#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i01 n PHE 3 N 0.00 0.46 -1.69 3.10 3.01 0.14 -4.94 117.46 117.54 1i01 n PHE 3 Ca 0.00 -1.31 -0.42 0.00 1.01 0.00 0.00 57.45 56.73 1i01 n PHE 3 Cb 0.00 -0.30 -0.03 0.00 -0.01 0.00 0.00 39.48 39.13 1i01 n PHE 3 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1i01 n GLU 4 N -1.11 2.79 -0.03 -1.08 1.02 -1.19 -0.33 120.64 120.71 1i01 n GLU 4 Ca 0.23 1.01 0.00 0.00 -0.02 0.00 0.00 57.16 58.38 1i01 n GLU 4 Cb 0.81 -2.91 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 1i01 n GLU 4 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1i01 n GLY 5 N 4.25 0.36 3.88 0.62 0.00 -1.25 -5.00 105.19 108.04 1i01 n GLY 5 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1i01 n GLY 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i01 s LYS 6 N -0.91 3.35 -0.16 1.61 -0.14 0.55 -5.01 119.74 119.03 1i01 s LYS 6 Ca 0.00 -0.39 -0.01 0.00 -1.36 0.00 0.00 55.97 54.21 1i01 s LYS 6 Cb 0.00 -3.03 -0.01 0.00 -1.68 0.00 0.00 37.83 33.11 1i01 s LYS 6 CO 0.00 0.65 -0.10 0.42 -0.76 0.00 0.00 175.35 175.56 1i01 s ILE 7 N -1.34 3.14 -0.08 2.17 1.01 -1.26 -1.22 121.20 123.62 1i01 s ILE 7 Ca 0.28 -0.61 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1i01 s ILE 7 Cb -0.13 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.98 1i01 s ILE 7 CO 0.20 0.50 -0.23 0.00 0.00 0.00 0.00 174.94 175.41 1i01 s ALA 8 N 0.70 2.24 -0.28 9.38 0.00 0.04 -0.64 121.76 133.20 1i01 s ALA 8 Ca -0.05 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 1i01 s ALA 8 Cb -0.15 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 1i01 s ALA 8 CO 0.02 0.36 0.07 -1.17 0.00 0.00 0.00 175.76 175.03 1i01 s LEU 9 N 0.06 3.65 -0.26 0.00 2.96 0.92 -0.86 118.68 125.16 1i01 s LEU 9 Ca -0.10 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 1i01 s LEU 9 Cb -0.16 -1.89 0.04 0.00 0.50 0.00 0.00 46.19 44.69 1i01 s LEU 9 CO 0.06 -0.13 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.19 1i01 s VAL 10 N 1.54 2.59 0.34 1.68 1.01 -0.04 -1.12 120.40 126.39 1i01 s VAL 10 Ca 0.04 -1.31 -0.20 0.00 0.00 0.00 0.00 61.98 60.50 1i01 s VAL 10 Cb -0.16 -2.41 -0.10 0.00 0.00 0.00 0.00 36.38 33.71 1i01 s VAL 10 CO 0.02 0.08 0.85 0.42 0.00 0.00 0.00 175.10 176.47 1i01 s THR 11 N 1.23 4.46 -1.01 3.92 -4.23 -0.77 -1.28 115.64 117.95 1i01 s THR 11 Ca -0.04 1.39 -0.03 0.00 -1.18 0.00 0.00 61.69 61.84 1i01 s THR 11 Cb -0.18 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.91 1i01 s THR 11 CO -0.05 -0.07 0.86 0.61 -0.54 0.00 0.00 174.62 175.44 1i01 n GLY 12 N -0.01 -0.22 1.04 3.99 0.00 -0.96 -3.62 105.19 105.41 1i01 n GLY 12 Ca 0.03 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.13 1i01 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i01 n ALA 13 N -3.89 2.86 -0.25 4.61 0.00 -0.75 -4.13 120.51 118.96 1i01 n ALA 13 Ca -0.15 -0.92 -0.05 0.00 0.00 0.00 0.00 53.44 52.33 1i01 n ALA 13 Cb 0.60 -1.02 0.06 0.00 0.00 0.00 0.00 19.45 19.10 1i01 n ALA 13 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1i01 h SER 14 N 2.41 0.76 -1.61 0.00 0.02 -1.89 -3.28 113.55 109.96 1i01 h SER 14 Ca 0.00 -0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.06 1i01 h SER 14 Cb 0.95 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1i01 h SER 14 CO 0.14 0.54 0.40 -2.11 -1.14 0.00 0.00 176.83 174.66 1i01 n ARG 15 N -4.63 0.30 0.00 3.45 1.85 -1.26 -4.77 116.66 111.60 1i01 n ARG 15 Ca 0.06 -0.74 0.00 0.00 -1.00 0.00 0.00 57.85 56.17 1i01 n ARG 15 Cb 0.04 1.05 0.00 0.00 -1.05 0.00 0.00 32.46 32.50 1i01 n ARG 15 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1i01 n GLY 16 N -0.46 2.67 0.11 2.89 0.00 -1.26 -2.92 105.19 106.22 1i01 n GLY 16 Ca -0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 1i01 n GLY 16 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1i01 h ILE 17 N 0.00 1.21 -0.59 -0.61 2.04 -1.93 -2.54 117.51 115.10 1i01 h ILE 17 Ca 0.00 -0.68 0.08 0.00 1.00 0.00 0.00 64.86 65.26 1i01 h ILE 17 Cb 0.00 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 1i01 h ILE 17 CO 0.00 0.21 0.24 1.23 0.00 0.00 0.00 178.15 179.83 1i01 h GLY 18 N 0.08 0.82 1.39 5.37 0.00 -1.68 0.04 103.07 109.09 1i01 h GLY 18 Ca 0.05 -0.14 -0.15 0.00 0.00 0.00 0.00 47.33 47.09 1i01 h GLY 18 CO 0.00 0.02 -0.43 -0.09 0.00 0.00 0.00 176.54 176.05 1i01 h ARG 19 N 0.45 0.66 -0.77 4.80 2.43 -1.55 -1.53 114.38 118.87 1i01 h ARG 19 Ca 0.29 -0.36 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 1i01 h ARG 19 Cb 0.31 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1i01 h ARG 19 CO -0.26 0.96 0.28 0.00 -1.51 0.00 0.00 179.97 179.45 1i01 h ALA 20 N 0.98 1.05 -0.16 2.80 0.00 -0.97 0.77 119.26 123.73 1i01 h ALA 20 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1i01 h ALA 20 Cb 0.96 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1i01 h ALA 20 CO 0.09 0.66 0.04 0.82 0.00 0.00 0.00 179.25 180.86 1i01 h ILE 21 N 1.12 1.20 -0.58 0.00 2.04 -0.83 -0.98 117.51 119.49 1i01 h ILE 21 Ca 0.25 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1i01 h ILE 21 Cb 0.25 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1i01 h ILE 21 CO -0.02 0.19 0.35 0.00 0.00 0.00 0.00 178.15 178.67 1i01 h ALA 22 N 0.85 0.74 -0.25 1.87 0.00 -0.91 -1.42 119.26 120.14 1i01 h ALA 22 Ca 0.05 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1i01 h ALA 22 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1i01 h ALA 22 CO 0.00 0.22 -0.34 0.93 0.00 0.00 0.00 179.25 180.06 1i01 h GLU 23 N 0.78 0.54 -0.19 0.00 5.08 -0.80 -1.97 114.58 118.02 1i01 h GLU 23 Ca 0.21 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1i01 h GLU 23 Cb -0.02 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1i01 h GLU 23 CO -0.04 0.81 -0.12 1.15 -1.00 0.00 0.00 179.01 179.81 1i01 h THR 24 N 0.45 1.32 -0.54 1.13 2.02 -0.89 0.47 112.91 116.88 1i01 h THR 24 Ca 0.05 -1.22 -0.06 0.00 0.77 0.00 0.00 66.41 65.95 1i01 h THR 24 Cb 0.82 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.91 1i01 h THR 24 CO 0.07 0.37 0.09 -0.07 0.37 0.00 0.00 175.52 176.35 1i01 h LEU 25 N 0.10 0.80 -0.38 2.58 3.38 -1.26 -2.09 115.31 118.43 1i01 h LEU 25 Ca 0.04 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1i01 h LEU 25 Cb 0.63 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1i01 h LEU 25 CO 0.03 0.81 -0.20 0.00 0.09 0.00 0.00 178.44 179.18 1i01 h ALA 26 N 1.29 0.54 0.00 1.53 0.00 -1.26 -1.20 119.26 120.16 1i01 h ALA 26 Ca 0.17 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1i01 h ALA 26 Cb 0.35 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1i01 h ALA 26 CO 0.01 0.49 -0.04 0.00 0.00 0.00 0.00 179.25 179.71 1i01 h ALA 27 N 0.80 1.11 -0.61 0.00 0.00 -0.62 -1.94 119.26 118.00 1i01 h ALA 27 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1i01 h ALA 27 Cb 0.75 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 1i01 h ALA 27 CO 0.06 0.05 0.13 0.54 0.00 0.00 0.00 179.25 180.02 1i01 n ARG 28 N -3.29 3.98 -0.27 0.00 1.74 -0.81 -4.95 116.66 113.07 1i01 n ARG 28 Ca -0.02 -3.10 0.00 0.00 -0.77 0.00 0.00 57.85 53.97 1i01 n ARG 28 Cb 0.19 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.45 1i01 n ARG 28 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i01 n GLY 29 N 0.03 0.68 3.87 -0.13 0.00 -0.73 0.27 105.19 109.19 1i01 n GLY 29 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 1i01 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i01 s ALA 30 N -2.57 3.26 -0.28 4.61 0.00 -0.49 -3.17 121.76 123.12 1i01 s ALA 30 Ca 0.00 -0.13 -0.19 0.00 0.00 0.00 0.00 51.96 51.64 1i01 s ALA 30 Cb 0.00 -2.83 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 1i01 s ALA 30 CO 0.00 -0.16 0.57 0.21 0.00 0.00 0.00 175.76 176.38 1i01 s LYS 31 N -4.12 3.98 -0.11 0.00 2.36 -0.36 -4.35 119.74 117.14 1i01 s LYS 31 Ca 0.53 0.31 -0.01 0.00 -2.55 0.00 0.00 55.97 54.25 1i01 s LYS 31 Cb -0.10 -3.69 -0.03 0.00 -1.05 0.00 0.00 37.83 32.96 1i01 s LYS 31 CO 0.35 -0.46 -0.06 0.08 1.55 0.00 0.00 175.35 176.81 1i01 s VAL 32 N 2.45 3.74 -0.29 4.02 1.01 -0.27 -0.78 120.40 130.28 1i01 s VAL 32 Ca 0.23 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1i01 s VAL 32 Cb -0.15 -2.58 0.06 0.00 0.00 0.00 0.00 36.38 33.71 1i01 s VAL 32 CO 0.10 0.55 -0.03 -0.63 0.00 0.00 0.00 175.10 175.09 1i01 s ILE 33 N -0.19 2.56 0.01 2.22 1.09 -0.04 -1.11 121.20 125.74 1i01 s ILE 33 Ca 0.03 -1.66 -0.02 0.00 -1.10 0.00 0.00 60.65 57.90 1i01 s ILE 33 Cb -0.13 -2.56 -0.04 0.00 -1.06 0.00 0.00 42.46 38.67 1i01 s ILE 33 CO 0.03 -0.17 0.18 -0.83 -0.10 0.00 0.00 174.94 174.05 1i01 s GLY 34 N 1.18 2.17 0.28 6.18 0.00 -0.69 -0.86 107.32 115.59 1i01 s GLY 34 Ca -0.04 -0.79 0.12 0.00 0.00 0.00 0.00 44.72 44.01 1i01 s GLY 34 CO -0.04 -0.69 -0.18 -0.51 0.00 0.00 0.00 173.10 171.68 1i01 s THR 35 N -1.36 2.54 0.14 0.90 -4.23 -0.41 -1.48 115.64 111.75 1i01 s THR 35 Ca 0.29 -2.36 -0.04 0.00 -1.18 0.00 0.00 61.69 58.40 1i01 s THR 35 Cb -0.13 -2.35 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 1i01 s THR 35 CO 0.21 -0.39 0.13 0.00 -0.54 0.00 0.00 174.62 174.03 1i01 s ALA 36 N -2.50 0.55 -0.53 3.99 0.00 -1.06 -1.80 121.76 120.41 1i01 s ALA 36 Ca 0.30 -1.26 0.24 0.00 0.00 0.00 0.00 51.96 51.24 1i01 s ALA 36 Cb -0.05 0.85 0.48 0.00 0.00 0.00 0.00 23.12 24.39 1i01 s ALA 36 CO 0.15 -0.54 1.63 1.79 0.00 0.00 0.00 175.76 178.80 1i01 h THR 37 N 2.76 0.00 -1.00 0.00 1.35 -1.90 0.46 112.91 114.58 1i01 h THR 37 Ca -0.34 -0.82 -0.65 0.00 -0.55 0.00 0.00 66.41 64.06 1i01 h THR 37 Cb 1.21 1.78 -0.12 0.00 -1.73 0.00 0.00 68.15 69.29 1i01 h THR 37 CO 0.56 0.00 -0.54 -0.94 -0.25 0.00 0.00 175.52 174.35 1i01 s SER 38 N -5.57 4.08 0.25 5.36 1.04 -1.26 -4.68 113.70 112.92 1i01 s SER 38 Ca 0.08 -1.47 0.19 0.00 0.48 0.00 0.00 55.95 55.23 1i01 s SER 38 Cb 0.08 0.06 0.07 0.00 0.10 0.00 0.00 66.02 66.33 1i01 s SER 38 CO 0.65 -0.68 1.26 -0.33 0.98 0.00 0.00 173.24 175.13 1i01 h GLU 39 N 1.50 0.00 0.06 4.02 4.39 -1.97 -2.90 114.58 119.68 1i01 h GLU 39 Ca -0.44 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 1i01 h GLU 39 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1i01 h GLU 39 CO 0.76 0.23 -0.03 -0.91 -1.16 0.00 0.00 179.01 177.90 1i01 h ASN 40 N 0.00 -0.06 -0.78 1.42 2.35 -1.99 -1.86 115.58 114.66 1i01 h ASN 40 Ca -0.04 -0.45 0.07 0.00 -0.55 0.00 0.00 56.30 55.33 1i01 h ASN 40 Cb 1.25 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 39.59 1i01 h ASN 40 CO 0.03 0.43 0.51 1.23 -1.65 0.00 0.00 177.43 177.99 1i01 h GLY 41 N -0.58 1.06 0.88 2.83 0.00 -1.96 0.63 103.07 105.93 1i01 h GLY 41 Ca -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1i01 h GLY 41 CO 0.01 0.23 0.06 0.00 0.00 0.00 0.00 176.54 176.84 1i01 h ALA 42 N 1.58 0.38 -0.43 3.60 0.00 -1.39 -1.15 119.26 121.86 1i01 h ALA 42 Ca 0.34 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1i01 h ALA 42 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1i01 h ALA 42 CO -0.12 0.06 -0.08 0.37 0.00 0.00 0.00 179.25 179.48 1i01 h GLN 43 N 0.30 0.74 -0.78 0.00 5.75 -0.47 -0.73 115.11 119.92 1i01 h GLN 43 Ca 0.09 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.35 1i01 h GLN 43 Cb 0.32 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 1i01 h GLN 43 CO 0.00 0.80 0.44 0.00 -2.65 0.00 0.00 178.83 177.43 1i01 h ALA 44 N 1.24 1.31 -0.42 3.38 0.00 -0.69 0.13 119.26 124.21 1i01 h ALA 44 Ca 0.12 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1i01 h ALA 44 Cb 0.53 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1i01 h ALA 44 CO 0.03 0.57 -0.11 0.82 0.00 0.00 0.00 179.25 180.56 1i01 h ILE 45 N 1.08 1.27 -0.36 0.00 2.04 -0.64 -2.54 117.51 118.37 1i01 h ILE 45 Ca 0.28 -1.22 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 1i01 h ILE 45 Cb 0.00 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1i01 h ILE 45 CO -0.05 0.41 0.13 0.28 0.00 0.00 0.00 178.15 178.92 1i01 h SER 46 N 0.63 0.46 -0.52 1.72 0.02 -0.31 -1.33 113.55 114.21 1i01 h SER 46 Ca 0.10 -0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1i01 h SER 46 Cb 0.65 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1i01 h SER 46 CO 0.04 0.43 0.12 0.44 -1.14 0.00 0.00 176.83 176.72 1i01 h ASP 47 N 0.50 0.80 1.37 3.07 3.32 -0.41 -1.01 116.42 124.06 1i01 h ASP 47 Ca 0.12 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1i01 h ASP 47 Cb 0.13 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1i01 h ASP 47 CO -0.01 0.83 -0.52 0.10 -1.72 0.00 0.00 179.24 177.91 1i01 h TYR 48 N 0.73 0.00 0.06 4.55 -0.00 -1.15 -3.32 116.97 117.84 1i01 h TYR 48 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 58.73 58.62 1i01 h TYR 48 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.06 1i01 h TYR 48 CO 0.02 0.00 -1.37 -0.07 -0.00 0.00 0.00 178.16 176.74 1i01 h LEU 49 N 0.00 0.20 0.00 0.10 3.38 -1.18 -3.49 115.31 114.33 1i01 h LEU 49 Ca 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1i01 h LEU 49 Cb 0.95 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1i01 h LEU 49 CO 0.00 1.22 0.00 0.61 0.09 0.00 0.00 178.44 180.36 1i01 n GLY 50 N 1.54 3.25 0.00 0.83 0.00 -0.39 -1.63 105.19 108.79 1i01 n GLY 50 Ca -0.11 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.82 1i01 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i01 n ALA 51 N 10.41 1.75 1.48 4.61 0.00 -1.26 -2.68 120.51 134.83 1i01 n ALA 51 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.51 1i01 n ALA 51 Cb 0.00 -1.26 0.51 0.00 0.00 0.00 0.00 19.45 18.70 1i01 n ALA 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1i01 n ASN 52 N -1.47 1.32 0.00 0.00 3.02 -0.65 -5.01 115.26 112.48 1i01 n ASN 52 Ca 0.04 -1.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 1i01 n ASN 52 Cb 0.18 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1i01 n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i01 n GLY 53 N 1.12 -0.63 3.49 7.41 0.00 -1.09 -1.12 105.19 114.36 1i01 n GLY 53 Ca 0.18 -0.57 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1i01 n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i01 s LYS 54 N -0.64 1.03 -0.08 1.61 2.20 -0.27 -4.57 119.74 119.02 1i01 s LYS 54 Ca 0.00 -0.14 -0.01 0.00 -0.36 0.00 0.00 55.97 55.46 1i01 s LYS 54 Cb 0.00 0.48 -0.03 0.00 -1.51 0.00 0.00 37.83 36.77 1i01 s LYS 54 CO 0.00 -0.40 -0.03 0.20 -0.36 0.00 0.00 175.35 174.76 1i01 s GLY 55 N -2.02 1.78 0.00 5.54 0.00 -1.25 -1.71 107.32 109.67 1i01 s GLY 55 Ca -0.02 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.89 1i01 s GLY 55 CO -0.03 -0.58 -0.10 1.08 0.00 0.00 0.00 173.10 173.47 1i01 s LEU 56 N -0.79 2.06 0.02 0.66 1.43 -0.55 -4.66 118.68 116.84 1i01 s LEU 56 Ca 0.12 -0.24 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 1i01 s LEU 56 Cb -0.11 -0.47 -0.06 0.00 0.03 0.00 0.00 46.19 45.58 1i01 s LEU 56 CO 0.02 0.08 1.37 -0.32 0.23 0.00 0.00 176.35 177.72 1i01 s MET 57 N -0.45 4.31 -0.03 1.70 -2.45 -1.26 -2.55 119.30 118.56 1i01 s MET 57 Ca 0.02 1.94 -0.02 0.00 -1.25 0.00 0.00 55.69 56.38 1i01 s MET 57 Cb -0.05 -3.51 0.01 0.00 1.25 0.00 0.00 34.83 32.54 1i01 s MET 57 CO -0.00 -0.52 0.07 -1.17 1.05 0.00 0.00 175.02 174.45 1i01 s LEU 58 N 2.10 1.52 -0.44 4.11 2.96 0.16 -4.90 118.68 124.19 1i01 s LEU 58 Ca 0.63 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.70 1i01 s LEU 58 Cb -0.31 0.18 0.12 0.00 0.50 0.00 0.00 46.19 46.68 1i01 s LEU 58 CO 0.27 -0.06 0.18 0.21 -1.32 0.00 0.00 176.35 175.63 1i01 s ASN 59 N 0.36 4.35 0.02 3.68 2.47 -1.26 -3.87 114.94 120.69 1i01 s ASN 59 Ca -0.03 -2.62 0.01 0.00 0.42 0.00 0.00 52.86 50.64 1i01 s ASN 59 Cb -0.04 -1.52 0.05 0.00 -1.45 0.00 0.00 41.25 38.29 1i01 s ASN 59 CO -0.01 -0.29 0.86 1.33 -3.72 0.00 0.00 177.10 175.27 1i01 n VAL 60 N 3.62 1.29 -0.01 -5.21 0.24 -1.26 -1.29 118.33 115.71 1i01 n VAL 60 Ca 0.05 0.51 -0.08 0.00 -2.04 0.00 0.00 64.34 62.78 1i01 n VAL 60 Cb 0.36 -1.51 -0.13 0.00 -1.47 0.00 0.00 33.84 31.08 1i01 n VAL 60 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1i01 h THR 61 N 0.00 0.95 -3.60 3.34 1.35 -1.94 -3.42 112.91 109.59 1i01 h THR 61 Ca 0.00 -2.77 -0.63 0.00 -0.55 0.00 0.00 66.41 62.46 1i01 h THR 61 Cb 0.35 2.46 -0.13 0.00 -1.73 0.00 0.00 68.15 69.09 1i01 h THR 61 CO 0.00 0.54 0.28 -0.62 -0.25 0.00 0.00 175.52 175.47 1i01 s ASP 62 N -6.17 6.41 0.53 5.36 3.68 -0.41 -4.96 116.67 121.11 1i01 s ASP 62 Ca -0.04 -0.08 0.22 0.00 2.13 0.00 0.00 52.55 54.79 1i01 s ASP 62 Cb 0.08 -2.36 1.36 0.00 -1.45 0.00 0.00 42.92 40.55 1i01 s ASP 62 CO 0.82 -0.82 2.05 -0.65 0.13 0.00 0.00 175.17 176.70 1i01 h PRO 63 N 8.83 0.00 -0.34 4.34 0.11 -1.87 -1.62 132.00 141.44 1i01 h PRO 63 Ca -0.25 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.71 1i01 h PRO 63 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1i01 h PRO 63 CO 0.92 0.00 -0.37 0.00 -0.21 0.00 0.00 178.00 178.34 1i01 h ALA 64 N 1.82 0.70 -0.62 -0.75 0.00 -1.94 -2.97 119.26 115.51 1i01 h ALA 64 Ca 0.17 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1i01 h ALA 64 Cb 0.68 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1i01 h ALA 64 CO -0.00 0.66 0.04 1.03 0.00 0.00 0.00 179.25 180.99 1i01 h SER 65 N 0.66 1.02 -0.01 0.00 0.87 -1.60 -1.74 113.55 112.75 1i01 h SER 65 Ca 0.06 -0.27 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1i01 h SER 65 Cb 0.93 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1i01 h SER 65 CO 0.09 1.04 0.01 0.40 -0.53 0.00 0.00 176.83 177.84 1i01 h ILE 66 N 0.97 1.05 -0.95 2.23 2.04 -1.47 -0.42 117.51 120.97 1i01 h ILE 66 Ca 0.18 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.91 1i01 h ILE 66 Cb 0.50 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1i01 h ILE 66 CO 0.02 0.04 0.62 -0.08 0.00 0.00 0.00 178.15 178.76 1i01 h GLU 67 N -0.04 1.20 -0.14 2.37 4.81 -1.41 -1.11 114.58 120.25 1i01 h GLU 67 Ca 0.00 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 1i01 h GLU 67 Cb 0.06 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1i01 h GLU 67 CO -0.00 0.79 0.01 1.03 -0.73 0.00 0.00 179.01 180.11 1i01 h SER 68 N 1.23 0.24 -0.29 1.04 0.87 -0.97 -2.20 113.55 113.46 1i01 h SER 68 Ca 0.36 -0.29 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1i01 h SER 68 Cb -0.06 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1i01 h SER 68 CO -0.10 0.47 0.11 0.58 -0.53 0.00 0.00 176.83 177.36 1i01 h VAL 69 N -0.01 1.19 -0.19 2.23 2.07 -0.81 -1.98 116.25 118.76 1i01 h VAL 69 Ca 0.04 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1i01 h VAL 69 Cb 0.35 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1i01 h VAL 69 CO 0.01 0.20 0.09 -0.07 0.02 0.00 0.00 177.57 177.82 1i01 h LEU 70 N 0.32 0.22 -0.26 2.57 3.38 -1.22 -1.29 115.31 119.03 1i01 h LEU 70 Ca 0.10 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1i01 h LEU 70 Cb 0.21 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1i01 h LEU 70 CO -0.01 0.19 -0.34 -0.08 0.09 0.00 0.00 178.44 178.29 1i01 h GLU 71 N 0.26 0.70 -0.58 1.13 4.57 -1.03 -0.65 114.58 118.97 1i01 h GLU 71 Ca 0.07 -0.40 -0.02 0.00 -1.18 0.00 0.00 59.36 57.83 1i01 h GLU 71 Cb 0.02 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1i01 h GLU 71 CO -0.01 1.02 0.30 0.87 -1.18 0.00 0.00 179.01 180.00 1i01 h LYS 72 N 0.43 0.83 -0.59 1.92 1.57 -0.72 -0.85 116.57 119.16 1i01 h LYS 72 Ca 0.03 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1i01 h LYS 72 Cb 0.93 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 1i01 h LYS 72 CO 0.08 0.66 0.12 0.82 -0.57 0.00 0.00 179.45 180.56 1i01 h ILE 73 N 0.79 1.25 -0.71 1.86 2.04 -1.20 -2.04 117.51 119.51 1i01 h ILE 73 Ca 0.20 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1i01 h ILE 73 Cb 0.09 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1i01 h ILE 73 CO -0.03 0.35 0.36 -0.09 0.00 0.00 0.00 178.15 178.74 1i01 h ARG 74 N 0.86 1.01 0.00 2.37 9.65 -0.84 0.37 114.38 127.79 1i01 h ARG 74 Ca 0.18 -0.14 -0.10 0.00 -1.10 0.00 0.00 59.98 58.83 1i01 h ARG 74 Cb 0.39 -0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 1i01 h ARG 74 CO 0.01 0.78 -0.48 0.00 2.80 0.00 0.00 179.97 183.08 1i01 h ALA 75 N 1.18 0.81 0.00 2.80 0.00 -1.06 -3.26 119.26 119.73 1i01 h ALA 75 Ca 0.25 -0.43 -0.41 0.00 0.00 0.00 0.00 54.91 54.31 1i01 h ALA 75 Cb 0.08 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1i01 h ALA 75 CO -0.03 0.60 -2.43 -1.91 0.00 0.00 0.00 179.25 175.47 1i01 n GLU 76 N -3.39 0.58 -0.06 0.00 2.13 -0.78 -4.88 120.64 114.25 1i01 n GLU 76 Ca 0.01 0.20 -0.09 0.00 0.66 0.00 0.00 57.16 57.93 1i01 n GLU 76 Cb 0.64 -1.45 -0.05 0.00 0.27 0.00 0.00 31.44 30.84 1i01 n GLU 76 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1i01 n PHE 77 N -3.74 0.00 0.00 4.31 3.01 0.11 -5.09 117.46 116.06 1i01 n PHE 77 Ca -0.48 0.00 0.00 0.00 1.01 0.00 0.00 57.45 57.98 1i01 n PHE 77 Cb 0.91 -0.44 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 1i01 n PHE 77 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i01 n GLY 78 N 2.77 0.84 3.87 1.37 0.00 -0.23 -5.00 105.19 108.81 1i01 n GLY 78 Ca -0.21 -1.77 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 1i01 n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i01 s GLU 79 N -1.89 3.84 -0.10 1.61 8.01 -1.26 -3.22 118.70 125.69 1i01 s GLU 79 Ca 0.00 0.55 -0.30 0.00 0.01 0.00 0.00 54.97 55.24 1i01 s GLU 79 Cb 0.00 -2.37 -0.01 0.00 -4.31 0.00 0.00 34.13 27.43 1i01 s GLU 79 CO 0.00 -0.03 1.04 0.08 0.01 0.00 0.00 175.26 176.36 1i01 s VAL 80 N -2.33 4.69 -0.19 2.63 1.01 -1.26 -4.56 120.40 120.39 1i01 s VAL 80 Ca 0.53 1.97 0.13 0.00 0.00 0.00 0.00 61.98 64.60 1i01 s VAL 80 Cb -0.10 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 31.78 1i01 s VAL 80 CO 0.29 0.00 0.10 0.47 0.00 0.00 0.00 175.10 175.96 1i01 n ASP 81 N 5.06 0.61 -3.94 3.32 8.00 0.18 -4.63 116.55 125.16 1i01 n ASP 81 Ca 0.09 0.04 -0.26 0.00 0.71 0.00 0.00 54.79 55.36 1i01 n ASP 81 Cb 0.48 0.49 -0.17 0.00 -0.02 0.00 0.00 41.12 41.91 1i01 n ASP 81 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i01 s ILE 82 N -2.51 1.07 -0.18 0.53 1.01 -0.62 -1.80 121.20 118.70 1i01 s ILE 82 Ca -0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1i01 s ILE 82 Cb 0.07 -1.06 -0.00 0.00 0.01 0.00 0.00 42.46 41.48 1i01 s ILE 82 CO 0.78 0.37 -0.12 -0.22 0.00 0.00 0.00 174.94 175.75 1i01 s LEU 83 N 1.45 2.59 -0.23 2.97 2.96 -0.01 -0.06 118.68 128.36 1i01 s LEU 83 Ca 0.00 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 1i01 s LEU 83 Cb -0.13 -1.62 0.05 0.00 0.50 0.00 0.00 46.19 44.99 1i01 s LEU 83 CO -0.06 0.04 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.19 1i01 s VAL 84 N 1.09 2.04 -0.31 1.68 1.01 -0.28 -0.45 120.40 125.18 1i01 s VAL 84 Ca 0.00 -1.35 -0.18 0.00 0.00 0.00 0.00 61.98 60.45 1i01 s VAL 84 Cb -0.14 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1i01 s VAL 84 CO -0.03 0.15 0.53 0.20 0.00 0.00 0.00 175.10 175.95 1i01 s ASN 85 N 1.20 6.38 -0.37 3.32 0.01 0.14 -1.84 114.94 123.78 1i01 s ASN 85 Ca -0.04 0.24 -0.05 0.00 -0.71 0.00 0.00 52.86 52.30 1i01 s ASN 85 Cb -0.18 -2.28 0.07 0.00 0.41 0.00 0.00 41.25 39.28 1i01 s ASN 85 CO -0.08 -0.41 0.15 0.20 -1.51 0.00 0.00 177.10 175.45 1i01 s ASN 86 N 1.67 5.29 0.94 -1.22 0.01 -1.24 -0.43 114.94 119.96 1i01 s ASN 86 Ca 0.21 -1.54 -0.14 0.00 -0.71 0.00 0.00 52.86 50.68 1i01 s ASN 86 Cb -0.15 -1.85 0.16 0.00 0.41 0.00 0.00 41.25 39.81 1i01 s ASN 86 CO 0.12 -0.43 1.17 0.00 -1.51 0.00 0.00 177.10 176.44 1i01 s ALA 87 N 1.29 1.85 0.00 0.60 0.00 -1.25 -4.52 121.76 119.73 1i01 s ALA 87 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.28 1i01 s ALA 87 Cb -0.21 -2.96 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1i01 s ALA 87 CO -0.00 -2.36 0.00 0.41 0.00 0.00 0.00 175.76 173.80 1i01 n GLY 88 N -2.49 0.17 0.00 0.00 0.00 -1.26 -4.95 105.19 96.65 1i01 n GLY 88 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1i01 n GLY 88 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1i01 n ASN 93 N 0.00 0.00 -4.72 1.61 5.15 -1.26 -5.01 115.26 111.03 1i01 n ASN 93 Ca 0.00 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.55 1i01 n ASN 93 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 1i01 n ASN 93 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1i01 n LEU 94 N 0.00 3.87 -0.06 1.20 4.77 -1.26 -4.91 117.00 120.61 1i01 n LEU 94 Ca 0.00 1.17 -0.07 0.00 -0.03 0.00 0.00 56.01 57.07 1i01 n LEU 94 Cb 0.00 -1.52 -0.02 0.00 -2.33 0.00 0.00 43.42 39.55 1i01 n LEU 94 CO 0.00 -0.17 0.80 0.25 -1.33 0.00 0.00 177.39 176.95 1i01 h LEU 95 N 3.99 -0.30 -0.76 2.23 5.85 -2.06 -2.25 115.31 122.01 1i01 h LEU 95 Ca -0.47 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1i01 h LEU 95 Cb 1.25 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1i01 h LEU 95 CO 0.73 -0.11 0.00 0.24 -0.34 0.00 0.00 178.44 178.96 1i01 h MET 96 N -0.04 0.00 -0.54 1.25 2.86 -2.05 -2.87 114.93 113.53 1i01 h MET 96 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1i01 h MET 96 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1i01 h MET 96 CO -0.28 0.00 0.00 -2.13 1.06 0.00 0.00 176.91 175.56 1i01 n ARG 97 N -2.44 2.58 -1.51 1.72 0.63 -0.88 -4.98 116.66 111.79 1i01 n ARG 97 Ca 0.02 -2.41 -0.31 0.00 -0.92 0.00 0.00 57.85 54.23 1i01 n ARG 97 Cb 0.27 -1.54 0.07 0.00 0.45 0.00 0.00 32.46 31.72 1i01 n ARG 97 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1i01 s MET 98 N -1.29 2.47 0.05 -0.14 -1.94 -1.04 -4.93 119.30 112.49 1i01 s MET 98 Ca 0.43 0.86 0.06 0.00 -1.71 0.00 0.00 55.69 55.34 1i01 s MET 98 Cb 0.24 -1.94 -0.03 0.00 2.01 0.00 0.00 34.83 35.10 1i01 s MET 98 CO 0.32 -1.40 -0.13 -1.59 -0.01 0.00 0.00 175.02 172.20 1i01 s LYS 99 N -5.06 2.19 0.48 2.03 0.00 -1.26 -5.00 119.74 113.12 1i01 s LYS 99 Ca 0.60 -0.93 0.31 0.00 0.00 0.00 0.00 55.97 55.94 1i01 s LYS 99 Cb -0.15 -2.29 1.40 0.00 0.00 0.00 0.00 37.83 36.79 1i01 s LYS 99 CO 0.55 0.55 1.75 -0.44 0.00 0.00 0.00 175.35 177.75 1i01 h ASP 100 N 4.30 0.19 0.20 0.03 5.19 -1.99 0.99 116.42 125.32 1i01 h ASP 100 Ca -0.48 0.05 0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1i01 h ASP 100 Cb 1.16 0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.66 1i01 h ASP 100 CO 0.50 -0.00 -0.38 -0.08 -3.12 0.00 0.00 179.24 176.15 1i01 h GLU 101 N 0.14 -0.64 -0.08 3.56 4.22 -1.99 -0.15 114.58 119.64 1i01 h GLU 101 Ca 0.64 0.04 -0.00 0.00 0.08 0.00 0.00 59.36 60.13 1i01 h GLU 101 Cb 2.17 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 31.57 1i01 h GLU 101 CO -0.17 -0.43 0.05 1.49 -2.18 0.00 0.00 179.01 177.77 1i01 h GLU 102 N -0.67 0.11 -0.72 1.92 4.81 -1.22 -1.82 114.58 117.00 1i01 h GLU 102 Ca 0.01 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1i01 h GLU 102 Cb 0.66 -0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.93 1i01 h GLU 102 CO -0.18 0.13 0.29 2.35 -0.73 0.00 0.00 179.01 180.88 1i01 h TRP 103 N 0.06 0.50 -0.50 0.92 2.91 -1.32 -0.90 115.95 117.62 1i01 h TRP 103 Ca 0.03 0.03 -0.07 0.00 1.13 0.00 0.00 58.89 60.01 1i01 h TRP 103 Cb 0.05 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.57 1i01 h TRP 103 CO -0.05 0.09 0.03 -0.91 -1.03 0.00 0.00 178.44 176.57 1i01 h ASN 104 N 0.46 0.84 0.12 2.65 2.35 -0.77 -2.44 115.58 118.79 1i01 h ASN 104 Ca 0.38 -0.29 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 1i01 h ASN 104 Cb 0.53 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 1i01 h ASN 104 CO -0.36 0.93 -0.35 0.44 -1.65 0.00 0.00 177.43 176.43 1i01 h ASP 105 N 0.73 0.33 -0.20 5.81 3.32 -0.58 0.13 116.42 125.97 1i01 h ASP 105 Ca 0.15 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.00 1i01 h ASP 105 Cb 0.48 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1i01 h ASP 105 CO 0.02 0.67 -0.12 0.40 -1.72 0.00 0.00 179.24 178.49 1i01 h ILE 106 N 0.28 1.31 -0.56 0.35 1.08 -1.10 0.47 117.51 119.34 1i01 h ILE 106 Ca 0.03 -1.21 -0.06 0.00 -0.39 0.00 0.00 64.86 63.23 1i01 h ILE 106 Cb 0.75 1.68 -0.02 0.00 -3.07 0.00 0.00 36.82 36.16 1i01 h ILE 106 CO 0.06 0.37 0.11 0.40 -0.69 0.00 0.00 178.15 178.40 1i01 h ILE 107 N 0.12 1.25 0.67 -0.67 1.08 -1.30 0.53 117.51 119.19 1i01 h ILE 107 Ca 0.04 -0.93 -0.03 0.00 -0.39 0.00 0.00 64.86 63.55 1i01 h ILE 107 Cb 0.63 0.77 0.01 0.00 -3.07 0.00 0.00 36.82 35.16 1i01 h ILE 107 CO 0.03 0.34 -0.32 -0.08 -0.69 0.00 0.00 178.15 177.43 1i01 h GLU 108 N 0.81 -0.86 -0.34 2.37 4.81 -0.63 0.36 114.58 121.10 1i01 h GLU 108 Ca 0.17 0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 1i01 h GLU 108 Cb 0.38 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1i01 h GLU 108 CO 0.01 -0.57 -0.16 1.15 -0.73 0.00 0.00 179.01 178.71 1i01 h THR 109 N -1.22 1.25 0.00 0.32 2.02 -0.08 -1.47 112.91 113.73 1i01 h THR 109 Ca -0.09 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 65.94 1i01 h THR 109 Cb 0.70 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1i01 h THR 109 CO 0.15 0.38 -1.37 0.59 0.37 0.00 0.00 175.52 175.64 1i01 n ASN 110 N -4.16 0.84 0.03 4.18 5.03 0.18 -4.55 115.26 116.80 1i01 n ASN 110 Ca 0.01 -0.42 -0.00 0.00 0.87 0.00 0.00 54.58 55.03 1i01 n ASN 110 Cb 0.36 1.45 -0.00 0.00 -1.02 0.00 0.00 39.78 40.57 1i01 n ASN 110 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1i01 n LEU 111 N -1.80 0.72 -0.01 3.41 7.94 0.15 -4.69 117.00 122.71 1i01 n LEU 111 Ca -0.00 0.09 0.07 0.00 -1.11 0.00 0.00 56.01 55.06 1i01 n LEU 111 Cb 0.38 -0.23 0.46 0.00 0.53 0.00 0.00 43.42 44.56 1i01 n LEU 111 CO 0.37 -0.65 1.17 0.28 -1.11 0.00 0.00 177.39 177.44 1i01 h SER 112 N -0.02 0.41 -0.37 1.96 0.02 -0.43 -2.34 113.55 112.79 1i01 h SER 112 Ca 0.00 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1i01 h SER 112 Cb 0.02 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1i01 h SER 112 CO 0.00 0.29 -0.01 0.77 -1.14 0.00 0.00 176.83 176.73 1i01 h SER 113 N 0.48 0.72 -0.21 3.07 4.64 -1.48 -0.69 113.55 120.09 1i01 h SER 113 Ca 0.18 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1i01 h SER 113 Cb 0.13 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1i01 h SER 113 CO -0.04 0.80 -0.14 0.58 -0.87 0.00 0.00 176.83 177.16 1i01 h VAL 114 N 0.70 1.25 -0.35 0.95 2.07 -1.70 -0.45 116.25 118.72 1i01 h VAL 114 Ca 0.14 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 1i01 h VAL 114 Cb 0.45 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1i01 h VAL 114 CO 0.02 0.37 0.02 0.15 0.02 0.00 0.00 177.57 178.15 1i01 h PHE 115 N 0.55 0.67 -0.47 1.57 3.57 -1.23 -1.04 116.94 120.55 1i01 h PHE 115 Ca 0.10 -0.11 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1i01 h PHE 115 Cb 0.55 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1i01 h PHE 115 CO 0.02 0.71 -0.22 0.00 -2.23 0.00 0.00 178.31 176.58 1i01 h ARG 116 N 0.43 0.97 -0.21 1.11 3.08 -0.83 -2.12 114.38 116.82 1i01 h ARG 116 Ca 0.10 -0.42 -0.10 0.00 0.07 0.00 0.00 59.98 59.63 1i01 h ARG 116 Cb 0.43 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1i01 h ARG 116 CO 0.01 1.09 -0.27 -0.07 -1.07 0.00 0.00 179.97 179.66 1i01 h LEU 117 N 0.84 0.59 -1.01 3.04 3.38 -1.05 -2.17 115.31 118.93 1i01 h LEU 117 Ca 0.11 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1i01 h LEU 117 Cb 0.80 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 1i01 h LEU 117 CO 0.07 0.98 0.59 0.28 0.09 0.00 0.00 178.44 180.45 1i01 h SER 118 N 0.22 1.12 -0.70 -0.43 0.02 -1.21 -2.09 113.55 110.48 1i01 h SER 118 Ca 0.02 -0.05 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1i01 h SER 118 Cb 0.84 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 1i01 h SER 118 CO 0.06 0.84 0.17 0.50 -1.14 0.00 0.00 176.83 177.26 1i01 h LYS 119 N 1.30 1.13 0.00 3.45 3.64 -1.34 -2.06 116.57 122.70 1i01 h LYS 119 Ca 0.34 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1i01 h LYS 119 Cb -0.10 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 1i01 h LYS 119 CO -0.07 1.00 -0.30 0.00 -2.27 0.00 0.00 179.45 177.81 1i01 h ALA 120 N 1.08 1.16 0.00 5.00 0.00 -0.72 -3.27 119.26 122.52 1i01 h ALA 120 Ca 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1i01 h ALA 120 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1i01 h ALA 120 CO 0.00 0.38 -0.91 1.33 0.00 0.00 0.00 179.25 180.06 1i01 n VAL 121 N -3.69 0.00 -0.34 0.00 0.24 -0.95 -4.66 118.33 108.93 1i01 n VAL 121 Ca -0.01 -0.15 -0.04 0.00 -2.04 0.00 0.00 64.34 62.11 1i01 n VAL 121 Cb 0.41 0.89 0.09 0.00 -1.47 0.00 0.00 33.84 33.76 1i01 n VAL 121 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 1i01 h MET 122 N 0.00 1.26 0.17 7.34 2.07 -1.42 -3.02 114.93 121.34 1i01 h MET 122 Ca 0.00 -0.14 0.00 0.00 -2.07 0.00 0.00 59.70 57.50 1i01 h MET 122 Cb 0.44 -0.25 -0.03 0.00 -1.87 0.00 0.00 31.60 29.88 1i01 h MET 122 CO 0.00 0.91 -0.40 0.00 1.07 0.00 0.00 176.91 178.49 1i01 h ARG 123 N 1.27 -0.60 -0.72 1.72 3.08 -1.83 0.19 114.38 117.49 1i01 h ARG 123 Ca 0.32 0.04 0.15 0.00 0.07 0.00 0.00 59.98 60.56 1i01 h ARG 123 Cb 0.00 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 30.09 1i01 h ARG 123 CO -0.05 -0.40 0.20 0.00 -1.07 0.00 0.00 179.97 178.65 1i01 h ALA 124 N -0.87 0.95 -0.34 0.04 0.00 -1.89 0.10 119.26 117.24 1i01 h ALA 124 Ca -0.02 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1i01 h ALA 124 Cb 0.60 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1i01 h ALA 124 CO -0.17 -0.30 0.18 0.52 0.00 0.00 0.00 179.25 179.47 1i01 h MET 125 N 0.31 0.36 -0.07 0.00 2.86 -1.26 -1.52 114.93 115.61 1i01 h MET 125 Ca 0.40 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.97 1i01 h MET 125 Cb 0.65 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1i01 h MET 125 CO -0.47 0.24 -0.19 0.52 1.06 0.00 0.00 176.91 178.07 1i01 h MET 126 N 0.37 0.11 -0.31 1.72 2.07 0.75 0.71 114.93 120.35 1i01 h MET 126 Ca 0.14 -0.03 -0.04 0.00 -2.07 0.00 0.00 59.70 57.70 1i01 h MET 126 Cb 0.04 -0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 29.74 1i01 h MET 126 CO -0.09 0.31 0.02 0.87 1.07 0.00 0.00 176.91 179.09 1i01 h LYS 127 N 0.11 0.53 0.00 1.72 1.57 -0.22 -2.34 116.57 117.94 1i01 h LYS 127 Ca 0.02 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1i01 h LYS 127 Cb 0.40 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1i01 h LYS 127 CO 0.03 0.65 0.00 1.63 -0.57 0.00 0.00 179.45 181.19 1i01 n LYS 128 N -4.59 0.23 -2.87 3.15 5.02 -0.65 -4.90 118.16 113.55 1i01 n LYS 128 Ca -0.02 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 1i01 n LYS 128 Cb 0.24 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.77 1i01 n LYS 128 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1i01 n ARG 129 N -1.38 -3.80 -3.65 1.97 0.63 0.17 -4.96 116.66 105.64 1i01 n ARG 129 Ca 0.11 0.87 -0.11 0.00 -0.92 0.00 0.00 57.85 57.79 1i01 n ARG 129 Cb 0.27 -5.65 -0.08 0.00 0.45 0.00 0.00 32.46 27.45 1i01 n ARG 129 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1i01 s HIS 130 N -3.08 -0.82 -0.21 -0.14 2.46 -0.79 -4.20 115.29 108.51 1i01 s HIS 130 Ca 0.22 1.83 -0.35 0.00 0.47 0.00 0.00 55.06 57.24 1i01 s HIS 130 Cb -0.10 0.38 0.15 0.00 -0.13 0.00 0.00 32.58 32.87 1i01 s HIS 130 CO 0.27 -0.41 1.23 0.20 -2.47 0.00 0.00 174.74 173.57 1i01 s GLY 131 N 0.89 -0.24 -0.02 1.59 0.00 -0.82 -4.56 107.32 104.16 1i01 s GLY 131 Ca -0.04 1.79 0.00 0.00 0.00 0.00 0.00 44.72 46.47 1i01 s GLY 131 CO -0.08 0.63 0.02 0.50 0.00 0.00 0.00 173.10 174.17 1i01 s ARG 132 N -2.16 0.12 -0.15 2.90 1.81 -0.75 -1.76 118.95 118.97 1i01 s ARG 132 Ca 0.09 0.13 -0.01 0.00 -1.72 0.00 0.00 55.73 54.22 1i01 s ARG 132 Cb -0.01 -0.35 0.04 0.00 -0.45 0.00 0.00 34.95 34.18 1i01 s ARG 132 CO -0.04 -0.15 -0.04 0.42 -0.68 0.00 0.00 175.30 174.80 1i01 s ILE 133 N 1.02 0.97 -0.09 1.52 1.01 -0.33 -0.83 121.20 124.47 1i01 s ILE 133 Ca -0.09 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1i01 s ILE 133 Cb -0.13 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.20 1i01 s ILE 133 CO -0.02 0.15 -0.18 -0.63 0.00 0.00 0.00 174.94 174.26 1i01 s ILE 134 N 1.70 1.61 -0.11 2.92 1.01 0.40 -1.01 121.20 127.73 1i01 s ILE 134 Ca 0.02 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1i01 s ILE 134 Cb -0.15 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1i01 s ILE 134 CO -0.08 0.46 -0.12 -0.89 0.00 0.00 0.00 174.94 174.31 1i01 s THR 135 N 0.59 3.15 -0.20 2.92 2.01 -0.56 -0.68 115.64 122.87 1i01 s THR 135 Ca -0.15 -0.65 -0.13 0.00 0.31 0.00 0.00 61.69 61.08 1i01 s THR 135 Cb -0.17 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.00 1i01 s THR 135 CO 0.05 0.54 0.25 -0.63 -0.69 0.00 0.00 174.62 174.14 1i01 s ILE 136 N 0.01 5.31 0.83 1.82 1.09 0.42 -1.07 121.20 129.62 1i01 s ILE 136 Ca -0.04 0.42 -0.12 0.00 -1.10 0.00 0.00 60.65 59.82 1i01 s ILE 136 Cb -0.14 -3.59 0.09 0.00 -1.06 0.00 0.00 42.46 37.76 1i01 s ILE 136 CO 0.04 0.35 1.10 -0.83 -0.10 0.00 0.00 174.94 175.50 1i01 s GLY 137 N 0.77 1.61 0.31 6.18 0.00 0.12 -3.97 107.32 112.35 1i01 s GLY 137 Ca 0.13 -0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.33 1i01 s GLY 137 CO 0.04 0.23 1.27 -1.35 0.00 0.00 0.00 173.10 173.29 1i01 s SER 138 N -3.83 6.88 0.93 1.64 1.04 -1.26 -4.59 113.70 114.51 1i01 s SER 138 Ca 0.62 2.59 -0.12 0.00 0.48 0.00 0.00 55.95 59.52 1i01 s SER 138 Cb -0.15 -2.64 0.15 0.00 0.10 0.00 0.00 66.02 63.48 1i01 s SER 138 CO 0.55 -0.46 1.09 -0.69 0.98 0.00 0.00 173.24 174.71 1i01 s VAL 139 N -1.07 2.46 -0.64 5.02 1.01 -1.26 -4.72 120.40 121.19 1i01 s VAL 139 Ca 0.48 0.15 -0.22 0.00 0.00 0.00 0.00 61.98 62.39 1i01 s VAL 139 Cb -0.38 -2.63 0.08 0.00 0.00 0.00 0.00 36.38 33.44 1i01 s VAL 139 CO 0.50 -0.19 0.92 -0.69 0.00 0.00 0.00 175.10 175.63 1i01 s VAL 140 N -2.94 4.41 0.20 2.92 1.01 -0.99 -5.04 120.40 119.98 1i01 s VAL 140 Ca 0.64 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1i01 s VAL 140 Cb -0.18 -4.64 0.00 0.00 0.00 0.00 0.00 36.38 31.55 1i01 s VAL 140 CO 0.57 -1.39 0.00 0.00 0.00 0.00 0.00 175.10 174.28 1i01 n ALA 152 N 7.45 1.09 -0.06 5.51 0.00 -1.26 -5.01 120.51 128.24 1i01 n ALA 152 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 1i01 n ALA 152 Cb 0.45 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.83 1i01 n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i01 h ALA 153 N 0.00 0.23 -0.79 0.00 0.00 -2.02 0.12 119.26 116.80 1i01 h ALA 153 Ca 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1i01 h ALA 153 Cb 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1i01 h ALA 153 CO 0.00 0.06 0.47 0.00 0.00 0.00 0.00 179.25 179.78 1i01 h ALA 154 N 0.66 1.00 -0.26 0.00 0.00 -1.96 0.43 119.26 119.13 1i01 h ALA 154 Ca 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1i01 h ALA 154 Cb 0.59 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1i01 h ALA 154 CO 0.03 0.47 0.04 -0.22 0.00 0.00 0.00 179.25 179.56 1i01 h LYS 155 N 1.08 0.43 -0.30 0.00 3.64 -1.88 -0.54 116.57 119.00 1i01 h LYS 155 Ca 0.28 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 1i01 h LYS 155 Cb -0.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1i01 h LYS 155 CO -0.05 0.56 -0.30 0.00 -2.27 0.00 0.00 179.45 177.39 1i01 h ALA 156 N 0.85 0.92 -0.18 5.00 0.00 -0.50 -2.51 119.26 122.84 1i01 h ALA 156 Ca 0.08 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1i01 h ALA 156 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1i01 h ALA 156 CO 0.01 0.62 -0.31 0.78 0.00 0.00 0.00 179.25 180.34 1i01 h GLY 157 N 1.01 0.39 0.92 0.00 0.00 0.01 -1.81 103.07 103.59 1i01 h GLY 157 Ca 0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1i01 h GLY 157 CO 0.06 0.30 0.12 -2.00 0.00 0.00 0.00 176.54 175.03 1i01 h LEU 158 N 0.31 0.46 -0.65 3.11 5.85 -0.81 0.50 115.31 124.08 1i01 h LEU 158 Ca 0.04 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 1i01 h LEU 158 Cb 0.71 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1i01 h LEU 158 CO 0.05 0.51 0.04 0.40 -0.34 0.00 0.00 178.44 179.11 1i01 h ILE 159 N 0.37 1.27 -0.66 4.05 2.04 -1.30 -1.11 117.51 122.16 1i01 h ILE 159 Ca 0.11 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.77 1i01 h ILE 159 Cb 0.21 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1i01 h ILE 159 CO -0.01 0.41 0.09 1.23 0.00 0.00 0.00 178.15 179.88 1i01 h GLY 160 N 1.02 1.19 0.94 5.37 0.00 -1.11 -1.52 103.07 108.96 1i01 h GLY 160 Ca 0.19 -0.80 -0.05 0.00 0.00 0.00 0.00 47.33 46.67 1i01 h GLY 160 CO 0.02 0.74 0.08 -2.75 0.00 0.00 0.00 176.54 174.63 1i01 h PHE 161 N 1.03 0.72 -0.57 5.60 3.57 -0.66 -2.46 116.94 124.17 1i01 h PHE 161 Ca 0.20 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1i01 h PHE 161 Cb 0.46 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1i01 h PHE 161 CO 0.03 0.69 0.20 0.77 -2.23 0.00 0.00 178.31 177.78 1i01 h SER 162 N 0.54 0.80 -0.73 0.41 0.02 -0.99 0.72 113.55 114.32 1i01 h SER 162 Ca 0.13 -0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 1i01 h SER 162 Cb 0.35 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1i01 h SER 162 CO 0.01 0.78 0.21 0.11 -1.14 0.00 0.00 176.83 176.79 1i01 h LYS 163 N 0.79 1.15 -0.20 3.45 1.57 -1.25 0.15 116.57 122.23 1i01 h LYS 163 Ca 0.19 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1i01 h LYS 163 Cb 0.24 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1i01 h LYS 163 CO -0.01 0.99 -0.11 1.03 -0.57 0.00 0.00 179.45 180.78 1i01 h SER 164 N 1.10 0.44 -0.63 0.86 0.87 -1.18 -2.68 113.55 112.32 1i01 h SER 164 Ca 0.24 -0.42 -0.08 0.00 -1.23 0.00 0.00 61.79 60.30 1i01 h SER 164 Cb 0.33 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 1i01 h SER 164 CO -0.00 0.76 0.10 0.25 -0.53 0.00 0.00 176.83 177.40 1i01 h LEU 165 N 0.12 1.02 -0.59 2.23 5.85 -0.75 -2.72 115.31 120.48 1i01 h LEU 165 Ca 0.04 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.61 1i01 h LEU 165 Cb 0.60 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1i01 h LEU 165 CO 0.03 1.02 0.23 0.00 -0.34 0.00 0.00 178.44 179.38 1i01 h ALA 166 N 1.10 0.75 -0.09 1.25 0.00 -0.59 -0.94 119.26 120.74 1i01 h ALA 166 Ca 0.20 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1i01 h ALA 166 Cb 0.44 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1i01 h ALA 166 CO 0.01 -0.18 -0.28 0.00 0.00 0.00 0.00 179.25 178.81 1i01 h ARG 167 N 0.42 0.16 -0.15 0.00 3.08 -1.24 -1.81 114.38 114.83 1i01 h ARG 167 Ca 0.29 -0.05 -0.22 0.00 0.07 0.00 0.00 59.98 60.07 1i01 h ARG 167 Cb 0.33 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.38 1i01 h ARG 167 CO -0.28 0.43 -0.77 1.49 -1.07 0.00 0.00 179.97 179.77 1i01 h GLU 168 N 0.15 0.76 -0.28 0.04 4.81 -0.91 -3.35 114.58 115.79 1i01 h GLU 168 Ca 0.02 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1i01 h GLU 168 Cb 0.57 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1i01 h GLU 168 CO 0.04 1.22 0.00 1.33 -0.73 0.00 0.00 179.01 180.87 1i01 n VAL 169 N -3.93 0.55 -0.24 0.32 0.24 -0.61 -4.64 118.33 110.02 1i01 n VAL 169 Ca -0.07 -0.77 0.01 0.00 -2.04 0.00 0.00 64.34 61.47 1i01 n VAL 169 Cb 0.74 0.87 0.24 0.00 -1.47 0.00 0.00 33.84 34.22 1i01 n VAL 169 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1i01 h ALA 170 N 2.93 1.48 0.00 2.33 0.00 -1.44 -2.39 119.26 122.16 1i01 h ALA 170 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1i01 h ALA 170 Cb 0.74 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1i01 h ALA 170 CO 0.00 0.46 0.00 0.66 0.00 0.00 0.00 179.25 180.37 1i01 h SER 171 N 1.03 0.00 -0.42 0.00 4.64 -1.84 -2.57 113.55 114.38 1i01 h SER 171 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1i01 h SER 171 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1i01 h SER 171 CO -0.08 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.42 1i01 n ARG 172 N -2.33 2.25 -1.00 4.77 5.12 -0.90 -4.93 116.66 119.63 1i01 n ARG 172 Ca 0.02 -1.91 0.00 0.00 -1.93 0.00 0.00 57.85 54.02 1i01 n ARG 172 Cb 0.22 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 1i01 n ARG 172 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1i01 n GLY 173 N 1.38 0.64 3.41 -0.13 0.00 -0.97 -3.27 105.19 106.24 1i01 n GLY 173 Ca 0.18 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 1i01 n GLY 173 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i01 s ILE 174 N -2.00 3.08 0.00 -0.61 1.01 -1.20 -1.94 121.20 119.53 1i01 s ILE 174 Ca 0.00 -0.67 0.04 0.00 0.00 0.00 0.00 60.65 60.02 1i01 s ILE 174 Cb 0.00 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 1i01 s ILE 174 CO 0.00 0.55 -0.11 0.42 0.00 0.00 0.00 174.94 175.80 1i01 s THR 175 N 0.01 3.36 -0.18 2.92 -4.23 -0.72 -3.92 115.64 112.88 1i01 s THR 175 Ca -0.04 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.62 1i01 s THR 175 Cb -0.14 -2.43 0.04 0.00 1.34 0.00 0.00 72.50 71.31 1i01 s THR 175 CO 0.04 0.42 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.77 1i01 s VAL 176 N -0.93 1.34 0.26 2.29 1.01 -1.26 -1.18 120.40 121.92 1i01 s VAL 176 Ca 0.15 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1i01 s VAL 176 Cb -0.11 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1i01 s VAL 176 CO 0.06 0.16 0.05 0.20 0.00 0.00 0.00 175.10 175.57 1i01 s ASN 177 N 1.54 1.63 -0.03 3.32 0.01 -0.18 -0.11 114.94 121.12 1i01 s ASN 177 Ca 0.00 -1.31 0.04 0.00 -0.71 0.00 0.00 52.86 50.88 1i01 s ASN 177 Cb -0.15 0.06 -0.00 0.00 0.41 0.00 0.00 41.25 41.56 1i01 s ASN 177 CO -0.08 -0.62 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.06 1i01 s VAL 178 N -3.55 1.14 -0.20 1.60 1.01 -0.37 -1.50 120.40 118.53 1i01 s VAL 178 Ca 0.33 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1i01 s VAL 178 Cb 0.07 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 1i01 s VAL 178 CO 0.12 0.33 -0.08 -0.69 0.00 0.00 0.00 175.10 174.78 1i01 s VAL 179 N -0.04 3.17 -0.50 2.92 1.01 -0.23 -0.06 120.40 126.67 1i01 s VAL 179 Ca -0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 1i01 s VAL 179 Cb -0.09 -2.41 0.13 0.00 0.00 0.00 0.00 36.38 34.01 1i01 s VAL 179 CO 0.01 0.46 0.36 0.00 0.00 0.00 0.00 175.10 175.92 1i01 s ALA 180 N 1.23 3.41 0.60 5.51 0.00 -0.04 -0.70 121.76 131.77 1i01 s ALA 180 Ca 0.03 -2.69 -0.15 0.00 0.00 0.00 0.00 51.96 49.15 1i01 s ALA 180 Cb -0.14 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.19 1i01 s ALA 180 CO -0.03 -1.94 1.05 -1.25 0.00 0.00 0.00 175.76 173.59 1i01 s PRO 181 N 1.03 3.33 0.00 0.00 0.04 -1.26 -1.56 135.00 136.59 1i01 s PRO 181 Ca 0.09 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.24 1i01 s PRO 181 Cb -0.24 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1i01 s PRO 181 CO -0.02 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.64 1i01 n GLY 182 N -1.28 0.59 3.52 0.56 0.00 -0.58 -4.51 105.19 103.48 1i01 n GLY 182 Ca 0.08 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1i01 n GLY 182 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1i01 s PHE 183 N 4.02 2.58 -0.14 1.61 5.36 -1.26 -2.35 117.98 127.80 1i01 s PHE 183 Ca 0.00 -0.63 -0.05 0.00 -0.96 0.00 0.00 56.93 55.29 1i01 s PHE 183 Cb 0.00 -4.53 -0.04 0.00 -0.34 0.00 0.00 43.02 38.12 1i01 s PHE 183 CO 0.00 -1.85 0.03 0.42 -1.46 0.00 0.00 175.22 172.36 1i01 s ILE 184 N 4.64 4.51 -0.23 3.12 1.09 -1.26 -1.49 121.20 131.58 1i01 s ILE 184 Ca 0.36 -0.15 -0.28 0.00 -1.10 0.00 0.00 60.65 59.47 1i01 s ILE 184 Cb -0.07 -2.97 -0.05 0.00 -1.06 0.00 0.00 42.46 38.32 1i01 s ILE 184 CO 0.02 0.54 2.12 -0.70 -0.10 0.00 0.00 174.94 176.81 1i01 s GLU 185 N -0.23 3.22 0.32 2.79 2.56 0.10 -4.75 118.70 122.72 1i01 s GLU 185 Ca 0.07 1.94 0.02 0.00 0.00 0.00 0.00 54.97 56.99 1i01 s GLU 185 Cb -0.12 -4.33 -0.02 0.00 2.00 0.00 0.00 34.13 31.66 1i01 s GLU 185 CO 0.02 -2.00 0.35 0.95 -0.56 0.00 0.00 175.26 174.01 1i01 s THR 186 N 7.84 0.00 0.19 -1.70 -4.23 -1.26 -4.45 115.64 112.02 1i01 s THR 186 Ca 0.96 -1.82 -0.13 0.00 -1.18 0.00 0.00 61.69 59.52 1i01 s THR 186 Cb -0.31 -2.55 0.11 0.00 1.34 0.00 0.00 72.50 71.09 1i01 s THR 186 CO 0.35 0.00 1.72 0.44 -0.54 0.00 0.00 174.62 176.59 1i01 h ASP 187 N 2.18 0.05 -0.24 3.99 3.32 -1.98 -0.66 116.42 123.09 1i01 h ASP 187 Ca -0.27 0.08 0.05 0.00 0.02 0.00 0.00 57.03 56.90 1i01 h ASP 187 Cb 1.24 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.84 1i01 h ASP 187 CO 0.39 0.05 -0.05 -0.03 -1.72 0.00 0.00 179.24 177.89 1i01 h MET 188 N 0.27 0.01 0.00 3.56 4.05 -1.96 -1.61 114.93 119.25 1i01 h MET 188 Ca 0.25 -0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.62 1i01 h MET 188 Cb 0.32 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1i01 h MET 188 CO -0.31 0.01 -0.25 1.79 0.23 0.00 0.00 176.91 178.38 1i01 h THR 189 N 0.01 0.61 0.00 -0.77 1.35 -1.74 -2.58 112.91 109.79 1i01 h THR 189 Ca 0.12 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1i01 h THR 189 Cb 0.17 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1i01 h THR 189 CO -0.24 0.24 -0.17 0.54 -0.25 0.00 0.00 175.52 175.64 1i01 n ARG 190 N -3.42 0.09 0.00 4.72 1.74 -0.29 -2.90 116.66 116.60 1i01 n ARG 190 Ca 0.00 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.26 1i01 n ARG 190 Cb 0.44 -1.59 0.22 0.00 -1.02 0.00 0.00 32.46 30.51 1i01 n ARG 190 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i01 n ALA 191 N -1.60 3.64 -1.58 7.54 0.00 -0.65 -4.92 120.51 122.94 1i01 n ALA 191 Ca 0.06 -0.40 -0.32 0.00 0.00 0.00 0.00 53.44 52.78 1i01 n ALA 191 Cb 0.37 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 18.79 1i01 n ALA 191 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i01 s LEU 192 N -2.91 3.33 0.66 0.00 1.43 -1.14 -5.04 118.68 115.01 1i01 s LEU 192 Ca 0.13 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 54.90 1i01 s LEU 192 Cb 0.18 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.86 1i01 s LEU 192 CO 0.69 -1.39 1.05 -0.94 0.23 0.00 0.00 176.35 175.99 1i01 s SER 193 N -3.10 5.79 0.22 2.29 1.04 -1.26 -4.86 113.70 113.82 1i01 s SER 193 Ca 0.62 1.50 -0.08 0.00 0.48 0.00 0.00 55.95 58.47 1i01 s SER 193 Cb -0.16 -2.46 0.23 0.00 0.10 0.00 0.00 66.02 63.73 1i01 s SER 193 CO 0.44 -1.16 1.86 0.44 0.98 0.00 0.00 173.24 175.80 1i01 h ASP 194 N -0.52 0.81 -0.65 7.02 3.45 -1.98 -1.57 116.42 122.97 1i01 h ASP 194 Ca -0.44 -0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.02 1i01 h ASP 194 Cb 1.20 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.76 1i01 h ASP 194 CO 0.60 0.55 0.40 0.44 -1.57 0.00 0.00 179.24 179.66 1i01 h ASP 195 N 0.95 0.79 -0.12 6.45 5.19 -1.99 -0.19 116.42 127.50 1i01 h ASP 195 Ca 0.31 -0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 56.66 1i01 h ASP 195 Cb 0.03 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.33 1i01 h ASP 195 CO -0.12 0.61 -0.01 1.56 -3.12 0.00 0.00 179.24 178.16 1i01 h GLN 196 N 0.91 0.22 -0.24 3.56 4.20 -1.69 -1.47 115.11 120.61 1i01 h GLN 196 Ca 0.24 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1i01 h GLN 196 Cb -0.04 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1i01 h GLN 196 CO -0.05 0.48 0.16 0.00 -0.67 0.00 0.00 178.83 178.75 1i01 h ARG 197 N -0.06 0.32 -0.57 1.46 3.08 -1.03 -2.31 114.38 115.28 1i01 h ARG 197 Ca 0.03 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.12 1i01 h ARG 197 Cb 0.39 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 1i01 h ARG 197 CO 0.01 0.22 0.29 0.00 -1.07 0.00 0.00 179.97 179.42 1i01 h ALA 198 N 1.08 0.75 -0.04 0.04 0.00 -1.00 0.41 119.26 120.50 1i01 h ALA 198 Ca 0.09 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1i01 h ALA 198 Cb -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1i01 h ALA 198 CO -0.02 -0.07 -0.10 0.78 0.00 0.00 0.00 179.25 179.85 1i01 h GLY 199 N 0.54 -0.08 0.79 0.00 0.00 -0.95 -1.28 103.07 102.08 1i01 h GLY 199 Ca 0.26 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.70 1i01 h GLY 199 CO -0.19 -0.11 -0.11 -2.22 0.00 0.00 0.00 176.54 173.91 1i01 h ILE 200 N -0.15 0.84 -0.57 2.60 1.08 -0.87 -2.90 117.51 117.54 1i01 h ILE 200 Ca 0.05 -0.42 0.17 0.00 -0.39 0.00 0.00 64.86 64.26 1i01 h ILE 200 Cb 0.22 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.03 1i01 h ILE 200 CO -0.13 0.09 0.55 0.25 -0.69 0.00 0.00 178.15 178.23 1i01 h LEU 201 N -0.52 0.00 -1.77 1.44 5.85 -0.09 0.33 115.31 120.54 1i01 h LEU 201 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1i01 h LEU 201 Cb 0.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1i01 h LEU 201 CO 0.05 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.15 1i01 h ALA 202 N 1.43 1.00 -0.65 1.25 0.00 -1.01 -2.08 119.26 119.21 1i01 h ALA 202 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1i01 h ALA 202 Cb 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1i01 h ALA 202 CO -0.00 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1i01 n GLN 203 N -2.99 3.83 -3.99 0.00 6.02 0.11 -4.80 117.38 115.56 1i01 n GLN 203 Ca -0.00 -2.88 -0.32 0.00 -0.01 0.00 0.00 57.00 53.79 1i01 n GLN 203 Cb 0.24 -1.93 -0.14 0.00 1.02 0.00 0.00 30.24 29.42 1i01 n GLN 203 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1i01 s VAL 204 N -1.92 2.46 0.37 5.09 1.01 -0.78 -4.39 120.40 122.23 1i01 s VAL 204 Ca 0.51 -2.01 0.14 0.00 0.00 0.00 0.00 61.98 60.62 1i01 s VAL 204 Cb 0.34 -2.65 0.36 0.00 0.00 0.00 0.00 36.38 34.42 1i01 s VAL 204 CO 0.24 -0.40 1.78 -0.65 0.00 0.00 0.00 175.10 176.07 1i01 h PRO 205 N 7.75 0.50 0.00 2.72 0.11 -1.81 0.21 132.00 141.48 1i01 h PRO 205 Ca -0.11 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 1i01 h PRO 205 Cb 1.03 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1i01 h PRO 205 CO 0.53 0.33 -0.00 0.00 -0.21 0.00 0.00 178.00 178.65 1i01 h ALA 206 N 1.64 1.06 0.00 -0.75 0.00 -1.70 -3.46 119.26 116.05 1i01 h ALA 206 Ca 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1i01 h ALA 206 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1i01 h ALA 206 CO -0.33 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.33 1i01 n GLY 207 N -1.05 0.51 3.22 0.00 0.00 0.74 -4.97 105.19 103.63 1i01 n GLY 207 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1i01 n GLY 207 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1i01 s ARG 208 N -0.51 1.15 0.30 1.61 1.70 -1.26 -5.06 118.95 116.88 1i01 s ARG 208 Ca 0.00 -1.55 -0.06 0.00 -0.47 0.00 0.00 55.73 53.65 1i01 s ARG 208 Cb 0.00 0.28 -0.06 0.00 -0.57 0.00 0.00 34.95 34.60 1i01 s ARG 208 CO 0.00 -0.38 0.58 -0.51 -1.08 0.00 0.00 175.30 173.92 1i01 s LEU 209 N -3.12 4.04 0.49 -1.89 1.43 -1.26 -4.98 118.68 113.38 1i01 s LEU 209 Ca 0.34 0.80 -0.08 0.00 -1.03 0.00 0.00 54.13 54.15 1i01 s LEU 209 Cb 0.07 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 1i01 s LEU 209 CO 0.09 -0.21 0.84 -0.83 0.23 0.00 0.00 176.35 176.47 1i01 s GLY 210 N -3.05 1.69 0.22 -3.19 0.00 -0.55 -4.81 107.32 97.62 1i01 s GLY 210 Ca 0.45 -0.30 -0.03 0.00 0.00 0.00 0.00 44.72 44.84 1i01 s GLY 210 CO 0.29 -0.10 0.45 -0.32 0.00 0.00 0.00 173.10 173.42 1i01 s GLY 211 N -3.79 1.90 0.42 0.20 0.00 -1.26 -0.72 107.32 104.07 1i01 s GLY 211 Ca 0.51 -0.68 0.11 0.00 0.00 0.00 0.00 44.72 44.65 1i01 s GLY 211 CO 0.42 -0.60 2.01 0.00 0.00 0.00 0.00 173.10 174.93 1i01 h ALA 212 N 2.02 1.87 0.00 3.20 0.00 -1.91 -0.76 119.26 123.68 1i01 h ALA 212 Ca -0.48 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 1i01 h ALA 212 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1i01 h ALA 212 CO 0.68 0.05 -0.18 0.37 0.00 0.00 0.00 179.25 180.17 1i01 h GLN 213 N 0.49 0.00 -0.08 0.00 5.75 -1.93 -2.29 115.11 117.05 1i01 h GLN 213 Ca 0.23 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.62 1i01 h GLN 213 Cb 0.27 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 1i01 h GLN 213 CO -0.06 0.18 -0.43 0.93 -2.65 0.00 0.00 178.83 176.80 1i01 h GLU 214 N 0.00 0.18 -0.09 1.69 5.08 -1.52 0.14 114.58 120.05 1i01 h GLU 214 Ca -0.00 -0.09 -0.23 0.00 -1.00 0.00 0.00 59.36 58.05 1i01 h GLU 214 Cb 0.34 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1i01 h GLU 214 CO 0.02 0.58 -0.85 0.82 -1.00 0.00 0.00 179.01 178.59 1i01 h ILE 215 N 0.15 1.31 -0.43 3.13 5.03 -1.45 -3.06 117.51 122.18 1i01 h ILE 215 Ca 0.01 -2.11 -0.04 0.00 -0.12 0.00 0.00 64.86 62.60 1i01 h ILE 215 Cb 0.83 2.13 -0.02 0.00 -3.03 0.00 0.00 36.82 36.73 1i01 h ILE 215 CO 0.06 0.66 0.10 0.00 -0.68 0.00 0.00 178.15 178.29 1i01 h ALA 216 N 0.61 1.36 -0.65 1.87 0.00 -0.99 -1.27 119.26 120.20 1i01 h ALA 216 Ca -0.07 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 1i01 h ALA 216 Cb 1.47 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1i01 h ALA 216 CO 0.16 0.46 0.10 -0.91 0.00 0.00 0.00 179.25 179.06 1i01 h ASN 217 N 0.63 1.04 -0.42 0.00 2.35 -0.96 0.62 115.58 118.84 1i01 h ASN 217 Ca 0.14 -0.27 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 1i01 h ASN 217 Cb 0.25 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1i01 h ASN 217 CO -0.00 1.04 -0.02 0.00 -1.65 0.00 0.00 177.43 176.80 1i01 h ALA 218 N 1.04 0.57 -0.41 -0.83 0.00 -1.35 -1.53 119.26 116.74 1i01 h ALA 218 Ca 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1i01 h ALA 218 Cb 0.45 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1i01 h ALA 218 CO 0.01 0.37 0.17 0.28 0.00 0.00 0.00 179.25 180.08 1i01 h VAL 219 N 0.59 1.20 -0.96 0.00 2.07 -1.03 -1.84 116.25 116.26 1i01 h VAL 219 Ca 0.12 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.07 1i01 h VAL 219 Cb 0.51 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1i01 h VAL 219 CO 0.02 0.22 0.63 0.00 0.02 0.00 0.00 177.57 178.47 1i01 h ALA 220 N 1.01 1.37 0.08 1.67 0.00 -0.74 -0.84 119.26 121.81 1i01 h ALA 220 Ca 0.14 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1i01 h ALA 220 Cb 0.19 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1i01 h ALA 220 CO -0.01 0.55 -0.04 0.35 0.00 0.00 0.00 179.25 180.10 1i01 h PHE 221 N 1.23 -0.10 0.00 0.00 3.57 -0.95 -2.44 116.94 118.26 1i01 h PHE 221 Ca 0.38 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.84 1i01 h PHE 221 Cb -0.02 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1i01 h PHE 221 CO -0.00 0.09 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.96 1i01 h LEU 222 N -0.27 0.00 -0.05 0.59 3.38 -0.94 -2.47 115.31 115.55 1i01 h LEU 222 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1i01 h LEU 222 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1i01 h LEU 222 CO 0.02 0.14 -0.18 0.00 0.09 0.00 0.00 178.44 178.51 1i01 h ALA 223 N 1.86 0.89 -2.18 1.53 0.00 -1.01 -3.43 119.26 116.91 1i01 h ALA 223 Ca -0.00 -0.16 -0.44 0.00 0.00 0.00 0.00 54.91 54.30 1i01 h ALA 223 Cb 0.31 -0.03 0.16 0.00 0.00 0.00 0.00 17.79 18.23 1i01 h ALA 223 CO 0.02 0.23 0.33 -1.54 0.00 0.00 0.00 179.25 178.28 1i01 s SER 224 N -6.29 2.79 0.00 0.00 1.04 -0.93 -4.93 113.70 105.38 1i01 s SER 224 Ca 0.06 0.55 0.30 0.00 0.48 0.00 0.00 55.95 57.34 1i01 s SER 224 Cb 0.06 -0.80 1.52 0.00 0.10 0.00 0.00 66.02 66.90 1i01 s SER 224 CO 0.69 -2.96 2.04 0.47 0.98 0.00 0.00 173.24 174.46 1i01 n ASP 225 N -3.97 0.00 0.22 7.02 8.00 -1.26 -2.98 116.55 123.59 1i01 n ASP 225 Ca 0.12 -0.22 0.08 0.00 0.71 0.00 0.00 54.79 55.49 1i01 n ASP 225 Cb 0.60 -0.26 0.53 0.00 -0.02 0.00 0.00 41.12 41.97 1i01 n ASP 225 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1i01 h GLU 226 N 0.00 0.00 -0.64 -1.24 4.39 -1.92 -3.10 114.58 112.08 1i01 h GLU 226 Ca 0.00 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.26 1i01 h GLU 226 Cb 0.25 0.00 -0.30 0.00 -0.10 0.00 0.00 28.75 28.60 1i01 h GLU 226 CO 0.00 0.24 -0.38 0.00 -1.16 0.00 0.00 179.01 177.71 1i01 n ALA 227 N -2.33 4.97 0.27 3.43 0.00 -1.16 -4.75 120.51 120.94 1i01 n ALA 227 Ca -0.01 -3.57 0.13 0.00 0.00 0.00 0.00 53.44 49.98 1i01 n ALA 227 Cb 0.35 -0.63 0.74 0.00 0.00 0.00 0.00 19.45 19.91 1i01 n ALA 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i01 h ALA 228 N 1.81 1.32 -0.63 0.00 0.00 -1.70 -2.31 119.26 117.74 1i01 h ALA 228 Ca 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1i01 h ALA 228 Cb 1.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1i01 h ALA 228 CO 0.75 0.13 0.00 0.98 0.00 0.00 0.00 179.25 181.11 1i01 n TYR 229 N -3.67 0.84 -3.74 0.00 9.36 -1.26 -4.85 117.16 113.84 1i01 n TYR 229 Ca -0.02 -0.42 -0.37 0.00 3.32 0.00 0.00 57.90 60.41 1i01 n TYR 229 Cb 0.22 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.81 1i01 n TYR 229 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1i01 s ILE 230 N -1.16 4.27 -0.12 2.97 1.01 -0.87 -5.07 121.20 122.22 1i01 s ILE 230 Ca 0.46 -0.34 -0.23 0.00 0.00 0.00 0.00 60.65 60.54 1i01 s ILE 230 Cb 0.24 -3.08 0.05 0.00 0.01 0.00 0.00 42.46 39.69 1i01 s ILE 230 CO 0.32 0.23 0.56 0.28 0.00 0.00 0.00 174.94 176.33 1i01 s THR 231 N 1.59 0.01 -0.59 2.92 -1.32 -1.26 -4.69 115.64 112.29 1i01 s THR 231 Ca 0.05 -0.10 0.00 0.00 -1.21 0.00 0.00 61.69 60.44 1i01 s THR 231 Cb -0.16 -0.83 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 1i01 s THR 231 CO 0.04 -0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1i01 n GLY 232 N 1.86 0.81 3.85 6.08 0.00 0.84 -4.95 105.19 113.68 1i01 n GLY 232 Ca -0.17 -0.74 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 1i01 n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i01 s GLU 233 N -2.39 3.19 -0.33 1.61 2.56 -1.26 -4.74 118.70 117.34 1i01 s GLU 233 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 54.97 54.41 1i01 s GLU 233 Cb 0.00 -2.91 0.06 0.00 2.00 0.00 0.00 34.13 33.29 1i01 s GLU 233 CO 0.00 0.60 0.07 0.99 -0.56 0.00 0.00 175.26 176.36 1i01 s THR 234 N -1.41 3.19 -0.40 -1.70 2.01 -1.26 -1.24 115.64 114.82 1i01 s THR 234 Ca 0.31 -1.51 -0.20 0.00 0.31 0.00 0.00 61.69 60.60 1i01 s THR 234 Cb -0.13 -2.92 0.01 0.00 0.01 0.00 0.00 72.50 69.48 1i01 s THR 234 CO 0.23 -0.27 0.59 -0.22 -0.69 0.00 0.00 174.62 174.27 1i01 s LEU 235 N 1.25 4.47 -0.04 4.42 2.96 0.92 -4.91 118.68 127.73 1i01 s LEU 235 Ca -0.01 -0.23 -0.23 0.00 -0.22 0.00 0.00 54.13 53.44 1i01 s LEU 235 Cb -0.20 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.77 1i01 s LEU 235 CO -0.01 -0.67 0.69 -1.00 -1.32 0.00 0.00 176.35 174.05 1i01 s HIS 236 N 2.64 3.61 -0.57 5.38 3.76 -1.26 -0.86 115.29 127.99 1i01 s HIS 236 Ca 0.21 1.27 0.04 0.00 -0.15 0.00 0.00 55.06 56.43 1i01 s HIS 236 Cb -0.15 -2.78 0.16 0.00 1.11 0.00 0.00 32.58 30.92 1i01 s HIS 236 CO 0.17 0.15 0.38 0.08 -0.85 0.00 0.00 174.74 174.66 1i01 s VAL 237 N 0.56 2.11 -0.02 -0.90 1.01 -0.60 -4.91 120.40 117.65 1i01 s VAL 237 Ca 0.37 -3.49 0.02 0.00 0.00 0.00 0.00 61.98 58.88 1i01 s VAL 237 Cb -0.18 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.81 1i01 s VAL 237 CO 0.19 -0.99 0.85 -0.46 0.00 0.00 0.00 175.10 174.69 1i01 n ASN 238 N 2.64 0.43 -1.48 3.32 2.04 -1.26 -1.53 115.26 119.42 1i01 n ASN 238 Ca 0.17 -1.80 -0.17 0.00 -0.44 0.00 0.00 54.58 52.33 1i01 n ASN 238 Cb 0.36 -0.15 -0.06 0.00 -2.53 0.00 0.00 39.78 37.41 1i01 n ASN 238 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1i01 n GLY 239 N -0.21 1.21 0.70 4.83 0.00 -1.26 -2.85 105.19 107.62 1i01 n GLY 239 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1i01 n GLY 239 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i01 n GLY 240 N -0.90 0.72 0.00 -0.02 0.00 -1.26 -1.84 105.19 101.89 1i01 n GLY 240 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1i01 n GLY 240 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19