#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i20 n LYS 3 N 0.00 0.00 -0.08 -0.67 2.85 -1.26 -4.89 118.16 114.11 3i20 n LYS 3 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 3i20 n LYS 3 Cb 0.00 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.33 3i20 n LYS 3 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3i20 h LYS 4 N 0.00 0.65 0.53 -1.58 1.63 -2.06 -2.90 116.57 112.84 3i20 h LYS 4 Ca 0.00 -0.37 -0.03 0.00 -0.85 0.00 0.00 60.65 59.41 3i20 h LYS 4 Cb 0.00 0.03 0.01 0.00 -0.60 0.00 0.00 32.23 31.66 3i20 h LYS 4 CO 0.00 0.98 -0.25 0.77 -3.45 0.00 0.00 179.45 177.50 3i20 h SER 5 N 0.36 -0.60 -0.87 4.20 0.02 -2.00 -2.21 113.55 112.46 3i20 h SER 5 Ca 0.03 -0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 3i20 h SER 5 Cb 0.89 0.15 -0.11 0.00 0.14 0.00 0.00 62.40 63.48 3i20 h SER 5 CO 0.07 -0.34 -0.56 0.00 -1.14 0.00 0.00 176.83 174.87 3i20 h ALA 6 N -0.43 -0.57 -0.73 3.77 0.00 -1.92 0.11 119.26 119.49 3i20 h ALA 6 Ca -0.07 0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.10 3i20 h ALA 6 Cb 0.59 1.32 -0.11 0.00 0.00 0.00 0.00 17.79 19.59 3i20 h ALA 6 CO 0.12 -0.95 0.13 -0.09 0.00 0.00 0.00 179.25 178.46 3i20 h ARG 7 N -0.07 0.21 -0.22 0.00 2.43 -1.36 -1.03 114.38 114.34 3i20 h ARG 7 Ca 0.14 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3i20 h ARG 7 Cb 0.43 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 3i20 h ARG 7 CO -0.85 0.14 0.10 0.82 -1.51 0.00 0.00 179.97 178.67 3i20 h ILE 8 N 0.22 1.14 0.00 1.20 2.04 -0.16 -0.25 117.51 121.70 3i20 h ILE 8 Ca 0.41 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3i20 h ILE 8 Cb 0.71 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 3i20 h ILE 8 CO -0.55 0.14 0.00 0.08 0.00 0.00 0.00 178.15 177.82 3i20 h ARG 9 N 0.22 0.00 0.00 2.37 -0.00 -0.66 0.12 114.38 116.43 3i20 h ARG 9 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 59.96 3i20 h ARG 9 Cb 0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.08 3i20 h ARG 9 CO -0.01 0.00 -0.47 -0.09 -0.00 0.00 0.00 179.97 179.41 3i20 h ARG 10 N 0.00 0.00 -0.14 0.08 2.43 0.18 -3.16 114.38 113.77 3i20 h ARG 10 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i20 h ARG 10 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3i20 h ARG 10 CO 0.00 0.47 0.00 0.00 -1.51 0.00 0.00 179.97 178.93 3i20 n ALA 11 N -2.32 2.42 -0.02 2.80 0.00 0.27 -4.65 120.51 119.01 3i20 n ALA 11 Ca -0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 53.44 52.54 3i20 n ALA 11 Cb 0.57 -0.57 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3i20 n ALA 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3i20 h THR 12 N 3.12 1.39 -0.37 0.00 2.02 -1.09 -2.67 112.91 115.31 3i20 h THR 12 Ca 0.00 -1.16 0.04 0.00 0.77 0.00 0.00 66.41 66.06 3i20 h THR 12 Cb 0.71 2.17 -0.04 0.00 -1.74 0.00 0.00 68.15 69.25 3i20 h THR 12 CO 0.00 0.30 0.15 -0.09 0.37 0.00 0.00 175.52 176.25 3i20 h ARG 13 N -0.47 0.31 -0.95 6.66 2.43 -1.83 -2.10 114.38 118.42 3i20 h ARG 13 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3i20 h ARG 13 Cb 0.50 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 3i20 h ARG 13 CO 0.00 0.20 0.60 0.00 -1.51 0.00 0.00 179.97 179.27 3i20 h ALA 14 N 1.22 1.21 -0.45 2.80 0.00 -1.85 -2.19 119.26 120.00 3i20 h ALA 14 Ca 0.16 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3i20 h ALA 14 Cb 0.12 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3i20 h ALA 14 CO -0.15 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.68 3i20 h ARG 15 N 1.30 0.78 0.17 0.00 3.08 -1.08 -2.66 114.38 115.97 3i20 h ARG 15 Ca 0.35 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 3i20 h ARG 15 Cb -0.10 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.87 3i20 h ARG 15 CO -0.07 0.82 -0.08 -0.09 -1.07 0.00 0.00 179.97 179.48 3i20 h ARG 16 N 0.71 -0.22 -0.10 0.04 9.65 -0.79 -0.55 114.38 123.12 3i20 h ARG 16 Ca 0.13 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.05 3i20 h ARG 16 Cb 0.53 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.15 3i20 h ARG 16 CO 0.03 -0.15 0.67 -0.22 2.80 0.00 0.00 179.97 183.10 3i20 h LYS 17 N -0.29 0.00 0.13 0.20 3.11 -1.51 5.10 116.57 123.31 3i20 h LYS 17 Ca -0.02 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.54 3i20 h LYS 17 Cb 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 3i20 h LYS 17 CO 0.04 0.00 -1.29 1.25 -2.81 0.00 0.00 179.45 176.64 3i20 h LEU 18 N 0.00 0.42 0.16 5.20 5.85 -1.24 -1.68 115.31 124.03 3i20 h LEU 18 Ca 0.05 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3i20 h LEU 18 Cb 1.38 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3i20 h LEU 18 CO -0.00 1.37 -0.08 -0.61 -0.34 0.00 0.00 178.44 178.78 3i20 h GLN 19 N 0.07 -0.21 -0.92 1.25 4.15 1.16 -1.91 115.11 118.70 3i20 h GLN 19 Ca -0.15 0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.43 3i20 h GLN 19 Cb 1.98 0.05 -0.08 0.00 0.21 0.00 0.00 27.48 29.64 3i20 h GLN 19 CO 0.20 0.17 0.59 1.49 -1.93 0.00 0.00 178.83 179.34 3i20 h GLU 20 N -0.65 0.71 0.00 1.69 4.81 -0.47 0.23 114.58 120.91 3i20 h GLU 20 Ca -0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3i20 h GLU 20 Cb 0.48 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3i20 h GLU 20 CO 0.04 0.47 0.00 1.28 -0.73 0.00 0.00 179.01 180.07 3i20 n LEU 21 N -4.58 0.35 -2.96 1.64 4.77 -0.63 -4.97 117.00 110.61 3i20 n LEU 21 Ca 0.18 0.57 -0.01 0.00 -0.03 0.00 0.00 56.01 56.72 3i20 n LEU 21 Cb 0.47 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3i20 n LEU 21 CO 0.28 -0.33 -0.38 0.61 -1.33 0.00 0.00 177.39 176.25 3i20 n GLY 22 N 0.33 -1.78 3.54 -0.72 0.00 0.81 -5.03 105.19 102.35 3i20 n GLY 22 Ca 0.04 0.43 -0.12 0.00 0.00 0.00 0.00 46.02 46.36 3i20 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i20 s ALA 23 N -0.74 -1.60 -0.01 4.61 0.00 -1.24 -5.05 121.76 117.73 3i20 s ALA 23 Ca -0.05 1.91 -0.30 0.00 0.00 0.00 0.00 51.96 53.52 3i20 s ALA 23 Cb 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 23.12 21.94 3i20 s ALA 23 CO 0.29 -0.31 1.82 0.95 0.00 0.00 0.00 175.76 178.51 3i20 s THR 24 N 0.69 3.29 -0.01 0.00 -4.23 -1.26 -4.36 115.64 109.76 3i20 s THR 24 Ca -0.03 0.35 0.05 0.00 -1.18 0.00 0.00 61.69 60.89 3i20 s THR 24 Cb -0.05 -3.23 -0.03 0.00 1.34 0.00 0.00 72.50 70.53 3i20 s THR 24 CO -0.05 -0.03 -0.16 0.00 -0.54 0.00 0.00 174.62 173.84 3i20 s ARG 25 N 4.29 2.32 -0.33 3.99 1.70 -1.00 -2.82 118.95 127.10 3i20 s ARG 25 Ca 0.81 -0.82 -0.24 0.00 -0.47 0.00 0.00 55.73 55.01 3i20 s ARG 25 Cb -0.38 -2.29 0.00 0.00 -0.57 0.00 0.00 34.95 31.71 3i20 s ARG 25 CO 0.36 0.59 0.81 -1.17 -1.08 0.00 0.00 175.30 174.80 3i20 s LEU 26 N -1.06 4.09 -0.28 -1.89 2.96 0.44 -1.13 118.68 121.81 3i20 s LEU 26 Ca 0.13 0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 54.56 3i20 s LEU 26 Cb -0.11 -3.09 0.01 0.00 0.50 0.00 0.00 46.19 43.50 3i20 s LEU 26 CO 0.03 -0.68 0.05 -0.69 -1.32 0.00 0.00 176.35 173.74 3i20 s VAL 27 N 3.06 3.76 -0.26 1.68 1.01 0.00 -0.64 120.40 129.02 3i20 s VAL 27 Ca 0.33 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 3i20 s VAL 27 Cb -0.14 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3i20 s VAL 27 CO 0.14 0.13 0.13 0.54 0.00 0.00 0.00 175.10 176.04 3i20 s VAL 28 N 1.47 4.88 -0.18 2.92 0.11 -1.20 -0.32 120.40 128.07 3i20 s VAL 28 Ca 0.02 0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 59.03 3i20 s VAL 28 Cb -0.17 -3.30 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 3i20 s VAL 28 CO 0.01 0.30 0.04 -2.28 -3.33 0.00 0.00 175.10 169.85 3i20 s HIS 29 N 1.59 3.19 0.32 1.54 5.65 -0.58 -4.41 115.29 122.59 3i20 s HIS 29 Ca 0.07 -0.04 0.07 0.00 0.25 0.00 0.00 55.06 55.40 3i20 s HIS 29 Cb -0.15 -2.07 -0.02 0.00 -1.18 0.00 0.00 32.58 29.16 3i20 s HIS 29 CO 0.07 0.07 0.38 0.50 -0.65 0.00 0.00 174.74 175.11 3i20 s ARG 30 N 0.48 3.00 0.05 2.88 3.52 -1.26 -0.94 118.95 126.68 3i20 s ARG 30 Ca 0.02 -1.09 -0.25 0.00 -0.13 0.00 0.00 55.73 54.28 3i20 s ARG 30 Cb -0.13 -2.69 0.06 0.00 -1.56 0.00 0.00 34.95 30.63 3i20 s ARG 30 CO 0.01 0.14 0.60 -0.08 -0.81 0.00 0.00 175.30 175.15 3i20 s THR 31 N -2.20 0.01 0.24 4.11 -1.32 0.70 -4.94 115.64 112.24 3i20 s THR 31 Ca 0.42 -0.09 -0.08 0.00 -1.21 0.00 0.00 61.69 60.73 3i20 s THR 31 Cb -0.08 -0.99 0.25 0.00 -1.51 0.00 0.00 72.50 70.17 3i20 s THR 31 CO 0.29 -0.05 1.65 -0.65 -2.21 0.00 0.00 174.62 173.65 3i20 h PRO 32 N 2.61 0.12 0.07 7.08 0.11 -1.97 -3.08 132.00 136.94 3i20 h PRO 32 Ca -0.31 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.46 3i20 h PRO 32 Cb 1.22 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3i20 h PRO 32 CO 0.40 0.08 -1.88 -2.13 -0.21 0.00 0.00 178.00 174.26 3i20 n ARG 33 N -5.31 0.70 -4.24 1.05 0.63 -1.26 -4.74 116.66 103.49 3i20 n ARG 33 Ca 0.13 0.28 -0.15 0.00 -0.92 0.00 0.00 57.85 57.18 3i20 n ARG 33 Cb 0.44 -1.74 -0.10 0.00 0.45 0.00 0.00 32.46 31.51 3i20 n ARG 33 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 3i20 s HIS 34 N -2.58 1.28 0.00 -0.14 3.76 -1.16 -2.88 115.29 113.57 3i20 s HIS 34 Ca -0.15 -0.71 0.03 0.00 -0.15 0.00 0.00 55.06 54.08 3i20 s HIS 34 Cb 0.07 -0.65 -0.01 0.00 1.11 0.00 0.00 32.58 33.10 3i20 s HIS 34 CO 0.79 0.09 -0.08 -1.50 -0.85 0.00 0.00 174.74 173.19 3i20 s ILE 35 N -3.04 0.66 0.13 0.60 2.07 -1.26 -0.22 121.20 120.15 3i20 s ILE 35 Ca 0.14 -0.47 0.04 0.00 -1.41 0.00 0.00 60.65 58.95 3i20 s ILE 35 Cb 0.01 -0.58 -0.04 0.00 0.13 0.00 0.00 42.46 41.98 3i20 s ILE 35 CO 0.01 0.10 -0.11 -0.31 -1.91 0.00 0.00 174.94 172.73 3i20 s TYR 36 N -0.37 1.24 -0.18 3.50 4.12 -0.11 -1.39 117.35 124.15 3i20 s TYR 36 Ca 0.02 -0.72 -0.09 0.00 0.02 0.00 0.00 57.07 56.30 3i20 s TYR 36 Cb -0.04 -0.64 0.07 0.00 -1.52 0.00 0.00 41.96 39.83 3i20 s TYR 36 CO -0.00 0.07 0.42 0.00 0.02 0.00 0.00 175.55 176.07 3i20 s ALA 37 N -3.03 -1.12 -0.05 3.71 0.00 -0.60 -1.53 121.76 119.14 3i20 s ALA 37 Ca 0.14 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.66 3i20 s ALA 37 Cb 0.01 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 22.07 3i20 s ALA 37 CO 0.01 -0.44 -0.02 1.14 0.00 0.00 0.00 175.76 176.45 3i20 s GLN 38 N 1.82 0.65 -0.27 0.00 -2.07 0.56 -1.48 119.66 118.86 3i20 s GLN 38 Ca -0.07 -0.00 -0.26 0.00 -1.82 0.00 0.00 55.36 53.21 3i20 s GLN 38 Cb -0.09 -0.80 0.00 0.00 -1.09 0.00 0.00 33.01 31.03 3i20 s GLN 38 CO -0.13 -0.16 0.90 0.08 -1.32 0.00 0.00 175.29 174.67 3i20 s VAL 39 N 1.24 4.73 0.02 3.63 1.01 -0.37 -0.82 120.40 129.85 3i20 s VAL 39 Ca -0.06 1.57 0.01 0.00 0.00 0.00 0.00 61.98 63.50 3i20 s VAL 39 Cb -0.14 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3i20 s VAL 39 CO -0.02 -0.22 0.05 -0.63 0.00 0.00 0.00 175.10 174.28 3i20 s ILE 40 N 3.10 4.45 0.80 2.22 1.01 -0.28 -1.44 121.20 131.06 3i20 s ILE 40 Ca 0.38 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 3i20 s ILE 40 Cb -0.14 -3.05 0.08 0.00 0.01 0.00 0.00 42.46 39.36 3i20 s ILE 40 CO 0.10 0.29 1.17 0.00 0.00 0.00 0.00 174.94 176.50 3i20 s ALA 41 N -1.21 1.90 0.30 9.38 0.00 0.10 -2.36 121.76 129.86 3i20 s ALA 41 Ca 0.24 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.91 3i20 s ALA 41 Cb -0.12 -3.44 0.58 0.00 0.00 0.00 0.00 23.12 20.15 3i20 s ALA 41 CO 0.15 -2.19 1.87 -1.35 0.00 0.00 0.00 175.76 174.24 3i20 h PRO 42 N -0.99 0.94 -0.01 0.00 0.11 -1.88 -1.97 132.00 128.20 3i20 h PRO 42 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3i20 h PRO 42 Cb 1.28 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3i20 h PRO 42 CO 0.47 0.62 0.04 -2.95 -0.21 0.00 0.00 178.00 175.97 3i20 h ASN 43 N 0.97 0.00 0.00 -2.05 7.08 -1.92 -3.46 115.58 116.20 3i20 h ASN 43 Ca 0.45 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.67 3i20 h ASN 43 Cb 0.41 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.65 3i20 h ASN 43 CO -0.21 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.75 3i20 n GLY 44 N -1.13 1.16 0.52 9.14 0.00 -0.74 -4.89 105.19 109.24 3i20 n GLY 44 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.05 3i20 n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i20 n SER 45 N 0.00 2.17 -3.70 1.61 7.64 -1.26 -4.98 113.62 115.09 3i20 n SER 45 Ca 0.00 -1.58 -0.11 0.00 1.01 0.00 0.00 58.87 58.19 3i20 n SER 45 Cb 0.00 -0.04 -0.11 0.00 -1.01 0.00 0.00 64.21 63.05 3i20 n SER 45 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 3i20 s GLU 46 N -1.01 0.38 -0.09 1.43 -1.05 -1.26 -5.07 118.70 112.03 3i20 s GLU 46 Ca 0.16 0.72 -0.12 0.00 -0.15 0.00 0.00 54.97 55.58 3i20 s GLU 46 Cb 0.11 -0.01 -0.05 0.00 -0.44 0.00 0.00 34.13 33.74 3i20 s GLU 46 CO 0.15 -0.15 0.30 0.14 0.95 0.00 0.00 175.26 176.66 3i20 s VAL 47 N 1.23 5.25 -0.15 1.83 -7.23 -1.26 0.02 120.40 120.09 3i20 s VAL 47 Ca -0.08 0.58 -0.17 0.00 -1.81 0.00 0.00 61.98 60.50 3i20 s VAL 47 Cb -0.08 -3.61 -0.14 0.00 0.56 0.00 0.00 36.38 33.12 3i20 s VAL 47 CO -0.11 0.52 0.24 -0.07 -0.31 0.00 0.00 175.10 175.38 3i20 h LEU 48 N 5.50 0.00 -8.67 1.32 3.38 -1.58 -3.47 115.31 111.79 3i20 h LEU 48 Ca -0.49 -0.44 -0.50 0.00 0.09 0.00 0.00 57.88 56.55 3i20 h LEU 48 Cb 1.20 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.75 3i20 h LEU 48 CO 0.66 1.01 -0.79 -0.69 0.09 0.00 0.00 178.44 178.71 3i20 s VAL 49 N -2.14 1.59 -0.26 1.22 1.01 -1.19 -5.04 120.40 115.59 3i20 s VAL 49 Ca -0.17 -1.66 -0.21 0.00 0.00 0.00 0.00 61.98 59.94 3i20 s VAL 49 Cb 0.01 -1.57 0.07 0.00 0.00 0.00 0.00 36.38 34.89 3i20 s VAL 49 CO 0.42 -0.23 0.68 0.00 0.00 0.00 0.00 175.10 175.97 3i20 s ALA 50 N -1.65 -1.73 -0.08 5.51 0.00 -1.26 -1.24 121.76 121.30 3i20 s ALA 50 Ca 0.09 2.08 -0.07 0.00 0.00 0.00 0.00 51.96 54.06 3i20 s ALA 50 Cb -0.08 -1.22 0.02 0.00 0.00 0.00 0.00 23.12 21.85 3i20 s ALA 50 CO 0.04 -0.34 0.21 0.00 0.00 0.00 0.00 175.76 175.67 3i20 s ALA 51 N 0.82 -0.51 0.28 0.00 0.00 -0.55 -4.92 121.76 116.89 3i20 s ALA 51 Ca -0.04 0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.62 3i20 s ALA 51 Cb -0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3i20 s ALA 51 CO -0.06 -0.12 0.19 -1.13 0.00 0.00 0.00 175.76 174.64 3i20 n SER 52 N 3.21 -0.03 -2.01 0.00 3.41 -1.26 -1.56 113.62 115.38 3i20 n SER 52 Ca -0.15 -2.72 -0.06 0.00 -0.26 0.00 0.00 58.87 55.68 3i20 n SER 52 Cb 0.57 1.16 0.31 0.00 -0.26 0.00 0.00 64.21 66.00 3i20 n SER 52 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i20 n THR 53 N -0.57 2.95 0.40 6.66 -2.24 -0.49 -3.96 114.28 117.03 3i20 n THR 53 Ca 0.03 -1.64 0.06 0.00 -2.27 0.00 0.00 64.05 60.22 3i20 n THR 53 Cb 0.48 -0.36 0.06 0.00 -2.10 0.00 0.00 70.33 68.41 3i20 n THR 53 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3i20 n VAL 54 N -0.14 0.13 -3.45 2.28 3.14 -1.26 -4.84 118.33 114.19 3i20 n VAL 54 Ca 0.41 -0.56 -0.37 0.00 -2.96 0.00 0.00 64.34 60.86 3i20 n VAL 54 Cb 1.39 1.15 -0.06 0.00 -1.06 0.00 0.00 33.84 35.27 3i20 n VAL 54 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3i20 s GLU 55 N -0.98 3.93 0.00 1.45 2.02 -1.25 -5.03 118.70 118.84 3i20 s GLU 55 Ca 0.15 0.42 0.00 0.00 0.02 0.00 0.00 54.97 55.56 3i20 s GLU 55 Cb 0.10 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.24 3i20 s GLU 55 CO 0.15 0.60 0.86 1.63 0.02 0.00 0.00 175.26 178.52 3i20 n LYS 56 N 1.31 0.00 -0.05 1.61 5.02 -1.26 -3.13 118.16 121.66 3i20 n LYS 56 Ca -0.10 0.73 -0.03 0.00 -2.02 0.00 0.00 58.31 56.89 3i20 n LYS 56 Cb 0.52 -1.36 -0.02 0.00 -0.02 0.00 0.00 35.03 34.14 3i20 n LYS 56 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i20 h ALA 57 N -1.47 -0.32 0.00 7.82 0.00 -1.97 0.41 119.26 123.73 3i20 h ALA 57 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i20 h ALA 57 Cb 0.00 0.89 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3i20 h ALA 57 CO 0.00 -0.39 0.00 -0.89 0.00 0.00 0.00 179.25 177.97 3i20 n ILE 58 N -3.37 0.00 0.00 0.00 5.41 -1.24 -1.46 119.36 118.70 3i20 n ILE 58 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3i20 n ILE 58 Cb 0.07 -0.57 0.00 0.00 -0.71 0.00 0.00 39.64 38.43 3i20 n ILE 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i20 n ALA 59 N -0.52 1.05 0.32 -1.39 0.00 0.03 -4.79 120.51 115.21 3i20 n ALA 59 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 3i20 n ALA 59 Cb 0.00 0.05 1.16 0.00 0.00 0.00 0.00 19.45 20.65 3i20 n ALA 59 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3i20 h GLU 60 N 0.00 0.00 -2.14 0.00 4.81 0.86 -3.02 114.58 115.09 3i20 h GLU 60 Ca 0.00 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.65 3i20 h GLU 60 Cb 0.19 0.00 -0.41 0.00 0.63 0.00 0.00 28.75 29.16 3i20 h GLU 60 CO 0.00 0.00 -0.79 0.00 -0.73 0.00 0.00 179.01 177.49 3i20 n GLN 61 N -2.99 2.04 -3.84 1.92 10.64 -1.26 -5.04 117.38 118.85 3i20 n GLN 61 Ca -0.03 -4.21 -0.12 0.00 -1.83 0.00 0.00 57.00 50.81 3i20 n GLN 61 Cb 0.07 -1.93 -0.10 0.00 -0.86 0.00 0.00 30.24 27.42 3i20 n GLN 61 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3i20 s LEU 62 N -2.33 1.37 0.11 2.61 1.43 -1.14 -5.06 118.68 115.68 3i20 s LEU 62 Ca 0.40 -0.03 -0.20 0.00 -1.03 0.00 0.00 54.13 53.26 3i20 s LEU 62 Cb 0.20 0.78 -0.09 0.00 0.03 0.00 0.00 46.19 47.11 3i20 s LEU 62 CO -0.07 -0.32 1.77 0.50 0.23 0.00 0.00 176.35 178.46 3i20 h LYS 63 N 4.51 0.19 -2.45 1.70 3.64 -1.96 -3.45 116.57 118.75 3i20 h LYS 63 Ca -0.30 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.99 3i20 h LYS 63 Cb 1.19 -0.04 -0.20 0.00 -0.41 0.00 0.00 32.23 32.76 3i20 h LYS 63 CO 0.40 0.13 -0.03 -0.47 -2.27 0.00 0.00 179.45 177.20 3i20 s TYR 64 N -6.18 -0.49 0.20 1.91 5.04 -1.26 -5.16 117.35 111.41 3i20 s TYR 64 Ca -0.13 0.95 -0.18 0.00 -2.44 0.00 0.00 57.07 55.27 3i20 s TYR 64 Cb 0.08 0.25 -0.08 0.00 0.35 0.00 0.00 41.96 42.56 3i20 s TYR 64 CO 0.68 -0.45 0.67 0.95 -1.34 0.00 0.00 175.55 176.07 3i20 s THR 65 N -0.82 4.65 -0.49 4.34 -4.23 -1.26 -4.44 115.64 113.39 3i20 s THR 65 Ca -0.09 1.15 -0.04 0.00 -1.18 0.00 0.00 61.69 61.52 3i20 s THR 65 Cb -0.03 -3.82 0.01 0.00 1.34 0.00 0.00 72.50 70.00 3i20 s THR 65 CO 0.06 0.21 0.52 0.61 -0.54 0.00 0.00 174.62 175.48 3i20 n GLY 66 N 0.73 -1.09 3.15 3.99 0.00 -1.14 -4.45 105.19 106.38 3i20 n GLY 66 Ca -0.03 0.56 0.05 0.00 0.00 0.00 0.00 46.02 46.60 3i20 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i20 s ASN 67 N -2.60 -0.48 0.00 1.61 4.22 -1.26 -4.84 114.94 111.59 3i20 s ASN 67 Ca 0.07 0.23 0.00 0.00 -2.14 0.00 0.00 52.86 51.02 3i20 s ASN 67 Cb -0.02 1.38 0.00 0.00 1.28 0.00 0.00 41.25 43.89 3i20 s ASN 67 CO 0.59 -0.09 0.00 0.29 -2.04 0.00 0.00 177.10 175.85 3i20 n LYS 68 N 5.38 0.00 -0.21 3.55 5.02 -1.26 0.15 118.16 130.79 3i20 n LYS 68 Ca -0.02 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.22 3i20 n LYS 68 Cb 0.55 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.58 3i20 n LYS 68 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3i20 h ASP 69 N 0.00 -1.04 -0.33 4.39 3.32 -1.96 -0.35 116.42 120.45 3i20 h ASP 69 Ca 0.00 0.22 0.04 0.00 0.02 0.00 0.00 57.03 57.31 3i20 h ASP 69 Cb 0.00 0.54 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 3i20 h ASP 69 CO 0.00 -0.29 0.08 0.00 -1.72 0.00 0.00 179.24 177.31 3i20 h ALA 70 N 1.14 0.36 0.16 3.45 0.00 0.11 -2.66 119.26 121.82 3i20 h ALA 70 Ca 0.25 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.23 3i20 h ALA 70 Cb 0.54 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3i20 h ALA 70 CO -0.68 -0.32 -0.47 0.00 0.00 0.00 0.00 179.25 177.78 3i20 h ALA 71 N 1.23 -0.87 0.00 0.00 0.00 -1.39 0.58 119.26 118.82 3i20 h ALA 71 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i20 h ALA 71 Cb 0.15 0.77 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3i20 h ALA 71 CO -0.19 -1.06 0.07 0.00 0.00 0.00 0.00 179.25 178.08 3i20 n ALA 72 N -2.86 0.89 -0.06 0.00 0.00 -0.24 0.65 120.51 118.89 3i20 n ALA 72 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 3i20 n ALA 72 Cb 0.40 -0.84 -0.12 0.00 0.00 0.00 0.00 19.45 18.89 3i20 n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i20 h ALA 73 N 1.68 0.28 -0.68 0.00 0.00 -0.59 -3.02 119.26 116.93 3i20 h ALA 73 Ca 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 54.91 53.67 3i20 h ALA 73 Cb 0.14 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 3i20 h ALA 73 CO 0.00 0.83 0.29 0.28 0.00 0.00 0.00 179.25 180.65 3i20 h VAL 74 N -0.66 1.23 0.18 0.00 2.07 0.12 -1.45 116.25 117.74 3i20 h VAL 74 Ca -0.35 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.49 3i20 h VAL 74 Cb 1.52 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 3i20 h VAL 74 CO -0.10 0.28 -0.25 1.23 0.02 0.00 0.00 177.57 178.76 3i20 h GLY 75 N 1.06 -0.51 0.52 2.17 0.00 -0.12 -1.89 103.07 104.30 3i20 h GLY 75 Ca 0.23 0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.91 3i20 h GLY 75 CO -0.02 -0.22 -0.00 1.70 0.00 0.00 0.00 176.54 177.99 3i20 h LYS 76 N -0.49 0.08 0.00 4.80 3.64 -1.38 -2.61 116.57 120.61 3i20 h LYS 76 Ca 0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i20 h LYS 76 Cb 0.49 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3i20 h LYS 76 CO -0.10 0.05 0.00 0.00 -2.27 0.00 0.00 179.45 177.13 3i20 n ALA 77 N -2.45 -0.13 -0.30 5.00 0.00 -0.56 -1.13 120.51 120.93 3i20 n ALA 77 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3i20 n ALA 77 Cb 0.16 0.17 0.19 0.00 0.00 0.00 0.00 19.45 19.97 3i20 n ALA 77 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 3i20 h VAL 78 N 0.00 0.17 -0.58 0.00 -1.51 -1.47 0.31 116.25 113.17 3i20 h VAL 78 Ca 0.00 -0.02 0.10 0.00 -1.23 0.00 0.00 66.70 65.55 3i20 h VAL 78 Cb 0.00 0.12 -0.11 0.00 -2.13 0.00 0.00 31.29 29.17 3i20 h VAL 78 CO 0.00 0.01 -0.36 0.00 -1.23 0.00 0.00 177.57 175.99 3i20 h ALA 79 N 1.85 -0.13 0.46 5.19 0.00 -1.05 0.51 119.26 126.10 3i20 h ALA 79 Ca 0.48 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.51 3i20 h ALA 79 Cb 0.88 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3i20 h ALA 79 CO -0.82 -0.72 -0.22 1.05 0.00 0.00 0.00 179.25 178.53 3i20 h GLU 80 N -0.19 -0.60 -1.00 0.00 4.11 0.11 0.22 114.58 117.23 3i20 h GLU 80 Ca 0.22 0.04 0.22 0.00 0.07 0.00 0.00 59.36 59.91 3i20 h GLU 80 Cb 0.56 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.84 3i20 h GLU 80 CO -0.68 -0.31 0.62 0.00 0.07 0.00 0.00 179.01 178.71 3i20 h ARG 81 N -1.06 0.59 0.16 1.06 3.08 -0.62 0.91 114.38 118.50 3i20 h ARG 81 Ca -0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.94 3i20 h ARG 81 Cb 0.56 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.48 3i20 h ARG 81 CO 0.10 0.39 -0.08 0.00 -1.07 0.00 0.00 179.97 179.32 3i20 h ALA 82 N 1.66 -0.21 -1.00 0.04 0.00 0.05 -2.92 119.26 116.88 3i20 h ALA 82 Ca 0.59 -0.15 0.22 0.00 0.00 0.00 0.00 54.91 55.58 3i20 h ALA 82 Cb 1.14 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 3i20 h ALA 82 CO -0.38 -0.48 0.59 1.25 0.00 0.00 0.00 179.25 180.23 3i20 h LEU 83 N -0.48 0.70 -0.11 0.00 7.12 0.39 -0.20 115.31 122.73 3i20 h LEU 83 Ca -0.02 0.12 0.03 0.00 0.13 0.00 0.00 57.88 58.14 3i20 h LEU 83 Cb 0.38 0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 40.45 3i20 h LEU 83 CO 0.04 0.16 -0.54 -0.08 -0.13 0.00 0.00 178.44 177.89 3i20 h GLU 84 N 0.64 -0.57 -0.82 1.25 4.57 0.39 -0.02 114.58 120.03 3i20 h GLU 84 Ca 0.62 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.84 3i20 h GLU 84 Cb 1.10 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3i20 h GLU 84 CO -0.44 -0.38 0.00 1.63 -1.18 0.00 0.00 179.01 178.64 3i20 n LYS 85 N -5.39 0.81 -0.36 1.92 5.02 -0.12 -4.80 118.16 115.24 3i20 n LYS 85 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3i20 n LYS 85 Cb 0.38 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3i20 n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i20 n GLY 86 N 0.11 1.79 3.65 0.72 0.00 -0.02 -4.95 105.19 106.49 3i20 n GLY 86 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3i20 n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i20 s ILE 87 N -2.94 3.67 0.06 -0.61 -1.09 -1.05 -4.95 121.20 114.28 3i20 s ILE 87 Ca 0.00 0.78 -0.02 0.00 -2.23 0.00 0.00 60.65 59.18 3i20 s ILE 87 Cb 0.00 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.26 3i20 s ILE 87 CO 0.00 -0.16 0.01 -0.75 -1.23 0.00 0.00 174.94 172.81 3i20 s LYS 88 N 4.30 0.65 -0.10 2.79 2.20 -1.26 -3.61 119.74 124.71 3i20 s LYS 88 Ca 0.72 -1.17 -0.07 0.00 -0.36 0.00 0.00 55.97 55.08 3i20 s LYS 88 Cb -0.29 0.23 0.03 0.00 -1.51 0.00 0.00 37.83 36.29 3i20 s LYS 88 CO 0.28 -0.14 0.14 -0.25 -0.36 0.00 0.00 175.35 175.03 3i20 n ASP 89 N 0.08 -1.21 -1.54 1.43 8.00 -1.26 -4.93 116.55 117.12 3i20 n ASP 89 Ca -0.14 0.79 -0.05 0.00 0.71 0.00 0.00 54.79 56.11 3i20 n ASP 89 Cb 0.61 -3.47 -0.02 0.00 -0.02 0.00 0.00 41.12 38.23 3i20 n ASP 89 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3i20 n VAL 90 N 0.99 0.00 -4.21 2.53 0.24 -0.90 -4.76 118.33 112.22 3i20 n VAL 90 Ca -0.24 -0.55 -0.16 0.00 -2.04 0.00 0.00 64.34 61.34 3i20 n VAL 90 Cb 0.37 0.27 -0.11 0.00 -1.47 0.00 0.00 33.84 32.90 3i20 n VAL 90 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3i20 s SER 91 N -1.53 1.74 -0.21 -1.34 0.01 -1.13 -4.54 113.70 106.71 3i20 s SER 91 Ca 0.09 -0.81 -0.08 0.00 1.31 0.00 0.00 55.95 56.47 3i20 s SER 91 Cb 0.00 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 3i20 s SER 91 CO 0.06 -0.20 0.07 0.12 0.41 0.00 0.00 173.24 173.71 3i20 s PHE 92 N -2.26 3.20 -0.73 2.43 5.36 -1.26 -0.42 117.98 124.30 3i20 s PHE 92 Ca 0.07 -0.05 -0.05 0.00 -0.96 0.00 0.00 56.93 55.94 3i20 s PHE 92 Cb -0.04 -2.14 0.19 0.00 -0.34 0.00 0.00 43.02 40.69 3i20 s PHE 92 CO 0.02 -0.00 0.59 0.34 -1.46 0.00 0.00 175.22 174.70 3i20 s ASP 93 N 0.78 5.74 0.00 6.13 3.68 0.19 -4.91 116.67 128.29 3i20 s ASP 93 Ca 0.04 -3.00 0.00 0.00 2.13 0.00 0.00 52.55 51.72 3i20 s ASP 93 Cb -0.13 -1.95 0.00 0.00 -1.45 0.00 0.00 42.92 39.39 3i20 s ASP 93 CO 0.02 -0.38 0.11 -2.11 0.13 0.00 0.00 175.17 172.94 3i20 n ARG 94 N 3.35 0.14 -2.94 4.34 -4.01 -1.26 -3.25 116.66 113.03 3i20 n ARG 94 Ca 0.12 0.00 -0.10 0.00 -1.04 0.00 0.00 57.85 56.83 3i20 n ARG 94 Cb 0.40 -1.03 -0.03 0.00 -3.04 0.00 0.00 32.46 28.76 3i20 n ARG 94 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 3i20 n SER 95 N -0.09 0.14 0.00 2.89 7.64 -1.26 0.68 113.62 123.62 3i20 n SER 95 Ca 0.00 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.49 3i20 n SER 95 Cb 0.02 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 62.73 3i20 n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i20 n GLY 96 N -1.34 3.05 3.78 0.23 0.00 -1.26 -4.84 105.19 104.82 3i20 n GLY 96 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3i20 n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i20 s PHE 97 N -2.47 3.80 0.00 1.61 0.08 0.21 -4.83 117.98 116.39 3i20 s PHE 97 Ca 0.00 1.65 -0.30 0.00 0.12 0.00 0.00 56.93 58.40 3i20 s PHE 97 Cb 0.00 -2.80 -0.06 0.00 -0.57 0.00 0.00 43.02 39.59 3i20 s PHE 97 CO 0.00 0.39 1.52 -1.14 -0.10 0.00 0.00 175.22 175.89 3i20 s GLN 98 N -1.59 4.23 -0.55 0.44 0.74 -1.26 -4.77 119.66 116.90 3i20 s GLN 98 Ca 0.42 2.11 -0.27 0.00 0.05 0.00 0.00 55.36 57.67 3i20 s GLN 98 Cb -0.21 -3.67 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 3i20 s GLN 98 CO 0.25 -0.68 2.02 -0.47 -0.55 0.00 0.00 175.29 175.85 3i20 s TYR 99 N 2.82 1.50 0.01 1.67 6.14 -1.26 -4.01 117.35 124.23 3i20 s TYR 99 Ca 0.68 0.99 0.00 0.00 0.64 0.00 0.00 57.07 59.39 3i20 s TYR 99 Cb -0.34 -3.95 0.00 0.00 0.42 0.00 0.00 41.96 38.09 3i20 s TYR 99 CO 0.28 -2.45 0.00 1.58 0.64 0.00 0.00 175.55 175.61 3i20 n HIS 100 N 13.44 -0.88 0.00 4.97 -0.00 -1.26 -4.86 115.22 126.63 3i20 n HIS 100 Ca 0.25 0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.48 3i20 n HIS 100 Cb 0.52 0.26 0.00 0.00 -0.12 0.00 0.00 29.99 30.65 3i20 n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3i20 n GLY 101 N -1.13 1.33 0.10 1.57 0.00 -1.26 -3.95 105.19 101.87 3i20 n GLY 101 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3i20 n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3i20 h ARG 102 N 0.00 0.00 -0.84 1.61 3.08 -1.92 -3.09 114.38 113.22 3i20 h ARG 102 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3i20 h ARG 102 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 3i20 h ARG 102 CO 0.00 0.77 0.55 -0.39 -1.07 0.00 0.00 179.97 179.82 3i20 h VAL 103 N 0.00 1.22 0.41 2.04 -1.51 -1.88 -2.40 116.25 114.13 3i20 h VAL 103 Ca -0.01 -0.42 -0.01 0.00 -1.23 0.00 0.00 66.70 65.03 3i20 h VAL 103 Cb 1.47 -0.00 -0.01 0.00 -2.13 0.00 0.00 31.29 30.61 3i20 h VAL 103 CO 0.10 0.22 -0.31 -0.61 -1.23 0.00 0.00 177.57 175.73 3i20 h GLN 104 N 1.14 -0.69 -6.64 5.19 4.15 -1.66 -2.86 115.11 113.74 3i20 h GLN 104 Ca 0.31 0.05 -0.46 0.00 0.77 0.00 0.00 58.65 59.31 3i20 h GLN 104 Cb -0.11 0.16 0.24 0.00 0.21 0.00 0.00 27.48 27.97 3i20 h GLN 104 CO -0.06 -0.46 -1.17 0.00 -1.93 0.00 0.00 178.83 175.20 3i20 n ALA 105 N -2.57 -4.21 0.00 3.38 0.00 -0.90 -0.30 120.51 115.91 3i20 n ALA 105 Ca -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 53.44 52.06 3i20 n ALA 105 Cb 0.34 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3i20 n ALA 105 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i20 n LEU 106 N -1.34 0.00 0.37 0.00 7.94 -1.24 -4.21 117.00 118.52 3i20 n LEU 106 Ca 0.01 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.73 3i20 n LEU 106 Cb 0.63 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.49 3i20 n LEU 106 CO 0.51 0.00 0.63 0.00 -1.11 0.00 0.00 177.39 177.42 3i20 h ALA 107 N 0.00 -0.97 -0.16 1.96 0.00 -1.11 0.23 119.26 119.21 3i20 h ALA 107 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3i20 h ALA 107 Cb 0.00 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3i20 h ALA 107 CO 0.00 -1.05 0.12 -0.44 0.00 0.00 0.00 179.25 177.88 3i20 h ASP 108 N -0.96 0.00 -0.39 0.00 3.45 -0.83 -1.20 116.42 116.49 3i20 h ASP 108 Ca -0.09 0.00 -0.16 0.00 0.43 0.00 0.00 57.03 57.22 3i20 h ASP 108 Cb 0.75 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.52 3i20 h ASP 108 CO 0.12 0.00 -0.36 0.00 -1.57 0.00 0.00 179.24 177.43 3i20 h ALA 109 N 1.91 0.60 0.00 3.45 0.00 -1.61 -2.30 119.26 121.32 3i20 h ALA 109 Ca 0.07 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3i20 h ALA 109 Cb 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3i20 h ALA 109 CO -0.00 0.68 -0.09 0.00 0.00 0.00 0.00 179.25 179.84 3i20 h ALA 110 N 0.80 1.04 -2.46 0.00 0.00 0.20 -3.22 119.26 115.63 3i20 h ALA 110 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i20 h ALA 110 Cb 0.95 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3i20 h ALA 110 CO 0.09 0.12 0.00 -2.13 0.00 0.00 0.00 179.25 177.33 3i20 n ARG 111 N -3.26 0.00 -0.23 0.00 0.00 -0.80 -0.84 116.66 111.54 3i20 n ARG 111 Ca 0.00 0.09 -0.20 0.00 -0.00 0.00 0.00 57.85 57.74 3i20 n ARG 111 Cb 0.33 -0.94 -0.05 0.00 0.00 0.00 0.00 32.46 31.80 3i20 n ARG 111 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3i20 n GLU 112 N -0.77 0.01 0.00 -0.14 4.71 -0.91 -1.24 120.64 122.30 3i20 n GLU 112 Ca 0.00 -0.73 0.00 0.00 -0.01 0.00 0.00 57.16 56.42 3i20 n GLU 112 Cb 0.00 -2.23 0.00 0.00 -1.01 0.00 0.00 31.44 28.20 3i20 n GLU 112 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i20 n ALA 113 N 6.77 0.00 0.00 0.62 0.00 -1.23 -4.89 120.51 121.78 3i20 n ALA 113 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3i20 n ALA 113 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3i20 n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i20 n GLY 114 N -1.07 0.99 3.75 0.00 0.00 -0.38 -4.83 105.19 103.66 3i20 n GLY 114 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i20 n GLY 114 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i20 s LEU 115 N 0.00 4.37 -0.41 0.99 2.96 -0.02 -4.84 118.68 121.72 3i20 s LEU 115 Ca 0.00 2.79 -0.18 0.00 -0.22 0.00 0.00 54.13 56.52 3i20 s LEU 115 Cb 0.00 -3.64 0.02 0.00 0.50 0.00 0.00 46.19 43.07 3i20 s LEU 115 CO 0.00 -0.75 0.48 -1.10 -1.32 0.00 0.00 176.35 173.65 3i20 s GLN 116 N -0.84 3.22 0.00 1.98 1.11 -1.26 -4.36 119.66 119.52 3i20 s GLN 116 Ca 0.58 -0.60 0.00 0.00 0.01 0.00 0.00 55.36 55.35 3i20 s GLN 116 Cb -0.44 -3.93 0.00 0.00 -1.01 0.00 0.00 33.01 27.63 3i20 s GLN 116 CO 0.48 -0.83 0.00 1.97 0.01 0.00 0.00 175.29 176.92