#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtc s SER 57 N 0.00 4.81 0.85 4.38 1.04 -1.26 -5.06 113.70 118.45 2qtc s SER 57 Ca 0.00 -0.13 -0.13 0.00 0.48 0.00 0.00 55.95 56.18 2qtc s SER 57 Cb 0.00 -0.50 0.07 0.00 0.10 0.00 0.00 66.02 65.69 2qtc s SER 57 CO 0.00 -1.52 0.94 0.59 0.98 0.00 0.00 173.24 174.24 2qtc n ASN 58 N -2.62 -0.04 -3.33 7.02 3.02 -1.26 -4.83 115.26 113.21 2qtc n ASN 58 Ca 0.11 0.50 -0.39 0.00 -0.03 0.00 0.00 54.58 54.77 2qtc n ASN 58 Cb 0.60 -1.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.34 2qtc n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qtc n TYR 59 N -3.46 2.44 -4.22 3.10 9.36 -1.26 -4.82 117.16 118.30 2qtc n TYR 59 Ca 0.11 -3.05 -0.14 0.00 3.32 0.00 0.00 57.90 58.15 2qtc n TYR 59 Cb 0.51 -2.39 -0.10 0.00 -0.63 0.00 0.00 39.34 36.74 2qtc n TYR 59 CO 0.00 0.00 0.00 0.96 0.22 0.00 0.00 176.86 178.04 2qtc s ILE 60 N 1.61 0.01 0.47 2.97 -4.36 -1.26 -4.82 121.20 115.82 2qtc s ILE 60 Ca 0.67 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.82 2qtc s ILE 60 Cb 0.18 -2.50 -0.08 0.00 1.25 0.00 0.00 42.46 41.31 2qtc s ILE 60 CO -0.07 0.00 1.43 0.20 0.24 0.00 0.00 174.94 176.75 2qtc s ASN 61 N -3.22 5.74 0.14 4.36 0.01 -1.26 -4.70 114.94 116.01 2qtc s ASN 61 Ca 0.39 2.93 -0.10 0.00 -0.71 0.00 0.00 52.86 55.37 2qtc s ASN 61 Cb 0.06 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 2qtc s ASN 61 CO 0.16 -1.27 1.46 0.74 -1.51 0.00 0.00 177.10 176.68 2qtc h THR 62 N 2.16 1.27 -3.11 1.60 2.02 -1.63 -3.39 112.91 111.84 2qtc h THR 62 Ca -0.51 -1.63 -0.69 0.00 0.77 0.00 0.00 66.41 64.36 2qtc h THR 62 Cb 1.27 1.48 -0.18 0.00 -1.74 0.00 0.00 68.15 68.98 2qtc h THR 62 CO 0.60 0.54 0.10 -0.63 0.37 0.00 0.00 175.52 176.50 2qtc s ILE 63 N -4.29 4.83 0.80 3.11 1.01 -1.26 -5.02 121.20 120.38 2qtc s ILE 63 Ca -0.11 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 59.77 2qtc s ILE 63 Cb 0.11 -4.38 0.08 0.00 0.01 0.00 0.00 42.46 38.27 2qtc s ILE 63 CO 0.88 -0.94 1.15 -2.16 0.00 0.00 0.00 174.94 173.87 2qtc s PRO 64 N 2.72 1.83 0.54 2.79 0.04 -1.26 -4.80 135.00 136.85 2qtc s PRO 64 Ca 0.14 1.50 0.23 0.00 0.04 0.00 0.00 61.00 62.91 2qtc s PRO 64 Cb -0.21 -1.82 1.43 0.00 0.04 0.00 0.00 34.50 33.94 2qtc s PRO 64 CO 0.10 -2.02 2.09 -0.24 0.04 0.00 0.00 177.00 176.97 2qtc h VAL 65 N -1.04 0.77 0.00 -0.36 3.04 -1.96 -0.89 116.25 115.81 2qtc h VAL 65 Ca -0.45 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.24 2qtc h VAL 65 Cb 1.27 0.87 -0.00 0.00 -2.01 0.00 0.00 31.29 31.42 2qtc h VAL 65 CO 0.48 0.00 -0.02 -0.33 -1.01 0.00 0.00 177.57 176.69 2qtc h GLU 66 N 0.00 0.00 -0.20 4.17 3.07 -2.03 -2.46 114.58 117.13 2qtc h GLU 66 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 2qtc h GLU 66 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 2qtc h GLU 66 CO -0.00 0.02 0.00 0.39 -1.40 0.00 0.00 179.01 178.02 2qtc n GLU 67 N -3.19 2.89 -2.80 2.33 1.02 -0.36 -4.99 120.64 115.55 2qtc n GLU 67 Ca -0.02 -1.87 -0.42 0.00 -0.02 0.00 0.00 57.16 54.83 2qtc n GLU 67 Cb 0.17 -1.19 -0.03 0.00 -0.02 0.00 0.00 31.44 30.37 2qtc n GLU 67 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2qtc s GLN 68 N -1.11 4.03 0.78 3.49 0.74 -0.93 -4.94 119.66 121.72 2qtc s GLN 68 Ca 0.15 0.84 -0.13 0.00 0.05 0.00 0.00 55.36 56.27 2qtc s GLN 68 Cb 0.08 -3.73 0.07 0.00 1.10 0.00 0.00 33.01 30.54 2qtc s GLN 68 CO 0.09 -0.77 1.17 -1.25 -0.55 0.00 0.00 175.29 173.98 2qtc s PRO 69 N 3.26 1.90 0.28 1.67 0.04 -1.26 -4.94 135.00 135.95 2qtc s PRO 69 Ca 0.39 1.60 -0.29 0.00 0.04 0.00 0.00 61.00 62.73 2qtc s PRO 69 Cb -0.13 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 2qtc s PRO 69 CO 0.13 -1.98 1.36 -1.21 0.04 0.00 0.00 177.00 175.35 2qtc s GLU 70 N -4.25 4.32 0.03 4.56 0.41 -1.26 -4.89 118.70 117.63 2qtc s GLU 70 Ca 0.70 2.23 -0.30 0.00 -0.41 0.00 0.00 54.97 57.19 2qtc s GLU 70 Cb -0.25 -3.10 -0.06 0.00 -1.78 0.00 0.00 34.13 28.93 2qtc s GLU 70 CO 0.50 -0.30 1.41 -0.47 -0.49 0.00 0.00 175.26 175.91 2qtc s TYR 71 N -0.47 2.92 -0.69 1.61 5.04 -1.26 -4.93 117.35 119.57 2qtc s TYR 71 Ca 0.54 0.82 0.25 0.00 -2.44 0.00 0.00 57.07 56.25 2qtc s TYR 71 Cb -0.40 -3.69 0.89 0.00 0.35 0.00 0.00 41.96 39.11 2qtc s TYR 71 CO 0.47 -2.52 1.76 -0.35 -1.34 0.00 0.00 175.55 173.57 2qtc n PRO 72 N 5.02 0.21 -2.92 4.97 -0.04 -1.26 -4.93 135.00 136.06 2qtc n PRO 72 Ca 0.13 0.26 -0.20 0.00 -0.04 0.00 0.00 63.50 63.64 2qtc n PRO 72 Cb 0.43 -1.79 0.07 0.00 -0.04 0.00 0.00 33.50 32.17 2qtc n PRO 72 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2qtc s GLY 73 N -3.51 1.75 -0.73 0.55 0.00 -1.26 -5.04 107.32 99.09 2qtc s GLY 73 Ca 0.09 -2.01 -0.19 0.00 0.00 0.00 0.00 44.72 42.61 2qtc s GLY 73 CO 0.52 -1.54 0.90 0.21 0.00 0.00 0.00 173.10 173.19 2qtc s ASN 74 N -4.66 6.35 0.17 1.64 3.84 -1.26 -4.93 114.94 116.09 2qtc s ASN 74 Ca 0.62 -1.59 -0.16 0.00 0.21 0.00 0.00 52.86 51.94 2qtc s ASN 74 Cb -0.06 -2.35 0.11 0.00 -0.55 0.00 0.00 41.25 38.40 2qtc s ASN 74 CO 0.40 -1.14 1.69 -0.07 -2.79 0.00 0.00 177.10 175.19 2qtc h LEU 75 N 10.29 -0.19 -0.75 3.21 3.38 -1.96 -0.97 115.31 128.32 2qtc h LEU 75 Ca -0.13 0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2qtc h LEU 75 Cb 1.06 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 2qtc h LEU 75 CO 1.10 -0.06 0.16 -0.08 0.09 0.00 0.00 178.44 179.65 2qtc h GLU 76 N 0.09 1.11 -0.23 1.13 4.22 -1.99 -0.84 114.58 118.07 2qtc h GLU 76 Ca 0.20 -0.27 -0.11 0.00 0.08 0.00 0.00 59.36 59.26 2qtc h GLU 76 Cb 0.28 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2qtc h GLU 76 CO -0.34 0.98 -0.29 1.25 -2.18 0.00 0.00 179.01 178.43 2qtc h LEU 77 N 1.06 0.65 -1.48 1.64 5.85 -1.94 -2.41 115.31 118.68 2qtc h LEU 77 Ca 0.22 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.47 2qtc h LEU 77 Cb 0.38 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2qtc h LEU 77 CO 0.00 1.02 0.38 -0.33 -0.34 0.00 0.00 178.44 179.18 2qtc h GLU 78 N 0.30 0.67 -0.26 1.25 5.08 -1.00 -0.84 114.58 119.78 2qtc h GLU 78 Ca 0.03 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2qtc h GLU 78 Cb 0.87 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2qtc h GLU 78 CO 0.07 0.44 -0.28 -0.09 -1.00 0.00 0.00 179.01 178.16 2qtc h ARG 79 N 0.69 0.51 -0.58 2.33 1.12 -0.92 0.66 114.38 118.19 2qtc h ARG 79 Ca 0.23 -0.20 -0.04 0.00 -1.11 0.00 0.00 59.98 58.86 2qtc h ARG 79 Cb 0.06 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 29.97 2qtc h ARG 79 CO -0.06 0.74 0.20 0.00 -3.11 0.00 0.00 179.97 177.74 2qtc h ARG 80 N 0.44 0.88 -0.12 0.20 3.08 -0.68 0.76 114.38 118.95 2qtc h ARG 80 Ca 0.06 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 2qtc h ARG 80 Cb 0.71 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 2qtc h ARG 80 CO 0.05 0.78 -0.00 0.82 -1.07 0.00 0.00 179.97 180.55 2qtc h ILE 81 N 0.81 1.26 -0.83 2.04 2.04 -1.18 -2.89 117.51 118.76 2qtc h ILE 81 Ca 0.19 -0.83 0.03 0.00 1.00 0.00 0.00 64.86 65.25 2qtc h ILE 81 Cb 0.25 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 2qtc h ILE 81 CO -0.01 0.24 0.55 -0.09 0.00 0.00 0.00 178.15 178.83 2qtc h ARG 82 N -0.06 1.03 -0.35 2.37 2.43 -0.64 -1.17 114.38 117.99 2qtc h ARG 82 Ca 0.03 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 2qtc h ARG 82 Cb 0.37 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2qtc h ARG 82 CO 0.01 0.68 -0.04 0.77 -1.51 0.00 0.00 179.97 179.87 2qtc h SER 83 N 1.06 0.55 -0.16 -3.80 0.02 -0.79 0.18 113.55 110.60 2qtc h SER 83 Ca 0.32 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 2qtc h SER 83 Cb -0.02 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 2qtc h SER 83 CO -0.09 0.65 -0.27 0.00 -1.14 0.00 0.00 176.83 175.98 2qtc h ALA 84 N 1.42 0.25 -0.72 3.77 0.00 -1.09 -1.36 119.26 121.53 2qtc h ALA 84 Ca 0.11 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2qtc h ALA 84 Cb 0.41 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2qtc h ALA 84 CO 0.02 0.24 0.45 0.82 0.00 0.00 0.00 179.25 180.78 2qtc h ILE 85 N 0.10 1.10 -0.30 0.00 2.04 -0.95 0.72 117.51 120.20 2qtc h ILE 85 Ca 0.01 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.60 2qtc h ILE 85 Cb 0.85 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2qtc h ILE 85 CO 0.06 0.16 0.13 0.03 0.00 0.00 0.00 178.15 178.53 2qtc h ARG 86 N 0.88 0.28 0.24 2.37 3.08 -0.88 -1.43 114.38 118.92 2qtc h ARG 86 Ca 0.29 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 2qtc h ARG 86 Cb 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2qtc h ARG 86 CO -0.11 0.18 -0.12 2.35 -1.07 0.00 0.00 179.97 181.21 2qtc h TRP 87 N 0.28 -0.30 -0.96 3.04 2.91 -0.65 -2.29 115.95 117.99 2qtc h TRP 87 Ca 0.13 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.16 2qtc h TRP 87 Cb 0.07 0.10 -0.05 0.00 -0.51 0.00 0.00 29.16 28.77 2qtc h TRP 87 CO -0.11 -0.18 0.63 -0.91 -1.03 0.00 0.00 178.44 176.84 2qtc h ASN 88 N -0.34 1.07 -0.23 2.65 2.35 -0.75 0.13 115.58 120.46 2qtc h ASN 88 Ca -0.03 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 2qtc h ASN 88 Cb 0.26 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2qtc h ASN 88 CO 0.05 0.76 0.10 0.00 -1.65 0.00 0.00 177.43 176.70 2qtc h ALA 89 N 1.37 0.27 -0.42 -0.83 0.00 -1.15 0.63 119.26 119.13 2qtc h ALA 89 Ca 0.37 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 2qtc h ALA 89 Cb -0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2qtc h ALA 89 CO -0.10 -0.30 0.20 0.82 0.00 0.00 0.00 179.25 179.87 2qtc h ILE 90 N 0.23 1.18 -0.98 0.00 2.04 -0.84 -2.40 117.51 116.74 2qtc h ILE 90 Ca 0.10 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.47 2qtc h ILE 90 Cb 0.04 0.75 -0.05 0.00 -0.74 0.00 0.00 36.82 36.81 2qtc h ILE 90 CO -0.07 0.20 0.64 0.24 0.00 0.00 0.00 178.15 179.15 2qtc h MET 91 N 0.54 1.23 -0.31 2.37 2.86 -0.40 0.77 114.93 121.97 2qtc h MET 91 Ca 0.14 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2qtc h MET 91 Cb 0.13 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 2qtc h MET 91 CO -0.02 0.81 0.16 1.15 1.06 0.00 0.00 176.91 180.08 2qtc h THR 92 N 1.26 1.00 -0.32 2.22 2.02 -0.44 0.54 112.91 119.20 2qtc h THR 92 Ca 0.38 -0.12 -0.18 0.00 0.77 0.00 0.00 66.41 67.27 2qtc h THR 92 Cb -0.05 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 66.99 2qtc h THR 92 CO -0.11 0.06 -0.50 0.58 0.37 0.00 0.00 175.52 175.92 2qtc h VAL 93 N 0.34 1.27 -0.59 3.16 2.07 -1.01 -2.69 116.25 118.80 2qtc h VAL 93 Ca 0.13 -1.68 -0.06 0.00 0.82 0.00 0.00 66.70 65.91 2qtc h VAL 93 Cb 0.04 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2qtc h VAL 93 CO -0.08 0.55 0.13 -0.07 0.02 0.00 0.00 177.57 178.11 2qtc h LEU 94 N 0.69 0.91 -1.14 2.57 3.38 -0.63 -1.37 115.31 119.73 2qtc h LEU 94 Ca 0.03 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2qtc h LEU 94 Cb 1.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2qtc h LEU 94 CO 0.11 0.92 0.14 0.03 0.09 0.00 0.00 178.44 179.74 2qtc h ARG 95 N 0.86 0.75 -0.50 1.13 3.08 -0.92 -1.43 114.38 117.35 2qtc h ARG 95 Ca 0.18 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.99 2qtc h ARG 95 Cb 0.38 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2qtc h ARG 95 CO 0.01 0.66 -0.11 0.00 -1.07 0.00 0.00 179.97 179.46 2qtc h ALA 96 N 1.43 0.84 -0.49 0.04 0.00 -1.12 -3.00 119.26 116.96 2qtc h ALA 96 Ca 0.17 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2qtc h ALA 96 Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2qtc h ALA 96 CO -0.01 0.65 0.05 0.77 0.00 0.00 0.00 179.25 180.72 2qtc h SER 97 N 0.84 0.73 -0.13 0.00 0.02 -0.67 -2.64 113.55 111.70 2qtc h SER 97 Ca 0.13 -0.15 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2qtc h SER 97 Cb 0.66 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2qtc h SER 97 CO 0.05 0.76 0.09 0.50 -1.14 0.00 0.00 176.83 177.09 2qtc h LYS 98 N 0.73 0.00 0.00 3.45 3.64 -1.13 -0.47 116.57 122.79 2qtc h LYS 98 Ca 0.15 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2qtc h LYS 98 Cb 0.37 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2qtc h LYS 98 CO 0.01 0.00 -0.03 0.87 -2.27 0.00 0.00 179.45 178.03 2qtc h LYS 99 N 0.00 0.00 -5.93 1.90 1.57 -1.49 -3.46 116.57 109.16 2qtc h LYS 99 Ca 0.06 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.45 2qtc h LYS 99 Cb 0.25 0.00 0.10 0.00 0.08 0.00 0.00 32.23 32.66 2qtc h LYS 99 CO -0.00 0.03 -0.77 -3.47 -0.57 0.00 0.00 179.45 174.67 2qtc n ASP 100 N -3.23 -2.89 -0.43 0.86 2.03 -0.19 -4.91 116.55 107.80 2qtc n ASP 100 Ca -0.01 -0.70 0.08 0.00 0.52 0.00 0.00 54.79 54.68 2qtc n ASP 100 Cb 0.21 -4.57 0.18 0.00 -0.72 0.00 0.00 41.12 36.22 2qtc n ASP 100 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2qtc n LEU 101 N -4.41 2.90 -3.98 -2.67 4.77 -1.26 -4.97 117.00 107.37 2qtc n LEU 101 Ca -0.19 -3.27 -0.30 0.00 -0.03 0.00 0.00 56.01 52.21 2qtc n LEU 101 Cb 0.63 -0.49 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2qtc n LEU 101 CO 0.66 0.86 0.01 -0.62 -1.33 0.00 0.00 177.39 176.97 2qtc n GLU 102 N -1.16 -4.53 -0.02 3.23 -0.58 -1.26 -4.87 120.64 111.46 2qtc n GLU 102 Ca 0.19 0.51 -0.15 0.00 -0.42 0.00 0.00 57.16 57.30 2qtc n GLU 102 Cb 0.74 -5.23 -0.03 0.00 -0.57 0.00 0.00 31.44 26.35 2qtc n GLU 102 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2qtc h LEU 103 N -1.87 0.83 0.00 -4.62 3.38 -1.93 -3.49 115.31 107.60 2qtc h LEU 103 Ca -0.59 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 56.86 2qtc h LEU 103 Cb 1.38 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2qtc h LEU 103 CO 0.69 1.30 0.00 0.61 0.09 0.00 0.00 178.44 181.12 2qtc n GLY 104 N 0.57 -1.85 0.00 0.83 0.00 -1.26 -5.02 105.19 98.45 2qtc n GLY 104 Ca -0.06 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2qtc n GLY 104 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qtc n GLY 105 N 0.00 3.35 3.38 -0.02 0.00 -1.26 -4.82 105.19 105.83 2qtc n GLY 105 Ca 0.00 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 43.97 2qtc n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qtc s HIS 106 N -2.30 1.85 0.00 1.61 3.76 -1.26 -5.05 115.29 113.89 2qtc s HIS 106 Ca 0.00 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.32 2qtc s HIS 106 Cb 0.00 -0.92 0.00 0.00 1.11 0.00 0.00 32.58 32.77 2qtc s HIS 106 CO 0.00 0.37 0.00 -1.33 -0.85 0.00 0.00 174.74 172.93 2qtc n MET 107 N -0.47 0.00 -0.24 1.40 2.81 -1.26 -4.85 117.12 114.51 2qtc n MET 107 Ca -0.07 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.80 2qtc n MET 107 Cb 0.61 -0.35 0.09 0.00 -0.71 0.00 0.00 33.22 32.87 2qtc n MET 107 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qtc h ALA 108 N 0.00 0.90 0.19 3.04 0.00 -1.96 -2.05 119.26 119.38 2qtc h ALA 108 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2qtc h ALA 108 Cb 0.11 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qtc h ALA 108 CO 0.00 0.08 -0.09 1.03 0.00 0.00 0.00 179.25 180.27 2qtc h SER 109 N 0.72 -0.21 -0.27 0.00 0.87 -1.91 -2.53 113.55 110.22 2qtc h SER 109 Ca 0.30 -0.11 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2qtc h SER 109 Cb 0.15 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2qtc h SER 109 CO -0.17 -0.01 0.11 0.15 -0.53 0.00 0.00 176.83 176.38 2qtc h PHE 110 N -0.41 0.47 -0.24 2.24 3.57 -1.82 -0.81 116.94 119.95 2qtc h PHE 110 Ca -0.03 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 2qtc h PHE 110 Cb 0.31 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2qtc h PHE 110 CO -0.02 0.39 0.12 1.96 -2.23 0.00 0.00 178.31 178.53 2qtc h GLN 111 N 0.47 0.32 0.00 1.11 1.08 -1.19 0.12 115.11 117.02 2qtc h GLN 111 Ca 0.12 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.20 2qtc h GLN 111 Cb 0.14 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2qtc h GLN 111 CO -0.01 0.25 -0.48 0.66 -0.95 0.00 0.00 178.83 178.30 2qtc h SER 112 N 0.32 0.00 -0.01 1.46 4.64 -0.79 -3.36 113.55 115.81 2qtc h SER 112 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2qtc h SER 112 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2qtc h SER 112 CO -0.01 0.41 -0.07 -1.54 -0.87 0.00 0.00 176.83 174.75 2qtc n SER 113 N -3.18 1.65 -0.24 4.97 3.41 -0.83 -4.63 113.62 114.77 2qtc n SER 113 Ca 0.02 -1.32 0.05 0.00 -0.26 0.00 0.00 58.87 57.35 2qtc n SER 113 Cb 0.70 0.16 0.17 0.00 -0.26 0.00 0.00 64.21 64.99 2qtc n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qtc h ALA 114 N 1.95 0.91 0.00 7.33 0.00 -0.93 -0.29 119.26 128.23 2qtc h ALA 114 Ca 0.00 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2qtc h ALA 114 Cb 0.40 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2qtc h ALA 114 CO 0.00 -0.35 -0.42 1.15 0.00 0.00 0.00 179.25 179.63 2qtc h THR 115 N 0.24 1.26 0.01 0.00 2.02 -1.85 0.92 112.91 115.52 2qtc h THR 115 Ca 0.41 -1.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 2qtc h THR 115 Cb 0.69 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2qtc h THR 115 CO -0.52 0.41 -0.01 0.40 0.37 0.00 0.00 175.52 176.17 2qtc h ILE 116 N 0.00 1.21 -0.73 3.11 2.04 -1.27 -1.87 117.51 119.99 2qtc h ILE 116 Ca -0.00 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 2qtc h ILE 116 Cb 0.76 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.47 2qtc h ILE 116 CO 0.05 0.17 0.32 1.88 0.00 0.00 0.00 178.15 180.58 2qtc h TYR 117 N -0.31 1.08 -0.86 1.37 0.05 -1.21 -2.88 116.97 114.21 2qtc h TYR 117 Ca -0.00 -0.07 0.05 0.00 0.05 0.00 0.00 58.73 58.76 2qtc h TYR 117 Cb 0.30 -0.33 -0.06 0.00 1.01 0.00 0.00 36.73 37.65 2qtc h TYR 117 CO 0.02 0.82 0.54 0.22 -1.05 0.00 0.00 178.16 178.71 2qtc h ASP 118 N 1.04 0.87 -0.57 3.88 3.58 -0.58 0.50 116.42 125.14 2qtc h ASP 118 Ca 0.25 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.63 2qtc h ASP 118 Cb 0.16 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2qtc h ASP 118 CO -0.03 0.57 0.08 0.58 -2.88 0.00 0.00 179.24 177.56 2qtc h VAL 119 N 1.01 1.25 -0.57 2.25 2.07 -1.25 -1.46 116.25 119.55 2qtc h VAL 119 Ca 0.37 -1.01 -0.10 0.00 0.82 0.00 0.00 66.70 66.77 2qtc h VAL 119 Cb 0.12 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2qtc h VAL 119 CO -0.15 0.37 -0.04 0.00 0.02 0.00 0.00 177.57 177.77 2qtc h PHE 121 N 0.92 0.00 0.00 0.00 0.04 -0.67 0.19 116.94 117.42 2qtc h PHE 121 Ca 0.16 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.66 2qtc h PHE 121 Cb 0.60 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.71 2qtc h PHE 121 CO 0.04 0.42 -1.53 -0.91 -0.60 0.00 0.00 178.31 175.74 2qtc h ASN 122 N 0.00 0.00 0.00 2.17 2.35 -1.06 -3.42 115.58 115.62 2qtc h ASN 122 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2qtc h ASN 122 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 2qtc h ASN 122 CO 0.06 0.95 0.00 1.41 -1.65 0.00 0.00 177.43 178.20 2qtc n HIS 123 N -3.09 0.00 0.01 1.19 8.25 0.01 -4.84 115.22 116.75 2qtc n HIS 123 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2qtc n HIS 123 Cb 1.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.12 2qtc n HIS 123 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2qtc n PHE 124 N -0.19 -0.19 -1.45 4.41 3.72 -0.06 -5.01 117.46 118.68 2qtc n PHE 124 Ca 0.00 0.03 -0.50 0.00 -0.05 0.00 0.00 57.45 56.93 2qtc n PHE 124 Cb 0.08 0.32 -0.07 0.00 -0.94 0.00 0.00 39.48 38.87 2qtc n PHE 124 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2qtc n PHE 125 N -2.78 1.61 -3.10 1.38 3.72 0.47 -4.94 117.46 113.81 2qtc n PHE 125 Ca 0.00 0.25 -0.40 0.00 -0.05 0.00 0.00 57.45 57.26 2qtc n PHE 125 Cb 0.17 -2.54 -0.05 0.00 -0.94 0.00 0.00 39.48 36.11 2qtc n PHE 125 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2qtc s ARG 126 N 6.26 4.36 0.77 -1.08 0.52 -1.26 -4.84 118.95 123.67 2qtc s ARG 126 Ca 1.09 0.76 -0.09 0.00 -0.52 0.00 0.00 55.73 56.97 2qtc s ARG 126 Cb -0.82 -3.49 0.08 0.00 0.52 0.00 0.00 34.95 31.24 2qtc s ARG 126 CO 0.48 -0.02 1.10 0.00 0.02 0.00 0.00 175.30 176.88 2qtc s ALA 127 N 1.15 2.91 0.40 2.13 0.00 -0.32 -0.07 121.76 127.96 2qtc s ALA 127 Ca 0.34 -0.88 -0.27 0.00 0.00 0.00 0.00 51.96 51.14 2qtc s ALA 127 Cb -0.17 -2.72 -0.10 0.00 0.00 0.00 0.00 23.12 20.13 2qtc s ALA 127 CO 0.14 -1.55 1.45 0.50 0.00 0.00 0.00 175.76 176.31 2qtc s ARG 128 N -5.42 3.95 0.09 0.00 3.52 -1.25 -3.89 118.95 115.95 2qtc s ARG 128 Ca 0.62 2.49 0.01 0.00 -0.13 0.00 0.00 55.73 58.72 2qtc s ARG 128 Cb -0.10 -2.85 -0.00 0.00 -1.56 0.00 0.00 34.95 30.44 2qtc s ARG 128 CO 0.47 -0.63 0.11 0.27 -0.81 0.00 0.00 175.30 174.71 2qtc n ASN 129 N 0.21 -0.28 0.20 -2.12 0.23 -0.66 -4.79 115.26 108.05 2qtc n ASN 129 Ca 0.03 -1.54 0.06 0.00 -0.53 0.00 0.00 54.58 52.60 2qtc n ASN 129 Cb 0.40 0.57 0.39 0.00 -2.08 0.00 0.00 39.78 39.07 2qtc n ASN 129 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2qtc h GLU 130 N 0.00 0.00 0.00 -3.83 4.11 -1.96 -3.32 114.58 109.58 2qtc h GLU 130 Ca -0.07 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.32 2qtc h GLU 130 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2qtc h GLU 130 CO 0.10 0.34 -0.22 1.96 0.07 0.00 0.00 179.01 181.25 2qtc h GLN 131 N 0.00 0.00 0.00 1.06 7.50 -1.98 -3.49 115.11 118.20 2qtc h GLN 131 Ca -0.00 0.00 -0.32 0.00 0.50 0.00 0.00 58.65 58.82 2qtc h GLN 131 Cb 0.80 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 28.25 2qtc h GLN 131 CO 0.04 0.99 -0.26 -0.40 -1.50 0.00 0.00 178.83 177.71 2qtc n ASP 132 N -4.58 -0.90 -0.17 1.46 5.68 -1.25 -4.84 116.55 111.94 2qtc n ASP 132 Ca -0.14 -2.76 0.06 0.00 -0.50 0.00 0.00 54.79 51.46 2qtc n ASP 132 Cb 0.51 1.83 0.29 0.00 -1.14 0.00 0.00 41.12 42.61 2qtc n ASP 132 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qtc n GLY 133 N -0.52 -0.58 5.31 6.12 0.00 -1.26 -1.65 105.19 112.61 2qtc n GLY 133 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2qtc n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qtc n GLY 134 N 0.78 -2.15 3.78 -0.02 0.00 -1.25 -3.82 105.19 102.51 2qtc n GLY 134 Ca 0.09 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 2qtc n GLY 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qtc s ASP 135 N -3.53 6.69 -0.47 1.61 1.01 0.90 -4.56 116.67 118.33 2qtc s ASP 135 Ca 0.00 2.15 -0.12 0.00 0.71 0.00 0.00 52.55 55.29 2qtc s ASP 135 Cb 0.00 -2.60 0.10 0.00 1.01 0.00 0.00 42.92 41.43 2qtc s ASP 135 CO 0.00 -0.55 0.36 -0.76 0.21 0.00 0.00 175.17 174.44 2qtc s LEU 136 N -2.56 5.61 -0.31 1.23 1.43 -0.19 -4.87 118.68 119.03 2qtc s LEU 136 Ca 0.57 -1.61 -0.13 0.00 -1.03 0.00 0.00 54.13 51.93 2qtc s LEU 136 Cb -0.25 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 2qtc s LEU 136 CO 0.32 -0.67 0.25 -0.69 0.23 0.00 0.00 176.35 175.79 2qtc s VAL 137 N 1.50 5.27 -1.12 -1.59 1.01 -1.26 -0.80 120.40 123.41 2qtc s VAL 137 Ca 0.04 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 2qtc s VAL 137 Cb -0.26 -3.66 0.22 0.00 0.00 0.00 0.00 36.38 32.69 2qtc s VAL 137 CO 0.03 0.09 1.22 -0.31 0.00 0.00 0.00 175.10 176.13 2qtc s TYR 138 N 1.80 3.86 0.22 5.22 1.51 0.57 -4.76 117.35 125.78 2qtc s TYR 138 Ca 0.08 -2.35 -0.32 0.00 -1.01 0.00 0.00 57.07 53.47 2qtc s TYR 138 Cb -0.17 -4.06 -0.12 0.00 -0.11 0.00 0.00 41.96 37.50 2qtc s TYR 138 CO 0.11 -1.16 1.64 1.19 -1.11 0.00 0.00 175.55 176.22 2qtc n PHE 139 N 4.19 2.63 -1.68 2.71 3.72 -1.26 -2.02 117.46 125.76 2qtc n PHE 139 Ca 0.28 0.16 -0.46 0.00 -0.05 0.00 0.00 57.45 57.39 2qtc n PHE 139 Cb 0.42 -2.61 -0.04 0.00 -0.94 0.00 0.00 39.48 36.30 2qtc n PHE 139 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2qtc n GLN 140 N 3.32 2.23 -0.12 -1.08 7.27 -1.23 -4.71 117.38 123.07 2qtc n GLN 140 Ca 0.14 0.81 -0.05 0.00 0.07 0.00 0.00 57.00 57.97 2qtc n GLN 140 Cb 0.34 -2.59 0.03 0.00 2.41 0.00 0.00 30.24 30.43 2qtc n GLN 140 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 2qtc h GLY 141 N 6.15 0.44 0.33 1.69 0.00 -1.88 -2.60 103.07 107.19 2qtc h GLY 141 Ca -0.45 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2qtc h GLY 141 CO 0.90 -0.07 0.00 -2.39 0.00 0.00 0.00 176.54 174.98 2qtc n HIS 142 N -5.15 0.00 -0.47 5.60 -0.00 -1.26 -2.27 115.22 111.67 2qtc n HIS 142 Ca 0.03 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.85 2qtc n HIS 142 Cb 0.20 0.00 0.34 0.00 -0.00 0.00 0.00 29.99 30.53 2qtc n HIS 142 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.34 176.78 2qtc n ILE 143 N -0.66 1.53 -0.33 0.61 -6.64 -0.98 -4.59 119.36 108.30 2qtc n ILE 143 Ca 0.07 -1.09 0.18 0.00 -1.77 0.00 0.00 62.75 60.14 2qtc n ILE 143 Cb 0.03 0.23 0.42 0.00 -1.44 0.00 0.00 39.64 38.88 2qtc n ILE 143 CO 0.00 0.00 0.00 0.77 -1.77 0.00 0.00 176.55 175.55 2qtc h SER 144 N 4.09 0.60 -0.55 7.28 4.64 -1.61 -1.02 113.55 126.98 2qtc h SER 144 Ca 0.00 0.10 0.09 0.00 -0.47 0.00 0.00 61.79 61.50 2qtc h SER 144 Cb 1.28 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.34 2qtc h SER 144 CO 0.16 0.15 0.37 -0.65 -0.87 0.00 0.00 176.83 175.99 2qtc h PRO 145 N 0.55 0.38 -0.23 4.77 0.11 -1.87 0.54 132.00 136.25 2qtc h PRO 145 Ca 0.60 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 66.52 2qtc h PRO 145 Cb 1.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2qtc h PRO 145 CO -0.36 0.25 -0.51 0.78 -0.21 0.00 0.00 178.00 177.96 2qtc h GLY 146 N 0.40 0.70 0.85 -0.55 0.00 -1.52 -0.39 103.07 102.56 2qtc h GLY 146 Ca 0.25 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 2qtc h GLY 146 CO -0.07 0.71 0.03 -2.08 0.00 0.00 0.00 176.54 175.13 2qtc h VAL 147 N 0.50 1.24 -0.84 4.60 2.07 -1.16 -1.28 116.25 121.39 2qtc h VAL 147 Ca 0.02 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2qtc h VAL 147 Cb 1.06 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 2qtc h VAL 147 CO 0.10 0.25 0.53 1.88 0.02 0.00 0.00 177.57 180.35 2qtc h TYR 148 N 0.19 1.08 0.05 1.57 0.05 -0.91 -0.05 116.97 118.95 2qtc h TYR 148 Ca 0.07 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 2qtc h TYR 148 Cb 0.35 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.73 2qtc h TYR 148 CO 0.02 0.70 -0.03 0.00 -1.05 0.00 0.00 178.16 177.81 2qtc h ALA 149 N 1.44 -0.07 -0.45 3.88 0.00 -0.82 0.24 119.26 123.48 2qtc h ALA 149 Ca 0.30 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2qtc h ALA 149 Cb -0.09 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2qtc h ALA 149 CO -0.06 -0.48 0.28 -0.09 0.00 0.00 0.00 179.25 178.90 2qtc h ARG 150 N -0.20 0.55 -0.52 0.00 2.43 -1.01 -0.87 114.38 114.77 2qtc h ARG 150 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2qtc h ARG 150 Cb 0.18 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2qtc h ARG 150 CO 0.01 0.37 0.27 0.00 -1.51 0.00 0.00 179.97 179.10 2qtc h ALA 151 N 1.18 1.50 -0.07 2.80 0.00 -0.80 0.18 119.26 124.05 2qtc h ALA 151 Ca 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2qtc h ALA 151 Cb -0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2qtc h ALA 151 CO -0.06 0.41 0.01 0.35 0.00 0.00 0.00 179.25 179.95 2qtc h PHE 152 N 0.72 0.12 -0.33 0.00 3.57 -0.58 0.56 116.94 120.99 2qtc h PHE 152 Ca 0.18 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.70 2qtc h PHE 152 Cb 0.05 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2qtc h PHE 152 CO 0.00 0.36 0.22 1.25 -2.23 0.00 0.00 178.31 177.92 2qtc h LEU 153 N -0.15 0.24 -0.31 0.59 5.85 -0.15 0.47 115.31 121.85 2qtc h LEU 153 Ca 0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2qtc h LEU 153 Cb 0.31 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2qtc h LEU 153 CO 0.00 0.17 0.00 -0.62 -0.34 0.00 0.00 178.44 177.65 2qtc n GLU 154 N -4.48 1.20 -1.50 1.25 1.02 0.53 -4.78 120.64 113.88 2qtc n GLU 154 Ca 0.03 -0.31 -0.08 0.00 -0.02 0.00 0.00 57.16 56.79 2qtc n GLU 154 Cb 0.20 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 2qtc n GLU 154 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qtc n GLY 155 N 0.86 0.73 0.07 0.62 0.00 0.17 -4.92 105.19 102.72 2qtc n GLY 155 Ca 0.13 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.63 2qtc n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qtc n ARG 156 N -2.48 0.56 -4.21 1.61 1.74 0.19 -4.89 116.66 109.18 2qtc n ARG 156 Ca -0.09 0.01 -0.19 0.00 -0.77 0.00 0.00 57.85 56.82 2qtc n ARG 156 Cb 0.35 -1.70 -0.12 0.00 -1.02 0.00 0.00 32.46 29.97 2qtc n ARG 156 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qtc s LEU 157 N -4.87 2.26 0.51 0.55 1.43 -1.15 -4.93 118.68 112.47 2qtc s LEU 157 Ca -0.02 -0.60 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 2qtc s LEU 157 Cb 0.12 -0.57 0.02 0.00 0.03 0.00 0.00 46.19 45.79 2qtc s LEU 157 CO 0.82 -0.04 0.71 0.42 0.23 0.00 0.00 176.35 178.49 2qtc s THR 158 N -1.20 2.98 0.28 5.49 -4.23 -1.26 -4.48 115.64 113.22 2qtc s THR 158 Ca -0.01 -0.71 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 2qtc s THR 158 Cb -0.10 -3.09 0.06 0.00 1.34 0.00 0.00 72.50 70.72 2qtc s THR 158 CO 0.02 -0.06 1.72 -0.61 -0.54 0.00 0.00 174.62 175.15 2qtc h GLN 159 N 0.24 0.46 0.00 3.99 4.15 -2.00 -2.37 115.11 119.58 2qtc h GLN 159 Ca -0.42 -0.18 -0.06 0.00 0.77 0.00 0.00 58.65 58.75 2qtc h GLN 159 Cb 1.29 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.94 2qtc h GLN 159 CO 0.52 0.69 -0.31 1.05 -1.93 0.00 0.00 178.83 178.85 2qtc h GLU 160 N 0.40 0.00 -0.12 1.69 4.11 -1.94 -0.36 114.58 118.36 2qtc h GLU 160 Ca 0.06 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.44 2qtc h GLU 160 Cb 0.68 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2qtc h GLU 160 CO 0.05 0.31 -0.12 1.96 0.07 0.00 0.00 179.01 181.27 2qtc h GLN 161 N 0.00 0.30 -0.85 1.06 4.20 -1.62 -2.23 115.11 115.97 2qtc h GLN 161 Ca -0.00 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.56 2qtc h GLN 161 Cb 0.62 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 2qtc h GLN 161 CO 0.04 0.70 0.57 -0.07 -0.67 0.00 0.00 178.83 179.40 2qtc h LEU 162 N -0.09 0.97 -0.24 1.46 3.38 -1.00 0.16 115.31 119.96 2qtc h LEU 162 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qtc h LEU 162 Cb 0.65 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2qtc h LEU 162 CO 0.03 0.70 0.00 0.47 0.09 0.00 0.00 178.44 179.73 2qtc n ASP 163 N -4.41 0.20 -1.19 -0.43 8.00 -0.18 -1.55 116.55 116.99 2qtc n ASP 163 Ca 0.10 0.55 0.03 0.00 0.71 0.00 0.00 54.79 56.18 2qtc n ASP 163 Cb 0.04 -0.59 0.26 0.00 -0.02 0.00 0.00 41.12 40.80 2qtc n ASP 163 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2qtc n ASN 164 N -1.72 3.83 -4.68 -2.24 3.02 0.55 -4.94 115.26 109.08 2qtc n ASN 164 Ca 0.03 -3.21 -0.47 0.00 -0.03 0.00 0.00 54.58 50.89 2qtc n ASN 164 Cb 0.17 -0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 38.69 2qtc n ASN 164 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2qtc n PHE 165 N -0.54 2.30 -1.42 3.10 7.35 -0.59 -1.07 117.46 126.58 2qtc n PHE 165 Ca 0.28 0.11 -0.12 0.00 -0.76 0.00 0.00 57.45 56.95 2qtc n PHE 165 Cb 1.03 -2.61 -0.05 0.00 0.35 0.00 0.00 39.48 38.20 2qtc n PHE 165 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2qtc n ARG 166 N 5.33 -0.86 -3.61 -4.13 1.74 0.30 -4.88 116.66 110.55 2qtc n ARG 166 Ca 0.20 0.90 -0.29 0.00 -0.77 0.00 0.00 57.85 57.89 2qtc n ARG 166 Cb 0.29 -4.94 -0.13 0.00 -1.02 0.00 0.00 32.46 26.67 2qtc n ARG 166 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qtc s GLN 167 N -3.16 0.97 -0.00 5.56 -0.21 -0.23 -4.98 119.66 117.60 2qtc s GLN 167 Ca 0.00 -1.70 0.14 0.00 0.02 0.00 0.00 55.36 53.82 2qtc s GLN 167 Cb 0.00 -1.91 -0.17 0.00 1.00 0.00 0.00 33.01 31.94 2qtc s GLN 167 CO 0.00 -1.17 0.51 0.39 -2.12 0.00 0.00 175.29 172.90 2qtc n GLU 168 N 3.79 1.97 -0.36 2.91 1.02 -1.26 -3.95 120.64 124.76 2qtc n GLU 168 Ca 0.10 -0.03 0.09 0.00 -0.02 0.00 0.00 57.16 57.29 2qtc n GLU 168 Cb 0.36 -1.19 0.27 0.00 -0.02 0.00 0.00 31.44 30.85 2qtc n GLU 168 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2qtc h VAL 169 N 0.00 0.87 -0.11 2.62 2.07 -1.97 -2.02 116.25 117.71 2qtc h VAL 169 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2qtc h VAL 169 Cb 0.40 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2qtc h VAL 169 CO 0.00 0.17 0.00 1.41 0.02 0.00 0.00 177.57 179.17 2qtc n HIS 170 N -4.65 0.14 0.00 1.57 8.25 -1.26 -4.95 115.22 114.32 2qtc n HIS 170 Ca 0.20 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2qtc n HIS 170 Cb 0.41 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2qtc n HIS 170 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qtc n GLY 171 N 0.91 1.73 2.38 -1.41 0.00 -0.76 -4.94 105.19 103.10 2qtc n GLY 171 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2qtc n GLY 171 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qtc n ASN 172 N 0.00 4.03 -2.16 1.61 4.05 -1.26 -5.05 115.26 116.47 2qtc n ASN 172 Ca 0.00 -3.42 -0.02 0.00 0.45 0.00 0.00 54.58 51.59 2qtc n ASN 172 Cb 0.00 -0.43 -0.00 0.00 1.23 0.00 0.00 39.78 40.58 2qtc n ASN 172 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2qtc n GLY 173 N -0.52 3.72 3.07 8.20 0.00 -1.25 -4.24 105.19 114.17 2qtc n GLY 173 Ca 0.33 -2.20 -0.23 0.00 0.00 0.00 0.00 46.02 43.92 2qtc n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qtc s LEU 174 N 0.00 1.85 0.67 0.99 1.43 -1.00 -4.92 118.68 117.70 2qtc s LEU 174 Ca 0.01 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 52.67 2qtc s LEU 174 Cb -0.00 -0.77 0.01 0.00 0.03 0.00 0.00 46.19 45.46 2qtc s LEU 174 CO 0.00 0.11 1.19 -0.44 0.23 0.00 0.00 176.35 177.44 2qtc s SER 175 N 0.13 4.68 0.22 2.29 0.01 -1.26 -0.54 113.70 119.24 2qtc s SER 175 Ca -0.04 2.31 -0.08 0.00 1.31 0.00 0.00 55.95 59.46 2qtc s SER 175 Cb -0.10 -2.59 0.28 0.00 0.21 0.00 0.00 66.02 63.82 2qtc s SER 175 CO 0.01 -1.93 1.83 0.77 0.41 0.00 0.00 173.24 174.33 2qtc h SER 176 N 0.16 0.68 -4.73 2.44 4.64 -1.97 -3.43 113.55 111.35 2qtc h SER 176 Ca -0.48 0.02 -0.48 0.00 -0.47 0.00 0.00 61.79 60.38 2qtc h SER 176 Cb 1.29 -0.11 -0.13 0.00 -0.31 0.00 0.00 62.40 63.13 2qtc h SER 176 CO 0.52 0.43 -0.51 -0.31 -0.87 0.00 0.00 176.83 176.09 2qtc s TYR 177 N -6.08 1.71 -0.63 4.77 2.02 -1.26 -4.74 117.35 113.14 2qtc s TYR 177 Ca -0.13 -1.47 -0.26 0.00 -0.37 0.00 0.00 57.07 54.84 2qtc s TYR 177 Cb 0.17 -0.89 -0.07 0.00 -0.40 0.00 0.00 41.96 40.78 2qtc s TYR 177 CO 0.77 -0.61 2.22 -2.14 -1.57 0.00 0.00 175.55 174.22 2qtc s PRO 178 N -3.63 2.18 -0.36 -1.71 0.02 -1.26 -4.90 135.00 125.34 2qtc s PRO 178 Ca 0.34 0.81 0.01 0.00 0.02 0.00 0.00 61.00 62.18 2qtc s PRO 178 Cb 0.03 -4.64 0.11 0.00 0.02 0.00 0.00 34.50 30.02 2qtc s PRO 178 CO 0.21 -3.40 0.13 -1.01 -0.33 0.00 0.00 177.00 172.60 2qtc s HIS 179 N 11.71 2.18 0.33 6.54 3.76 -1.26 -3.80 115.29 134.75 2qtc s HIS 179 Ca 0.85 -2.18 0.06 0.00 -0.15 0.00 0.00 55.06 53.64 2qtc s HIS 179 Cb -0.14 -2.00 0.71 0.00 1.11 0.00 0.00 32.58 32.26 2qtc s HIS 179 CO 0.18 -0.86 1.88 -1.35 -0.85 0.00 0.00 174.74 173.74 2qtc h PRO 180 N 7.60 0.79 -0.40 8.40 0.11 -1.77 -0.96 132.00 145.76 2qtc h PRO 180 Ca -0.08 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.99 2qtc h PRO 180 Cb 0.99 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 2qtc h PRO 180 CO 0.49 0.52 0.27 -0.22 -0.21 0.00 0.00 178.00 178.85 2qtc h LYS 181 N 0.81 0.49 0.03 1.05 1.63 -1.50 0.00 116.57 119.08 2qtc h LYS 181 Ca 0.43 -0.03 -0.29 0.00 -0.85 0.00 0.00 60.65 59.91 2qtc h LYS 181 Cb 0.53 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 32.01 2qtc h LYS 181 CO -0.19 0.32 -1.65 -0.07 -3.45 0.00 0.00 179.45 174.41 2qtc h LEU 182 N 0.50 0.10 -6.19 5.20 4.07 -1.54 -3.40 115.31 114.06 2qtc h LEU 182 Ca 0.15 -0.20 -0.58 0.00 0.08 0.00 0.00 57.88 57.34 2qtc h LEU 182 Cb 0.00 -0.03 -0.40 0.00 1.08 0.00 0.00 40.66 41.31 2qtc h LEU 182 CO -0.03 1.17 -0.92 0.23 -1.08 0.00 0.00 178.44 177.81 2qtc n MET 183 N -3.19 1.17 0.19 1.13 2.81 -0.52 -4.98 117.12 113.73 2qtc n MET 183 Ca -0.17 -3.68 0.12 0.00 -1.81 0.00 0.00 57.70 52.16 2qtc n MET 183 Cb 1.04 -1.63 0.63 0.00 -0.71 0.00 0.00 33.22 32.55 2qtc n MET 183 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2qtc h PRO 184 N 4.41 0.00 -0.16 0.03 0.13 -1.23 -1.64 132.00 133.54 2qtc h PRO 184 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2qtc h PRO 184 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2qtc h PRO 184 CO 0.56 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.72 2qtc n GLU 185 N -2.34 1.64 0.00 0.86 1.02 -1.26 -4.24 120.64 116.32 2qtc n GLU 185 Ca -0.02 -1.66 -0.00 0.00 -0.02 0.00 0.00 57.16 55.46 2qtc n GLU 185 Cb 0.11 -1.31 -0.00 0.00 -0.02 0.00 0.00 31.44 30.22 2qtc n GLU 185 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2qtc n PHE 186 N 0.86 0.00 -2.29 -0.32 7.35 -0.64 -1.38 117.46 121.04 2qtc n PHE 186 Ca 0.11 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.47 2qtc n PHE 186 Cb 0.41 -0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.22 2qtc n PHE 186 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 2qtc s TRP 187 N -1.05 3.23 0.00 -5.13 0.52 -1.10 -2.29 118.94 113.12 2qtc s TRP 187 Ca -0.00 1.50 0.00 0.00 0.02 0.00 0.00 56.10 57.62 2qtc s TRP 187 Cb 0.00 -2.90 0.00 0.00 -1.15 0.00 0.00 33.47 29.42 2qtc s TRP 187 CO 0.00 -0.68 0.00 1.04 0.02 0.00 0.00 176.95 177.33 2qtc n GLN 188 N -1.66 0.00 -4.02 4.98 6.02 -1.26 -4.39 117.38 117.05 2qtc n GLN 188 Ca 0.08 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.76 2qtc n GLN 188 Cb 0.53 -0.90 -0.16 0.00 1.02 0.00 0.00 30.24 30.73 2qtc n GLN 188 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2qtc s PHE 189 N -1.87 2.39 -0.36 1.08 0.08 -1.26 -4.83 117.98 113.21 2qtc s PHE 189 Ca 0.00 -1.49 -0.28 0.00 0.12 0.00 0.00 56.93 55.27 2qtc s PHE 189 Cb 0.00 -1.66 -0.01 0.00 -0.57 0.00 0.00 43.02 40.78 2qtc s PHE 189 CO 0.00 -0.73 1.68 -2.14 -0.10 0.00 0.00 175.22 173.93 2qtc s PRO 190 N 1.41 3.40 0.00 0.24 0.02 -1.25 -4.79 135.00 134.03 2qtc s PRO 190 Ca 0.01 1.26 0.03 0.00 0.02 0.00 0.00 61.00 62.32 2qtc s PRO 190 Cb -0.15 -4.15 -0.03 0.00 0.02 0.00 0.00 34.50 30.20 2qtc s PRO 190 CO -0.09 -1.78 0.14 0.25 -0.33 0.00 0.00 177.00 175.18 2qtc n THR 191 N 7.30 0.00 0.31 0.99 -2.24 -1.26 -4.67 114.28 114.72 2qtc n THR 191 Ca 0.21 -0.44 0.20 0.00 -2.27 0.00 0.00 64.05 61.75 2qtc n THR 191 Cb 0.47 1.00 0.99 0.00 -2.10 0.00 0.00 70.33 70.69 2qtc n THR 191 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2qtc h VAL 192 N 0.02 0.04 -2.52 2.28 3.04 -1.88 -3.32 116.25 113.91 2qtc h VAL 192 Ca 0.00 -0.23 -0.59 0.00 -1.01 0.00 0.00 66.70 64.88 2qtc h VAL 192 Cb 0.07 1.22 -0.11 0.00 -2.01 0.00 0.00 31.29 30.45 2qtc h VAL 192 CO 0.00 0.01 0.80 -0.55 -1.01 0.00 0.00 177.57 176.81 2qtc s SER 193 N -5.43 6.17 0.40 3.17 0.15 -1.26 -4.95 113.70 111.95 2qtc s SER 193 Ca -0.02 -0.72 -0.25 0.00 0.70 0.00 0.00 55.95 55.65 2qtc s SER 193 Cb 0.11 -2.49 -0.11 0.00 -1.71 0.00 0.00 66.02 61.83 2qtc s SER 193 CO 0.47 -1.64 1.07 0.23 1.20 0.00 0.00 173.24 174.57 2qtc n MET 194 N 8.53 1.49 0.00 5.44 2.81 -1.25 -2.42 117.12 131.72 2qtc n MET 194 Ca -0.00 0.53 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 2qtc n MET 194 Cb 0.47 -2.09 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 2qtc n MET 194 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qtc n GLY 195 N 1.10 3.09 0.06 3.03 0.00 -1.26 -4.85 105.19 106.37 2qtc n GLY 195 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 2qtc n GLY 195 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qtc h LEU 196 N 0.00 0.03 -0.07 0.99 3.38 -1.79 -3.31 115.31 114.54 2qtc h LEU 196 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qtc h LEU 196 Cb 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2qtc h LEU 196 CO 0.00 1.02 0.04 1.23 0.09 0.00 0.00 178.44 180.82 2qtc h GLY 197 N 2.89 0.09 0.97 0.83 0.00 -1.82 0.44 103.07 106.47 2qtc h GLY 197 Ca -0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2qtc h GLY 197 CO 0.13 0.03 0.12 -0.56 0.00 0.00 0.00 176.54 176.26 2qtc h PRO 198 N 0.08 0.26 -0.12 4.80 0.13 -1.90 0.55 132.00 135.80 2qtc h PRO 198 Ca 0.02 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.98 2qtc h PRO 198 Cb -0.00 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.06 2qtc h PRO 198 CO -0.01 0.21 -0.59 0.97 -0.23 0.00 0.00 178.00 178.36 2qtc h ILE 199 N 0.23 1.35 -0.60 -3.56 2.10 -1.64 -2.01 117.51 113.39 2qtc h ILE 199 Ca 0.07 -1.90 -0.00 0.00 1.08 0.00 0.00 64.86 64.10 2qtc h ILE 199 Cb 0.02 1.90 -0.03 0.00 -1.09 0.00 0.00 36.82 37.62 2qtc h ILE 199 CO -0.01 0.57 0.36 1.23 -1.08 0.00 0.00 178.15 179.22 2qtc h GLY 200 N 1.26 0.86 1.04 8.18 0.00 -0.73 -2.36 103.07 111.32 2qtc h GLY 200 Ca -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.92 2qtc h GLY 200 CO 0.10 0.35 0.30 0.00 0.00 0.00 0.00 176.54 177.29 2qtc h ALA 201 N 1.18 0.99 -0.33 3.60 0.00 -0.75 -0.36 119.26 123.59 2qtc h ALA 201 Ca 0.21 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2qtc h ALA 201 Cb -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2qtc h ALA 201 CO -0.04 0.61 0.17 0.82 0.00 0.00 0.00 179.25 180.82 2qtc h ILE 202 N 1.10 1.01 0.00 0.00 2.04 -1.03 -0.64 117.51 119.98 2qtc h ILE 202 Ca 0.25 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 2qtc h ILE 202 Cb 0.22 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 2qtc h ILE 202 CO -0.02 0.07 -0.19 1.88 0.00 0.00 0.00 178.15 179.88 2qtc h TYR 203 N 0.36 0.00 -0.27 1.37 -1.99 -1.25 -2.03 116.97 113.17 2qtc h TYR 203 Ca 0.13 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.74 2qtc h TYR 203 Cb 0.03 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.75 2qtc h TYR 203 CO -0.09 0.19 -0.29 0.37 -0.00 0.00 0.00 178.16 178.34 2qtc h GLN 204 N 0.00 0.67 -0.57 4.88 5.75 -0.70 0.97 115.11 126.11 2qtc h GLN 204 Ca -0.00 -0.36 -0.06 0.00 -0.15 0.00 0.00 58.65 58.07 2qtc h GLN 204 Cb 1.00 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.54 2qtc h GLN 204 CO 0.03 0.97 0.11 0.00 -2.65 0.00 0.00 178.83 177.29 2qtc h ALA 205 N 0.68 1.12 -0.41 3.38 0.00 -0.94 -0.31 119.26 122.79 2qtc h ALA 205 Ca 0.04 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2qtc h ALA 205 Cb 0.86 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2qtc h ALA 205 CO 0.07 0.58 -0.15 -0.22 0.00 0.00 0.00 179.25 179.53 2qtc h LYS 206 N 0.86 0.82 -0.59 0.00 3.64 -1.24 -2.68 116.57 117.38 2qtc h LYS 206 Ca 0.18 -0.34 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 2qtc h LYS 206 Cb 0.35 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 2qtc h LYS 206 CO 0.00 0.97 0.17 0.35 -2.27 0.00 0.00 179.45 178.68 2qtc h PHE 207 N 0.64 0.91 -0.80 1.91 3.57 -0.20 -1.18 116.94 121.78 2qtc h PHE 207 Ca 0.10 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2qtc h PHE 207 Cb 0.70 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 2qtc h PHE 207 CO 0.05 0.74 0.43 -0.07 -2.23 0.00 0.00 178.31 177.24 2qtc h LEU 208 N 0.86 1.00 -0.69 0.59 3.38 -0.86 -1.01 115.31 118.58 2qtc h LEU 208 Ca 0.19 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2qtc h LEU 208 Cb 0.26 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2qtc h LEU 208 CO -0.01 0.81 0.22 0.11 0.09 0.00 0.00 178.44 179.67 2qtc h LYS 209 N 1.11 1.06 -0.58 1.13 1.79 -1.14 -2.26 116.57 117.69 2qtc h LYS 209 Ca 0.28 -0.22 0.04 0.00 -2.18 0.00 0.00 60.65 58.56 2qtc h LYS 209 Cb 0.04 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.49 2qtc h LYS 209 CO -0.04 0.91 0.33 -0.92 -1.08 0.00 0.00 179.45 178.65 2qtc h TYR 210 N 1.00 0.61 -0.79 -1.35 3.20 -0.59 0.11 116.97 119.17 2qtc h TYR 210 Ca 0.22 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 2qtc h TYR 210 Cb 0.29 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 2qtc h TYR 210 CO 0.02 0.33 0.41 -0.07 -1.64 0.00 0.00 178.16 177.21 2qtc h LEU 211 N 0.64 1.01 -0.01 2.82 4.07 -0.95 0.14 115.31 123.04 2qtc h LEU 211 Ca 0.24 -0.10 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 2qtc h LEU 211 Cb 0.08 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.56 2qtc h LEU 211 CO -0.13 0.83 -0.01 -0.08 -1.08 0.00 0.00 178.44 177.97 2qtc h GLU 212 N 1.12 0.02 -0.26 1.13 4.81 -0.72 -1.55 114.58 119.12 2qtc h GLU 212 Ca 0.28 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 2qtc h GLU 212 Cb 0.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 2qtc h GLU 212 CO -0.04 0.52 0.11 0.45 -0.73 0.00 0.00 179.01 179.32 2qtc h HIS 213 N -0.49 0.35 0.00 0.92 3.86 -0.64 -1.55 115.15 117.61 2qtc h HIS 213 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2qtc h HIS 213 Cb 0.52 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.87 2qtc h HIS 213 CO 0.10 0.28 0.00 0.54 0.86 0.00 0.00 177.93 179.71 2qtc n ARG 214 N -4.44 0.13 -1.10 2.45 5.12 0.49 -4.52 116.66 114.79 2qtc n ARG 214 Ca 0.01 0.09 -0.04 0.00 -1.93 0.00 0.00 57.85 55.99 2qtc n ARG 214 Cb 0.12 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.90 2qtc n ARG 214 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qtc n GLY 215 N 0.78 0.66 0.14 -0.13 0.00 -0.58 -4.95 105.19 101.10 2qtc n GLY 215 Ca 0.08 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 2qtc n GLY 215 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qtc h LEU 216 N 0.00 0.54 -7.10 0.99 4.07 -1.50 -3.48 115.31 108.81 2qtc h LEU 216 Ca -0.07 -0.84 -0.07 0.00 0.08 0.00 0.00 57.88 56.98 2qtc h LEU 216 Cb 0.25 -0.17 -0.22 0.00 1.08 0.00 0.00 40.66 41.60 2qtc h LEU 216 CO 0.11 1.71 0.01 -0.75 -1.08 0.00 0.00 178.44 178.44 2qtc s LYS 217 N -2.58 0.74 -0.75 1.13 2.20 -1.07 -5.04 119.74 114.37 2qtc s LYS 217 Ca -0.15 0.81 -0.24 0.00 -0.36 0.00 0.00 55.97 56.03 2qtc s LYS 217 Cb 0.06 0.36 0.06 0.00 -1.51 0.00 0.00 37.83 36.80 2qtc s LYS 217 CO 0.84 -0.10 1.15 0.34 -0.36 0.00 0.00 175.35 177.22 2qtc s ASP 218 N 0.22 6.25 -0.03 1.43 2.15 -1.26 -3.17 116.67 122.26 2qtc s ASP 218 Ca -0.01 -0.95 0.21 0.00 0.43 0.00 0.00 52.55 52.23 2qtc s ASP 218 Cb -0.04 -2.48 0.65 0.00 -0.30 0.00 0.00 42.92 40.74 2qtc s ASP 218 CO 0.01 -1.56 1.55 0.35 -0.17 0.00 0.00 175.17 175.35 2qtc n THR 219 N 6.15 1.22 0.23 1.71 -2.24 -1.26 -4.64 114.28 115.46 2qtc n THR 219 Ca 0.05 -1.06 0.18 0.00 -2.27 0.00 0.00 64.05 60.95 2qtc n THR 219 Cb 0.48 0.40 0.86 0.00 -2.10 0.00 0.00 70.33 69.97 2qtc n THR 219 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2qtc h SER 220 N 4.10 0.00 -0.00 3.42 4.64 -1.91 -1.01 113.55 122.79 2qtc h SER 220 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qtc h SER 220 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2qtc h SER 220 CO 0.06 0.00 -0.02 0.29 -0.87 0.00 0.00 176.83 176.29 2qtc n LYS 221 N -3.54 1.75 -3.37 4.77 5.02 -1.26 -4.88 118.16 116.64 2qtc n LYS 221 Ca 0.01 -1.14 -0.38 0.00 -2.02 0.00 0.00 58.31 54.79 2qtc n LYS 221 Cb 0.35 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.83 2qtc n LYS 221 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2qtc s GLN 222 N -2.04 4.21 -0.04 1.97 -0.21 -0.38 -4.83 119.66 118.33 2qtc s GLN 222 Ca 0.35 0.45 0.05 0.00 0.02 0.00 0.00 55.36 56.23 2qtc s GLN 222 Cb 0.21 -3.36 -0.02 0.00 1.00 0.00 0.00 33.01 30.84 2qtc s GLN 222 CO 0.34 0.36 -0.17 0.99 -2.12 0.00 0.00 175.29 174.69 2qtc s THR 223 N -0.03 2.82 -0.24 -0.19 2.01 -1.26 -4.86 115.64 113.90 2qtc s THR 223 Ca 0.25 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 2qtc s THR 223 Cb -0.16 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 2qtc s THR 223 CO 0.12 0.59 0.10 -0.69 -0.69 0.00 0.00 174.62 174.04 2qtc s VAL 224 N -0.69 4.66 -0.19 3.82 1.01 1.00 -1.02 120.40 128.99 2qtc s VAL 224 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 2qtc s VAL 224 Cb -0.11 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 2qtc s VAL 224 CO 0.00 0.35 -0.02 -0.31 0.00 0.00 0.00 175.10 175.12 2qtc s TYR 225 N 1.33 3.01 -0.28 5.22 2.02 0.02 -0.53 117.35 128.14 2qtc s TYR 225 Ca 0.06 -0.53 -0.01 0.00 -0.37 0.00 0.00 57.07 56.22 2qtc s TYR 225 Cb -0.15 -2.06 0.05 0.00 -0.40 0.00 0.00 41.96 39.40 2qtc s TYR 225 CO 0.05 -0.26 -0.03 0.00 -1.57 0.00 0.00 175.55 173.73 2qtc s ALA 226 N 0.96 2.76 -0.40 3.71 0.00 0.09 -0.32 121.76 128.57 2qtc s ALA 226 Ca 0.01 -1.70 -0.19 0.00 0.00 0.00 0.00 51.96 50.08 2qtc s ALA 226 Cb -0.14 -1.84 0.01 0.00 0.00 0.00 0.00 23.12 21.14 2qtc s ALA 226 CO 0.01 -1.18 0.53 -0.06 0.00 0.00 0.00 175.76 175.07 2qtc s PHE 227 N 1.25 3.14 0.27 0.00 0.40 -0.85 0.25 117.98 122.44 2qtc s PHE 227 Ca -0.05 -0.04 0.10 0.00 -0.60 0.00 0.00 56.93 56.34 2qtc s PHE 227 Cb -0.19 -3.04 -0.05 0.00 0.51 0.00 0.00 43.02 40.25 2qtc s PHE 227 CO -0.02 -0.68 -0.08 -0.51 0.70 0.00 0.00 175.22 174.63 2qtc s LEU 228 N 2.45 2.95 0.18 -0.37 1.43 0.12 -3.54 118.68 121.91 2qtc s LEU 228 Ca 0.18 -0.81 0.04 0.00 -1.03 0.00 0.00 54.13 52.51 2qtc s LEU 228 Cb -0.15 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2qtc s LEU 228 CO 0.15 0.01 0.27 -0.83 0.23 0.00 0.00 176.35 176.18 2qtc s GLY 229 N -3.61 1.58 0.23 -3.19 0.00 -1.26 -0.98 107.32 100.09 2qtc s GLY 229 Ca 0.31 -1.13 0.03 0.00 0.00 0.00 0.00 44.72 43.93 2qtc s GLY 229 CO 0.18 -1.14 1.56 1.29 0.00 0.00 0.00 173.10 174.99 2qtc h ASP 230 N 1.94 0.33 -0.60 1.64 3.04 -1.81 -2.91 116.42 118.04 2qtc h ASP 230 Ca -0.49 -0.18 -0.05 0.00 -3.24 0.00 0.00 57.03 53.07 2qtc h ASP 230 Cb 1.21 -0.09 -0.03 0.00 -1.04 0.00 0.00 39.33 39.38 2qtc h ASP 230 CO 0.65 0.83 0.17 1.23 -2.04 0.00 0.00 179.24 180.09 2qtc h GLY 231 N 1.38 1.02 1.83 7.15 0.00 -1.88 -2.46 103.07 110.12 2qtc h GLY 231 Ca -0.00 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 46.72 2qtc h GLY 231 CO 0.09 0.58 0.07 -2.09 0.00 0.00 0.00 176.54 175.20 2qtc h GLU 232 N 0.87 0.00 0.00 4.80 4.81 -1.91 -1.91 114.58 121.24 2qtc h GLU 232 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2qtc h GLU 232 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 2qtc h GLU 232 CO -0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 179.01 176.95 2qtc n MET 233 N -3.55 0.04 0.23 1.92 2.81 -0.93 -1.48 117.12 116.17 2qtc n MET 233 Ca -0.02 0.37 0.14 0.00 -1.81 0.00 0.00 57.70 56.39 2qtc n MET 233 Cb 0.16 -1.58 0.44 0.00 -0.71 0.00 0.00 33.22 31.52 2qtc n MET 233 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2qtc h ASP 234 N 0.00 0.00 -2.96 7.83 5.19 -1.51 -3.40 116.42 121.57 2qtc h ASP 234 Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 2qtc h ASP 234 Cb 0.18 0.00 0.05 0.00 0.18 0.00 0.00 39.33 39.74 2qtc h ASP 234 CO 0.00 0.00 0.87 -1.61 -3.12 0.00 0.00 179.24 175.38 2qtc s GLU 235 N -3.42 4.21 0.54 3.56 0.41 -0.55 -4.86 118.70 118.60 2qtc s GLU 235 Ca 0.04 2.39 0.23 0.00 -0.41 0.00 0.00 54.97 57.22 2qtc s GLU 235 Cb 0.07 -3.13 1.42 0.00 -1.78 0.00 0.00 34.13 30.71 2qtc s GLU 235 CO 0.59 -0.58 2.07 -1.35 -0.49 0.00 0.00 175.26 175.50 2qtc h PRO 236 N 6.30 0.00 0.00 0.39 0.11 -1.89 0.28 132.00 137.19 2qtc h PRO 236 Ca -0.44 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 2qtc h PRO 236 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2qtc h PRO 236 CO 0.88 0.00 -0.12 0.93 -0.21 0.00 0.00 178.00 179.48 2qtc h GLU 237 N 0.00 0.00 -0.46 1.05 3.07 -1.89 -0.99 114.58 115.37 2qtc h GLU 237 Ca 0.13 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.95 2qtc h GLU 237 Cb 0.56 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.45 2qtc h GLU 237 CO -0.00 0.12 0.11 0.77 -1.40 0.00 0.00 179.01 178.61 2qtc h SER 238 N 0.00 0.69 0.00 1.42 0.02 -1.07 -3.36 113.55 111.25 2qtc h SER 238 Ca -0.00 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2qtc h SER 238 Cb 0.65 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.01 2qtc h SER 238 CO 0.02 0.75 -0.70 0.29 -1.14 0.00 0.00 176.83 176.05 2qtc n LYS 239 N -4.50 3.06 0.17 3.45 5.02 -1.22 -4.70 118.16 119.44 2qtc n LYS 239 Ca 0.01 -0.02 0.12 0.00 -2.02 0.00 0.00 58.31 56.39 2qtc n LYS 239 Cb 0.22 -0.96 0.63 0.00 -0.02 0.00 0.00 35.03 34.89 2qtc n LYS 239 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2qtc h GLY 240 N 1.59 0.00 -0.03 0.72 0.00 -1.31 -2.66 103.07 101.38 2qtc h GLY 240 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qtc h GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 2qtc n ALA 241 N -1.80 2.28 0.12 3.60 0.00 -1.26 -4.78 120.51 118.66 2qtc n ALA 241 Ca -0.01 -0.73 0.11 0.00 0.00 0.00 0.00 53.44 52.81 2qtc n ALA 241 Cb 0.06 -0.01 0.61 0.00 0.00 0.00 0.00 19.45 20.11 2qtc n ALA 241 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 2qtc h ILE 242 N 0.06 0.93 0.00 0.00 3.07 -1.76 -1.31 117.51 118.51 2qtc h ILE 242 Ca 0.00 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 66.37 2qtc h ILE 242 Cb 0.24 0.81 0.00 0.00 -0.27 0.00 0.00 36.82 37.60 2qtc h ILE 242 CO 0.00 0.02 0.00 0.71 -1.05 0.00 0.00 178.15 177.83 2qtc h THR 243 N 0.11 0.00 -0.31 0.16 1.35 -1.82 -1.74 112.91 110.66 2qtc h THR 243 Ca 0.11 -0.12 -0.08 0.00 -0.55 0.00 0.00 66.41 65.77 2qtc h THR 243 Cb 0.31 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 2qtc h THR 243 CO -0.01 0.00 -0.13 0.40 -0.25 0.00 0.00 175.52 175.53 2qtc h ILE 244 N 0.00 1.24 -0.06 6.82 1.08 -1.59 -1.01 117.51 123.98 2qtc h ILE 244 Ca 0.00 -1.05 -0.05 0.00 -0.39 0.00 0.00 64.86 63.37 2qtc h ILE 244 Cb 0.14 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 2qtc h ILE 244 CO 0.00 0.35 -0.18 0.00 -0.69 0.00 0.00 178.15 177.63 2qtc h ALA 245 N 1.38 1.60 0.14 1.87 0.00 -1.45 -0.12 119.26 122.68 2qtc h ALA 245 Ca 0.09 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 2qtc h ALA 245 Cb 0.51 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.27 2qtc h ALA 245 CO 0.03 0.30 -0.88 1.15 0.00 0.00 0.00 179.25 179.85 2qtc h THR 246 N 0.09 1.47 -0.63 0.00 2.02 -1.48 0.28 112.91 114.65 2qtc h THR 246 Ca 0.02 -2.53 0.05 0.00 0.77 0.00 0.00 66.41 64.72 2qtc h THR 246 Cb 0.37 3.16 -0.05 0.00 -1.74 0.00 0.00 68.15 69.89 2qtc h THR 246 CO 0.03 0.72 0.35 0.03 0.37 0.00 0.00 175.52 177.02 2qtc h ARG 247 N -0.36 0.65 -0.23 6.66 3.08 -0.94 -1.82 114.38 121.43 2qtc h ARG 247 Ca -0.16 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2qtc h ARG 247 Cb 1.66 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.56 2qtc h ARG 247 CO 0.14 0.43 0.00 0.39 -1.07 0.00 0.00 179.97 179.86 2qtc n GLU 248 N -4.79 1.79 -3.82 0.04 -0.58 -0.08 -4.95 120.64 108.25 2qtc n GLU 248 Ca 0.07 -1.20 -0.30 0.00 -0.42 0.00 0.00 57.16 55.31 2qtc n GLU 248 Cb 0.15 -1.37 0.02 0.00 -0.57 0.00 0.00 31.44 29.66 2qtc n GLU 248 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2qtc n LYS 249 N 0.43 -2.06 -1.89 3.49 5.02 -0.68 -4.81 118.16 117.66 2qtc n LYS 249 Ca 0.15 0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 56.43 2qtc n LYS 249 Cb 0.34 -4.19 0.00 0.00 -0.02 0.00 0.00 35.03 31.16 2qtc n LYS 249 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2qtc n LEU 250 N -4.34 6.56 -0.22 -0.35 4.77 0.01 -4.57 117.00 118.86 2qtc n LEU 250 Ca -0.19 -4.13 0.00 0.00 -0.03 0.00 0.00 56.01 51.67 2qtc n LEU 250 Cb 0.63 -1.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 2qtc n LEU 250 CO 0.71 0.97 0.35 -0.90 -1.33 0.00 0.00 177.39 177.19 2qtc n ASP 251 N 6.37 0.39 -0.74 -1.43 5.68 -1.24 -2.22 116.55 123.36 2qtc n ASP 251 Ca 0.51 -1.79 0.07 0.00 -0.50 0.00 0.00 54.79 53.07 2qtc n ASP 251 Cb 0.40 -0.19 0.19 0.00 -1.14 0.00 0.00 41.12 40.37 2qtc n ASP 251 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2qtc n ASN 252 N -0.26 3.24 -4.26 -1.12 6.94 -1.26 -4.86 115.26 113.67 2qtc n ASN 252 Ca 0.00 -2.26 -0.32 0.00 -0.02 0.00 0.00 54.58 51.97 2qtc n ASN 252 Cb 0.10 -0.32 -0.16 0.00 -2.36 0.00 0.00 39.78 37.03 2qtc n ASN 252 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2qtc s LEU 253 N -1.47 2.31 -0.13 -4.53 2.96 -0.94 -0.00 118.68 116.87 2qtc s LEU 253 Ca 0.29 -0.50 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 2qtc s LEU 253 Cb 0.18 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.41 2qtc s LEU 253 CO 0.15 0.14 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.51 2qtc s VAL 254 N 0.49 1.34 -0.15 1.68 1.01 0.31 -2.46 120.40 122.63 2qtc s VAL 254 Ca -0.13 -0.49 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 2qtc s VAL 254 Cb -0.17 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2qtc s VAL 254 CO 0.05 0.42 0.40 -0.36 0.00 0.00 0.00 175.10 175.61 2qtc s PHE 255 N 1.57 3.47 -0.35 5.22 0.40 -0.25 -0.73 117.98 127.31 2qtc s PHE 255 Ca 0.05 0.73 0.02 0.00 -0.60 0.00 0.00 56.93 57.13 2qtc s PHE 255 Cb -0.13 -2.47 0.10 0.00 0.51 0.00 0.00 43.02 41.03 2qtc s PHE 255 CO -0.10 0.16 0.07 0.08 0.70 0.00 0.00 175.22 176.13 2qtc s VAL 256 N 0.70 2.52 -0.29 -0.44 1.01 0.14 -0.44 120.40 123.61 2qtc s VAL 256 Ca 0.21 -2.17 -0.13 0.00 0.00 0.00 0.00 61.98 59.89 2qtc s VAL 256 Cb -0.14 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2qtc s VAL 256 CO 0.07 -0.54 0.27 -0.63 0.00 0.00 0.00 175.10 174.27 2qtc s ILE 257 N 0.99 5.25 -0.81 2.22 1.01 -0.39 -0.70 121.20 128.77 2qtc s ILE 257 Ca 0.08 0.25 -0.26 0.00 0.00 0.00 0.00 60.65 60.72 2qtc s ILE 257 Cb -0.20 -3.63 0.03 0.00 0.01 0.00 0.00 42.46 38.68 2qtc s ILE 257 CO -0.07 0.16 1.33 0.21 0.00 0.00 0.00 174.94 176.58 2qtc s ASN 258 N 1.72 6.23 -1.18 3.58 2.47 -0.15 -1.61 114.94 125.99 2qtc s ASN 258 Ca 0.10 -0.68 -0.15 0.00 0.42 0.00 0.00 52.86 52.55 2qtc s ASN 258 Cb -0.16 -2.56 0.14 0.00 -1.45 0.00 0.00 41.25 37.22 2qtc s ASN 258 CO 0.11 -1.77 1.45 0.00 -3.72 0.00 0.00 177.10 173.17 2qtc n ASN 260 N 6.35 3.54 0.00 0.00 0.23 -1.26 -2.09 115.26 122.03 2qtc n ASN 260 Ca 0.37 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.42 2qtc n ASN 260 Cb 0.44 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2qtc n ASN 260 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2qtc n LEU 261 N 1.43 0.73 -4.28 -4.53 4.77 -1.26 -4.42 117.00 109.44 2qtc n LEU 261 Ca 0.22 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.94 2qtc n LEU 261 Cb 0.56 -1.15 -0.14 0.00 -2.33 0.00 0.00 43.42 40.36 2qtc n LEU 261 CO 0.15 -0.39 -0.53 -1.10 -1.33 0.00 0.00 177.39 174.19 2qtc s GLN 262 N -0.77 1.42 0.00 3.23 -0.21 -1.26 -1.68 119.66 120.39 2qtc s GLN 262 Ca 0.00 -1.01 0.00 0.00 0.02 0.00 0.00 55.36 54.37 2qtc s GLN 262 Cb 0.00 -1.58 0.00 0.00 1.00 0.00 0.00 33.01 32.43 2qtc s GLN 262 CO 0.00 0.40 0.00 2.89 -2.12 0.00 0.00 175.29 176.46 2qtc n ARG 263 N 1.70 3.93 -0.03 2.91 1.85 0.33 -4.42 116.66 122.92 2qtc n ARG 263 Ca -0.17 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.53 2qtc n ARG 263 Cb 0.53 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.84 2qtc n ARG 263 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 2qtc h LEU 264 N 0.00 0.21 -2.06 2.89 7.12 -1.99 -3.37 115.31 118.11 2qtc h LEU 264 Ca 0.00 -0.66 0.00 0.00 0.13 0.00 0.00 57.88 57.35 2qtc h LEU 264 Cb 0.00 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.07 2qtc h LEU 264 CO 0.00 0.84 0.00 0.47 -0.13 0.00 0.00 178.44 179.62 2qtc n ASP 265 N -4.59 3.15 0.00 1.25 8.00 -1.26 -5.05 116.55 118.05 2qtc n ASP 265 Ca -0.09 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.43 2qtc n ASP 265 Cb 0.42 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 2qtc n ASP 265 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qtc n GLY 266 N 1.41 -1.35 3.79 0.44 0.00 -1.26 -5.14 105.19 103.09 2qtc n GLY 266 Ca 0.17 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 2qtc n GLY 266 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qtc s PRO 267 N -1.05 3.60 0.11 1.61 0.04 -1.26 -0.52 135.00 137.53 2qtc s PRO 267 Ca 0.00 1.44 -0.28 0.00 0.04 0.00 0.00 61.00 62.20 2qtc s PRO 267 Cb 0.00 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.38 2qtc s PRO 267 CO 0.00 -0.61 1.63 0.28 0.04 0.00 0.00 177.00 178.34 2qtc h VAL 268 N 1.35 0.38 -2.06 -0.36 2.07 -1.62 -3.39 116.25 112.63 2qtc h VAL 268 Ca -0.49 0.00 -0.43 0.00 0.82 0.00 0.00 66.70 66.60 2qtc h VAL 268 Cb 1.24 0.38 -0.32 0.00 -1.52 0.00 0.00 31.29 31.06 2qtc h VAL 268 CO 0.58 0.00 -0.75 0.42 0.02 0.00 0.00 177.57 177.84 2qtc s THR 269 N -6.04 -0.19 0.37 2.57 -4.23 -1.26 -5.02 115.64 101.83 2qtc s THR 269 Ca -0.16 -1.37 0.29 0.00 -1.18 0.00 0.00 61.69 59.26 2qtc s THR 269 Cb 0.07 -0.78 0.31 0.00 1.34 0.00 0.00 72.50 73.43 2qtc s THR 269 CO 0.64 -0.72 2.05 1.23 -0.54 0.00 0.00 174.62 177.29 2qtc h GLY 270 N 6.68 0.00 -0.82 3.99 0.00 -1.91 -2.53 103.07 108.48 2qtc h GLY 270 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2qtc h GLY 270 CO 0.22 0.00 -0.04 0.70 0.00 0.00 0.00 176.54 177.42 2qtc n ASN 271 N -3.51 1.88 0.00 0.19 3.02 -1.26 -0.65 115.26 114.94 2qtc n ASN 271 Ca -0.01 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 2qtc n ASN 271 Cb 0.26 0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 2qtc n ASN 271 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qtc n GLY 272 N 1.25 5.82 2.51 7.41 0.00 -0.95 -4.88 105.19 116.34 2qtc n GLY 272 Ca 0.17 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 2qtc n GLY 272 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qtc s LYS 273 N 1.65 0.37 0.47 1.61 1.02 -1.26 -0.73 119.74 122.86 2qtc s LYS 273 Ca 0.00 -0.91 0.16 0.00 0.02 0.00 0.00 55.97 55.24 2qtc s LYS 273 Cb 0.00 -1.24 1.13 0.00 -0.52 0.00 0.00 37.83 37.20 2qtc s LYS 273 CO 0.00 -1.11 2.02 0.97 -0.92 0.00 0.00 175.35 176.31 2qtc h ILE 274 N 5.76 0.90 -0.44 2.17 6.09 -1.98 -0.78 117.51 129.23 2qtc h ILE 274 Ca -0.08 -0.09 -0.08 0.00 -1.37 0.00 0.00 64.86 63.25 2qtc h ILE 274 Cb 0.99 0.61 -0.02 0.00 0.47 0.00 0.00 36.82 38.87 2qtc h ILE 274 CO 0.36 0.05 -0.02 0.40 -3.07 0.00 0.00 178.15 175.87 2qtc h ILE 275 N 0.27 1.26 -0.35 2.19 2.04 -1.98 -1.06 117.51 119.87 2qtc h ILE 275 Ca 0.21 -1.07 -0.11 0.00 1.00 0.00 0.00 64.86 64.89 2qtc h ILE 275 Cb 0.50 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2qtc h ILE 275 CO -0.04 0.37 -0.24 0.78 0.00 0.00 0.00 178.15 179.02 2qtc h ASN 276 N 0.63 0.71 -0.68 1.72 4.21 -1.62 -0.31 115.58 120.26 2qtc h ASN 276 Ca 0.12 -0.26 0.03 0.00 1.21 0.00 0.00 56.30 57.41 2qtc h ASN 276 Cb 0.52 -0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 37.48 2qtc h ASN 276 CO 0.03 0.93 0.42 -0.08 -1.29 0.00 0.00 177.43 177.43 2qtc h GLU 277 N 0.61 0.79 -0.30 0.81 4.81 -1.01 0.12 114.58 120.41 2qtc h GLU 277 Ca 0.08 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2qtc h GLU 277 Cb 0.73 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2qtc h GLU 277 CO 0.06 0.52 0.04 -0.07 -0.73 0.00 0.00 179.01 178.82 2qtc h LEU 278 N 0.81 0.49 -0.41 1.64 4.07 -0.89 -2.37 115.31 118.65 2qtc h LEU 278 Ca 0.27 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2qtc h LEU 278 Cb 0.04 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.63 2qtc h LEU 278 CO -0.11 0.64 0.20 -0.08 -1.08 0.00 0.00 178.44 178.01 2qtc h GLU 279 N 0.32 0.59 -0.23 1.13 4.81 -0.74 -1.16 114.58 119.30 2qtc h GLU 279 Ca 0.09 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2qtc h GLU 279 Cb 0.36 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 2qtc h GLU 279 CO 0.01 0.50 -0.01 0.78 -0.73 0.00 0.00 179.01 179.56 2qtc h GLY 280 N 0.52 0.20 1.80 1.92 0.00 -0.63 0.16 103.07 107.05 2qtc h GLY 280 Ca 0.14 0.04 -0.21 0.00 0.00 0.00 0.00 47.33 47.30 2qtc h GLY 280 CO -0.02 -0.06 -0.95 1.19 0.00 0.00 0.00 176.54 176.71 2qtc h ILE 281 N 0.05 1.53 -0.22 2.60 2.10 -1.37 -1.77 117.51 120.44 2qtc h ILE 281 Ca 0.11 -2.81 -0.20 0.00 1.08 0.00 0.00 64.86 63.04 2qtc h ILE 281 Cb 0.15 2.60 0.01 0.00 -1.09 0.00 0.00 36.82 38.48 2qtc h ILE 281 CO -0.20 0.82 -0.63 -0.26 -1.08 0.00 0.00 178.15 176.80 2qtc h PHE 282 N 0.08 1.06 -0.73 2.19 -1.00 -1.08 -0.48 116.94 116.99 2qtc h PHE 282 Ca -0.05 -0.42 -0.01 0.00 2.81 0.00 0.00 57.97 60.30 2qtc h PHE 282 Cb 1.61 -0.18 -0.03 0.00 3.61 0.00 0.00 35.95 40.96 2qtc h PHE 282 CO 0.03 1.25 0.41 1.49 -1.61 0.00 0.00 178.31 179.88 2qtc h GLU 283 N 0.57 1.01 0.00 1.51 4.57 -0.74 -1.16 114.58 120.33 2qtc h GLU 283 Ca -0.02 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.00 2qtc h GLU 283 Cb 1.25 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.63 2qtc h GLU 283 CO 0.14 0.74 -0.25 0.78 -1.18 0.00 0.00 179.01 179.23 2qtc h GLY 284 N 1.00 0.00 0.22 1.92 0.00 -1.09 -2.06 103.07 103.07 2qtc h GLY 284 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2qtc h GLY 284 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.50 2qtc n ALA 285 N -2.47 2.62 -0.28 3.60 0.00 -0.21 -4.90 120.51 118.88 2qtc n ALA 285 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 2qtc n ALA 285 Cb 0.31 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2qtc n ALA 285 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qtc n GLY 286 N 1.03 0.78 3.88 0.00 0.00 -0.77 -4.59 105.19 105.51 2qtc n GLY 286 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2qtc n GLY 286 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qtc s TRP 287 N -2.21 3.57 -0.41 1.61 0.52 -0.52 -4.75 118.94 116.74 2qtc s TRP 287 Ca 0.00 1.13 -0.22 0.00 0.02 0.00 0.00 56.10 57.03 2qtc s TRP 287 Cb 0.00 -2.56 0.02 0.00 -1.15 0.00 0.00 33.47 29.77 2qtc s TRP 287 CO 0.00 -0.45 0.72 1.21 0.02 0.00 0.00 176.95 178.45 2qtc s ASN 288 N -3.89 6.42 -0.21 2.95 2.47 0.21 -4.41 114.94 118.49 2qtc s ASN 288 Ca 0.53 -0.03 -0.12 0.00 0.42 0.00 0.00 52.86 53.66 2qtc s ASN 288 Cb -0.11 -2.36 -0.05 0.00 -1.45 0.00 0.00 41.25 37.29 2qtc s ASN 288 CO 0.45 -0.78 0.21 -0.69 -3.72 0.00 0.00 177.10 172.57 2qtc s VAL 289 N 3.01 5.35 -0.24 -5.21 1.01 -1.26 -1.16 120.40 121.90 2qtc s VAL 289 Ca 0.27 0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.60 2qtc s VAL 289 Cb -0.13 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 32.75 2qtc s VAL 289 CO 0.19 0.37 -0.11 -0.63 0.00 0.00 0.00 175.10 174.92 2qtc s ILE 290 N 0.73 2.03 -0.24 2.22 1.01 -0.29 -4.98 121.20 121.69 2qtc s ILE 290 Ca 0.11 -1.44 -0.19 0.00 0.00 0.00 0.00 60.65 59.13 2qtc s ILE 290 Cb -0.13 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 2qtc s ILE 290 CO 0.03 0.05 0.54 -0.54 0.00 0.00 0.00 174.94 175.02 2qtc s LYS 291 N 1.19 4.12 -0.81 2.79 1.02 -1.26 -0.80 119.74 125.98 2qtc s LYS 291 Ca -0.06 0.40 -0.04 0.00 0.02 0.00 0.00 55.97 56.29 2qtc s LYS 291 Cb -0.19 -3.62 0.21 0.00 -0.52 0.00 0.00 37.83 33.71 2qtc s LYS 291 CO -0.06 -0.28 0.69 0.08 -0.92 0.00 0.00 175.35 174.85 2qtc s VAL 292 N 2.08 4.42 -0.15 3.17 1.01 0.54 -1.48 120.40 129.99 2qtc s VAL 292 Ca 0.23 -3.37 -0.15 0.00 0.00 0.00 0.00 61.98 58.69 2qtc s VAL 292 Cb -0.16 -3.77 -0.12 0.00 0.00 0.00 0.00 36.38 32.33 2qtc s VAL 292 CO 0.09 -1.02 0.19 0.24 0.00 0.00 0.00 175.10 174.60 2qtc h MET 293 N 6.61 0.00 -6.18 2.72 2.86 -1.84 -1.05 114.93 118.04 2qtc h MET 293 Ca 0.10 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 57.17 2qtc h MET 293 Cb 0.89 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 32.33 2qtc h MET 293 CO 0.81 0.52 -0.83 -1.58 1.06 0.00 0.00 176.91 176.89 2qtc s TRP 294 N -2.13 1.82 1.12 -0.22 0.52 -1.26 0.08 118.94 118.87 2qtc s TRP 294 Ca -0.17 -0.41 -0.18 0.00 0.02 0.00 0.00 56.10 55.36 2qtc s TRP 294 Cb 0.02 -1.01 0.26 0.00 -1.15 0.00 0.00 33.47 31.58 2qtc s TRP 294 CO 0.39 0.19 1.17 0.20 0.02 0.00 0.00 176.95 178.92 2qtc s GLY 295 N -1.78 1.64 0.60 0.98 0.00 -0.42 -4.00 107.32 104.33 2qtc s GLY 295 Ca 0.07 -1.00 0.37 0.00 0.00 0.00 0.00 44.72 44.16 2qtc s GLY 295 CO 0.04 -0.16 2.20 1.76 0.00 0.00 0.00 173.10 176.94 2qtc h SER 296 N -2.28 0.00 0.65 1.64 0.02 -1.94 -2.82 113.55 108.82 2qtc h SER 296 Ca -0.45 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2qtc h SER 296 Cb 1.28 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 2qtc h SER 296 CO 0.37 0.03 -0.01 0.03 -1.14 0.00 0.00 176.83 176.11 2qtc h ARG 297 N 0.00 0.00 0.00 3.45 3.08 -1.92 -2.58 114.38 116.41 2qtc h ARG 297 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qtc h ARG 297 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2qtc h ARG 297 CO 0.00 0.01 -0.27 -1.49 -1.07 0.00 0.00 179.97 177.15 2qtc h TRP 298 N 0.00 0.00 -0.63 3.04 4.06 -1.86 -3.38 115.95 117.18 2qtc h TRP 298 Ca -0.00 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.00 2qtc h TRP 298 Cb 0.33 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.44 2qtc h TRP 298 CO 0.00 0.00 0.35 -0.44 -3.56 0.00 0.00 178.44 174.79 2qtc h ASP 299 N 0.00 0.54 -0.36 -3.49 3.32 -1.63 0.20 116.42 115.00 2qtc h ASP 299 Ca 0.00 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 2qtc h ASP 299 Cb 0.90 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 2qtc h ASP 299 CO 0.00 0.36 -0.33 -0.08 -1.72 0.00 0.00 179.24 177.47 2qtc h GLU 300 N 0.67 0.90 0.74 3.56 4.57 -1.78 -2.77 114.58 120.46 2qtc h GLU 300 Ca 0.27 -0.44 -0.04 0.00 -1.18 0.00 0.00 59.36 57.98 2qtc h GLU 300 Cb 0.14 -0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2qtc h GLU 300 CO -0.16 1.09 -0.35 1.25 -1.18 0.00 0.00 179.01 179.66 2qtc h LEU 301 N 0.75 -0.84 -1.80 1.64 7.12 -1.68 0.30 115.31 120.82 2qtc h LEU 301 Ca 0.08 0.02 0.13 0.00 0.13 0.00 0.00 57.88 58.24 2qtc h LEU 301 Cb 0.90 0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 41.21 2qtc h LEU 301 CO 0.08 -0.57 0.41 -0.07 -0.13 0.00 0.00 178.44 178.16 2qtc h LEU 302 N -1.04 0.19 0.10 2.25 3.38 -0.65 -0.07 115.31 119.48 2qtc h LEU 302 Ca -0.10 0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.60 2qtc h LEU 302 Cb 0.77 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2qtc h LEU 302 CO 0.17 0.11 -1.33 -0.09 0.09 0.00 0.00 178.44 177.39 2qtc h ARG 303 N 0.21 0.21 0.00 1.13 2.43 -1.29 -3.22 114.38 113.85 2qtc h ARG 303 Ca 0.28 -0.35 -0.06 0.00 -0.81 0.00 0.00 59.98 59.03 2qtc h ARG 303 Cb 0.82 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 2qtc h ARG 303 CO -0.05 1.11 -0.31 -0.22 -1.51 0.00 0.00 179.97 178.99 2qtc h LYS 304 N 0.06 0.00 -6.33 0.20 3.64 0.13 -3.41 116.57 110.86 2qtc h LYS 304 Ca -0.16 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.67 2qtc h LYS 304 Cb 1.96 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.76 2qtc h LYS 304 CO 0.17 0.31 0.75 0.34 -2.27 0.00 0.00 179.45 178.74 2qtc s ASP 305 N -6.95 6.98 -0.01 4.20 -1.08 -0.28 -4.86 116.67 114.68 2qtc s ASP 305 Ca -0.03 1.91 0.08 0.00 -0.52 0.00 0.00 52.55 53.99 2qtc s ASP 305 Cb 0.15 -2.56 -0.11 0.00 -1.46 0.00 0.00 42.92 38.93 2qtc s ASP 305 CO 0.71 -0.63 0.25 0.35 0.52 0.00 0.00 175.17 176.38 2qtc n THR 306 N 4.64 0.00 0.31 1.71 -2.24 -1.26 -4.45 114.28 112.98 2qtc n THR 306 Ca 0.12 -0.24 0.13 0.00 -2.27 0.00 0.00 64.05 61.78 2qtc n THR 306 Cb 0.45 0.59 0.29 0.00 -2.10 0.00 0.00 70.33 69.56 2qtc n THR 306 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2qtc h SER 307 N 0.00 0.00 -0.34 3.42 4.64 -1.98 -3.46 113.55 115.83 2qtc h SER 307 Ca 0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 2qtc h SER 307 Cb 0.31 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.34 2qtc h SER 307 CO 0.00 0.00 -0.13 0.61 -0.87 0.00 0.00 176.83 176.44 2qtc n GLY 308 N 0.97 0.91 0.13 -0.77 0.00 -1.26 -4.88 105.19 100.29 2qtc n GLY 308 Ca 0.04 -0.57 -0.00 0.00 0.00 0.00 0.00 46.02 45.49 2qtc n GLY 308 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qtc h LYS 309 N 0.09 0.00 0.27 1.61 1.63 -1.93 -2.22 116.57 116.02 2qtc h LYS 309 Ca -0.14 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.64 2qtc h LYS 309 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 2qtc h LYS 309 CO 0.21 0.65 -0.13 1.25 -3.45 0.00 0.00 179.45 177.98 2qtc h LEU 310 N 0.00 -0.31 -0.68 5.20 5.85 -1.94 0.32 115.31 123.76 2qtc h LEU 310 Ca -0.01 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.64 2qtc h LEU 310 Cb 1.31 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 42.30 2qtc h LEU 310 CO 0.08 0.17 -0.12 0.40 -0.34 0.00 0.00 178.44 178.63 2qtc h ILE 311 N -0.91 0.35 -0.01 4.05 1.08 -1.96 0.45 117.51 120.56 2qtc h ILE 311 Ca -0.04 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.42 2qtc h ILE 311 Cb 0.51 0.32 -0.00 0.00 -3.07 0.00 0.00 36.82 34.57 2qtc h ILE 311 CO 0.06 0.00 0.01 -0.61 -0.69 0.00 0.00 178.15 176.92 2qtc h GLN 312 N 0.03 0.02 -0.51 2.37 4.15 -1.37 0.96 115.11 120.75 2qtc h GLN 312 Ca 0.34 -0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.84 2qtc h GLN 312 Cb 0.54 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.16 2qtc h GLN 312 CO -0.67 0.03 0.13 1.25 -1.93 0.00 0.00 178.83 177.64 2qtc h LEU 313 N -0.00 0.07 -1.04 -2.39 5.85 0.21 -0.36 115.31 117.64 2qtc h LEU 313 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2qtc h LEU 313 Cb 0.02 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.11 2qtc h LEU 313 CO -0.00 0.06 0.43 0.24 -0.34 0.00 0.00 178.44 178.83 2qtc h MET 314 N 0.28 1.10 -0.56 1.25 2.86 0.15 -2.53 114.93 117.48 2qtc h MET 314 Ca 0.25 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.68 2qtc h MET 314 Cb 0.32 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 2qtc h MET 314 CO -0.30 0.81 0.00 -0.91 1.06 0.00 0.00 176.91 177.57 2qtc h ASN 315 N 1.11 0.96 1.59 1.22 2.35 0.59 -3.24 115.58 120.16 2qtc h ASN 315 Ca 0.28 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2qtc h ASN 315 Cb 0.03 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.14 2qtc h ASN 315 CO -0.04 1.03 -0.07 1.05 -1.65 0.00 0.00 177.43 177.74 2qtc h GLU 316 N 0.87 0.00 -6.57 0.81 4.11 -0.84 -3.46 114.58 109.50 2qtc h GLU 316 Ca 0.16 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 59.06 2qtc h GLU 316 Cb 0.54 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.79 2qtc h GLU 316 CO 0.03 0.00 0.53 0.99 0.07 0.00 0.00 179.01 180.63 2qtc s THR 317 N -3.15 3.92 0.34 -1.06 2.01 -0.98 -5.03 115.64 111.69 2qtc s THR 317 Ca 0.09 1.50 -0.03 0.00 0.31 0.00 0.00 61.69 63.55 2qtc s THR 317 Cb 0.10 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2qtc s THR 317 CO 0.64 0.18 0.59 0.54 -0.69 0.00 0.00 174.62 175.88 2qtc s VAL 318 N 0.46 5.04 0.26 3.82 0.11 -1.26 -4.94 120.40 123.89 2qtc s VAL 318 Ca 0.55 -0.11 -0.06 0.00 -2.93 0.00 0.00 61.98 59.42 2qtc s VAL 318 Cb -0.30 -3.80 0.35 0.00 -1.53 0.00 0.00 36.38 31.10 2qtc s VAL 318 CO 0.32 -0.50 1.60 0.44 -3.33 0.00 0.00 175.10 173.64 2qtc h ASP 319 N 1.10 -0.56 -0.64 3.54 3.32 -1.02 -0.65 116.42 121.51 2qtc h ASP 319 Ca -0.48 0.24 0.06 0.00 0.02 0.00 0.00 57.03 56.87 2qtc h ASP 319 Cb 1.20 0.45 -0.06 0.00 0.22 0.00 0.00 39.33 41.15 2qtc h ASP 319 CO 0.64 -0.26 0.34 1.23 -1.72 0.00 0.00 179.24 179.47 2qtc h GLY 320 N 0.04 0.94 0.95 2.75 0.00 -1.13 -0.87 103.07 105.75 2qtc h GLY 320 Ca 0.46 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 2qtc h GLY 320 CO -0.81 0.13 0.01 -0.55 0.00 0.00 0.00 176.54 175.32 2qtc h ASP 321 N 0.63 0.02 -0.90 0.19 3.32 -1.37 -1.07 116.42 117.23 2qtc h ASP 321 Ca 0.29 -0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.40 2qtc h ASP 321 Cb 0.21 -0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 2qtc h ASP 321 CO -0.19 0.06 0.58 1.88 -1.72 0.00 0.00 179.24 179.84 2qtc h TYR 322 N -0.03 0.95 -0.19 4.55 0.05 -1.05 0.78 116.97 122.03 2qtc h TYR 322 Ca 0.00 0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.66 2qtc h TYR 322 Cb 0.05 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.47 2qtc h TYR 322 CO -0.06 0.42 -0.50 1.96 -1.05 0.00 0.00 178.16 178.93 2qtc h GLN 323 N 0.87 0.53 -0.15 4.88 1.08 -0.87 -3.10 115.11 118.34 2qtc h GLN 323 Ca 0.42 -0.31 0.02 0.00 -1.45 0.00 0.00 58.65 57.34 2qtc h GLN 323 Cb 0.45 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 2qtc h GLN 323 CO -0.19 0.90 0.01 1.15 -0.95 0.00 0.00 178.83 179.75 2qtc h THR 324 N 0.42 0.91 -0.13 -0.54 2.02 0.41 -3.04 112.91 112.96 2qtc h THR 324 Ca 0.02 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.23 2qtc h THR 324 Cb 1.02 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 68.22 2qtc h THR 324 CO 0.09 0.01 -0.24 -0.26 0.37 0.00 0.00 175.52 175.49 2qtc h PHE 325 N 0.06 -0.64 0.00 3.16 0.04 -1.06 -1.77 116.94 116.73 2qtc h PHE 325 Ca 0.07 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.87 2qtc h PHE 325 Cb 0.08 0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.53 2qtc h PHE 325 CO -0.14 -0.32 0.00 1.63 -0.60 0.00 0.00 178.31 178.87 2qtc n LYS 326 N -5.37 0.06 0.00 1.51 4.76 -1.15 -0.12 118.16 117.86 2qtc n LYS 326 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 2qtc n LYS 326 Cb 0.28 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 2qtc n LYS 326 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2qtc n SER 327 N -0.54 0.44 0.00 4.39 3.41 -0.67 -4.98 113.62 115.68 2qtc n SER 327 Ca 0.00 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 2qtc n SER 327 Cb 0.00 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2qtc n SER 327 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qtc n LYS 328 N -0.43 0.00 -3.83 4.33 4.76 0.84 -5.13 118.16 118.70 2qtc n LYS 328 Ca 0.00 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.37 2qtc n LYS 328 Cb 0.02 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.21 2qtc n LYS 328 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2qtc s ASP 329 N -1.00 -0.10 0.36 4.39 -4.77 -1.26 -5.01 116.67 109.27 2qtc s ASP 329 Ca 0.00 -0.84 0.13 0.00 -3.30 0.00 0.00 52.55 48.54 2qtc s ASP 329 Cb 0.00 0.74 0.95 0.00 -1.09 0.00 0.00 42.92 43.52 2qtc s ASP 329 CO 0.00 -1.42 1.77 1.23 0.70 0.00 0.00 175.17 177.45 2qtc h GLY 330 N 2.00 1.50 0.18 2.12 0.00 -1.93 -0.84 103.07 106.10 2qtc h GLY 330 Ca -0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 2qtc h GLY 330 CO 0.33 -0.13 -0.27 0.00 0.00 0.00 0.00 176.54 176.47 2qtc h ALA 331 N 1.65 -0.89 0.00 3.60 0.00 -1.96 0.24 119.26 121.90 2qtc h ALA 331 Ca 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2qtc h ALA 331 Cb 1.24 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2qtc h ALA 331 CO -0.35 -0.92 0.00 0.98 0.00 0.00 0.00 179.25 178.95 2qtc n TYR 332 N -3.96 0.65 -0.01 0.00 4.19 -0.73 -2.23 117.16 115.06 2qtc n TYR 332 Ca -0.05 0.34 -0.21 0.00 3.31 0.00 0.00 57.90 61.28 2qtc n TYR 332 Cb 0.23 -1.04 -0.14 0.00 0.49 0.00 0.00 39.34 38.88 2qtc n TYR 332 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 2qtc n VAL 333 N -2.17 1.75 0.54 2.97 0.31 -0.40 -1.49 118.33 119.84 2qtc n VAL 333 Ca -0.01 -0.57 0.07 0.00 -0.01 0.00 0.00 64.34 63.82 2qtc n VAL 333 Cb 0.04 -1.77 0.31 0.00 -0.91 0.00 0.00 33.84 31.51 2qtc n VAL 333 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2qtc n ARG 334 N -3.61 0.09 -0.04 5.55 1.85 0.72 -1.65 116.66 119.56 2qtc n ARG 334 Ca -0.32 0.22 -0.09 0.00 -1.00 0.00 0.00 57.85 56.66 2qtc n ARG 334 Cb 1.00 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.87 2qtc n ARG 334 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2qtc n GLU 335 N -1.41 0.19 -0.29 2.89 0.00 -1.13 -1.49 120.64 119.41 2qtc n GLU 335 Ca 0.05 0.08 0.06 0.00 0.00 0.00 0.00 57.16 57.34 2qtc n GLU 335 Cb 0.13 -0.90 0.20 0.00 0.00 0.00 0.00 31.44 30.87 2qtc n GLU 335 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2qtc n HIS 336 N -3.24 0.72 0.07 4.31 8.25 -0.55 -2.65 115.22 122.13 2qtc n HIS 336 Ca -0.17 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 56.98 2qtc n HIS 336 Cb 0.63 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.66 2qtc n HIS 336 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qtc n PHE 337 N 0.63 -1.55 0.08 4.41 7.35 -0.71 -4.86 117.46 122.81 2qtc n PHE 337 Ca 0.14 0.29 -0.02 0.00 -0.76 0.00 0.00 57.45 57.11 2qtc n PHE 337 Cb 0.47 0.82 0.23 0.00 0.35 0.00 0.00 39.48 41.34 2qtc n PHE 337 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2qtc h PHE 338 N 0.00 0.32 -0.44 -5.13 0.04 -1.49 -3.18 116.94 107.06 2qtc h PHE 338 Ca 0.00 -0.08 -0.58 0.00 2.80 0.00 0.00 57.97 60.11 2qtc h PHE 338 Cb 0.00 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.02 2qtc h PHE 338 CO 0.00 0.62 2.28 0.41 -0.60 0.00 0.00 178.31 181.02 2qtc n GLY 339 N -0.23 4.29 0.14 -1.45 0.00 -0.56 0.92 105.19 108.31 2qtc n GLY 339 Ca -0.01 -1.64 -0.01 0.00 0.00 0.00 0.00 46.02 44.35 2qtc n GLY 339 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qtc n LYS 340 N 2.56 0.04 -4.44 1.61 3.00 -1.20 -4.60 118.16 115.13 2qtc n LYS 340 Ca 0.64 0.01 -0.21 0.00 -0.00 0.00 0.00 58.31 58.75 2qtc n LYS 340 Cb 0.40 -0.96 -0.16 0.00 0.00 0.00 0.00 35.03 34.31 2qtc n LYS 340 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2qtc s TYR 341 N -2.03 1.07 0.59 5.64 2.02 -1.25 -5.01 117.35 118.38 2qtc s TYR 341 Ca -0.02 -0.29 0.29 0.00 -0.37 0.00 0.00 57.07 56.68 2qtc s TYR 341 Cb 0.01 -0.77 1.46 0.00 -0.40 0.00 0.00 41.96 42.26 2qtc s TYR 341 CO 0.03 -0.13 1.88 -1.35 -1.57 0.00 0.00 175.55 174.41 2qtc h PRO 342 N 6.47 0.00 0.02 -1.71 0.11 -1.96 0.20 132.00 135.13 2qtc h PRO 342 Ca -0.33 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.57 2qtc h PRO 342 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2qtc h PRO 342 CO 0.48 0.00 -0.97 0.93 -0.21 0.00 0.00 178.00 178.24 2qtc h GLU 343 N 0.00 0.08 0.00 1.05 3.07 -1.95 -2.43 114.58 114.39 2qtc h GLU 343 Ca 0.23 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 2qtc h GLU 343 Cb 1.26 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2qtc h GLU 343 CO -0.00 0.98 -0.04 1.79 -1.40 0.00 0.00 179.01 180.34 2qtc h THR 344 N 0.03 0.86 -0.12 1.13 1.35 -0.93 -2.98 112.91 112.26 2qtc h THR 344 Ca -0.03 -1.66 0.03 0.00 -0.55 0.00 0.00 66.41 64.20 2qtc h THR 344 Cb 1.67 1.64 -0.00 0.00 -1.73 0.00 0.00 68.15 69.72 2qtc h THR 344 CO 0.14 0.29 0.29 0.00 -0.25 0.00 0.00 175.52 175.99 2qtc h ALA 345 N -0.52 1.54 0.00 6.62 0.00 0.23 0.17 119.26 127.29 2qtc h ALA 345 Ca -0.01 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 2qtc h ALA 345 Cb 0.51 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2qtc h ALA 345 CO -0.00 -0.35 -0.48 0.00 0.00 0.00 0.00 179.25 178.42 2qtc h ALA 346 N 1.52 0.69 -0.13 0.00 0.00 -1.46 -3.02 119.26 116.87 2qtc h ALA 346 Ca 0.05 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 2qtc h ALA 346 Cb 0.64 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2qtc h ALA 346 CO -0.00 0.59 -0.40 -0.07 0.00 0.00 0.00 179.25 179.37 2qtc h LEU 347 N 0.00 0.29 -3.61 0.00 3.38 -0.50 -2.59 115.31 112.28 2qtc h LEU 347 Ca -0.01 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.69 2qtc h LEU 347 Cb 1.36 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.94 2qtc h LEU 347 CO 0.06 0.66 0.17 1.33 0.09 0.00 0.00 178.44 180.75 2qtc n VAL 348 N -4.04 2.79 0.22 1.22 0.24 -1.21 -4.54 118.33 113.01 2qtc n VAL 348 Ca -0.01 -1.75 -0.15 0.00 -2.04 0.00 0.00 64.34 60.38 2qtc n VAL 348 Cb 0.47 -0.33 -0.08 0.00 -1.47 0.00 0.00 33.84 32.43 2qtc n VAL 348 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qtc h ALA 349 N 2.56 -0.48 -0.54 2.33 0.00 -1.33 -2.93 119.26 118.87 2qtc h ALA 349 Ca 0.19 -0.11 -0.73 0.00 0.00 0.00 0.00 54.91 54.26 2qtc h ALA 349 Cb 2.10 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 19.98 2qtc h ALA 349 CO 0.60 -0.77 2.65 -0.25 0.00 0.00 0.00 179.25 181.48 2qtc n ASP 350 N -5.30 7.69 -3.82 0.00 8.00 -1.26 -4.89 116.55 116.97 2qtc n ASP 350 Ca -0.10 -3.03 -0.12 0.00 0.71 0.00 0.00 54.79 52.25 2qtc n ASP 350 Cb 0.21 -1.42 -0.11 0.00 -0.02 0.00 0.00 41.12 39.78 2qtc n ASP 350 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2qtc s TRP 351 N -0.24 -0.13 0.08 1.24 0.52 -1.11 -5.16 118.94 114.14 2qtc s TRP 351 Ca 0.55 0.28 -0.18 0.00 0.02 0.00 0.00 56.10 56.76 2qtc s TRP 351 Cb 0.17 0.04 -0.07 0.00 -1.15 0.00 0.00 33.47 32.46 2qtc s TRP 351 CO -0.08 -0.22 0.56 0.95 0.02 0.00 0.00 176.95 178.19 2qtc s THR 352 N -0.65 4.76 0.66 2.01 -4.23 -1.26 -4.92 115.64 112.00 2qtc s THR 352 Ca -0.07 1.15 0.23 0.00 -1.18 0.00 0.00 61.69 61.82 2qtc s THR 352 Cb -0.04 -3.87 0.23 0.00 1.34 0.00 0.00 72.50 70.16 2qtc s THR 352 CO 0.01 0.51 1.70 0.44 -0.54 0.00 0.00 174.62 176.74 2qtc h ASP 353 N 4.39 0.00 0.29 3.99 5.19 -1.96 1.32 116.42 129.63 2qtc h ASP 353 Ca -0.50 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.58 2qtc h ASP 353 Cb 1.21 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.75 2qtc h ASP 353 CO 0.64 0.00 -1.53 -0.33 -3.12 0.00 0.00 179.24 174.89 2qtc h GLU 354 N 0.00 0.47 0.00 3.56 3.07 -1.94 -2.05 114.58 117.69 2qtc h GLU 354 Ca 0.00 -0.81 0.00 0.00 -0.50 0.00 0.00 59.36 58.05 2qtc h GLU 354 Cb 0.97 0.30 0.00 0.00 -0.84 0.00 0.00 28.75 29.19 2qtc h GLU 354 CO 0.00 1.38 0.00 1.96 -1.40 0.00 0.00 179.01 180.95 2qtc h GLN 355 N 0.13 0.00 0.04 2.33 4.20 0.12 -1.66 115.11 120.28 2qtc h GLN 355 Ca -0.27 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.31 2qtc h GLN 355 Cb 2.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.91 2qtc h GLN 355 CO 0.24 0.00 -0.68 0.82 -0.67 0.00 0.00 178.83 178.54 2qtc h ILE 356 N 0.00 1.40 0.00 2.54 2.04 -0.96 -3.22 117.51 119.30 2qtc h ILE 356 Ca 0.00 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.52 2qtc h ILE 356 Cb 0.54 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 2qtc h ILE 356 CO 0.00 0.57 0.00 1.87 0.00 0.00 0.00 178.15 180.59 2qtc n TRP 357 N -4.37 0.60 0.18 1.37 -0.00 -0.77 -1.28 117.44 113.16 2qtc n TRP 357 Ca -0.19 0.29 0.07 0.00 -0.00 0.00 0.00 57.50 57.68 2qtc n TRP 357 Cb 0.65 -0.97 0.12 0.00 -0.00 0.00 0.00 31.31 31.12 2qtc n TRP 357 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2qtc h ALA 358 N 2.08 0.85 -2.69 5.87 0.00 -1.31 -3.46 119.26 120.59 2qtc h ALA 358 Ca 0.00 -0.23 -0.52 0.00 0.00 0.00 0.00 54.91 54.16 2qtc h ALA 358 Cb 0.09 -0.04 0.07 0.00 0.00 0.00 0.00 17.79 17.90 2qtc h ALA 358 CO 0.00 0.31 0.98 1.28 0.00 0.00 0.00 179.25 181.82 2qtc n LEU 359 N -3.17 4.13 -4.51 0.00 4.77 -0.41 -4.97 117.00 112.83 2qtc n LEU 359 Ca 0.03 1.09 -0.24 0.00 -0.03 0.00 0.00 56.01 56.85 2qtc n LEU 359 Cb 0.62 -1.58 -0.11 0.00 -2.33 0.00 0.00 43.42 40.02 2qtc n LEU 359 CO 0.37 0.19 -0.35 0.21 -1.33 0.00 0.00 177.39 176.48 2qtc s ASN 360 N 0.98 3.32 0.33 -1.43 3.84 -1.26 -5.06 114.94 115.66 2qtc s ASN 360 Ca 0.72 -1.24 -0.23 0.00 0.21 0.00 0.00 52.86 52.32 2qtc s ASN 360 Cb -0.50 -0.28 -0.10 0.00 -0.55 0.00 0.00 41.25 39.83 2qtc s ASN 360 CO 0.37 -0.33 0.89 -0.13 -2.79 0.00 0.00 177.10 175.11 2qtc s ARG 361 N -3.69 4.39 0.42 0.43 0.52 -1.26 -1.31 118.95 118.45 2qtc s ARG 361 Ca 0.32 1.13 0.17 0.00 -0.52 0.00 0.00 55.73 56.84 2qtc s ARG 361 Cb 0.05 -2.63 1.08 0.00 0.52 0.00 0.00 34.95 33.96 2qtc s ARG 361 CO 0.15 0.22 1.87 0.78 0.02 0.00 0.00 175.30 178.34 2qtc h GLY 362 N 2.83 0.83 1.62 -3.53 0.00 -0.41 -1.04 103.07 103.37 2qtc h GLY 362 Ca -0.48 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.67 2qtc h GLY 362 CO 0.64 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.80 2qtc n GLY 363 N -1.52 -0.58 0.62 4.60 0.00 0.22 -1.47 105.19 107.05 2qtc n GLY 363 Ca 0.18 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.25 2qtc n GLY 363 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qtc n HIS 364 N -1.31 0.00 -3.74 1.61 8.25 -0.39 -4.38 115.22 115.26 2qtc n HIS 364 Ca 0.04 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.12 2qtc n HIS 364 Cb 0.07 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.06 2qtc n HIS 364 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qtc s ASP 365 N -1.49 5.31 0.51 0.41 -1.08 -0.54 -4.98 116.67 114.81 2qtc s ASP 365 Ca 0.18 -1.04 0.21 0.00 -0.52 0.00 0.00 52.55 51.38 2qtc s ASP 365 Cb 0.14 -1.88 1.30 0.00 -1.46 0.00 0.00 42.92 41.02 2qtc s ASP 365 CO 0.25 -0.30 2.04 -0.65 0.52 0.00 0.00 175.17 177.02 2qtc h PRO 366 N 8.24 0.06 -0.55 4.34 0.11 -1.90 -0.96 132.00 141.33 2qtc h PRO 366 Ca -0.25 -0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.75 2qtc h PRO 366 Cb 1.09 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2qtc h PRO 366 CO 0.61 0.04 -0.09 0.87 -0.21 0.00 0.00 178.00 179.22 2qtc h LYS 367 N 0.06 1.03 -0.22 1.05 1.57 -1.93 0.17 116.57 118.29 2qtc h LYS 367 Ca 0.17 -0.37 -0.16 0.00 -1.87 0.00 0.00 60.65 58.43 2qtc h LYS 367 Cb 0.62 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2qtc h LYS 367 CO -0.01 1.06 -0.50 0.87 -0.57 0.00 0.00 179.45 180.30 2qtc h LYS 368 N 0.90 0.60 -0.09 3.15 1.79 -1.60 -2.82 116.57 118.51 2qtc h LYS 368 Ca 0.14 -0.36 -0.02 0.00 -2.18 0.00 0.00 60.65 58.24 2qtc h LYS 368 Cb 0.66 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.34 2qtc h LYS 368 CO 0.05 0.96 -0.02 0.82 -1.08 0.00 0.00 179.45 180.18 2qtc h ILE 369 N 0.47 1.29 -0.48 1.86 2.04 -1.00 -2.99 117.51 118.70 2qtc h ILE 369 Ca 0.02 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.00 2qtc h ILE 369 Cb 1.04 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 38.81 2qtc h ILE 369 CO 0.10 0.26 0.16 0.22 0.00 0.00 0.00 178.15 178.90 2qtc h TYR 370 N -0.16 0.29 -0.65 1.37 3.20 -0.68 -2.13 116.97 118.21 2qtc h TYR 370 Ca 0.02 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.01 2qtc h TYR 370 Cb 0.43 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.57 2qtc h TYR 370 CO 0.05 0.09 0.29 0.00 -1.64 0.00 0.00 178.16 176.95 2qtc h ALA 371 N 1.32 0.87 0.36 1.82 0.00 -1.46 0.11 119.26 122.29 2qtc h ALA 371 Ca 0.23 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2qtc h ALA 371 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2qtc h ALA 371 CO -0.24 -0.12 -0.17 0.00 0.00 0.00 0.00 179.25 178.71 2qtc h ALA 372 N 1.42 -0.49 -0.23 0.00 0.00 -1.26 0.78 119.26 119.49 2qtc h ALA 372 Ca 0.33 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2qtc h ALA 372 Cb 0.37 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2qtc h ALA 372 CO -0.28 -0.76 -0.07 0.74 0.00 0.00 0.00 179.25 178.87 2qtc h PHE 373 N -0.51 0.37 -0.23 0.00 -1.00 -1.16 0.12 116.94 114.52 2qtc h PHE 373 Ca -0.05 -0.04 -0.10 0.00 2.81 0.00 0.00 57.97 60.59 2qtc h PHE 373 Cb 0.39 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 39.84 2qtc h PHE 373 CO -0.04 0.44 -0.25 -0.22 -1.61 0.00 0.00 178.31 176.62 2qtc h LYS 374 N 0.34 0.58 -0.81 1.51 1.63 -0.57 -0.56 116.57 118.69 2qtc h LYS 374 Ca 0.07 -0.31 -0.04 0.00 -0.85 0.00 0.00 60.65 59.52 2qtc h LYS 374 Cb 0.35 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.96 2qtc h LYS 374 CO 0.02 0.90 0.33 -0.22 -3.45 0.00 0.00 179.45 177.03 2qtc h LYS 375 N 0.28 1.19 -0.38 1.90 3.64 -0.44 -2.09 116.57 120.67 2qtc h LYS 375 Ca 0.04 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2qtc h LYS 375 Cb 0.81 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 2qtc h LYS 375 CO 0.06 0.96 0.22 0.00 -2.27 0.00 0.00 179.45 178.42 2qtc h ALA 376 N 1.19 0.48 -0.38 5.00 0.00 -0.60 -2.03 119.26 122.93 2qtc h ALA 376 Ca 0.27 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2qtc h ALA 376 Cb 0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2qtc h ALA 376 CO -0.02 -0.01 0.26 0.37 0.00 0.00 0.00 179.25 179.84 2qtc h GLN 377 N 0.49 0.38 0.00 0.00 4.15 -0.78 -2.50 115.11 116.85 2qtc h GLN 377 Ca 0.13 -0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.34 2qtc h GLN 377 Cb 0.02 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 2qtc h GLN 377 CO -0.02 0.25 -0.97 0.93 -1.93 0.00 0.00 178.83 177.09 2qtc h GLU 378 N 0.39 0.00 -6.76 1.69 5.08 -0.93 -3.47 114.58 110.57 2qtc h GLU 378 Ca 0.16 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.99 2qtc h GLU 378 Cb 0.15 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.46 2qtc h GLU 378 CO -0.04 0.82 0.82 0.99 -1.00 0.00 0.00 179.01 180.61 2qtc s THR 379 N -2.76 2.40 0.13 1.13 2.01 -0.80 -5.04 115.64 112.71 2qtc s THR 379 Ca 0.01 0.34 0.08 0.00 0.31 0.00 0.00 61.69 62.43 2qtc s THR 379 Cb 0.09 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.35 2qtc s THR 379 CO 0.80 0.05 -0.19 -0.54 -0.69 0.00 0.00 174.62 174.06 2qtc s LYS 380 N -0.31 1.17 0.00 4.92 -0.14 -1.26 -4.83 119.74 119.29 2qtc s LYS 380 Ca 0.62 -1.27 0.00 0.00 -1.36 0.00 0.00 55.97 53.96 2qtc s LYS 380 Cb -0.45 -1.30 0.00 0.00 -1.68 0.00 0.00 37.83 34.40 2qtc s LYS 380 CO 0.44 0.28 0.00 0.41 -0.76 0.00 0.00 175.35 175.72 2qtc n GLY 381 N 0.70 2.38 3.60 -3.33 0.00 -1.26 -5.00 105.19 102.29 2qtc n GLY 381 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2qtc n GLY 381 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qtc s LYS 382 N -0.58 1.48 0.51 1.61 -2.85 -1.26 -4.54 119.74 114.11 2qtc s LYS 382 Ca 0.00 -0.78 -0.07 0.00 -1.00 0.00 0.00 55.97 54.13 2qtc s LYS 382 Cb 0.00 0.57 -0.04 0.00 -2.06 0.00 0.00 37.83 36.30 2qtc s LYS 382 CO 0.00 -0.65 0.84 0.00 0.10 0.00 0.00 175.35 175.64 2qtc s ALA 383 N -3.85 3.33 0.02 0.59 0.00 -1.22 -3.59 121.76 117.04 2qtc s ALA 383 Ca 0.07 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.72 2qtc s ALA 383 Cb -0.03 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 2qtc s ALA 383 CO -0.03 -0.40 -0.23 0.99 0.00 0.00 0.00 175.76 176.10 2qtc s THR 384 N -2.81 2.42 -0.08 0.00 2.01 -1.03 -0.62 115.64 115.53 2qtc s THR 384 Ca 0.49 -1.19 0.03 0.00 0.31 0.00 0.00 61.69 61.33 2qtc s THR 384 Cb -0.10 -1.94 0.01 0.00 0.01 0.00 0.00 72.50 70.47 2qtc s THR 384 CO 0.46 0.43 -0.18 0.54 -0.69 0.00 0.00 174.62 175.18 2qtc s VAL 385 N -0.79 1.56 -0.26 3.82 0.11 -0.31 -1.09 120.40 123.45 2qtc s VAL 385 Ca 0.12 -0.73 -0.07 0.00 -2.93 0.00 0.00 61.98 58.38 2qtc s VAL 385 Cb -0.10 -1.39 -0.02 0.00 -1.53 0.00 0.00 36.38 33.35 2qtc s VAL 385 CO 0.02 0.45 0.05 -0.63 -3.33 0.00 0.00 175.10 171.67 2qtc s ILE 386 N 0.55 4.07 -0.50 7.04 1.01 0.42 -1.13 121.20 132.65 2qtc s ILE 386 Ca -0.16 -0.36 -0.16 0.00 0.00 0.00 0.00 60.65 59.97 2qtc s ILE 386 Cb -0.17 -2.94 0.09 0.00 0.01 0.00 0.00 42.46 39.44 2qtc s ILE 386 CO 0.06 0.29 0.48 -0.76 0.00 0.00 0.00 174.94 175.00 2qtc s LEU 387 N 1.56 5.63 -0.32 2.97 1.43 0.02 -1.26 118.68 128.72 2qtc s LEU 387 Ca 0.05 -1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 51.62 2qtc s LEU 387 Cb -0.15 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.80 2qtc s LEU 387 CO 0.02 -0.77 0.40 0.00 0.23 0.00 0.00 176.35 176.23 2qtc s ALA 388 N 1.88 3.52 -0.35 4.21 0.00 -0.63 -0.34 121.76 130.04 2qtc s ALA 388 Ca 0.06 -1.01 -0.24 0.00 0.00 0.00 0.00 51.96 50.77 2qtc s ALA 388 Cb -0.25 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.06 2qtc s ALA 388 CO 0.07 -0.95 0.85 -1.58 0.00 0.00 0.00 175.76 174.15 2qtc s HIS 389 N 2.13 3.12 0.34 0.00 2.46 -0.40 0.86 115.29 123.81 2qtc s HIS 389 Ca 0.15 0.71 0.04 0.00 0.47 0.00 0.00 55.06 56.43 2qtc s HIS 389 Cb -0.16 -3.46 -0.03 0.00 -0.13 0.00 0.00 32.58 28.79 2qtc s HIS 389 CO 0.11 -0.73 0.17 0.95 -2.47 0.00 0.00 174.74 172.77 2qtc s THR 390 N 3.23 0.36 -0.24 0.89 -4.23 -0.89 0.70 115.64 115.46 2qtc s THR 390 Ca 0.35 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 2qtc s THR 390 Cb -0.13 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.25 2qtc s THR 390 CO 0.17 0.00 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.59 2qtc s ILE 391 N -3.44 3.35 0.22 2.99 1.01 -1.26 -4.24 121.20 119.82 2qtc s ILE 391 Ca 0.33 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 60.01 2qtc s ILE 391 Cb 0.04 -2.60 -0.09 0.00 0.01 0.00 0.00 42.46 39.81 2qtc s ILE 391 CO 0.19 0.31 1.37 -0.75 0.00 0.00 0.00 174.94 176.06 2qtc s LYS 392 N 1.44 4.33 -0.56 2.79 2.20 -1.26 -1.95 119.74 126.74 2qtc s LYS 392 Ca 0.04 2.17 0.00 0.00 -0.36 0.00 0.00 55.97 57.82 2qtc s LYS 392 Cb -0.15 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 2qtc s LYS 392 CO -0.03 -0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.03 2qtc n GLY 393 N 2.38 0.62 3.60 5.54 0.00 -0.99 -4.93 105.19 111.40 2qtc n GLY 393 Ca 0.07 -0.76 -0.55 0.00 0.00 0.00 0.00 46.02 44.77 2qtc n GLY 393 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2qtc n TYR 394 N -3.18 1.40 -0.94 1.61 9.36 -0.82 -1.13 117.16 123.47 2qtc n TYR 394 Ca -0.06 0.75 0.00 0.00 3.32 0.00 0.00 57.90 61.91 2qtc n TYR 394 Cb 0.29 -2.29 0.00 0.00 -0.63 0.00 0.00 39.34 36.71 2qtc n TYR 394 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2qtc n GLY 395 N 2.62 0.21 0.64 2.98 0.00 -1.26 -4.80 105.19 105.58 2qtc n GLY 395 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.35 2qtc n GLY 395 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2qtc n MET 396 N -0.73 1.86 0.00 1.61 2.81 -0.28 -4.67 117.12 117.72 2qtc n MET 396 Ca 0.00 -1.28 0.00 0.00 -1.81 0.00 0.00 57.70 54.61 2qtc n MET 396 Cb 0.26 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 2qtc n MET 396 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qtc n GLY 397 N 1.21 1.15 0.00 3.03 0.00 -1.25 -3.07 105.19 106.27 2qtc n GLY 397 Ca 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2qtc n GLY 397 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qtc n ASP 398 N -2.17 0.00 0.00 1.61 5.75 -1.26 -2.98 116.55 117.50 2qtc n ASP 398 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2qtc n ASP 398 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2qtc n ASP 398 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qtc n ALA 399 N -2.62 0.00 0.34 2.12 0.00 -1.17 -5.24 120.51 113.93 2qtc n ALA 399 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2qtc n ALA 399 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 2qtc n ALA 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qtc h ALA 400 N -2.00 0.73 0.00 0.00 0.00 -1.69 -3.51 119.26 112.79 2qtc h ALA 400 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qtc h ALA 400 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qtc h ALA 400 CO 0.00 0.00 0.26 -1.33 0.00 0.00 0.00 179.25 178.18 2qtc n MET 414 N -2.58 0.00 0.12 0.00 0.00 -1.26 -3.78 117.12 109.62 2qtc n MET 414 Ca 0.03 0.18 -0.20 0.00 0.00 0.00 0.00 57.70 57.71 2qtc n MET 414 Cb 0.50 -1.76 -0.14 0.00 0.00 0.00 0.00 33.22 31.82 2qtc n MET 414 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2qtc h ASP 415 N 0.00 0.68 -0.27 7.83 5.19 -2.04 -1.76 116.42 126.04 2qtc h ASP 415 Ca 0.00 -0.70 -0.14 0.00 -0.62 0.00 0.00 57.03 55.58 2qtc h ASP 415 Cb 0.52 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 2qtc h ASP 415 CO 0.00 1.53 -0.34 1.23 -3.12 0.00 0.00 179.24 178.55 2qtc h GLY 416 N 0.79 0.87 1.04 2.75 0.00 -1.99 -1.32 103.07 105.22 2qtc h GLY 416 Ca -0.19 -0.84 -0.08 0.00 0.00 0.00 0.00 47.33 46.22 2qtc h GLY 416 CO 0.24 0.76 0.05 -2.08 0.00 0.00 0.00 176.54 175.51 2qtc h VAL 417 N 0.67 1.26 -0.68 4.60 2.07 -1.99 -1.49 116.25 120.69 2qtc h VAL 417 Ca 0.07 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 2qtc h VAL 417 Cb 0.89 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2qtc h VAL 417 CO 0.08 0.38 0.42 0.03 0.02 0.00 0.00 177.57 178.50 2qtc h ARG 418 N 0.89 0.92 -0.19 1.57 2.47 -1.17 -1.19 114.38 117.67 2qtc h ARG 418 Ca 0.17 -0.08 0.02 0.00 -1.26 0.00 0.00 59.98 58.83 2qtc h ARG 418 Cb 0.48 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.58 2qtc h ARG 418 CO 0.02 0.64 0.06 1.25 0.56 0.00 0.00 179.97 182.51 2qtc h HIS 419 N 0.93 0.11 -0.44 3.04 2.76 -0.76 -0.73 115.15 120.06 2qtc h HIS 419 Ca 0.25 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.44 2qtc h HIS 419 Cb -0.05 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 2qtc h HIS 419 CO -0.02 0.06 0.27 0.82 -1.30 0.00 0.00 177.93 177.76 2qtc h ILE 420 N 0.16 1.08 -0.54 6.26 5.03 -0.89 0.18 117.51 128.79 2qtc h ILE 420 Ca 0.08 -0.19 0.06 0.00 -0.12 0.00 0.00 64.86 64.70 2qtc h ILE 420 Cb 0.06 0.47 -0.05 0.00 -3.03 0.00 0.00 36.82 34.26 2qtc h ILE 420 CO -0.09 0.10 0.24 -0.09 -0.68 0.00 0.00 178.15 177.63 2qtc h ARG 421 N 0.55 0.45 -0.06 2.37 1.12 -0.94 -1.93 114.38 115.95 2qtc h ARG 421 Ca 0.17 -0.03 -0.07 0.00 -1.11 0.00 0.00 59.98 58.95 2qtc h ARG 421 Cb -0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 29.84 2qtc h ARG 421 CO -0.06 0.29 -0.22 -0.44 -3.11 0.00 0.00 179.97 176.43 2qtc h ASP 422 N 0.46 0.29 -0.99 -3.80 3.32 -0.68 -0.14 116.42 114.88 2qtc h ASP 422 Ca 0.25 -0.63 0.16 0.00 0.02 0.00 0.00 57.03 56.83 2qtc h ASP 422 Cb 0.22 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.59 2qtc h ASP 422 CO -0.21 0.88 0.60 -0.09 -1.72 0.00 0.00 179.24 178.70 2qtc h ARG 423 N -0.27 0.81 -0.40 3.56 9.65 -0.46 -2.15 114.38 125.12 2qtc h ARG 423 Ca -0.01 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2qtc h ARG 423 Cb 0.86 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 2qtc h ARG 423 CO 0.05 0.54 0.00 1.19 2.80 0.00 0.00 179.97 184.54 2qtc n PHE 424 N -4.72 0.84 -3.88 2.20 3.72 -0.74 -4.97 117.46 109.91 2qtc n PHE 424 Ca 0.21 -0.64 -0.24 0.00 -0.05 0.00 0.00 57.45 56.73 2qtc n PHE 424 Cb 0.48 -0.16 -0.01 0.00 -0.94 0.00 0.00 39.48 38.86 2qtc n PHE 424 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qtc n ASN 425 N 0.39 -0.63 -4.73 4.37 4.13 -0.81 -4.83 115.26 113.15 2qtc n ASN 425 Ca 0.18 -0.96 -0.41 0.00 1.68 0.00 0.00 54.58 55.07 2qtc n ASN 425 Cb 0.67 -3.32 -0.04 0.00 -1.54 0.00 0.00 39.78 35.56 2qtc n ASN 425 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2qtc s VAL 426 N -3.88 3.90 -1.19 2.41 1.01 -0.12 -4.92 120.40 117.62 2qtc s VAL 426 Ca 0.01 1.54 -0.18 0.00 0.00 0.00 0.00 61.98 63.36 2qtc s VAL 426 Cb -0.00 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2qtc s VAL 426 CO 0.87 0.22 2.04 -0.81 0.00 0.00 0.00 175.10 177.41 2qtc n PRO 427 N 2.84 2.35 -3.90 2.72 -0.04 -1.26 -4.81 135.00 132.90 2qtc n PRO 427 Ca 0.05 -2.44 -0.21 0.00 -0.04 0.00 0.00 63.50 60.86 2qtc n PRO 427 Cb 0.46 -3.24 -0.17 0.00 -0.04 0.00 0.00 33.50 30.51 2qtc n PRO 427 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2qtc s VAL 428 N 4.64 0.35 0.64 0.52 1.01 -1.26 -5.04 120.40 121.26 2qtc s VAL 428 Ca 0.53 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.47 2qtc s VAL 428 Cb 0.11 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 2qtc s VAL 428 CO 0.02 0.22 1.04 -0.94 0.00 0.00 0.00 175.10 175.45 2qtc s SER 429 N 1.49 6.08 0.40 3.32 1.04 -1.26 -4.83 113.70 119.93 2qtc s SER 429 Ca -0.03 1.36 0.11 0.00 0.48 0.00 0.00 55.95 57.88 2qtc s SER 429 Cb -0.13 -2.36 0.91 0.00 0.10 0.00 0.00 66.02 64.54 2qtc s SER 429 CO -0.03 -0.96 1.95 0.44 0.98 0.00 0.00 173.24 175.62 2qtc h ASP 430 N -0.38 0.51 -0.08 7.02 5.19 -2.00 0.20 116.42 126.87 2qtc h ASP 430 Ca -0.44 0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 55.91 2qtc h ASP 430 Cb 1.20 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 2qtc h ASP 430 CO 0.62 0.30 -0.14 0.00 -3.12 0.00 0.00 179.24 176.90 2qtc h ALA 431 N 1.65 1.29 0.00 3.45 0.00 -2.06 -3.22 119.26 120.37 2qtc h ALA 431 Ca 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qtc h ALA 431 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qtc h ALA 431 CO -0.11 0.47 -1.53 -0.25 0.00 0.00 0.00 179.25 177.83 2qtc n ASP 432 N -4.21 0.38 -0.28 0.00 8.00 -0.40 -4.56 116.55 115.48 2qtc n ASP 432 Ca 0.00 -0.04 0.12 0.00 0.71 0.00 0.00 54.79 55.58 2qtc n ASP 432 Cb 0.32 1.36 0.37 0.00 -0.02 0.00 0.00 41.12 43.15 2qtc n ASP 432 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2qtc h ILE 433 N 0.00 0.82 0.00 0.53 2.10 -1.03 -0.95 117.51 118.98 2qtc h ILE 433 Ca 0.00 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.70 2qtc h ILE 433 Cb 0.91 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 36.70 2qtc h ILE 433 CO 0.00 0.13 0.00 -0.62 -1.08 0.00 0.00 178.15 176.58 2qtc n GLU 434 N -4.58 0.08 0.00 2.19 4.71 -1.26 -1.62 120.64 120.15 2qtc n GLU 434 Ca 0.18 0.35 0.14 0.00 -0.01 0.00 0.00 57.16 57.82 2qtc n GLU 434 Cb 0.49 -1.66 0.58 0.00 -1.01 0.00 0.00 31.44 29.84 2qtc n GLU 434 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2qtc n LYS 435 N -1.81 1.46 -3.98 3.49 5.02 -0.36 -4.94 118.16 117.05 2qtc n LYS 435 Ca 0.02 -0.76 -0.26 0.00 -2.02 0.00 0.00 58.31 55.29 2qtc n LYS 435 Cb 0.17 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 2qtc n LYS 435 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2qtc n LEU 436 N -0.11 -2.18 -4.77 -0.35 4.77 -0.64 -4.91 117.00 108.81 2qtc n LEU 436 Ca 0.19 -1.01 -0.36 0.00 -0.03 0.00 0.00 56.01 54.81 2qtc n LEU 436 Cb 0.32 -2.22 0.01 0.00 -2.33 0.00 0.00 43.42 39.20 2qtc n LEU 436 CO 0.18 0.42 0.81 -2.16 -1.33 0.00 0.00 177.39 175.31 2qtc s PRO 437 N -6.59 3.30 0.34 3.23 0.04 -1.26 -4.94 135.00 129.12 2qtc s PRO 437 Ca 0.08 1.71 -0.08 0.00 0.04 0.00 0.00 61.00 62.74 2qtc s PRO 437 Cb -0.04 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 2qtc s PRO 437 CO 0.89 -0.92 0.66 0.71 0.04 0.00 0.00 177.00 178.39 2qtc s TYR 438 N -1.68 3.47 0.07 0.56 2.02 -1.26 -4.90 117.35 115.63 2qtc s TYR 438 Ca 0.73 0.86 0.03 0.00 -0.37 0.00 0.00 57.07 58.31 2qtc s TYR 438 Cb -0.27 -2.28 -0.04 0.00 -0.40 0.00 0.00 41.96 38.97 2qtc s TYR 438 CO 0.30 0.04 0.07 0.42 -1.57 0.00 0.00 175.55 174.80 2qtc s ILE 439 N -2.22 4.48 0.05 2.71 1.01 -1.26 -5.10 121.20 120.87 2qtc s ILE 439 Ca 0.48 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 60.38 2qtc s ILE 439 Cb -0.10 -3.14 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2qtc s ILE 439 CO 0.30 0.16 -0.03 0.42 0.00 0.00 0.00 174.94 175.79 2qtc s THR 440 N -1.34 0.23 -0.26 2.92 -4.23 -1.26 -4.87 115.64 106.83 2qtc s THR 440 Ca 0.28 -1.67 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 2qtc s THR 440 Cb -0.12 -1.33 0.04 0.00 1.34 0.00 0.00 72.50 72.43 2qtc s THR 440 CO 0.20 -0.91 -0.06 -0.36 -0.54 0.00 0.00 174.62 172.95 2qtc s PHE 441 N -3.50 3.14 0.63 3.99 0.08 -1.26 -5.10 117.98 115.97 2qtc s PHE 441 Ca 0.04 -1.81 -0.18 0.00 0.12 0.00 0.00 56.93 55.09 2qtc s PHE 441 Cb 0.05 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.44 2qtc s PHE 441 CO -0.08 -0.79 1.22 -0.35 -0.10 0.00 0.00 175.22 175.12 2qtc n PRO 442 N 4.60 1.09 -1.82 0.24 -0.04 -1.26 -4.63 135.00 133.18 2qtc n PRO 442 Ca -0.15 0.42 -0.41 0.00 -0.04 0.00 0.00 63.50 63.32 2qtc n PRO 442 Cb 0.45 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.45 2qtc n PRO 442 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2qtc s GLU 443 N -3.20 4.14 0.00 0.54 2.12 -1.26 -1.57 118.70 119.47 2qtc s GLU 443 Ca 0.81 2.54 0.00 0.00 0.36 0.00 0.00 54.97 58.68 2qtc s GLU 443 Cb -0.39 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 30.99 2qtc s GLU 443 CO 0.42 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 2qtc n GLY 444 N 1.47 2.94 3.81 -1.50 0.00 -1.26 -5.06 105.19 105.59 2qtc n GLY 444 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 2qtc n GLY 444 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qtc s SER 445 N -0.22 5.92 0.18 1.61 1.04 -0.61 -4.90 113.70 116.73 2qtc s SER 445 Ca 0.00 1.81 -0.13 0.00 0.48 0.00 0.00 55.95 58.12 2qtc s SER 445 Cb 0.00 -2.53 0.14 0.00 0.10 0.00 0.00 66.02 63.73 2qtc s SER 445 CO 0.00 -1.07 1.80 -0.33 0.98 0.00 0.00 173.24 174.61 2qtc h GLU 446 N 0.61 0.55 -0.17 4.02 5.08 -1.97 -1.17 114.58 121.53 2qtc h GLU 446 Ca -0.47 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 2qtc h GLU 446 Cb 1.22 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2qtc h GLU 446 CO 0.58 0.36 0.07 0.93 -1.00 0.00 0.00 179.01 179.95 2qtc h GLU 447 N 0.57 0.15 -0.50 2.33 3.07 -1.92 -0.39 114.58 117.89 2qtc h GLU 447 Ca 0.23 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 59.07 2qtc h GLU 447 Cb 0.10 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 2qtc h GLU 447 CO -0.14 0.10 0.27 1.25 -1.40 0.00 0.00 179.01 179.09 2qtc h HIS 448 N 0.15 0.69 -0.01 4.33 2.76 -1.75 -0.74 115.15 120.58 2qtc h HIS 448 Ca 0.07 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2qtc h HIS 448 Cb 0.04 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 28.78 2qtc h HIS 448 CO -0.11 0.52 0.01 1.15 -1.30 0.00 0.00 177.93 178.20 2qtc h THR 449 N 0.67 1.04 -0.25 6.26 2.02 -0.93 -2.54 112.91 119.18 2qtc h THR 449 Ca 0.18 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.21 2qtc h THR 449 Cb 0.06 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 2qtc h THR 449 CO -0.03 0.03 0.06 0.22 0.37 0.00 0.00 175.52 176.17 2qtc h TYR 450 N -0.03 0.43 -0.30 3.16 5.03 -0.99 -0.42 116.97 123.84 2qtc h TYR 450 Ca 0.00 -0.05 0.06 0.00 2.58 0.00 0.00 58.73 61.32 2qtc h TYR 450 Cb 0.05 -0.12 -0.08 0.00 1.55 0.00 0.00 36.73 38.13 2qtc h TYR 450 CO -0.06 0.50 -0.46 1.25 -1.32 0.00 0.00 178.16 178.07 2qtc h LEU 451 N 0.23 -1.49 -0.51 2.82 5.85 -1.08 -0.97 115.31 120.14 2qtc h LEU 451 Ca 0.08 0.21 -0.15 0.00 0.84 0.00 0.00 57.88 58.85 2qtc h LEU 451 Cb 0.29 0.63 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 2qtc h LEU 451 CO 0.00 -0.40 -0.46 0.45 -0.34 0.00 0.00 178.44 177.69 2qtc h HIS 452 N -0.41 0.84 -0.38 1.25 3.86 -1.43 -2.97 115.15 115.92 2qtc h HIS 452 Ca 0.10 -0.27 0.03 0.00 -1.16 0.00 0.00 60.37 59.07 2qtc h HIS 452 Cb 0.61 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.88 2qtc h HIS 452 CO -0.60 1.02 0.19 0.00 0.86 0.00 0.00 177.93 179.40 2qtc h ALA 453 N 0.93 0.46 -0.57 2.45 0.00 -0.51 0.34 119.26 122.37 2qtc h ALA 453 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2qtc h ALA 453 Cb 1.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2qtc h ALA 453 CO 0.10 -0.18 0.30 1.96 0.00 0.00 0.00 179.25 181.43 2qtc h GLN 454 N 0.39 0.80 -0.45 0.00 1.08 -1.23 -1.65 115.11 114.04 2qtc h GLN 454 Ca 0.16 -0.10 -0.10 0.00 -1.45 0.00 0.00 58.65 57.15 2qtc h GLN 454 Cb 0.06 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2qtc h GLN 454 CO -0.11 0.63 -0.13 0.00 -0.95 0.00 0.00 178.83 178.28 2qtc h ARG 455 N 0.77 0.84 -0.55 1.46 2.47 -1.24 -2.95 114.38 115.17 2qtc h ARG 455 Ca 0.20 -0.30 -0.06 0.00 -1.26 0.00 0.00 59.98 58.56 2qtc h ARG 455 Cb 0.08 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.31 2qtc h ARG 455 CO -0.03 0.92 0.09 1.96 0.56 0.00 0.00 179.97 183.47 2qtc h GLN 456 N 0.75 0.88 0.00 0.04 1.08 0.08 -0.53 115.11 117.41 2qtc h GLN 456 Ca 0.12 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 2qtc h GLN 456 Cb 0.64 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2qtc h GLN 456 CO 0.04 0.82 -0.01 0.87 -0.95 0.00 0.00 178.83 179.61 2qtc h LYS 457 N 0.83 0.00 -0.58 1.46 1.57 -1.15 -1.98 116.57 116.71 2qtc h LYS 457 Ca 0.17 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.67 2qtc h LYS 457 Cb 0.37 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.51 2qtc h LYS 457 CO 0.01 0.01 0.19 1.28 -0.57 0.00 0.00 179.45 180.36 2qtc n LEU 458 N -3.14 5.10 -0.14 2.94 4.77 -0.30 -4.96 117.00 121.27 2qtc n LEU 458 Ca -0.02 -3.66 -0.02 0.00 -0.03 0.00 0.00 56.01 52.28 2qtc n LEU 458 Cb 0.13 -0.71 -0.01 0.00 -2.33 0.00 0.00 43.42 40.50 2qtc n LEU 458 CO 0.22 1.14 -0.02 1.41 -1.33 0.00 0.00 177.39 178.82 2qtc n HIS 459 N -1.05 0.00 0.00 -1.77 8.25 -0.74 -1.18 115.22 118.72 2qtc n HIS 459 Ca 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.88 2qtc n HIS 459 Cb 1.26 -0.95 0.00 0.00 1.12 0.00 0.00 29.99 31.42 2qtc n HIS 459 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qtc n GLY 460 N -1.60 0.46 3.53 -1.41 0.00 -0.65 -4.60 105.19 100.92 2qtc n GLY 460 Ca -0.02 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 2qtc n GLY 460 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qtc s TYR 461 N -0.97 2.68 0.04 1.61 1.51 -1.26 -4.63 117.35 116.32 2qtc s TYR 461 Ca 0.00 -0.18 -0.08 0.00 -1.01 0.00 0.00 57.07 55.79 2qtc s TYR 461 Cb 0.00 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 2qtc s TYR 461 CO 0.00 0.34 0.17 -0.48 -1.11 0.00 0.00 175.55 174.48 2qtc s LEU 462 N -1.74 1.47 0.63 -1.29 2.34 -1.26 -4.41 118.68 114.41 2qtc s LEU 462 Ca 0.17 -0.39 -0.14 0.00 0.06 0.00 0.00 54.13 53.84 2qtc s LEU 462 Cb -0.11 0.86 -0.02 0.00 -0.56 0.00 0.00 46.19 46.36 2qtc s LEU 462 CO 0.09 -0.53 1.05 -2.16 -1.06 0.00 0.00 176.35 173.73 2qtc s PRO 463 N -2.48 3.26 0.08 1.48 0.04 -1.26 -5.00 135.00 131.12 2qtc s PRO 463 Ca -0.06 1.05 -0.22 0.00 0.04 0.00 0.00 61.00 61.81 2qtc s PRO 463 Cb -0.02 -2.03 0.05 0.00 0.04 0.00 0.00 34.50 32.55 2qtc s PRO 463 CO -0.04 -0.84 0.52 -1.54 0.04 0.00 0.00 177.00 175.14 2qtc s SER 464 N -3.30 -0.44 -0.03 6.66 1.04 -0.97 -4.81 113.70 111.84 2qtc s SER 464 Ca 0.60 0.07 -0.03 0.00 0.48 0.00 0.00 55.95 57.07 2qtc s SER 464 Cb -0.14 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.50 2qtc s SER 464 CO 0.44 -0.79 0.09 -0.60 0.98 0.00 0.00 173.24 173.37 2qtc s ARG 465 N -2.91 0.13 -0.35 4.02 3.52 -0.48 -4.81 118.95 118.08 2qtc s ARG 465 Ca -0.03 0.08 -0.11 0.00 -0.13 0.00 0.00 55.73 55.54 2qtc s ARG 465 Cb -0.00 0.06 0.01 0.00 -1.56 0.00 0.00 34.95 33.46 2qtc s ARG 465 CO -0.05 -0.02 0.20 -1.14 -0.81 0.00 0.00 175.30 173.47 2qtc s GLN 466 N -0.07 3.16 0.41 5.12 0.74 -1.26 -4.24 119.66 123.51 2qtc s GLN 466 Ca -0.01 -0.86 0.18 0.00 0.05 0.00 0.00 55.36 54.72 2qtc s GLN 466 Cb -0.01 -3.70 0.89 0.00 1.10 0.00 0.00 33.01 31.29 2qtc s GLN 466 CO 0.00 -0.55 1.86 -1.00 -0.55 0.00 0.00 175.29 175.06 2qtc h PRO 467 N 8.43 0.00 -5.80 1.67 0.13 -1.93 -3.41 132.00 131.09 2qtc h PRO 467 Ca -0.29 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.35 2qtc h PRO 467 Cb 1.13 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.07 2qtc h PRO 467 CO 0.65 0.31 -0.79 -0.80 -0.23 0.00 0.00 178.00 177.14 2qtc s ASN 468 N -6.61 2.36 0.35 1.44 0.01 -1.26 -4.86 114.94 106.37 2qtc s ASN 468 Ca -0.02 -0.78 -0.09 0.00 -0.71 0.00 0.00 52.86 51.27 2qtc s ASN 468 Cb 0.13 -0.12 -0.06 0.00 0.41 0.00 0.00 41.25 41.61 2qtc s ASN 468 CO 0.68 -0.04 0.68 0.72 -1.51 0.00 0.00 177.10 177.62 2qtc s PHE 469 N -1.76 3.46 -0.10 2.20 -0.71 -1.26 -4.87 117.98 114.94 2qtc s PHE 469 Ca 0.10 0.90 0.04 0.00 -1.04 0.00 0.00 56.93 56.93 2qtc s PHE 469 Cb -0.07 -2.31 -0.24 0.00 -1.21 0.00 0.00 43.02 39.18 2qtc s PHE 469 CO 0.05 0.03 0.42 0.25 -1.34 0.00 0.00 175.22 174.63 2qtc n THR 470 N -1.04 1.66 -0.98 -4.49 -2.24 -1.26 -4.96 114.28 100.97 2qtc n THR 470 Ca 0.01 -0.73 -0.31 0.00 -2.27 0.00 0.00 64.05 60.75 2qtc n THR 470 Cb 0.54 -1.31 0.13 0.00 -2.10 0.00 0.00 70.33 67.59 2qtc n THR 470 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2qtc s GLU 471 N -2.57 1.62 -0.20 -0.78 -1.05 -1.26 -5.00 118.70 109.46 2qtc s GLU 471 Ca -0.15 1.38 -0.03 0.00 -0.15 0.00 0.00 54.97 56.02 2qtc s GLU 471 Cb 0.07 -1.81 -0.01 0.00 -0.44 0.00 0.00 34.13 31.94 2qtc s GLU 471 CO 0.79 -2.16 -0.06 0.21 0.95 0.00 0.00 175.26 174.99 2qtc s LYS 472 N -4.75 3.42 0.24 -4.83 2.20 -1.26 -5.10 119.74 109.67 2qtc s LYS 472 Ca 0.64 -0.62 -0.13 0.00 -0.36 0.00 0.00 55.97 55.50 2qtc s LYS 472 Cb -0.20 -2.94 -0.08 0.00 -1.51 0.00 0.00 37.83 33.10 2qtc s LYS 472 CO 0.57 -0.07 0.62 -0.51 -0.36 0.00 0.00 175.35 175.60 2qtc s LEU 473 N 1.15 4.19 -0.81 5.43 1.43 -1.26 -5.03 118.68 123.77 2qtc s LEU 473 Ca 0.02 1.10 -0.06 0.00 -1.03 0.00 0.00 54.13 54.16 2qtc s LEU 473 Cb -0.14 -3.71 0.21 0.00 0.03 0.00 0.00 46.19 42.57 2qtc s LEU 473 CO -0.01 -0.07 0.70 -1.61 0.23 0.00 0.00 176.35 175.59 2qtc s GLU 474 N -2.62 3.23 0.53 1.70 0.41 -1.26 -4.98 118.70 115.70 2qtc s GLU 474 Ca 0.47 -2.82 -0.21 0.00 -0.41 0.00 0.00 54.97 52.01 2qtc s GLU 474 Cb -0.12 -4.07 -0.06 0.00 -1.78 0.00 0.00 34.13 28.10 2qtc s GLU 474 CO 0.20 -1.24 1.18 -0.51 -0.49 0.00 0.00 175.26 174.40 2qtc s LEU 475 N -0.53 3.83 0.59 1.80 1.43 -1.26 -4.56 118.68 119.98 2qtc s LEU 475 Ca 0.22 2.32 -0.19 0.00 -1.03 0.00 0.00 54.13 55.44 2qtc s LEU 475 Cb -0.13 -4.44 -0.03 0.00 0.03 0.00 0.00 46.19 41.61 2qtc s LEU 475 CO -0.08 -1.23 1.26 -2.16 0.23 0.00 0.00 176.35 174.37 2qtc s PRO 476 N -3.06 2.93 0.68 1.29 0.04 -1.26 -5.00 135.00 130.61 2qtc s PRO 476 Ca 0.71 1.97 -0.04 0.00 0.04 0.00 0.00 61.00 63.67 2qtc s PRO 476 Cb -0.28 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.34 2qtc s PRO 476 CO 0.33 -1.28 0.97 -1.54 0.04 0.00 0.00 177.00 175.52 2qtc s SER 477 N -1.40 4.75 0.49 6.66 1.04 -1.26 -4.95 113.70 119.03 2qtc s SER 477 Ca 0.77 0.19 0.28 0.00 0.48 0.00 0.00 55.95 57.67 2qtc s SER 477 Cb -0.34 -0.82 1.06 0.00 0.10 0.00 0.00 66.02 66.02 2qtc s SER 477 CO 0.38 -1.59 1.87 0.25 0.98 0.00 0.00 173.24 175.13 2qtc h LEU 478 N -0.48 0.00 -1.17 2.42 5.85 -1.97 -2.12 115.31 117.84 2qtc h LEU 478 Ca -0.42 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.22 2qtc h LEU 478 Cb 1.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 2qtc h LEU 478 CO 0.53 0.10 -0.19 0.06 -0.34 0.00 0.00 178.44 178.60 2qtc h GLN 479 N 0.00 0.35 0.00 1.25 3.07 -2.00 -2.25 115.11 115.53 2qtc h GLN 479 Ca -0.00 -0.10 0.00 0.00 0.09 0.00 0.00 58.65 58.64 2qtc h GLN 479 Cb 0.67 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.20 2qtc h GLN 479 CO 0.01 0.53 0.00 -0.44 0.09 0.00 0.00 178.83 179.02 2qtc h ASP 480 N 0.32 0.00 -0.60 0.06 3.32 -1.75 -0.15 116.42 117.63 2qtc h ASP 480 Ca 0.06 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.85 2qtc h ASP 480 Cb 0.52 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.92 2qtc h ASP 480 CO 0.03 0.00 0.20 0.49 -1.72 0.00 0.00 179.24 178.25 2qtc n PHE 481 N -2.30 1.90 -0.36 4.55 3.72 -0.84 -4.73 117.46 119.39 2qtc n PHE 481 Ca 0.00 -1.48 0.06 0.00 -0.05 0.00 0.00 57.45 55.98 2qtc n PHE 481 Cb 0.13 -0.63 0.21 0.00 -0.94 0.00 0.00 39.48 38.25 2qtc n PHE 481 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2qtc h GLY 482 N 1.48 1.59 1.41 1.37 0.00 -1.10 -2.24 103.07 105.58 2qtc h GLY 482 Ca 0.31 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2qtc h GLY 482 CO 0.63 0.21 0.37 0.00 0.00 0.00 0.00 176.54 177.75 2qtc h ALA 483 N 1.51 1.54 0.00 3.60 0.00 -1.85 -1.53 119.26 122.53 2qtc h ALA 483 Ca 0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 2qtc h ALA 483 Cb 0.39 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qtc h ALA 483 CO -0.24 0.41 -0.09 -0.07 0.00 0.00 0.00 179.25 179.26 2qtc h LEU 484 N 0.80 0.00 0.00 0.00 3.38 -1.78 -2.78 115.31 114.93 2qtc h LEU 484 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2qtc h LEU 484 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2qtc h LEU 484 CO -0.04 0.09 -0.17 0.18 0.09 0.00 0.00 178.44 178.59 2qtc n LEU 485 N -3.19 0.55 -4.94 1.67 4.77 -0.59 -3.02 117.00 112.26 2qtc n LEU 485 Ca 0.01 0.43 -0.25 0.00 -0.03 0.00 0.00 56.01 56.18 2qtc n LEU 485 Cb 0.39 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2qtc n LEU 485 CO 0.31 -0.08 0.45 -1.61 -1.33 0.00 0.00 177.39 175.13 2qtc s GLU 486 N -3.08 2.77 0.31 3.23 2.02 -1.05 -1.21 118.70 121.69 2qtc s GLU 486 Ca 0.11 -0.31 -0.29 0.00 0.02 0.00 0.00 54.97 54.49 2qtc s GLU 486 Cb 0.15 -2.37 -0.11 0.00 0.10 0.00 0.00 34.13 31.90 2qtc s GLU 486 CO 0.61 -0.68 1.45 -2.00 0.02 0.00 0.00 175.26 174.66 2qtc s GLU 487 N -4.88 4.22 -0.00 1.61 2.12 -1.26 -4.43 118.70 116.08 2qtc s GLU 487 Ca 0.54 2.41 -0.19 0.00 0.36 0.00 0.00 54.97 58.09 2qtc s GLU 487 Cb -0.10 -3.05 -0.06 0.00 0.26 0.00 0.00 34.13 31.19 2qtc s GLU 487 CO 0.42 -0.43 0.54 -0.65 -0.54 0.00 0.00 175.26 174.59 2qtc s GLN 488 N -1.21 4.22 -0.02 4.30 -1.52 0.14 -4.90 119.66 120.66 2qtc s GLN 488 Ca 0.56 0.63 -0.25 0.00 -1.95 0.00 0.00 55.36 54.34 2qtc s GLN 488 Cb -0.44 -3.31 -0.20 0.00 -0.22 0.00 0.00 33.01 28.84 2qtc s GLN 488 CO 0.52 0.46 1.24 1.03 -0.25 0.00 0.00 175.29 178.28 2qtc h SER 489 N 5.38 0.05 -3.76 5.90 0.87 -1.93 -3.42 113.55 116.63 2qtc h SER 489 Ca -0.47 -0.53 -0.49 0.00 -1.23 0.00 0.00 61.79 59.08 2qtc h SER 489 Cb 1.20 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.13 2qtc h SER 489 CO 0.68 0.57 0.13 -0.75 -0.53 0.00 0.00 176.83 176.92 2qtc s LYS 490 N -4.09 4.03 -0.03 2.24 2.20 -1.26 -5.04 119.74 117.79 2qtc s LYS 490 Ca -0.16 0.73 -0.29 0.00 -0.36 0.00 0.00 55.97 55.88 2qtc s LYS 490 Cb 0.02 -2.41 -0.03 0.00 -1.51 0.00 0.00 37.83 33.90 2qtc s LYS 490 CO 0.69 0.14 0.97 -1.21 -0.36 0.00 0.00 175.35 175.58 2qtc s GLU 491 N -2.98 4.51 0.36 4.03 2.02 -1.26 -4.70 118.70 120.69 2qtc s GLU 491 Ca 0.55 1.38 0.06 0.00 0.02 0.00 0.00 54.97 56.98 2qtc s GLU 491 Cb -0.10 -3.48 -0.02 0.00 0.10 0.00 0.00 34.13 30.62 2qtc s GLU 491 CO 0.17 -0.12 0.23 0.44 0.02 0.00 0.00 175.26 176.00 2qtc n ILE 492 N 4.09 0.00 -4.26 -1.63 -5.35 -1.08 -4.62 119.36 106.51 2qtc n ILE 492 Ca 0.06 -2.43 -0.26 0.00 -0.27 0.00 0.00 62.75 59.85 2qtc n ILE 492 Cb 0.50 1.08 -0.07 0.00 -1.74 0.00 0.00 39.64 39.42 2qtc n ILE 492 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2qtc s SER 493 N -3.41 4.32 0.45 7.28 1.04 -1.26 -1.43 113.70 120.69 2qtc s SER 493 Ca 0.33 -1.22 0.30 0.00 0.48 0.00 0.00 55.95 55.84 2qtc s SER 493 Cb 0.02 -0.24 1.15 0.00 0.10 0.00 0.00 66.02 67.05 2qtc s SER 493 CO 0.23 -0.63 1.87 0.71 0.98 0.00 0.00 173.24 176.40 2qtc h THR 494 N 1.40 0.00 0.01 2.02 1.35 -1.81 -1.51 112.91 114.37 2qtc h THR 494 Ca -0.42 -0.49 -0.26 0.00 -0.55 0.00 0.00 66.41 64.69 2qtc h THR 494 Cb 1.26 1.42 0.02 0.00 -1.73 0.00 0.00 68.15 69.12 2qtc h THR 494 CO 0.71 0.00 -1.05 0.74 -0.25 0.00 0.00 175.52 175.67 2qtc h THR 495 N 0.00 1.31 -0.46 6.82 2.02 -1.86 -1.63 112.91 119.11 2qtc h THR 495 Ca 0.00 -2.33 -0.07 0.00 0.77 0.00 0.00 66.41 64.78 2qtc h THR 495 Cb 0.53 2.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 2qtc h THR 495 CO 0.00 0.71 0.01 0.40 0.37 0.00 0.00 175.52 177.01 2qtc h ILE 496 N 0.34 1.23 -0.34 3.11 2.04 -1.73 -1.49 117.51 120.69 2qtc h ILE 496 Ca -0.12 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 64.79 2qtc h ILE 496 Cb 1.70 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 2qtc h ILE 496 CO 0.20 0.34 0.22 0.00 0.00 0.00 0.00 178.15 178.90 2qtc h ALA 497 N 1.31 0.42 -0.53 1.87 0.00 -1.17 -0.85 119.26 120.32 2qtc h ALA 497 Ca 0.14 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2qtc h ALA 497 Cb 0.42 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2qtc h ALA 497 CO 0.02 -0.12 0.30 0.35 0.00 0.00 0.00 179.25 179.79 2qtc h PHE 498 N 0.44 0.55 -0.50 0.00 3.57 -0.79 0.49 116.94 120.70 2qtc h PHE 498 Ca 0.12 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 2qtc h PHE 498 Cb -0.04 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 2qtc h PHE 498 CO -0.06 0.29 -0.01 0.28 -2.23 0.00 0.00 178.31 176.59 2qtc h VAL 499 N 0.58 1.25 -0.34 1.41 2.07 -0.86 -0.13 116.25 120.24 2qtc h VAL 499 Ca 0.22 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.59 2qtc h VAL 499 Cb 0.08 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2qtc h VAL 499 CO -0.12 0.37 -0.20 0.03 0.02 0.00 0.00 177.57 177.67 2qtc h ARG 500 N 0.79 0.64 -0.43 1.57 3.08 -0.81 -0.96 114.38 118.26 2qtc h ARG 500 Ca 0.15 -0.23 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 2qtc h ARG 500 Cb 0.49 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2qtc h ARG 500 CO 0.02 0.80 -0.25 0.00 -1.07 0.00 0.00 179.97 179.47 2qtc h ALA 501 N 1.21 0.75 -0.29 0.04 0.00 -0.40 -1.57 119.26 119.00 2qtc h ALA 501 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2qtc h ALA 501 Cb 0.66 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2qtc h ALA 501 CO 0.05 0.66 0.19 1.25 0.00 0.00 0.00 179.25 181.40 2qtc h LEU 502 N 0.76 0.34 -1.21 0.00 5.85 -0.66 -1.38 115.31 119.00 2qtc h LEU 502 Ca 0.09 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.89 2qtc h LEU 502 Cb 0.81 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 2qtc h LEU 502 CO 0.07 0.26 0.57 0.78 -0.34 0.00 0.00 178.44 179.78 2qtc h ASN 503 N 0.39 0.78 -0.19 1.25 2.35 -0.68 0.26 115.58 119.74 2qtc h ASN 503 Ca 0.11 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 2qtc h ASN 503 Cb -0.03 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 2qtc h ASN 503 CO -0.02 0.45 0.10 0.58 -1.65 0.00 0.00 177.43 176.89 2qtc h VAL 504 N 0.85 1.11 -0.68 2.81 2.07 -0.66 -2.37 116.25 119.39 2qtc h VAL 504 Ca 0.42 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.63 2qtc h VAL 504 Cb 0.45 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2qtc h VAL 504 CO -0.18 0.11 0.45 0.24 0.02 0.00 0.00 177.57 178.21 2qtc h MET 505 N 0.20 0.88 0.00 1.57 2.86 0.17 -1.32 114.93 119.28 2qtc h MET 505 Ca 0.07 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2qtc h MET 505 Cb 0.08 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.55 2qtc h MET 505 CO -0.01 0.58 0.00 1.28 1.06 0.00 0.00 176.91 179.82 2qtc n LEU 506 N -4.44 0.00 -0.89 1.22 4.77 0.69 -1.35 117.00 117.00 2qtc n LEU 506 Ca 0.07 0.44 0.10 0.00 -0.03 0.00 0.00 56.01 56.59 2qtc n LEU 506 Cb 0.05 -0.44 0.14 0.00 -2.33 0.00 0.00 43.42 40.84 2qtc n LEU 506 CO 0.36 -0.28 0.61 0.29 -1.33 0.00 0.00 177.39 177.04 2qtc n LYS 507 N -1.44 2.05 -3.04 3.23 4.76 -0.50 -4.77 118.16 118.44 2qtc n LYS 507 Ca 0.03 -1.92 -0.41 0.00 -2.87 0.00 0.00 58.31 53.15 2qtc n LYS 507 Cb 0.11 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 31.84 2qtc n LYS 507 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2qtc s ASN 508 N -1.42 6.65 0.23 4.39 3.84 -0.46 -4.95 114.94 123.21 2qtc s ASN 508 Ca 0.28 0.79 -0.07 0.00 0.21 0.00 0.00 52.86 54.08 2qtc s ASN 508 Cb 0.18 -2.37 0.36 0.00 -0.55 0.00 0.00 41.25 38.87 2qtc s ASN 508 CO 0.25 -0.42 1.74 0.11 -2.79 0.00 0.00 177.10 175.99 2qtc h LYS 509 N 7.85 0.43 -0.30 0.43 6.56 -1.90 0.37 116.57 130.01 2qtc h LYS 509 Ca -0.26 -0.03 -0.11 0.00 -1.06 0.00 0.00 60.65 59.20 2qtc h LYS 509 Cb 1.11 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 32.66 2qtc h LYS 509 CO 0.81 0.29 -0.26 1.03 -2.06 0.00 0.00 179.45 179.26 2qtc h SER 510 N 0.45 0.61 -0.00 0.86 0.87 -1.93 -3.37 113.55 111.04 2qtc h SER 510 Ca 0.36 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2qtc h SER 510 Cb 0.48 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2qtc h SER 510 CO -0.35 0.85 -0.09 2.30 -0.53 0.00 0.00 176.83 179.01 2qtc n ILE 511 N -4.11 0.00 -0.31 2.23 -5.35 -1.12 -4.80 119.36 105.91 2qtc n ILE 511 Ca -0.00 -0.45 0.14 0.00 -0.27 0.00 0.00 62.75 62.16 2qtc n ILE 511 Cb 0.43 1.01 0.32 0.00 -1.74 0.00 0.00 39.64 39.66 2qtc n ILE 511 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 2qtc h LYS 512 N 0.10 0.38 -0.14 6.28 2.10 -1.06 0.19 116.57 124.42 2qtc h LYS 512 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2qtc h LYS 512 Cb 0.07 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 2qtc h LYS 512 CO 0.00 0.25 0.00 -0.25 -2.00 0.00 0.00 179.45 177.45 2qtc n ASP 513 N -5.05 1.93 0.01 7.07 8.00 -1.26 -3.57 116.55 123.67 2qtc n ASP 513 Ca 0.23 -1.71 0.11 0.00 0.71 0.00 0.00 54.79 54.13 2qtc n ASP 513 Cb 0.67 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 2qtc n ASP 513 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qtc n ARG 514 N 0.49 0.17 -2.38 -1.24 5.12 0.63 -4.93 116.66 114.52 2qtc n ARG 514 Ca 0.17 -0.02 -0.40 0.00 -1.93 0.00 0.00 57.85 55.67 2qtc n ARG 514 Cb 0.39 -1.54 -0.04 0.00 -1.16 0.00 0.00 32.46 30.12 2qtc n ARG 514 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2qtc s LEU 515 N -3.48 4.51 -0.50 0.55 1.43 -0.98 -0.48 118.68 119.73 2qtc s LEU 515 Ca 0.05 2.37 0.03 0.00 -1.03 0.00 0.00 54.13 55.56 2qtc s LEU 515 Cb 0.15 -3.65 0.15 0.00 0.03 0.00 0.00 46.19 42.87 2qtc s LEU 515 CO 0.82 -0.26 0.31 -0.69 0.23 0.00 0.00 176.35 176.77 2qtc s VAL 516 N -1.17 1.65 0.14 -1.59 1.01 0.05 -4.85 120.40 115.63 2qtc s VAL 516 Ca 0.46 -3.02 -0.31 0.00 0.00 0.00 0.00 61.98 59.12 2qtc s VAL 516 Cb -0.34 -2.13 -0.08 0.00 0.00 0.00 0.00 36.38 33.84 2qtc s VAL 516 CO 0.44 -0.97 1.32 -2.84 0.00 0.00 0.00 175.10 173.05 2qtc s PRO 517 N -0.15 4.37 -0.05 2.72 0.02 -1.26 -1.48 135.00 139.16 2qtc s PRO 517 Ca 0.22 2.01 0.03 0.00 0.02 0.00 0.00 61.00 63.27 2qtc s PRO 517 Cb -0.15 -3.25 0.01 0.00 0.02 0.00 0.00 34.50 31.13 2qtc s PRO 517 CO -0.07 -0.33 -0.12 0.42 -0.33 0.00 0.00 177.00 176.57 2qtc s ILE 518 N 0.73 1.08 0.09 2.83 1.01 -0.26 -1.23 121.20 125.45 2qtc s ILE 518 Ca 0.61 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.82 2qtc s ILE 518 Cb -0.35 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 2qtc s ILE 518 CO 0.33 0.34 -0.12 -0.63 0.00 0.00 0.00 174.94 174.85 2qtc s ILE 519 N 0.44 1.03 -0.83 2.92 1.09 -0.47 -2.28 121.20 123.11 2qtc s ILE 519 Ca -0.10 -1.49 0.01 0.00 -1.10 0.00 0.00 60.65 57.97 2qtc s ILE 519 Cb -0.13 -1.23 0.21 0.00 -1.06 0.00 0.00 42.46 40.25 2qtc s ILE 519 CO 0.02 -0.40 0.72 0.00 -0.10 0.00 0.00 174.94 175.18 2qtc n ALA 520 N 0.88 3.74 -0.00 9.38 0.00 -1.26 -0.83 120.51 132.42 2qtc n ALA 520 Ca -0.18 -4.60 0.00 0.00 0.00 0.00 0.00 53.44 48.66 2qtc n ALA 520 Cb 0.56 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2qtc n ALA 520 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qtc n ASP 521 N 2.07 0.00 -4.64 0.00 2.03 -0.88 -4.55 116.55 110.57 2qtc n ASP 521 Ca 0.22 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.10 2qtc n ASP 521 Cb 0.36 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.74 2qtc n ASP 521 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2qtc s GLU 522 N 0.00 3.84 0.00 -0.67 0.41 -1.26 -4.76 118.70 116.26 2qtc s GLU 522 Ca 0.00 2.28 0.00 0.00 -0.41 0.00 0.00 54.97 56.84 2qtc s GLU 522 Cb 0.00 -4.18 0.00 0.00 -1.78 0.00 0.00 34.13 28.17 2qtc s GLU 522 CO 0.00 -1.28 0.00 0.00 -0.49 0.00 0.00 175.26 173.49 2qtc n ALA 523 N 8.67 2.58 -0.06 5.21 0.00 -1.26 -4.72 120.51 130.93 2qtc n ALA 523 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.75 2qtc n ALA 523 Cb 0.43 0.36 0.46 0.00 0.00 0.00 0.00 19.45 20.70 2qtc n ALA 523 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2qtc h ARG 524 N 0.00 0.47 0.00 0.00 2.43 -1.94 0.92 114.38 116.26 2qtc h ARG 524 Ca 0.00 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 2qtc h ARG 524 Cb 0.72 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 2qtc h ARG 524 CO 0.00 0.31 -0.29 1.15 -1.51 0.00 0.00 179.97 179.64 2qtc h THR 525 N 0.49 1.06 -0.58 0.20 2.02 -1.96 -2.91 112.91 111.22 2qtc h THR 525 Ca 0.24 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.38 2qtc h THR 525 Cb 0.31 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2qtc h THR 525 CO -0.06 0.28 0.00 0.49 0.37 0.00 0.00 175.52 176.60 2qtc n PHE 526 N -3.98 0.95 -2.60 3.16 3.72 0.22 -4.95 117.46 113.98 2qtc n PHE 526 Ca -0.02 -0.55 -0.21 0.00 -0.05 0.00 0.00 57.45 56.62 2qtc n PHE 526 Cb 0.35 -0.08 0.01 0.00 -0.94 0.00 0.00 39.48 38.82 2qtc n PHE 526 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qtc n GLY 527 N 1.10 -0.50 0.10 1.37 0.00 -0.79 -4.85 105.19 101.62 2qtc n GLY 527 Ca 0.21 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.39 2qtc n GLY 527 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2qtc h MET 528 N -0.46 0.00 -1.00 1.61 2.86 -1.55 -3.39 114.93 113.00 2qtc h MET 528 Ca -0.51 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 57.39 2qtc h MET 528 Cb 1.37 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.95 2qtc h MET 528 CO 0.58 0.00 0.67 1.05 1.06 0.00 0.00 176.91 180.27 2qtc h GLU 529 N 0.00 0.30 0.00 1.72 9.09 -1.90 -0.30 114.58 123.49 2qtc h GLU 529 Ca 0.00 -0.02 -0.00 0.00 0.05 0.00 0.00 59.36 59.39 2qtc h GLU 529 Cb 0.85 -0.07 -0.00 0.00 -1.65 0.00 0.00 28.75 27.88 2qtc h GLU 529 CO 0.00 0.20 -0.01 0.78 0.05 0.00 0.00 179.01 180.02 2qtc h GLY 530 N 0.31 0.00 2.00 1.06 0.00 -1.97 -2.49 103.07 101.98 2qtc h GLY 530 Ca 0.54 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.73 2qtc h GLY 530 CO -0.19 0.00 -0.62 1.41 0.00 0.00 0.00 176.54 177.13 2qtc h LEU 531 N 0.00 0.00 -0.83 3.11 3.38 -1.36 -3.29 115.31 116.32 2qtc h LEU 531 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qtc h LEU 531 Cb 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2qtc h LEU 531 CO 0.00 0.62 0.51 -0.26 0.09 0.00 0.00 178.44 179.41 2qtc h PHE 532 N 0.00 1.08 -0.71 1.13 0.04 -1.55 -0.12 116.94 116.81 2qtc h PHE 532 Ca -0.01 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 2qtc h PHE 532 Cb 1.31 -0.36 -0.03 0.00 2.20 0.00 0.00 35.95 39.07 2qtc h PHE 532 CO 0.00 0.71 0.42 0.00 -0.60 0.00 0.00 178.31 178.84 2qtc h ARG 533 N 1.13 0.98 0.32 1.51 3.08 -1.70 0.30 114.38 120.00 2qtc h ARG 533 Ca 0.30 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2qtc h ARG 533 Cb -0.07 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.79 2qtc h ARG 533 CO -0.06 0.71 -0.16 1.96 -1.07 0.00 0.00 179.97 181.35 2qtc h GLN 534 N 0.98 -0.42 0.00 0.04 4.20 -1.40 -3.40 115.11 115.11 2qtc h GLN 534 Ca 0.25 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.99 2qtc h GLN 534 Cb -0.01 0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2qtc h GLN 534 CO -0.05 -0.12 0.00 0.44 -0.67 0.00 0.00 178.83 178.43 2qtc n ILE 535 N -5.16 0.00 -0.72 2.54 -5.35 -0.14 -5.11 119.36 105.42 2qtc n ILE 535 Ca -0.10 -0.49 0.09 0.00 -0.27 0.00 0.00 62.75 61.99 2qtc n ILE 535 Cb 0.26 1.01 -0.03 0.00 -1.74 0.00 0.00 39.64 39.14 2qtc n ILE 535 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qtc n GLY 536 N 0.48 -2.25 3.53 3.28 0.00 0.11 -1.64 105.19 108.70 2qtc n GLY 536 Ca 0.00 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 2qtc n GLY 536 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qtc s ILE 537 N -2.57 4.21 -0.05 -0.61 1.01 -1.26 -1.14 121.20 120.79 2qtc s ILE 537 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 2qtc s ILE 537 Cb 0.00 -2.88 -0.07 0.00 0.01 0.00 0.00 42.46 39.52 2qtc s ILE 537 CO 0.00 0.47 1.94 -0.47 0.00 0.00 0.00 174.94 176.87 2qtc s TYR 538 N 0.49 1.43 -0.44 3.97 5.04 0.81 -2.67 117.35 125.98 2qtc s TYR 538 Ca -0.01 -0.09 0.06 0.00 -2.44 0.00 0.00 57.07 54.59 2qtc s TYR 538 Cb -0.14 -4.11 0.18 0.00 0.35 0.00 0.00 41.96 38.24 2qtc s TYR 538 CO 0.02 -4.80 0.55 0.45 -1.34 0.00 0.00 175.55 170.43 2qtc s SER 539 N 4.98 -0.27 -0.29 4.32 0.15 -0.01 -4.70 113.70 117.88 2qtc s SER 539 Ca 0.87 -1.82 -0.04 0.00 0.70 0.00 0.00 55.95 55.66 2qtc s SER 539 Cb -0.38 1.12 -0.12 0.00 -1.71 0.00 0.00 66.02 64.93 2qtc s SER 539 CO 0.37 -0.14 2.20 -2.65 1.20 0.00 0.00 173.24 174.22 2qtc n PRO 540 N 3.47 1.42 0.00 5.44 -0.02 -1.26 -3.14 135.00 140.90 2qtc n PRO 540 Ca 0.18 -0.85 0.00 0.00 -2.02 0.00 0.00 63.50 60.81 2qtc n PRO 540 Cb 0.52 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2qtc n PRO 540 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2qtc n GLU 558 N 3.20 0.00 -3.05 -0.52 2.13 -1.26 -4.85 120.64 116.29 2qtc n GLU 558 Ca 0.30 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 58.03 2qtc n GLU 558 Cb 0.39 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.08 2qtc n GLU 558 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2qtc n ASP 559 N 0.00 -0.79 0.00 4.31 5.68 -1.09 -4.99 116.55 119.66 2qtc n ASP 559 Ca 0.00 -2.16 0.09 0.00 -0.50 0.00 0.00 54.79 52.22 2qtc n ASP 559 Cb 0.00 1.49 0.52 0.00 -1.14 0.00 0.00 41.12 42.00 2qtc n ASP 559 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2qtc n GLU 560 N -0.35 0.65 0.00 0.11 -0.00 -1.19 -0.83 120.64 119.03 2qtc n GLU 560 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 57.16 57.27 2qtc n GLU 560 Cb 0.36 -1.43 -0.05 0.00 -0.00 0.00 0.00 31.44 30.32 2qtc n GLU 560 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2qtc n LYS 561 N -0.93 0.88 -1.71 3.44 3.00 -1.26 -3.99 118.16 117.59 2qtc n LYS 561 Ca 0.13 -0.58 -0.43 0.00 -0.00 0.00 0.00 58.31 57.43 2qtc n LYS 561 Cb 0.06 -1.45 -0.01 0.00 0.00 0.00 0.00 35.03 33.62 2qtc n LYS 561 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qtc n GLY 562 N 1.42 0.88 0.10 3.14 0.00 -0.37 -4.91 105.19 105.45 2qtc n GLY 562 Ca 0.07 0.40 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 2qtc n GLY 562 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2qtc h GLN 563 N 3.56 0.11 -6.51 1.61 4.15 -0.84 -3.19 115.11 114.00 2qtc h GLN 563 Ca -0.47 -0.18 -0.52 0.00 0.77 0.00 0.00 58.65 58.25 2qtc h GLN 563 Cb 1.26 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 29.00 2qtc h GLN 563 CO 0.70 0.80 0.34 0.42 -1.93 0.00 0.00 178.83 179.16 2qtc s ILE 564 N -2.60 4.59 -0.33 2.39 1.01 -0.30 -4.45 121.20 121.52 2qtc s ILE 564 Ca -0.09 2.02 -0.18 0.00 0.00 0.00 0.00 60.65 62.40 2qtc s ILE 564 Cb 0.08 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 2qtc s ILE 564 CO 0.82 0.29 0.49 -0.76 0.00 0.00 0.00 174.94 175.78 2qtc s LEU 565 N 0.18 4.29 -0.44 2.97 1.43 -0.37 -0.13 118.68 126.61 2qtc s LEU 565 Ca 0.47 0.06 -0.11 0.00 -1.03 0.00 0.00 54.13 53.52 2qtc s LEU 565 Cb -0.23 -2.56 0.08 0.00 0.03 0.00 0.00 46.19 43.52 2qtc s LEU 565 CO 0.29 -0.42 0.31 -1.58 0.23 0.00 0.00 176.35 175.18 2qtc s GLN 566 N 2.33 2.68 0.00 1.70 2.00 -1.26 -1.37 119.66 125.74 2qtc s GLN 566 Ca 0.18 -1.49 0.20 0.00 -2.00 0.00 0.00 55.36 52.25 2qtc s GLN 566 Cb -0.16 -3.90 0.55 0.00 0.80 0.00 0.00 33.01 30.31 2qtc s GLN 566 CO 0.12 -1.02 1.45 0.39 -0.50 0.00 0.00 175.29 175.73 2qtc n GLU 567 N 4.99 2.10 0.00 1.67 -0.58 -0.01 -4.94 120.64 123.87 2qtc n GLU 567 Ca -0.10 -1.68 0.00 0.00 -0.42 0.00 0.00 57.16 54.96 2qtc n GLU 567 Cb 0.43 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 2qtc n GLU 567 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qtc n GLY 568 N 1.30 -0.65 3.51 0.62 0.00 -1.26 -4.21 105.19 104.51 2qtc n GLY 568 Ca 0.17 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 2qtc n GLY 568 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qtc s ILE 569 N 0.00 4.52 -0.46 -0.61 1.01 -1.26 -2.08 121.20 122.32 2qtc s ILE 569 Ca 0.00 -1.95 0.04 0.00 0.00 0.00 0.00 60.65 58.74 2qtc s ILE 569 Cb 0.00 -5.00 0.19 0.00 0.01 0.00 0.00 42.46 37.66 2qtc s ILE 569 CO 0.00 -1.78 0.80 0.21 0.00 0.00 0.00 174.94 174.17 2qtc s ASN 570 N 3.74 -1.19 0.36 3.58 3.84 -1.26 -5.01 114.94 118.99 2qtc s ASN 570 Ca 0.45 -1.28 0.10 0.00 0.21 0.00 0.00 52.86 52.34 2qtc s ASN 570 Cb -0.01 1.56 0.70 0.00 -0.55 0.00 0.00 41.25 42.95 2qtc s ASN 570 CO -0.00 -0.06 1.84 -0.33 -2.79 0.00 0.00 177.10 175.76 2qtc h GLU 571 N 5.14 0.17 -0.34 0.43 3.07 -1.92 -1.20 114.58 119.92 2qtc h GLU 571 Ca 0.04 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.72 2qtc h GLU 571 Cb 1.14 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 2qtc h GLU 571 CO -0.00 0.42 -0.31 1.25 -1.40 0.00 0.00 179.01 178.97 2qtc h LEU 572 N 0.15 0.86 -0.22 1.33 5.85 -1.93 -0.23 115.31 121.12 2qtc h LEU 572 Ca 0.02 -0.46 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 2qtc h LEU 572 Cb 0.55 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2qtc h LEU 572 CO 0.04 1.14 0.11 1.23 -0.34 0.00 0.00 178.44 180.62 2qtc h GLY 573 N 0.60 0.33 0.62 3.75 0.00 -1.88 0.15 103.07 106.63 2qtc h GLY 573 Ca 0.06 -0.16 0.06 0.00 0.00 0.00 0.00 47.33 47.29 2qtc h GLY 573 CO 0.08 0.15 0.19 0.00 0.00 0.00 0.00 176.54 176.96 2qtc h ALA 574 N 0.99 0.59 -0.91 3.60 0.00 -1.12 -0.04 119.26 122.36 2qtc h ALA 574 Ca 0.08 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2qtc h ALA 574 Cb 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2qtc h ALA 574 CO -0.01 -0.19 0.60 0.78 0.00 0.00 0.00 179.25 180.43 2qtc h GLY 575 N 0.38 1.28 1.53 0.00 0.00 -0.59 0.18 103.07 105.86 2qtc h GLY 575 Ca 0.22 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 2qtc h GLY 575 CO -0.20 0.47 -0.16 0.00 0.00 0.00 0.00 176.54 176.65 2qtc h SER 577 N 0.51 0.77 -0.93 0.00 0.02 -0.07 -0.71 113.55 113.14 2qtc h SER 577 Ca 0.09 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 60.66 2qtc h SER 577 Cb 0.58 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 2qtc h SER 577 CO 0.04 0.99 0.61 -0.25 -1.14 0.00 0.00 176.83 177.08 2qtc h TRP 578 N 0.55 1.17 -0.45 3.45 7.01 -0.23 -0.41 115.95 127.06 2qtc h TRP 578 Ca 0.09 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.01 2qtc h TRP 578 Cb 0.68 -0.40 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 2qtc h TRP 578 CO 0.05 0.74 -0.13 1.25 -2.79 0.00 0.00 178.44 177.57 2qtc h LEU 579 N 1.26 0.88 -0.75 0.65 5.85 -0.37 0.33 115.31 123.18 2qtc h LEU 579 Ca 0.34 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2qtc h LEU 579 Cb -0.14 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.61 2qtc h LEU 579 CO -0.07 1.05 0.49 0.00 -0.34 0.00 0.00 178.44 179.56 2qtc h ALA 580 N 0.86 0.96 -0.12 1.25 0.00 -0.59 -1.80 119.26 119.82 2qtc h ALA 580 Ca 0.11 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2qtc h ALA 580 Cb 0.67 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qtc h ALA 580 CO 0.05 0.33 -0.22 0.00 0.00 0.00 0.00 179.25 179.41 2qtc h ALA 581 N 1.29 0.19 0.00 0.00 0.00 -0.81 -2.71 119.26 117.21 2qtc h ALA 581 Ca 0.28 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2qtc h ALA 581 Cb -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2qtc h ALA 581 CO -0.08 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.32 2qtc n ALA 582 N -2.46 1.19 -0.25 0.00 0.00 0.11 -2.26 120.51 116.85 2qtc n ALA 582 Ca -0.07 0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.48 2qtc n ALA 582 Cb 0.42 -1.22 0.03 0.00 0.00 0.00 0.00 19.45 18.68 2qtc n ALA 582 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qtc n THR 583 N -1.93 1.14 0.23 0.00 -2.24 -0.70 -1.78 114.28 108.99 2qtc n THR 583 Ca 0.00 -1.21 0.07 0.00 -2.27 0.00 0.00 64.05 60.64 2qtc n THR 583 Cb 0.07 0.37 0.54 0.00 -2.10 0.00 0.00 70.33 69.20 2qtc n THR 583 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2qtc h SER 584 N 0.00 0.00 -0.50 3.42 0.87 -1.12 -1.26 113.55 114.96 2qtc h SER 584 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2qtc h SER 584 Cb 0.62 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 2qtc h SER 584 CO 0.00 0.21 0.33 0.10 -0.53 0.00 0.00 176.83 176.94 2qtc h TYR 585 N 0.00 0.60 0.00 2.24 -0.00 -1.77 0.03 116.97 118.07 2qtc h TYR 585 Ca -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.73 2qtc h TYR 585 Cb 0.41 -0.20 -0.00 0.00 0.00 0.00 0.00 36.73 36.94 2qtc h TYR 585 CO 0.00 0.37 -0.44 1.03 -0.00 0.00 0.00 178.16 179.13 2qtc h SER 586 N 0.64 0.00 -0.85 0.10 0.87 -1.67 -3.08 113.55 109.56 2qtc h SER 586 Ca 0.19 -0.06 0.11 0.00 -1.23 0.00 0.00 61.79 60.80 2qtc h SER 586 Cb -0.03 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 61.85 2qtc h SER 586 CO -0.04 0.76 0.48 0.74 -0.53 0.00 0.00 176.83 178.24 2qtc h THR 587 N -1.00 0.87 -0.02 2.23 2.02 -1.22 -3.14 112.91 112.64 2qtc h THR 587 Ca -0.03 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2qtc h THR 587 Cb 0.46 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2qtc h THR 587 CO -0.02 0.14 0.00 0.59 0.37 0.00 0.00 175.52 176.61 2qtc n ASN 588 N -4.76 1.79 -3.82 4.18 3.02 -0.05 -4.15 115.26 111.47 2qtc n ASN 588 Ca 0.15 -1.71 -0.30 0.00 -0.03 0.00 0.00 54.58 52.69 2qtc n ASN 588 Cb 0.33 -0.02 0.01 0.00 -0.61 0.00 0.00 39.78 39.49 2qtc n ASN 588 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2qtc n ASN 589 N -0.26 -4.55 -3.56 6.41 5.15 -1.05 -4.79 115.26 112.61 2qtc n ASN 589 Ca 0.01 -0.72 -0.29 0.00 -0.60 0.00 0.00 54.58 52.98 2qtc n ASN 589 Cb 0.20 -3.66 -0.14 0.00 -0.53 0.00 0.00 39.78 35.65 2qtc n ASN 589 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2qtc s LEU 590 N -7.13 1.26 0.19 1.20 2.96 -0.94 -4.74 118.68 111.48 2qtc s LEU 590 Ca 0.62 -1.88 -0.31 0.00 -0.22 0.00 0.00 54.13 52.34 2qtc s LEU 590 Cb -0.32 -0.54 -0.10 0.00 0.50 0.00 0.00 46.19 45.73 2qtc s LEU 590 CO 0.77 -0.36 1.57 -2.16 -1.32 0.00 0.00 176.35 174.85 2qtc s PRO 591 N 1.38 4.20 0.00 0.98 0.04 -1.26 -3.16 135.00 137.18 2qtc s PRO 591 Ca 0.14 2.40 0.04 0.00 0.04 0.00 0.00 61.00 63.62 2qtc s PRO 591 Cb -0.20 -3.13 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 2qtc s PRO 591 CO -0.15 -0.61 -0.13 -1.64 0.04 0.00 0.00 177.00 174.52 2qtc s MET 592 N 0.86 1.00 -0.38 4.56 -1.94 -1.26 -4.85 119.30 117.29 2qtc s MET 592 Ca 0.69 -0.53 0.02 0.00 -1.71 0.00 0.00 55.69 54.16 2qtc s MET 592 Cb -0.45 -0.97 0.11 0.00 2.01 0.00 0.00 34.83 35.53 2qtc s MET 592 CO 0.34 0.26 0.11 0.42 -0.01 0.00 0.00 175.02 176.14 2qtc s ILE 593 N -0.44 2.55 0.31 2.53 1.01 0.37 -4.45 121.20 123.07 2qtc s ILE 593 Ca 0.04 -2.39 -0.20 0.00 0.00 0.00 0.00 60.65 58.10 2qtc s ILE 593 Cb -0.06 -2.83 -0.09 0.00 0.01 0.00 0.00 42.46 39.49 2qtc s ILE 593 CO -0.00 -0.64 0.81 -2.16 0.00 0.00 0.00 174.94 172.95 2qtc s PRO 594 N 0.82 4.23 -0.28 2.79 0.04 -1.26 -0.77 135.00 140.57 2qtc s PRO 594 Ca 0.11 0.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.07 2qtc s PRO 594 Cb -0.20 -2.60 0.09 0.00 0.04 0.00 0.00 34.50 31.83 2qtc s PRO 594 CO -0.06 0.22 0.09 -0.06 0.04 0.00 0.00 177.00 177.23 2qtc s PHE 595 N -1.80 1.27 -0.31 0.56 0.40 -0.55 -1.38 117.98 116.17 2qtc s PHE 595 Ca 0.51 -1.37 -0.10 0.00 -0.60 0.00 0.00 56.93 55.37 2qtc s PHE 595 Cb -0.14 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 41.99 2qtc s PHE 595 CO 0.19 -0.82 0.15 -0.47 0.70 0.00 0.00 175.22 174.98 2qtc s TYR 596 N 1.77 3.18 -0.10 0.36 5.04 -0.68 -1.10 117.35 125.82 2qtc s TYR 596 Ca 0.07 -0.50 0.01 0.00 -2.44 0.00 0.00 57.07 54.21 2qtc s TYR 596 Cb -0.17 -2.36 -0.02 0.00 0.35 0.00 0.00 41.96 39.76 2qtc s TYR 596 CO -0.25 -0.43 -0.12 -1.50 -1.34 0.00 0.00 175.55 171.92 2qtc s ILE 597 N 1.63 3.20 0.27 3.14 2.07 -0.96 0.05 121.20 130.59 2qtc s ILE 597 Ca 0.05 -0.64 -0.21 0.00 -1.41 0.00 0.00 60.65 58.45 2qtc s ILE 597 Cb -0.17 -2.31 0.04 0.00 0.13 0.00 0.00 42.46 40.15 2qtc s ILE 597 CO 0.07 0.55 0.81 -0.72 -1.91 0.00 0.00 174.94 173.74 2qtc s TYR 598 N -0.13 -0.08 -0.02 3.50 -0.85 -1.02 -4.32 117.35 114.43 2qtc s TYR 598 Ca -0.01 -0.40 -0.30 0.00 -0.52 0.00 0.00 57.07 55.85 2qtc s TYR 598 Cb -0.14 0.73 -0.07 0.00 0.38 0.00 0.00 41.96 42.86 2qtc s TYR 598 CO 0.03 -1.21 1.88 0.71 -1.52 0.00 0.00 175.55 175.44 2qtc s TYR 599 N -3.25 1.50 0.38 -3.49 1.51 -1.26 -0.53 117.35 112.21 2qtc s TYR 599 Ca 0.13 -0.16 0.17 0.00 -1.01 0.00 0.00 57.07 56.20 2qtc s TYR 599 Cb -0.05 -4.12 1.06 0.00 -0.11 0.00 0.00 41.96 38.74 2qtc s TYR 599 CO 0.07 -4.86 1.76 0.66 -1.11 0.00 0.00 175.55 172.07 2qtc h SER 600 N 10.64 0.50 -0.42 2.29 4.64 -1.23 0.15 113.55 130.12 2qtc h SER 600 Ca -0.45 0.09 0.08 0.00 -0.47 0.00 0.00 61.79 61.04 2qtc h SER 600 Cb 1.22 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 2qtc h SER 600 CO 0.95 0.09 0.29 -0.03 -0.87 0.00 0.00 176.83 177.26 2qtc h MET 601 N 0.44 0.23 -0.88 4.77 1.85 -1.84 -1.39 114.93 118.10 2qtc h MET 601 Ca 0.60 -0.01 -0.19 0.00 -0.61 0.00 0.00 59.70 59.49 2qtc h MET 601 Cb 1.44 -0.05 -0.11 0.00 0.43 0.00 0.00 31.60 33.31 2qtc h MET 601 CO -0.33 0.15 0.24 1.19 -0.40 0.00 0.00 176.91 177.76 2qtc n PHE 602 N -4.47 1.70 0.00 1.39 3.72 0.52 -4.25 117.46 116.07 2qtc n PHE 602 Ca 0.06 -0.97 0.00 0.00 -0.05 0.00 0.00 57.45 56.48 2qtc n PHE 602 Cb 0.32 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.31 2qtc n PHE 602 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qtc n GLY 603 N -0.14 0.58 0.44 1.37 0.00 -0.52 -4.41 105.19 102.50 2qtc n GLY 603 Ca 0.29 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.58 2qtc n GLY 603 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2qtc h PHE 604 N 0.00 0.46 -0.65 1.61 -1.00 -1.84 0.21 116.94 115.72 2qtc h PHE 604 Ca 0.00 0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.75 2qtc h PHE 604 Cb 0.00 -0.13 -0.03 0.00 3.61 0.00 0.00 35.95 39.40 2qtc h PHE 604 CO 0.00 0.04 0.22 0.37 -1.61 0.00 0.00 178.31 177.33 2qtc h GLN 605 N 0.27 0.99 0.03 1.51 4.15 -1.87 0.74 115.11 120.93 2qtc h GLN 605 Ca 0.58 -0.19 -0.35 0.00 0.77 0.00 0.00 58.65 59.46 2qtc h GLN 605 Cb 1.71 -0.16 -0.05 0.00 0.21 0.00 0.00 27.48 29.19 2qtc h GLN 605 CO -0.21 0.84 -2.08 -2.13 -1.93 0.00 0.00 178.83 173.32 2qtc n ARG 606 N -4.28 0.68 -1.00 1.69 3.00 -0.14 -4.46 116.66 112.15 2qtc n ARG 606 Ca 0.05 0.19 0.03 0.00 -0.00 0.00 0.00 57.85 58.13 2qtc n ARG 606 Cb 0.21 -1.66 0.14 0.00 0.00 0.00 0.00 32.46 31.15 2qtc n ARG 606 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2qtc n ILE 607 N -3.14 1.61 -0.12 5.15 -5.35 0.55 -4.86 119.36 113.21 2qtc n ILE 607 Ca -0.30 -2.70 0.15 0.00 -0.27 0.00 0.00 62.75 59.63 2qtc n ILE 607 Cb 1.06 0.08 0.53 0.00 -1.74 0.00 0.00 39.64 39.57 2qtc n ILE 607 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2qtc h GLY 608 N 1.13 0.57 1.47 3.28 0.00 -0.97 -1.11 103.07 107.44 2qtc h GLY 608 Ca -0.04 -0.15 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 2qtc h GLY 608 CO 0.08 0.07 -0.41 -1.80 0.00 0.00 0.00 176.54 174.48 2qtc h ASP 609 N 0.36 0.62 -0.09 0.19 3.58 -1.89 -1.46 116.42 117.72 2qtc h ASP 609 Ca 0.32 -0.28 -0.13 0.00 0.42 0.00 0.00 57.03 57.37 2qtc h ASP 609 Cb 0.77 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 2qtc h ASP 609 CO -0.09 0.95 -0.38 0.25 -2.88 0.00 0.00 179.24 177.09 2qtc h LEU 610 N 0.48 0.64 -0.85 2.28 5.85 -1.63 -2.08 115.31 120.00 2qtc h LEU 610 Ca 0.04 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 2qtc h LEU 610 Cb 0.92 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 2qtc h LEU 610 CO 0.08 0.96 0.19 0.00 -0.34 0.00 0.00 178.44 179.33 2qtc h TRP 612 N 1.00 0.32 -0.06 0.00 2.91 -1.16 -2.19 115.95 116.76 2qtc h TRP 612 Ca 0.22 -0.04 -0.02 0.00 1.13 0.00 0.00 58.89 60.18 2qtc h TRP 612 Cb 0.32 -0.09 -0.01 0.00 -0.51 0.00 0.00 29.16 28.87 2qtc h TRP 612 CO 0.02 0.44 -0.03 0.00 -1.03 0.00 0.00 178.44 177.84 2qtc h ALA 613 N 0.84 1.83 -0.12 2.65 0.00 -0.99 -0.94 119.26 122.52 2qtc h ALA 613 Ca 0.06 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 2qtc h ALA 613 Cb 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2qtc h ALA 613 CO 0.00 0.14 -0.55 0.00 0.00 0.00 0.00 179.25 178.84 2qtc h ALA 614 N 1.88 0.84 -0.51 0.00 0.00 -0.29 0.42 119.26 121.60 2qtc h ALA 614 Ca 0.02 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2qtc h ALA 614 Cb 0.13 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2qtc h ALA 614 CO 0.01 0.69 0.14 0.78 0.00 0.00 0.00 179.25 180.86 2qtc h GLY 615 N 1.28 0.87 1.20 0.00 0.00 -0.57 -1.84 103.07 104.02 2qtc h GLY 615 Ca 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 2qtc h GLY 615 CO 0.09 0.50 0.29 -1.80 0.00 0.00 0.00 176.54 175.62 2qtc h ASP 616 N 0.71 0.93 0.00 0.19 3.58 -0.91 -2.37 116.42 118.55 2qtc h ASP 616 Ca 0.16 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2qtc h ASP 616 Cb 0.31 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2qtc h ASP 616 CO -0.00 0.82 0.00 1.67 -2.88 0.00 0.00 179.24 178.85 2qtc n GLN 617 N -4.31 0.91 -3.55 0.28 7.27 0.10 -1.28 117.38 116.80 2qtc n GLN 617 Ca 0.06 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.91 2qtc n GLN 617 Cb 0.17 -1.33 0.08 0.00 2.41 0.00 0.00 30.24 31.57 2qtc n GLN 617 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2qtc n GLN 618 N -0.83 -7.64 -1.97 3.69 1.13 -0.89 -4.93 117.38 105.94 2qtc n GLN 618 Ca 0.14 0.82 -0.41 0.00 -1.94 0.00 0.00 57.00 55.62 2qtc n GLN 618 Cb 0.07 -5.84 -0.01 0.00 0.11 0.00 0.00 30.24 24.57 2qtc n GLN 618 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qtc s ALA 619 N -3.32 3.54 -0.26 -1.58 0.00 -0.74 -4.85 121.76 114.55 2qtc s ALA 619 Ca 0.48 1.41 0.01 0.00 0.00 0.00 0.00 51.96 53.85 2qtc s ALA 619 Cb -0.21 -3.54 0.07 0.00 0.00 0.00 0.00 23.12 19.44 2qtc s ALA 619 CO 0.72 -0.84 -0.01 1.03 0.00 0.00 0.00 175.76 176.66 2qtc s ARG 620 N -1.81 1.38 0.09 0.00 0.52 -0.74 -3.62 118.95 114.77 2qtc s ARG 620 Ca 0.52 -1.08 -0.16 0.00 -0.52 0.00 0.00 55.73 54.49 2qtc s ARG 620 Cb -0.43 -2.54 0.05 0.00 0.52 0.00 0.00 34.95 32.56 2qtc s ARG 620 CO 0.57 -0.71 0.75 0.41 0.02 0.00 0.00 175.30 176.33 2qtc n GLY 621 N 4.67 0.69 3.25 -3.53 0.00 -1.26 -4.46 105.19 104.56 2qtc n GLY 621 Ca -0.08 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.57 2qtc n GLY 621 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qtc s PHE 622 N -3.08 2.58 -0.23 1.61 0.40 -0.48 -1.14 117.98 117.64 2qtc s PHE 622 Ca 0.17 -0.93 -0.04 0.00 -0.60 0.00 0.00 56.93 55.53 2qtc s PHE 622 Cb -0.02 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 2qtc s PHE 622 CO 0.03 -0.35 -0.02 -0.51 0.70 0.00 0.00 175.22 175.06 2qtc s LEU 623 N 0.24 2.99 -0.36 -0.37 1.43 0.15 -1.69 118.68 121.07 2qtc s LEU 623 Ca -0.15 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.51 2qtc s LEU 623 Cb -0.17 -1.77 0.05 0.00 0.03 0.00 0.00 46.19 44.33 2qtc s LEU 623 CO 0.08 -0.02 0.13 -0.63 0.23 0.00 0.00 176.35 176.14 2qtc s ILE 624 N 1.50 3.81 -0.91 -0.59 -1.09 0.11 -1.39 121.20 122.64 2qtc s ILE 624 Ca 0.06 -1.24 -0.22 0.00 -2.23 0.00 0.00 60.65 57.03 2qtc s ILE 624 Cb -0.14 -3.22 0.08 0.00 -1.58 0.00 0.00 42.46 37.60 2qtc s ILE 624 CO -0.02 -0.26 1.25 -0.83 -1.23 0.00 0.00 174.94 173.84 2qtc s GLY 625 N 1.54 1.50 1.10 6.18 0.00 -0.43 -2.44 107.32 114.77 2qtc s GLY 625 Ca -0.00 -2.32 -0.17 0.00 0.00 0.00 0.00 44.72 42.22 2qtc s GLY 625 CO 0.02 2.34 1.16 -0.32 0.00 0.00 0.00 173.10 176.30 2qtc s GLY 626 N 4.18 1.62 -1.19 0.20 0.00 0.31 -0.92 107.32 111.51 2qtc s GLY 626 Ca 0.37 -0.90 -0.00 0.00 0.00 0.00 0.00 44.72 44.18 2qtc s GLY 626 CO -0.05 -0.10 0.00 -1.30 0.00 0.00 0.00 173.10 171.65 2qtc n THR 627 N -4.37 -0.78 -2.60 0.90 -2.24 -1.06 -0.88 114.28 103.25 2qtc n THR 627 Ca 0.12 -0.39 -0.22 0.00 -2.27 0.00 0.00 64.05 61.29 2qtc n THR 627 Cb 0.59 -0.78 0.04 0.00 -2.10 0.00 0.00 70.33 68.08 2qtc n THR 627 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2qtc s SER 628 N -4.07 5.30 0.00 3.42 1.04 -0.82 -4.56 113.70 114.00 2qtc s SER 628 Ca 0.00 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2qtc s SER 628 Cb -0.00 -1.06 0.00 0.00 0.10 0.00 0.00 66.02 65.06 2qtc s SER 628 CO 0.77 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 174.45 2qtc n GLY 629 N -2.42 0.88 0.19 7.32 0.00 -0.74 -4.40 105.19 106.03 2qtc n GLY 629 Ca 0.07 -1.38 -0.08 0.00 0.00 0.00 0.00 46.02 44.63 2qtc n GLY 629 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qtc h ARG 630 N 0.00 0.59 0.00 1.61 9.65 -0.33 -3.14 114.38 122.76 2qtc h ARG 630 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2qtc h ARG 630 Cb 0.00 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 2qtc h ARG 630 CO 0.00 0.39 -0.55 0.25 2.80 0.00 0.00 179.97 182.87 2qtc n THR 631 N -4.77 0.04 0.06 0.20 -2.24 -1.26 -4.39 114.28 101.92 2qtc n THR 631 Ca 0.01 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.62 2qtc n THR 631 Cb 0.02 0.23 -0.14 0.00 -2.10 0.00 0.00 70.33 68.35 2qtc n THR 631 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2qtc h THR 632 N 0.00 1.32 -2.35 4.28 2.02 -1.77 -3.30 112.91 113.10 2qtc h THR 632 Ca 0.00 -2.98 -0.79 0.00 0.77 0.00 0.00 66.41 63.41 2qtc h THR 632 Cb 0.53 2.79 -0.23 0.00 -1.74 0.00 0.00 68.15 69.50 2qtc h THR 632 CO 0.00 0.84 1.25 -0.11 0.37 0.00 0.00 175.52 177.87 2qtc n LEU 633 N -3.41 6.41 -0.20 2.58 7.94 -1.24 -4.84 117.00 124.24 2qtc n LEU 633 Ca -0.11 -4.96 -0.09 0.00 -1.11 0.00 0.00 56.01 49.74 2qtc n LEU 633 Cb 1.02 -1.38 0.02 0.00 0.53 0.00 0.00 43.42 43.61 2qtc n LEU 633 CO 0.50 1.52 0.87 -0.55 -1.11 0.00 0.00 177.39 178.62 2qtc h ASN 634 N 5.69 0.92 1.38 1.96 -1.07 -1.83 -3.24 115.58 119.39 2qtc h ASN 634 Ca 0.28 -0.26 0.00 0.00 0.07 0.00 0.00 56.30 56.38 2qtc h ASN 634 Cb 0.65 -0.24 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 2qtc h ASN 634 CO 1.42 0.95 -0.07 0.61 0.07 0.00 0.00 177.43 180.41 2qtc n GLY 635 N -0.53 -1.66 0.14 9.14 0.00 -1.24 -2.01 105.19 109.02 2qtc n GLY 635 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 2qtc n GLY 635 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qtc h GLU 636 N 0.00 0.00 0.00 1.61 4.39 -1.88 -3.43 114.58 115.27 2qtc h GLU 636 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2qtc h GLU 636 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2qtc h GLU 636 CO 0.00 0.61 0.00 0.41 -1.16 0.00 0.00 179.01 178.87 2qtc n GLY 637 N 0.38 -1.75 0.27 -3.84 0.00 -1.26 -4.58 105.19 94.41 2qtc n GLY 637 Ca -0.01 -1.54 0.05 0.00 0.00 0.00 0.00 46.02 44.53 2qtc n GLY 637 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qtc h LEU 638 N 0.00 0.19 -1.13 0.99 6.46 -1.84 -0.38 115.31 119.61 2qtc h LEU 638 Ca 0.00 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2qtc h LEU 638 Cb 0.00 0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 2qtc h LEU 638 CO 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 178.44 177.87 2qtc n GLN 639 N -5.06 1.74 -0.02 1.25 6.02 -1.26 -4.23 117.38 115.82 2qtc n GLN 639 Ca 0.14 -1.11 -0.02 0.00 -0.01 0.00 0.00 57.00 56.00 2qtc n GLN 639 Cb 0.43 -1.39 -0.02 0.00 1.02 0.00 0.00 30.24 30.28 2qtc n GLN 639 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2qtc n HIS 640 N 0.34 0.00 -2.17 1.08 8.25 -0.79 -4.93 115.22 117.01 2qtc n HIS 640 Ca 0.16 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.21 2qtc n HIS 640 Cb 0.33 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 2qtc n HIS 640 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2qtc s GLU 641 N -2.07 3.14 -0.48 -0.41 2.02 -0.22 -4.52 118.70 116.16 2qtc s GLU 641 Ca -0.03 0.84 -0.20 0.00 0.02 0.00 0.00 54.97 55.60 2qtc s GLU 641 Cb 0.01 -4.21 0.04 0.00 0.10 0.00 0.00 34.13 30.07 2qtc s GLU 641 CO 0.10 -2.11 0.65 0.34 0.02 0.00 0.00 175.26 174.26 2qtc s ASP 642 N 5.96 6.27 -0.18 -0.19 2.15 -1.25 -4.69 116.67 124.73 2qtc s ASP 642 Ca 0.66 -0.65 0.15 0.00 0.43 0.00 0.00 52.55 53.13 2qtc s ASP 642 Cb -0.15 -2.31 0.38 0.00 -0.30 0.00 0.00 42.92 40.54 2qtc s ASP 642 CO 0.27 -0.87 1.22 0.61 -0.17 0.00 0.00 175.17 176.24 2qtc n GLY 643 N 5.12 4.94 0.00 2.66 0.00 -1.26 -1.66 105.19 114.99 2qtc n GLY 643 Ca -0.04 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2qtc n GLY 643 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2qtc n HIS 644 N -1.22 0.00 0.23 1.61 1.44 -1.26 -0.21 115.22 115.81 2qtc n HIS 644 Ca 0.19 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.99 2qtc n HIS 644 Cb 0.71 0.03 0.65 0.00 0.12 0.00 0.00 29.99 31.51 2qtc n HIS 644 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2qtc h SER 645 N 0.00 0.00 0.72 4.39 4.64 -1.91 0.12 113.55 121.51 2qtc h SER 645 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2qtc h SER 645 Cb 0.52 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.60 2qtc h SER 645 CO 0.00 0.00 -0.16 0.45 -0.87 0.00 0.00 176.83 176.25 2qtc h HIS 646 N 0.00 0.00 0.01 4.77 3.86 -1.97 0.27 115.15 122.10 2qtc h HIS 646 Ca 0.03 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.04 2qtc h HIS 646 Cb 0.11 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 2qtc h HIS 646 CO 0.00 0.16 -0.90 0.82 0.86 0.00 0.00 177.93 178.87 2qtc h ILE 647 N 0.00 1.55 0.04 2.45 1.08 -1.13 -2.05 117.51 119.45 2qtc h ILE 647 Ca -0.00 -2.79 -0.16 0.00 -0.39 0.00 0.00 64.86 61.52 2qtc h ILE 647 Cb 0.56 2.55 0.01 0.00 -3.07 0.00 0.00 36.82 36.87 2qtc h ILE 647 CO 0.02 0.81 -0.66 1.56 -0.69 0.00 0.00 178.15 179.19 2qtc h GLN 648 N 0.06 0.37 0.00 2.37 4.20 -0.93 -3.33 115.11 117.85 2qtc h GLN 648 Ca -0.04 -0.46 -0.05 0.00 0.06 0.00 0.00 58.65 58.16 2qtc h GLN 648 Cb 1.55 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.46 2qtc h GLN 648 CO 0.13 1.14 -0.26 0.66 -0.67 0.00 0.00 178.83 179.83 2qtc h SER 649 N -0.19 0.00 0.57 1.46 4.64 -0.51 -2.41 113.55 117.11 2qtc h SER 649 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2qtc h SER 649 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 2qtc h SER 649 CO 0.13 0.26 0.00 0.00 -0.87 0.00 0.00 176.83 176.35 2qtc n LEU 650 N -3.72 0.15 0.03 5.97 -0.00 -0.77 -2.01 117.00 116.64 2qtc n LEU 650 Ca -0.01 0.54 0.13 0.00 -0.00 0.00 0.00 56.01 56.66 2qtc n LEU 650 Cb 0.37 -0.51 0.53 0.00 -0.00 0.00 0.00 43.42 43.81 2qtc n LEU 650 CO 0.34 -0.31 0.92 0.35 -0.00 0.00 0.00 177.39 178.69 2qtc n THR 651 N -1.66 0.27 -3.35 1.47 -2.24 -0.91 -4.63 114.28 103.24 2qtc n THR 651 Ca 0.03 -0.04 -0.41 0.00 -2.27 0.00 0.00 64.05 61.36 2qtc n THR 651 Cb 0.19 -0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 67.74 2qtc n THR 651 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qtc s ILE 652 N -3.04 5.11 0.25 2.28 1.01 -0.85 -4.97 121.20 121.00 2qtc s ILE 652 Ca 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.76 2qtc s ILE 652 Cb 0.16 -3.90 0.25 0.00 0.01 0.00 0.00 42.46 38.98 2qtc s ILE 652 CO 0.52 -0.19 1.67 -0.65 0.00 0.00 0.00 174.94 176.28 2qtc h PRO 653 N 8.52 0.21 -0.72 2.79 0.11 -1.87 -2.48 132.00 138.56 2qtc h PRO 653 Ca -0.29 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.54 2qtc h PRO 653 Cb 1.13 -0.05 -0.16 0.00 0.11 0.00 0.00 31.00 32.03 2qtc h PRO 653 CO 0.73 0.14 0.31 0.27 -0.21 0.00 0.00 178.00 179.24 2qtc n ASN 654 N -5.21 4.17 -4.60 -2.05 6.94 -1.26 -4.87 115.26 108.37 2qtc n ASN 654 Ca 0.15 -3.39 -0.34 0.00 -0.02 0.00 0.00 54.58 50.98 2qtc n ASN 654 Cb 0.49 -0.74 -0.10 0.00 -2.36 0.00 0.00 39.78 37.07 2qtc n ASN 654 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qtc s ILE 656 N 0.23 4.35 -0.09 0.00 -1.09 0.46 -4.90 121.20 120.17 2qtc s ILE 656 Ca 0.02 -0.30 -0.00 0.00 -2.23 0.00 0.00 60.65 58.13 2qtc s ILE 656 Cb -0.13 -3.11 -0.03 0.00 -1.58 0.00 0.00 42.46 37.61 2qtc s ILE 656 CO 0.01 0.23 -0.05 -0.44 -1.23 0.00 0.00 174.94 173.46 2qtc s SER 657 N 1.60 4.77 0.04 3.58 0.01 -1.26 -0.52 113.70 121.92 2qtc s SER 657 Ca 0.05 -0.01 0.02 0.00 1.31 0.00 0.00 55.95 57.32 2qtc s SER 657 Cb -0.16 -1.33 -0.02 0.00 0.21 0.00 0.00 66.02 64.72 2qtc s SER 657 CO 0.04 0.33 -0.06 -0.31 0.41 0.00 0.00 173.24 173.65 2qtc s TYR 658 N -0.63 0.55 -0.48 2.43 2.02 -0.39 -4.58 117.35 116.27 2qtc s TYR 658 Ca 0.10 -0.51 0.08 0.00 -0.37 0.00 0.00 57.07 56.36 2qtc s TYR 658 Cb -0.12 -0.34 0.26 0.00 -0.40 0.00 0.00 41.96 41.37 2qtc s TYR 658 CO 0.02 -0.12 0.63 -3.47 -1.57 0.00 0.00 175.55 171.04 2qtc n ASP 659 N 1.49 1.61 -4.76 2.29 2.03 0.13 -1.85 116.55 117.49 2qtc n ASP 659 Ca -0.23 -3.01 -0.36 0.00 0.52 0.00 0.00 54.79 51.71 2qtc n ASP 659 Cb 0.55 -0.64 0.02 0.00 -0.72 0.00 0.00 41.12 40.32 2qtc n ASP 659 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2qtc s PRO 660 N -1.82 3.25 -0.14 -0.67 0.04 -1.26 -1.15 135.00 133.24 2qtc s PRO 660 Ca 0.38 1.77 0.11 0.00 0.04 0.00 0.00 61.00 63.30 2qtc s PRO 660 Cb 0.18 -2.06 -0.23 0.00 0.04 0.00 0.00 34.50 32.43 2qtc s PRO 660 CO -0.08 -0.97 0.27 0.00 0.04 0.00 0.00 177.00 176.27 2qtc n ALA 661 N -1.26 1.42 -2.51 8.56 0.00 -1.26 -3.93 120.51 121.54 2qtc n ALA 661 Ca 0.12 -1.02 -0.25 0.00 0.00 0.00 0.00 53.44 52.29 2qtc n ALA 661 Cb 0.49 -0.46 -0.10 0.00 0.00 0.00 0.00 19.45 19.38 2qtc n ALA 661 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2qtc s TYR 662 N -2.54 2.41 0.26 0.00 2.02 -1.26 -4.79 117.35 113.45 2qtc s TYR 662 Ca -0.13 -0.30 -0.05 0.00 -0.37 0.00 0.00 57.07 56.22 2qtc s TYR 662 Cb 0.07 -1.10 0.30 0.00 -0.40 0.00 0.00 41.96 40.83 2qtc s TYR 662 CO 0.79 0.63 1.92 0.00 -1.57 0.00 0.00 175.55 177.32 2qtc h ALA 663 N 2.49 1.28 -0.53 3.71 0.00 -1.89 -2.05 119.26 122.27 2qtc h ALA 663 Ca -0.43 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 2qtc h ALA 663 Cb 1.24 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2qtc h ALA 663 CO 0.57 0.64 -0.01 0.10 0.00 0.00 0.00 179.25 180.54 2qtc h TYR 664 N 1.27 0.99 -0.66 0.00 -0.00 -1.82 -2.38 116.97 114.37 2qtc h TYR 664 Ca 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 58.73 58.91 2qtc h TYR 664 Cb -0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 36.73 36.34 2qtc h TYR 664 CO 0.00 0.90 0.42 0.93 -0.00 0.00 0.00 178.16 180.41 2qtc h GLU 665 N 0.85 0.89 -0.24 0.10 5.08 -1.72 -1.32 114.58 118.22 2qtc h GLU 665 Ca 0.16 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 2qtc h GLU 665 Cb 0.52 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2qtc h GLU 665 CO 0.03 0.61 -0.02 -0.24 -1.00 0.00 0.00 179.01 178.39 2qtc h VAL 666 N 0.90 0.80 -0.70 3.13 3.04 -1.19 0.13 116.25 122.36 2qtc h VAL 666 Ca 0.24 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.91 2qtc h VAL 666 Cb -0.06 0.75 -0.03 0.00 -2.01 0.00 0.00 31.29 29.93 2qtc h VAL 666 CO -0.05 0.01 0.42 0.00 -1.01 0.00 0.00 177.57 176.94 2qtc h ALA 667 N 1.22 0.89 -0.50 3.17 0.00 -0.88 0.33 119.26 123.49 2qtc h ALA 667 Ca 0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2qtc h ALA 667 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2qtc h ALA 667 CO -0.22 0.36 -0.01 0.28 0.00 0.00 0.00 179.25 179.66 2qtc h VAL 668 N 0.95 1.25 -0.14 0.00 2.07 -0.94 -0.50 116.25 118.94 2qtc h VAL 668 Ca 0.25 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 2qtc h VAL 668 Cb -0.04 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2qtc h VAL 668 CO -0.05 0.37 -0.14 0.40 0.02 0.00 0.00 177.57 178.17 2qtc h ILE 669 N 0.78 1.35 -0.50 4.57 2.04 -0.28 -1.73 117.51 123.73 2qtc h ILE 669 Ca 0.15 -1.30 -0.08 0.00 1.00 0.00 0.00 64.86 64.63 2qtc h ILE 669 Cb 0.48 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 2qtc h ILE 669 CO 0.02 0.38 -0.02 0.24 0.00 0.00 0.00 178.15 178.77 2qtc h MET 670 N -0.03 0.86 -0.32 2.37 2.86 -0.83 -0.52 114.93 119.33 2qtc h MET 670 Ca 0.02 -0.25 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 2qtc h MET 670 Cb 0.67 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 2qtc h MET 670 CO 0.03 0.87 0.08 1.25 1.06 0.00 0.00 176.91 180.21 2qtc h HIS 671 N 0.79 0.53 -0.63 -0.22 -0.00 -1.06 -1.40 115.15 113.16 2qtc h HIS 671 Ca 0.15 -0.06 -0.08 0.00 -0.00 0.00 0.00 60.37 60.38 2qtc h HIS 671 Cb 0.51 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.74 2qtc h HIS 671 CO 0.03 0.55 0.10 0.22 -0.00 0.00 0.00 177.93 178.83 2qtc h ASP 672 N 0.36 1.01 -0.72 3.26 3.58 -1.12 -0.76 116.42 122.03 2qtc h ASP 672 Ca 0.10 -0.26 -0.07 0.00 0.42 0.00 0.00 57.03 57.22 2qtc h ASP 672 Cb 0.28 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 2qtc h ASP 672 CO -0.00 1.02 0.18 1.23 -2.88 0.00 0.00 179.24 178.79 2qtc h GLY 673 N 0.96 1.24 0.94 -0.78 0.00 -0.95 0.10 103.07 104.59 2qtc h GLY 673 Ca 0.19 -0.77 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 2qtc h GLY 673 CO 0.01 0.72 0.08 -2.00 0.00 0.00 0.00 176.54 175.35 2qtc h LEU 674 N 1.09 0.17 0.16 3.11 5.85 -0.99 -0.72 115.31 123.98 2qtc h LEU 674 Ca 0.23 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 2qtc h LEU 674 Cb 0.37 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2qtc h LEU 674 CO 0.00 0.19 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.14 2qtc h GLU 675 N 0.13 -0.21 -0.19 1.25 4.81 -0.87 0.11 114.58 119.61 2qtc h GLU 675 Ca 0.05 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2qtc h GLU 675 Cb 0.06 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 2qtc h GLU 675 CO -0.01 -0.06 -0.03 0.00 -0.73 0.00 0.00 179.01 178.18 2qtc h ARG 676 N -0.31 0.02 0.14 1.92 3.08 -0.64 0.31 114.38 118.90 2qtc h ARG 676 Ca -0.02 -0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.74 2qtc h ARG 676 Cb 0.24 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.30 2qtc h ARG 676 CO 0.04 0.01 -1.25 0.52 -1.07 0.00 0.00 179.97 178.22 2qtc h MET 677 N 0.02 0.39 -0.02 0.04 2.86 -1.13 -0.33 114.93 116.76 2qtc h MET 677 Ca 0.09 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 2qtc h MET 677 Cb 0.13 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2qtc h MET 677 CO -0.19 1.27 0.00 0.66 1.06 0.00 0.00 176.91 179.71 2qtc n TYR 678 N -3.63 0.02 -1.67 -0.22 4.01 0.02 -4.26 117.16 111.43 2qtc n TYR 678 Ca -0.10 -0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 2qtc n TYR 678 Cb 1.01 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.02 2qtc n TYR 678 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qtc n GLY 679 N -0.16 0.36 0.26 2.72 0.00 0.11 -4.64 105.19 103.85 2qtc n GLY 679 Ca 0.01 -1.87 0.11 0.00 0.00 0.00 0.00 46.02 44.26 2qtc n GLY 679 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qtc h GLU 680 N 0.00 0.00 -0.46 1.61 5.08 -1.90 -2.67 114.58 116.24 2qtc h GLU 680 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2qtc h GLU 680 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2qtc h GLU 680 CO 0.00 0.08 0.25 -0.22 -1.00 0.00 0.00 179.01 178.12 2qtc h LYS 681 N 0.00 0.63 -6.70 2.33 3.64 -1.80 -3.47 116.57 111.20 2qtc h LYS 681 Ca -0.00 -0.06 -0.54 0.00 -1.27 0.00 0.00 60.65 58.78 2qtc h LYS 681 Cb 0.17 -0.13 -0.07 0.00 -0.41 0.00 0.00 32.23 31.79 2qtc h LYS 681 CO 0.01 0.47 -0.94 1.04 -2.27 0.00 0.00 179.45 177.76 2qtc n GLN 682 N -4.42 -1.79 -2.35 1.90 6.02 -1.01 -4.89 117.38 110.84 2qtc n GLN 682 Ca 0.04 0.26 -0.41 0.00 -0.01 0.00 0.00 57.00 56.88 2qtc n GLN 682 Cb 0.10 -3.85 -0.03 0.00 1.02 0.00 0.00 30.24 27.47 2qtc n GLN 682 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2qtc s GLU 683 N -6.86 4.51 -1.22 -1.09 2.12 -0.15 -4.94 118.70 111.07 2qtc s GLU 683 Ca 0.15 1.92 -0.12 0.00 0.36 0.00 0.00 54.97 57.29 2qtc s GLU 683 Cb -0.07 -3.19 0.18 0.00 0.26 0.00 0.00 34.13 31.30 2qtc s GLU 683 CO 0.93 -0.02 1.53 0.09 -0.54 0.00 0.00 175.26 177.25 2qtc n ASN 684 N 1.80 5.23 -4.14 -1.70 3.02 -1.26 -4.43 115.26 113.77 2qtc n ASN 684 Ca 0.02 -3.02 -0.09 0.00 -0.03 0.00 0.00 54.58 51.46 2qtc n ASN 684 Cb 0.44 -1.54 -0.10 0.00 -0.61 0.00 0.00 39.78 37.97 2qtc n ASN 684 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2qtc s VAL 685 N 1.09 0.27 0.16 2.41 -7.23 -1.26 -4.88 120.40 110.96 2qtc s VAL 685 Ca 0.41 -1.89 0.06 0.00 -1.81 0.00 0.00 61.98 58.76 2qtc s VAL 685 Cb 0.00 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2qtc s VAL 685 CO 0.00 -0.69 -0.14 -0.72 -0.31 0.00 0.00 175.10 173.25 2qtc s TYR 686 N -3.91 1.51 0.02 2.82 -0.85 -0.67 -4.13 117.35 112.14 2qtc s TYR 686 Ca 0.17 -0.59 0.01 0.00 -0.52 0.00 0.00 57.07 56.14 2qtc s TYR 686 Cb 0.07 -0.75 -0.04 0.00 0.38 0.00 0.00 41.96 41.62 2qtc s TYR 686 CO -0.03 0.21 0.05 0.71 -1.52 0.00 0.00 175.55 174.98 2qtc s TYR 687 N -2.61 3.18 -0.12 -3.49 1.51 -0.29 -0.40 117.35 115.13 2qtc s TYR 687 Ca 0.15 0.12 -0.00 0.00 -1.01 0.00 0.00 57.07 56.33 2qtc s TYR 687 Cb -0.02 -1.68 0.02 0.00 -0.11 0.00 0.00 41.96 40.18 2qtc s TYR 687 CO 0.04 0.51 -0.09 -0.47 -1.11 0.00 0.00 175.55 174.43 2qtc s TYR 688 N -1.22 1.64 -0.12 2.71 5.04 0.32 -0.68 117.35 125.05 2qtc s TYR 688 Ca 0.24 -0.85 0.01 0.00 -2.44 0.00 0.00 57.07 54.03 2qtc s TYR 688 Cb -0.12 -1.31 0.02 0.00 0.35 0.00 0.00 41.96 40.90 2qtc s TYR 688 CO 0.15 -0.54 -0.13 0.42 -1.34 0.00 0.00 175.55 174.11 2qtc s ILE 689 N 1.63 1.38 0.05 3.14 1.01 -0.48 -1.26 121.20 126.67 2qtc s ILE 689 Ca 0.05 -0.54 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 2qtc s ILE 689 Cb -0.13 -1.30 -0.06 0.00 0.01 0.00 0.00 42.46 40.98 2qtc s ILE 689 CO -0.09 0.42 0.62 0.42 0.00 0.00 0.00 174.94 176.32 2qtc s THR 690 N 1.31 4.76 0.20 2.92 -4.23 -0.77 -1.31 115.64 118.52 2qtc s THR 690 Ca -0.01 1.33 0.07 0.00 -1.18 0.00 0.00 61.69 61.90 2qtc s THR 690 Cb -0.14 -3.96 -0.05 0.00 1.34 0.00 0.00 72.50 69.69 2qtc s THR 690 CO -0.06 0.48 -0.12 0.42 -0.54 0.00 0.00 174.62 174.80 2qtc s THR 691 N -0.64 1.58 0.24 3.99 -4.23 -0.10 -4.40 115.64 112.09 2qtc s THR 691 Ca 0.32 -2.17 0.08 0.00 -1.18 0.00 0.00 61.69 58.74 2qtc s THR 691 Cb -0.20 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 2qtc s THR 691 CO 0.20 -0.58 0.06 -0.76 -0.54 0.00 0.00 174.62 172.99 2qtc s LEU 692 N -3.30 3.42 0.00 4.79 1.43 -1.26 -1.95 118.68 121.81 2qtc s LEU 692 Ca 0.22 -0.47 0.16 0.00 -1.03 0.00 0.00 54.13 53.01 2qtc s LEU 692 Cb 0.01 -1.97 0.39 0.00 0.03 0.00 0.00 46.19 44.64 2qtc s LEU 692 CO 0.06 0.01 1.30 -0.46 0.23 0.00 0.00 176.35 177.49 2qtc n ASN 693 N -0.82 3.16 -4.64 2.29 6.94 -1.26 -2.94 115.26 117.99 2qtc n ASN 693 Ca -0.07 -1.94 -0.35 0.00 -0.02 0.00 0.00 54.58 52.19 2qtc n ASN 693 Cb 0.58 -0.28 -0.10 0.00 -2.36 0.00 0.00 39.78 37.63 2qtc n ASN 693 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2qtc s GLU 694 N -1.06 4.00 0.15 -3.83 2.12 -1.26 -4.99 118.70 113.83 2qtc s GLU 694 Ca 0.31 -0.32 -0.21 0.00 0.36 0.00 0.00 54.97 55.11 2qtc s GLU 694 Cb 0.17 -3.31 -0.08 0.00 0.26 0.00 0.00 34.13 31.17 2qtc s GLU 694 CO 0.22 0.21 0.67 -0.80 -0.54 0.00 0.00 175.26 175.02 2qtc s ASN 695 N 0.58 7.13 0.28 -1.70 0.01 -1.26 -4.22 114.94 115.76 2qtc s ASN 695 Ca 0.05 1.40 -0.20 0.00 -0.71 0.00 0.00 52.86 53.40 2qtc s ASN 695 Cb -0.13 -2.41 0.05 0.00 0.41 0.00 0.00 41.25 39.17 2qtc s ASN 695 CO 0.01 0.16 0.84 -0.72 -1.51 0.00 0.00 177.10 175.89 2qtc s TYR 696 N -1.29 -0.02 0.22 2.20 -0.85 -0.52 -4.84 117.35 112.25 2qtc s TYR 696 Ca 0.36 -0.47 -0.31 0.00 -0.52 0.00 0.00 57.07 56.12 2qtc s TYR 696 Cb -0.19 0.74 -0.11 0.00 0.38 0.00 0.00 41.96 42.78 2qtc s TYR 696 CO 0.22 -1.23 1.63 -1.58 -1.52 0.00 0.00 175.55 173.07 2qtc s HIS 697 N -2.93 2.92 -0.38 -3.49 5.65 -1.26 -2.64 115.29 113.16 2qtc s HIS 697 Ca 0.15 0.58 -0.02 0.00 0.25 0.00 0.00 55.06 56.01 2qtc s HIS 697 Cb -0.04 -4.04 0.09 0.00 -1.18 0.00 0.00 32.58 27.41 2qtc s HIS 697 CO 0.07 -3.77 0.15 -1.64 -0.65 0.00 0.00 174.74 168.91 2qtc s MET 698 N 0.65 2.08 1.00 2.88 1.00 -1.26 -4.98 119.30 120.66 2qtc s MET 698 Ca 0.70 -1.69 -0.14 0.00 0.00 0.00 0.00 55.69 54.56 2qtc s MET 698 Cb -0.47 -3.48 0.19 0.00 0.00 0.00 0.00 34.83 31.07 2qtc s MET 698 CO 0.36 -0.96 1.14 -1.25 0.00 0.00 0.00 175.02 174.32 2qtc s PRO 699 N 1.16 0.43 0.44 2.03 0.04 -1.26 -0.68 135.00 137.16 2qtc s PRO 699 Ca 0.05 0.19 -0.21 0.00 0.04 0.00 0.00 61.00 61.08 2qtc s PRO 699 Cb -0.22 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 32.45 2qtc s PRO 699 CO -0.04 -2.66 0.97 0.00 0.04 0.00 0.00 177.00 175.31 2qtc s ALA 700 N -3.22 3.01 0.22 8.56 0.00 -1.26 -4.31 121.76 124.76 2qtc s ALA 700 Ca 0.67 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.76 2qtc s ALA 700 Cb -0.14 -3.17 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 2qtc s ALA 700 CO 0.55 0.05 1.35 1.41 0.00 0.00 0.00 175.76 179.12 2qtc s MET 701 N -3.20 4.35 0.40 0.00 1.75 -0.35 -4.89 119.30 117.36 2qtc s MET 701 Ca 0.63 2.15 -0.26 0.00 -1.25 0.00 0.00 55.69 56.96 2qtc s MET 701 Cb -0.10 -3.16 -0.09 0.00 2.84 0.00 0.00 34.83 34.32 2qtc s MET 701 CO 0.14 -0.30 1.24 -2.14 -0.65 0.00 0.00 175.02 173.31 2qtc s PRO 702 N -0.30 4.01 0.19 4.11 0.02 -1.26 -4.92 135.00 136.85 2qtc s PRO 702 Ca 0.57 2.02 -0.33 0.00 0.02 0.00 0.00 61.00 63.28 2qtc s PRO 702 Cb -0.38 -2.73 -0.14 0.00 0.02 0.00 0.00 34.50 31.26 2qtc s PRO 702 CO 0.41 -0.41 1.43 -1.91 -0.33 0.00 0.00 177.00 176.19 2qtc n GLU 703 N 0.12 1.89 -0.97 5.54 2.13 -1.26 -2.02 120.64 126.07 2qtc n GLU 703 Ca 0.04 0.68 0.00 0.00 0.66 0.00 0.00 57.16 58.54 2qtc n GLU 703 Cb 0.45 -2.35 0.00 0.00 0.27 0.00 0.00 31.44 29.80 2qtc n GLU 703 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qtc n GLY 704 N 2.59 0.37 0.02 8.31 0.00 -1.26 -4.90 105.19 110.33 2qtc n GLY 704 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 2qtc n GLY 704 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qtc n ALA 705 N 1.00 2.26 -0.15 4.61 0.00 -0.86 -4.32 120.51 123.05 2qtc n ALA 705 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 2qtc n ALA 705 Cb 0.15 -1.45 0.02 0.00 0.00 0.00 0.00 19.45 18.17 2qtc n ALA 705 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qtc h GLU 706 N 0.00 -0.12 -0.61 0.00 3.07 -1.91 0.18 114.58 115.20 2qtc h GLU 706 Ca 0.00 0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.84 2qtc h GLU 706 Cb 0.53 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.44 2qtc h GLU 706 CO 0.00 -0.08 0.27 1.49 -1.40 0.00 0.00 179.01 179.29 2qtc h GLU 707 N -0.13 0.86 -0.38 2.33 4.57 -2.00 -1.60 114.58 118.24 2qtc h GLU 707 Ca 0.22 -0.12 -0.12 0.00 -1.18 0.00 0.00 59.36 58.17 2qtc h GLU 707 Cb 0.48 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2qtc h GLU 707 CO -0.56 0.69 -0.21 0.78 -1.18 0.00 0.00 179.01 178.52 2qtc h GLY 708 N 0.96 0.89 0.73 1.92 0.00 -1.51 -1.38 103.07 104.68 2qtc h GLY 708 Ca 0.21 -0.82 0.04 0.00 0.00 0.00 0.00 47.33 46.76 2qtc h GLY 708 CO -0.02 0.74 0.19 -2.22 0.00 0.00 0.00 176.54 175.23 2qtc h ILE 709 N 0.62 0.94 -0.45 2.60 2.04 -0.57 0.57 117.51 123.25 2qtc h ILE 709 Ca 0.08 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 2qtc h ILE 709 Cb 0.77 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2qtc h ILE 709 CO 0.06 0.07 -0.19 0.03 0.00 0.00 0.00 178.15 178.12 2qtc h ARG 710 N 0.39 0.89 0.00 2.37 3.08 -1.20 -3.06 114.38 116.85 2qtc h ARG 710 Ca 0.19 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.83 2qtc h ARG 710 Cb 0.12 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 2qtc h ARG 710 CO -0.15 1.00 -0.27 0.87 -1.07 0.00 0.00 179.97 180.35 2qtc h LYS 711 N 0.78 0.00 0.00 0.04 1.57 -0.92 -3.48 116.57 114.56 2qtc h LYS 711 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2qtc h LYS 711 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2qtc h LYS 711 CO 0.06 0.27 0.00 0.41 -0.57 0.00 0.00 179.45 179.62 2qtc n GLY 712 N 0.55 1.46 3.59 3.86 0.00 0.11 -4.25 105.19 110.51 2qtc n GLY 712 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 2qtc n GLY 712 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qtc s ILE 713 N -1.18 0.00 -0.03 -0.61 2.07 -0.71 -1.15 121.20 119.58 2qtc s ILE 713 Ca 0.00 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.06 2qtc s ILE 713 Cb 0.00 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.62 2qtc s ILE 713 CO 0.00 0.00 0.39 -0.72 -1.91 0.00 0.00 174.94 172.70 2qtc s TYR 714 N -0.30 -0.30 -0.33 3.50 1.13 -1.00 -4.48 117.35 115.56 2qtc s TYR 714 Ca -0.04 0.51 -0.29 0.00 -1.41 0.00 0.00 57.07 55.84 2qtc s TYR 714 Cb -0.03 0.17 0.02 0.00 -1.10 0.00 0.00 41.96 41.01 2qtc s TYR 714 CO 0.04 -0.42 1.06 0.21 -2.51 0.00 0.00 175.55 173.93 2qtc s LYS 715 N -1.18 4.02 -0.05 -3.49 2.20 -1.26 -1.79 119.74 118.19 2qtc s LYS 715 Ca -0.12 0.98 -0.24 0.00 -0.36 0.00 0.00 55.97 56.23 2qtc s LYS 715 Cb -0.04 -3.75 -0.23 0.00 -1.51 0.00 0.00 37.83 32.30 2qtc s LYS 715 CO 0.05 -0.93 1.06 -0.07 -0.36 0.00 0.00 175.35 175.09 2qtc h LEU 716 N 10.15 0.20 -7.94 5.43 3.38 -0.50 -3.48 115.31 122.56 2qtc h LEU 716 Ca -0.21 -0.74 0.06 0.00 0.09 0.00 0.00 57.88 57.07 2qtc h LEU 716 Cb 1.06 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 2qtc h LEU 716 CO 1.03 0.92 0.21 -1.83 0.09 0.00 0.00 178.44 178.86 2qtc s GLU 717 N -3.26 1.74 -0.07 1.13 -1.05 -1.11 -5.01 118.70 111.07 2qtc s GLU 717 Ca -0.16 -0.97 0.02 0.00 -0.15 0.00 0.00 54.97 53.71 2qtc s GLU 717 Cb 0.01 0.60 0.02 0.00 -0.44 0.00 0.00 34.13 34.32 2qtc s GLU 717 CO 0.73 -0.79 -0.10 0.99 0.95 0.00 0.00 175.26 177.05 2qtc s THR 718 N -3.91 0.98 -0.12 1.83 2.01 -1.26 -0.97 115.64 114.20 2qtc s THR 718 Ca 0.11 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 2qtc s THR 718 Cb -0.05 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 2qtc s THR 718 CO 0.06 0.33 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.62 2qtc s ILE 719 N 0.90 3.71 0.46 1.82 1.01 0.17 -4.95 121.20 124.31 2qtc s ILE 719 Ca -0.11 -0.44 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 2qtc s ILE 719 Cb -0.15 -2.58 -0.10 0.00 0.01 0.00 0.00 42.46 39.64 2qtc s ILE 719 CO 0.01 0.53 0.99 -0.70 0.00 0.00 0.00 174.94 175.77 2qtc s GLU 720 N -0.05 4.04 -0.21 2.79 2.12 -1.26 -0.95 118.70 125.18 2qtc s GLU 720 Ca 0.00 1.22 -0.29 0.00 0.36 0.00 0.00 54.97 56.27 2qtc s GLU 720 Cb -0.13 -2.14 0.14 0.00 0.26 0.00 0.00 34.13 32.25 2qtc s GLU 720 CO 0.03 -0.21 1.08 0.20 -0.54 0.00 0.00 175.26 175.82 2qtc s GLY 721 N -2.11 -0.16 0.00 -1.50 0.00 -1.26 -4.32 107.32 97.96 2qtc s GLY 721 Ca 0.64 2.36 0.10 0.00 0.00 0.00 0.00 44.72 47.83 2qtc s GLY 721 CO 0.16 1.27 0.54 -1.14 0.00 0.00 0.00 173.10 173.93 2qtc n SER 722 N 1.08 0.88 0.08 1.64 3.41 -0.57 -4.37 113.62 115.77 2qtc n SER 722 Ca -0.09 -0.94 0.05 0.00 -0.26 0.00 0.00 58.87 57.63 2qtc n SER 722 Cb 0.57 0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 65.21 2qtc n SER 722 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2qtc h LYS 723 N 0.62 0.00 0.00 4.33 1.79 -1.05 -3.50 116.57 118.76 2qtc h LYS 723 Ca 0.00 0.00 0.30 0.00 -2.18 0.00 0.00 60.65 58.77 2qtc h LYS 723 Cb 0.29 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.89 2qtc h LYS 723 CO 0.00 0.18 0.76 0.41 -1.08 0.00 0.00 179.45 179.72 2qtc n GLY 724 N 1.28 0.24 3.24 3.86 0.00 -1.22 -4.89 105.19 107.70 2qtc n GLY 724 Ca -0.04 -0.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.87 2qtc n GLY 724 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qtc s LYS 725 N -2.01 0.39 0.30 1.61 2.20 -1.26 -1.29 119.74 119.68 2qtc s LYS 725 Ca 0.25 0.63 0.03 0.00 -0.36 0.00 0.00 55.97 56.52 2qtc s LYS 725 Cb -0.00 0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 2qtc s LYS 725 CO -0.01 -0.11 0.14 0.14 -0.36 0.00 0.00 175.35 175.15 2qtc s VAL 726 N 0.84 0.41 -0.05 4.02 -7.23 -0.45 -4.22 120.40 113.72 2qtc s VAL 726 Ca -0.05 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.18 2qtc s VAL 726 Cb -0.06 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 2qtc s VAL 726 CO -0.06 0.00 -0.24 -1.10 -0.31 0.00 0.00 175.10 173.39 2qtc s GLN 727 N -3.85 2.38 -0.08 4.82 -0.21 0.78 -1.93 119.66 121.57 2qtc s GLN 727 Ca 0.35 -0.87 0.03 0.00 0.02 0.00 0.00 55.36 54.89 2qtc s GLN 727 Cb 0.05 -2.06 0.01 0.00 1.00 0.00 0.00 33.01 32.01 2qtc s GLN 727 CO 0.17 0.39 -0.17 -0.51 -2.12 0.00 0.00 175.29 173.05 2qtc s LEU 728 N -0.21 1.80 -0.02 2.90 1.43 -0.09 -0.84 118.68 123.64 2qtc s LEU 728 Ca -0.01 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.76 2qtc s LEU 728 Cb -0.13 -1.05 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 2qtc s LEU 728 CO 0.03 0.08 -0.23 -0.76 0.23 0.00 0.00 176.35 175.69 2qtc s LEU 729 N 0.57 2.04 0.11 1.79 1.02 0.28 -1.14 118.68 123.35 2qtc s LEU 729 Ca -0.16 -0.42 -0.11 0.00 0.02 0.00 0.00 54.13 53.46 2qtc s LEU 729 Cb -0.17 -1.19 0.01 0.00 0.02 0.00 0.00 46.19 44.86 2qtc s LEU 729 CO 0.05 0.27 0.27 -0.83 0.02 0.00 0.00 176.35 176.14 2qtc s GLY 730 N -0.48 0.06 0.18 -3.19 0.00 -1.07 -1.41 107.32 101.42 2qtc s GLY 730 Ca 0.07 -0.51 -0.05 0.00 0.00 0.00 0.00 44.72 44.23 2qtc s GLY 730 CO -0.00 -0.67 0.21 -1.35 0.00 0.00 0.00 173.10 171.29 2qtc s SER 731 N -2.87 0.12 0.72 1.64 1.04 -1.24 -0.94 113.70 112.18 2qtc s SER 731 Ca 0.07 -1.13 0.00 0.00 0.48 0.00 0.00 55.95 55.36 2qtc s SER 731 Cb 0.04 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2qtc s SER 731 CO -0.09 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2qtc n GLY 732 N -0.23 1.94 0.11 7.32 0.00 -0.30 -2.48 105.19 111.54 2qtc n GLY 732 Ca -0.03 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.67 2qtc n GLY 732 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qtc n SER 733 N -1.14 0.66 0.16 1.61 3.41 -1.26 -3.10 113.62 113.96 2qtc n SER 733 Ca 0.00 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.35 2qtc n SER 733 Cb 0.00 -0.78 0.19 0.00 -0.26 0.00 0.00 64.21 63.36 2qtc n SER 733 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2qtc h ILE 734 N 0.00 0.00 -1.00 -1.33 1.08 -1.83 -3.31 117.51 111.12 2qtc h ILE 734 Ca 0.00 -0.84 0.08 0.00 -0.39 0.00 0.00 64.86 63.71 2qtc h ILE 734 Cb 0.48 1.70 -0.07 0.00 -3.07 0.00 0.00 36.82 35.86 2qtc h ILE 734 CO 0.00 0.00 0.64 0.25 -0.69 0.00 0.00 178.15 178.35 2qtc h LEU 735 N 0.00 1.00 -0.88 1.44 5.85 -1.44 -0.73 115.31 120.56 2qtc h LEU 735 Ca 0.00 0.02 0.13 0.00 0.84 0.00 0.00 57.88 58.88 2qtc h LEU 735 Cb 0.92 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.67 2qtc h LEU 735 CO 0.00 0.61 0.49 0.03 -0.34 0.00 0.00 178.44 179.22 2qtc h ARG 736 N 1.11 0.70 -0.05 1.25 3.08 -1.80 0.74 114.38 119.42 2qtc h ARG 736 Ca 0.45 -0.04 -0.18 0.00 0.07 0.00 0.00 59.98 60.28 2qtc h ARG 736 Cb 0.27 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2qtc h ARG 736 CO -0.20 0.46 -0.76 0.45 -1.07 0.00 0.00 179.97 178.86 2qtc h HIS 737 N 0.72 0.44 -0.20 3.04 3.86 -1.38 -1.76 115.15 119.87 2qtc h HIS 737 Ca 0.46 -0.21 -0.12 0.00 -1.16 0.00 0.00 60.37 59.34 2qtc h HIS 737 Cb 0.59 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2qtc h HIS 737 CO -0.06 0.96 -0.40 -0.39 0.86 0.00 0.00 177.93 178.89 2qtc h VAL 738 N 0.21 1.30 -0.32 2.45 -1.51 -0.41 0.05 116.25 118.03 2qtc h VAL 738 Ca -0.03 -1.55 -0.09 0.00 -1.23 0.00 0.00 66.70 63.79 2qtc h VAL 738 Cb 1.34 1.59 -0.02 0.00 -2.13 0.00 0.00 31.29 32.07 2qtc h VAL 738 CO 0.12 0.48 -0.18 0.03 -1.23 0.00 0.00 177.57 176.80 2qtc h ARG 739 N 0.38 0.58 -0.24 5.19 3.08 -0.79 -0.59 114.38 121.98 2qtc h ARG 739 Ca 0.03 -0.20 -0.13 0.00 0.07 0.00 0.00 59.98 59.76 2qtc h ARG 739 Cb 0.87 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 2qtc h ARG 739 CO 0.07 0.73 -0.38 1.49 -1.07 0.00 0.00 179.97 180.81 2qtc h GLU 740 N 0.52 0.54 -0.34 0.04 4.81 -0.85 -2.37 114.58 116.94 2qtc h GLU 740 Ca 0.08 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 2qtc h GLU 740 Cb 0.61 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2qtc h GLU 740 CO 0.04 0.84 -0.03 0.00 -0.73 0.00 0.00 179.01 179.13 2qtc h ALA 741 N 1.13 1.31 -0.54 2.92 0.00 -0.35 -1.65 119.26 122.08 2qtc h ALA 741 Ca 0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2qtc h ALA 741 Cb 0.87 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2qtc h ALA 741 CO 0.07 0.47 0.12 0.00 0.00 0.00 0.00 179.25 179.91 2qtc h ALA 742 N 1.45 0.71 -0.21 0.00 0.00 -0.77 -0.46 119.26 119.99 2qtc h ALA 742 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2qtc h ALA 742 Cb 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2qtc h ALA 742 CO 0.02 0.42 0.10 1.49 0.00 0.00 0.00 179.25 181.27 2qtc h GLU 743 N 0.77 0.30 -0.39 0.00 4.57 -0.94 -2.20 114.58 116.69 2qtc h GLU 743 Ca 0.17 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.34 2qtc h GLU 743 Cb 0.35 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 2qtc h GLU 743 CO 0.00 0.32 0.18 0.82 -1.18 0.00 0.00 179.01 179.16 2qtc h ILE 744 N 0.20 0.96 -0.92 2.32 2.04 -1.13 0.24 117.51 121.21 2qtc h ILE 744 Ca 0.07 -0.13 0.09 0.00 1.00 0.00 0.00 64.86 65.89 2qtc h ILE 744 Cb 0.13 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 36.69 2qtc h ILE 744 CO -0.01 0.07 0.59 -0.07 0.00 0.00 0.00 178.15 178.73 2qtc h LEU 745 N 0.38 0.85 0.05 1.44 3.38 -0.90 0.19 115.31 120.70 2qtc h LEU 745 Ca 0.17 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 2qtc h LEU 745 Cb 0.09 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.70 2qtc h LEU 745 CO -0.13 0.51 -0.35 0.00 0.09 0.00 0.00 178.44 178.55 2qtc h ALA 746 N 1.54 -0.02 -0.04 1.53 0.00 -0.82 0.17 119.26 121.61 2qtc h ALA 746 Ca 0.43 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2qtc h ALA 746 Cb 0.37 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qtc h ALA 746 CO -0.19 0.16 -0.01 -0.22 0.00 0.00 0.00 179.25 179.00 2qtc h LYS 747 N -0.64 0.08 0.00 0.00 3.64 -0.31 -2.36 116.57 116.98 2qtc h LYS 747 Ca -0.06 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.05 2qtc h LYS 747 Cb 1.23 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.00 2qtc h LYS 747 CO 0.07 0.40 -1.52 -0.44 -2.27 0.00 0.00 179.45 175.69 2qtc h ASP 748 N -0.25 0.00 -0.00 4.20 3.32 -0.79 -3.40 116.42 119.49 2qtc h ASP 748 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2qtc h ASP 748 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2qtc h ASP 748 CO 0.00 0.86 0.00 -1.22 -1.72 0.00 0.00 179.24 177.17 2qtc n TYR 749 N -3.03 0.00 -1.65 4.55 4.02 -0.92 -5.00 117.16 115.12 2qtc n TYR 749 Ca -0.13 -0.08 -0.17 0.00 -0.01 0.00 0.00 57.90 57.52 2qtc n TYR 749 Cb 0.97 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 40.22 2qtc n TYR 749 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qtc n GLY 750 N -0.08 1.29 3.63 2.72 0.00 -0.78 -4.65 105.19 107.33 2qtc n GLY 750 Ca 0.00 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 2qtc n GLY 750 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qtc s VAL 751 N -2.67 5.22 0.71 1.61 1.01 -0.02 -0.49 120.40 125.77 2qtc s VAL 751 Ca 0.00 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 2qtc s VAL 751 Cb 0.00 -3.66 0.10 0.00 0.00 0.00 0.00 36.38 32.81 2qtc s VAL 751 CO 0.00 0.22 1.00 -0.83 0.00 0.00 0.00 175.10 175.49 2qtc s GLY 752 N 1.37 1.75 0.01 4.51 0.00 -0.41 -2.69 107.32 111.87 2qtc s GLY 752 Ca 0.14 -1.32 -0.28 0.00 0.00 0.00 0.00 44.72 43.27 2qtc s GLY 752 CO 0.09 -0.83 0.85 -1.35 0.00 0.00 0.00 173.10 171.85 2qtc s SER 753 N -4.62 -0.40 -0.15 1.64 1.04 -0.12 -1.34 113.70 109.74 2qtc s SER 753 Ca 0.63 0.02 -0.05 0.00 0.48 0.00 0.00 55.95 57.04 2qtc s SER 753 Cb -0.08 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.42 2qtc s SER 753 CO 0.44 -0.66 0.00 -1.81 0.98 0.00 0.00 173.24 172.19 2qtc s ASP 754 N -2.47 5.13 -0.17 7.02 1.01 -0.81 0.41 116.67 126.79 2qtc s ASP 754 Ca 0.04 -0.02 -0.03 0.00 0.71 0.00 0.00 52.55 53.26 2qtc s ASP 754 Cb -0.01 -1.79 -0.02 0.00 1.01 0.00 0.00 42.92 42.11 2qtc s ASP 754 CO -0.09 0.20 -0.07 -0.69 0.21 0.00 0.00 175.17 174.74 2qtc s VAL 755 N 0.16 3.46 -0.06 -1.27 1.01 -0.14 -0.92 120.40 122.65 2qtc s VAL 755 Ca 0.01 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.54 2qtc s VAL 755 Cb -0.13 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 2qtc s VAL 755 CO 0.02 0.48 -0.22 -0.31 0.00 0.00 0.00 175.10 175.07 2qtc s TYR 756 N 0.72 2.51 -0.06 5.22 1.51 -0.29 0.29 117.35 127.25 2qtc s TYR 756 Ca -0.03 -0.54 -0.18 0.00 -1.01 0.00 0.00 57.07 55.31 2qtc s TYR 756 Cb -0.15 -1.61 -0.05 0.00 -0.11 0.00 0.00 41.96 40.04 2qtc s TYR 756 CO 0.02 -0.10 0.48 0.45 -1.11 0.00 0.00 175.55 175.30 2qtc s SER 757 N -0.32 6.78 -0.39 2.29 0.15 -0.74 -2.60 113.70 118.87 2qtc s SER 757 Ca 0.02 0.93 -0.03 0.00 0.70 0.00 0.00 55.95 57.57 2qtc s SER 757 Cb -0.13 -2.29 0.10 0.00 -1.71 0.00 0.00 66.02 61.99 2qtc s SER 757 CO 0.02 0.12 0.17 -0.69 1.20 0.00 0.00 173.24 174.06 2qtc s VAL 758 N -0.05 3.28 -0.69 4.45 1.01 -0.12 -2.38 120.40 125.90 2qtc s VAL 758 Ca 0.26 -1.88 0.26 0.00 0.00 0.00 0.00 61.98 60.62 2qtc s VAL 758 Cb -0.16 -3.17 0.29 0.00 0.00 0.00 0.00 36.38 33.34 2qtc s VAL 758 CO 0.13 -0.56 1.77 0.35 0.00 0.00 0.00 175.10 176.78 2qtc n THR 759 N 4.62 0.65 -3.14 3.92 -2.24 -0.30 -4.42 114.28 113.36 2qtc n THR 759 Ca -0.05 -0.23 0.02 0.00 -2.27 0.00 0.00 64.05 61.52 2qtc n THR 759 Cb 0.42 -0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 67.98 2qtc n THR 759 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qtc s SER 760 N -4.56 -1.36 0.38 3.42 0.15 -1.00 -0.69 113.70 110.03 2qtc s SER 760 Ca 0.10 -0.52 0.05 0.00 0.70 0.00 0.00 55.95 56.28 2qtc s SER 760 Cb 0.12 1.76 0.75 0.00 -1.71 0.00 0.00 66.02 66.94 2qtc s SER 760 CO 0.58 -0.17 2.01 -0.26 1.20 0.00 0.00 173.24 176.59 2qtc h PHE 761 N 6.97 0.59 -0.34 3.44 0.04 -1.82 -2.46 116.94 123.35 2qtc h PHE 761 Ca 0.02 -0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.68 2qtc h PHE 761 Cb 1.19 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.14 2qtc h PHE 761 CO 0.13 0.41 -0.21 1.15 -0.60 0.00 0.00 178.31 179.19 2qtc h THR 762 N 0.61 1.29 -0.06 -1.55 2.02 -1.85 -0.90 112.91 112.48 2qtc h THR 762 Ca 0.16 -1.35 -0.06 0.00 0.77 0.00 0.00 66.41 65.93 2qtc h THR 762 Cb 0.02 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2qtc h THR 762 CO -0.03 0.44 -0.24 -0.33 0.37 0.00 0.00 175.52 175.74 2qtc h GLU 763 N 0.52 0.11 -0.29 6.66 4.39 -1.76 -0.98 114.58 123.23 2qtc h GLU 763 Ca 0.07 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.60 2qtc h GLU 763 Cb 0.76 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.40 2qtc h GLU 763 CO 0.06 0.34 -0.36 -0.07 -1.16 0.00 0.00 179.01 177.83 2qtc h LEU 764 N 0.10 0.81 -0.59 1.33 3.38 -1.18 -1.72 115.31 117.43 2qtc h LEU 764 Ca 0.02 -0.49 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 2qtc h LEU 764 Cb 0.48 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2qtc h LEU 764 CO 0.03 1.14 0.11 0.00 0.09 0.00 0.00 178.44 179.81 2qtc h ALA 765 N 0.69 0.79 -0.72 1.53 0.00 -0.84 0.03 119.26 120.74 2qtc h ALA 765 Ca 0.04 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2qtc h ALA 765 Cb 0.94 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2qtc h ALA 765 CO 0.08 0.53 0.30 0.00 0.00 0.00 0.00 179.25 180.17 2qtc h ARG 766 N 0.88 1.06 -0.58 0.00 3.08 -1.15 -0.08 114.38 117.59 2qtc h ARG 766 Ca 0.18 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2qtc h ARG 766 Cb 0.41 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2qtc h ARG 766 CO 0.01 0.86 0.26 0.22 -1.07 0.00 0.00 179.97 180.25 2qtc h ASP 767 N 1.02 0.78 -0.57 7.04 3.58 -0.92 -1.21 116.42 126.13 2qtc h ASP 767 Ca 0.24 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 2qtc h ASP 767 Cb 0.19 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.01 2qtc h ASP 767 CO -0.02 0.71 0.32 1.23 -2.88 0.00 0.00 179.24 178.59 2qtc h GLY 768 N 0.79 0.85 1.04 -0.78 0.00 -0.52 -1.34 103.07 103.11 2qtc h GLY 768 Ca 0.20 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2qtc h GLY 768 CO -0.02 0.37 0.46 1.46 0.00 0.00 0.00 176.54 178.80 2qtc h GLN 769 N 0.77 1.25 -0.53 4.80 4.20 -0.71 -0.78 115.11 124.10 2qtc h GLN 769 Ca 0.20 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 2qtc h GLN 769 Cb 0.04 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2qtc h GLN 769 CO -0.03 0.93 0.05 -0.44 -0.67 0.00 0.00 178.83 178.67 2qtc h ASP 770 N 1.24 0.87 -0.14 1.46 3.32 -0.84 0.14 116.42 122.47 2qtc h ASP 770 Ca 0.31 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2qtc h ASP 770 Cb 0.07 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2qtc h ASP 770 CO -0.04 0.93 0.03 0.00 -1.72 0.00 0.00 179.24 178.44 2qtc h GLU 772 N 0.03 0.94 -0.32 0.00 4.39 -1.01 0.23 114.58 118.83 2qtc h GLU 772 Ca 0.04 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2qtc h GLU 772 Cb 0.27 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2qtc h GLU 772 CO 0.00 0.83 0.17 -0.09 -1.16 0.00 0.00 179.01 178.76 2qtc h ARG 773 N 0.90 0.45 -0.38 2.33 2.43 -0.57 -1.00 114.38 118.54 2qtc h ARG 773 Ca 0.19 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2qtc h ARG 773 Cb 0.32 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2qtc h ARG 773 CO -0.00 0.39 0.15 2.35 -1.51 0.00 0.00 179.97 181.35 2qtc h TRP 774 N 0.39 0.57 -0.91 2.20 7.01 -0.42 -1.89 115.95 122.89 2qtc h TRP 774 Ca 0.11 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.11 2qtc h TRP 774 Cb 0.08 -0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 26.91 2qtc h TRP 774 CO -0.03 0.52 0.59 -0.91 -2.79 0.00 0.00 178.44 175.82 2qtc h ASN 775 N 0.46 0.97 -0.70 2.65 2.35 -0.37 -0.65 115.58 120.29 2qtc h ASN 775 Ca 0.13 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 2qtc h ASN 775 Cb 0.19 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2qtc h ASN 775 CO -0.01 0.65 0.29 -0.03 -1.65 0.00 0.00 177.43 176.68 2qtc h MET 776 N 1.12 1.06 -0.00 0.81 1.85 -0.84 -2.72 114.93 116.21 2qtc h MET 776 Ca 0.37 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 59.28 2qtc h MET 776 Cb 0.05 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 31.90 2qtc h MET 776 CO -0.13 0.86 -0.11 1.28 -0.40 0.00 0.00 176.91 178.41 2qtc n LEU 777 N -4.29 0.13 -3.24 3.39 4.77 -0.74 -4.24 117.00 112.78 2qtc n LEU 777 Ca 0.06 0.35 -0.24 0.00 -0.03 0.00 0.00 56.01 56.16 2qtc n LEU 777 Cb 0.18 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 2qtc n LEU 777 CO 0.40 0.03 -0.16 1.41 -1.33 0.00 0.00 177.39 177.74 2qtc n HIS 778 N -1.46 1.07 0.33 -1.77 8.25 -0.32 -4.96 115.22 116.36 2qtc n HIS 778 Ca 0.07 -3.78 0.22 0.00 -0.26 0.00 0.00 57.72 53.97 2qtc n HIS 778 Cb 0.33 -0.42 1.17 0.00 1.12 0.00 0.00 29.99 32.19 2qtc n HIS 778 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2qtc h PRO 779 N 3.86 0.00 -0.00 -0.41 0.13 -1.73 -1.64 132.00 132.21 2qtc h PRO 779 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2qtc h PRO 779 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2qtc h PRO 779 CO 0.59 0.00 -0.37 1.28 -0.23 0.00 0.00 178.00 179.27 2qtc n LEU 780 N -3.11 0.80 -4.97 1.56 4.32 -1.26 -4.93 117.00 109.40 2qtc n LEU 780 Ca -0.03 -0.15 -0.21 0.00 -0.02 0.00 0.00 56.01 55.60 2qtc n LEU 780 Cb 0.09 -0.18 -0.00 0.00 -1.62 0.00 0.00 43.42 41.71 2qtc n LEU 780 CO 0.21 0.16 0.12 -1.61 -1.22 0.00 0.00 177.39 175.05 2qtc s GLU 781 N -2.72 3.23 0.18 3.23 0.41 -0.62 -5.06 118.70 117.36 2qtc s GLU 781 Ca 0.18 -0.71 -0.30 0.00 -0.41 0.00 0.00 54.97 53.74 2qtc s GLU 781 Cb 0.18 -2.74 -0.09 0.00 -1.78 0.00 0.00 34.13 29.71 2qtc s GLU 781 CO 0.60 0.06 1.36 0.99 -0.49 0.00 0.00 175.26 177.78 2qtc s THR 782 N -2.26 3.12 0.28 3.63 2.01 -1.26 -4.94 115.64 116.22 2qtc s THR 782 Ca 0.43 0.89 -0.30 0.00 0.31 0.00 0.00 61.69 63.01 2qtc s THR 782 Cb -0.10 -3.57 -0.11 0.00 0.01 0.00 0.00 72.50 68.74 2qtc s THR 782 CO 0.33 0.11 1.53 -2.84 -0.69 0.00 0.00 174.62 173.06 2qtc s PRO 783 N 0.20 4.18 0.42 4.92 0.02 -1.26 -4.98 135.00 138.49 2qtc s PRO 783 Ca 0.60 2.47 -0.23 0.00 0.02 0.00 0.00 61.00 63.86 2qtc s PRO 783 Cb -0.38 -3.05 -0.09 0.00 0.02 0.00 0.00 34.50 31.00 2qtc s PRO 783 CO 0.37 -0.54 1.02 1.03 -0.33 0.00 0.00 177.00 178.55 2qtc s ARG 784 N -0.57 4.14 -0.17 5.54 0.52 -1.26 -5.04 118.95 122.10 2qtc s ARG 784 Ca 0.61 1.40 -0.05 0.00 -0.52 0.00 0.00 55.73 57.16 2qtc s ARG 784 Cb -0.45 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.58 2qtc s ARG 784 CO 0.47 -0.14 0.00 0.08 0.02 0.00 0.00 175.30 175.73 2qtc s VAL 785 N -1.81 4.17 0.44 3.52 1.01 -1.26 -4.82 120.40 121.65 2qtc s VAL 785 Ca 0.60 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.08 2qtc s VAL 785 Cb -0.18 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 2qtc s VAL 785 CO 0.23 0.47 1.31 -2.65 0.00 0.00 0.00 175.10 174.46 2qtc n PRO 786 N 3.70 1.98 -0.20 2.72 -0.02 -1.26 -4.79 135.00 137.12 2qtc n PRO 786 Ca -0.17 0.71 0.01 0.00 -2.02 0.00 0.00 63.50 62.02 2qtc n PRO 786 Cb 0.52 -2.46 0.11 0.00 -0.02 0.00 0.00 33.50 31.65 2qtc n PRO 786 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2qtc h TYR 787 N 2.06 0.13 -0.61 6.00 3.20 -1.90 -0.19 116.97 125.66 2qtc h TYR 787 Ca -0.49 0.04 0.10 0.00 3.14 0.00 0.00 58.73 61.52 2qtc h TYR 787 Cb 1.29 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 39.56 2qtc h TYR 787 CO 0.48 -0.07 0.41 0.97 -1.64 0.00 0.00 178.16 178.30 2qtc h ILE 788 N 0.21 0.90 0.00 1.81 2.10 -1.90 0.26 117.51 120.89 2qtc h ILE 788 Ca 0.32 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 66.11 2qtc h ILE 788 Cb 0.49 0.44 0.00 0.00 -1.09 0.00 0.00 36.82 36.66 2qtc h ILE 788 CO -0.44 0.08 0.00 0.00 -1.08 0.00 0.00 178.15 176.71 2qtc h ALA 789 N 1.69 1.00 0.07 0.18 0.00 -1.20 -0.48 119.26 120.52 2qtc h ALA 789 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.94 2qtc h ALA 789 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2qtc h ALA 789 CO -0.08 0.00 -1.10 1.96 0.00 0.00 0.00 179.25 180.03 2qtc h GLN 790 N 0.00 0.29 0.23 0.00 4.20 0.15 -3.34 115.11 116.64 2qtc h GLN 790 Ca 0.00 -0.41 -0.31 0.00 0.06 0.00 0.00 58.65 57.99 2qtc h GLN 790 Cb 0.82 0.14 0.03 0.00 0.30 0.00 0.00 27.48 28.78 2qtc h GLN 790 CO 0.00 1.14 -1.40 0.28 -0.67 0.00 0.00 178.83 178.18 2qtc h VAL 791 N 0.12 1.28 -2.93 -0.54 2.07 -1.02 -3.47 116.25 111.75 2qtc h VAL 791 Ca -0.10 -2.65 -0.46 0.00 0.82 0.00 0.00 66.70 64.31 2qtc h VAL 791 Cb 1.79 3.04 0.08 0.00 -1.52 0.00 0.00 31.29 34.69 2qtc h VAL 791 CO 0.18 0.80 0.15 -0.04 0.02 0.00 0.00 177.57 178.68 2qtc s MET 792 N -2.57 1.89 0.00 1.57 -1.94 -0.21 -4.94 119.30 113.11 2qtc s MET 792 Ca -0.11 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.17 2qtc s MET 792 Cb 0.04 -2.26 0.00 0.00 2.01 0.00 0.00 34.83 34.62 2qtc s MET 792 CO 0.92 -1.35 0.00 0.27 -0.01 0.00 0.00 175.02 174.85 2qtc n ASN 793 N -2.87 1.19 -1.01 3.03 0.23 -1.26 -4.86 115.26 109.71 2qtc n ASN 793 Ca 0.11 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.28 2qtc n ASN 793 Cb 0.60 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.46 2qtc n ASN 793 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2qtc n ASP 794 N 0.00 3.15 -4.77 0.53 5.75 -1.26 -4.08 116.55 115.87 2qtc n ASP 794 Ca 0.00 -1.95 -0.39 0.00 -0.01 0.00 0.00 54.79 52.43 2qtc n ASP 794 Cb 0.00 -0.13 -0.01 0.00 -1.03 0.00 0.00 41.12 39.95 2qtc n ASP 794 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qtc s ALA 795 N -1.63 3.26 0.04 2.12 0.00 -1.26 -4.23 121.76 120.06 2qtc s ALA 795 Ca 0.32 1.13 -0.38 0.00 0.00 0.00 0.00 51.96 53.03 2qtc s ALA 795 Cb 0.20 -3.44 -0.18 0.00 0.00 0.00 0.00 23.12 19.70 2qtc s ALA 795 CO 0.29 -0.67 1.28 -0.35 0.00 0.00 0.00 175.76 176.31 2qtc n PRO 796 N 0.26 0.78 -4.48 0.00 -0.04 -1.26 -4.29 135.00 125.97 2qtc n PRO 796 Ca 0.03 0.28 -0.30 0.00 -0.04 0.00 0.00 63.50 63.47 2qtc n PRO 796 Cb 0.44 -1.88 -0.12 0.00 -0.04 0.00 0.00 33.50 31.91 2qtc n PRO 796 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qtc s ALA 797 N 0.49 2.72 -0.01 0.55 0.00 -0.48 -0.16 121.76 124.88 2qtc s ALA 797 Ca 0.87 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 51.63 2qtc s ALA 797 Cb -1.06 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.27 2qtc s ALA 797 CO 0.51 0.59 -0.07 0.08 0.00 0.00 0.00 175.76 176.87 2qtc s VAL 798 N -1.03 0.57 0.04 0.00 1.01 -0.02 -1.00 120.40 119.97 2qtc s VAL 798 Ca 0.17 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 61.89 2qtc s VAL 798 Cb -0.11 -0.48 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 2qtc s VAL 798 CO 0.08 0.16 -0.13 0.00 0.00 0.00 0.00 175.10 175.21 2qtc s ALA 799 N -0.16 1.09 -0.02 5.51 0.00 0.11 -0.56 121.76 127.73 2qtc s ALA 799 Ca 0.03 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.15 2qtc s ALA 799 Cb -0.03 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2qtc s ALA 799 CO -0.00 0.19 0.07 0.45 0.00 0.00 0.00 175.76 176.47 2qtc s SER 800 N -1.18 -0.06 0.32 0.00 0.15 -0.50 -0.88 113.70 111.56 2qtc s SER 800 Ca 0.00 0.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.73 2qtc s SER 800 Cb -0.08 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2qtc s SER 800 CO 0.01 -0.05 0.46 0.42 1.20 0.00 0.00 173.24 175.29 2qtc s THR 801 N -0.06 0.00 -1.77 6.45 -4.23 -1.22 -3.60 115.64 111.22 2qtc s THR 801 Ca -0.01 -1.58 0.12 0.00 -1.18 0.00 0.00 61.69 59.04 2qtc s THR 801 Cb -0.01 -2.58 0.40 0.00 1.34 0.00 0.00 72.50 71.65 2qtc s THR 801 CO 0.00 0.00 1.30 -0.67 -0.54 0.00 0.00 174.62 174.71 2qtc n ASP 802 N -1.21 2.54 -4.65 3.99 2.03 -1.26 -4.23 116.55 113.76 2qtc n ASP 802 Ca 0.00 -2.09 -0.26 0.00 0.52 0.00 0.00 54.79 52.97 2qtc n ASP 802 Cb 0.62 -0.34 -0.09 0.00 -0.72 0.00 0.00 41.12 40.58 2qtc n ASP 802 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2qtc s TYR 803 N -1.52 2.54 0.71 -0.67 1.51 -1.26 -1.54 117.35 117.12 2qtc s TYR 803 Ca 0.29 -0.58 -0.16 0.00 -1.01 0.00 0.00 57.07 55.61 2qtc s TYR 803 Cb 0.16 -1.74 0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2qtc s TYR 803 CO 0.18 0.38 1.22 0.00 -1.11 0.00 0.00 175.55 176.22 2qtc n MET 804 N -1.03 0.75 -0.35 -0.62 0.00 0.71 -0.70 117.12 115.87 2qtc n MET 804 Ca -0.04 0.32 0.25 0.00 0.00 0.00 0.00 57.70 58.24 2qtc n MET 804 Cb 0.65 -2.45 0.51 0.00 0.00 0.00 0.00 33.22 31.92 2qtc n MET 804 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2qtc h LYS 805 N -0.01 0.31 -0.40 3.17 1.57 -1.82 0.01 116.57 119.39 2qtc h LYS 805 Ca -0.49 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.38 2qtc h LYS 805 Cb 1.33 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 2qtc h LYS 805 CO 0.50 0.21 0.29 1.25 -0.57 0.00 0.00 179.45 181.12 2qtc h LEU 806 N 0.32 0.06 -0.96 2.94 5.85 -1.95 0.18 115.31 121.74 2qtc h LEU 806 Ca 0.71 0.00 0.12 0.00 0.84 0.00 0.00 57.88 59.54 2qtc h LEU 806 Cb 1.76 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.70 2qtc h LEU 806 CO -0.48 0.03 0.59 0.15 -0.34 0.00 0.00 178.44 178.39 2qtc h PHE 807 N 0.06 1.06 0.00 1.25 3.57 -1.30 -0.42 116.94 121.16 2qtc h PHE 807 Ca 0.19 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 61.47 2qtc h PHE 807 Cb 0.68 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 2qtc h PHE 807 CO -0.00 0.42 -1.86 0.00 -2.23 0.00 0.00 178.31 174.63 2qtc n ALA 808 N -2.36 1.73 0.26 2.41 0.00 -0.38 -4.24 120.51 117.93 2qtc n ALA 808 Ca 0.18 -0.86 0.13 0.00 0.00 0.00 0.00 53.44 52.88 2qtc n ALA 808 Cb 0.34 -0.66 0.69 0.00 0.00 0.00 0.00 19.45 19.82 2qtc n ALA 808 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qtc h GLU 809 N 0.00 0.00 -0.04 0.00 5.08 -0.21 -3.12 114.58 116.30 2qtc h GLU 809 Ca -0.31 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2qtc h GLU 809 Cb 1.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.13 2qtc h GLU 809 CO 0.05 0.13 0.16 -0.56 -1.00 0.00 0.00 179.01 177.79 2qtc h GLN 810 N 0.00 0.00 -0.24 2.33 3.07 -1.26 0.91 115.11 119.91 2qtc h GLN 810 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2qtc h GLN 810 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 2qtc h GLN 810 CO 0.02 0.00 0.00 1.33 0.09 0.00 0.00 178.83 180.27 2qtc n VAL 811 N -3.19 0.30 -0.32 1.86 0.24 -1.18 -4.64 118.33 111.40 2qtc n VAL 811 Ca -0.02 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2qtc n VAL 811 Cb 0.23 0.98 0.06 0.00 -1.47 0.00 0.00 33.84 33.65 2qtc n VAL 811 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 2qtc h ARG 812 N 4.06 -0.03 -0.74 7.34 9.65 -1.00 0.15 114.38 133.80 2qtc h ARG 812 Ca 0.00 0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.07 2qtc h ARG 812 Cb 0.88 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.43 2qtc h ARG 812 CO 0.00 -0.02 0.51 1.15 2.80 0.00 0.00 179.97 184.41 2qtc h THR 813 N -0.03 0.69 0.00 0.20 2.02 -1.82 -2.53 112.91 111.44 2qtc h THR 813 Ca 0.36 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.48 2qtc h THR 813 Cb 0.61 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2qtc h THR 813 CO -0.90 0.03 -1.12 -1.22 0.37 0.00 0.00 175.52 172.68 2qtc n TYR 814 N -4.40 0.33 -2.22 3.16 4.01 0.47 -4.86 117.16 113.65 2qtc n TYR 814 Ca 0.15 0.10 -0.43 0.00 -0.16 0.00 0.00 57.90 57.56 2qtc n TYR 814 Cb 0.70 -0.51 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 2qtc n TYR 814 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qtc s VAL 815 N -3.25 3.94 -0.24 -0.72 1.01 -0.87 -4.07 120.40 116.20 2qtc s VAL 815 Ca 0.02 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2qtc s VAL 815 Cb 0.14 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2qtc s VAL 815 CO 0.81 -0.13 0.69 -0.81 0.00 0.00 0.00 175.10 175.67 2qtc n PRO 816 N 6.94 0.79 -4.27 2.72 -0.04 -1.26 -4.84 135.00 135.04 2qtc n PRO 816 Ca 0.16 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.34 2qtc n PRO 816 Cb 0.44 -1.18 -0.09 0.00 -0.04 0.00 0.00 33.50 32.63 2qtc n PRO 816 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qtc s ALA 817 N -0.09 2.95 0.32 0.55 0.00 -1.26 -4.21 121.76 120.02 2qtc s ALA 817 Ca 0.00 -1.40 0.07 0.00 0.00 0.00 0.00 51.96 50.63 2qtc s ALA 817 Cb 0.00 -0.79 0.53 0.00 0.00 0.00 0.00 23.12 22.87 2qtc s ALA 817 CO 0.00 0.52 1.75 -0.44 0.00 0.00 0.00 175.76 177.59 2qtc h ASP 818 N 3.11 0.25 -3.60 0.00 3.32 -1.89 -3.42 116.42 114.20 2qtc h ASP 818 Ca -0.47 -0.09 -0.68 0.00 0.02 0.00 0.00 57.03 55.80 2qtc h ASP 818 Cb 1.19 -0.07 -0.31 0.00 0.22 0.00 0.00 39.33 40.36 2qtc h ASP 818 CO 0.53 0.58 -0.86 -1.81 -1.72 0.00 0.00 179.24 175.96 2qtc s ASP 819 N -6.87 3.24 -0.29 6.45 1.01 -1.26 -5.07 116.67 113.88 2qtc s ASP 819 Ca -0.05 -0.50 -0.01 0.00 0.71 0.00 0.00 52.55 52.70 2qtc s ASP 819 Cb 0.14 -1.21 0.12 0.00 1.01 0.00 0.00 42.92 42.98 2qtc s ASP 819 CO 0.76 0.20 0.25 -0.47 0.21 0.00 0.00 175.17 176.12 2qtc s TYR 820 N 0.12 -0.24 -0.11 4.23 5.04 -1.25 -1.38 117.35 123.76 2qtc s TYR 820 Ca -0.11 -0.36 -0.09 0.00 -2.44 0.00 0.00 57.07 54.07 2qtc s TYR 820 Cb -0.16 -0.58 -0.04 0.00 0.35 0.00 0.00 41.96 41.53 2qtc s TYR 820 CO 0.06 -0.89 0.20 1.03 -1.34 0.00 0.00 175.55 174.61 2qtc s ARG 821 N 2.29 3.70 -0.12 4.97 0.52 -0.17 -4.99 118.95 125.16 2qtc s ARG 821 Ca 0.09 -0.03 0.02 0.00 -0.52 0.00 0.00 55.73 55.29 2qtc s ARG 821 Cb -0.14 -3.25 0.01 0.00 0.52 0.00 0.00 34.95 32.09 2qtc s ARG 821 CO -0.34 0.65 -0.17 0.08 0.02 0.00 0.00 175.30 175.54 2qtc s VAL 822 N -0.70 1.63 0.03 3.52 1.01 -1.26 -0.72 120.40 123.91 2qtc s VAL 822 Ca 0.16 -0.72 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 2qtc s VAL 822 Cb -0.13 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2qtc s VAL 822 CO 0.05 0.47 0.14 -0.76 0.00 0.00 0.00 175.10 175.00 2qtc s LEU 823 N 0.94 4.14 0.19 3.92 1.43 -0.06 -4.94 118.68 124.30 2qtc s LEU 823 Ca -0.07 0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 53.01 2qtc s LEU 823 Cb -0.15 -2.59 0.06 0.00 0.03 0.00 0.00 46.19 43.54 2qtc s LEU 823 CO -0.02 0.22 0.93 -0.83 0.23 0.00 0.00 176.35 176.89 2qtc s GLY 824 N -2.12 -0.11 -0.58 -3.19 0.00 -1.26 -3.40 107.32 96.66 2qtc s GLY 824 Ca 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 2qtc s GLY 824 CO 0.20 0.36 2.06 -1.30 0.00 0.00 0.00 173.10 174.43 2qtc n THR 825 N -0.51 3.39 -1.71 0.90 -2.24 0.13 -4.64 114.28 109.60 2qtc n THR 825 Ca -0.05 -2.68 -0.39 0.00 -2.27 0.00 0.00 64.05 58.65 2qtc n THR 825 Cb 0.60 -1.23 0.03 0.00 -2.10 0.00 0.00 70.33 67.63 2qtc n THR 825 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qtc n ASP 826 N -0.49 2.39 0.00 3.42 9.92 -1.26 -4.57 116.55 125.96 2qtc n ASP 826 Ca 0.53 1.01 0.00 0.00 -0.53 0.00 0.00 54.79 55.80 2qtc n ASP 826 Cb 0.61 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 2qtc n ASP 826 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2qtc n GLY 827 N 0.85 3.00 3.78 0.44 0.00 -1.26 -3.39 105.19 108.60 2qtc n GLY 827 Ca 0.09 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 2qtc n GLY 827 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qtc s PHE 828 N -2.91 3.30 1.07 1.61 0.08 -1.26 -4.94 117.98 114.92 2qtc s PHE 828 Ca 0.00 1.65 -0.15 0.00 0.12 0.00 0.00 56.93 58.54 2qtc s PHE 828 Cb 0.00 -3.18 0.22 0.00 -0.57 0.00 0.00 43.02 39.49 2qtc s PHE 828 CO 0.00 -0.69 1.13 0.20 -0.10 0.00 0.00 175.22 175.76 2qtc s GLY 829 N -1.40 1.59 0.08 4.36 0.00 -1.26 -4.96 107.32 105.73 2qtc s GLY 829 Ca 0.55 -0.71 -0.26 0.00 0.00 0.00 0.00 44.72 44.30 2qtc s GLY 829 CO 0.31 0.02 0.88 1.09 0.00 0.00 0.00 173.10 175.40 2qtc s ARG 830 N -5.28 1.05 -0.00 2.90 1.70 -1.26 -3.24 118.95 114.81 2qtc s ARG 830 Ca 0.68 -0.48 -0.25 0.00 -0.47 0.00 0.00 55.73 55.21 2qtc s ARG 830 Cb -0.13 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 2qtc s ARG 830 CO 0.56 -0.47 0.78 -1.12 -1.08 0.00 0.00 175.30 173.97 2qtc s SER 831 N -2.70 7.17 -0.07 -2.89 0.01 -1.26 -4.20 113.70 109.76 2qtc s SER 831 Ca 0.08 1.40 -0.26 0.00 1.31 0.00 0.00 55.95 58.48 2qtc s SER 831 Cb -0.01 -2.47 0.08 0.00 0.21 0.00 0.00 66.02 63.83 2qtc s SER 831 CO -0.04 -0.08 1.17 -0.67 0.41 0.00 0.00 173.24 174.02 2qtc n ASP 832 N 3.34 -0.92 -4.78 2.44 -0.08 -0.85 -4.99 116.55 110.71 2qtc n ASP 832 Ca -0.00 -1.07 -0.31 0.00 -1.51 0.00 0.00 54.79 51.90 2qtc n ASP 832 Cb 0.51 1.39 0.08 0.00 2.34 0.00 0.00 41.12 45.44 2qtc n ASP 832 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2qtc s SER 833 N -3.55 4.72 0.22 1.67 1.04 -1.26 -3.68 113.70 112.85 2qtc s SER 833 Ca 0.28 1.82 -0.09 0.00 0.48 0.00 0.00 55.95 58.43 2qtc s SER 833 Cb -0.00 -2.52 0.20 0.00 0.10 0.00 0.00 66.02 63.79 2qtc s SER 833 CO -0.02 -1.89 1.88 0.03 0.98 0.00 0.00 173.24 174.22 2qtc h ARG 834 N -0.91 1.04 -0.23 4.02 3.08 -1.92 -1.72 114.38 117.74 2qtc h ARG 834 Ca -0.44 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.57 2qtc h ARG 834 Cb 1.23 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 2qtc h ARG 834 CO 0.52 0.69 0.10 1.49 -1.07 0.00 0.00 179.97 181.70 2qtc h GLU 835 N 1.07 0.21 -0.39 0.04 4.81 -1.92 -0.15 114.58 118.25 2qtc h GLU 835 Ca 0.30 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 2qtc h GLU 835 Cb -0.09 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2qtc h GLU 835 CO -0.08 0.14 -0.01 -0.91 -0.73 0.00 0.00 179.01 177.42 2qtc h ASN 836 N 0.22 0.59 0.13 1.04 2.35 -1.85 -2.22 115.58 115.84 2qtc h ASN 836 Ca 0.10 -0.13 -0.19 0.00 -0.55 0.00 0.00 56.30 55.53 2qtc h ASN 836 Cb 0.04 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 2qtc h ASN 836 CO -0.08 0.67 -0.71 -0.07 -1.65 0.00 0.00 177.43 175.59 2qtc h LEU 837 N 0.59 0.60 -1.43 1.61 3.38 -1.04 0.00 115.31 119.03 2qtc h LEU 837 Ca 0.12 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 2qtc h LEU 837 Cb 0.40 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2qtc h LEU 837 CO 0.02 1.13 -0.05 0.03 0.09 0.00 0.00 178.44 179.67 2qtc h ARG 838 N 0.36 0.00 0.09 1.13 3.08 -0.80 0.14 114.38 118.38 2qtc h ARG 838 Ca -0.03 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.73 2qtc h ARG 838 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 2qtc h ARG 838 CO 0.13 0.05 -1.53 1.25 -1.07 0.00 0.00 179.97 178.79 2qtc h HIS 839 N 0.00 0.36 -0.53 3.04 2.76 -1.27 -1.72 115.15 117.80 2qtc h HIS 839 Ca -0.00 -0.27 0.05 0.00 -2.20 0.00 0.00 60.37 57.95 2qtc h HIS 839 Cb 0.54 -0.01 -0.05 0.00 1.55 0.00 0.00 27.41 29.44 2qtc h HIS 839 CO 0.00 1.60 0.26 1.25 -1.30 0.00 0.00 177.93 179.74 2qtc h HIS 840 N -0.34 0.48 -0.04 5.26 -0.00 -0.69 -1.57 115.15 118.23 2qtc h HIS 840 Ca -0.34 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.05 2qtc h HIS 840 Cb 1.74 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 29.01 2qtc h HIS 840 CO 0.11 0.22 0.00 1.19 -0.00 0.00 0.00 177.93 179.45 2qtc n PHE 841 N -4.89 0.06 -3.74 5.26 3.72 0.45 -4.74 117.46 113.58 2qtc n PHE 841 Ca 0.05 -0.03 -0.23 0.00 -0.05 0.00 0.00 57.45 57.20 2qtc n PHE 841 Cb 0.15 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.71 2qtc n PHE 841 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2qtc n GLU 842 N -0.49 -4.17 0.00 -1.08 1.02 -0.59 -4.52 120.64 110.80 2qtc n GLU 842 Ca 0.12 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 2qtc n GLU 842 Cb 0.11 -4.96 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 2qtc n GLU 842 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 2qtc n VAL 843 N -4.26 0.00 -1.18 2.62 0.24 -0.87 -4.48 118.33 110.39 2qtc n VAL 843 Ca -0.28 -0.30 -0.30 0.00 -2.04 0.00 0.00 64.34 61.42 2qtc n VAL 843 Cb 0.67 1.11 0.23 0.00 -1.47 0.00 0.00 33.84 34.39 2qtc n VAL 843 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 2qtc s ASP 844 N -0.43 1.15 0.27 -1.34 1.47 -0.70 -4.74 116.67 112.34 2qtc s ASP 844 Ca 0.00 0.58 -0.01 0.00 1.18 0.00 0.00 52.55 54.30 2qtc s ASP 844 Cb 0.00 -0.79 0.50 0.00 -0.34 0.00 0.00 42.92 42.29 2qtc s ASP 844 CO 0.00 -3.98 1.80 0.00 0.68 0.00 0.00 175.17 173.68 2qtc h ALA 845 N -2.48 1.34 -0.82 2.11 0.00 -1.92 -1.92 119.26 115.58 2qtc h ALA 845 Ca -0.45 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2qtc h ALA 845 Cb 1.29 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 2qtc h ALA 845 CO 0.34 0.08 0.53 0.66 0.00 0.00 0.00 179.25 180.87 2qtc h SER 846 N 0.82 0.95 0.38 0.00 4.64 -1.92 -1.60 113.55 116.83 2qtc h SER 846 Ca 0.46 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.59 2qtc h SER 846 Cb 0.51 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2qtc h SER 846 CO -0.29 0.70 -0.63 1.88 -0.87 0.00 0.00 176.83 177.62 2qtc h TYR 847 N 1.12 0.31 -0.36 4.77 -1.99 -1.70 -1.67 116.97 117.45 2qtc h TYR 847 Ca 0.30 -0.13 -0.05 0.00 2.00 0.00 0.00 58.73 60.86 2qtc h TYR 847 Cb -0.11 -0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.55 2qtc h TYR 847 CO 0.00 0.81 0.05 0.28 -0.00 0.00 0.00 178.16 179.30 2qtc h VAL 848 N 0.18 1.24 -0.27 -2.88 2.07 -0.89 -0.31 116.25 115.39 2qtc h VAL 848 Ca -0.01 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 2qtc h VAL 848 Cb 1.15 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 2qtc h VAL 848 CO 0.10 0.29 0.14 0.58 0.02 0.00 0.00 177.57 178.70 2qtc h VAL 849 N 0.44 1.13 -0.40 2.57 2.07 -1.24 -1.12 116.25 119.70 2qtc h VAL 849 Ca 0.11 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.25 2qtc h VAL 849 Cb 0.38 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 2qtc h VAL 849 CO 0.01 0.13 0.13 0.58 0.02 0.00 0.00 177.57 178.44 2qtc h VAL 850 N 0.31 1.17 -0.45 2.57 2.07 -1.16 -0.27 116.25 120.49 2qtc h VAL 850 Ca 0.09 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.99 2qtc h VAL 850 Cb 0.08 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 2qtc h VAL 850 CO -0.01 0.21 -0.03 0.00 0.02 0.00 0.00 177.57 177.75 2qtc h ALA 851 N 1.58 0.62 -0.03 1.67 0.00 -0.55 -1.53 119.26 121.01 2qtc h ALA 851 Ca 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2qtc h ALA 851 Cb 0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qtc h ALA 851 CO -0.01 0.44 -0.02 0.00 0.00 0.00 0.00 179.25 179.66 2qtc h ALA 852 N 0.90 0.05 -0.75 0.00 0.00 -0.78 -2.78 119.26 115.90 2qtc h ALA 852 Ca 0.12 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.89 2qtc h ALA 852 Cb 0.54 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2qtc h ALA 852 CO 0.03 -0.22 0.49 -0.07 0.00 0.00 0.00 179.25 179.48 2qtc h LEU 853 N -0.32 0.65 -0.97 0.00 3.38 -1.03 -1.16 115.31 115.86 2qtc h LEU 853 Ca 0.01 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2qtc h LEU 853 Cb 0.45 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2qtc h LEU 853 CO 0.01 0.41 0.64 1.23 0.09 0.00 0.00 178.44 180.81 2qtc h GLY 854 N 0.73 1.38 1.02 0.83 0.00 -1.09 0.05 103.07 105.99 2qtc h GLY 854 Ca 0.33 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 2qtc h GLY 854 CO -0.12 0.47 -0.22 0.83 0.00 0.00 0.00 176.54 177.51 2qtc h GLU 855 N 1.29 0.81 -0.60 4.80 5.08 -0.96 -1.96 114.58 123.05 2qtc h GLU 855 Ca 0.37 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 2qtc h GLU 855 Cb -0.11 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 2qtc h GLU 855 CO -0.09 1.00 0.09 -0.07 -1.00 0.00 0.00 179.01 178.94 2qtc h LEU 856 N 0.61 0.92 -0.86 1.33 3.38 -1.01 -1.81 115.31 117.87 2qtc h LEU 856 Ca 0.08 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 2qtc h LEU 856 Cb 0.78 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2qtc h LEU 856 CO 0.06 0.93 -0.10 0.00 0.09 0.00 0.00 178.44 179.42 2qtc h ALA 857 N 1.18 1.04 -0.44 1.53 0.00 -0.92 0.10 119.26 121.75 2qtc h ALA 857 Ca 0.19 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2qtc h ALA 857 Cb 0.41 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2qtc h ALA 857 CO 0.01 0.58 -0.09 -0.22 0.00 0.00 0.00 179.25 179.53 2qtc h LYS 858 N 0.67 0.78 0.00 0.00 3.64 -1.04 -1.62 116.57 119.00 2qtc h LYS 858 Ca 0.12 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2qtc h LYS 858 Cb 0.57 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 2qtc h LYS 858 CO 0.04 0.85 0.00 0.54 -2.27 0.00 0.00 179.45 178.60 2qtc n ARG 859 N -4.17 0.08 0.00 1.90 1.74 -0.71 -4.92 116.66 110.58 2qtc n ARG 859 Ca 0.02 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 2qtc n ARG 859 Cb 0.35 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 2qtc n ARG 859 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qtc n GLY 860 N 1.11 1.76 0.22 -0.13 0.00 -0.16 -4.94 105.19 103.04 2qtc n GLY 860 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 2qtc n GLY 860 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qtc h GLU 861 N 3.01 0.37 -5.98 1.61 5.08 -1.31 -3.43 114.58 113.93 2qtc h GLU 861 Ca 0.00 -0.02 -0.59 0.00 -1.00 0.00 0.00 59.36 57.75 2qtc h GLU 861 Cb 0.00 -0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.05 2qtc h GLU 861 CO 0.00 0.25 -0.62 0.96 -1.00 0.00 0.00 179.01 178.60 2qtc s ILE 862 N -6.11 2.53 0.18 3.13 -4.36 -1.19 -4.98 121.20 110.40 2qtc s ILE 862 Ca -0.13 -1.99 -0.29 0.00 -0.26 0.00 0.00 60.65 57.98 2qtc s ILE 862 Cb 0.16 -2.79 -0.08 0.00 1.25 0.00 0.00 42.46 41.00 2qtc s ILE 862 CO 0.74 -0.18 0.90 -0.62 0.24 0.00 0.00 174.94 176.01 2qtc s ASP 863 N -3.71 7.53 0.58 4.36 -1.08 -1.26 -4.22 116.67 118.87 2qtc s ASP 863 Ca 0.35 1.82 0.27 0.00 -0.52 0.00 0.00 52.55 54.47 2qtc s ASP 863 Cb 0.01 -2.57 1.64 0.00 -1.46 0.00 0.00 42.92 40.54 2qtc s ASP 863 CO 0.19 0.11 2.14 0.11 0.52 0.00 0.00 175.17 178.24 2qtc h LYS 864 N 4.59 0.00 0.00 4.34 1.57 -1.96 0.94 116.57 126.05 2qtc h LYS 864 Ca -0.45 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.29 2qtc h LYS 864 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2qtc h LYS 864 CO 0.69 0.00 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.17 2qtc h LYS 865 N 0.00 0.00 0.00 3.15 3.64 -1.99 -1.07 116.57 120.30 2qtc h LYS 865 Ca 0.07 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 2qtc h LYS 865 Cb 0.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2qtc h LYS 865 CO -0.00 0.18 -0.50 -0.39 -2.27 0.00 0.00 179.45 176.47 2qtc h VAL 866 N 0.00 1.03 -0.09 2.00 -1.51 -1.19 -0.45 116.25 116.04 2qtc h VAL 866 Ca -0.00 -1.95 -0.02 0.00 -1.23 0.00 0.00 66.70 63.49 2qtc h VAL 866 Cb 0.35 2.17 -0.00 0.00 -2.13 0.00 0.00 31.29 31.68 2qtc h VAL 866 CO 0.02 0.49 -0.03 0.58 -1.23 0.00 0.00 177.57 177.41 2qtc h VAL 867 N 0.00 1.30 -0.73 7.19 2.07 -1.27 -0.64 116.25 124.16 2qtc h VAL 867 Ca -0.00 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.60 2qtc h VAL 867 Cb 1.13 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 32.59 2qtc h VAL 867 CO 0.06 0.27 0.45 0.00 0.02 0.00 0.00 177.57 178.37 2qtc h ALA 868 N 0.67 0.97 0.00 1.67 0.00 -1.09 -1.55 119.26 119.93 2qtc h ALA 868 Ca 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2qtc h ALA 868 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2qtc h ALA 868 CO 0.01 0.21 -0.37 -0.44 0.00 0.00 0.00 179.25 178.66 2qtc h ASP 869 N 0.86 0.00 -0.37 0.00 3.32 -0.95 -2.80 116.42 116.48 2qtc h ASP 869 Ca 0.30 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.20 2qtc h ASP 869 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2qtc h ASP 869 CO -0.13 0.37 -0.35 0.00 -1.72 0.00 0.00 179.24 177.40 2qtc h ALA 870 N 1.63 0.55 -0.56 3.45 0.00 -0.19 -0.65 119.26 123.48 2qtc h ALA 870 Ca -0.00 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.52 2qtc h ALA 870 Cb 0.78 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2qtc h ALA 870 CO 0.05 0.62 0.28 0.82 0.00 0.00 0.00 179.25 181.03 2qtc h ILE 871 N 0.71 0.94 -0.06 0.00 2.04 -1.06 -0.82 117.51 119.26 2qtc h ILE 871 Ca 0.06 -0.18 -0.25 0.00 1.00 0.00 0.00 64.86 65.49 2qtc h ILE 871 Cb 0.94 0.35 0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2qtc h ILE 871 CO 0.09 0.10 -0.93 0.00 0.00 0.00 0.00 178.15 177.41 2qtc h ALA 872 N 1.31 0.23 -0.62 1.87 0.00 -1.47 -1.50 119.26 119.08 2qtc h ALA 872 Ca 0.25 -0.66 0.06 0.00 0.00 0.00 0.00 54.91 54.56 2qtc h ALA 872 Cb 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 2qtc h ALA 872 CO -0.18 0.69 0.41 -0.22 0.00 0.00 0.00 179.25 179.95 2qtc h LYS 873 N 0.45 0.61 -0.42 0.00 3.64 -0.75 -1.87 116.57 118.23 2qtc h LYS 873 Ca -0.09 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2qtc h LYS 873 Cb 1.57 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 2qtc h LYS 873 CO 0.18 0.40 0.00 1.19 -2.27 0.00 0.00 179.45 178.96 2qtc n PHE 874 N -4.47 0.55 -3.58 1.91 3.72 -0.34 -4.95 117.46 110.30 2qtc n PHE 874 Ca 0.09 -0.27 -0.20 0.00 -0.05 0.00 0.00 57.45 57.01 2qtc n PHE 874 Cb 0.22 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.82 2qtc n PHE 874 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qtc n ASN 875 N 1.00 -2.37 -4.66 4.37 3.02 -0.70 -4.96 115.26 110.95 2qtc n ASN 875 Ca 0.18 -0.69 -0.36 0.00 -0.03 0.00 0.00 54.58 53.67 2qtc n ASN 875 Cb 0.46 -4.65 -0.09 0.00 -0.61 0.00 0.00 39.78 34.88 2qtc n ASN 875 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qtc s ILE 876 N -3.46 5.36 -0.63 2.41 1.01 -0.57 -5.04 121.20 120.27 2qtc s ILE 876 Ca 0.11 0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.72 2qtc s ILE 876 Cb -0.05 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 38.98 2qtc s ILE 876 CO 0.77 0.35 0.95 -0.62 0.00 0.00 0.00 174.94 176.38 2qtc s ASP 877 N 1.02 6.20 0.46 3.58 -1.08 -1.26 -4.69 116.67 120.90 2qtc s ASP 877 Ca 0.08 -0.87 0.31 0.00 -0.52 0.00 0.00 52.55 51.55 2qtc s ASP 877 Cb -0.13 -2.42 1.48 0.00 -1.46 0.00 0.00 42.92 40.39 2qtc s ASP 877 CO 0.04 -1.38 1.94 0.00 0.52 0.00 0.00 175.17 176.29 2qtc h ALA 878 N 9.50 1.00 -0.17 3.66 0.00 -1.96 -3.11 119.26 128.18 2qtc h ALA 878 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2qtc h ALA 878 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2qtc h ALA 878 CO 1.16 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 180.16 2qtc n ASP 879 N -2.70 2.86 -4.78 0.00 8.00 -1.26 -5.01 116.55 113.66 2qtc n ASP 879 Ca -0.00 -2.49 -0.32 0.00 0.71 0.00 0.00 54.79 52.69 2qtc n ASP 879 Cb 0.18 -0.30 0.07 0.00 -0.02 0.00 0.00 41.12 41.05 2qtc n ASP 879 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2qtc s LYS 880 N -1.87 2.54 0.63 -1.24 -2.85 -1.18 -4.95 119.74 110.82 2qtc s LYS 880 Ca 0.25 1.22 -0.18 0.00 -1.00 0.00 0.00 55.97 56.26 2qtc s LYS 880 Cb 0.18 -1.93 -0.02 0.00 -2.06 0.00 0.00 37.83 34.01 2qtc s LYS 880 CO 0.08 -1.43 1.21 0.54 0.10 0.00 0.00 175.35 175.84 2qtc s VAL 881 N -2.73 2.57 0.12 1.79 0.11 -1.26 -4.89 120.40 116.11 2qtc s VAL 881 Ca 0.63 0.33 -0.33 0.00 -2.93 0.00 0.00 61.98 59.68 2qtc s VAL 881 Cb -0.18 -3.06 -0.12 0.00 -1.53 0.00 0.00 36.38 31.50 2qtc s VAL 881 CO 0.51 -0.10 1.75 -3.20 -3.33 0.00 0.00 175.10 170.73 2qtc n ASN 882 N -1.90 3.66 -0.23 3.54 2.85 -1.26 -4.78 115.26 117.14 2qtc n ASN 882 Ca 0.13 1.02 0.28 0.00 -0.11 0.00 0.00 54.58 55.91 2qtc n ASN 882 Cb 0.50 -1.49 0.68 0.00 1.24 0.00 0.00 39.78 40.71 2qtc n ASN 882 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2qtc h PRO 883 N 7.59 0.09 -0.03 1.20 0.11 -1.85 0.15 132.00 139.26 2qtc h PRO 883 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2qtc h PRO 883 Cb 1.24 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qtc h PRO 883 CO 0.93 0.06 -0.04 -0.09 -0.21 0.00 0.00 178.00 178.65 2qtc h ARG 884 N 0.09 0.04 0.00 1.05 2.43 -1.88 -2.23 114.38 113.87 2qtc h ARG 884 Ca 0.48 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 2qtc h ARG 884 Cb 1.74 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.28 2qtc h ARG 884 CO -0.06 0.08 -1.18 1.28 -1.51 0.00 0.00 179.97 178.58 2qtc n LEU 885 N -4.47 0.56 0.00 3.80 7.99 0.46 -4.54 117.00 120.82 2qtc n LEU 885 Ca -0.02 0.03 0.02 0.00 -0.01 0.00 0.00 56.01 56.02 2qtc n LEU 885 Cb 0.14 -0.07 0.10 0.00 -0.11 0.00 0.00 43.42 43.48 2qtc n LEU 885 CO 0.35 0.00 0.34 0.00 -1.51 0.00 0.00 177.39 176.57