#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aoi n ALA 21 N 0.00 0.32 -0.94 -1.18 0.00 -1.26 -5.14 120.51 112.31 1aoi n ALA 21 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1aoi n ALA 21 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1aoi n ALA 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1aoi n THR 22 N -0.18 0.00 0.00 0.00 -1.04 -1.26 -4.97 114.28 106.83 1aoi n THR 22 Ca 0.00 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1aoi n THR 22 Cb 0.00 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 1aoi n THR 22 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1aoi n LYS 23 N 2.07 0.00 -3.72 -2.82 5.02 -1.26 -4.72 118.16 112.72 1aoi n LYS 23 Ca -0.01 0.24 -0.37 0.00 -2.02 0.00 0.00 58.31 56.15 1aoi n LYS 23 Cb 0.65 -0.78 -0.11 0.00 -0.02 0.00 0.00 35.03 34.78 1aoi n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aoi s ALA 24 N -2.89 3.41 0.00 7.82 0.00 -1.26 -4.52 121.76 124.33 1aoi s ALA 24 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 50.95 1aoi s ALA 24 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.88 1aoi s ALA 24 CO 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 175.76 175.42 1aoi n ALA 25 N 4.62 0.00 -0.91 0.00 0.00 -1.26 -5.13 120.51 117.83 1aoi n ALA 25 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.90 1aoi n ALA 25 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 1aoi n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1aoi n ARG 26 N 0.00 0.00 -3.03 0.00 1.74 -1.26 -2.62 116.66 111.49 1aoi n ARG 26 Ca 0.00 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 1aoi n ARG 26 Cb 0.00 -1.04 -0.02 0.00 -1.02 0.00 0.00 32.46 30.38 1aoi n ARG 26 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1aoi n LYS 27 N 5.36 -0.97 -2.33 5.56 5.02 -1.26 -4.81 118.16 124.72 1aoi n LYS 27 Ca 0.40 -0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 56.26 1aoi n LYS 27 Cb -0.02 -0.78 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1aoi n LYS 27 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1aoi n SER 28 N -0.42 6.98 -0.14 4.39 2.88 -1.08 -4.76 113.62 121.47 1aoi n SER 28 Ca -0.08 -3.28 -0.08 0.00 -1.33 0.00 0.00 58.87 54.11 1aoi n SER 28 Cb 0.17 -1.34 0.06 0.00 -0.75 0.00 0.00 64.21 62.35 1aoi n SER 28 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1aoi h ALA 29 N 4.92 0.86 -0.60 -1.46 0.00 -1.89 -3.35 119.26 117.73 1aoi h ALA 29 Ca 0.53 -0.35 -0.74 0.00 0.00 0.00 0.00 54.91 54.36 1aoi h ALA 29 Cb 0.43 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.93 1aoi h ALA 29 CO 1.44 0.64 2.49 -0.35 0.00 0.00 0.00 179.25 183.47 1aoi n PRO 30 N -4.14 3.75 -0.11 0.00 -0.04 -1.26 -4.62 135.00 128.58 1aoi n PRO 30 Ca 0.01 -3.23 -0.17 0.00 -0.04 0.00 0.00 63.50 60.08 1aoi n PRO 30 Cb 0.40 -2.90 -0.06 0.00 -0.04 0.00 0.00 33.50 30.90 1aoi n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1aoi n ALA 31 N 3.66 0.94 -3.05 0.55 0.00 -1.26 -4.73 120.51 116.62 1aoi n ALA 31 Ca 0.51 -0.85 -0.44 0.00 0.00 0.00 0.00 53.44 52.65 1aoi n ALA 31 Cb 0.32 0.02 -0.01 0.00 0.00 0.00 0.00 19.45 19.79 1aoi n ALA 31 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1aoi s THR 32 N -2.66 5.21 -1.54 0.00 -4.23 -1.26 -4.76 115.64 106.40 1aoi s THR 32 Ca -0.31 -2.59 0.25 0.00 -1.18 0.00 0.00 61.69 57.87 1aoi s THR 32 Cb 0.08 -4.80 0.15 0.00 1.34 0.00 0.00 72.50 69.28 1aoi s THR 32 CO 0.44 -1.47 1.46 0.61 -0.54 0.00 0.00 174.62 175.12 1aoi n GLY 33 N 4.07 -0.75 0.06 3.99 0.00 -1.26 -4.08 105.19 107.21 1aoi n GLY 33 Ca 0.30 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1aoi n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aoi n GLY 34 N 1.40 -1.45 3.58 -0.02 0.00 -1.26 -4.66 105.19 102.77 1aoi n GLY 34 Ca 0.10 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1aoi n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aoi s VAL 35 N -3.08 3.97 0.65 1.61 1.01 -1.26 -5.02 120.40 118.27 1aoi s VAL 35 Ca 0.10 0.83 -0.05 0.00 0.00 0.00 0.00 61.98 62.87 1aoi s VAL 35 Cb 0.14 -4.74 0.05 0.00 0.00 0.00 0.00 36.38 31.83 1aoi s VAL 35 CO 0.49 -1.40 0.94 -0.54 0.00 0.00 0.00 175.10 174.59 1aoi s LYS 36 N 5.09 2.41 0.00 2.72 -0.14 -1.26 -5.11 119.74 123.44 1aoi s LYS 36 Ca 0.43 -0.31 0.00 0.00 -1.36 0.00 0.00 55.97 54.72 1aoi s LYS 36 Cb -0.08 -2.25 0.00 0.00 -1.68 0.00 0.00 37.83 33.82 1aoi s LYS 36 CO 0.24 -1.03 0.00 1.63 -0.76 0.00 0.00 175.35 175.44 1aoi n LYS 37 N -2.74 0.00 0.00 1.68 4.01 -1.26 -5.05 118.16 114.81 1aoi n LYS 37 Ca 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 1aoi n LYS 37 Cb 0.60 -0.15 0.00 0.00 -0.51 0.00 0.00 35.03 34.97 1aoi n LYS 37 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1aoi n PRO 38 N 0.00 3.79 -3.73 1.97 -0.05 -1.26 -5.16 135.00 130.56 1aoi n PRO 38 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 63.50 63.32 1aoi n PRO 38 Cb 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 33.50 33.35 1aoi n PRO 38 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 175.50 173.87 1aoi s HIS 39 N 2.15 -0.46 -0.10 0.54 2.46 -1.26 -5.17 115.29 113.45 1aoi s HIS 39 Ca 0.00 1.11 -0.07 0.00 0.47 0.00 0.00 55.06 56.56 1aoi s HIS 39 Cb 0.00 0.16 0.03 0.00 -0.13 0.00 0.00 32.58 32.64 1aoi s HIS 39 CO 0.00 -0.24 0.25 1.03 -2.47 0.00 0.00 174.74 173.31 1aoi s ARG 40 N 0.12 0.26 0.03 2.88 0.52 -1.26 -5.14 118.95 116.36 1aoi s ARG 40 Ca -0.01 0.42 -0.22 0.00 -0.52 0.00 0.00 55.73 55.40 1aoi s ARG 40 Cb -0.03 0.04 -0.06 0.00 0.52 0.00 0.00 34.95 35.42 1aoi s ARG 40 CO 0.01 -0.08 0.65 0.71 0.02 0.00 0.00 175.30 176.60 1aoi s TYR 41 N 0.58 3.72 0.43 -0.53 2.02 -1.26 -5.03 117.35 117.29 1aoi s TYR 41 Ca -0.04 1.30 -0.25 0.00 -0.37 0.00 0.00 57.07 57.72 1aoi s TYR 41 Cb -0.05 -2.66 -0.08 0.00 -0.40 0.00 0.00 41.96 38.77 1aoi s TYR 41 CO -0.03 0.36 1.30 1.03 -1.57 0.00 0.00 175.55 176.64 1aoi s ARG 42 N -0.29 3.81 -0.15 -0.62 0.52 -1.26 -4.86 118.95 116.10 1aoi s ARG 42 Ca 0.33 2.13 -0.38 0.00 -0.52 0.00 0.00 55.73 57.29 1aoi s ARG 42 Cb -0.19 -2.63 -0.15 0.00 0.52 0.00 0.00 34.95 32.50 1aoi s ARG 42 CO 0.19 -0.61 1.71 -0.35 0.02 0.00 0.00 175.30 176.26 1aoi n PRO 43 N -0.13 1.49 0.00 3.54 -0.04 -1.26 -1.65 135.00 136.94 1aoi n PRO 43 Ca 0.05 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1aoi n PRO 43 Cb 0.44 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1aoi n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aoi n GLY 44 N 3.95 2.34 0.12 0.55 0.00 -1.26 -4.95 105.19 105.94 1aoi n GLY 44 Ca 0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 1aoi n GLY 44 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1aoi h THR 45 N 0.00 1.25 -0.48 2.61 2.02 -1.66 -2.39 112.91 114.26 1aoi h THR 45 Ca 0.00 -0.83 -0.08 0.00 0.77 0.00 0.00 66.41 66.27 1aoi h THR 45 Cb 0.00 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1aoi h THR 45 CO 0.00 0.25 -0.01 0.58 0.37 0.00 0.00 175.52 176.71 1aoi h VAL 46 N 0.03 1.26 -0.82 3.16 2.07 -1.93 -1.66 116.25 118.37 1aoi h VAL 46 Ca 0.05 -1.09 0.14 0.00 0.82 0.00 0.00 66.70 66.62 1aoi h VAL 46 Cb 0.37 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.09 1aoi h VAL 46 CO 0.01 0.38 0.54 0.00 0.02 0.00 0.00 177.57 178.51 1aoi h ALA 47 N 0.92 1.97 0.02 1.67 0.00 -1.91 0.12 119.26 122.05 1aoi h ALA 47 Ca 0.14 0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.79 1aoi h ALA 47 Cb 0.52 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.24 1aoi h ALA 47 CO 0.03 -0.19 -1.02 -0.07 0.00 0.00 0.00 179.25 178.00 1aoi h LEU 48 N 0.55 0.86 -0.47 0.00 3.38 -1.10 -2.51 115.31 116.02 1aoi h LEU 48 Ca 0.40 -0.76 0.06 0.00 0.09 0.00 0.00 57.88 57.68 1aoi h LEU 48 Cb 0.77 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1aoi h LEU 48 CO -0.16 1.51 0.18 -0.09 0.09 0.00 0.00 178.44 179.98 1aoi h ARG 49 N 0.31 0.35 -0.60 1.13 2.43 -0.14 -1.16 114.38 116.70 1aoi h ARG 49 Ca -0.13 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 58.97 1aoi h ARG 49 Cb 1.68 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 31.13 1aoi h ARG 49 CO 0.20 0.23 0.22 0.93 -1.51 0.00 0.00 179.97 180.04 1aoi h GLU 50 N 0.37 0.92 0.16 0.20 5.08 -0.88 0.52 114.58 120.95 1aoi h GLU 50 Ca 0.22 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1aoi h GLU 50 Cb 0.21 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1aoi h GLU 50 CO -0.21 0.80 -0.10 0.82 -1.00 0.00 0.00 179.01 179.32 1aoi h ILE 51 N 0.85 0.78 -0.86 3.13 2.04 -1.05 0.58 117.51 122.98 1aoi h ILE 51 Ca 0.20 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.15 1aoi h ILE 51 Cb 0.25 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 1aoi h ILE 51 CO -0.01 0.00 0.51 0.03 0.00 0.00 0.00 178.15 178.68 1aoi h ARG 52 N -0.26 0.83 0.52 2.37 3.08 -1.04 -0.15 114.38 119.73 1aoi h ARG 52 Ca -0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1aoi h ARG 52 Cb 0.22 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.09 1aoi h ARG 52 CO 0.01 0.55 -0.25 -0.09 -1.07 0.00 0.00 179.97 179.12 1aoi h ARG 53 N 0.86 -0.67 0.00 0.04 2.43 -0.21 -2.99 114.38 113.84 1aoi h ARG 53 Ca 0.41 0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.53 1aoi h ARG 53 Cb 0.34 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1aoi h ARG 53 CO -0.23 -0.42 -0.43 1.88 -1.51 0.00 0.00 179.97 179.26 1aoi h TYR 54 N -0.78 0.00 0.00 2.20 0.05 -0.59 -2.64 116.97 115.22 1aoi h TYR 54 Ca -0.07 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.66 1aoi h TYR 54 Cb 0.57 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.30 1aoi h TYR 54 CO -0.02 0.43 -0.21 1.96 -1.05 0.00 0.00 178.16 179.27 1aoi h GLN 55 N 0.00 0.00 0.12 4.88 4.20 -1.06 -2.98 115.11 120.28 1aoi h GLN 55 Ca -0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.43 1aoi h GLN 55 Cb 0.93 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.72 1aoi h GLN 55 CO 0.06 0.21 -1.23 0.87 -0.67 0.00 0.00 178.83 178.07 1aoi h LYS 56 N 0.00 0.32 -7.28 1.46 1.57 -1.32 -3.47 116.57 107.85 1aoi h LYS 56 Ca -0.00 -0.51 -0.46 0.00 -1.87 0.00 0.00 60.65 57.81 1aoi h LYS 56 Cb 0.62 0.18 0.10 0.00 0.08 0.00 0.00 32.23 33.21 1aoi h LYS 56 CO 0.03 1.23 0.18 -1.54 -0.57 0.00 0.00 179.45 178.78 1aoi s SER 57 N -7.18 4.06 0.00 0.86 1.04 -1.11 -5.04 113.70 106.32 1aoi s SER 57 Ca -0.05 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1aoi s SER 57 Cb 0.07 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.11 1aoi s SER 57 CO 0.89 -2.07 0.05 0.35 0.98 0.00 0.00 173.24 173.44 1aoi n THR 58 N -3.05 0.00 -1.26 2.02 -2.24 -1.26 -4.96 114.28 103.52 1aoi n THR 58 Ca 0.15 -0.11 -0.36 0.00 -2.27 0.00 0.00 64.05 61.46 1aoi n THR 58 Cb 0.60 1.40 0.07 0.00 -2.10 0.00 0.00 70.33 70.30 1aoi n THR 58 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1aoi n GLU 59 N -0.11 0.31 -1.81 -0.78 0.28 -1.26 -4.97 120.64 112.30 1aoi n GLU 59 Ca 0.00 0.15 -0.31 0.00 -0.16 0.00 0.00 57.16 56.84 1aoi n GLU 59 Cb 0.10 -1.86 0.03 0.00 1.43 0.00 0.00 31.44 31.14 1aoi n GLU 59 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1aoi s LEU 60 N -0.47 3.09 0.00 -1.84 1.43 -1.26 -5.00 118.68 114.63 1aoi s LEU 60 Ca 0.66 1.36 0.07 0.00 -1.03 0.00 0.00 54.13 55.20 1aoi s LEU 60 Cb -0.35 -4.29 -0.00 0.00 0.03 0.00 0.00 46.19 41.57 1aoi s LEU 60 CO 0.57 -1.14 0.52 0.18 0.23 0.00 0.00 176.35 176.71 1aoi n LEU 61 N -2.91 1.00 -4.72 1.79 4.77 -1.26 -4.97 117.00 110.69 1aoi n LEU 61 Ca 0.07 -0.76 -0.35 0.00 -0.03 0.00 0.00 56.01 54.93 1aoi n LEU 61 Cb 0.55 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 1aoi n LEU 61 CO 0.57 0.21 -0.24 -0.63 -1.33 0.00 0.00 177.39 175.97 1aoi s ILE 62 N -1.13 4.89 0.06 -0.08 1.01 -1.26 -5.03 121.20 119.66 1aoi s ILE 62 Ca 0.06 -0.01 -0.33 0.00 0.00 0.00 0.00 60.65 60.37 1aoi s ILE 62 Cb 0.06 -3.14 -0.12 0.00 0.01 0.00 0.00 42.46 39.27 1aoi s ILE 62 CO 0.18 0.55 1.80 0.54 0.00 0.00 0.00 174.94 178.02 1aoi n ARG 63 N 2.67 2.47 -0.16 2.79 1.74 -1.26 -4.89 116.66 120.01 1aoi n ARG 63 Ca -0.18 0.90 -0.03 0.00 -0.77 0.00 0.00 57.85 57.77 1aoi n ARG 63 Cb 0.53 -2.75 0.04 0.00 -1.02 0.00 0.00 32.46 29.26 1aoi n ARG 63 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1aoi h LYS 64 N 8.33 0.01 0.44 5.56 1.57 -1.98 -2.47 116.57 128.03 1aoi h LYS 64 Ca -0.47 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1aoi h LYS 64 Cb 1.25 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1aoi h LYS 64 CO 0.93 0.01 -0.21 1.25 -0.57 0.00 0.00 179.45 180.86 1aoi h LEU 65 N 0.01 -0.50 -0.92 2.94 5.85 -2.00 -1.06 115.31 119.64 1aoi h LEU 65 Ca 0.24 -0.05 0.21 0.00 0.84 0.00 0.00 57.88 59.12 1aoi h LEU 65 Cb 0.37 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.42 1aoi h LEU 65 CO -0.51 -0.25 0.48 -0.65 -0.34 0.00 0.00 178.44 177.16 1aoi h PRO 66 N -0.72 0.52 0.07 5.25 0.11 -1.92 0.18 132.00 135.49 1aoi h PRO 66 Ca -0.06 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1aoi h PRO 66 Cb 0.52 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1aoi h PRO 66 CO 0.10 0.34 -0.03 0.35 -0.21 0.00 0.00 178.00 178.55 1aoi h PHE 67 N 0.53 -0.08 -1.00 0.65 3.57 -1.31 -1.82 116.94 117.48 1aoi h PHE 67 Ca 0.56 -0.00 0.20 0.00 3.53 0.00 0.00 57.97 62.26 1aoi h PHE 67 Cb 0.99 0.03 -0.11 0.00 2.79 0.00 0.00 35.95 39.65 1aoi h PHE 67 CO -0.08 0.09 0.61 0.37 -2.23 0.00 0.00 178.31 177.07 1aoi h GLN 68 N -0.25 0.69 -0.31 1.11 4.15 0.36 -1.05 115.11 119.82 1aoi h GLN 68 Ca -0.01 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 1aoi h GLN 68 Cb 0.21 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1aoi h GLN 68 CO 0.02 0.46 -0.02 0.00 -1.93 0.00 0.00 178.83 177.35 1aoi h ARG 69 N 0.71 0.56 -0.34 1.69 3.08 -0.97 -1.21 114.38 117.91 1aoi h ARG 69 Ca 0.59 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 60.46 1aoi h ARG 69 Cb 0.98 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 1aoi h ARG 69 CO -0.39 0.71 0.21 1.25 -1.07 0.00 0.00 179.97 180.68 1aoi h LEU 70 N 0.35 0.34 0.17 3.04 5.85 -0.44 0.29 115.31 124.91 1aoi h LEU 70 Ca 0.09 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1aoi h LEU 70 Cb 0.47 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1aoi h LEU 70 CO 0.02 0.25 -0.28 0.58 -0.34 0.00 0.00 178.44 178.67 1aoi h VAL 71 N 0.42 0.39 -0.99 1.05 2.07 -1.10 -1.11 116.25 116.99 1aoi h VAL 71 Ca 0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 1aoi h VAL 71 Cb -0.02 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 30.07 1aoi h VAL 71 CO -0.05 0.00 0.63 0.03 0.02 0.00 0.00 177.57 178.20 1aoi h ARG 72 N -0.53 0.99 0.38 1.57 3.08 -0.97 -0.63 114.38 118.28 1aoi h ARG 72 Ca 0.02 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1aoi h ARG 72 Cb 0.53 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1aoi h ARG 72 CO -0.13 0.66 -0.18 1.49 -1.07 0.00 0.00 179.97 180.73 1aoi h GLU 73 N 1.02 -0.49 0.21 0.04 4.81 -0.39 -0.53 114.58 119.25 1aoi h GLU 73 Ca 0.47 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.74 1aoi h GLU 73 Cb 0.40 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1aoi h GLU 73 CO -0.23 -0.29 -0.25 0.82 -0.73 0.00 0.00 179.01 178.33 1aoi h ILE 74 N -0.59 0.46 -0.37 2.32 2.04 -0.72 -1.91 117.51 118.74 1aoi h ILE 74 Ca -0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.88 1aoi h ILE 74 Cb 0.44 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 1aoi h ILE 74 CO 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 178.12 1aoi h ALA 75 N 0.17 0.21 -0.26 1.87 0.00 -1.09 0.47 119.26 120.61 1aoi h ALA 75 Ca 0.00 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1aoi h ALA 75 Cb 0.49 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1aoi h ALA 75 CO -0.08 -0.48 0.18 0.37 0.00 0.00 0.00 179.25 179.24 1aoi h GLN 76 N -0.03 0.14 0.00 0.00 4.15 -0.90 0.84 115.11 119.30 1aoi h GLN 76 Ca 0.18 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1aoi h GLN 76 Cb 0.31 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1aoi h GLN 76 CO -0.40 0.09 0.00 -0.25 -1.93 0.00 0.00 178.83 176.34 1aoi n ASP 77 N -4.48 0.00 -0.09 -0.69 8.00 0.13 -3.62 116.55 115.81 1aoi n ASP 77 Ca 0.03 -0.62 -0.12 0.00 0.71 0.00 0.00 54.79 54.79 1aoi n ASP 77 Cb 0.24 -0.13 -0.08 0.00 -0.02 0.00 0.00 41.12 41.13 1aoi n ASP 77 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1aoi n PHE 78 N -1.13 0.00 -3.67 1.24 7.35 0.08 -4.99 117.46 116.35 1aoi n PHE 78 Ca 0.20 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.80 1aoi n PHE 78 Cb 0.17 -0.66 -0.09 0.00 0.35 0.00 0.00 39.48 39.25 1aoi n PHE 78 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1aoi s LYS 79 N -2.34 0.46 0.86 -4.13 2.36 -0.03 -5.13 119.74 111.79 1aoi s LYS 79 Ca -0.23 1.02 -0.13 0.00 -2.55 0.00 0.00 55.97 54.08 1aoi s LYS 79 Cb 0.06 0.19 0.13 0.00 -1.05 0.00 0.00 37.83 37.16 1aoi s LYS 79 CO 0.40 -0.18 1.22 0.95 1.55 0.00 0.00 175.35 179.29 1aoi s THR 80 N 1.91 2.02 -0.90 3.43 -4.23 -1.24 -3.77 115.64 112.86 1aoi s THR 80 Ca -0.07 -0.04 -0.07 0.00 -1.18 0.00 0.00 61.69 60.32 1aoi s THR 80 Cb -0.09 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.77 1aoi s THR 80 CO -0.15 0.00 0.68 0.47 -0.54 0.00 0.00 174.62 175.08 1aoi n ASP 81 N -3.47 -5.63 -4.23 3.99 8.00 -1.26 -4.99 116.55 108.96 1aoi n ASP 81 Ca 0.11 -0.79 -0.23 0.00 0.71 0.00 0.00 54.79 54.59 1aoi n ASP 81 Cb 0.60 -2.93 -0.13 0.00 -0.02 0.00 0.00 41.12 38.64 1aoi n ASP 81 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1aoi s LEU 82 N -5.26 2.21 0.33 0.64 1.43 -1.26 -5.16 118.68 111.62 1aoi s LEU 82 Ca 0.14 -0.56 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 1aoi s LEU 82 Cb -0.06 -0.84 -0.05 0.00 0.03 0.00 0.00 46.19 45.27 1aoi s LEU 82 CO 0.86 0.09 0.09 -0.13 0.23 0.00 0.00 176.35 177.49 1aoi s ARG 83 N -1.41 2.28 -0.07 1.70 0.52 -1.26 -5.08 118.95 115.63 1aoi s ARG 83 Ca 0.05 -1.60 -0.03 0.00 -0.52 0.00 0.00 55.73 53.64 1aoi s ARG 83 Cb -0.09 -2.10 0.04 0.00 0.52 0.00 0.00 34.95 33.32 1aoi s ARG 83 CO 0.02 0.14 0.15 -0.06 0.02 0.00 0.00 175.30 175.57 1aoi s PHE 84 N -2.44 -0.17 0.56 -0.53 0.40 -1.26 -5.14 117.98 109.40 1aoi s PHE 84 Ca 0.36 0.51 -0.21 0.00 -0.60 0.00 0.00 56.93 56.99 1aoi s PHE 84 Cb -0.02 -0.12 -0.04 0.00 0.51 0.00 0.00 43.02 43.34 1aoi s PHE 84 CO 0.21 -0.19 1.29 -0.65 0.70 0.00 0.00 175.22 176.59 1aoi s GLN 85 N 1.42 3.12 0.31 0.44 -0.21 -1.26 -4.86 119.66 118.62 1aoi s GLN 85 Ca -0.06 2.06 0.01 0.00 0.02 0.00 0.00 55.36 57.39 1aoi s GLN 85 Cb -0.12 -2.16 0.54 0.00 1.00 0.00 0.00 33.01 32.27 1aoi s GLN 85 CO -0.06 -1.15 1.94 0.66 -2.12 0.00 0.00 175.29 174.56 1aoi h SER 86 N 1.31 0.87 0.96 5.90 4.64 -2.01 -1.49 113.55 123.74 1aoi h SER 86 Ca -0.51 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 60.73 1aoi h SER 86 Cb 1.30 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1aoi h SER 86 CO 0.57 0.59 -0.36 0.77 -0.87 0.00 0.00 176.83 177.53 1aoi h SER 87 N 1.01 0.00 -0.65 4.97 4.64 -1.99 -2.34 113.55 119.19 1aoi h SER 87 Ca 0.34 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.64 1aoi h SER 87 Cb 0.08 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 1aoi h SER 87 CO -0.11 0.36 0.30 0.00 -0.87 0.00 0.00 176.83 176.51 1aoi h ALA 88 N 1.64 0.84 -0.41 5.18 0.00 -1.62 0.78 119.26 125.67 1aoi h ALA 88 Ca -0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1aoi h ALA 88 Cb 0.94 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1aoi h ALA 88 CO 0.05 0.41 0.02 0.28 0.00 0.00 0.00 179.25 180.00 1aoi h VAL 89 N 0.90 1.26 -0.41 0.00 2.07 -1.30 -1.61 116.25 117.16 1aoi h VAL 89 Ca 0.22 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1aoi h VAL 89 Cb 0.13 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1aoi h VAL 89 CO -0.03 0.34 0.27 0.24 0.02 0.00 0.00 177.57 178.41 1aoi h MET 90 N 0.56 0.53 -0.48 1.57 2.86 -1.20 -0.76 114.93 118.01 1aoi h MET 90 Ca 0.12 -0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.81 1aoi h MET 90 Cb 0.46 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 31.93 1aoi h MET 90 CO 0.02 0.35 0.10 0.00 1.06 0.00 0.00 176.91 178.44 1aoi h ALA 91 N 1.16 0.54 -0.63 6.32 0.00 -0.51 0.11 119.26 126.25 1aoi h ALA 91 Ca 0.15 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1aoi h ALA 91 Cb -0.05 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1aoi h ALA 91 CO -0.04 -0.30 0.35 -0.07 0.00 0.00 0.00 179.25 179.19 1aoi h LEU 92 N 0.24 0.77 -0.27 0.00 3.38 -0.94 -1.96 115.31 116.53 1aoi h LEU 92 Ca 0.24 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1aoi h LEU 92 Cb 0.31 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1aoi h LEU 92 CO -0.31 0.63 0.15 -0.61 0.09 0.00 0.00 178.44 178.39 1aoi h GLN 93 N 0.85 0.37 -0.26 1.13 4.15 0.40 0.21 115.11 121.95 1aoi h GLN 93 Ca 0.22 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.66 1aoi h GLN 93 Cb 0.02 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.57 1aoi h GLN 93 CO -0.04 0.31 -0.14 0.93 -1.93 0.00 0.00 178.83 177.96 1aoi h GLU 94 N 0.33 -0.11 -0.63 1.69 4.39 -0.71 -1.01 114.58 118.53 1aoi h GLU 94 Ca 0.09 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.73 1aoi h GLU 94 Cb 0.04 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1aoi h GLU 94 CO -0.02 -0.07 0.10 0.00 -1.16 0.00 0.00 179.01 177.86 1aoi h ALA 95 N 1.09 0.99 0.13 3.43 0.00 -1.12 -2.22 119.26 121.56 1aoi h ALA 95 Ca 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1aoi h ALA 95 Cb 0.32 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1aoi h ALA 95 CO -0.33 0.64 -0.06 0.77 0.00 0.00 0.00 179.25 180.26 1aoi h SER 96 N 0.96 -0.15 -0.13 0.00 0.02 0.25 -2.19 113.55 112.31 1aoi h SER 96 Ca 0.19 -0.05 -0.18 0.00 -0.84 0.00 0.00 61.79 60.91 1aoi h SER 96 Cb 0.42 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 1aoi h SER 96 CO 0.01 -0.05 -0.59 -0.33 -1.14 0.00 0.00 176.83 174.73 1aoi h GLU 97 N -0.25 0.74 -0.92 3.45 5.08 -1.25 -1.66 114.58 119.77 1aoi h GLU 97 Ca -0.02 -0.49 0.07 0.00 -1.00 0.00 0.00 59.36 57.92 1aoi h GLU 97 Cb 0.19 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.44 1aoi h GLU 97 CO 0.03 1.11 0.58 0.00 -1.00 0.00 0.00 179.01 179.73 1aoi h ALA 98 N 0.78 1.30 0.13 3.43 0.00 -1.37 0.26 119.26 123.78 1aoi h ALA 98 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1aoi h ALA 98 Cb 1.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1aoi h ALA 98 CO 0.12 0.31 -0.06 -0.92 0.00 0.00 0.00 179.25 178.70 1aoi h TYR 99 N 1.02 -0.16 -0.93 0.00 3.20 -1.29 -2.65 116.97 116.16 1aoi h TYR 99 Ca 0.41 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.28 1aoi h TYR 99 Cb 0.23 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 1aoi h TYR 99 CO -0.02 0.12 0.56 -0.07 -1.64 0.00 0.00 178.16 177.12 1aoi h LEU 100 N -0.45 1.11 -0.09 2.82 3.38 -0.60 -0.29 115.31 121.19 1aoi h LEU 100 Ca -0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1aoi h LEU 100 Cb 0.36 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1aoi h LEU 100 CO 0.03 0.85 0.04 0.58 0.09 0.00 0.00 178.44 180.03 1aoi h VAL 101 N 1.28 1.12 -0.78 1.22 2.07 -0.53 -1.70 116.25 118.94 1aoi h VAL 101 Ca 0.33 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 1aoi h VAL 101 Cb -0.06 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1aoi h VAL 101 CO -0.06 0.11 0.37 0.00 0.02 0.00 0.00 177.57 178.01 1aoi h ALA 102 N 0.90 1.01 -0.66 1.67 0.00 -1.23 -1.85 119.26 119.10 1aoi h ALA 102 Ca 0.03 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.89 1aoi h ALA 102 Cb 0.14 -0.31 -0.08 0.00 0.00 0.00 0.00 17.79 17.54 1aoi h ALA 102 CO -0.00 0.58 0.26 1.25 0.00 0.00 0.00 179.25 181.34 1aoi h LEU 103 N 1.11 0.27 -0.91 0.00 5.85 -0.79 -1.92 115.31 118.93 1aoi h LEU 103 Ca 0.27 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 1aoi h LEU 103 Cb 0.13 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1aoi h LEU 103 CO -0.03 0.14 0.31 -0.26 -0.34 0.00 0.00 178.44 178.26 1aoi h PHE 104 N 0.44 1.12 -0.36 1.25 0.04 -0.51 -0.40 116.94 118.52 1aoi h PHE 104 Ca 0.34 -0.07 0.05 0.00 2.80 0.00 0.00 57.97 61.09 1aoi h PHE 104 Cb 0.44 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 38.20 1aoi h PHE 104 CO -0.16 0.84 0.09 0.93 -0.60 0.00 0.00 178.31 179.41 1aoi h GLU 105 N 1.08 0.21 0.07 1.51 5.08 -0.78 0.15 114.58 121.90 1aoi h GLU 105 Ca 0.25 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1aoi h GLU 105 Cb 0.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1aoi h GLU 105 CO -0.02 0.14 -0.04 -0.44 -1.00 0.00 0.00 179.01 177.65 1aoi h ASP 106 N 0.21 -0.08 -0.60 1.42 3.32 -1.04 -2.27 116.42 117.38 1aoi h ASP 106 Ca 0.17 -0.14 0.12 0.00 0.02 0.00 0.00 57.03 57.20 1aoi h ASP 106 Cb 0.18 0.02 -0.10 0.00 0.22 0.00 0.00 39.33 39.65 1aoi h ASP 106 CO -0.21 0.09 -0.03 0.74 -1.72 0.00 0.00 179.24 178.11 1aoi h THR 107 N -0.26 0.48 -0.18 0.35 2.02 -0.83 -0.17 112.91 114.33 1aoi h THR 107 Ca -0.01 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.19 1aoi h THR 107 Cb 0.22 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 1aoi h THR 107 CO 0.02 0.02 -0.21 -1.13 0.37 0.00 0.00 175.52 174.59 1aoi h ASN 108 N 0.09 -0.65 -0.73 4.18 -1.24 -0.49 -1.32 115.58 115.42 1aoi h ASN 108 Ca 0.31 0.12 0.09 0.00 0.71 0.00 0.00 56.30 57.52 1aoi h ASN 108 Cb 0.49 0.31 -0.07 0.00 0.73 0.00 0.00 38.32 39.78 1aoi h ASN 108 CO -0.54 -0.25 0.39 -0.07 -1.29 0.00 0.00 177.43 175.67 1aoi h LEU 109 N -0.24 0.54 0.11 0.34 3.38 -0.50 -0.61 115.31 118.33 1aoi h LEU 109 Ca 0.12 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1aoi h LEU 109 Cb 0.41 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1aoi h LEU 109 CO -0.32 0.32 -0.09 0.00 0.09 0.00 0.00 178.44 178.44 1aoi h ALA 111 N 0.67 0.39 -0.47 0.00 0.00 -0.70 0.25 119.26 119.39 1aoi h ALA 111 Ca -0.00 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1aoi h ALA 111 Cb 0.19 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1aoi h ALA 111 CO -0.01 -0.41 0.31 0.82 0.00 0.00 0.00 179.25 179.96 1aoi h ILE 112 N 0.07 1.06 -0.58 0.00 2.04 -0.91 -0.77 117.51 118.41 1aoi h ILE 112 Ca 0.23 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1aoi h ILE 112 Cb 0.35 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1aoi h ILE 112 CO -0.42 0.10 0.25 -0.74 0.00 0.00 0.00 178.15 177.34 1aoi h HIS 113 N 0.54 0.83 -0.01 1.37 2.76 0.88 -0.25 115.15 121.27 1aoi h HIS 113 Ca 0.19 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.32 1aoi h HIS 113 Cb 0.08 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.78 1aoi h HIS 113 CO -0.00 0.63 0.00 0.00 -1.30 0.00 0.00 177.93 177.26 1aoi n ALA 114 N -2.45 2.52 -2.53 5.26 0.00 -0.39 -4.87 120.51 118.05 1aoi n ALA 114 Ca 0.05 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 1aoi n ALA 114 Cb 0.15 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1aoi n ALA 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1aoi n LYS 115 N -0.52 -2.35 -3.99 0.00 5.02 -0.10 -5.00 118.16 111.21 1aoi n LYS 115 Ca 0.03 0.87 -0.27 0.00 -2.02 0.00 0.00 58.31 56.92 1aoi n LYS 115 Cb 0.02 -5.43 -0.01 0.00 -0.02 0.00 0.00 35.03 29.58 1aoi n LYS 115 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1aoi s ARG 116 N -5.12 2.25 0.00 1.97 0.52 -0.66 -5.00 118.95 112.91 1aoi s ARG 116 Ca 0.08 -2.06 0.00 0.00 -0.52 0.00 0.00 55.73 53.23 1aoi s ARG 116 Cb -0.04 -2.03 0.00 0.00 0.52 0.00 0.00 34.95 33.40 1aoi s ARG 116 CO 0.10 -0.58 0.00 0.28 0.02 0.00 0.00 175.30 175.12 1aoi n VAL 117 N -1.70 0.00 -3.10 3.52 0.31 -1.26 -3.65 118.33 112.44 1aoi n VAL 117 Ca -0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.87 1aoi n VAL 117 Cb 0.65 0.08 -0.07 0.00 -0.91 0.00 0.00 33.84 33.59 1aoi n VAL 117 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1aoi s THR 118 N -1.11 4.86 0.38 2.52 2.01 -1.26 -4.98 115.64 118.06 1aoi s THR 118 Ca 0.00 0.49 -0.27 0.00 0.31 0.00 0.00 61.69 62.22 1aoi s THR 118 Cb 0.00 -4.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 1aoi s THR 118 CO 0.00 -0.39 1.25 0.27 -0.69 0.00 0.00 174.62 175.06 1aoi s ILE 119 N 2.77 2.84 0.19 1.82 -4.36 -1.26 -4.92 121.20 118.28 1aoi s ILE 119 Ca 0.24 0.77 0.04 0.00 -0.26 0.00 0.00 60.65 61.45 1aoi s ILE 119 Cb -0.14 -3.46 -0.05 0.00 1.25 0.00 0.00 42.46 40.06 1aoi s ILE 119 CO 0.16 0.13 -0.06 -0.04 0.24 0.00 0.00 174.94 175.37 1aoi s MET 120 N -2.09 1.20 0.27 0.37 -1.94 -1.26 -5.03 119.30 110.82 1aoi s MET 120 Ca 0.54 -1.56 0.01 0.00 -1.71 0.00 0.00 55.69 52.97 1aoi s MET 120 Cb -0.36 -0.65 0.61 0.00 2.01 0.00 0.00 34.83 36.44 1aoi s MET 120 CO 0.47 0.00 1.74 -1.35 -0.01 0.00 0.00 175.02 175.87 1aoi h PRO 121 N 2.63 0.52 -0.85 2.03 0.11 -1.99 0.16 132.00 134.61 1aoi h PRO 121 Ca -0.37 -0.03 0.22 0.00 0.11 0.00 0.00 66.00 65.92 1aoi h PRO 121 Cb 1.21 -0.12 -0.14 0.00 0.11 0.00 0.00 31.00 32.06 1aoi h PRO 121 CO 0.64 0.34 0.20 -0.22 -0.21 0.00 0.00 178.00 178.75 1aoi h LYS 122 N 0.54 0.20 -0.00 1.05 3.64 -1.98 0.26 116.57 120.28 1aoi h LYS 122 Ca 0.50 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.87 1aoi h LYS 122 Cb 0.81 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1aoi h LYS 122 CO -0.43 0.13 -0.00 -0.44 -2.27 0.00 0.00 179.45 176.45 1aoi h ASP 123 N 0.21 0.00 -0.53 4.20 3.32 -1.03 -2.05 116.42 120.54 1aoi h ASP 123 Ca 0.52 -0.42 0.10 0.00 0.02 0.00 0.00 57.03 57.25 1aoi h ASP 123 Cb 1.01 -0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.47 1aoi h ASP 123 CO -0.64 0.42 -0.01 0.40 -1.72 0.00 0.00 179.24 177.69 1aoi h ILE 124 N -0.42 0.57 -0.31 0.35 2.04 -0.81 -0.10 117.51 118.82 1aoi h ILE 124 Ca 0.00 -0.03 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1aoi h ILE 124 Cb 0.42 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1aoi h ILE 124 CO 0.00 0.02 -0.05 1.56 0.00 0.00 0.00 178.15 179.68 1aoi h GLN 125 N 0.10 0.49 -0.26 2.37 4.20 -0.51 -2.31 115.11 119.20 1aoi h GLN 125 Ca 0.27 -0.12 -0.18 0.00 0.06 0.00 0.00 58.65 58.68 1aoi h GLN 125 Cb 0.41 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1aoi h GLN 125 CO -0.45 0.56 -0.55 1.25 -0.67 0.00 0.00 178.83 178.97 1aoi h LEU 126 N 0.47 0.93 0.08 1.46 5.85 -0.58 -0.70 115.31 122.82 1aoi h LEU 126 Ca 0.10 -0.55 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1aoi h LEU 126 Cb 0.38 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1aoi h LEU 126 CO 0.02 1.31 -0.21 0.00 -0.34 0.00 0.00 178.44 179.21 1aoi h ALA 127 N 0.65 -0.34 -0.67 1.25 0.00 -0.74 -1.46 119.26 117.96 1aoi h ALA 127 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1aoi h ALA 127 Cb 1.16 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1aoi h ALA 127 CO 0.12 -0.73 0.22 0.00 0.00 0.00 0.00 179.25 178.86 1aoi h ARG 128 N -0.38 1.04 -0.17 0.00 3.08 -1.42 -0.79 114.38 115.73 1aoi h ARG 128 Ca 0.04 -0.22 0.05 0.00 0.07 0.00 0.00 59.98 59.92 1aoi h ARG 128 Cb 0.42 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 1aoi h ARG 128 CO -0.14 0.89 -0.16 -0.09 -1.07 0.00 0.00 179.97 179.41 1aoi h ARG 129 N 0.97 -0.17 -0.46 0.04 9.65 -0.83 -0.64 114.38 122.95 1aoi h ARG 129 Ca 0.22 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 59.07 1aoi h ARG 129 Cb 0.28 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 1aoi h ARG 129 CO -0.01 -0.11 0.13 0.82 2.80 0.00 0.00 179.97 183.60 1aoi h ILE 130 N -0.17 1.23 -0.01 1.20 2.04 -1.03 -2.72 117.51 118.05 1aoi h ILE 130 Ca 0.11 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1aoi h ILE 130 Cb 0.33 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1aoi h ILE 130 CO -0.28 0.28 0.01 0.03 0.00 0.00 0.00 178.15 178.19 1aoi h ARG 131 N 0.61 0.00 -0.69 2.37 3.08 -0.73 -3.47 114.38 115.56 1aoi h ARG 131 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1aoi h ARG 131 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1aoi h ARG 131 CO -0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1aoi n GLY 132 N -1.32 0.67 0.00 0.04 0.00 -0.30 -5.00 105.19 99.27 1aoi n GLY 132 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1aoi n GLY 132 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aoi n GLU 133 N -0.35 4.82 -2.28 1.61 1.02 -0.86 -4.78 120.64 119.82 1aoi n GLU 133 Ca 0.00 -0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1aoi n GLU 133 Cb 0.21 -0.66 0.04 0.00 -0.02 0.00 0.00 31.44 31.01 1aoi n GLU 133 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1aoi n ARG 134 N -1.16 0.51 0.00 3.49 0.63 -1.25 -5.01 116.66 113.87 1aoi n ARG 134 Ca 0.00 -0.72 0.10 0.00 -0.92 0.00 0.00 57.85 56.31 1aoi n ARG 134 Cb 0.00 0.09 0.60 0.00 0.45 0.00 0.00 32.46 33.60 1aoi n ARG 134 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12