#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3he2 s ILE 2 N 0.00 0.96 -0.08 1.12 -4.36 -1.26 -1.49 121.20 116.08 3he2 s ILE 2 Ca 0.00 -1.54 0.00 0.00 -0.26 0.00 0.00 60.65 58.86 3he2 s ILE 2 Cb 0.00 -1.25 -0.03 0.00 1.25 0.00 0.00 42.46 42.43 3he2 s ILE 2 CO 0.00 -0.48 -0.06 -0.83 0.24 0.00 0.00 174.94 173.81 3he2 s GLY 3 N -2.25 1.70 -0.07 6.27 0.00 0.13 -4.92 107.32 108.19 3he2 s GLY 3 Ca 0.03 -0.88 0.01 0.00 0.00 0.00 0.00 44.72 43.88 3he2 s GLY 3 CO 0.01 -0.57 -0.08 -0.42 0.00 0.00 0.00 173.10 172.03 3he2 s ILE 4 N -0.64 0.86 0.07 0.90 1.01 -1.26 0.40 121.20 122.54 3he2 s ILE 4 Ca 0.10 -0.28 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 3he2 s ILE 4 Cb -0.12 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 3he2 s ILE 4 CO 0.02 0.31 0.12 0.42 0.00 0.00 0.00 174.94 175.80 3he2 s THR 5 N 1.04 0.16 -0.01 2.92 -4.23 -0.86 -5.04 115.64 109.62 3he2 s THR 5 Ca -0.08 -1.30 -0.01 0.00 -1.18 0.00 0.00 61.69 59.12 3he2 s THR 5 Cb -0.14 -1.28 0.01 0.00 1.34 0.00 0.00 72.50 72.43 3he2 s THR 5 CO -0.00 -0.72 0.02 -1.58 -0.54 0.00 0.00 174.62 171.80 3he2 s GLN 6 N -3.57 0.01 -0.05 3.99 0.74 -1.26 -1.35 119.66 118.17 3he2 s GLN 6 Ca 0.03 0.07 -0.10 0.00 0.05 0.00 0.00 55.36 55.41 3he2 s GLN 6 Cb 0.04 -0.05 0.02 0.00 1.10 0.00 0.00 33.01 34.12 3he2 s GLN 6 CO -0.09 -0.04 0.25 0.00 -0.55 0.00 0.00 175.29 174.85 3he2 s ALA 7 N 0.26 -0.61 0.00 1.58 0.00 -0.93 -5.00 121.76 117.06 3he2 s ALA 7 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.38 3he2 s ALA 7 Cb -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.91 3he2 s ALA 7 CO -0.01 -0.18 0.00 -0.85 0.00 0.00 0.00 175.76 174.72 3he2 n GLU 8 N 2.18 0.00 -0.91 0.00 -0.00 -1.26 -0.83 120.64 119.82 3he2 n GLU 8 Ca -0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 57.16 56.94 3he2 n GLU 8 Cb 0.57 0.00 0.18 0.00 -0.00 0.00 0.00 31.44 32.19 3he2 n GLU 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3he2 n ALA 9 N 9.73 4.27 -3.55 -1.84 0.00 -1.26 -4.96 120.51 122.90 3he2 n ALA 9 Ca 0.00 -3.30 -0.35 0.00 0.00 0.00 0.00 53.44 49.79 3he2 n ALA 9 Cb 0.00 -0.59 -0.14 0.00 0.00 0.00 0.00 19.45 18.72 3he2 n ALA 9 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3he2 s VAL 10 N -3.46 3.26 -0.43 0.00 1.01 -0.01 -0.18 120.40 120.58 3he2 s VAL 10 Ca 0.44 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 3he2 s VAL 10 Cb 0.40 -2.52 0.03 0.00 0.00 0.00 0.00 36.38 34.29 3he2 s VAL 10 CO -0.02 0.36 0.38 -0.22 0.00 0.00 0.00 175.10 175.60 3he2 s LEU 11 N 1.44 5.16 -0.21 3.92 2.96 -0.49 -2.19 118.68 129.27 3he2 s LEU 11 Ca 0.05 -0.94 -0.22 0.00 -0.22 0.00 0.00 54.13 52.79 3he2 s LEU 11 Cb -0.15 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.28 3he2 s LEU 11 CO -0.04 -0.56 0.71 -0.89 -1.32 0.00 0.00 176.35 174.25 3he2 s THR 12 N 1.85 4.95 -0.18 3.68 2.01 -0.46 -1.55 115.64 125.96 3he2 s THR 12 Ca 0.07 1.34 -0.04 0.00 0.31 0.00 0.00 61.69 63.37 3he2 s THR 12 Cb -0.20 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 3he2 s THR 12 CO 0.10 0.05 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.43 3he2 s ILE 13 N 2.23 3.97 -0.17 1.82 1.01 0.72 -2.03 121.20 128.75 3he2 s ILE 13 Ca 0.31 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3he2 s ILE 13 Cb -0.16 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.56 3he2 s ILE 13 CO 0.10 0.46 -0.17 -0.70 0.00 0.00 0.00 174.94 174.64 3he2 s GLU 14 N 0.63 3.11 0.16 2.79 2.12 0.16 -1.44 118.70 126.23 3he2 s GLU 14 Ca -0.01 -0.78 -0.31 0.00 0.36 0.00 0.00 54.97 54.22 3he2 s GLU 14 Cb -0.14 -2.63 -0.09 0.00 0.26 0.00 0.00 34.13 31.53 3he2 s GLU 14 CO 0.02 -0.11 1.44 -0.51 -0.54 0.00 0.00 175.26 175.56 3he2 s LEU 15 N 1.11 4.38 -0.48 2.70 1.02 -0.16 -0.70 118.68 126.55 3he2 s LEU 15 Ca 0.00 2.47 0.08 0.00 0.02 0.00 0.00 54.13 56.70 3he2 s LEU 15 Cb -0.14 -3.60 0.32 0.00 0.02 0.00 0.00 46.19 42.80 3he2 s LEU 15 CO -0.06 -0.70 0.79 0.00 0.02 0.00 0.00 176.35 176.40 3he2 n GLN 16 N 3.60 1.98 -2.90 1.70 6.02 -0.56 -1.57 117.38 125.66 3he2 n GLN 16 Ca 0.11 -4.07 -0.23 0.00 -0.01 0.00 0.00 57.00 52.80 3he2 n GLN 16 Cb 0.41 -1.91 -0.02 0.00 1.02 0.00 0.00 30.24 29.73 3he2 n GLN 16 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 3he2 n ARG 17 N 0.26 2.53 0.25 -1.09 0.63 -1.26 -4.00 116.66 113.98 3he2 n ARG 17 Ca 0.27 -4.29 0.08 0.00 -0.92 0.00 0.00 57.85 52.99 3he2 n ARG 17 Cb 0.52 -2.02 0.62 0.00 0.45 0.00 0.00 32.46 32.03 3he2 n ARG 17 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 3he2 h PRO 18 N 2.92 0.00 -0.10 -0.14 0.13 -1.88 0.44 132.00 133.37 3he2 h PRO 18 Ca 0.13 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.29 3he2 h PRO 18 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 3he2 h PRO 18 CO 0.72 0.08 0.13 1.05 -0.23 0.00 0.00 178.00 179.75 3he2 h GLU 19 N 0.00 0.00 0.00 0.86 9.09 -1.94 0.65 114.58 123.24 3he2 h GLU 19 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 3he2 h GLU 19 Cb 0.15 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.19 3he2 h GLU 19 CO 0.01 0.00 -0.43 0.54 0.05 0.00 0.00 179.01 179.18 3he2 n ARG 20 N -3.65 1.13 -3.65 1.06 5.12 -0.70 -4.99 116.66 110.99 3he2 n ARG 20 Ca -0.00 -2.71 -0.25 0.00 -1.93 0.00 0.00 57.85 52.96 3he2 n ARG 20 Cb 0.23 -1.26 0.07 0.00 -1.16 0.00 0.00 32.46 30.34 3he2 n ARG 20 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3he2 n ARG 21 N -0.89 -7.36 -1.33 5.56 3.00 0.22 -1.96 116.66 113.90 3he2 n ARG 21 Ca 0.15 0.78 -0.12 0.00 -0.01 0.00 0.00 57.85 58.65 3he2 n ARG 21 Cb 0.74 -5.80 -0.05 0.00 0.00 0.00 0.00 32.46 27.35 3he2 n ARG 21 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3he2 n ASN 22 N -3.00 -5.33 -4.67 0.55 3.02 0.15 -1.61 115.26 104.37 3he2 n ASN 22 Ca -0.02 0.30 -0.43 0.00 -0.03 0.00 0.00 54.58 54.40 3he2 n ASN 22 Cb 0.57 -4.11 -0.01 0.00 -0.61 0.00 0.00 39.78 35.61 3he2 n ASN 22 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3he2 n ALA 23 N 1.12 1.02 -1.78 5.41 0.00 -0.83 -4.59 120.51 120.86 3he2 n ALA 23 Ca -0.12 0.38 -0.37 0.00 0.00 0.00 0.00 53.44 53.33 3he2 n ALA 23 Cb 0.58 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.78 3he2 n ALA 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3he2 s LEU 24 N -0.49 4.12 0.00 0.00 1.43 0.37 -4.56 118.68 119.55 3he2 s LEU 24 Ca 0.60 2.18 0.04 0.00 -1.03 0.00 0.00 54.13 55.92 3he2 s LEU 24 Cb -0.61 -4.15 -0.02 0.00 0.03 0.00 0.00 46.19 41.44 3he2 s LEU 24 CO 0.58 -0.64 0.20 -0.46 0.23 0.00 0.00 176.35 176.26 3he2 n ASN 25 N -0.13 -0.50 -0.32 2.29 0.23 -1.26 0.19 115.26 115.76 3he2 n ASN 25 Ca 0.05 -2.38 0.04 0.00 -0.53 0.00 0.00 54.58 51.76 3he2 n ASN 25 Cb 0.48 1.13 0.19 0.00 -2.08 0.00 0.00 39.78 39.50 3he2 n ASN 25 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3he2 h SER 26 N 1.30 0.79 -0.00 0.53 0.02 -1.90 -2.31 113.55 111.98 3he2 h SER 26 Ca -0.15 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3he2 h SER 26 Cb 0.76 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.19 3he2 h SER 26 CO 0.22 0.45 -0.00 -0.61 -1.14 0.00 0.00 176.83 175.75 3he2 h GLN 27 N 0.89 0.00 -0.93 3.45 4.15 -1.97 -1.82 115.11 118.89 3he2 h GLN 27 Ca 0.43 -0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.87 3he2 h GLN 27 Cb 0.37 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.00 3he2 h GLN 27 CO -0.24 0.70 0.61 1.25 -1.93 0.00 0.00 178.83 179.21 3he2 h LEU 28 N -0.69 1.02 -0.44 -2.39 5.85 -1.92 -1.68 115.31 115.07 3he2 h LEU 28 Ca -0.00 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 3he2 h LEU 28 Cb 0.70 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3he2 h LEU 28 CO 0.00 0.70 -0.10 0.58 -0.34 0.00 0.00 178.44 179.28 3he2 h VAL 29 N 1.19 1.27 -0.86 1.05 2.07 -1.45 -0.51 116.25 119.02 3he2 h VAL 29 Ca 0.37 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3he2 h VAL 29 Cb -0.02 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3he2 h VAL 29 CO -0.11 0.41 0.50 -0.33 0.02 0.00 0.00 177.57 178.05 3he2 h GLU 30 N 0.67 1.18 -0.37 1.57 3.07 -1.00 -1.05 114.58 118.65 3he2 h GLU 30 Ca 0.11 -0.12 -0.15 0.00 -0.50 0.00 0.00 59.36 58.70 3he2 h GLU 30 Cb 0.64 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.30 3he2 h GLU 30 CO 0.04 0.84 -0.36 0.93 -1.40 0.00 0.00 179.01 179.06 3he2 h GLU 31 N 1.18 0.86 -0.25 2.33 5.08 -1.05 -1.75 114.58 120.97 3he2 h GLU 31 Ca 0.30 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3he2 h GLU 31 Cb -0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3he2 h GLU 31 CO -0.05 1.07 0.09 -0.07 -1.00 0.00 0.00 179.01 179.05 3he2 h LEU 32 N 0.71 0.36 -0.43 1.33 3.38 -0.90 -1.76 115.31 118.00 3he2 h LEU 32 Ca 0.06 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 57.93 3he2 h LEU 32 Cb 0.93 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.51 3he2 h LEU 32 CO 0.09 0.45 -0.06 0.74 0.09 0.00 0.00 178.44 179.74 3he2 h THR 33 N 0.25 0.61 -0.49 0.22 2.02 -1.00 -0.48 112.91 114.04 3he2 h THR 33 Ca 0.08 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 3he2 h THR 33 Cb 0.21 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3he2 h THR 33 CO -0.00 0.01 0.06 1.56 0.37 0.00 0.00 175.52 177.51 3he2 h GLN 34 N 0.04 0.82 -0.30 6.66 1.08 -1.26 -0.57 115.11 121.58 3he2 h GLN 34 Ca 0.21 -0.23 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 3he2 h GLN 34 Cb 0.32 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 3he2 h GLN 34 CO -0.41 0.83 -0.05 0.00 -0.95 0.00 0.00 178.83 178.26 3he2 h ALA 35 N 0.95 1.36 0.14 3.87 0.00 -0.81 -0.93 119.26 123.85 3he2 h ALA 35 Ca 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3he2 h ALA 35 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3he2 h ALA 35 CO 0.01 0.44 -0.07 0.82 0.00 0.00 0.00 179.25 180.45 3he2 h ILE 36 N 0.45 1.01 -0.86 0.00 1.08 -0.56 -2.71 117.51 115.92 3he2 h ILE 36 Ca 0.09 -0.74 0.05 0.00 -0.39 0.00 0.00 64.86 63.88 3he2 h ILE 36 Cb 0.37 1.45 -0.06 0.00 -3.07 0.00 0.00 36.82 35.52 3he2 h ILE 36 CO 0.02 0.17 0.55 0.03 -0.69 0.00 0.00 178.15 178.22 3he2 h ARG 37 N -0.55 1.00 0.00 2.37 3.08 -0.98 -2.43 114.38 116.87 3he2 h ARG 37 Ca -0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3he2 h ARG 37 Cb 0.43 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3he2 h ARG 37 CO 0.03 0.66 0.00 0.87 -1.07 0.00 0.00 179.97 180.47 3he2 h LYS 38 N 1.03 0.00 -6.33 0.04 1.57 -1.21 -3.52 116.57 108.15 3he2 h LYS 38 Ca 0.36 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.60 3he2 h LYS 38 Cb 0.09 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.41 3he2 h LYS 38 CO -0.14 0.00 1.14 0.00 -0.57 0.00 0.00 179.45 179.88 3he2 s ALA 39 N -3.22 3.62 0.00 3.86 0.00 -0.92 -5.06 121.76 120.03 3he2 s ALA 39 Ca 0.08 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.20 3he2 s ALA 39 Cb 0.10 -3.79 0.00 0.00 0.00 0.00 0.00 23.12 19.44 3he2 s ALA 39 CO 0.54 -1.44 0.00 0.45 0.00 0.00 0.00 175.76 175.31 3he2 n SER 43 N 7.09 0.00 -4.84 0.00 2.88 -1.26 -4.88 113.62 112.61 3he2 n SER 43 Ca 0.18 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.40 3he2 n SER 43 Cb 0.42 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.83 3he2 n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3he2 s ALA 44 N -0.38 3.12 0.00 -1.46 0.00 -1.26 -4.84 121.76 116.95 3he2 s ALA 44 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3he2 s ALA 44 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.08 3he2 s ALA 44 CO 0.00 -0.06 0.41 0.54 0.00 0.00 0.00 175.76 176.65 3he2 n ARG 45 N -1.18 0.10 -3.79 0.00 1.74 0.75 -5.01 116.66 109.26 3he2 n ARG 45 Ca 0.06 -0.48 -0.13 0.00 -0.77 0.00 0.00 57.85 56.53 3he2 n ARG 45 Cb 0.54 -0.76 -0.10 0.00 -1.02 0.00 0.00 32.46 31.13 3he2 n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3he2 s ALA 46 N -0.15 -0.64 0.00 7.54 0.00 -1.10 -4.40 121.76 123.01 3he2 s ALA 46 Ca 0.00 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.34 3he2 s ALA 46 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3he2 s ALA 46 CO 0.00 -0.22 -0.21 0.42 0.00 0.00 0.00 175.76 175.75 3he2 s ILE 47 N -0.99 2.50 -0.18 0.00 1.01 -0.50 -1.40 121.20 121.64 3he2 s ILE 47 Ca -0.11 -1.11 0.00 0.00 0.00 0.00 0.00 60.65 59.44 3he2 s ILE 47 Cb -0.05 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.46 3he2 s ILE 47 CO 0.03 0.47 -0.17 -0.69 0.00 0.00 0.00 174.94 174.58 3he2 s VAL 48 N -0.77 2.41 -0.18 2.92 1.01 -0.59 0.15 120.40 125.36 3he2 s VAL 48 Ca 0.12 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 3he2 s VAL 48 Cb -0.10 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 3he2 s VAL 48 CO 0.02 0.52 -0.02 -0.22 0.00 0.00 0.00 175.10 175.39 3he2 s LEU 49 N 1.16 3.22 0.20 3.92 2.96 0.54 -0.20 118.68 130.47 3he2 s LEU 49 Ca 0.01 -0.18 -0.09 0.00 -0.22 0.00 0.00 54.13 53.66 3he2 s LEU 49 Cb -0.14 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 3he2 s LEU 49 CO -0.07 0.12 0.32 0.28 -1.32 0.00 0.00 176.35 175.68 3he2 s THR 50 N 0.67 0.03 0.19 3.68 -1.32 -0.52 0.61 115.64 118.98 3he2 s THR 50 Ca -0.02 -1.47 0.10 0.00 -1.21 0.00 0.00 61.69 59.09 3he2 s THR 50 Cb -0.14 -2.04 -0.04 0.00 -1.51 0.00 0.00 72.50 68.76 3he2 s THR 50 CO 0.02 -0.16 -0.13 -0.83 -2.21 0.00 0.00 174.62 171.32 3he2 s GLY 51 N -3.01 1.73 0.16 6.08 0.00 -1.26 -0.98 107.32 110.03 3he2 s GLY 51 Ca 0.22 -1.54 -0.15 0.00 0.00 0.00 0.00 44.72 43.25 3he2 s GLY 51 CO 0.04 -1.56 0.58 1.62 0.00 0.00 0.00 173.10 173.78 3he2 s GLN 52 N -2.87 4.03 2.80 2.90 0.74 -0.61 -4.84 119.66 121.81 3he2 s GLN 52 Ca 0.24 0.56 0.00 0.00 0.05 0.00 0.00 55.36 56.21 3he2 s GLN 52 Cb -0.08 -2.93 0.00 0.00 1.10 0.00 0.00 33.01 31.10 3he2 s GLN 52 CO 0.14 0.47 0.00 0.41 -0.55 0.00 0.00 175.29 175.76 3he2 n GLY 53 N 0.82 -0.37 0.20 2.59 0.00 -1.26 -4.29 105.19 102.88 3he2 n GLY 53 Ca -0.05 -1.06 0.07 0.00 0.00 0.00 0.00 46.02 44.98 3he2 n GLY 53 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3he2 h THR 54 N 0.00 0.78 -3.23 2.61 1.35 -1.92 -3.45 112.91 109.05 3he2 h THR 54 Ca 0.00 -1.32 -0.64 0.00 -0.55 0.00 0.00 66.41 63.90 3he2 h THR 54 Cb 0.00 1.83 -0.14 0.00 -1.73 0.00 0.00 68.15 68.11 3he2 h THR 54 CO 0.00 0.31 -0.71 0.00 -0.25 0.00 0.00 175.52 174.87 3he2 s ALA 55 N -3.69 3.03 -0.06 6.62 0.00 -1.26 -4.01 121.76 122.39 3he2 s ALA 55 Ca -0.00 -1.33 -0.09 0.00 0.00 0.00 0.00 51.96 50.54 3he2 s ALA 55 Cb 0.11 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 3he2 s ALA 55 CO 0.67 0.56 0.36 0.35 0.00 0.00 0.00 175.76 177.70 3he2 h PHE 56 N 3.18 -0.29 -0.58 0.00 3.57 -1.02 -3.38 116.94 118.42 3he2 h PHE 56 Ca -0.48 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.19 3he2 h PHE 56 Cb 1.19 0.10 -0.21 0.00 2.79 0.00 0.00 35.95 39.81 3he2 h PHE 56 CO 0.62 -0.18 -0.05 0.00 -2.23 0.00 0.00 178.31 176.47 3he2 n ALA 58 N 5.42 2.43 0.00 0.00 0.00 -0.63 -1.61 120.51 126.11 3he2 n ALA 58 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3he2 n ALA 58 Cb 0.53 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3he2 n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3he2 n GLY 59 N 0.99 0.36 3.40 0.00 0.00 -0.92 -4.45 105.19 104.57 3he2 n GLY 59 Ca 0.15 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 3he2 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3he2 s ALA 60 N -1.00 2.51 -0.24 4.61 0.00 -1.26 -0.48 121.76 125.90 3he2 s ALA 60 Ca 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 51.96 50.92 3he2 s ALA 60 Cb 0.00 -0.91 0.08 0.00 0.00 0.00 0.00 23.12 22.29 3he2 s ALA 60 CO 0.00 0.47 0.11 0.34 0.00 0.00 0.00 175.76 176.68 3he2 s ASP 61 N -0.41 3.00 0.00 0.00 -1.08 0.13 -4.80 116.67 113.52 3he2 s ASP 61 Ca 0.04 -0.99 0.20 0.00 -0.52 0.00 0.00 52.55 51.29 3he2 s ASP 61 Cb -0.12 -0.30 0.57 0.00 -1.46 0.00 0.00 42.92 41.60 3he2 s ASP 61 CO 0.02 -0.40 1.48 0.18 0.52 0.00 0.00 175.17 176.97 3he2 n LEU 62 N 5.26 3.45 -4.71 -1.34 4.32 -1.26 -4.31 117.00 118.42 3he2 n LEU 62 Ca -0.06 -1.70 -0.58 0.00 -0.02 0.00 0.00 56.01 53.64 3he2 n LEU 62 Cb 0.45 -0.41 -0.07 0.00 -1.62 0.00 0.00 43.42 41.77 3he2 n LEU 62 CO 0.07 0.85 1.28 -1.20 -1.22 0.00 0.00 177.39 177.17 3he2 n SER 63 N 1.40 2.22 -1.58 -1.43 7.64 -1.26 -1.56 113.62 119.05 3he2 n SER 63 Ca 0.22 1.09 -0.18 0.00 1.01 0.00 0.00 58.87 61.01 3he2 n SER 63 Cb 0.55 -1.12 -0.05 0.00 -1.01 0.00 0.00 64.21 62.58 3he2 n SER 63 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3he2 n GLY 64 N 4.06 1.00 3.48 0.23 0.00 -1.26 -4.95 105.19 107.74 3he2 n GLY 64 Ca 0.26 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3he2 n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3he2 s ASP 65 N -2.60 6.22 0.25 1.61 -1.08 -0.60 -4.91 116.67 115.56 3he2 s ASP 65 Ca 0.00 -0.80 -0.12 0.00 -0.52 0.00 0.00 52.55 51.11 3he2 s ASP 65 Cb 0.00 -2.42 0.35 0.00 -1.46 0.00 0.00 42.92 39.38 3he2 s ASP 65 CO 0.00 -1.38 1.57 0.00 0.52 0.00 0.00 175.17 175.88 3he2 h ALA 66 N 9.50 0.44 -0.93 3.66 0.00 -1.92 -1.21 119.26 128.79 3he2 h ALA 66 Ca -0.28 0.32 -0.51 0.00 0.00 0.00 0.00 54.91 54.45 3he2 h ALA 66 Cb 1.07 0.79 -0.29 0.00 0.00 0.00 0.00 17.79 19.37 3he2 h ALA 66 CO 1.15 -0.47 0.60 1.97 0.00 0.00 0.00 179.25 182.50 3he2 n PHE 67 N -5.55 2.89 -0.33 0.00 -0.00 -1.26 -4.73 117.46 108.48 3he2 n PHE 67 Ca 0.12 -1.99 0.29 0.00 -0.00 0.00 0.00 57.45 55.88 3he2 n PHE 67 Cb 0.44 -0.97 0.55 0.00 -0.00 0.00 0.00 39.48 39.51 3he2 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3he2 h ALA 68 N 1.15 2.14 0.00 1.98 0.00 -1.56 -0.50 119.26 122.47 3he2 h ALA 68 Ca 0.59 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.72 3he2 h ALA 68 Cb 2.46 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 20.51 3he2 h ALA 68 CO 1.10 -0.85 -0.07 0.00 0.00 0.00 0.00 179.25 179.43 3he2 h ALA 69 N 1.92 0.96 0.00 0.00 0.00 -1.86 -2.66 119.26 117.63 3he2 h ALA 69 Ca 0.81 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.66 3he2 h ALA 69 Cb 2.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3he2 h ALA 69 CO -0.69 0.08 0.00 -0.25 0.00 0.00 0.00 179.25 178.40 3he2 n ASP 70 N -3.12 0.00 0.05 0.00 8.00 -0.20 -4.48 116.55 116.80 3he2 n ASP 70 Ca 0.03 0.25 -0.11 0.00 0.71 0.00 0.00 54.79 55.67 3he2 n ASP 70 Cb 0.52 -0.41 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 3he2 n ASP 70 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3he2 h TYR 71 N 0.00 -0.37 0.26 1.24 3.20 -1.47 -2.33 116.97 117.50 3he2 h TYR 71 Ca 0.00 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3he2 h TYR 71 Cb 0.35 0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.76 3he2 h TYR 71 CO 0.00 -0.21 -0.37 -1.35 -1.64 0.00 0.00 178.16 174.58 3he2 h PRO 72 N -0.24 -0.67 -0.83 1.82 0.11 -1.81 0.19 132.00 130.57 3he2 h PRO 72 Ca 0.05 0.05 0.22 0.00 0.11 0.00 0.00 66.00 66.42 3he2 h PRO 72 Cb 0.30 0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.52 3he2 h PRO 72 CO -0.14 -0.45 0.58 -0.44 -0.21 0.00 0.00 178.00 177.34 3he2 h ASP 73 N -0.70 0.18 0.08 -2.05 3.32 -1.85 -0.49 116.42 114.91 3he2 h ASP 73 Ca -0.00 0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.78 3he2 h ASP 73 Cb 0.67 -0.01 0.02 0.00 0.22 0.00 0.00 39.33 40.22 3he2 h ASP 73 CO -0.13 0.07 -1.13 0.03 -1.72 0.00 0.00 179.24 176.36 3he2 h ARG 74 N 0.18 0.65 -0.50 3.56 3.08 -0.69 -2.46 114.38 118.20 3he2 h ARG 74 Ca 0.41 -0.77 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 3he2 h ARG 74 Cb 1.35 0.24 -0.02 0.00 0.08 0.00 0.00 29.97 31.61 3he2 h ARG 74 CO -0.08 1.34 0.31 1.25 -1.07 0.00 0.00 179.97 181.72 3he2 h LEU 75 N 0.33 0.59 -0.41 3.04 5.85 0.51 0.16 115.31 125.38 3he2 h LEU 75 Ca -0.15 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.57 3he2 h LEU 75 Cb 1.79 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.63 3he2 h LEU 75 CO 0.22 0.46 0.16 0.40 -0.34 0.00 0.00 178.44 179.33 3he2 h ILE 76 N 0.67 0.89 -0.61 4.05 1.08 -1.20 -1.79 117.51 120.59 3he2 h ILE 76 Ca 0.18 -0.11 -0.04 0.00 -0.39 0.00 0.00 64.86 64.50 3he2 h ILE 76 Cb -0.03 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.22 3he2 h ILE 76 CO -0.04 0.06 0.22 -0.33 -0.69 0.00 0.00 178.15 177.38 3he2 h GLU 77 N 0.33 0.90 0.10 2.37 4.39 -0.85 -0.31 114.58 121.51 3he2 h GLU 77 Ca 0.19 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3he2 h GLU 77 Cb 0.16 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3he2 h GLU 77 CO -0.18 0.75 -0.09 1.25 -1.16 0.00 0.00 179.01 179.57 3he2 h LEU 78 N 0.88 -0.25 -0.75 1.33 5.85 -0.04 -0.82 115.31 121.52 3he2 h LEU 78 Ca 0.21 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3he2 h LEU 78 Cb 0.20 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 3he2 h LEU 78 CO -0.02 -0.15 0.49 0.45 -0.34 0.00 0.00 178.44 178.88 3he2 h HIS 79 N -0.21 0.94 -0.90 1.25 3.86 -1.09 -1.54 115.15 117.46 3he2 h HIS 79 Ca 0.00 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.30 3he2 h HIS 79 Cb 0.20 -0.32 -0.06 0.00 1.06 0.00 0.00 27.41 28.29 3he2 h HIS 79 CO -0.11 0.60 0.57 0.87 0.86 0.00 0.00 177.93 180.72 3he2 h LYS 80 N 1.01 1.01 -0.21 2.45 1.57 -0.87 -0.81 116.57 120.73 3he2 h LYS 80 Ca 0.27 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.88 3he2 h LYS 80 Cb -0.11 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 31.96 3he2 h LYS 80 CO -0.06 0.67 -0.34 0.00 -0.57 0.00 0.00 179.45 179.14 3he2 h ALA 81 N 1.42 1.02 0.08 3.86 0.00 -0.36 -0.92 119.26 124.36 3he2 h ALA 81 Ca 0.39 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3he2 h ALA 81 Cb 0.17 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.87 3he2 h ALA 81 CO -0.17 0.60 -0.87 0.52 0.00 0.00 0.00 179.25 179.32 3he2 h MET 82 N 0.38 0.45 -0.77 0.00 2.86 -0.97 -2.24 114.93 114.64 3he2 h MET 82 Ca 0.04 -0.59 0.09 0.00 -2.06 0.00 0.00 59.70 57.18 3he2 h MET 82 Cb 0.79 0.19 -0.05 0.00 0.06 0.00 0.00 31.60 32.59 3he2 h MET 82 CO 0.06 1.24 0.51 0.22 1.06 0.00 0.00 176.91 180.00 3he2 h ASP 83 N -0.05 0.66 0.21 1.22 3.58 -1.13 -2.86 116.42 118.04 3he2 h ASP 83 Ca -0.13 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.33 3he2 h ASP 83 Cb 1.61 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.53 3he2 h ASP 83 CO 0.17 0.40 -0.50 0.00 -2.88 0.00 0.00 179.24 176.43 3he2 n ALA 84 N -2.45 3.61 -2.24 -0.78 0.00 -0.35 -4.91 120.51 113.39 3he2 n ALA 84 Ca 0.12 -0.48 -0.42 0.00 0.00 0.00 0.00 53.44 52.67 3he2 n ALA 84 Cb 0.30 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 3he2 n ALA 84 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3he2 s SER 85 N -2.72 7.09 0.00 0.00 0.15 -0.85 -4.88 113.70 112.50 3he2 s SER 85 Ca 0.17 2.12 0.18 0.00 0.70 0.00 0.00 55.95 59.12 3he2 s SER 85 Cb 0.18 -2.59 0.85 0.00 -1.71 0.00 0.00 66.02 62.75 3he2 s SER 85 CO 0.64 -0.41 1.58 -0.81 1.20 0.00 0.00 173.24 175.44 3he2 n PRO 86 N 3.24 0.11 -3.35 5.44 -0.04 -1.26 -4.69 135.00 134.45 3he2 n PRO 86 Ca 0.07 0.16 -0.38 0.00 -0.04 0.00 0.00 63.50 63.30 3he2 n PRO 86 Cb 0.46 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.36 3he2 n PRO 86 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3he2 s MET 87 N -2.83 4.11 0.04 0.54 -1.94 -1.26 -4.48 119.30 113.48 3he2 s MET 87 Ca 0.12 0.61 -0.30 0.00 -1.71 0.00 0.00 55.69 54.41 3he2 s MET 87 Cb 0.12 -3.24 -0.05 0.00 2.01 0.00 0.00 34.83 33.66 3he2 s MET 87 CO 0.31 0.63 1.24 -1.25 -0.01 0.00 0.00 175.02 175.95 3he2 s PRO 88 N -0.99 4.39 -0.29 2.03 0.04 -1.26 -4.90 135.00 134.02 3he2 s PRO 88 Ca 0.27 1.81 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 3he2 s PRO 88 Cb -0.18 -3.40 -0.04 0.00 0.04 0.00 0.00 34.50 30.91 3he2 s PRO 88 CO 0.17 -0.35 0.19 0.08 0.04 0.00 0.00 177.00 177.13 3he2 s VAL 89 N 1.43 5.25 -0.27 -0.36 1.01 -1.26 -1.41 120.40 124.78 3he2 s VAL 89 Ca 0.59 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.49 3he2 s VAL 89 Cb -0.30 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3he2 s VAL 89 CO 0.28 0.22 0.53 -0.69 0.00 0.00 0.00 175.10 175.44 3he2 s VAL 90 N 1.75 5.05 -0.41 2.92 1.01 0.40 -0.71 120.40 130.41 3he2 s VAL 90 Ca 0.07 0.85 -0.29 0.00 0.00 0.00 0.00 61.98 62.61 3he2 s VAL 90 Cb -0.16 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.39 3he2 s VAL 90 CO 0.11 0.05 1.12 -0.83 0.00 0.00 0.00 175.10 175.55 3he2 s GLY 91 N 1.57 1.39 -0.70 4.51 0.00 0.88 -0.34 107.32 114.63 3he2 s GLY 91 Ca 0.21 -0.29 -0.19 0.00 0.00 0.00 0.00 44.72 44.46 3he2 s GLY 91 CO 0.10 2.37 0.83 0.00 0.00 0.00 0.00 173.10 176.40 3he2 s ALA 92 N 4.16 3.46 -0.91 3.20 0.00 0.20 -0.38 121.76 131.48 3he2 s ALA 92 Ca 0.47 -2.45 -0.19 0.00 0.00 0.00 0.00 51.96 49.79 3he2 s ALA 92 Cb -0.09 -3.68 0.12 0.00 0.00 0.00 0.00 23.12 19.47 3he2 s ALA 92 CO 0.25 -2.53 1.14 0.42 0.00 0.00 0.00 175.76 175.04 3he2 s ILE 93 N 2.51 4.63 -1.33 0.00 -1.09 0.31 -4.29 121.20 121.95 3he2 s ILE 93 Ca 0.18 -1.41 0.29 0.00 -2.23 0.00 0.00 60.65 57.48 3he2 s ILE 93 Cb -0.17 -4.80 0.44 0.00 -1.58 0.00 0.00 42.46 36.35 3he2 s ILE 93 CO 0.01 -1.54 1.98 -0.46 -1.23 0.00 0.00 174.94 173.70 3he2 n ASN 94 N 6.84 0.00 -0.60 3.58 6.94 -1.26 -1.04 115.26 129.72 3he2 n ASN 94 Ca 0.22 0.02 0.00 0.00 -0.02 0.00 0.00 54.58 54.81 3he2 n ASN 94 Cb 0.49 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3he2 n ASN 94 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3he2 n GLY 95 N 1.23 0.66 3.62 4.83 0.00 -1.26 -4.69 105.19 109.58 3he2 n GLY 95 Ca 0.12 -0.73 -0.46 0.00 0.00 0.00 0.00 46.02 44.95 3he2 n GLY 95 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3he2 n PRO 96 N 0.00 1.55 -4.08 1.61 -0.02 -1.26 -3.28 135.00 129.52 3he2 n PRO 96 Ca 0.00 0.55 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 3he2 n PRO 96 Cb 0.00 -2.05 -0.15 0.00 -0.02 0.00 0.00 33.50 31.27 3he2 n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3he2 s ALA 97 N -0.54 2.42 -0.02 3.55 0.00 -0.24 -0.93 121.76 126.00 3he2 s ALA 97 Ca 0.65 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3he2 s ALA 97 Cb -0.72 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.02 3he2 s ALA 97 CO 0.55 -0.82 -0.02 0.42 0.00 0.00 0.00 175.76 175.89 3he2 s ILE 98 N 1.20 0.26 0.00 0.00 1.01 -0.64 -2.02 121.20 121.02 3he2 s ILE 98 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3he2 s ILE 98 Cb -0.17 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.02 3he2 s ILE 98 CO -0.09 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.58 3he2 n GLY 99 N 3.54 4.06 0.27 6.18 0.00 -0.82 -1.03 105.19 117.38 3he2 n GLY 99 Ca -0.20 0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.01 3he2 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3he2 h ALA 100 N -0.95 1.31 -0.92 4.61 0.00 -1.87 0.13 119.26 121.57 3he2 h ALA 100 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3he2 h ALA 100 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3he2 h ALA 100 CO 0.00 0.12 0.57 0.78 0.00 0.00 0.00 179.25 180.73 3he2 h GLY 101 N 0.73 1.32 1.13 0.00 0.00 -1.19 0.13 103.07 105.20 3he2 h GLY 101 Ca -0.00 -0.53 -0.22 0.00 0.00 0.00 0.00 47.33 46.58 3he2 h GLY 101 CO 0.01 0.52 -0.79 -2.00 0.00 0.00 0.00 176.54 174.28 3he2 h LEU 102 N 1.26 0.89 -0.66 3.11 5.85 -0.84 -0.44 115.31 124.49 3he2 h LEU 102 Ca 0.33 -0.65 0.10 0.00 0.84 0.00 0.00 57.88 58.50 3he2 h LEU 102 Cb -0.08 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.61 3he2 h LEU 102 CO -0.07 1.41 0.28 -0.61 -0.34 0.00 0.00 178.44 179.11 3he2 h GLN 103 N 0.45 0.46 -0.30 1.25 4.15 -1.25 -0.61 115.11 119.25 3he2 h GLN 103 Ca -0.07 -0.03 -0.12 0.00 0.77 0.00 0.00 58.65 59.21 3he2 h GLN 103 Cb 1.43 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 29.01 3he2 h GLN 103 CO 0.16 0.30 -0.28 1.25 -1.93 0.00 0.00 178.83 178.34 3he2 h LEU 104 N 0.47 0.76 -1.70 -2.39 5.85 -0.74 -2.63 115.31 114.94 3he2 h LEU 104 Ca 0.33 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.64 3he2 h LEU 104 Cb 0.40 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3he2 h LEU 104 CO -0.30 1.07 0.29 0.00 -0.34 0.00 0.00 178.44 179.15 3he2 h ALA 105 N 0.72 1.91 0.00 1.25 0.00 -0.60 -2.34 119.26 120.21 3he2 h ALA 105 Ca 0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3he2 h ALA 105 Cb 0.84 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3he2 h ALA 105 CO 0.07 0.02 -0.59 0.52 0.00 0.00 0.00 179.25 179.27 3he2 h MET 106 N 0.38 0.00 0.00 0.00 2.86 -0.88 -2.65 114.93 114.64 3he2 h MET 106 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3he2 h MET 106 Cb 0.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.90 3he2 h MET 106 CO -0.04 0.59 0.00 0.94 1.06 0.00 0.00 176.91 179.46 3he2 n GLN 107 N -3.29 0.10 -1.54 1.72 -0.06 -0.89 -4.72 117.38 108.70 3he2 n GLN 107 Ca 0.01 0.14 -0.34 0.00 -2.00 0.00 0.00 57.00 54.82 3he2 n GLN 107 Cb 0.75 -1.63 0.08 0.00 -4.06 0.00 0.00 30.24 25.38 3he2 n GLN 107 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3he2 h ASP 109 N -0.19 0.47 -5.32 0.00 3.32 -1.21 -3.47 116.42 110.03 3he2 h ASP 109 Ca -0.47 -0.53 -0.14 0.00 0.02 0.00 0.00 57.03 55.91 3he2 h ASP 109 Cb 1.28 -0.15 -0.15 0.00 0.22 0.00 0.00 39.33 40.53 3he2 h ASP 109 CO 0.51 1.42 -0.62 -0.76 -1.72 0.00 0.00 179.24 178.07 3he2 s LEU 110 N -7.17 1.98 -0.02 1.55 1.43 -1.01 -4.99 118.68 110.44 3he2 s LEU 110 Ca -0.05 -1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 51.99 3he2 s LEU 110 Cb 0.07 0.38 0.03 0.00 0.03 0.00 0.00 46.19 46.69 3he2 s LEU 110 CO 0.89 -0.69 0.02 -0.13 0.23 0.00 0.00 176.35 176.67 3he2 s ARG 111 N -3.97 0.07 -0.16 1.70 0.52 -1.26 -0.09 118.95 115.76 3he2 s ARG 111 Ca 0.15 0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.54 3he2 s ARG 111 Cb 0.07 -0.34 0.01 0.00 0.52 0.00 0.00 34.95 35.21 3he2 s ARG 111 CO -0.04 -0.17 -0.21 0.08 0.02 0.00 0.00 175.30 174.98 3he2 s VAL 112 N 1.13 2.05 -0.05 3.52 1.01 0.48 -1.14 120.40 127.40 3he2 s VAL 112 Ca -0.08 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 60.99 3he2 s VAL 112 Cb -0.13 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 3he2 s VAL 112 CO -0.03 0.54 -0.22 -0.69 0.00 0.00 0.00 175.10 174.71 3he2 s VAL 113 N 1.01 1.80 0.45 2.92 1.01 0.04 -0.53 120.40 127.10 3he2 s VAL 113 Ca -0.02 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 3he2 s VAL 113 Cb -0.14 -1.53 -0.08 0.00 0.00 0.00 0.00 36.38 34.62 3he2 s VAL 113 CO -0.06 0.51 1.09 0.00 0.00 0.00 0.00 175.10 176.64 3he2 s ALA 114 N -0.06 2.97 0.54 5.51 0.00 -0.21 -0.08 121.76 130.43 3he2 s ALA 114 Ca -0.04 0.77 0.31 0.00 0.00 0.00 0.00 51.96 53.00 3he2 s ALA 114 Cb -0.13 -3.31 1.47 0.00 0.00 0.00 0.00 23.12 21.15 3he2 s ALA 114 CO 0.03 -0.44 1.90 -1.35 0.00 0.00 0.00 175.76 175.90 3he2 h PRO 115 N 2.03 0.00 -0.02 0.00 0.11 -1.91 -1.57 132.00 130.65 3he2 h PRO 115 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3he2 h PRO 115 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3he2 h PRO 115 CO 0.60 0.00 -0.43 -0.25 -0.21 0.00 0.00 178.00 177.72 3he2 n ASP 116 N -4.25 1.96 -4.77 -2.05 8.00 -1.26 -4.52 116.55 109.66 3he2 n ASP 116 Ca 0.17 -1.47 -0.33 0.00 0.71 0.00 0.00 54.79 53.87 3he2 n ASP 116 Cb 0.91 0.41 0.04 0.00 -0.02 0.00 0.00 41.12 42.46 3he2 n ASP 116 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3he2 s ALA 117 N -2.45 2.51 0.12 2.24 0.00 -0.59 -4.72 121.76 118.87 3he2 s ALA 117 Ca 0.20 0.58 -0.08 0.00 0.00 0.00 0.00 51.96 52.66 3he2 s ALA 117 Cb 0.18 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 3he2 s ALA 117 CO 0.55 -1.19 0.20 -0.59 0.00 0.00 0.00 175.76 174.74 3he2 s PHE 118 N -2.26 0.33 0.03 0.00 -0.12 -1.26 -3.08 117.98 111.62 3he2 s PHE 118 Ca 0.68 -0.74 0.09 0.00 -0.05 0.00 0.00 56.93 56.91 3he2 s PHE 118 Cb -0.21 -0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.04 3he2 s PHE 118 CO 0.39 -0.60 -0.26 -0.06 -0.05 0.00 0.00 175.22 174.64 3he2 s PHE 119 N -3.92 2.31 -0.25 3.49 0.08 -0.41 -1.08 117.98 118.19 3he2 s PHE 119 Ca 0.12 -0.42 -0.26 0.00 0.12 0.00 0.00 56.93 56.49 3he2 s PHE 119 Cb 0.05 -1.41 0.09 0.00 -0.57 0.00 0.00 43.02 41.17 3he2 s PHE 119 CO -0.05 0.08 0.81 -1.14 -0.10 0.00 0.00 175.22 174.82 3he2 s GLN 120 N -1.08 0.76 -0.57 0.44 0.74 -0.85 -1.07 119.66 118.02 3he2 s GLN 120 Ca 0.11 0.79 -0.04 0.00 0.05 0.00 0.00 55.36 56.27 3he2 s GLN 120 Cb -0.10 0.37 0.15 0.00 1.10 0.00 0.00 33.01 34.53 3he2 s GLN 120 CO 0.01 -0.11 0.39 -0.06 -0.55 0.00 0.00 175.29 174.97 3he2 s PHE 121 N 0.13 3.47 -0.11 1.67 0.08 -1.26 -1.95 117.98 120.01 3he2 s PHE 121 Ca -0.00 -2.54 0.00 0.00 0.12 0.00 0.00 56.93 54.51 3he2 s PHE 121 Cb -0.04 -3.26 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 3he2 s PHE 121 CO -0.00 -0.89 0.94 -0.35 -0.10 0.00 0.00 175.22 174.81 3he2 n PRO 122 N 3.90 0.99 -0.29 0.24 -0.04 -1.26 -4.43 135.00 134.11 3he2 n PRO 122 Ca 0.04 0.00 0.19 0.00 -0.04 0.00 0.00 63.50 63.69 3he2 n PRO 122 Cb 0.39 -1.06 0.47 0.00 -0.04 0.00 0.00 33.50 33.27 3he2 n PRO 122 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3he2 h THR 123 N 0.01 0.65 0.00 0.52 1.35 -1.88 -0.77 112.91 112.78 3he2 h THR 123 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3he2 h THR 123 Cb 0.94 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 3he2 h THR 123 CO 0.00 0.09 0.00 0.77 -0.25 0.00 0.00 175.52 176.13 3he2 h SER 124 N 0.48 0.00 1.60 5.36 4.64 -1.78 0.67 113.55 124.52 3he2 h SER 124 Ca 0.52 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.83 3he2 h SER 124 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3he2 h SER 124 CO -0.25 0.00 -0.40 0.11 -0.87 0.00 0.00 176.83 175.42 3he2 h LYS 125 N 0.00 0.00 -0.04 4.77 1.57 -1.50 -3.37 116.57 118.00 3he2 h LYS 125 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3he2 h LYS 125 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3he2 h LYS 125 CO 0.00 0.04 0.00 0.66 -0.57 0.00 0.00 179.45 179.58 3he2 n TYR 126 N -2.96 0.04 -1.86 -1.35 4.01 -0.97 -4.89 117.16 109.18 3he2 n TYR 126 Ca 0.02 -0.06 -0.10 0.00 -0.16 0.00 0.00 57.90 57.61 3he2 n TYR 126 Cb 0.56 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.57 3he2 n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3he2 n GLY 127 N 0.45 0.39 3.92 2.72 0.00 0.12 -4.42 105.19 108.37 3he2 n GLY 127 Ca 0.05 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 3he2 n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3he2 s LEU 128 N -2.57 3.30 0.01 0.99 1.43 -0.58 -4.41 118.68 116.86 3he2 s LEU 128 Ca 0.00 -0.78 0.04 0.00 -1.03 0.00 0.00 54.13 52.36 3he2 s LEU 128 Cb 0.00 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 3he2 s LEU 128 CO 0.00 -0.81 -0.12 0.00 0.23 0.00 0.00 176.35 175.64 3he2 s ALA 129 N -2.52 1.03 0.25 4.21 0.00 -1.26 -4.63 121.76 118.84 3he2 s ALA 129 Ca 0.49 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.80 3he2 s ALA 129 Cb -0.04 -0.20 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3he2 s ALA 129 CO 0.29 0.22 0.44 -0.51 0.00 0.00 0.00 175.76 176.19 3he2 s LEU 130 N -0.69 4.17 0.76 0.00 1.43 -1.26 -5.04 118.68 118.06 3he2 s LEU 130 Ca 0.03 0.39 -0.14 0.00 -1.03 0.00 0.00 54.13 53.37 3he2 s LEU 130 Cb -0.06 -3.19 0.06 0.00 0.03 0.00 0.00 46.19 43.03 3he2 s LEU 130 CO 0.00 -0.12 1.20 1.51 0.23 0.00 0.00 176.35 179.17 3he2 s ASP 131 N -3.52 3.98 0.30 2.29 -4.77 -1.26 -4.96 116.67 108.73 3he2 s ASP 131 Ca 0.39 2.32 -0.00 0.00 -3.30 0.00 0.00 52.55 51.95 3he2 s ASP 131 Cb -0.10 -2.58 0.45 0.00 -1.09 0.00 0.00 42.92 39.59 3he2 s ASP 131 CO 0.31 -2.40 1.87 0.78 0.70 0.00 0.00 175.17 176.42 3he2 h ASN 132 N -0.58 0.76 -0.29 2.11 4.21 -1.93 -3.04 115.58 116.82 3he2 h ASN 132 Ca -0.47 -0.11 0.02 0.00 1.21 0.00 0.00 56.30 56.95 3he2 h ASN 132 Cb 1.29 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 38.27 3he2 h ASN 132 CO 0.48 0.71 0.14 -0.25 -1.29 0.00 0.00 177.43 177.22 3he2 h TRP 133 N 0.81 0.26 -0.91 1.19 7.01 -1.79 0.67 115.95 123.20 3he2 h TRP 133 Ca 0.19 0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.33 3he2 h TRP 133 Cb 0.21 -0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.12 3he2 h TRP 133 CO 0.01 0.14 0.58 0.77 -2.79 0.00 0.00 178.44 177.16 3he2 h SER 134 N 0.30 0.73 -0.04 2.65 0.02 -1.84 0.29 113.55 115.66 3he2 h SER 134 Ca 0.12 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 3he2 h SER 134 Cb 0.04 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.48 3he2 h SER 134 CO -0.09 0.39 -0.42 0.40 -1.14 0.00 0.00 176.83 175.97 3he2 h ILE 135 N 0.78 1.44 -0.01 3.27 2.04 -1.31 -2.31 117.51 121.41 3he2 h ILE 135 Ca 0.45 -1.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.41 3he2 h ILE 135 Cb 0.61 2.49 -0.00 0.00 -0.74 0.00 0.00 36.82 39.18 3he2 h ILE 135 CO -0.21 0.54 0.00 0.03 0.00 0.00 0.00 178.15 178.52 3he2 h ARG 136 N -0.18 0.01 -0.47 2.37 2.47 -0.25 -1.21 114.38 117.12 3he2 h ARG 136 Ca -0.04 -0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.58 3he2 h ARG 136 Cb 1.11 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 3he2 h ARG 136 CO 0.08 0.21 -0.10 -0.09 0.56 0.00 0.00 179.97 180.64 3he2 h ARG 137 N -0.19 0.89 -0.52 0.04 9.65 -0.56 -1.02 114.38 122.66 3he2 h ARG 137 Ca 0.00 -0.34 0.10 0.00 -1.10 0.00 0.00 59.98 58.65 3he2 h ARG 137 Cb 0.20 -0.05 -0.10 0.00 -1.39 0.00 0.00 29.97 28.63 3he2 h ARG 137 CO -0.00 0.98 -0.17 1.25 2.80 0.00 0.00 179.97 184.83 3he2 h LEU 138 N 0.74 -0.60 -0.92 3.80 5.85 -1.36 -1.43 115.31 121.39 3he2 h LEU 138 Ca 0.12 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 3he2 h LEU 138 Cb 0.64 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 3he2 h LEU 138 CO 0.04 -0.21 0.46 0.28 -0.34 0.00 0.00 178.44 178.68 3he2 h SER 139 N -0.04 1.11 0.17 1.25 0.02 -0.73 -0.53 113.55 114.80 3he2 h SER 139 Ca 0.25 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3he2 h SER 139 Cb 0.43 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 3he2 h SER 139 CO -0.56 0.90 -0.16 0.77 -1.14 0.00 0.00 176.83 176.63 3he2 h SER 140 N 1.23 0.00 0.10 3.07 4.64 -0.34 0.12 113.55 122.37 3he2 h SER 140 Ca 0.31 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.27 3he2 h SER 140 Cb 0.05 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.08 3he2 h SER 140 CO -0.05 0.16 -2.26 0.18 -0.87 0.00 0.00 176.83 174.00 3he2 n LEU 141 N -4.30 0.75 -0.34 5.97 4.77 -0.62 -4.45 117.00 118.79 3he2 n LEU 141 Ca -0.02 0.07 0.05 0.00 -0.03 0.00 0.00 56.01 56.07 3he2 n LEU 141 Cb 0.23 0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.49 3he2 n LEU 141 CO 0.36 0.56 0.33 1.33 -1.33 0.00 0.00 177.39 178.65 3he2 n VAL 142 N -2.92 0.00 0.00 4.08 0.24 -0.30 -2.96 118.33 116.47 3he2 n VAL 142 Ca -0.32 -0.46 0.00 0.00 -2.04 0.00 0.00 64.34 61.52 3he2 n VAL 142 Cb 1.11 1.18 0.00 0.00 -1.47 0.00 0.00 33.84 34.65 3he2 n VAL 142 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3he2 n GLY 143 N 0.69 -2.20 0.24 7.63 0.00 0.43 -4.37 105.19 107.61 3he2 n GLY 143 Ca 0.05 -1.26 0.01 0.00 0.00 0.00 0.00 46.02 44.82 3he2 n GLY 143 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3he2 h HIS 144 N 0.00 -0.15 -0.40 1.61 2.76 -1.91 -1.24 115.15 115.82 3he2 h HIS 144 Ca 0.00 0.05 0.08 0.00 -2.20 0.00 0.00 60.37 58.30 3he2 h HIS 144 Cb 0.00 0.16 -0.07 0.00 1.55 0.00 0.00 27.41 29.05 3he2 h HIS 144 CO 0.00 -0.21 -0.06 0.78 -1.30 0.00 0.00 177.93 177.14 3he2 h GLY 145 N 0.07 0.34 1.93 5.26 0.00 -1.93 0.80 103.07 109.53 3he2 h GLY 145 Ca 0.32 0.10 -0.14 0.00 0.00 0.00 0.00 47.33 47.61 3he2 h GLY 145 CO -0.57 -0.14 -0.63 3.21 0.00 0.00 0.00 176.54 178.41 3he2 h ARG 146 N 0.04 0.07 -0.06 4.80 3.08 -1.64 -2.89 114.38 117.79 3he2 h ARG 146 Ca 0.20 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3he2 h ARG 146 Cb 0.30 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3he2 h ARG 146 CO -0.39 0.68 -0.02 0.00 -1.07 0.00 0.00 179.97 179.18 3he2 h ALA 147 N 1.30 0.03 -0.81 0.04 0.00 -0.23 0.11 119.26 119.71 3he2 h ALA 147 Ca -0.01 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.08 3he2 h ALA 147 Cb 1.13 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 3he2 h ALA 147 CO 0.09 -0.50 0.36 0.00 0.00 0.00 0.00 179.25 179.20 3he2 h ARG 148 N -0.01 0.48 -0.30 0.00 3.08 -0.72 0.25 114.38 117.16 3he2 h ARG 148 Ca 0.03 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3he2 h ARG 148 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3he2 h ARG 148 CO -0.07 0.32 -0.28 0.00 -1.07 0.00 0.00 179.97 178.87 3he2 h ALA 149 N 1.57 0.44 -0.54 0.04 0.00 -1.26 0.95 119.26 120.47 3he2 h ALA 149 Ca 0.45 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3he2 h ALA 149 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3he2 h ALA 149 CO -0.41 0.46 -0.07 0.52 0.00 0.00 0.00 179.25 179.75 3he2 h MET 150 N 0.48 0.99 0.21 0.00 2.86 0.01 -1.50 114.93 117.97 3he2 h MET 150 Ca 0.05 -0.34 -0.33 0.00 -2.06 0.00 0.00 59.70 57.02 3he2 h MET 150 Cb 0.85 -0.08 0.02 0.00 0.06 0.00 0.00 31.60 32.46 3he2 h MET 150 CO 0.07 1.01 -1.56 -0.07 1.06 0.00 0.00 176.91 177.43 3he2 h LEU 151 N 0.89 0.69 0.00 1.22 3.38 -0.50 -2.49 115.31 118.50 3he2 h LEU 151 Ca 0.15 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.19 3he2 h LEU 151 Cb 0.62 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3he2 h LEU 151 CO 0.04 1.72 -0.53 -0.07 0.09 0.00 0.00 178.44 179.69 3he2 h LEU 152 N 0.06 0.00 -1.49 1.67 3.38 -0.88 -3.39 115.31 114.66 3he2 h LEU 152 Ca -0.30 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3he2 h LEU 152 Cb 2.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.82 3he2 h LEU 152 CO 0.21 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 177.21 3he2 n SER 153 N -2.77 0.78 -1.78 -0.43 3.41 -0.58 -4.95 113.62 107.31 3he2 n SER 153 Ca 0.02 -1.32 -0.18 0.00 -0.26 0.00 0.00 58.87 57.13 3he2 n SER 153 Cb 0.53 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 3he2 n SER 153 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3he2 n ALA 154 N -0.16 -0.43 -1.81 7.33 0.00 -0.94 -4.94 120.51 119.56 3he2 n ALA 154 Ca 0.00 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.23 3he2 n ALA 154 Cb 0.31 -1.91 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 3he2 n ALA 154 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3he2 s GLU 155 N -4.35 4.26 0.10 0.00 2.12 -1.13 -4.80 118.70 114.91 3he2 s GLU 155 Ca 0.00 2.34 -0.24 0.00 0.36 0.00 0.00 54.97 57.43 3he2 s GLU 155 Cb 0.00 -3.06 -0.07 0.00 0.26 0.00 0.00 34.13 31.26 3he2 s GLU 155 CO 0.00 -0.36 0.75 0.15 -0.54 0.00 0.00 175.26 175.25 3he2 s LYS 156 N -1.31 4.50 -0.35 4.30 1.02 -1.26 -4.53 119.74 122.11 3he2 s LYS 156 Ca 0.54 1.07 -0.13 0.00 0.02 0.00 0.00 55.97 57.47 3he2 s LYS 156 Cb -0.42 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.58 3he2 s LYS 156 CO 0.52 0.46 0.24 -1.17 -0.92 0.00 0.00 175.35 174.48 3he2 s LEU 157 N -0.68 4.59 0.93 3.17 2.96 -0.23 -4.94 118.68 124.48 3he2 s LEU 157 Ca 0.36 -0.54 -0.14 0.00 -0.22 0.00 0.00 54.13 53.59 3he2 s LEU 157 Cb -0.22 -2.12 0.16 0.00 0.50 0.00 0.00 46.19 44.51 3he2 s LEU 157 CO 0.24 -0.27 1.20 0.42 -1.32 0.00 0.00 176.35 176.61 3he2 s THR 158 N 1.70 1.95 0.12 3.68 -4.23 -1.26 -1.29 115.64 116.31 3he2 s THR 158 Ca 0.06 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.42 3he2 s THR 158 Cb -0.18 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.79 3he2 s THR 158 CO 0.10 0.00 1.57 0.00 -0.54 0.00 0.00 174.62 175.74 3he2 h ALA 159 N -1.55 0.52 -0.51 3.99 0.00 -1.77 -0.10 119.26 119.84 3he2 h ALA 159 Ca -0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 3he2 h ALA 159 Cb 1.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3he2 h ALA 159 CO 0.53 0.30 0.24 1.05 0.00 0.00 0.00 179.25 181.37 3he2 h GLU 160 N 0.51 0.74 0.00 0.00 -0.00 -1.90 -0.64 114.58 113.28 3he2 h GLU 160 Ca 0.11 -0.11 -0.13 0.00 -0.00 0.00 0.00 59.36 59.23 3he2 h GLU 160 Cb 0.47 -0.13 -0.02 0.00 -0.00 0.00 0.00 28.75 29.07 3he2 h GLU 160 CO 0.02 0.62 -0.63 0.82 -0.00 0.00 0.00 179.01 179.84 3he2 h ILE 161 N 0.68 1.44 -0.56 -1.06 2.04 -1.90 -2.01 117.51 116.14 3he2 h ILE 161 Ca 0.18 -2.17 -0.05 0.00 1.00 0.00 0.00 64.86 63.82 3he2 h ILE 161 Cb 0.13 2.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 3he2 h ILE 161 CO -0.02 0.62 0.16 0.00 0.00 0.00 0.00 178.15 178.91 3he2 h ALA 162 N 1.37 1.23 -0.28 1.87 0.00 -0.50 -1.79 119.26 121.16 3he2 h ALA 162 Ca -0.01 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 3he2 h ALA 162 Cb 1.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3he2 h ALA 162 CO 0.08 0.54 -0.09 1.25 0.00 0.00 0.00 179.25 181.04 3he2 h LEU 163 N 0.82 0.56 -0.73 0.00 5.85 -0.79 -0.79 115.31 120.23 3he2 h LEU 163 Ca 0.19 -0.38 0.14 0.00 0.84 0.00 0.00 57.88 58.66 3he2 h LEU 163 Cb 0.26 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 3he2 h LEU 163 CO -0.01 0.81 0.28 -0.74 -0.34 0.00 0.00 178.44 178.44 3he2 h HIS 164 N 0.31 0.47 0.00 1.25 2.76 -0.99 -3.13 115.15 115.82 3he2 h HIS 164 Ca 0.07 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 3he2 h HIS 164 Cb 0.57 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.44 3he2 h HIS 164 CO 0.05 0.06 -1.12 0.25 -1.30 0.00 0.00 177.93 175.87 3he2 n THR 165 N -5.01 0.47 0.00 6.26 -2.24 -0.71 -4.97 114.28 108.07 3he2 n THR 165 Ca 0.13 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3he2 n THR 165 Cb 0.40 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 3he2 n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3he2 n GLY 166 N 1.22 0.59 0.33 3.38 0.00 -0.62 -4.64 105.19 105.45 3he2 n GLY 166 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3he2 n GLY 166 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3he2 h MET 167 N 3.41 1.12 -5.24 1.61 1.85 -1.21 -3.37 114.93 113.10 3he2 h MET 167 Ca 0.00 -0.12 -0.62 0.00 -0.61 0.00 0.00 59.70 58.35 3he2 h MET 167 Cb 0.00 -0.22 -0.16 0.00 0.43 0.00 0.00 31.60 31.65 3he2 h MET 167 CO 0.00 0.82 -0.55 0.00 -0.40 0.00 0.00 176.91 176.78 3he2 s ALA 168 N -5.87 3.45 0.09 0.39 0.00 -0.40 -4.59 121.76 114.82 3he2 s ALA 168 Ca -0.13 -0.78 0.07 0.00 0.00 0.00 0.00 51.96 51.13 3he2 s ALA 168 Cb 0.16 -2.00 -0.22 0.00 0.00 0.00 0.00 23.12 21.06 3he2 s ALA 168 CO 0.81 0.10 1.17 -0.91 0.00 0.00 0.00 175.76 176.93 3he2 h ASN 169 N 6.86 0.03 -5.10 0.00 4.21 -1.31 -3.36 115.58 116.92 3he2 h ASN 169 Ca -0.38 -0.04 -0.08 0.00 1.21 0.00 0.00 56.30 57.02 3he2 h ASN 169 Cb 1.17 -0.01 -0.15 0.00 -1.12 0.00 0.00 38.32 38.21 3he2 h ASN 169 CO 0.70 1.03 -0.23 -0.13 -1.29 0.00 0.00 177.43 177.51 3he2 s ARG 170 N -2.69 0.90 -0.20 0.81 0.52 -1.12 -5.04 118.95 112.14 3he2 s ARG 170 Ca -0.00 -0.73 -0.11 0.00 -0.52 0.00 0.00 55.73 54.37 3he2 s ARG 170 Cb 0.09 0.39 -0.05 0.00 0.52 0.00 0.00 34.95 35.90 3he2 s ARG 170 CO 0.83 -0.31 0.18 0.42 0.02 0.00 0.00 175.30 176.43 3he2 s ILE 171 N -3.41 5.38 -1.87 1.52 1.01 -1.26 -0.78 121.20 121.79 3he2 s ILE 171 Ca 0.01 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.94 3he2 s ILE 171 Cb 0.02 -3.52 0.00 0.00 0.01 0.00 0.00 42.46 38.97 3he2 s ILE 171 CO -0.09 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.88 3he2 n GLY 172 N 3.58 -1.45 3.99 6.18 0.00 0.89 -4.83 105.19 113.56 3he2 n GLY 172 Ca -0.15 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.68 3he2 n GLY 172 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3he2 s THR 173 N -2.69 3.08 0.25 2.61 -4.23 -1.26 -2.97 115.64 110.42 3he2 s THR 173 Ca 0.00 -1.04 -0.05 0.00 -1.18 0.00 0.00 61.69 59.43 3he2 s THR 173 Cb 0.00 -3.04 0.27 0.00 1.34 0.00 0.00 72.50 71.07 3he2 s THR 173 CO 0.00 -0.02 1.65 0.25 -0.54 0.00 0.00 174.62 175.96 3he2 h LEU 174 N 0.71 -0.17 -0.84 4.79 5.85 -1.92 -0.26 115.31 123.46 3he2 h LEU 174 Ca -0.41 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 3he2 h LEU 174 Cb 1.28 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.55 3he2 h LEU 174 CO 0.47 -0.13 0.37 0.00 -0.34 0.00 0.00 178.44 178.80 3he2 h ALA 175 N 1.69 1.08 -0.19 1.25 0.00 -1.99 0.15 119.26 121.26 3he2 h ALA 175 Ca 0.44 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3he2 h ALA 175 Cb 0.79 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3he2 h ALA 175 CO -0.61 0.67 0.05 -0.44 0.00 0.00 0.00 179.25 178.91 3he2 h ASP 176 N 1.19 0.04 -0.82 0.00 3.32 -1.58 -1.36 116.42 117.21 3he2 h ASP 176 Ca 0.28 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.38 3he2 h ASP 176 Cb 0.17 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.69 3he2 h ASP 176 CO -0.03 0.05 0.53 0.00 -1.72 0.00 0.00 179.24 178.07 3he2 h ALA 177 N 1.13 1.07 -0.52 3.45 0.00 -0.41 -1.42 119.26 122.56 3he2 h ALA 177 Ca 0.08 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3he2 h ALA 177 Cb 0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3he2 h ALA 177 CO -0.10 0.36 -0.02 1.96 0.00 0.00 0.00 179.25 181.45 3he2 h GLN 178 N 1.03 0.90 -0.47 0.00 4.20 -0.50 0.31 115.11 120.59 3he2 h GLN 178 Ca 0.32 -0.27 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 3he2 h GLN 178 Cb -0.00 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3he2 h GLN 178 CO -0.11 0.91 -0.14 0.00 -0.67 0.00 0.00 178.83 178.82 3he2 h ALA 179 N 1.14 0.65 -0.28 3.87 0.00 -0.77 -1.27 119.26 122.59 3he2 h ALA 179 Ca 0.15 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3he2 h ALA 179 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3he2 h ALA 179 CO 0.03 0.57 0.05 2.35 0.00 0.00 0.00 179.25 182.25 3he2 h TRP 180 N 0.76 0.49 -0.99 0.00 7.01 -1.16 -2.42 115.95 119.64 3he2 h TRP 180 Ca 0.12 -0.07 0.10 0.00 2.11 0.00 0.00 58.89 61.15 3he2 h TRP 180 Cb 0.69 -0.13 -0.08 0.00 -2.10 0.00 0.00 29.16 27.54 3he2 h TRP 180 CO 0.05 0.55 0.63 0.00 -2.79 0.00 0.00 178.44 176.88 3he2 h ALA 181 N 0.87 1.50 -0.05 2.65 0.00 -0.80 -0.86 119.26 122.57 3he2 h ALA 181 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3he2 h ALA 181 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3he2 h ALA 181 CO 0.00 0.29 -0.51 0.00 0.00 0.00 0.00 179.25 179.04 3he2 h ALA 182 N 1.52 1.06 0.30 0.00 0.00 -0.80 0.12 119.26 121.45 3he2 h ALA 182 Ca 0.46 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3he2 h ALA 182 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3he2 h ALA 182 CO -0.22 0.65 -0.14 0.93 0.00 0.00 0.00 179.25 180.47 3he2 h GLU 183 N 0.10 -0.38 -0.96 0.00 5.08 -0.86 -2.91 114.58 114.65 3he2 h GLU 183 Ca 0.00 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.55 3he2 h GLU 183 Cb 0.94 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.19 3he2 h GLU 183 CO 0.07 -0.18 0.61 0.82 -1.00 0.00 0.00 179.01 179.33 3he2 h ILE 184 N -0.51 0.78 0.00 3.13 2.04 -0.87 -1.10 117.51 120.98 3he2 h ILE 184 Ca -0.04 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3he2 h ILE 184 Cb 0.38 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3he2 h ILE 184 CO 0.07 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.35 3he2 h ALA 185 N 1.60 1.00 -0.01 1.87 0.00 -0.57 -1.12 119.26 122.02 3he2 h ALA 185 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3he2 h ALA 185 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3he2 h ALA 185 CO -0.28 0.00 -0.10 0.54 0.00 0.00 0.00 179.25 179.41 3he2 n ARG 186 N -2.74 1.27 -2.42 0.00 1.74 -0.42 -4.81 116.66 109.29 3he2 n ARG 186 Ca -0.00 -0.71 -0.24 0.00 -0.77 0.00 0.00 57.85 56.12 3he2 n ARG 186 Cb 0.17 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.21 3he2 n ARG 186 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3he2 s LEU 187 N -2.22 2.98 -0.38 0.55 1.43 -0.43 -5.01 118.68 115.61 3he2 s LEU 187 Ca 0.33 0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 53.19 3he2 s LEU 187 Cb 0.20 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.82 3he2 s LEU 187 CO 0.41 -1.66 1.24 0.00 0.23 0.00 0.00 176.35 176.58 3he2 s ALA 188 N -3.14 3.25 0.35 4.21 0.00 -1.26 -4.92 121.76 120.24 3he2 s ALA 188 Ca 0.62 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.44 3he2 s ALA 188 Cb -0.08 -3.84 0.62 0.00 0.00 0.00 0.00 23.12 19.82 3he2 s ALA 188 CO 0.44 -2.02 2.01 -1.35 0.00 0.00 0.00 175.76 174.83 3he2 h PRO 189 N 9.40 0.85 0.00 0.00 0.11 -1.94 -1.11 132.00 139.31 3he2 h PRO 189 Ca -0.25 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 3he2 h PRO 189 Cb 1.08 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3he2 h PRO 189 CO 1.08 0.57 -0.28 -0.07 -0.21 0.00 0.00 178.00 179.08 3he2 h LEU 190 N 0.88 0.00 -0.15 2.35 3.38 -1.96 0.81 115.31 120.62 3he2 h LEU 190 Ca 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3he2 h LEU 190 Cb -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3he2 h LEU 190 CO -0.05 0.28 -0.14 0.00 0.09 0.00 0.00 178.44 178.62 3he2 h ALA 191 N 1.72 0.22 -0.30 1.53 0.00 -1.62 -1.93 119.26 118.89 3he2 h ALA 191 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3he2 h ALA 191 Cb 0.77 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3he2 h ALA 191 CO 0.04 0.10 0.17 0.82 0.00 0.00 0.00 179.25 180.37 3he2 h ILE 192 N -0.01 1.12 -0.36 0.00 2.04 -1.06 -2.07 117.51 117.17 3he2 h ILE 192 Ca 0.02 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3he2 h ILE 192 Cb 0.67 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 3he2 h ILE 192 CO 0.04 0.11 0.23 1.56 0.00 0.00 0.00 178.15 180.09 3he2 h GLN 193 N 0.37 0.48 -0.03 2.37 4.20 -0.88 0.29 115.11 121.91 3he2 h GLN 193 Ca 0.11 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.79 3he2 h GLN 193 Cb 0.03 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3he2 h GLN 193 CO -0.02 0.34 -0.03 1.25 -0.67 0.00 0.00 178.83 179.71 3he2 h HIS 194 N 0.48 -0.07 -0.33 2.96 2.76 -1.26 -1.70 115.15 117.99 3he2 h HIS 194 Ca 0.13 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.16 3he2 h HIS 194 Cb -0.02 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 3he2 h HIS 194 CO -0.04 -0.05 -0.36 0.00 -1.30 0.00 0.00 177.93 176.18 3he2 h ALA 195 N 0.99 0.74 -0.34 5.26 0.00 -0.94 -2.19 119.26 122.79 3he2 h ALA 195 Ca 0.02 -0.43 0.06 0.00 0.00 0.00 0.00 54.91 54.56 3he2 h ALA 195 Cb 0.07 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3he2 h ALA 195 CO -0.05 0.66 -0.00 -0.22 0.00 0.00 0.00 179.25 179.63 3he2 h LYS 196 N 0.63 0.09 -0.41 0.00 3.64 -0.31 -0.94 116.57 119.28 3he2 h LYS 196 Ca 0.06 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3he2 h LYS 196 Cb 0.90 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.68 3he2 h LYS 196 CO 0.08 0.06 0.13 -0.09 -2.27 0.00 0.00 179.45 177.36 3he2 h ARG 197 N 0.09 0.63 -0.18 1.90 9.65 -1.09 -1.13 114.38 124.25 3he2 h ARG 197 Ca 0.16 -0.13 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 3he2 h ARG 197 Cb 0.22 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 3he2 h ARG 197 CO -0.27 0.62 0.04 0.28 2.80 0.00 0.00 179.97 183.44 3he2 h VAL 198 N 0.51 1.20 -0.39 0.20 2.07 -1.21 -1.73 116.25 116.91 3he2 h VAL 198 Ca 0.13 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 67.06 3he2 h VAL 198 Cb 0.26 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3he2 h VAL 198 CO -0.00 0.20 0.11 -0.07 0.02 0.00 0.00 177.57 177.82 3he2 h LEU 199 N 0.10 0.09 -1.82 2.57 3.38 -1.13 -1.50 115.31 116.99 3he2 h LEU 199 Ca 0.06 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3he2 h LEU 199 Cb 0.26 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3he2 h LEU 199 CO 0.00 0.08 0.00 0.78 0.09 0.00 0.00 178.44 179.40 3he2 h ASN 200 N 0.25 0.00 -0.94 -0.43 4.21 -1.07 -1.78 115.58 115.83 3he2 h ASN 200 Ca 0.18 0.00 -0.44 0.00 1.21 0.00 0.00 56.30 57.25 3he2 h ASN 200 Cb 0.19 0.00 -0.27 0.00 -1.12 0.00 0.00 38.32 37.12 3he2 h ASN 200 CO -0.21 0.00 0.56 0.47 -1.29 0.00 0.00 177.43 176.97 3he2 n ASP 201 N -2.88 4.04 0.00 5.81 8.00 -0.58 -4.50 116.55 126.44 3he2 n ASP 201 Ca -0.00 -3.51 0.06 0.00 0.71 0.00 0.00 54.79 52.05 3he2 n ASP 201 Cb 0.20 -0.82 0.31 0.00 -0.02 0.00 0.00 41.12 40.79 3he2 n ASP 201 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3he2 n ASP 202 N -0.89 0.00 0.00 -2.24 5.75 -0.67 -4.86 116.55 113.63 3he2 n ASP 202 Ca 0.55 0.24 0.00 0.00 -0.01 0.00 0.00 54.79 55.58 3he2 n ASP 202 Cb 1.61 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 41.34 3he2 n ASP 202 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3he2 n GLY 203 N -0.17 1.18 0.32 6.12 0.00 -1.26 -4.98 105.19 106.39 3he2 n GLY 203 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 3he2 n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3he2 h ALA 204 N 0.00 1.86 -1.16 4.61 0.00 -1.89 -3.34 119.26 119.34 3he2 h ALA 204 Ca 0.00 -0.02 -0.53 0.00 0.00 0.00 0.00 54.91 54.36 3he2 h ALA 204 Cb 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 3he2 h ALA 204 CO 0.00 0.08 1.25 0.42 0.00 0.00 0.00 179.25 181.00 3he2 s ILE 205 N -5.40 3.74 -0.04 0.00 1.01 -1.26 -3.71 121.20 115.53 3he2 s ILE 205 Ca -0.08 -0.28 0.02 0.00 0.00 0.00 0.00 60.65 60.31 3he2 s ILE 205 Cb 0.18 -4.76 0.02 0.00 0.01 0.00 0.00 42.46 37.90 3he2 s ILE 205 CO 0.73 -1.68 -0.07 -0.70 0.00 0.00 0.00 174.94 173.22 3he2 s GLU 206 N 5.68 1.01 0.19 2.79 2.12 -1.26 -5.06 118.70 124.17 3he2 s GLU 206 Ca 0.48 -0.21 -0.31 0.00 0.36 0.00 0.00 54.97 55.30 3he2 s GLU 206 Cb -0.04 -0.94 -0.09 0.00 0.26 0.00 0.00 34.13 33.31 3he2 s GLU 206 CO 0.01 -0.01 1.40 -2.00 -0.54 0.00 0.00 175.26 174.12 3he2 s GLU 207 N 0.68 4.31 0.48 4.30 2.12 -1.26 -4.49 118.70 124.84 3he2 s GLU 207 Ca -0.10 2.17 -0.24 0.00 0.36 0.00 0.00 54.97 57.15 3he2 s GLU 207 Cb -0.13 -3.18 -0.07 0.00 0.26 0.00 0.00 34.13 31.00 3he2 s GLU 207 CO 0.01 -0.40 1.42 0.00 -0.54 0.00 0.00 175.26 175.75 3he2 s ALA 208 N 0.49 3.14 0.62 6.30 0.00 -1.26 -4.98 121.76 126.06 3he2 s ALA 208 Ca 0.61 1.44 -0.13 0.00 0.00 0.00 0.00 51.96 53.89 3he2 s ALA 208 Cb -0.39 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.11 3he2 s ALA 208 CO 0.36 -1.26 1.04 -1.58 0.00 0.00 0.00 175.76 174.33 3he2 s TRP 209 N -1.22 3.30 0.33 0.00 0.52 -1.26 -4.78 118.94 115.82 3he2 s TRP 209 Ca 0.64 1.41 0.04 0.00 0.02 0.00 0.00 56.10 58.21 3he2 s TRP 209 Cb -0.43 -2.84 0.65 0.00 -1.15 0.00 0.00 33.47 29.69 3he2 s TRP 209 CO 0.55 -0.89 1.90 -1.35 0.02 0.00 0.00 176.95 177.18 3he2 h PRO 210 N -0.04 0.86 -0.21 4.98 0.11 -1.99 0.34 132.00 136.04 3he2 h PRO 210 Ca -0.45 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 3he2 h PRO 210 Cb 1.20 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3he2 h PRO 210 CO 0.59 0.57 -0.29 0.00 -0.21 0.00 0.00 178.00 178.66 3he2 h ALA 211 N 1.55 1.10 -0.32 -0.75 0.00 -1.99 -1.78 119.26 117.07 3he2 h ALA 211 Ca 0.40 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3he2 h ALA 211 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3he2 h ALA 211 CO -0.16 0.56 0.02 0.45 0.00 0.00 0.00 179.25 180.12 3he2 h HIS 212 N 0.37 0.61 -0.44 0.00 3.86 -0.75 -1.37 115.15 117.42 3he2 h HIS 212 Ca 0.05 -0.10 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 3he2 h HIS 212 Cb 0.71 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.97 3he2 h HIS 212 CO 0.02 0.67 0.20 0.87 0.86 0.00 0.00 177.93 180.55 3he2 h LYS 213 N 0.37 0.39 -0.47 2.45 1.57 -1.05 0.13 116.57 119.96 3he2 h LYS 213 Ca 0.09 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3he2 h LYS 213 Cb 0.42 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3he2 h LYS 213 CO 0.01 0.26 0.24 1.49 -0.57 0.00 0.00 179.45 180.88 3he2 h GLU 214 N 0.40 0.67 -0.07 3.15 4.81 -1.10 0.20 114.58 122.64 3he2 h GLU 214 Ca 0.20 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 3he2 h GLU 214 Cb 0.13 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3he2 h GLU 214 CO -0.16 0.55 -0.48 -0.07 -0.73 0.00 0.00 179.01 178.12 3he2 h LEU 215 N 0.62 0.17 0.28 1.64 3.38 -1.05 -2.33 115.31 118.02 3he2 h LEU 215 Ca 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3he2 h LEU 215 Cb 0.09 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3he2 h LEU 215 CO -0.02 0.63 -0.13 0.15 0.09 0.00 0.00 178.44 179.15 3he2 h PHE 216 N 0.13 -0.34 -0.85 1.13 3.57 -0.00 -2.04 116.94 118.54 3he2 h PHE 216 Ca 0.01 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.52 3he2 h PHE 216 Cb 0.90 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 3he2 h PHE 216 CO 0.01 -0.13 0.55 -0.44 -2.23 0.00 0.00 178.31 176.07 3he2 h ASP 217 N -0.49 0.93 -0.61 0.41 3.32 -0.93 -2.22 116.42 116.82 3he2 h ASP 217 Ca -0.04 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3he2 h ASP 217 Cb 0.37 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 3he2 h ASP 217 CO 0.06 0.65 0.31 0.50 -1.72 0.00 0.00 179.24 179.04 3he2 h LYS 218 N 1.09 0.87 -0.10 3.56 3.64 -1.31 0.36 116.57 124.69 3he2 h LYS 218 Ca 0.33 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3he2 h LYS 218 Cb -0.04 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3he2 h LYS 218 CO -0.10 0.69 -0.11 0.00 -2.27 0.00 0.00 179.45 177.67 3he2 h ALA 219 N 1.14 0.14 -0.12 5.00 0.00 -1.17 -2.84 119.26 121.40 3he2 h ALA 219 Ca 0.21 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3he2 h ALA 219 Cb 0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3he2 h ALA 219 CO -0.03 -0.01 -0.15 -1.49 0.00 0.00 0.00 179.25 177.57 3he2 h TRP 220 N -0.17 0.21 -0.18 0.00 4.06 -1.25 -2.63 115.95 115.98 3he2 h TRP 220 Ca 0.01 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.94 3he2 h TRP 220 Cb 0.63 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 3he2 h TRP 220 CO 0.09 0.35 0.00 0.41 -3.56 0.00 0.00 178.44 175.73 3he2 n GLY 221 N -0.87 0.28 3.84 1.49 0.00 0.10 -4.94 105.19 105.10 3he2 n GLY 221 Ca -0.01 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3he2 n GLY 221 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3he2 s SER 222 N -1.51 6.64 0.38 1.61 1.04 -0.99 -4.98 113.70 115.90 3he2 s SER 222 Ca 0.31 1.52 0.09 0.00 0.48 0.00 0.00 55.95 58.35 3he2 s SER 222 Cb 0.17 -2.49 0.76 0.00 0.10 0.00 0.00 66.02 64.56 3he2 s SER 222 CO 0.25 -0.54 1.91 -0.61 0.98 0.00 0.00 173.24 175.23 3he2 h GLN 223 N 1.06 0.28 -1.00 4.02 5.75 -1.81 -3.07 115.11 120.36 3he2 h GLN 223 Ca -0.47 -0.06 0.07 0.00 -0.15 0.00 0.00 58.65 58.04 3he2 h GLN 223 Cb 1.18 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.63 3he2 h GLN 223 CO 0.62 0.40 0.64 -0.44 -2.65 0.00 0.00 178.83 177.40 3he2 h ASP 224 N 0.27 1.02 -0.81 -0.69 3.32 -1.51 0.44 116.42 118.46 3he2 h ASP 224 Ca 0.06 0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.19 3he2 h ASP 224 Cb 0.36 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 3he2 h ASP 224 CO 0.02 0.64 0.48 0.58 -1.72 0.00 0.00 179.24 179.24 3he2 h VAL 225 N 1.14 1.00 -0.19 -1.35 2.07 -1.74 0.36 116.25 117.54 3he2 h VAL 225 Ca 0.44 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 3he2 h VAL 225 Cb 0.21 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3he2 h VAL 225 CO -0.18 0.16 -0.06 0.40 0.02 0.00 0.00 177.57 177.91 3he2 h ILE 226 N 0.87 1.29 -0.95 4.57 1.08 -0.44 -2.94 117.51 120.99 3he2 h ILE 226 Ca 0.36 -1.05 0.14 0.00 -0.39 0.00 0.00 64.86 63.92 3he2 h ILE 226 Cb 0.21 1.58 -0.08 0.00 -3.07 0.00 0.00 36.82 35.46 3he2 h ILE 226 CO -0.19 0.32 0.60 -0.08 -0.69 0.00 0.00 178.15 178.11 3he2 h GLU 227 N 0.10 0.80 -0.38 2.37 4.57 0.15 0.30 114.58 122.49 3he2 h GLU 227 Ca 0.05 -0.05 -0.14 0.00 -1.18 0.00 0.00 59.36 58.04 3he2 h GLU 227 Cb 0.51 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3he2 h GLU 227 CO 0.02 0.53 -0.32 0.00 -1.18 0.00 0.00 179.01 178.06 3he2 h ALA 228 N 1.58 0.55 -0.08 2.92 0.00 -0.81 0.07 119.26 123.49 3he2 h ALA 228 Ca 0.48 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3he2 h ALA 228 Cb 0.65 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3he2 h ALA 228 CO -0.25 0.61 -0.01 1.96 0.00 0.00 0.00 179.25 181.56 3he2 h GLN 229 N 0.70 0.16 -0.73 0.00 1.08 -1.15 -1.92 115.11 113.25 3he2 h GLN 229 Ca 0.07 -0.06 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 3he2 h GLN 229 Cb 0.91 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 28.27 3he2 h GLN 229 CO 0.08 0.46 0.43 0.28 -0.95 0.00 0.00 178.83 179.12 3he2 h VAL 230 N -0.16 1.00 -0.12 -0.54 2.07 -0.35 -2.15 116.25 116.00 3he2 h VAL 230 Ca 0.02 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 3he2 h VAL 230 Cb 0.39 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3he2 h VAL 230 CO 0.01 0.14 -0.25 0.00 0.02 0.00 0.00 177.57 177.49 3he2 h ALA 231 N 1.36 1.36 0.22 1.67 0.00 -0.93 -0.25 119.26 122.69 3he2 h ALA 231 Ca 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3he2 h ALA 231 Cb 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3he2 h ALA 231 CO -0.18 0.44 -0.10 0.07 0.00 0.00 0.00 179.25 179.48 3he2 h ARG 232 N 0.20 -0.28 -0.32 0.00 0.11 -0.88 0.54 114.38 113.74 3he2 h ARG 232 Ca 0.03 0.02 0.07 0.00 0.10 0.00 0.00 59.98 60.20 3he2 h ARG 232 Cb 0.55 0.06 -0.08 0.00 1.11 0.00 0.00 29.97 31.61 3he2 h ARG 232 CO 0.04 0.08 -0.31 0.00 0.10 0.00 0.00 179.97 179.88 3he2 h MET 233 N -0.72 -0.27 0.00 0.08 -0.00 -1.31 0.10 114.93 112.81 3he2 h MET 233 Ca -0.03 0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 3he2 h MET 233 Cb 0.49 0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.15 3he2 h MET 233 CO 0.05 -0.18 0.00 0.39 -0.00 0.00 0.00 176.91 177.17 3he2 n GLU 234 N -5.41 0.16 -3.22 -0.10 1.02 -0.11 -4.91 120.64 108.07 3he2 n GLU 234 Ca -0.00 0.16 -0.16 0.00 -0.02 0.00 0.00 57.16 57.14 3he2 n GLU 234 Cb 0.33 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 30.30 3he2 n GLU 234 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3he2 n LYS 235 N -1.35 -5.29 -4.15 3.49 -0.00 0.35 -5.03 118.16 106.19 3he2 n LYS 235 Ca 0.07 0.55 -0.09 0.00 -0.00 0.00 0.00 58.31 58.83 3he2 n LYS 235 Cb 0.15 -4.74 -0.10 0.00 -0.00 0.00 0.00 35.03 30.34 3he2 n LYS 235 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 3he2 s ARG 236 N -5.86 0.77 0.29 -1.58 1.70 -0.48 -5.04 118.95 108.74 3he2 s ARG 236 Ca 0.39 -1.31 -0.29 0.00 -0.47 0.00 0.00 55.73 54.05 3he2 s ARG 236 Cb -0.17 -0.06 -0.10 0.00 -0.57 0.00 0.00 34.95 34.05 3he2 s ARG 236 CO 0.48 -0.06 1.34 -1.25 -1.08 0.00 0.00 175.30 174.74 3he2 s PRO 237 N -3.87 4.34 0.56 3.89 0.04 -1.26 -4.42 135.00 134.27 3he2 s PRO 237 Ca 0.11 2.21 -0.19 0.00 0.04 0.00 0.00 61.00 63.17 3he2 s PRO 237 Cb 0.06 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 3he2 s PRO 237 CO -0.06 -0.26 1.14 -1.25 0.04 0.00 0.00 177.00 176.61 3he2 s PRO 238 N -1.10 3.26 -0.46 0.56 0.04 -1.26 -5.00 135.00 131.04 3he2 s PRO 238 Ca 0.53 1.64 -0.02 0.00 0.04 0.00 0.00 61.00 63.18 3he2 s PRO 238 Cb -0.40 -1.99 0.12 0.00 0.04 0.00 0.00 34.50 32.28 3he2 s PRO 238 CO 0.48 -0.93 0.26 0.15 0.04 0.00 0.00 177.00 176.99 3he2 s LYS 239 N -3.34 2.11 0.40 4.56 1.02 -1.26 -5.10 119.74 118.14 3he2 s LYS 239 Ca 0.73 -2.01 -0.13 0.00 0.02 0.00 0.00 55.97 54.58 3he2 s LYS 239 Cb -0.25 -3.60 -0.08 0.00 -0.52 0.00 0.00 37.83 33.39 3he2 s LYS 239 CO 0.29 -1.09 0.81 -0.06 -0.92 0.00 0.00 175.35 174.37 3he2 s PHE 240 N 0.81 3.43 -0.01 3.18 0.08 -1.26 -4.99 117.98 119.22 3he2 s PHE 240 Ca 0.11 1.19 0.00 0.00 0.12 0.00 0.00 56.93 58.35 3he2 s PHE 240 Cb -0.22 -2.55 -0.00 0.00 -0.57 0.00 0.00 43.02 39.68 3he2 s PHE 240 CO -0.04 -0.10 0.09 1.04 -0.10 0.00 0.00 175.22 176.11 3he2 n GLN 241 N -1.07 5.58 -2.71 0.44 1.13 -1.26 -5.01 117.38 114.47 3he2 n GLN 241 Ca 0.04 -0.09 -0.08 0.00 -1.94 0.00 0.00 57.00 54.93 3he2 n GLN 241 Cb 0.54 -0.59 0.02 0.00 0.11 0.00 0.00 30.24 30.32 3he2 n GLN 241 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3he2 n GLY 242 N 0.83 0.34 0.00 1.08 0.00 -1.26 -5.13 105.19 101.05 3he2 n GLY 242 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3he2 n GLY 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32