00 0.00 -0.43 0.06 119.26 119.59 1wte h ALA 15 Ca 0.27 0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.39 1wte h ALA 15 Cb 0.13 0.38 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1wte h ALA 15 CO -0.03 -0.54 0.22 2.35 0.00 0.00 0.00 179.25 181.24 1wte h TRP 16 N -0.11 0.38 -0.38 0.00 7.01 -1.21 -2.89 115.95 118.76 1wte h TRP 16 Ca 0.17 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 61.07 1wte h TRP 16 Cb 0.36 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1wte h TRP 16 CO -0.37 0.10 -0.27 2.35 -2.79 0.00 0.00 178.44 177.46 1wte h TRP 17 N 0.40 0.93 -0.50 2.65 7.01 -0.50 -2.38 115.95 123.56 1wte h TRP 17 Ca 0.29 -0.23 0.05 0.00 2.11 0.00 0.00 58.89 61.11 1wte h TRP 17 Cb 0.35 -0.21 -0.05 0.00 -2.10 0.00 0.00 29.16 27.15 1wte h TRP 17 CO -0.17 0.98 0.24 0.82 -2.79 0.00 0.00 178.44 177.52 1wte h ILE 18 N 0.69 0.93 -0.93 2.65 2.04 -0.84 -1.31 117.51 120.73 1wte h ILE 18 Ca 0.08 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1wte h ILE 18 Cb 0.81 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 1wte h ILE 18 CO 0.07 0.08 0.61 -0.07 0.00 0.00 0.00 178.15 178.84 1wte h LEU 19 N 0.46 1.03 -0.31 1.44 3.38 -1.27 -1.42 115.31 118.63 1wte h LEU 19 Ca 0.23 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1wte h LEU 19 Cb 0.16 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1wte h LEU 19 CO -0.18 0.72 0.18 -0.08 0.09 0.00 0.00 178.44 179.17 1wte h GLU 20 N 1.21 0.43 0.00 1.13 4.57 -0.92 -0.26 114.58 120.74 1wte h GLU 20 Ca 0.36 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.42 1wte h GLU 20 Cb -0.06 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1wte h GLU 20 CO -0.10 0.36 -0.33 0.00 -1.18 0.00 0.00 179.01 177.76 1wte h ARG 21 N 0.39 0.00 -0.42 1.92 2.47 -1.01 -2.70 114.38 115.03 1wte h ARG 21 Ca 0.11 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 58.68 1wte h ARG 21 Cb 0.05 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1wte h ARG 21 CO -0.02 0.33 -0.34 1.96 0.56 0.00 0.00 179.97 182.46 1wte h GLN 22 N 0.00 0.96 0.00 0.04 1.08 -0.64 -3.14 115.11 113.42 1wte h GLN 22 Ca -0.00 -0.48 -0.03 0.00 -1.45 0.00 0.00 58.65 56.69 1wte h GLN 22 Cb 0.67 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1wte h GLN 22 CO 0.04 1.14 -0.15 0.66 -0.95 0.00 0.00 178.83 179.58 1wte h SER 23 N 0.80 0.00 -0.89 1.46 4.64 -0.74 -0.68 113.55 118.14 1wte h SER 23 Ca 0.08 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.57 1wte h SER 23 Cb 0.93 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.91 1wte h SER 23 CO 0.09 0.15 0.47 0.50 -0.87 0.00 0.00 176.83 177.16 1wte h LYS 24 N 0.00 0.58 0.05 4.77 1.63 -1.47 0.46 116.57 122.59 1wte h LYS 24 Ca -0.00 -0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.63 1wte h LYS 24 Cb 0.32 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1wte h LYS 24 CO 0.02 0.38 -0.65 -0.07 -3.45 0.00 0.00 179.45 175.68 1wte h LEU 25 N 0.60 0.15 -0.93 5.20 3.38 -1.30 -2.15 115.31 120.25 1wte h LEU 25 Ca 0.51 -0.87 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 1wte h LEU 25 Cb 0.81 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1wte h LEU 25 CO -0.41 1.28 -0.21 0.71 0.09 0.00 0.00 178.44 179.90 1wte h THR 26 N -0.77 1.26 -0.02 0.22 1.35 -1.15 -1.99 112.91 111.82 1wte h THR 26 Ca -0.15 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1wte h THR 26 Cb 1.31 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1wte h THR 26 CO -0.01 0.39 0.00 0.29 -0.25 0.00 0.00 175.52 175.95 1wte n LYS 27 N -4.14 1.50 -3.57 4.72 5.02 0.14 -4.95 118.16 116.89 1wte n LYS 27 Ca 0.00 -0.72 -0.20 0.00 -2.02 0.00 0.00 58.31 55.37 1wte n LYS 27 Cb 0.39 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 33.99 1wte n LYS 27 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wte n LEU 28 N -0.12 -3.57 -4.44 -0.35 4.32 -0.75 -4.89 117.00 107.21 1wte n LEU 28 Ca 0.20 -0.69 -0.44 0.00 -0.02 0.00 0.00 56.01 55.06 1wte n LEU 28 Cb 0.29 -2.93 -0.03 0.00 -1.62 0.00 0.00 43.42 39.13 1wte n LEU 28 CO 0.17 0.42 0.83 -0.04 -1.22 0.00 0.00 177.39 177.55 1wte s MET 29 N -5.74 3.42 0.00 3.23 -1.94 -0.82 -4.78 119.30 112.67 1wte s MET 29 Ca 0.10 -1.53 0.09 0.00 -1.71 0.00 0.00 55.69 52.64 1wte s MET 29 Cb -0.04 -4.66 0.10 0.00 2.01 0.00 0.00 34.83 32.24 1wte s MET 29 CO 0.76 -1.73 0.86 -1.13 -0.01 0.00 0.00 175.02 173.77 1wte n SER 30 N 6.67 1.94 0.26 3.03 3.41 -1.26 -4.70 113.62 122.96 1wte n SER 30 Ca 0.13 -1.48 0.11 0.00 -0.26 0.00 0.00 58.87 57.37 1wte n SER 30 Cb 0.47 -0.03 0.70 0.00 -0.26 0.00 0.00 64.21 65.09 1wte n SER 30 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1wte h GLU 31 N 1.83 0.00 -0.04 4.33 3.07 -2.01 -2.36 114.58 119.40 1wte h GLU 31 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1wte h GLU 31 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1wte h GLU 31 CO 0.00 0.12 0.00 0.25 -1.40 0.00 0.00 179.01 177.98 1wte n THR 32 N -3.83 0.04 -3.06 1.13 -2.24 -1.26 -4.88 114.28 100.17 1wte n THR 32 Ca -0.02 -0.22 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1wte n THR 32 Cb 0.22 0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 1wte n THR 32 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1wte s MET 33 N -1.96 3.84 0.23 -0.78 0.00 -0.89 -5.06 119.30 114.69 1wte s MET 33 Ca 0.38 0.30 -0.09 0.00 0.00 0.00 0.00 55.69 56.28 1wte s MET 33 Cb 0.20 -3.76 -0.07 0.00 0.00 0.00 0.00 34.83 31.21 1wte s MET 33 CO 0.32 -0.66 0.54 -1.54 0.00 0.00 0.00 175.02 173.68 1wte s SER 34 N 1.69 6.60 -0.08 1.11 1.04 -1.26 -5.09 113.70 117.71 1wte s SER 34 Ca 0.27 0.89 0.02 0.00 0.48 0.00 0.00 55.95 57.61 1wte s SER 34 Cb -0.14 -2.21 0.01 0.00 0.10 0.00 0.00 66.02 63.78 1wte s SER 34 CO 0.13 -0.08 -0.12 -0.63 0.98 0.00 0.00 173.24 173.52 1wte s ILE 35 N -1.84 1.18 -0.48 -1.02 1.01 -1.26 -5.06 121.20 113.72 1wte s ILE 35 Ca 0.47 -0.49 -0.23 0.00 0.00 0.00 0.00 60.65 60.40 1wte s ILE 35 Cb -0.11 -1.09 0.03 0.00 0.01 0.00 0.00 42.46 41.30 1wte s ILE 35 CO 0.22 0.37 0.82 0.21 0.00 0.00 0.00 174.94 176.57 1wte s ASN 36 N 0.81 6.38 0.11 3.58 3.84 -1.26 -4.93 114.94 123.48 1wte s ASN 36 Ca -0.12 -0.23 0.22 0.00 0.21 0.00 0.00 52.86 52.95 1wte s ASN 36 Cb -0.15 -2.40 0.89 0.00 -0.55 0.00 0.00 41.25 39.04 1wte s ASN 36 CO 0.02 -1.01 1.69 -0.81 -2.79 0.00 0.00 177.10 174.20 1wte n PRO 37 N 6.91 0.11 0.15 0.43 -0.04 -1.26 -2.07 135.00 139.23 1wte n PRO 37 Ca 0.02 0.24 0.05 0.00 -0.04 0.00 0.00 63.50 63.77 1wte n PRO 37 Cb 0.48 -1.67 0.06 0.00 -0.04 0.00 0.00 33.50 32.33 1wte n PRO 37 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1wte h PHE 38 N 0.00 0.00 0.00 0.54 -1.00 -1.96 -3.35 116.94 111.18 1wte h PHE 38 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1wte h PHE 38 Cb 0.43 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.99 1wte h PHE 38 CO 0.00 0.36 -1.17 -1.33 -1.61 0.00 0.00 178.31 174.57 1wte n MET 39 N -3.16 0.35 -0.18 1.51 2.81 -0.88 -4.52 117.12 113.06 1wte n MET 39 Ca 0.02 -0.02 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1wte n MET 39 Cb 0.68 -1.60 0.08 0.00 -0.71 0.00 0.00 33.22 31.68 1wte n MET 39 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1wte h THR 40 N 0.00 0.67 -0.47 2.03 1.35 -1.68 -0.80 112.91 114.01 1wte h THR 40 Ca 0.00 -0.08 0.02 0.00 -0.55 0.00 0.00 66.41 65.80 1wte h THR 40 Cb 0.78 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 1wte h THR 40 CO 0.00 0.04 0.31 -0.65 -0.25 0.00 0.00 175.52 174.97 1wte h PRO 41 N 0.23 0.54 -0.14 4.72 0.11 -1.85 -1.39 132.00 134.22 1wte h PRO 41 Ca 0.28 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.30 1wte h PRO 41 Cb 0.40 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1wte h PRO 41 CO -0.37 0.36 -0.13 0.35 -0.21 0.00 0.00 178.00 178.00 1wte h PHE 42 N 0.56 0.41 -0.67 0.65 3.57 -1.46 -3.00 116.94 117.00 1wte h PHE 42 Ca 0.18 -0.12 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1wte h PHE 42 Cb 0.05 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 1wte h PHE 42 CO -0.00 0.72 0.13 0.82 -2.23 0.00 0.00 178.31 177.76 1wte h ILE 43 N -0.03 1.26 -0.26 1.41 1.08 -1.15 -0.71 117.51 119.11 1wte h ILE 43 Ca 0.02 -1.00 0.06 0.00 -0.39 0.00 0.00 64.86 63.55 1wte h ILE 43 Cb 0.65 0.62 -0.05 0.00 -3.07 0.00 0.00 36.82 34.97 1wte h ILE 43 CO 0.03 0.38 -0.09 0.15 -0.69 0.00 0.00 178.15 177.92 1wte h PHE 44 N 1.01 -0.22 0.15 1.37 3.57 -1.23 -2.36 116.94 119.23 1wte h PHE 44 Ca 0.21 0.03 -0.30 0.00 3.53 0.00 0.00 57.97 61.44 1wte h PHE 44 Cb 0.41 0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.29 1wte h PHE 44 CO 0.03 -0.15 -1.36 -0.44 -2.23 0.00 0.00 178.31 174.16 1wte h ASP 45 N -0.04 0.51 -0.32 0.41 5.19 -1.48 -0.95 116.42 119.74 1wte h ASP 45 Ca 0.13 -0.57 -0.03 0.00 -0.62 0.00 0.00 57.03 55.93 1wte h ASP 45 Cb 0.24 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 1wte h ASP 45 CO -0.29 1.46 0.10 0.22 -3.12 0.00 0.00 179.24 177.60 1wte h TYR 46 N 0.09 0.58 -0.56 4.55 3.20 -1.02 -2.54 116.97 121.27 1wte h TYR 46 Ca -0.18 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.65 1wte h TYR 46 Cb 2.03 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 40.12 1wte h TYR 46 CO 0.08 0.50 0.00 0.72 -1.64 0.00 0.00 178.16 177.82 1wte n HIS 47 N -4.33 1.10 -3.71 -3.82 8.25 -0.90 -5.00 115.22 106.82 1wte n HIS 47 Ca 0.02 -0.59 -0.22 0.00 -0.26 0.00 0.00 57.72 56.67 1wte n HIS 47 Cb 0.19 -0.16 0.03 0.00 1.12 0.00 0.00 29.99 31.17 1wte n HIS 47 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1wte n SER 48 N 0.91 -1.49 -4.82 0.41 7.64 -0.96 -4.95 113.62 110.36 1wte n SER 48 Ca 0.22 -0.81 -0.36 0.00 1.01 0.00 0.00 58.87 58.93 1wte n SER 48 Cb 0.74 -4.08 -0.06 0.00 -1.01 0.00 0.00 64.21 59.80 1wte n SER 48 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1wte s LEU 49 N -6.72 4.30 -0.02 -3.43 1.43 -0.37 -5.01 118.68 108.86 1wte s LEU 49 Ca 0.06 1.42 0.19 0.00 -1.03 0.00 0.00 54.13 54.77 1wte s LEU 49 Cb -0.03 -3.69 -0.29 0.00 0.03 0.00 0.00 46.19 42.21 1wte s LEU 49 CO 0.81 -0.01 0.45 0.59 0.23 0.00 0.00 176.35 178.42 1wte n ASN 50 N 0.54 0.64 -3.29 2.29 3.02 -1.26 -4.86 115.26 112.34 1wte n ASN 50 Ca -0.01 -0.08 -0.05 0.00 -0.03 0.00 0.00 54.58 54.41 1wte n ASN 50 Cb 0.51 1.80 0.01 0.00 -0.61 0.00 0.00 39.78 41.50 1wte n ASN 50 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1wte s ASP 51 N -4.09 -0.03 0.13 6.41 1.47 -1.26 -5.04 116.67 114.26 1wte s ASP 51 Ca -0.06 -0.80 -0.11 0.00 1.18 0.00 0.00 52.55 52.76 1wte s ASP 51 Cb 0.12 0.63 -0.08 0.00 -0.34 0.00 0.00 42.92 43.26 1wte s ASP 51 CO 0.79 -1.25 1.41 0.15 0.68 0.00 0.00 175.17 176.96 1wte h PHE 52 N 2.00 1.11 -0.70 2.11 3.57 -1.97 -1.95 116.94 121.10 1wte h PHE 52 Ca -0.28 -0.39 0.15 0.00 3.53 0.00 0.00 57.97 60.98 1wte h PHE 52 Cb 1.23 -0.21 -0.11 0.00 2.79 0.00 0.00 35.95 39.66 1wte h PHE 52 CO 1.18 1.22 0.15 0.22 -2.23 0.00 0.00 178.31 178.85 1wte h ASP 53 N 0.68 -0.03 -0.38 0.41 3.58 -1.97 -0.38 116.42 118.33 1wte h ASP 53 Ca 0.02 0.14 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 1wte h ASP 53 Cb 1.15 0.20 -0.02 0.00 1.72 0.00 0.00 39.33 42.38 1wte h ASP 53 CO 0.12 -0.04 0.11 -0.33 -2.88 0.00 0.00 179.24 176.22 1wte h GLU 54 N 0.25 0.67 -0.04 0.28 5.08 -1.79 -0.19 114.58 118.84 1wte h GLU 54 Ca 0.39 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1wte h GLU 54 Cb 0.65 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 1wte h GLU 54 CO -0.50 0.60 0.01 1.25 -1.00 0.00 0.00 179.01 179.37 1wte h LEU 55 N 0.65 0.05 -1.00 1.33 5.85 -0.53 -1.79 115.31 119.87 1wte h LEU 55 Ca 0.15 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1wte h LEU 55 Cb 0.24 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1wte h LEU 55 CO -0.00 0.25 0.66 0.58 -0.34 0.00 0.00 178.44 179.59 1wte h VAL 56 N -0.15 1.19 -0.34 1.05 2.07 -0.96 -1.78 116.25 117.32 1wte h VAL 56 Ca 0.01 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1wte h VAL 56 Cb 0.22 -0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 1wte h VAL 56 CO -0.00 0.23 0.22 -0.08 0.02 0.00 0.00 177.57 177.96 1wte h GLU 57 N 1.29 0.46 -0.57 1.57 4.81 -0.95 -0.05 114.58 121.14 1wte h GLU 57 Ca 0.39 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1wte h GLU 57 Cb -0.03 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1wte h GLU 57 CO -0.12 0.33 0.17 0.00 -0.73 0.00 0.00 179.01 178.66 1wte h ALA 58 N 1.10 1.22 -0.13 2.92 0.00 -0.94 -0.99 119.26 122.44 1wte h ALA 58 Ca 0.12 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1wte h ALA 58 Cb -0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1wte h ALA 58 CO -0.02 0.54 -0.21 0.82 0.00 0.00 0.00 179.25 180.38 1wte h ILE 59 N 0.83 1.37 -0.50 0.00 2.04 -1.03 -2.47 117.51 117.75 1wte h ILE 59 Ca 0.19 -1.45 0.02 0.00 1.00 0.00 0.00 64.86 64.62 1wte h ILE 59 Cb 0.26 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1wte h ILE 59 CO -0.01 0.43 0.31 0.40 0.00 0.00 0.00 178.15 179.28 1wte h ILE 60 N -0.02 1.08 -0.02 -0.67 2.04 -0.93 -1.29 117.51 117.71 1wte h ILE 60 Ca 0.01 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1wte h ILE 60 Cb 0.78 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1wte h ILE 60 CO 0.05 0.11 -0.05 0.00 0.00 0.00 0.00 178.15 178.26 1wte h ALA 61 N 1.21 -0.04 -0.66 1.87 0.00 -1.16 0.65 119.26 121.14 1wte h ALA 61 Ca 0.19 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.23 1wte h ALA 61 Cb -0.02 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 1wte h ALA 61 CO -0.07 -0.54 0.24 -0.22 0.00 0.00 0.00 179.25 178.66 1wte h LYS 62 N -0.08 0.39 -0.47 0.00 1.63 -1.38 -1.30 116.57 115.37 1wte h LYS 62 Ca 0.03 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1wte h LYS 62 Cb 0.12 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 1wte h LYS 62 CO -0.07 0.26 0.18 1.25 -3.45 0.00 0.00 179.45 177.62 1wte h HIS 63 N 0.40 0.72 -0.43 1.91 2.76 -0.62 -1.82 115.15 118.08 1wte h HIS 63 Ca 0.34 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.45 1wte h HIS 63 Cb 0.47 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 1wte h HIS 63 CO -0.18 0.62 0.26 -0.07 -1.30 0.00 0.00 177.93 177.26 1wte h LEU 64 N 0.62 0.52 -0.66 0.26 3.38 -0.63 -1.39 115.31 117.39 1wte h LEU 64 Ca 0.15 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1wte h LEU 64 Cb 0.22 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1wte h LEU 64 CO -0.01 0.42 0.43 0.24 0.09 0.00 0.00 178.44 179.61 1wte h MET 65 N 0.57 0.84 -0.26 1.13 2.86 -0.96 0.61 114.93 119.71 1wte h MET 65 Ca 0.15 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1wte h MET 65 Cb -0.00 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 1wte h MET 65 CO -0.03 0.55 0.12 1.15 1.06 0.00 0.00 176.91 179.77 1wte h THR 66 N 0.86 0.98 -0.96 2.22 2.02 -1.12 -1.93 112.91 114.99 1wte h THR 66 Ca 0.25 -0.09 0.06 0.00 0.77 0.00 0.00 66.41 67.40 1wte h THR 66 Cb -0.05 0.69 -0.06 0.00 -1.74 0.00 0.00 68.15 66.99 1wte h THR 66 CO -0.07 0.05 0.62 1.23 0.37 0.00 0.00 175.52 177.72 1wte h GLY 67 N 0.26 1.43 0.95 2.16 0.00 -0.93 -1.93 103.07 105.01 1wte h GLY 67 Ca 0.11 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1wte h GLY 67 CO -0.08 0.34 0.03 0.45 0.00 0.00 0.00 176.54 177.28 1wte h HIS 68 N 1.13 0.77 -0.46 5.60 3.86 -0.39 -1.03 115.15 124.65 1wte h HIS 68 Ca 0.41 -0.12 -0.04 0.00 -1.16 0.00 0.00 60.37 59.46 1wte h HIS 68 Cb 0.14 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1wte h HIS 68 CO -0.00 0.77 0.14 -0.44 0.86 0.00 0.00 177.93 179.25 1wte h ASP 69 N 0.56 0.67 0.07 2.45 3.32 -1.12 -0.93 116.42 121.45 1wte h ASP 69 Ca 0.12 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1wte h ASP 69 Cb 0.44 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1wte h ASP 69 CO 0.02 0.70 -0.03 0.74 -1.72 0.00 0.00 179.24 178.94 1wte h THR 70 N 0.60 1.03 -0.35 0.35 2.02 -1.30 -2.12 112.91 113.13 1wte h THR 70 Ca 0.15 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 1wte h THR 70 Cb 0.27 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1wte h THR 70 CO -0.00 0.08 -0.04 1.23 0.37 0.00 0.00 175.52 177.16 1wte h GLY 71 N -0.24 0.62 0.94 2.16 0.00 -1.13 -2.23 103.07 103.18 1wte h GLY 71 Ca -0.01 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1wte h GLY 71 CO 0.02 0.37 -0.12 -2.75 0.00 0.00 0.00 176.54 174.05 1wte h PHE 72 N 0.54 0.77 -0.81 5.60 3.57 -1.05 0.10 116.94 125.67 1wte h PHE 72 Ca 0.11 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 1wte h PHE 72 Cb 0.41 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1wte h PHE 72 CO 0.02 0.86 0.38 0.78 -2.23 0.00 0.00 178.31 178.12 1wte h GLY 73 N 0.45 1.26 1.24 2.40 0.00 -1.20 -1.60 103.07 105.62 1wte h GLY 73 Ca 0.08 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1wte h GLY 73 CO 0.04 0.60 0.36 0.50 0.00 0.00 0.00 176.54 178.05 1wte h LYS 74 N 1.15 0.99 -0.13 4.80 1.57 -1.22 -2.63 116.57 121.10 1wte h LYS 74 Ca 0.28 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1wte h LYS 74 Cb 0.14 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1wte h LYS 74 CO -0.03 0.74 0.06 1.25 -0.57 0.00 0.00 179.45 180.90 1wte h LEU 75 N 0.99 0.17 -0.57 2.94 5.85 0.02 0.13 115.31 124.84 1wte h LEU 75 Ca 0.25 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1wte h LEU 75 Cb 0.06 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1wte h LEU 75 CO -0.04 0.24 0.37 0.40 -0.34 0.00 0.00 178.44 179.07 1wte h ILE 76 N 0.09 1.15 0.06 4.05 1.08 -1.28 -1.31 117.51 121.35 1wte h ILE 76 Ca 0.05 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1wte h ILE 76 Cb 0.12 0.34 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 1wte h ILE 76 CO -0.01 0.15 -0.03 -0.78 -0.69 0.00 0.00 178.15 176.80 1wte h ASP 77 N 0.77 -0.07 0.58 1.72 -0.00 -1.34 -0.98 116.42 117.10 1wte h ASP 77 Ca 0.21 -0.55 -0.17 0.00 -0.00 0.00 0.00 57.03 56.52 1wte h ASP 77 Cb -0.07 0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 39.25 1wte h ASP 77 CO -0.04 0.56 -1.55 -0.62 -0.00 0.00 0.00 179.24 177.58 1wte n GLU 78 N -4.82 0.63 0.00 0.28 1.02 0.43 -4.33 120.64 113.85 1wte n GLU 78 Ca -0.08 0.16 -0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1wte n GLU 78 Cb 0.30 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 29.96 1wte n GLU 78 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wte n LYS 79 N -2.82 0.14 -0.04 3.49 4.76 -0.68 -4.69 118.16 118.32 1wte n LYS 79 Ca -0.11 0.06 -0.12 0.00 -2.87 0.00 0.00 58.31 55.26 1wte n LYS 79 Cb 0.85 -0.74 -0.07 0.00 -1.84 0.00 0.00 35.03 33.23 1wte n LYS 79 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1wte h ILE 80 N -0.26 1.28 0.23 -0.18 2.04 -1.29 0.33 117.51 119.65 1wte h ILE 80 Ca -0.04 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.87 1wte h ILE 80 Cb 0.46 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1wte h ILE 80 CO -0.03 0.27 -0.11 -0.07 0.00 0.00 0.00 178.15 178.22 1wte h LEU 81 N -0.06 -0.26 -0.13 1.44 4.07 -1.36 0.71 115.31 119.71 1wte h LEU 81 Ca 0.03 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 1wte h LEU 81 Cb 0.43 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.23 1wte h LEU 81 CO 0.01 -0.18 -0.05 -0.65 -1.08 0.00 0.00 178.44 176.49 1wte h PRO 82 N -0.30 0.26 0.01 1.13 0.11 -1.70 -1.12 132.00 130.39 1wte h PRO 82 Ca -0.03 -0.11 -0.20 0.00 0.11 0.00 0.00 66.00 65.77 1wte h PRO 82 Cb 0.23 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 1wte h PRO 82 CO 0.05 0.58 -0.91 0.00 -0.21 0.00 0.00 178.00 177.51 1wte h ARG 83 N -0.07 0.19 0.05 1.05 3.08 -0.90 -1.09 114.38 116.69 1wte h ARG 83 Ca 0.03 -0.21 -0.38 0.00 0.07 0.00 0.00 59.98 59.49 1wte h ARG 83 Cb 0.49 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 1wte h ARG 83 CO 0.02 0.97 -2.23 0.28 -1.07 0.00 0.00 179.97 177.94 1wte n VAL 84 N -3.63 1.62 0.69 2.04 0.31 0.23 -4.57 118.33 115.03 1wte n VAL 84 Ca -0.04 -0.57 0.08 0.00 -0.01 0.00 0.00 64.34 63.80 1wte n VAL 84 Cb 0.83 -1.60 0.03 0.00 -0.91 0.00 0.00 33.84 32.18 1wte n VAL 84 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1wte n PHE 85 N -3.46 0.00 -1.32 3.52 3.72 -0.47 -4.89 117.46 114.57 1wte n PHE 85 Ca -0.40 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 56.90 1wte n PHE 85 Cb 1.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.50 1wte n PHE 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wte n GLY 86 N 1.04 1.08 3.77 1.37 0.00 -0.41 -4.96 105.19 107.08 1wte n GLY 86 Ca 0.08 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.13 1wte n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wte s ALA 87 N -2.37 3.23 -0.33 4.61 0.00 -0.98 -4.84 121.76 121.08 1wte s ALA 87 Ca 0.00 1.04 -0.19 0.00 0.00 0.00 0.00 51.96 52.80 1wte s ALA 87 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1wte s ALA 87 CO 0.00 -0.56 0.58 0.71 0.00 0.00 0.00 175.76 176.50 1wte s TYR 88 N -1.34 3.19 0.17 0.00 1.51 -0.58 -4.07 117.35 116.23 1wte s TYR 88 Ca 0.55 0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 56.69 1wte s TYR 88 Cb -0.33 -2.99 -0.07 0.00 -0.11 0.00 0.00 41.96 38.46 1wte s TYR 88 CO 0.42 -0.53 0.98 0.21 -1.11 0.00 0.00 175.55 175.52 1wte s LYS 89 N 2.55 4.73 -1.32 -0.62 2.47 -1.26 -0.89 119.74 125.39 1wte s LYS 89 Ca 0.22 1.52 -0.12 0.00 -1.56 0.00 0.00 55.97 56.03 1wte s LYS 89 Cb -0.15 -3.32 0.12 0.00 -1.46 0.00 0.00 37.83 33.02 1wte s LYS 89 CO 0.13 0.29 1.88 1.28 0.16 0.00 0.00 175.35 179.09 1wte n LEU 90 N 2.26 6.29 0.00 5.43 4.32 -0.59 -4.73 117.00 129.99 1wte n LEU 90 Ca 0.01 -4.40 -0.16 0.00 -0.02 0.00 0.00 56.01 51.44 1wte n LEU 90 Cb 0.48 -1.58 0.08 0.00 -1.62 0.00 0.00 43.42 40.78 1wte n LEU 90 CO 0.51 1.07 0.38 -0.90 -1.22 0.00 0.00 177.39 177.24 1wte n ASP 91 N 5.23 0.87 -0.04 -1.43 5.68 -1.26 -4.81 116.55 120.79 1wte n ASP 91 Ca 0.43 -1.75 -0.09 0.00 -0.50 0.00 0.00 54.79 52.89 1wte n ASP 91 Cb 0.39 -0.44 -0.02 0.00 -1.14 0.00 0.00 41.12 39.90 1wte n ASP 91 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1wte h LYS 92 N 0.00 0.13 -0.24 0.11 3.64 -1.99 -1.23 116.57 116.99 1wte h LYS 92 Ca -0.22 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1wte h LYS 92 Cb 0.82 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1wte h LYS 92 CO 0.24 0.09 0.11 1.03 -2.27 0.00 0.00 179.45 178.65 1wte h SER 93 N 0.14 0.33 -0.29 4.20 0.87 -1.96 -2.15 113.55 114.68 1wte h SER 93 Ca 0.09 -0.14 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1wte h SER 93 Cb 0.08 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1wte h SER 93 CO -0.12 0.37 0.16 0.22 -0.53 0.00 0.00 176.83 176.94 1wte h TYR 94 N 0.26 0.30 -0.64 2.24 3.20 -1.79 -2.50 116.97 118.04 1wte h TYR 94 Ca 0.08 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 1wte h TYR 94 Cb 0.14 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1wte h TYR 94 CO -0.02 0.17 0.18 0.00 -1.64 0.00 0.00 178.16 176.85 1wte h ARG 95 N 0.33 0.98 -0.14 1.82 3.08 -1.10 -1.33 114.38 118.01 1wte h ARG 95 Ca 0.12 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 1wte h ARG 95 Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1wte h ARG 95 CO -0.07 0.86 -0.29 0.00 -1.07 0.00 0.00 179.97 179.40 1wte h ALA 96 N 1.25 1.25 0.00 0.04 0.00 -1.31 -3.24 119.26 117.25 1wte h ALA 96 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wte h ALA 96 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1wte h ALA 96 CO -0.00 0.50 -0.98 0.00 0.00 0.00 0.00 179.25 178.76 1wte n ALA 97 N -2.48 3.04 -3.94 0.00 0.00 -0.95 -4.79 120.51 111.39 1wte n ALA 97 Ca -0.01 -0.33 -0.30 0.00 0.00 0.00 0.00 53.44 52.79 1wte n ALA 97 Cb 0.39 -1.04 -0.15 0.00 0.00 0.00 0.00 19.45 18.65 1wte n ALA 97 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wte s ASN 98 N -4.37 4.07 0.45 0.00 0.01 -0.54 -5.09 114.94 109.46 1wte s ASN 98 Ca 0.03 -1.40 -0.25 0.00 -0.71 0.00 0.00 52.86 50.52 1wte s ASN 98 Cb 0.13 -1.24 -0.08 0.00 0.41 0.00 0.00 41.25 40.47 1wte s ASN 98 CO 0.79 -0.28 1.38 -1.61 -1.51 0.00 0.00 177.10 175.87 1wte s GLU 99 N 1.32 3.72 -0.44 -0.60 2.02 -1.26 -1.46 118.70 121.99 1wte s GLU 99 Ca -0.02 2.31 0.02 0.00 0.02 0.00 0.00 54.97 57.31 1wte s GLU 99 Cb -0.19 -2.64 0.55 0.00 0.10 0.00 0.00 34.13 31.95 1wte s GLU 99 CO -0.09 -0.75 1.86 -0.35 0.02 0.00 0.00 175.26 175.95 1wte n PRO 100 N -0.18 2.18 0.00 0.39 -0.04 -1.26 -5.01 135.00 131.08 1wte n PRO 100 Ca 0.05 -2.70 0.06 0.00 -0.04 0.00 0.00 63.50 60.88 1wte n PRO 100 Cb 0.43 -2.06 0.34 0.00 -0.04 0.00 0.00 33.50 32.17 1wte n PRO 100 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1wte n PHE 101 N -0.88 0.00 0.34 0.54 3.01 -0.54 -2.54 117.46 117.40 1wte n PHE 101 Ca 0.53 0.00 0.14 0.00 1.01 0.00 0.00 57.45 59.13 1wte n PHE 101 Cb 1.34 -0.20 0.39 0.00 -0.01 0.00 0.00 39.48 41.00 1wte n PHE 101 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 1wte h ILE 102 N 0.00 0.00 -3.86 4.37 6.09 -1.76 -3.44 117.51 118.91 1wte h ILE 102 Ca 0.00 -0.67 -0.51 0.00 -1.37 0.00 0.00 64.86 62.31 1wte h ILE 102 Cb 0.08 1.64 0.04 0.00 0.47 0.00 0.00 36.82 39.05 1wte h ILE 102 CO 0.00 0.00 0.52 -1.00 -3.07 0.00 0.00 178.15 174.60 1wte s HIS 103 N -3.32 3.32 -0.04 2.19 3.76 -1.05 -4.90 115.29 115.25 1wte s HIS 103 Ca 0.06 1.59 0.27 0.00 -0.15 0.00 0.00 55.06 56.83 1wte s HIS 103 Cb 0.08 -3.41 1.43 0.00 1.11 0.00 0.00 32.58 31.79 1wte s HIS 103 CO 0.59 -1.06 1.83 -1.35 -0.85 0.00 0.00 174.74 173.89 1wte h PRO 104 N 3.39 0.00 0.00 8.40 0.11 -1.92 -1.63 132.00 140.35 1wte h PRO 104 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1wte h PRO 104 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1wte h PRO 104 CO 0.65 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.43 1wte n PHE 106 N -3.25 0.00 0.11 0.00 3.01 -0.61 -3.93 117.46 112.78 1wte n PHE 106 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.57 1wte n PHE 106 Cb 0.13 -0.06 0.64 0.00 -0.01 0.00 0.00 39.48 40.18 1wte n PHE 106 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1wte h ASP 107 N 0.56 0.06 -0.07 4.37 3.32 -1.47 -1.70 116.42 121.49 1wte h ASP 107 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wte h ASP 107 Cb 0.19 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1wte h ASP 107 CO 0.00 0.04 0.00 -0.62 -1.72 0.00 0.00 179.24 176.94 1wte n GLU 108 N -4.46 1.59 -3.80 3.56 -0.58 -1.25 -4.83 120.64 110.85 1wte n GLU 108 Ca 0.04 -0.87 -0.36 0.00 -0.42 0.00 0.00 57.16 55.54 1wte n GLU 108 Cb 0.33 -1.43 -0.13 0.00 -0.57 0.00 0.00 31.44 29.64 1wte n GLU 108 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1wte s ILE 109 N -1.91 4.23 -0.01 -3.67 -1.09 -0.64 -4.61 121.20 113.49 1wte s ILE 109 Ca 0.36 -0.20 -0.18 0.00 -2.23 0.00 0.00 60.65 58.40 1wte s ILE 109 Cb 0.19 -2.97 -0.34 0.00 -1.58 0.00 0.00 42.46 37.77 1wte s ILE 109 CO 0.30 0.36 0.93 0.44 -1.23 0.00 0.00 174.94 175.74 1wte h ASP 110 N 8.11 0.70 -5.06 3.58 3.32 -0.70 -3.43 116.42 122.93 1wte h ASP 110 Ca -0.38 -0.93 -0.12 0.00 0.02 0.00 0.00 57.03 55.62 1wte h ASP 110 Cb 1.17 -0.23 -0.18 0.00 0.22 0.00 0.00 39.33 40.32 1wte h ASP 110 CO 0.59 1.61 -0.43 -1.00 -1.72 0.00 0.00 179.24 178.28 1wte s HIS 111 N -2.53 0.08 -0.21 4.55 3.76 -0.75 -1.54 115.29 118.64 1wte s HIS 111 Ca -0.11 -0.30 -0.09 0.00 -0.15 0.00 0.00 55.06 54.41 1wte s HIS 111 Cb 0.03 -0.05 -0.04 0.00 1.11 0.00 0.00 32.58 33.62 1wte s HIS 111 CO 0.90 -0.40 0.10 0.08 -0.85 0.00 0.00 174.74 174.57 1wte s VAL 112 N -2.42 5.05 -0.22 -0.90 1.01 -0.07 -0.56 120.40 122.29 1wte s VAL 112 Ca -0.06 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 1wte s VAL 112 Cb -0.02 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1wte s VAL 112 CO -0.03 0.42 0.08 -0.63 0.00 0.00 0.00 175.10 174.93 1wte s ILE 113 N 0.63 4.61 -0.32 2.22 -1.09 0.58 -1.52 121.20 126.31 1wte s ILE 113 Ca 0.06 -0.08 -0.08 0.00 -2.23 0.00 0.00 60.65 58.32 1wte s ILE 113 Cb -0.13 -3.12 0.02 0.00 -1.58 0.00 0.00 42.46 37.65 1wte s ILE 113 CO 0.01 0.38 0.12 -1.10 -1.23 0.00 0.00 174.94 173.12 1wte s GLN 114 N 1.08 2.98 0.34 2.79 -0.21 -1.26 -1.61 119.66 123.76 1wte s GLN 114 Ca 0.04 -0.94 -0.11 0.00 0.02 0.00 0.00 55.36 54.37 1wte s GLN 114 Cb -0.14 -3.47 -0.07 0.00 1.00 0.00 0.00 33.01 30.32 1wte s GLN 114 CO 0.03 -0.53 0.70 1.03 -2.12 0.00 0.00 175.29 174.41 1wte s ARG 115 N 1.50 3.84 0.62 2.91 1.81 -0.43 -4.98 118.95 124.23 1wte s ARG 115 Ca 0.02 0.45 0.39 0.00 -1.72 0.00 0.00 55.73 54.88 1wte s ARG 115 Cb -0.18 -2.47 2.08 0.00 -0.45 0.00 0.00 34.95 33.93 1wte s ARG 115 CO 0.04 0.10 2.26 -0.44 -0.68 0.00 0.00 175.30 176.58 1wte h ASP 116 N 1.80 0.00 -0.30 0.23 3.32 -1.98 -1.50 116.42 117.99 1wte h ASP 116 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1wte h ASP 116 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1wte h ASP 116 CO 0.65 0.01 0.00 -0.90 -1.72 0.00 0.00 179.24 177.29 1wte n ASP 117 N -3.21 2.05 0.00 6.45 5.68 -1.26 -4.93 116.55 121.32 1wte n ASP 117 Ca -0.02 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 1wte n ASP 117 Cb 0.13 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.92 1wte n ASP 117 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wte n GLY 118 N 1.17 1.39 3.77 6.12 0.00 -0.56 -5.06 105.19 112.01 1wte n GLY 118 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1wte n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wte s ARG 119 N -0.91 4.06 -0.17 1.61 0.52 -1.26 -4.83 118.95 117.97 1wte s ARG 119 Ca 0.00 2.12 0.00 0.00 -0.52 0.00 0.00 55.73 57.33 1wte s ARG 119 Cb 0.00 -2.81 0.01 0.00 0.52 0.00 0.00 34.95 32.67 1wte s ARG 119 CO 0.00 -0.41 -0.16 0.42 0.02 0.00 0.00 175.30 175.17 1wte s ILE 120 N -1.26 2.48 -0.11 1.52 1.01 -1.26 -1.32 121.20 122.27 1wte s ILE 120 Ca 0.55 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1wte s ILE 120 Cb -0.37 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.04 1wte s ILE 120 CO 0.48 0.52 -0.19 -1.61 0.00 0.00 0.00 174.94 174.14 1wte s GLU 121 N 1.02 3.12 0.11 2.79 2.02 -0.64 -0.06 118.70 127.07 1wte s GLU 121 Ca -0.02 -0.79 -0.22 0.00 0.02 0.00 0.00 54.97 53.96 1wte s GLU 121 Cb -0.15 -2.44 -0.07 0.00 0.10 0.00 0.00 34.13 31.58 1wte s GLU 121 CO -0.04 0.24 0.67 -0.51 0.02 0.00 0.00 175.26 175.64 1wte s LEU 122 N 0.24 4.55 -0.10 1.80 1.43 -0.49 -0.31 118.68 125.81 1wte s LEU 122 Ca -0.12 1.44 0.04 0.00 -1.03 0.00 0.00 54.13 54.46 1wte s LEU 122 Cb -0.16 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 42.97 1wte s LEU 122 CO 0.07 0.23 -0.24 -0.22 0.23 0.00 0.00 176.35 176.42 1wte s LEU 123 N -1.06 2.09 -0.27 1.79 2.96 0.27 -0.85 118.68 123.61 1wte s LEU 123 Ca 0.32 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 1wte s LEU 123 Cb -0.21 -1.41 0.06 0.00 0.50 0.00 0.00 46.19 45.14 1wte s LEU 123 CO 0.22 0.16 -0.08 -0.55 -1.32 0.00 0.00 176.35 174.78 1wte s SER 124 N 0.35 4.53 -0.12 3.68 0.15 -0.40 0.02 113.70 121.91 1wte s SER 124 Ca -0.19 -1.49 -0.06 0.00 0.70 0.00 0.00 55.95 54.92 1wte s SER 124 Cb -0.18 -1.58 -0.04 0.00 -1.71 0.00 0.00 66.02 62.52 1wte s SER 124 CO 0.09 -0.22 0.09 -0.22 1.20 0.00 0.00 173.24 174.17 1wte s LEU 125 N 1.09 4.07 0.09 3.45 2.96 -1.26 -1.11 118.68 127.97 1wte s LEU 125 Ca -0.06 0.32 0.05 0.00 -0.22 0.00 0.00 54.13 54.22 1wte s LEU 125 Cb -0.20 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1wte s LEU 125 CO -0.05 0.37 -0.13 -0.54 -1.32 0.00 0.00 176.35 174.68 1wte s LYS 126 N -0.80 0.86 0.03 1.98 -0.14 0.41 -4.93 119.74 117.15 1wte s LYS 126 Ca 0.13 -1.07 -0.25 0.00 -1.36 0.00 0.00 55.97 53.42 1wte s LYS 126 Cb -0.12 -0.74 -0.18 0.00 -1.68 0.00 0.00 37.83 35.11 1wte s LYS 126 CO 0.03 0.15 1.47 0.00 -0.76 0.00 0.00 175.35 176.23 1wte h ALA 127 N 3.91 -0.01 -2.43 5.17 0.00 -1.95 -1.44 119.26 122.51 1wte h ALA 127 Ca -0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1wte h ALA 127 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1wte h ALA 127 CO 0.46 -0.37 0.13 0.41 0.00 0.00 0.00 179.25 179.88 1wte n GLY 128 N -0.34 1.53 0.22 0.00 0.00 -1.26 -1.39 105.19 103.96 1wte n GLY 128 Ca -0.08 -1.12 0.07 0.00 0.00 0.00 0.00 46.02 44.90 1wte n GLY 128 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1wte h LYS 129 N 0.00 0.00 -0.00 1.61 2.10 -1.90 -2.82 116.57 115.55 1wte h LYS 129 Ca -0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 1wte h LYS 129 Cb 0.55 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 1wte h LYS 129 CO 0.19 0.23 -0.44 0.91 -2.00 0.00 0.00 179.45 178.33 1wte n TRP 130 N -3.93 0.00 -0.13 0.07 5.03 -1.26 -4.25 117.44 112.98 1wte n TRP 130 Ca -0.02 0.00 -0.00 0.00 3.03 0.00 0.00 57.50 60.51 1wte n TRP 130 Cb 0.31 -0.18 0.26 0.00 -1.03 0.00 0.00 31.31 30.66 1wte n TRP 130 CO 0.00 0.00 0.00 1.15 -0.03 0.00 0.00 177.69 178.81 1wte h THR 131 N 0.49 1.19 -3.27 -0.99 2.02 -1.92 -3.42 112.91 107.03 1wte h THR 131 Ca 0.00 -0.56 -0.65 0.00 0.77 0.00 0.00 66.41 65.97 1wte h THR 131 Cb 0.51 0.48 -0.11 0.00 -1.74 0.00 0.00 68.15 67.29 1wte h THR 131 CO 0.00 0.23 -0.63 0.27 0.37 0.00 0.00 175.52 175.76 1wte s ILE 132 N -5.45 4.29 0.06 3.11 -4.36 -1.26 -5.09 121.20 112.51 1wte s ILE 132 Ca -0.10 -0.83 0.00 0.00 -0.26 0.00 0.00 60.65 59.46 1wte s ILE 132 Cb 0.17 -3.04 -0.00 0.00 1.25 0.00 0.00 42.46 40.84 1wte s ILE 132 CO 0.78 0.16 0.00 0.00 0.24 0.00 0.00 174.94 176.12 1wte n GLN 133 N 0.62 1.79 -0.02 0.37 0.00 -1.26 -4.96 117.38 113.93 1wte n GLN 133 Ca -0.10 -0.47 -0.11 0.00 0.00 0.00 0.00 57.00 56.32 1wte n GLN 133 Cb 0.52 0.13 -0.05 0.00 0.00 0.00 0.00 30.24 30.84 1wte n GLN 133 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 1wte h LEU 134 N 0.00 0.16 -0.55 2.61 5.85 -1.99 -0.91 115.31 120.47 1wte h LEU 134 Ca -0.05 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.75 1wte h LEU 134 Cb 0.16 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1wte h LEU 134 CO 0.09 0.11 0.15 0.74 -0.34 0.00 0.00 178.44 179.19 1wte h THR 135 N 0.18 0.73 -0.43 1.05 2.02 -2.00 -1.51 112.91 112.95 1wte h THR 135 Ca 0.05 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 67.03 1wte h THR 135 Cb -0.02 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1wte h THR 135 CO -0.01 0.06 -0.10 0.24 0.37 0.00 0.00 175.52 176.08 1wte h MET 136 N 0.31 0.83 -0.85 6.66 2.86 -1.89 -2.44 114.93 120.40 1wte h MET 136 Ca 0.28 -0.31 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1wte h MET 136 Cb 0.37 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1wte h MET 136 CO -0.33 0.94 0.56 0.00 1.06 0.00 0.00 176.91 179.14 1wte h ALA 137 N 0.86 1.10 -0.33 6.32 0.00 -0.43 0.44 119.26 127.22 1wte h ALA 137 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1wte h ALA 137 Cb 0.63 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1wte h ALA 137 CO 0.04 0.44 0.04 0.28 0.00 0.00 0.00 179.25 180.05 1wte h VAL 138 N 1.11 1.24 -0.66 0.00 2.07 -1.21 -1.39 116.25 117.41 1wte h VAL 138 Ca 0.33 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1wte h VAL 138 Cb -0.06 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1wte h VAL 138 CO -0.09 0.28 0.27 -0.61 0.02 0.00 0.00 177.57 177.45 1wte h GLN 139 N 0.37 0.98 -0.45 1.57 5.75 -1.12 -1.24 115.11 120.97 1wte h GLN 139 Ca 0.10 -0.17 0.04 0.00 -0.15 0.00 0.00 58.65 58.46 1wte h GLN 139 Cb 0.37 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 1wte h GLN 139 CO 0.01 0.81 0.23 -0.07 -2.65 0.00 0.00 178.83 177.16 1wte h LEU 140 N 0.93 0.33 -0.67 -2.39 3.38 -0.76 -1.68 115.31 114.45 1wte h LEU 140 Ca 0.22 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.32 1wte h LEU 140 Cb 0.19 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.83 1wte h LEU 140 CO -0.02 0.23 0.28 -1.13 0.09 0.00 0.00 178.44 177.89 1wte h ASN 141 N 0.45 0.30 -0.36 -0.43 -0.73 -0.84 -0.95 115.58 113.02 1wte h ASN 141 Ca 0.20 0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.44 1wte h ASN 141 Cb 0.10 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 1wte h ASN 141 CO -0.14 0.16 0.20 0.50 -0.37 0.00 0.00 177.43 177.79 1wte h LYS 142 N 0.47 0.49 -0.09 6.67 3.64 -0.93 -0.82 116.57 126.01 1wte h LYS 142 Ca 0.34 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1wte h LYS 142 Cb 0.43 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1wte h LYS 142 CO -0.32 0.40 0.01 0.00 -2.27 0.00 0.00 179.45 177.27 1wte h ALA 143 N 1.07 0.11 -0.53 5.00 0.00 -1.12 -2.50 119.26 121.30 1wte h ALA 143 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wte h ALA 143 Cb 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1wte h ALA 143 CO -0.02 -0.24 0.28 0.74 0.00 0.00 0.00 179.25 180.01 1wte h PHE 144 N -0.10 0.73 -0.87 0.00 0.05 -1.09 -2.63 116.94 113.03 1wte h PHE 144 Ca 0.03 -0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.79 1wte h PHE 144 Cb 0.29 -0.23 -0.04 0.00 2.00 0.00 0.00 35.95 37.96 1wte h PHE 144 CO 0.02 0.55 0.52 1.25 -0.18 0.00 0.00 178.31 180.46 1wte h HIS 145 N 0.70 1.15 -0.52 -0.55 2.76 -1.12 -0.77 115.15 116.80 1wte h HIS 145 Ca 0.18 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1wte h HIS 145 Cb 0.06 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 28.62 1wte h HIS 145 CO -0.01 0.77 0.20 1.49 -1.30 0.00 0.00 177.93 179.07 1wte h GLU 146 N 1.20 0.79 0.25 5.26 4.81 -1.30 -0.86 114.58 124.73 1wte h GLU 146 Ca 0.31 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1wte h GLU 146 Cb -0.05 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 1wte h GLU 146 CO -0.06 0.70 -0.14 0.82 -0.73 0.00 0.00 179.01 179.61 1wte h ILE 147 N 0.70 0.71 -0.74 2.32 2.04 -1.20 0.25 117.51 121.60 1wte h ILE 147 Ca 0.17 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.06 1wte h ILE 147 Cb 0.22 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1wte h ILE 147 CO -0.01 0.00 0.47 0.40 0.00 0.00 0.00 178.15 179.00 1wte h ILE 148 N -0.36 1.11 0.04 -0.67 2.04 -0.97 0.20 117.51 118.90 1wte h ILE 148 Ca -0.03 -0.31 -0.31 0.00 1.00 0.00 0.00 64.86 65.21 1wte h ILE 148 Cb 0.29 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1wte h ILE 148 CO 0.04 0.17 -1.76 0.78 0.00 0.00 0.00 178.15 177.38 1wte h ASN 149 N 0.91 0.14 0.10 1.72 2.35 -1.07 -3.32 115.58 116.41 1wte h ASN 149 Ca 0.29 -0.30 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 1wte h ASN 149 Cb 0.01 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1wte h ASN 149 CO -0.11 1.27 -2.01 0.59 -1.65 0.00 0.00 177.43 175.52 1wte n ASN 150 N -3.20 0.10 -2.88 5.81 5.03 0.87 -4.65 115.26 116.34 1wte n ASN 150 Ca -0.20 0.04 -0.20 0.00 0.87 0.00 0.00 54.58 55.09 1wte n ASN 150 Cb 1.05 1.53 -0.01 0.00 -1.02 0.00 0.00 39.78 41.33 1wte n ASN 150 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1wte n TYR 151 N -2.45 1.99 0.27 3.10 4.02 0.71 -4.93 117.16 119.86 1wte n TYR 151 Ca -0.12 -3.52 0.11 0.00 -0.01 0.00 0.00 57.90 54.36 1wte n TYR 151 Cb 0.74 -0.37 0.73 0.00 -0.02 0.00 0.00 39.34 40.43 1wte n TYR 151 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1wte h PRO 152 N 2.92 0.00 0.00 -0.72 0.13 -1.65 -2.47 132.00 130.21 1wte h PRO 152 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1wte h PRO 152 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1wte h PRO 152 CO 0.65 0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.86 1wte n GLY 153 N -1.33 -1.30 0.24 1.56 0.00 -1.26 -4.02 105.19 99.07 1wte n GLY 153 Ca -0.03 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1wte n GLY 153 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1wte h VAL 154 N 0.00 0.23 -2.23 1.61 -1.51 -1.82 -3.46 116.25 109.07 1wte h VAL 154 Ca 0.00 -0.91 0.17 0.00 -1.23 0.00 0.00 66.70 64.73 1wte h VAL 154 Cb 0.41 1.75 -0.11 0.00 -2.13 0.00 0.00 31.29 31.21 1wte h VAL 154 CO 0.00 0.10 0.52 0.00 -1.23 0.00 0.00 177.57 176.96 1wte s ALA 155 N -3.53 -1.77 0.04 5.19 0.00 -1.26 -4.96 121.76 115.48 1wte s ALA 155 Ca 0.02 0.51 0.08 0.00 0.00 0.00 0.00 51.96 52.58 1wte s ALA 155 Cb 0.08 0.52 -0.22 0.00 0.00 0.00 0.00 23.12 23.50 1wte s ALA 155 CO 0.61 -0.91 0.98 -0.44 0.00 0.00 0.00 175.76 176.00 1wte h ASP 156 N 2.00 0.03 -5.26 0.00 3.32 -0.78 -3.48 116.42 112.25 1wte h ASP 156 Ca -0.23 -0.05 0.16 0.00 0.02 0.00 0.00 57.03 56.92 1wte h ASP 156 Cb 1.23 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 40.70 1wte h ASP 156 CO 0.27 1.04 0.43 0.54 -1.72 0.00 0.00 179.24 179.81 1wte s ASN 157 N -6.47 -0.19 -0.11 6.45 4.22 -1.22 -5.03 114.94 112.59 1wte s ASN 157 Ca -0.02 -0.46 0.03 0.00 -2.14 0.00 0.00 52.86 50.27 1wte s ASN 157 Cb 0.09 0.54 -0.00 0.00 1.28 0.00 0.00 41.25 43.16 1wte s ASN 157 CO 0.82 -1.00 -0.21 -0.63 -2.04 0.00 0.00 177.10 174.04 1wte s ILE 158 N -3.40 2.31 -0.09 0.54 1.01 -0.52 -1.39 121.20 119.66 1wte s ILE 158 Ca 0.12 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1wte s ILE 158 Cb -0.02 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 1wte s ILE 158 CO 0.03 0.55 -0.13 -0.69 0.00 0.00 0.00 174.94 174.71 1wte s VAL 159 N 0.38 3.14 -0.27 2.92 1.01 -0.03 -1.62 120.40 125.94 1wte s VAL 159 Ca -0.16 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1wte s VAL 159 Cb -0.17 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1wte s VAL 159 CO 0.07 0.56 0.19 -0.69 0.00 0.00 0.00 175.10 175.23 1wte s VAL 160 N -0.27 5.32 -0.09 2.92 1.01 0.66 -1.28 120.40 128.66 1wte s VAL 160 Ca 0.02 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.12 1wte s VAL 160 Cb -0.13 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1wte s VAL 160 CO 0.03 0.27 0.15 -0.83 0.00 0.00 0.00 175.10 174.72 1wte s GLY 161 N 1.63 2.17 -0.23 4.51 0.00 -0.27 -1.85 107.32 113.28 1wte s GLY 161 Ca 0.07 -0.67 0.01 0.00 0.00 0.00 0.00 44.72 44.13 1wte s GLY 161 CO 0.10 -0.44 -0.06 0.14 0.00 0.00 0.00 173.10 172.83 1wte s VAL 162 N -1.10 1.55 -0.33 1.40 1.01 0.20 -0.44 120.40 122.69 1wte s VAL 162 Ca 0.18 -1.17 0.25 0.00 0.00 0.00 0.00 61.98 61.23 1wte s VAL 162 Cb -0.12 -1.78 0.34 0.00 0.00 0.00 0.00 36.38 34.82 1wte s VAL 162 CO 0.08 -0.04 1.68 2.19 0.00 0.00 0.00 175.10 179.00 1wte h PHE 163 N 7.96 0.00 -3.59 5.22 -5.15 -0.83 0.25 116.94 120.80 1wte h PHE 163 Ca -0.20 0.00 -0.30 0.00 -0.20 0.00 0.00 57.97 57.27 1wte h PHE 163 Cb 1.08 0.00 -0.16 0.00 0.22 0.00 0.00 35.95 37.09 1wte h PHE 163 CO 0.50 0.01 -0.72 1.52 -2.00 0.00 0.00 178.31 177.63 1wte s TYR 164 N -3.29 1.12 0.00 6.09 1.13 -0.48 -4.29 117.35 117.63 1wte s TYR 164 Ca 0.06 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 54.95 1wte s TYR 164 Cb 0.06 -0.60 0.00 0.00 -1.10 0.00 0.00 41.96 40.32 1wte s TYR 164 CO 0.65 0.00 0.00 0.41 -2.51 0.00 0.00 175.55 174.10 1wte n GLY 165 N 0.06 -1.79 3.23 5.49 0.00 -1.26 -4.47 105.19 106.45 1wte n GLY 165 Ca -0.12 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 1wte n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wte s ASN 166 N -4.00 0.51 0.20 1.61 6.03 -1.26 -2.71 114.94 115.31 1wte s ASN 166 Ca 0.00 -1.36 -0.11 0.00 -1.03 0.00 0.00 52.86 50.36 1wte s ASN 166 Cb 0.00 0.30 0.20 0.00 -3.03 0.00 0.00 41.25 38.72 1wte s ASN 166 CO 0.00 -0.78 1.78 -1.28 -2.03 0.00 0.00 177.10 174.78 1wte h SER 167 N 2.58 0.36 0.13 3.54 0.87 -1.97 -2.72 113.55 116.35 1wte h SER 167 Ca -0.37 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.14 1wte h SER 167 Cb 1.24 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 1wte h SER 167 CO 0.56 0.24 -0.33 -0.74 -0.53 0.00 0.00 176.83 176.03 1wte h HIS 168 N 0.51 0.33 0.00 2.24 6.17 -2.00 -2.61 115.15 119.79 1wte h HIS 168 Ca 0.27 -0.08 0.00 0.00 0.71 0.00 0.00 60.37 61.27 1wte h HIS 168 Cb 0.22 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 30.07 1wte h HIS 168 CO -0.12 0.59 0.00 0.41 0.71 0.00 0.00 177.93 179.53 1wte n GLY 169 N -0.34 -1.41 3.75 5.26 0.00 -1.04 -4.91 105.19 106.50 1wte n GLY 169 Ca -0.01 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1wte n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wte s LEU 170 N -3.19 3.75 0.81 0.99 1.43 -0.99 -4.89 118.68 116.59 1wte s LEU 170 Ca 0.12 2.56 -0.11 0.00 -1.03 0.00 0.00 54.13 55.67 1wte s LEU 170 Cb 0.16 -4.45 0.09 0.00 0.03 0.00 0.00 46.19 42.02 1wte s LEU 170 CO 0.48 -1.61 1.16 0.42 0.23 0.00 0.00 176.35 177.03 1wte s THR 171 N -1.44 2.06 -0.00 5.49 -4.23 -1.26 -4.96 115.64 111.29 1wte s THR 171 Ca 0.75 -0.06 0.26 0.00 -1.18 0.00 0.00 61.69 61.46 1wte s THR 171 Cb -0.35 -2.99 0.26 0.00 1.34 0.00 0.00 72.50 70.76 1wte s THR 171 CO 0.40 0.00 1.81 -2.24 -0.54 0.00 0.00 174.62 174.05 1wte h ASP 172 N -1.04 0.00 0.14 3.99 2.03 -1.95 -2.84 116.42 116.76 1wte h ASP 172 Ca -0.45 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 55.82 1wte h ASP 172 Cb 1.31 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.81 1wte h ASP 172 CO 0.61 0.00 -0.15 0.11 -1.03 0.00 0.00 179.24 178.78 1wte h LYS 173 N 0.00 0.01 0.00 4.15 1.79 -1.92 0.96 116.57 121.55 1wte h LYS 173 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1wte h LYS 173 Cb 0.01 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 1wte h LYS 173 CO 0.00 0.16 0.00 0.66 -1.08 0.00 0.00 179.45 179.19 1wte n TYR 174 N -4.36 0.56 -0.04 -1.35 4.02 -1.07 -1.54 117.16 113.38 1wte n TYR 174 Ca -0.02 0.19 -0.22 0.00 -0.01 0.00 0.00 57.90 57.84 1wte n TYR 174 Cb 0.22 -0.81 -0.13 0.00 -0.02 0.00 0.00 39.34 38.60 1wte n TYR 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wte h ARG 175 N 0.00 0.15 -0.97 -0.72 3.08 -1.05 -3.37 114.38 111.50 1wte h ARG 175 Ca 0.00 -0.26 0.08 0.00 0.07 0.00 0.00 59.98 59.86 1wte h ARG 175 Cb 0.48 0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.56 1wte h ARG 175 CO 0.00 1.13 0.63 0.82 -1.07 0.00 0.00 179.97 181.47 1wte h ILE 176 N -0.42 1.04 0.00 2.04 1.08 -0.93 -0.57 117.51 119.75 1wte h ILE 176 Ca -0.38 -0.37 -0.05 0.00 -0.39 0.00 0.00 64.86 63.67 1wte h ILE 176 Cb 1.70 -0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 1wte h ILE 176 CO -0.04 0.20 -0.25 0.17 -0.69 0.00 0.00 178.15 177.54 1wte h LEU 177 N 1.08 0.00 0.00 1.44 -0.00 -1.44 -0.96 115.31 115.43 1wte h LEU 177 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.32 1wte h LEU 177 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.92 1wte h LEU 177 CO -0.19 0.25 0.00 0.54 -0.00 0.00 0.00 178.44 179.04 1wte n ARG 178 N -3.51 0.99 -0.64 0.17 1.74 -0.29 -3.96 116.66 111.15 1wte n ARG 178 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1wte n ARG 178 Cb 0.41 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.40 1wte n ARG 178 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wte n GLY 179 N 0.93 0.74 3.60 -0.13 0.00 -0.36 -1.29 105.19 108.68 1wte n GLY 179 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1wte n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wte s ILE 180 N -2.59 4.81 -0.39 -0.61 1.01 -0.77 -4.09 121.20 118.57 1wte s ILE 180 Ca 0.00 0.99 0.03 0.00 0.00 0.00 0.00 60.65 61.67 1wte s ILE 180 Cb 0.00 -4.13 0.16 0.00 0.01 0.00 0.00 42.46 38.49 1wte s ILE 180 CO 0.00 -0.29 0.30 0.21 0.00 0.00 0.00 174.94 175.16 1wte s ASN 181 N 1.70 1.91 0.27 3.58 2.47 -1.26 -2.86 114.94 120.75 1wte s ASN 181 Ca 0.30 -2.65 0.23 0.00 0.42 0.00 0.00 52.86 51.17 1wte s ASN 181 Cb -0.14 -0.32 0.26 0.00 -1.45 0.00 0.00 41.25 39.59 1wte s ASN 181 CO 0.14 -0.22 1.35 0.71 -3.72 0.00 0.00 177.10 175.36 1wte h THR 182 N 4.80 0.00 0.00 -5.21 1.35 -1.99 -3.47 112.91 108.39 1wte h THR 182 Ca 0.18 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1wte h THR 182 Cb 0.94 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1wte h THR 182 CO 0.31 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.19 1wte n GLY 183 N 1.20 0.51 3.77 5.82 0.00 -1.26 -5.04 105.19 110.19 1wte n GLY 183 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1wte n GLY 183 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wte s ALA 184 N -3.01 2.88 0.14 4.61 0.00 -1.26 -4.93 121.76 120.19 1wte s ALA 184 Ca 0.00 0.92 -0.31 0.00 0.00 0.00 0.00 51.96 52.57 1wte s ALA 184 Cb 0.00 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 1wte s ALA 184 CO 0.00 -0.73 1.54 1.21 0.00 0.00 0.00 175.76 177.78 1wte s ASN 185 N -1.46 6.64 0.00 0.00 3.04 -1.26 -4.91 114.94 116.99 1wte s ASN 185 Ca 0.67 2.53 0.00 0.00 0.04 0.00 0.00 52.86 56.10 1wte s ASN 185 Cb -0.28 -2.59 0.00 0.00 -1.54 0.00 0.00 41.25 36.84 1wte s ASN 185 CO 0.33 -0.80 0.28 1.41 -3.04 0.00 0.00 177.10 175.28 1wte n HIS 186 N 4.24 0.00 -3.03 0.43 8.25 -1.26 -5.06 115.22 118.79 1wte n HIS 186 Ca 0.14 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.47 1wte n HIS 186 Cb 0.40 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.57 1wte n HIS 186 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1wte n ASN 187 N -0.11 -3.58 -4.84 0.41 5.03 -1.26 -5.02 115.26 105.89 1wte n ASN 187 Ca 0.00 -0.52 -0.21 0.00 0.87 0.00 0.00 54.58 54.71 1wte n ASN 187 Cb 0.07 -4.21 -0.04 0.00 -1.02 0.00 0.00 39.78 34.58 1wte n ASN 187 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1wte s VAL 188 N -3.30 3.82 -0.04 2.41 -7.23 -1.26 -5.04 120.40 109.77 1wte s VAL 188 Ca 0.15 -1.38 0.07 0.00 -1.81 0.00 0.00 61.98 59.01 1wte s VAL 188 Cb -0.02 -3.25 -0.01 0.00 0.56 0.00 0.00 36.38 33.65 1wte s VAL 188 CO 0.58 -0.23 -0.24 -0.63 -0.31 0.00 0.00 175.10 174.27 1wte s ILE 189 N -2.25 1.94 -0.04 -0.62 1.01 -1.26 -4.93 121.20 115.04 1wte s ILE 189 Ca 0.38 -1.03 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 1wte s ILE 189 Cb -0.06 -1.62 -0.06 0.00 0.01 0.00 0.00 42.46 40.72 1wte s ILE 189 CO 0.26 0.54 1.77 -0.62 0.00 0.00 0.00 174.94 176.89 1wte s ASP 190 N -0.36 6.54 -0.02 3.58 -1.08 -1.26 -3.67 116.67 120.40 1wte s ASP 190 Ca 0.03 2.32 0.16 0.00 -0.52 0.00 0.00 52.55 54.54 1wte s ASP 190 Cb -0.11 -2.53 0.28 0.00 -1.46 0.00 0.00 42.92 39.09 1wte s ASP 190 CO 0.01 -1.02 1.12 2.30 0.52 0.00 0.00 175.17 178.10 1wte n ILE 191 N 5.64 0.29 0.25 4.11 -5.35 -0.41 -4.95 119.36 118.92 1wte n ILE 191 Ca 0.19 -0.92 0.11 0.00 -0.27 0.00 0.00 62.75 61.86 1wte n ILE 191 Cb 0.42 0.66 0.63 0.00 -1.74 0.00 0.00 39.64 39.61 1wte n ILE 191 CO 0.00 0.00 0.00 0.08 -1.76 0.00 0.00 176.55 174.87 1wte h ARG 192 N 0.61 0.00 0.00 6.28 0.11 -1.82 -0.76 114.38 118.79 1wte h ARG 192 Ca -0.12 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.94 1wte h ARG 192 Cb 1.61 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.68 1wte h ARG 192 CO 0.05 0.17 -0.10 -0.44 0.10 0.00 0.00 179.97 179.75 1wte h ASP 193 N 0.00 0.00 -0.00 0.08 5.19 -1.92 -3.24 116.42 116.52 1wte h ASP 193 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1wte h ASP 193 Cb 0.47 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1wte h ASP 193 CO 0.02 0.10 -0.32 0.29 -3.12 0.00 0.00 179.24 176.22 1wte n LYS 194 N -3.33 3.77 -4.16 3.56 4.76 -0.35 -4.95 118.16 117.45 1wte n LYS 194 Ca -0.01 -0.16 -0.29 0.00 -2.87 0.00 0.00 58.31 54.98 1wte n LYS 194 Cb 0.30 -0.92 -0.17 0.00 -1.84 0.00 0.00 35.03 32.41 1wte n LYS 194 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1wte s VAL 195 N -1.59 1.52 0.06 -0.18 1.01 -0.84 -1.44 120.40 118.94 1wte s VAL 195 Ca 0.04 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.48 1wte s VAL 195 Cb 0.06 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 1wte s VAL 195 CO 0.29 0.45 -0.21 -1.00 0.00 0.00 0.00 175.10 174.63 1wte s HIS 196 N 1.34 1.84 -0.14 5.22 3.76 -0.64 -4.68 115.29 121.98 1wte s HIS 196 Ca 0.01 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.53 1wte s HIS 196 Cb -0.13 -1.07 -0.02 0.00 1.11 0.00 0.00 32.58 32.47 1wte s HIS 196 CO -0.08 0.12 -0.11 0.08 -0.85 0.00 0.00 174.74 173.91 1wte s VAL 197 N -0.88 3.20 -0.04 -0.90 1.01 -1.26 -0.25 120.40 121.28 1wte s VAL 197 Ca 0.08 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1wte s VAL 197 Cb -0.09 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1wte s VAL 197 CO 0.02 0.51 -0.18 -0.31 0.00 0.00 0.00 175.10 175.14 1wte s TYR 198 N 0.49 1.75 0.04 5.22 1.51 -0.77 -4.98 117.35 120.60 1wte s TYR 198 Ca -0.08 -0.47 0.06 0.00 -1.01 0.00 0.00 57.07 55.57 1wte s TYR 198 Cb -0.15 -1.16 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 1wte s TYR 198 CO 0.04 -0.14 -0.18 0.00 -1.11 0.00 0.00 175.55 174.16 1wte s ALA 199 N -0.07 1.51 0.00 3.71 0.00 -1.26 -0.62 121.76 125.03 1wte s ALA 199 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1wte s ALA 199 Cb -0.11 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.73 1wte s ALA 199 CO 0.02 0.33 0.00 0.41 0.00 0.00 0.00 175.76 176.51 1wte n GLY 200 N 1.94 2.95 0.32 0.00 0.00 0.08 -2.21 105.19 108.27 1wte n GLY 200 Ca -0.17 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 45.70 1wte n GLY 200 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1wte h LYS 201 N 0.00 0.54 -0.26 1.61 3.64 -1.87 -1.38 116.57 118.85 1wte h LYS 201 Ca 0.00 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1wte h LYS 201 Cb 0.00 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1wte h LYS 201 CO 0.00 0.36 -0.28 1.49 -2.27 0.00 0.00 179.45 178.75 1wte h GLU 202 N 0.55 0.51 -0.07 1.90 4.81 -1.81 -0.71 114.58 119.77 1wte h GLU 202 Ca 0.55 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1wte h GLU 202 Cb 0.94 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 1wte h GLU 202 CO -0.45 0.74 0.03 0.35 -0.73 0.00 0.00 179.01 178.96 1wte h PHE 203 N 0.45 0.10 -0.51 0.92 3.57 -1.07 -0.67 116.94 119.73 1wte h PHE 203 Ca 0.06 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1wte h PHE 203 Cb 0.71 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 1wte h PHE 203 CO 0.03 0.22 0.08 -1.49 -2.23 0.00 0.00 178.31 174.91 1wte h TRP 204 N -0.04 0.85 0.20 0.41 4.06 -1.26 -0.04 115.95 120.12 1wte h TRP 204 Ca 0.02 -0.09 -0.01 0.00 2.06 0.00 0.00 58.89 60.87 1wte h TRP 204 Cb 0.16 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.08 1wte h TRP 204 CO -0.02 0.74 -0.09 1.03 -3.56 0.00 0.00 178.44 176.53 1wte h SER 205 N 0.77 -0.22 -0.54 -3.49 0.87 -1.14 -2.08 113.55 107.71 1wte h SER 205 Ca 0.16 -0.13 0.09 0.00 -1.23 0.00 0.00 61.79 60.68 1wte h SER 205 Cb 0.36 0.06 -0.07 0.00 -0.44 0.00 0.00 62.40 62.30 1wte h SER 205 CO 0.01 -0.00 0.15 -0.25 -0.53 0.00 0.00 176.83 176.20 1wte h TRP 206 N -0.45 0.25 -0.51 2.24 7.01 -0.92 0.11 115.95 123.68 1wte h TRP 206 Ca -0.03 0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.07 1wte h TRP 206 Cb 0.34 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.31 1wte h TRP 206 CO -0.01 0.03 0.18 1.25 -2.79 0.00 0.00 178.44 177.10 1wte h LEU 207 N 0.30 0.17 -4.51 0.65 5.85 -0.90 -3.20 115.31 113.67 1wte h LEU 207 Ca 0.28 0.06 -0.68 0.00 0.84 0.00 0.00 57.88 58.38 1wte h LEU 207 Cb 0.36 0.05 -0.33 0.00 0.37 0.00 0.00 40.66 41.11 1wte h LEU 207 CO -0.32 0.12 0.39 -3.20 -0.34 0.00 0.00 178.44 175.09 1wte n ASN 208 N -5.01 6.62 -3.77 1.25 4.05 -0.79 -4.90 115.26 112.71 1wte n ASN 208 Ca 0.06 -3.79 -0.29 0.00 0.45 0.00 0.00 54.58 51.01 1wte n ASN 208 Cb 0.21 -0.82 0.03 0.00 1.23 0.00 0.00 39.78 40.43 1wte n ASN 208 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1wte n ASN 209 N -0.63 -4.97 0.00 1.20 3.02 -1.06 -1.97 115.26 110.85 1wte n ASN 209 Ca 0.51 -0.68 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1wte n ASN 209 Cb 0.52 -3.98 0.00 0.00 -0.61 0.00 0.00 39.78 35.71 1wte n ASN 209 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wte n GLY 210 N -1.66 0.67 3.56 7.41 0.00 0.35 -5.01 105.19 110.52 1wte n GLY 210 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1wte n GLY 210 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wte s GLU 211 N -0.31 3.07 0.45 1.61 0.41 -0.83 -4.88 118.70 118.22 1wte s GLU 211 Ca 0.00 0.20 0.20 0.00 -0.41 0.00 0.00 54.97 54.96 1wte s GLU 211 Cb 0.00 -4.22 1.16 0.00 -1.78 0.00 0.00 34.13 29.29 1wte s GLU 211 CO 0.00 -2.24 1.90 0.00 -0.49 0.00 0.00 175.26 174.42 1wte h ALA 212 N 11.67 2.30 -0.05 5.21 0.00 -1.91 -2.57 119.26 133.91 1wte h ALA 212 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wte h ALA 212 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1wte h ALA 212 CO 1.23 -0.54 0.00 0.39 0.00 0.00 0.00 179.25 180.34 1wte n GLU 213 N -4.45 1.35 -0.25 0.00 -0.58 -1.26 -4.46 120.64 110.99 1wte n GLU 213 Ca 0.17 -0.52 0.02 0.00 -0.42 0.00 0.00 57.16 56.41 1wte n GLU 213 Cb 0.67 -1.41 0.15 0.00 -0.57 0.00 0.00 31.44 30.28 1wte n GLU 213 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1wte h THR 214 N 1.14 0.79 -0.90 2.62 2.02 -1.79 -1.25 112.91 115.54 1wte h THR 214 Ca 0.00 -0.19 0.10 0.00 0.77 0.00 0.00 66.41 67.09 1wte h THR 214 Cb 0.25 0.20 -0.07 0.00 -1.74 0.00 0.00 68.15 66.79 1wte h THR 214 CO 0.00 0.10 0.58 0.06 0.37 0.00 0.00 175.52 176.63 1wte h GLN 215 N 0.55 0.88 -0.52 6.66 3.07 -1.85 -0.47 115.11 123.42 1wte h GLN 215 Ca 0.37 -0.05 -0.11 0.00 0.09 0.00 0.00 58.65 58.94 1wte h GLN 215 Cb 0.44 -0.20 -0.02 0.00 0.08 0.00 0.00 27.48 27.79 1wte h GLN 215 CO -0.31 0.58 -0.11 0.45 0.09 0.00 0.00 178.83 179.53 1wte h HIS 216 N 0.90 1.08 -0.64 0.06 3.86 -1.56 -1.49 115.15 117.36 1wte h HIS 216 Ca 0.42 -0.22 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 1wte h HIS 216 Cb 0.41 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 1wte h HIS 216 CO -0.00 1.01 0.31 -1.49 0.86 0.00 0.00 177.93 178.61 1wte h TRP 217 N 0.86 0.92 0.01 2.45 6.55 -1.06 0.11 115.95 125.79 1wte h TRP 217 Ca 0.14 -0.04 0.02 0.00 0.95 0.00 0.00 58.89 59.95 1wte h TRP 217 Cb 0.65 -0.28 -0.03 0.00 -0.86 0.00 0.00 29.16 28.64 1wte h TRP 217 CO 0.04 0.69 -0.14 0.28 -1.05 0.00 0.00 178.44 178.26 1wte h VAL 218 N 0.88 0.66 -0.97 1.49 2.07 -1.00 -1.49 116.25 117.88 1wte h VAL 218 Ca 0.22 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.74 1wte h VAL 218 Cb 0.12 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 1wte h VAL 218 CO -0.03 0.00 0.63 0.25 0.02 0.00 0.00 177.57 178.44 1wte h LEU 219 N -0.24 1.13 -0.67 2.57 5.85 -0.91 -2.47 115.31 120.56 1wte h LEU 219 Ca 0.04 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1wte h LEU 219 Cb 0.29 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1wte h LEU 219 CO -0.13 0.83 0.40 -0.08 -0.34 0.00 0.00 178.44 179.12 1wte h GLU 220 N 1.32 0.92 -0.61 1.25 4.81 -0.58 -0.24 114.58 121.45 1wte h GLU 220 Ca 0.35 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.55 1wte h GLU 220 Cb -0.13 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.01 1wte h GLU 220 CO -0.07 0.66 0.32 0.78 -0.73 0.00 0.00 179.01 179.97 1wte h GLY 221 N 0.92 0.88 0.89 1.92 0.00 -0.97 -0.98 103.07 105.72 1wte h GLY 221 Ca 0.24 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 1wte h GLY 221 CO -0.04 0.12 0.08 -2.22 0.00 0.00 0.00 176.54 174.48 1wte h ILE 222 N 0.59 1.18 -0.41 2.60 2.04 -1.00 -2.29 117.51 120.23 1wte h ILE 222 Ca 0.28 -0.57 0.09 0.00 1.00 0.00 0.00 64.86 65.65 1wte h ILE 222 Cb 0.19 1.13 -0.08 0.00 -0.74 0.00 0.00 36.82 37.31 1wte h ILE 222 CO -0.19 0.19 -0.15 -0.33 0.00 0.00 0.00 178.15 177.67 1wte h GLU 223 N 0.22 -0.06 -0.66 2.37 5.08 -0.82 -0.38 114.58 120.33 1wte h GLU 223 Ca 0.08 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1wte h GLU 223 Cb 0.21 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1wte h GLU 223 CO -0.00 -0.04 0.26 0.00 -1.00 0.00 0.00 179.01 178.23 1wte h ARG 224 N -0.06 0.98 -0.60 2.33 3.08 -1.00 -1.62 114.38 117.49 1wte h ARG 224 Ca 0.20 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1wte h ARG 224 Cb 0.37 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 1wte h ARG 224 CO -0.46 0.83 0.27 0.00 -1.07 0.00 0.00 179.97 179.54 1wte h ALA 225 N 1.11 0.78 -0.07 0.04 0.00 -0.93 -0.94 119.26 119.24 1wte h ALA 225 Ca 0.22 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1wte h ALA 225 Cb 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1wte h ALA 225 CO -0.02 0.36 -0.03 0.28 0.00 0.00 0.00 179.25 179.84 1wte h VAL 226 N 0.82 0.91 -0.11 0.00 2.07 -0.79 -0.77 116.25 118.39 1wte h VAL 226 Ca 0.20 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.73 1wte h VAL 226 Cb 0.15 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1wte h VAL 226 CO -0.02 0.00 0.04 0.50 0.02 0.00 0.00 177.57 178.10 1wte h LYS 227 N -0.02 0.09 -0.32 1.57 3.64 -1.11 -1.87 116.57 118.56 1wte h LYS 227 Ca 0.04 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1wte h LYS 227 Cb 0.07 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1wte h LYS 227 CO -0.08 0.06 0.04 1.49 -2.27 0.00 0.00 179.45 178.69 1wte h GLU 228 N 0.09 0.47 -0.26 1.90 4.81 -1.09 -3.07 114.58 117.44 1wte h GLU 228 Ca 0.05 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 1wte h GLU 228 Cb 0.03 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1wte h GLU 228 CO -0.05 0.47 -0.09 0.00 -0.73 0.00 0.00 179.01 178.62 1wte h ALA 229 N 1.58 1.36 -5.86 2.92 0.00 -0.31 -3.48 119.26 115.48 1wte h ALA 229 Ca 0.11 -0.23 -0.28 0.00 0.00 0.00 0.00 54.91 54.51 1wte h ALA 229 Cb 0.25 -0.12 0.08 0.00 0.00 0.00 0.00 17.79 17.99 1wte h ALA 229 CO 0.00 0.44 -0.68 -3.47 0.00 0.00 0.00 179.25 175.54 1wte n ASP 230 N -4.25 -6.29 -0.58 0.00 4.64 -1.03 -4.93 116.55 104.12 1wte n ASP 230 Ca 0.00 -0.68 0.07 0.00 -1.38 0.00 0.00 54.79 52.80 1wte n ASP 230 Cb 0.28 -4.16 0.09 0.00 -1.04 0.00 0.00 41.12 36.29 1wte n ASP 230 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 1wte n ILE 231 N -3.10 0.25 0.11 5.18 -5.35 -1.26 -4.73 119.36 110.45 1wte n ILE 231 Ca -0.09 -0.62 -0.03 0.00 -0.27 0.00 0.00 62.75 61.73 1wte n ILE 231 Cb 0.59 1.08 0.14 0.00 -1.74 0.00 0.00 39.64 39.71 1wte n ILE 231 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1wte h LYS 232 N 2.51 0.12 0.03 6.28 3.64 -1.95 -2.45 116.57 124.75 1wte h LYS 232 Ca 0.00 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.17 1wte h LYS 232 Cb 0.60 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1wte h LYS 232 CO 0.00 0.70 -0.64 0.93 -2.27 0.00 0.00 179.45 178.17 1wte h GLU 233 N 0.09 0.05 -0.11 1.90 4.39 -2.02 -3.40 114.58 115.49 1wte h GLU 233 Ca -0.01 -0.09 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 1wte h GLU 233 Cb 1.11 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1wte h GLU 233 CO 0.09 1.04 -0.45 1.57 -1.16 0.00 0.00 179.01 180.10 1wte h LYS 234 N -0.86 0.26 0.00 2.33 2.10 -1.85 -2.91 116.57 115.63 1wte h LYS 234 Ca -0.16 -0.13 -0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1wte h LYS 234 Cb 1.24 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1wte h LYS 234 CO -0.05 0.67 -0.01 -0.91 -2.00 0.00 0.00 179.45 177.15 1wte h ASN 235 N 0.21 0.00 -0.53 7.07 4.21 -1.67 -2.88 115.58 121.99 1wte h ASN 235 Ca 0.01 0.00 0.05 0.00 1.21 0.00 0.00 56.30 57.57 1wte h ASN 235 Cb 0.88 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.04 1wte h ASN 235 CO 0.07 0.01 0.27 0.11 -1.29 0.00 0.00 177.43 176.60 1wte h LYS 236 N 0.00 0.50 0.02 0.81 1.57 -1.72 0.17 116.57 117.92 1wte h LYS 236 Ca -0.00 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.51 1wte h LYS 236 Cb 0.02 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.24 1wte h LYS 236 CO 0.00 0.33 -0.96 0.22 -0.57 0.00 0.00 179.45 178.47 1wte h ASP 237 N 0.52 0.81 -0.86 0.86 1.82 -1.73 -2.26 116.42 115.57 1wte h ASP 237 Ca 0.24 -0.76 0.03 0.00 -0.39 0.00 0.00 57.03 56.15 1wte h ASP 237 Cb 0.16 -0.25 -0.05 0.00 0.68 0.00 0.00 39.33 39.87 1wte h ASP 237 CO -0.17 1.47 0.57 -0.07 -1.61 0.00 0.00 179.24 179.43 1wte h LEU 238 N 0.25 0.93 -0.65 2.28 3.38 -1.28 -0.74 115.31 119.48 1wte h LEU 238 Ca -0.12 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 1wte h LEU 238 Cb 1.63 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 1wte h LEU 238 CO 0.19 0.65 -0.38 0.40 0.09 0.00 0.00 178.44 179.39 1wte h ILE 239 N 1.09 1.29 -0.44 1.22 2.04 -0.55 -2.07 117.51 120.08 1wte h ILE 239 Ca 0.34 -1.54 -0.11 0.00 1.00 0.00 0.00 64.86 64.55 1wte h ILE 239 Cb 0.00 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1wte h ILE 239 CO -0.10 0.49 -0.17 -0.08 0.00 0.00 0.00 178.15 178.29 1wte h GLU 240 N 0.52 0.85 -0.20 2.37 4.81 -0.73 -0.92 114.58 121.28 1wte h GLU 240 Ca 0.05 -0.32 -0.14 0.00 -0.13 0.00 0.00 59.36 58.81 1wte h GLU 240 Cb 0.89 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1wte h GLU 240 CO 0.08 0.96 -0.48 0.87 -0.73 0.00 0.00 179.01 179.71 1wte h LYS 241 N 0.75 0.52 -0.06 1.92 1.57 -1.09 -0.75 116.57 119.42 1wte h LYS 241 Ca 0.11 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1wte h LYS 241 Cb 0.69 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1wte h LYS 241 CO 0.05 0.89 -0.01 0.35 -0.57 0.00 0.00 179.45 180.16 1wte h PHE 242 N 0.42 -0.02 -0.75 -1.35 3.57 -1.08 -0.18 116.94 117.55 1wte h PHE 242 Ca 0.02 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1wte h PHE 242 Cb 0.99 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.68 1wte h PHE 242 CO 0.04 -0.02 0.40 -0.22 -2.23 0.00 0.00 178.31 176.28 1wte h LYS 243 N 0.01 0.67 -0.58 1.11 3.64 -0.81 -2.21 116.57 118.40 1wte h LYS 243 Ca 0.03 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1wte h LYS 243 Cb 0.04 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 1wte h LYS 243 CO -0.06 0.44 -0.03 0.93 -2.27 0.00 0.00 179.45 178.47 1wte h GLU 244 N 0.69 1.04 -0.72 1.90 5.08 -0.87 -2.10 114.58 119.61 1wte h GLU 244 Ca 0.36 -0.35 0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1wte h GLU 244 Cb 0.33 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1wte h GLU 244 CO -0.25 1.04 0.44 1.25 -1.00 0.00 0.00 179.01 180.49 1wte h HIS 245 N 0.94 0.81 -0.19 4.33 2.76 -0.59 -2.57 115.15 120.64 1wte h HIS 245 Ca 0.16 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.27 1wte h HIS 245 Cb 0.59 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 1wte h HIS 245 CO 0.04 0.44 -0.21 0.28 -1.30 0.00 0.00 177.93 177.18 1wte h VAL 246 N 0.83 1.33 -0.54 5.26 2.07 -1.25 -3.24 116.25 120.71 1wte h VAL 246 Ca 0.30 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 1wte h VAL 246 Cb 0.08 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1wte h VAL 246 CO -0.14 0.42 0.11 0.00 0.02 0.00 0.00 177.57 177.98 1wte h ALA 247 N 0.64 1.17 -0.21 1.67 0.00 -1.31 -1.24 119.26 119.98 1wte h ALA 247 Ca 0.03 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1wte h ALA 247 Cb 0.76 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1wte h ALA 247 CO 0.05 0.56 0.20 0.87 0.00 0.00 0.00 179.25 180.93 1wte h LYS 248 N 0.81 0.00 0.00 0.00 1.57 -1.49 0.32 116.57 117.79 1wte h LYS 248 Ca 0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1wte h LYS 248 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1wte h LYS 248 CO 0.00 0.00 -0.05 0.87 -0.57 0.00 0.00 179.45 179.70 1wte h LYS 249 N 0.00 0.00 0.00 3.15 1.57 -1.28 -3.37 116.57 116.64 1wte h LYS 249 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1wte h LYS 249 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1wte h LYS 249 CO -0.00 0.05 -0.89 0.66 -0.57 0.00 0.00 179.45 178.70 1wte n TYR 250 N -3.90 0.00 1.54 -1.35 4.02 -0.19 -4.87 117.16 112.41 1wte n TYR 250 Ca -0.03 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 57.99 1wte n TYR 250 Cb 0.14 0.00 0.73 0.00 -0.02 0.00 0.00 39.34 40.20 1wte n TYR 250 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 1wte n ASN 251 N -1.93 0.00 -1.00 7.72 0.23 0.96 -0.84 115.26 120.40 1wte n ASN 251 Ca 0.00 -0.76 -0.02 0.00 -0.53 0.00 0.00 54.58 53.27 1wte n ASN 251 Cb 0.45 -0.01 0.19 0.00 -2.08 0.00 0.00 39.78 38.33 1wte n ASN 251 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1wte n GLU 252 N -1.01 1.87 0.00 -3.83 1.02 -1.26 -4.57 120.64 112.86 1wte n GLU 252 Ca 0.18 -3.33 0.00 0.00 -0.02 0.00 0.00 57.16 54.00 1wte n GLU 252 Cb 0.09 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 1wte n GLU 252 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wte n GLN 253 N -1.09 1.43 0.00 3.49 10.64 -0.02 -4.95 117.38 126.88 1wte n GLN 253 Ca 0.28 0.00 0.10 0.00 -1.83 0.00 0.00 57.00 55.55 1wte n GLN 253 Cb 0.87 -0.12 0.00 0.00 -0.86 0.00 0.00 30.24 30.13 1wte n GLN 253 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 1wte n VAL 254 N 0.00 0.00 -3.72 -0.39 0.24 -0.33 -4.91 118.33 109.23 1wte n VAL 254 Ca 0.00 -0.30 -0.37 0.00 -2.04 0.00 0.00 64.34 61.63 1wte n VAL 254 Cb 0.00 1.26 -0.06 0.00 -1.47 0.00 0.00 33.84 33.57 1wte n VAL 254 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1wte s LEU 255 N -2.30 4.42 0.69 1.34 1.43 -1.26 0.71 118.68 123.70 1wte s LEU 255 Ca 0.18 0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 53.88 1wte s LEU 255 Cb 0.17 -2.39 0.05 0.00 0.03 0.00 0.00 46.19 44.05 1wte s LEU 255 CO 0.50 0.35 1.01 0.20 0.23 0.00 0.00 176.35 178.64 1wte s ASN 256 N -1.19 5.04 0.34 2.29 0.01 0.28 -4.91 114.94 116.81 1wte s ASN 256 Ca 0.21 0.62 0.09 0.00 -0.71 0.00 0.00 52.86 53.06 1wte s ASN 256 Cb -0.14 -1.35 0.82 0.00 0.41 0.00 0.00 41.25 40.99 1wte s ASN 256 CO 0.10 -1.47 1.82 0.00 -1.51 0.00 0.00 177.10 176.04 1wte h ALA 257 N -0.54 1.82 -0.04 0.60 0.00 -1.99 -1.22 119.26 117.89 1wte h ALA 257 Ca -0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wte h ALA 257 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1wte h ALA 257 CO 0.61 -0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.32 1wte n ASP 258 N -4.65 0.29 0.00 0.00 5.75 -1.26 -4.88 116.55 111.80 1wte n ASP 258 Ca 0.21 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 1wte n ASP 258 Cb 0.57 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 1wte n ASP 258 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1wte n GLY 259 N 0.70 1.75 3.82 6.12 0.00 -0.46 -5.05 105.19 112.06 1wte n GLY 259 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1wte n GLY 259 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wte s THR 260 N -3.07 4.19 0.14 2.61 -4.23 -1.26 -4.61 115.64 109.41 1wte s THR 260 Ca 0.00 1.13 -0.20 0.00 -1.18 0.00 0.00 61.69 61.43 1wte s THR 260 Cb 0.00 -3.57 -0.07 0.00 1.34 0.00 0.00 72.50 70.20 1wte s THR 260 CO 0.00 -0.53 0.65 0.00 -0.54 0.00 0.00 174.62 174.21 1wte s ALA 261 N -2.43 3.51 -1.03 3.99 0.00 -1.26 -0.55 121.76 123.99 1wte s ALA 261 Ca 0.62 0.13 -0.15 0.00 0.00 0.00 0.00 51.96 52.55 1wte s ALA 261 Cb -0.13 -2.75 0.17 0.00 0.00 0.00 0.00 23.12 20.42 1wte s ALA 261 CO 0.29 0.36 1.17 -0.65 0.00 0.00 0.00 175.76 176.94 1wte s GLN 262 N -1.40 3.82 0.55 0.00 -0.21 0.22 -4.89 119.66 117.76 1wte s GLN 262 Ca 0.35 -2.28 0.27 0.00 0.02 0.00 0.00 55.36 53.72 1wte s GLN 262 Cb -0.19 -4.86 1.46 0.00 1.00 0.00 0.00 33.01 30.42 1wte s GLN 262 CO 0.21 -1.65 1.98 -1.49 -2.12 0.00 0.00 175.29 172.23 1wte h TRP 263 N 7.91 0.00 0.00 0.91 -0.00 -1.95 0.93 115.95 123.75 1wte h TRP 263 Ca 0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 58.89 58.96 1wte h TRP 263 Cb 0.96 0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.10 1wte h TRP 263 CO 1.09 0.00 -0.64 0.45 -0.00 0.00 0.00 178.44 179.33 1wte h HIS 264 N 0.00 0.00 -0.16 0.49 3.86 -1.95 -0.88 115.15 116.51 1wte h HIS 264 Ca 0.23 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.25 1wte h HIS 264 Cb 1.03 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.51 1wte h HIS 264 CO 0.00 0.64 -0.67 -0.22 0.86 0.00 0.00 177.93 178.54 1wte h LYS 265 N 0.00 0.73 -0.81 2.45 1.63 -1.20 -1.42 116.57 117.95 1wte h LYS 265 Ca -0.01 -0.58 0.02 0.00 -0.85 0.00 0.00 60.65 59.24 1wte h LYS 265 Cb 1.20 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.89 1wte h LYS 265 CO 0.08 1.19 0.53 1.25 -3.45 0.00 0.00 179.45 179.05 1wte h LEU 266 N 0.44 0.89 -0.41 5.20 5.85 -1.31 -2.06 115.31 123.92 1wte h LEU 266 Ca -0.04 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1wte h LEU 266 Cb 1.30 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 1wte h LEU 266 CO 0.14 0.62 0.11 0.25 -0.34 0.00 0.00 178.44 179.23 1wte h LEU 267 N 1.05 0.08 -0.10 2.25 5.85 -1.07 -2.02 115.31 121.35 1wte h LEU 267 Ca 0.31 0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.11 1wte h LEU 267 Cb -0.04 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1wte h LEU 267 CO -0.09 0.08 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.00 1wte h GLU 268 N 0.26 0.03 -0.64 1.25 4.81 -0.93 0.01 114.58 119.37 1wte h GLU 268 Ca 0.19 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1wte h GLU 268 Cb 0.20 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1wte h GLU 268 CO -0.22 0.02 0.39 0.52 -0.73 0.00 0.00 179.01 178.98 1wte h MET 269 N 0.03 0.86 -0.10 1.92 2.86 -1.18 -3.22 114.93 116.11 1wte h MET 269 Ca 0.04 -0.08 -0.17 0.00 -2.06 0.00 0.00 59.70 57.43 1wte h MET 269 Cb 0.05 -0.18 0.01 0.00 0.06 0.00 0.00 31.60 31.54 1wte h MET 269 CO -0.08 0.61 -0.62 0.82 1.06 0.00 0.00 176.91 178.71 1wte h ILE 270 N 0.86 1.35 -0.28 -1.22 2.04 -1.09 -3.37 117.51 115.80 1wte h ILE 270 Ca 0.23 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 64.17 1wte h ILE 270 Cb -0.03 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1wte h ILE 270 CO -0.04 0.58 0.00 0.59 0.00 0.00 0.00 178.15 179.28 1wte n ASN 271 N -4.13 1.71 0.00 1.72 4.13 -0.03 -5.11 115.26 113.54 1wte n ASN 271 Ca -0.08 -1.89 0.00 0.00 1.68 0.00 0.00 54.58 54.28 1wte n ASN 271 Cb 0.66 -0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 1wte n ASN 271 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70