#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3r n LYS 8 N 0.00 0.70 0.00 -0.67 4.76 -1.26 -2.65 118.16 119.04 2h3r n LYS 8 Ca 0.00 0.20 0.15 0.00 -2.87 0.00 0.00 58.31 55.79 2h3r n LYS 8 Cb 0.00 -1.65 0.72 0.00 -1.84 0.00 0.00 35.03 32.26 2h3r n LYS 8 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2h3r n THR 9 N -3.25 0.00 -0.09 -0.18 -2.24 -1.26 -1.59 114.28 105.68 2h3r n THR 9 Ca -0.33 -0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.26 2h3r n THR 9 Cb 1.05 -0.45 -0.13 0.00 -2.10 0.00 0.00 70.33 68.69 2h3r n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2h3r n TYR 10 N -1.30 0.38 0.01 4.78 4.19 -1.26 -3.95 117.16 120.02 2h3r n TYR 10 Ca 0.13 0.08 0.03 0.00 3.31 0.00 0.00 57.90 61.46 2h3r n TYR 10 Cb 0.26 -1.05 0.41 0.00 0.49 0.00 0.00 39.34 39.45 2h3r n TYR 10 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 2h3r h GLU 11 N 0.02 0.50 -1.23 2.98 4.81 -1.43 -2.56 114.58 117.67 2h3r h GLU 11 Ca -0.53 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 2h3r h GLU 11 Cb 1.96 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.23 2h3r h GLU 11 CO -0.03 0.38 0.00 -1.91 -0.73 0.00 0.00 179.01 176.72 2h3r n GLU 12 N -4.43 0.42 0.00 1.92 4.07 -0.62 -3.68 120.64 118.32 2h3r n GLU 12 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 2h3r n GLU 12 Cb 0.10 -1.27 0.00 0.00 -0.06 0.00 0.00 31.44 30.22 2h3r n GLU 12 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2h3r n VAL 14 N 0.64 0.00 0.12 6.31 0.31 -0.97 -2.03 118.33 122.71 2h3r n VAL 14 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2h3r n VAL 14 Cb 0.18 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.03 2h3r n VAL 14 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2h3r h LYS 15 N 0.00 -0.23 -0.61 5.55 1.57 -1.86 -2.80 116.57 118.20 2h3r h LYS 15 Ca 0.00 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 2h3r h LYS 15 Cb 0.00 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.28 2h3r h LYS 15 CO 0.00 -0.09 0.14 1.49 -0.57 0.00 0.00 179.45 180.42 2h3r h GLU 16 N -0.31 0.27 -0.62 3.15 4.57 -1.73 -0.31 114.58 119.59 2h3r h GLU 16 Ca -0.02 -0.02 0.17 0.00 -1.18 0.00 0.00 59.36 58.31 2h3r h GLU 16 Cb 0.24 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 2h3r h GLU 16 CO 0.04 0.18 0.44 0.28 -1.18 0.00 0.00 179.01 178.77 2h3r h VAL 17 N 0.28 0.70 0.00 0.32 2.07 -1.77 -2.22 116.25 115.63 2h3r h VAL 17 Ca 0.32 -0.01 -0.33 0.00 0.82 0.00 0.00 66.70 67.50 2h3r h VAL 17 Cb 0.47 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 2h3r h VAL 17 CO -0.39 0.01 -2.30 -1.84 0.02 0.00 0.00 177.57 173.06 2h3r n GLU 18 N -4.37 0.81 -0.11 1.57 0.28 -0.31 -2.80 120.64 115.72 2h3r n GLU 18 Ca 0.12 -0.02 0.10 0.00 -0.16 0.00 0.00 57.16 57.19 2h3r n GLU 18 Cb 0.67 -1.50 0.45 0.00 1.43 0.00 0.00 31.44 32.49 2h3r n GLU 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2h3r h ARG 19 N 0.00 0.50 0.01 3.44 3.08 -0.84 0.16 114.38 120.74 2h3r h ARG 19 Ca -0.48 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 2h3r h ARG 19 Cb 2.10 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 32.03 2h3r h ARG 19 CO 0.03 0.33 -0.00 -0.07 -1.07 0.00 0.00 179.97 179.18 2h3r h LEU 20 N 0.52 -0.01 0.00 3.04 3.38 -1.54 -1.11 115.31 119.59 2h3r h LEU 20 Ca 0.28 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2h3r h LEU 20 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2h3r h LEU 20 CO -0.09 0.63 0.00 2.29 0.09 0.00 0.00 178.44 181.36 2h3r n LYS 21 N -4.79 0.18 -0.06 1.13 2.85 -1.02 -0.04 118.16 116.41 2h3r n LYS 21 Ca -0.09 0.11 -0.05 0.00 -1.05 0.00 0.00 58.31 57.23 2h3r n LYS 21 Cb 0.32 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.17 2h3r n LYS 21 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2h3r h LEU 22 N 0.00 0.00 -0.62 -5.58 5.85 -0.59 -3.19 115.31 111.18 2h3r h LEU 22 Ca 0.00 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2h3r h LEU 22 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 2h3r h LEU 22 CO 0.00 0.71 0.00 1.05 -0.34 0.00 0.00 178.44 179.86 2h3r h GLU 23 N -1.00 0.00 0.00 1.25 4.11 -1.11 -2.54 114.58 115.29 2h3r h GLU 23 Ca -0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.31 2h3r h GLU 23 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2h3r h GLU 23 CO -0.02 0.00 -0.45 -0.91 0.07 0.00 0.00 179.01 177.71 2h3r h ASN 24 N 0.00 0.00 0.99 3.06 2.35 -0.59 0.62 115.58 122.01 2h3r h ASN 24 Ca 0.00 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 2h3r h ASN 24 Cb 0.66 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 2h3r h ASN 24 CO 0.00 0.45 -1.01 0.11 -1.65 0.00 0.00 177.43 175.32 2h3r h LYS 25 N 0.00 0.01 -0.27 0.81 1.57 -1.45 -0.64 116.57 116.59 2h3r h LYS 25 Ca -0.00 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.58 2h3r h LYS 25 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 2h3r h LYS 25 CO 0.06 1.00 -0.58 1.15 -0.57 0.00 0.00 179.45 180.51 2h3r h THR 26 N 0.00 1.27 -0.34 -0.16 2.02 -1.06 -2.39 112.91 112.26 2h3r h THR 26 Ca -0.02 -1.76 -0.12 0.00 0.77 0.00 0.00 66.41 65.28 2h3r h THR 26 Cb 1.78 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.85 2h3r h THR 26 CO 0.13 0.57 -0.28 -0.07 0.37 0.00 0.00 175.52 176.24 2h3r h LEU 27 N 0.65 0.72 -0.93 2.58 3.38 0.26 -2.84 115.31 119.14 2h3r h LEU 27 Ca 0.01 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 2h3r h LEU 27 Cb 1.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2h3r h LEU 27 CO 0.13 0.96 -0.09 0.11 0.09 0.00 0.00 178.44 179.64 2h3r h LYS 28 N 0.60 0.69 0.70 1.13 1.57 -0.99 -1.71 116.57 118.55 2h3r h LYS 28 Ca 0.08 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 2h3r h LYS 28 Cb 0.78 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.03 2h3r h LYS 28 CO 0.06 0.77 -0.33 1.96 -0.57 0.00 0.00 179.45 181.34 2h3r h GLN 29 N 0.63 -0.90 -0.79 3.15 4.20 -1.30 -2.29 115.11 117.82 2h3r h GLN 29 Ca 0.11 0.06 0.19 0.00 0.06 0.00 0.00 58.65 59.07 2h3r h GLN 29 Cb 0.52 0.20 -0.14 0.00 0.30 0.00 0.00 27.48 28.37 2h3r h GLN 29 CO 0.03 -0.60 0.02 0.87 -0.67 0.00 0.00 178.83 178.48 2h3r h LYS 30 N -1.06 0.10 -0.93 1.46 1.57 -1.50 0.21 116.57 116.42 2h3r h LYS 30 Ca -0.10 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.76 2h3r h LYS 30 Cb 0.72 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.94 2h3r h LYS 30 CO 0.16 0.07 0.60 0.28 -0.57 0.00 0.00 179.45 179.99 2h3r h VAL 31 N 0.10 1.01 0.00 0.50 2.07 -1.23 -1.84 116.25 116.87 2h3r h VAL 31 Ca 0.44 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2h3r h VAL 31 Cb 0.80 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2h3r h VAL 31 CO -0.69 0.18 0.00 0.29 0.02 0.00 0.00 177.57 177.37 2h3r n LYS 32 N -4.52 0.69 -3.13 1.57 5.02 0.74 -3.48 118.16 115.06 2h3r n LYS 32 Ca 0.15 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.23 2h3r n LYS 32 Cb 0.26 -1.22 -0.04 0.00 -0.02 0.00 0.00 35.03 34.01 2h3r n LYS 32 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2h3r n SER 33 N 0.49 2.02 0.00 4.39 7.64 -0.69 -5.07 113.62 122.41 2h3r n SER 33 Ca 0.00 -3.21 0.00 0.00 1.01 0.00 0.00 58.87 56.67 2h3r n SER 33 Cb 0.29 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 2h3r n SER 33 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2h3r n SER 34 N 0.25 0.00 -4.78 6.43 7.64 -1.23 -5.08 113.62 116.85 2h3r n SER 34 Ca 0.27 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.79 2h3r n SER 34 Cb 0.55 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.68 2h3r n SER 34 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2h3r s SER 42 N 0.00 6.36 0.35 6.43 0.01 -1.26 -5.05 113.70 120.53 2h3r s SER 42 Ca 0.00 0.42 -0.29 0.00 1.31 0.00 0.00 55.95 57.39 2h3r s SER 42 Cb 0.00 -2.12 -0.11 0.00 0.21 0.00 0.00 66.02 64.01 2h3r s SER 42 CO 0.00 0.24 1.41 -0.63 0.41 0.00 0.00 173.24 174.67 2h3r s ILE 43 N -0.13 2.38 0.33 1.44 1.09 -1.26 -5.01 121.20 120.04 2h3r s ILE 43 Ca 0.13 0.37 -0.07 0.00 -1.10 0.00 0.00 60.65 59.98 2h3r s ILE 43 Cb -0.12 -3.24 -0.06 0.00 -1.06 0.00 0.00 42.46 37.98 2h3r s ILE 43 CO 0.02 0.09 0.63 -0.76 -0.10 0.00 0.00 174.94 174.82 2h3r s LEU 44 N -1.79 3.98 0.32 2.97 1.02 -1.26 -5.12 118.68 118.81 2h3r s LEU 44 Ca 0.52 0.86 0.10 0.00 0.02 0.00 0.00 54.13 55.64 2h3r s LEU 44 Cb -0.43 -3.70 -0.06 0.00 0.02 0.00 0.00 46.19 42.01 2h3r s LEU 44 CO 0.57 -0.26 -0.12 0.42 0.02 0.00 0.00 176.35 176.97 2h3r s THR 45 N -2.18 2.34 0.21 5.49 -4.23 -1.26 -4.98 115.64 111.02 2h3r s THR 45 Ca 0.47 -2.26 -0.10 0.00 -1.18 0.00 0.00 61.69 58.62 2h3r s THR 45 Cb -0.11 -2.55 0.14 0.00 1.34 0.00 0.00 72.50 71.33 2h3r s THR 45 CO 0.30 -0.26 1.81 0.00 -0.54 0.00 0.00 174.62 175.93 2h3r h ALA 46 N 2.09 0.88 -0.32 3.99 0.00 -1.99 0.38 119.26 124.29 2h3r h ALA 46 Ca -0.41 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2h3r h ALA 46 Cb 1.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2h3r h ALA 46 CO 0.67 0.06 0.11 0.00 0.00 0.00 0.00 179.25 180.09 2h3r h ALA 47 N 1.34 0.42 -0.42 0.00 0.00 -1.97 0.28 119.26 118.90 2h3r h ALA 47 Ca 0.29 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2h3r h ALA 47 Cb 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2h3r h ALA 47 CO -0.17 0.05 0.07 -0.22 0.00 0.00 0.00 179.25 178.98 2h3r h LYS 48 N 0.36 0.69 0.13 0.00 1.63 -1.82 0.73 116.57 118.29 2h3r h LYS 48 Ca 0.10 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 2h3r h LYS 48 Cb 0.24 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2h3r h LYS 48 CO -0.00 0.72 -0.06 -0.09 -3.45 0.00 0.00 179.45 176.56 2h3r h ARG 49 N 0.54 -0.17 -1.00 1.90 2.43 -0.13 0.21 114.38 118.16 2h3r h ARG 49 Ca 0.13 0.01 0.41 0.00 -0.81 0.00 0.00 59.98 59.72 2h3r h ARG 49 Cb 0.36 0.04 -0.18 0.00 -0.42 0.00 0.00 29.97 29.77 2h3r h ARG 49 CO 0.01 -0.11 0.54 1.49 -1.51 0.00 0.00 179.97 180.39 2h3r h GLU 50 N -0.18 0.04 -0.06 0.20 4.57 -0.45 0.13 114.58 118.82 2h3r h GLU 50 Ca -0.02 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 2h3r h GLU 50 Cb 0.13 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 2h3r h GLU 50 CO 0.03 0.02 -0.23 1.03 -1.18 0.00 0.00 179.01 178.68 2h3r h SER 51 N 0.04 0.32 -0.33 1.04 0.87 -0.63 -2.04 113.55 112.81 2h3r h SER 51 Ca 0.84 -0.63 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 2h3r h SER 51 Cb 2.18 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 64.04 2h3r h SER 51 CO -0.75 0.89 -0.08 0.40 -0.53 0.00 0.00 176.83 176.76 2h3r h ILE 52 N -0.24 1.28 -0.07 2.23 1.08 0.12 -2.87 117.51 119.04 2h3r h ILE 52 Ca -0.01 -1.12 -0.02 0.00 -0.39 0.00 0.00 64.86 63.31 2h3r h ILE 52 Cb 0.87 1.33 -0.00 0.00 -3.07 0.00 0.00 36.82 35.95 2h3r h ILE 52 CO 0.05 0.36 -0.05 0.40 -0.69 0.00 0.00 178.15 178.23 2h3r h ILE 53 N 0.41 1.35 0.00 -0.67 5.03 -0.97 -1.86 117.51 120.80 2h3r h ILE 53 Ca 0.08 -1.12 0.00 0.00 -0.12 0.00 0.00 64.86 63.70 2h3r h ILE 53 Cb 0.57 1.95 0.00 0.00 -3.03 0.00 0.00 36.82 36.31 2h3r h ILE 53 CO 0.03 0.31 0.00 0.58 -0.68 0.00 0.00 178.15 178.39 2h3r h VAL 54 N -0.25 0.00 0.10 1.67 2.07 -1.45 0.22 116.25 118.60 2h3r h VAL 54 Ca 0.01 -0.15 -0.18 0.00 0.82 0.00 0.00 66.70 67.20 2h3r h VAL 54 Cb 0.52 1.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2h3r h VAL 54 CO 0.01 0.00 -0.87 -1.28 0.02 0.00 0.00 177.57 175.45 2h3r h SER 55 N 0.00 0.34 -0.47 0.57 0.87 -1.37 -2.99 113.55 110.50 2h3r h SER 55 Ca 0.00 -0.91 -0.12 0.00 -1.23 0.00 0.00 61.79 59.53 2h3r h SER 55 Cb 0.16 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2h3r h SER 55 CO 0.00 1.40 -0.18 0.28 -0.53 0.00 0.00 176.83 177.79 2h3r h SER 56 N -0.50 0.99 -0.65 6.23 0.02 -0.59 -2.15 113.55 116.90 2h3r h SER 56 Ca -0.18 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.40 2h3r h SER 56 Cb 1.55 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 2h3r h SER 56 CO 0.08 1.14 0.32 0.28 -1.14 0.00 0.00 176.83 177.51 2h3r h SER 57 N 0.85 0.84 0.77 3.07 0.02 -0.73 -0.47 113.55 117.89 2h3r h SER 57 Ca 0.12 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2h3r h SER 57 Cb 0.75 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 2h3r h SER 57 CO 0.06 0.72 -0.14 0.03 -1.14 0.00 0.00 176.83 176.36 2h3r h ARG 58 N 0.89 0.00 0.16 3.45 3.08 -1.38 0.16 114.38 120.74 2h3r h ARG 58 Ca 0.22 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2h3r h ARG 58 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2h3r h ARG 58 CO -0.03 0.14 -0.08 0.00 -1.07 0.00 0.00 179.97 178.94 2h3r h ALA 59 N 1.86 -0.22 -0.89 0.04 0.00 -0.60 -2.67 119.26 116.79 2h3r h ALA 59 Ca -0.00 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.82 2h3r h ALA 59 Cb 0.56 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2h3r h ALA 59 CO 0.02 -0.27 0.57 -0.07 0.00 0.00 0.00 179.25 179.50 2h3r h LEU 60 N -0.93 0.71 -0.19 0.00 3.38 -0.95 -1.38 115.31 115.97 2h3r h LEU 60 Ca -0.02 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2h3r h LEU 60 Cb 0.49 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2h3r h LEU 60 CO 0.04 0.39 0.05 1.23 0.09 0.00 0.00 178.44 180.23 2h3r h GLY 61 N 0.77 0.21 0.75 0.83 0.00 -0.67 -0.49 103.07 104.47 2h3r h GLY 61 Ca 0.43 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.79 2h3r h GLY 61 CO -0.19 0.01 0.47 0.00 0.00 0.00 0.00 176.54 176.83 2h3r h ALA 62 N 1.13 1.05 -0.36 3.60 0.00 -0.90 -2.31 119.26 121.47 2h3r h ALA 62 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2h3r h ALA 62 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2h3r h ALA 62 CO -0.10 0.21 0.13 0.28 0.00 0.00 0.00 179.25 179.77 2h3r h VAL 63 N 0.88 1.20 0.00 0.00 2.07 -0.97 -0.29 116.25 119.13 2h3r h VAL 63 Ca 0.33 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2h3r h VAL 63 Cb 0.14 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 2h3r h VAL 63 CO -0.16 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.65 2h3r n ALA 64 N -2.30 1.34 0.00 1.67 0.00 -0.24 -1.52 120.51 119.46 2h3r n ALA 64 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2h3r n ALA 64 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 2h3r n ALA 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2h3r n ARG 66 N 0.84 0.00 0.01 0.00 0.63 -0.12 -0.02 116.66 118.00 2h3r n ARG 66 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 2h3r n ARG 66 Cb 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 2h3r n ARG 66 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 2h3r h LYS 67 N 0.00 0.53 -0.41 -0.14 1.57 -1.54 -3.22 116.57 113.35 2h3r h LYS 67 Ca 0.00 -0.54 0.08 0.00 -1.87 0.00 0.00 60.65 58.32 2h3r h LYS 67 Cb 0.00 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.36 2h3r h LYS 67 CO 0.00 1.17 -0.33 0.82 -0.57 0.00 0.00 179.45 180.54 2h3r h ILE 68 N 0.10 0.23 -0.64 1.86 2.04 -0.70 0.47 117.51 120.87 2h3r h ILE 68 Ca -0.08 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.96 2h3r h ILE 68 Cb 1.41 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 2h3r h ILE 68 CO 0.14 0.00 0.47 -0.08 0.00 0.00 0.00 178.15 178.68 2h3r h GLU 69 N -0.25 0.00 -0.02 2.37 4.81 -1.79 -0.48 114.58 119.22 2h3r h GLU 69 Ca 0.17 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.31 2h3r h GLU 69 Cb 0.54 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.92 2h3r h GLU 69 CO -0.54 0.00 -0.36 0.00 -0.73 0.00 0.00 179.01 177.38 2h3r h ALA 70 N 1.67 0.07 0.00 2.92 0.00 -0.15 -2.16 119.26 121.62 2h3r h ALA 70 Ca 0.31 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2h3r h ALA 70 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2h3r h ALA 70 CO -0.00 0.18 0.00 1.63 0.00 0.00 0.00 179.25 181.06 2h3r n LYS 71 N -4.41 0.08 -0.09 0.00 5.02 -0.25 -2.34 118.16 116.18 2h3r n LYS 71 Ca -0.10 0.30 -0.13 0.00 -2.02 0.00 0.00 58.31 56.36 2h3r n LYS 71 Cb 0.55 -1.65 -0.07 0.00 -0.02 0.00 0.00 35.03 33.84 2h3r n LYS 71 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2h3r h VAL 72 N 0.00 0.54 -0.41 -0.18 2.07 -1.09 -2.98 116.25 114.20 2h3r h VAL 72 Ca 0.00 -1.63 0.12 0.00 0.82 0.00 0.00 66.70 66.01 2h3r h VAL 72 Cb 0.32 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2h3r h VAL 72 CO 0.00 0.18 0.30 -0.09 0.02 0.00 0.00 177.57 177.98 2h3r h ARG 73 N -1.00 0.00 0.01 1.57 2.43 -1.38 0.72 114.38 116.74 2h3r h ARG 73 Ca -0.16 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.76 2h3r h ARG 73 Cb 0.88 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.45 2h3r h ARG 73 CO -0.10 0.00 -0.98 1.03 -1.51 0.00 0.00 179.97 178.41 2h3r h SER 74 N 0.00 0.84 1.72 -3.80 0.87 -1.60 -2.93 113.55 108.64 2h3r h SER 74 Ca 0.19 -0.75 -0.01 0.00 -1.23 0.00 0.00 61.79 59.99 2h3r h SER 74 Cb 0.79 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2h3r h SER 74 CO -0.00 1.49 -0.29 0.03 -0.53 0.00 0.00 176.83 177.53 2h3r h ARG 75 N 0.28 0.00 0.00 2.24 3.08 -1.15 -3.15 114.38 115.69 2h3r h ARG 75 Ca -0.13 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 2h3r h ARG 75 Cb 1.65 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.69 2h3r h ARG 75 CO 0.19 0.04 -0.26 0.00 -1.07 0.00 0.00 179.97 178.87 2h3r h ALA 76 N 1.96 0.95 0.00 0.04 0.00 0.40 -3.10 119.26 119.50 2h3r h ALA 76 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2h3r h ALA 76 Cb 1.03 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2h3r h ALA 76 CO 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 179.25 179.53 2h3r h ALA 77 N 1.74 1.44 -0.26 0.00 0.00 -1.46 -2.37 119.26 118.34 2h3r h ALA 77 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2h3r h ALA 77 Cb 0.89 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2h3r h ALA 77 CO 0.03 0.06 0.12 -0.22 0.00 0.00 0.00 179.25 179.24 2h3r h LYS 78 N 0.00 0.39 -7.27 0.00 1.63 -1.73 -3.43 116.57 106.16 2h3r h LYS 78 Ca -0.00 -0.06 -0.50 0.00 -0.85 0.00 0.00 60.65 59.24 2h3r h LYS 78 Cb 0.13 -0.07 0.06 0.00 -0.60 0.00 0.00 32.23 31.76 2h3r h LYS 78 CO 0.01 0.40 0.38 0.00 -3.45 0.00 0.00 179.45 176.79 2h3r s ALA 79 N -5.63 2.84 0.00 5.00 0.00 -0.89 -4.98 121.76 118.10 2h3r s ALA 79 Ca -0.13 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2h3r s ALA 79 Cb 0.08 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 20.04 2h3r s ALA 79 CO 0.72 -0.82 0.00 0.28 0.00 0.00 0.00 175.76 175.94 2h3r n VAL 80 N -2.42 0.00 -3.58 0.00 0.31 -1.26 -4.93 118.33 106.44 2h3r n VAL 80 Ca 0.07 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.18 2h3r n VAL 80 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 2h3r n VAL 80 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2h3r s THR 81 N -0.89 2.08 0.20 2.52 -4.23 -1.26 -4.99 115.64 109.07 2h3r s THR 81 Ca 0.00 -1.33 -0.11 0.00 -1.18 0.00 0.00 61.69 59.07 2h3r s THR 81 Cb 0.00 -2.41 0.11 0.00 1.34 0.00 0.00 72.50 71.55 2h3r s THR 81 CO 0.00 0.00 1.82 -0.33 -0.54 0.00 0.00 174.62 175.57 2h3r h GLU 82 N 0.70 0.66 -0.09 3.99 5.08 -2.00 -2.38 114.58 120.53 2h3r h GLU 82 Ca -0.36 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 57.75 2h3r h GLU 82 Cb 1.29 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2h3r h GLU 82 CO 0.53 0.44 -0.77 1.96 -1.00 0.00 0.00 179.01 180.17 2h3r h GLN 83 N 0.68 0.54 -0.16 2.33 4.20 -1.98 -1.46 115.11 119.26 2h3r h GLN 83 Ca 0.26 -0.45 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 2h3r h GLN 83 Cb 0.09 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2h3r h GLN 83 CO -0.14 1.08 0.04 0.93 -0.67 0.00 0.00 178.83 180.07 2h3r h GLU 84 N 0.36 0.26 -0.47 1.46 5.08 -1.95 0.19 114.58 119.51 2h3r h GLU 84 Ca -0.04 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2h3r h GLU 84 Cb 1.37 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 2h3r h GLU 84 CO 0.14 0.41 0.29 1.25 -1.00 0.00 0.00 179.01 180.10 2h3r h LEU 85 N 0.06 0.55 -0.32 1.33 5.85 -1.45 0.50 115.31 121.83 2h3r h LEU 85 Ca 0.05 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2h3r h LEU 85 Cb 0.27 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2h3r h LEU 85 CO 0.00 0.43 0.15 0.74 -0.34 0.00 0.00 178.44 179.42 2h3r h THR 86 N 0.63 1.16 -0.25 1.05 2.02 -1.15 0.12 112.91 116.49 2h3r h THR 86 Ca 0.17 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 2h3r h THR 86 Cb -0.03 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2h3r h THR 86 CO -0.03 0.17 0.14 -1.28 0.37 0.00 0.00 175.52 174.88 2h3r h SER 87 N 0.38 0.32 -0.41 4.18 0.87 -0.24 -2.53 113.55 116.12 2h3r h SER 87 Ca 0.11 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2h3r h SER 87 Cb 0.13 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2h3r h SER 87 CO -0.01 0.32 0.15 0.25 -0.53 0.00 0.00 176.83 177.01 2h3r h LEU 88 N 0.29 0.57 -0.34 2.23 6.46 0.14 -2.86 115.31 121.80 2h3r h LEU 88 Ca 0.09 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 2h3r h LEU 88 Cb 0.08 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.86 2h3r h LEU 88 CO -0.01 0.60 0.00 0.18 -0.62 0.00 0.00 178.44 178.58 2h3r n LEU 89 N -4.62 0.33 0.08 2.25 4.77 0.42 -3.24 117.00 116.99 2h3r n LEU 89 Ca -0.00 -0.17 -0.14 0.00 -0.03 0.00 0.00 56.01 55.67 2h3r n LEU 89 Cb 0.16 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 2h3r n LEU 89 CO 0.37 0.08 0.11 -0.61 -1.33 0.00 0.00 177.39 176.01 2h3r h GLN 90 N 0.01 0.34 -0.10 3.23 4.15 -1.21 -3.40 115.11 118.13 2h3r h GLN 90 Ca 0.00 -0.43 -0.18 0.00 0.77 0.00 0.00 58.65 58.81 2h3r h GLN 90 Cb 0.17 0.14 -0.25 0.00 0.21 0.00 0.00 27.48 27.75 2h3r h GLN 90 CO 0.00 1.13 -0.61 -1.13 -1.93 0.00 0.00 178.83 176.29 2h3r n SER 91 N -3.66 -0.21 -4.70 -0.69 3.41 -1.24 -5.11 113.62 101.41 2h3r n SER 91 Ca -0.07 -2.08 -0.44 0.00 -0.26 0.00 0.00 58.87 56.02 2h3r n SER 91 Cb 0.90 0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 64.97 2h3r n SER 91 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2h3r n LEU 92 N -0.60 3.63 -4.07 1.04 7.94 -1.20 -4.99 117.00 118.75 2h3r n LEU 92 Ca -0.10 1.12 -0.24 0.00 -1.11 0.00 0.00 56.01 55.67 2h3r n LEU 92 Cb 0.86 -1.50 -0.16 0.00 0.53 0.00 0.00 43.42 43.15 2h3r n LEU 92 CO -0.08 -0.15 -0.48 -0.89 -1.11 0.00 0.00 177.39 174.68 2h3r s THR 93 N 0.32 1.19 0.11 1.96 2.01 -1.26 -5.09 115.64 114.87 2h3r s THR 93 Ca 0.70 -0.57 0.06 0.00 0.31 0.00 0.00 61.69 62.19 2h3r s THR 93 Cb -0.59 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 2h3r s THR 93 CO 0.45 0.35 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.82 2h3r s LEU 94 N 0.22 2.35 -0.11 4.42 1.43 -1.26 -5.14 118.68 120.59 2h3r s LEU 94 Ca -0.06 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 52.33 2h3r s LEU 94 Cb -0.12 -0.60 -0.00 0.00 0.03 0.00 0.00 46.19 45.50 2h3r s LEU 94 CO 0.02 -0.09 -0.21 -0.60 0.23 0.00 0.00 176.35 175.70 2h3r s ARG 95 N -2.30 3.12 -0.01 1.70 3.52 -1.26 -5.12 118.95 118.59 2h3r s ARG 95 Ca 0.06 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 54.84 2h3r s ARG 95 Cb -0.07 -2.40 0.00 0.00 -1.56 0.00 0.00 34.95 30.92 2h3r s ARG 95 CO 0.03 0.15 -0.05 0.08 -0.81 0.00 0.00 175.30 174.71 2h3r s VAL 96 N 0.43 0.41 -0.28 7.11 1.01 -1.26 -5.07 120.40 122.75 2h3r s VAL 96 Ca -0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.62 2h3r s VAL 96 Cb -0.17 -0.39 0.03 0.00 0.00 0.00 0.00 36.38 35.85 2h3r s VAL 96 CO 0.06 0.14 0.01 -1.81 0.00 0.00 0.00 175.10 173.50 2h3r s ASP 97 N 0.20 4.76 0.26 3.32 1.01 -1.26 -5.10 116.67 119.87 2h3r s ASP 97 Ca -0.02 -0.97 0.11 0.00 0.71 0.00 0.00 52.55 52.38 2h3r s ASP 97 Cb -0.06 -1.75 -0.05 0.00 1.01 0.00 0.00 42.92 42.08 2h3r s ASP 97 CO -0.00 -0.20 -0.16 0.68 0.21 0.00 0.00 175.17 175.70 2h3r s VAL 98 N 1.35 2.72 0.00 -1.27 -7.23 -1.26 -5.02 120.40 109.69 2h3r s VAL 98 Ca -0.01 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 57.94 2h3r s VAL 98 Cb -0.18 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.34 2h3r s VAL 98 CO -0.01 -0.35 0.00 -0.24 -0.31 0.00 0.00 175.10 174.19 2h3r n SER 99 N -0.55 0.00 0.00 4.85 2.88 -1.26 -5.11 113.62 114.43 2h3r n SER 99 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 2h3r n SER 99 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 2h3r n SER 99 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19