#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3g s VAL 2 N 0.00 3.51 -0.12 1.69 1.01 -1.26 -4.47 120.40 120.75 1i3g s VAL 2 Ca 0.00 1.17 -0.08 0.00 0.00 0.00 0.00 61.98 63.07 1i3g s VAL 2 Cb 0.00 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.82 1i3g s VAL 2 CO 0.00 0.02 0.30 -1.10 0.00 0.00 0.00 175.10 174.32 1i3g s GLN 3 N -2.50 0.30 -0.63 2.72 -0.21 -0.13 -5.00 119.66 114.20 1i3g s GLN 3 Ca 0.59 0.56 0.05 0.00 0.02 0.00 0.00 55.36 56.57 1i3g s GLN 3 Cb -0.25 -0.01 0.15 0.00 1.00 0.00 0.00 33.01 33.91 1i3g s GLN 3 CO 0.31 -0.12 0.40 -0.51 -2.12 0.00 0.00 175.29 173.25 1i3g s LEU 4 N 0.95 4.62 -0.07 2.90 1.43 -1.26 -0.88 118.68 126.36 1i3g s LEU 4 Ca -0.06 -3.53 -0.30 0.00 -1.03 0.00 0.00 54.13 49.21 1i3g s LEU 4 Cb -0.07 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1i3g s LEU 4 CO -0.07 -0.14 1.06 -1.10 0.23 0.00 0.00 176.35 176.33 1i3g s GLN 5 N -1.00 4.43 0.02 1.70 -0.21 -0.25 -3.75 119.66 120.59 1i3g s GLN 5 Ca 0.22 1.48 0.06 0.00 0.02 0.00 0.00 55.36 57.14 1i3g s GLN 5 Cb -0.13 -3.52 -0.02 0.00 1.00 0.00 0.00 33.01 30.34 1i3g s GLN 5 CO -0.10 -0.31 -0.18 -0.65 -2.12 0.00 0.00 175.29 171.93 1i3g s GLN 6 N 1.87 1.34 0.39 2.91 -0.21 -1.26 -0.11 119.66 124.59 1i3g s GLN 6 Ca 0.51 -0.77 -0.26 0.00 0.02 0.00 0.00 55.36 54.86 1i3g s GLN 6 Cb -0.21 -1.36 -0.09 0.00 1.00 0.00 0.00 33.01 32.35 1i3g s GLN 6 CO 0.21 0.36 1.27 -1.25 -2.12 0.00 0.00 175.29 173.76 1i3g s PRO 7 N -0.82 4.03 0.14 2.91 0.04 -1.26 -4.78 135.00 135.26 1i3g s PRO 7 Ca 0.06 2.09 -0.19 0.00 0.04 0.00 0.00 61.00 63.00 1i3g s PRO 7 Cb -0.08 -2.78 0.01 0.00 0.04 0.00 0.00 34.50 31.69 1i3g s PRO 7 CO 0.01 -0.42 1.69 0.78 0.04 0.00 0.00 177.00 179.10 1i3g h GLY 9 N 2.76 0.17 -2.95 0.56 0.00 -1.98 -3.36 103.07 98.27 1i3g h GLY 9 Ca -0.49 0.09 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1i3g h GLY 9 CO 0.63 -0.11 -0.26 0.00 0.00 0.00 0.00 176.54 176.80 1i3g s ALA 10 N -6.20 -0.35 -0.07 3.60 0.00 -1.26 -1.42 121.76 116.06 1i3g s ALA 10 Ca -0.14 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 1i3g s ALA 10 Cb 0.12 0.68 0.04 0.00 0.00 0.00 0.00 23.12 23.96 1i3g s ALA 10 CO 0.69 -0.61 0.14 -1.21 0.00 0.00 0.00 175.76 174.77 1i3g s GLU 11 N -3.89 0.06 -0.23 0.00 0.41 0.05 -4.88 118.70 110.22 1i3g s GLU 11 Ca 0.09 0.40 -0.08 0.00 -0.41 0.00 0.00 54.97 54.97 1i3g s GLU 11 Cb 0.03 -0.22 -0.04 0.00 -1.78 0.00 0.00 34.13 32.13 1i3g s GLU 11 CO -0.07 -0.20 0.09 -0.51 -0.49 0.00 0.00 175.26 174.08 1i3g s LEU 12 N 1.45 3.64 0.14 1.80 2.01 -1.26 -0.78 118.68 125.68 1i3g s LEU 12 Ca -0.06 -0.09 0.08 0.00 0.01 0.00 0.00 54.13 54.07 1i3g s LEU 12 Cb -0.12 -1.97 -0.04 0.00 0.01 0.00 0.00 46.19 44.08 1i3g s LEU 12 CO -0.06 0.02 -0.19 -0.69 1.01 0.00 0.00 176.35 176.45 1i3g s VAL 13 N 1.27 1.74 0.03 -1.59 1.01 0.19 -4.96 120.40 118.10 1i3g s VAL 13 Ca 0.05 -1.75 -0.19 0.00 0.00 0.00 0.00 61.98 60.10 1i3g s VAL 13 Cb -0.15 -1.70 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 1i3g s VAL 13 CO 0.04 -0.22 0.54 -0.60 0.00 0.00 0.00 175.10 174.86 1i3g s ARG 14 N -2.42 4.18 0.09 2.72 3.52 -1.26 -0.80 118.95 124.98 1i3g s ARG 14 Ca 0.11 0.66 -0.35 0.00 -0.13 0.00 0.00 55.73 56.02 1i3g s ARG 14 Cb -0.07 -3.27 -0.15 0.00 -1.56 0.00 0.00 34.95 29.90 1i3g s ARG 14 CO 0.05 0.57 1.52 -2.30 -0.81 0.00 0.00 175.30 174.33 1i3g n PRO 15 N 2.06 1.74 -0.02 5.12 -0.02 -1.26 -1.96 135.00 140.67 1i3g n PRO 15 Ca -0.10 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1i3g n PRO 15 Cb 0.51 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1i3g n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1i3g n GLY 16 N 3.20 0.89 0.22 -1.23 0.00 0.18 -4.91 105.19 103.54 1i3g n GLY 16 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 1i3g n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i3g n ALA 17 N -1.38 0.00 -2.58 4.61 0.00 -0.83 -3.52 120.51 116.81 1i3g n ALA 17 Ca 0.00 -0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.10 1i3g n ALA 17 Cb 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 1i3g n ALA 17 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i3g s SER 18 N -1.23 4.28 -0.00 0.00 0.01 -1.26 -1.98 113.70 113.51 1i3g s SER 18 Ca 0.04 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.51 1i3g s SER 18 Cb -0.00 -0.66 -0.00 0.00 0.21 0.00 0.00 66.02 65.56 1i3g s SER 18 CO 0.03 -0.06 -0.04 0.54 0.41 0.00 0.00 173.24 174.12 1i3g s VAL 19 N -2.41 0.32 -0.24 3.43 0.11 -0.31 -4.95 120.40 116.35 1i3g s VAL 19 Ca 0.32 -0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 59.14 1i3g s VAL 19 Cb -0.05 -0.28 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1i3g s VAL 19 CO 0.19 0.06 -0.08 -0.75 -3.33 0.00 0.00 175.10 171.19 1i3g s LYS 20 N -0.17 2.87 -0.13 1.54 2.20 -1.26 -1.83 119.74 122.96 1i3g s LYS 20 Ca 0.01 -0.95 -0.05 0.00 -0.36 0.00 0.00 55.97 54.62 1i3g s LYS 20 Cb -0.02 -2.93 -0.04 0.00 -1.51 0.00 0.00 37.83 33.33 1i3g s LYS 20 CO -0.00 -0.37 0.04 -0.51 -0.36 0.00 0.00 175.35 174.16 1i3g s LEU 21 N 1.32 3.78 0.19 5.43 1.43 0.09 -4.96 118.68 125.96 1i3g s LEU 21 Ca 0.01 0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.32 1i3g s LEU 21 Cb -0.16 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1i3g s LEU 21 CO -0.05 0.29 0.11 -0.94 0.23 0.00 0.00 176.35 175.99 1i3g s SER 22 N -0.33 5.30 -0.34 2.29 1.04 -1.26 -1.61 113.70 118.79 1i3g s SER 22 Ca 0.08 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.29 1i3g s SER 22 Cb -0.12 -1.31 0.15 0.00 0.10 0.00 0.00 66.02 64.84 1i3g s SER 22 CO 0.02 0.05 0.35 0.00 0.98 0.00 0.00 173.24 174.64 1i3g s LYS 24 N 1.82 4.17 0.08 0.00 2.20 0.84 -1.01 119.74 127.85 1i3g s LYS 24 Ca 0.14 0.82 -0.09 0.00 -0.36 0.00 0.00 55.97 56.48 1i3g s LYS 24 Cb -0.15 -3.64 -0.06 0.00 -1.51 0.00 0.00 37.83 32.48 1i3g s LYS 24 CO -0.15 -0.46 0.39 0.00 -0.36 0.00 0.00 175.35 174.77 1i3g s ALA 25 N 2.66 3.74 -0.01 3.13 0.00 -0.69 -1.09 121.76 129.50 1i3g s ALA 25 Ca 0.32 -0.41 -0.25 0.00 0.00 0.00 0.00 51.96 51.62 1i3g s ALA 25 Cb -0.15 -2.24 0.05 0.00 0.00 0.00 0.00 23.12 20.78 1i3g s ALA 25 CO 0.08 0.58 0.56 -1.54 0.00 0.00 0.00 175.76 175.44 1i3g s SER 26 N -1.85 -0.50 0.00 0.00 1.04 -0.06 -4.86 113.70 107.47 1i3g s SER 26 Ca 0.34 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.20 1i3g s SER 26 Cb -0.14 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1i3g s SER 26 CO 0.19 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1i3g n GLY 27 N 0.84 0.79 3.74 7.32 0.00 -1.26 -0.96 105.19 115.66 1i3g n GLY 27 Ca -0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 1i3g n GLY 27 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i3g s TYR 29 N -2.00 -0.16 -0.58 1.61 1.13 -1.26 -4.48 117.35 111.62 1i3g s TYR 29 Ca 0.00 -0.14 -0.27 0.00 -1.41 0.00 0.00 57.07 55.24 1i3g s TYR 29 Cb 0.00 0.64 0.00 0.00 -1.10 0.00 0.00 41.96 41.50 1i3g s TYR 29 CO 0.00 -0.84 1.54 0.99 -2.51 0.00 0.00 175.55 174.74 1i3g s THR 30 N -3.33 3.64 0.47 -3.49 2.01 -1.26 -4.88 115.64 108.81 1i3g s THR 30 Ca 0.11 0.50 0.29 0.00 0.31 0.00 0.00 61.69 62.90 1i3g s THR 30 Cb -0.02 -4.31 0.49 0.00 0.01 0.00 0.00 72.50 68.67 1i3g s THR 30 CO 0.01 -1.13 1.76 0.15 -0.69 0.00 0.00 174.62 174.72 1i3g h PHE 31 N 12.07 0.34 0.00 4.92 3.57 -1.95 -2.46 116.94 133.42 1i3g h PHE 31 Ca -0.27 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1i3g h PHE 31 Cb 1.11 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.76 1i3g h PHE 31 CO 1.04 -0.01 -0.26 0.25 -2.23 0.00 0.00 178.31 177.11 1i3g n THR 32 N -4.42 0.31 1.22 4.41 -2.24 -1.26 -4.05 114.28 108.25 1i3g n THR 32 Ca 0.28 -0.18 0.13 0.00 -2.27 0.00 0.00 64.05 62.01 1i3g n THR 32 Cb 1.16 -0.31 0.34 0.00 -2.10 0.00 0.00 70.33 69.42 1i3g n THR 32 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1i3g n SER 33 N -1.95 1.12 -4.14 3.42 7.64 -0.93 -3.94 113.62 114.85 1i3g n SER 33 Ca 0.05 -0.96 -0.26 0.00 1.01 0.00 0.00 58.87 58.72 1i3g n SER 33 Cb 0.40 0.17 -0.16 0.00 -1.01 0.00 0.00 64.21 63.61 1i3g n SER 33 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1i3g s TYR 39 N -2.49 1.67 0.42 1.43 1.51 -1.26 -5.11 117.35 113.51 1i3g s TYR 39 Ca 0.24 -0.45 -0.25 0.00 -1.01 0.00 0.00 57.07 55.60 1i3g s TYR 39 Cb 0.19 -1.12 -0.08 0.00 -0.11 0.00 0.00 41.96 40.84 1i3g s TYR 39 CO 0.52 -0.14 1.20 -1.58 -1.11 0.00 0.00 175.55 174.44 1i3g s TRP 40 N -0.04 2.96 -0.15 2.71 0.52 -1.26 -4.50 118.94 119.18 1i3g s TRP 40 Ca -0.02 1.52 -0.01 0.00 0.02 0.00 0.00 56.10 57.61 1i3g s TRP 40 Cb -0.11 -3.46 -0.01 0.00 -1.15 0.00 0.00 33.47 28.75 1i3g s TRP 40 CO 0.02 -1.55 -0.11 0.42 0.02 0.00 0.00 176.95 175.74 1i3g s ILE 41 N -1.41 3.10 0.13 2.03 1.01 -0.09 -4.47 121.20 121.51 1i3g s ILE 41 Ca 0.59 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.67 1i3g s ILE 41 Cb -0.32 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1i3g s ILE 41 CO 0.40 0.51 -0.01 0.20 0.00 0.00 0.00 174.94 176.04 1i3g s ASN 42 N 0.60 4.87 -0.10 3.58 -0.87 0.49 -0.78 114.94 122.73 1i3g s ASN 42 Ca -0.07 -0.29 0.03 0.00 -1.57 0.00 0.00 52.86 50.96 1i3g s ASN 42 Cb -0.15 -1.09 -0.01 0.00 -0.02 0.00 0.00 41.25 39.98 1i3g s ASN 42 CO 0.03 0.14 -0.21 0.26 -2.57 0.00 0.00 177.10 174.75 1i3g s TRP 43 N -1.48 2.62 -0.01 2.20 0.52 -0.58 -0.36 118.94 121.85 1i3g s TRP 43 Ca 0.26 -0.89 0.05 0.00 0.02 0.00 0.00 56.10 55.54 1i3g s TRP 43 Cb -0.11 -1.73 -0.01 0.00 -1.15 0.00 0.00 33.47 30.47 1i3g s TRP 43 CO 0.18 -0.33 -0.17 0.08 0.02 0.00 0.00 176.95 176.73 1i3g s VAL 44 N 0.27 1.32 -0.11 4.03 1.01 0.16 -1.28 120.40 125.80 1i3g s VAL 44 Ca -0.15 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1i3g s VAL 44 Cb -0.17 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1i3g s VAL 44 CO 0.07 0.37 -0.02 -0.75 0.00 0.00 0.00 175.10 174.78 1i3g s LYS 45 N -0.38 3.26 -0.06 2.72 2.20 0.56 -0.71 119.74 127.33 1i3g s LYS 45 Ca 0.06 -0.46 -0.01 0.00 -0.36 0.00 0.00 55.97 55.20 1i3g s LYS 45 Cb -0.07 -2.83 0.03 0.00 -1.51 0.00 0.00 37.83 33.45 1i3g s LYS 45 CO -0.01 0.50 -0.00 -1.14 -0.36 0.00 0.00 175.35 174.34 1i3g s GLN 46 N -0.34 0.58 -0.09 4.03 0.74 0.88 -1.22 119.66 124.24 1i3g s GLN 46 Ca 0.06 0.09 0.02 0.00 0.05 0.00 0.00 55.36 55.58 1i3g s GLN 46 Cb -0.12 -0.89 -0.02 0.00 1.10 0.00 0.00 33.01 33.08 1i3g s GLN 46 CO 0.02 -0.26 -0.15 1.03 -0.55 0.00 0.00 175.29 175.39 1i3g s ARG 47 N 1.73 2.95 0.28 1.67 0.52 -1.26 -0.11 118.95 124.73 1i3g s ARG 47 Ca 0.01 -0.71 -0.03 0.00 -0.52 0.00 0.00 55.73 54.48 1i3g s ARG 47 Cb -0.13 -2.48 0.57 0.00 0.52 0.00 0.00 34.95 33.43 1i3g s ARG 47 CO -0.04 0.40 1.49 -2.30 0.02 0.00 0.00 175.30 174.86 1i3g n PRO 48 N 2.97 -0.08 -0.10 3.54 -0.02 -1.26 -1.71 135.00 138.35 1i3g n PRO 48 Ca -0.18 1.46 -0.10 0.00 -2.02 0.00 0.00 63.50 62.66 1i3g n PRO 48 Cb 0.52 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 1i3g n PRO 48 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1i3g h GLY 49 N 0.00 0.54 -1.04 -1.23 0.00 -2.01 -3.46 103.07 95.86 1i3g h GLY 49 Ca 0.51 -0.36 -0.33 0.00 0.00 0.00 0.00 47.33 47.16 1i3g h GLY 49 CO -0.94 0.33 -0.06 0.61 0.00 0.00 0.00 176.54 176.48 1i3g n GLN 50 N -4.63 0.75 0.00 4.80 0.00 -0.69 -5.13 117.38 112.48 1i3g n GLN 50 Ca -0.02 -2.10 0.00 0.00 0.00 0.00 0.00 57.00 54.88 1i3g n GLN 50 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 30.24 30.32 1i3g n GLN 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1i3g n GLY 51 N 0.31 -0.63 3.87 2.61 0.00 -1.26 -4.53 105.19 105.55 1i3g n GLY 51 Ca 0.10 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 1i3g n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i3g s LEU 52 N 0.00 4.13 -0.05 0.99 1.43 -1.26 -4.27 118.68 119.64 1i3g s LEU 52 Ca 0.00 1.04 -0.00 0.00 -1.03 0.00 0.00 54.13 54.14 1i3g s LEU 52 Cb 0.00 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.43 1i3g s LEU 52 CO 0.00 -0.12 -0.01 -0.70 0.23 0.00 0.00 176.35 175.75 1i3g s GLU 53 N -2.87 0.57 -0.10 1.70 2.12 -0.36 -4.98 118.70 114.79 1i3g s GLU 53 Ca 0.50 0.05 -0.29 0.00 0.36 0.00 0.00 54.97 55.59 1i3g s GLU 53 Cb -0.11 -0.79 -0.02 0.00 0.26 0.00 0.00 34.13 33.47 1i3g s GLU 53 CO 0.20 -0.20 0.97 -0.46 -0.54 0.00 0.00 175.26 175.23 1i3g s TRP 54 N 1.43 3.52 -0.17 5.30 -0.00 -1.26 -0.33 118.94 127.44 1i3g s TRP 54 Ca -0.03 1.56 -0.20 0.00 -0.00 0.00 0.00 56.10 57.42 1i3g s TRP 54 Cb -0.13 -3.15 -0.22 0.00 -0.00 0.00 0.00 33.47 29.97 1i3g s TRP 54 CO -0.03 -0.19 0.36 0.82 -0.00 0.00 0.00 176.95 177.92 1i3g h ILE 55 N 5.06 1.02 0.00 5.86 2.04 -1.56 -3.42 117.51 126.51 1i3g h ILE 55 Ca -0.32 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.28 1i3g h ILE 55 Cb 1.16 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.72 1i3g h ILE 55 CO 0.84 0.48 0.00 0.61 0.00 0.00 0.00 178.15 180.07 1i3g n GLY 56 N 1.56 -1.51 3.41 5.37 0.00 -1.24 -0.38 105.19 112.42 1i3g n GLY 56 Ca -0.28 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 1i3g n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i3g s ASN 57 N -2.96 -0.00 -0.08 1.61 6.03 0.64 -1.53 114.94 118.66 1i3g s ASN 57 Ca 0.00 -0.96 -0.08 0.00 -1.03 0.00 0.00 52.86 50.79 1i3g s ASN 57 Cb 0.00 0.49 0.02 0.00 -3.03 0.00 0.00 41.25 38.73 1i3g s ASN 57 CO 0.00 -0.98 0.23 -0.51 -2.03 0.00 0.00 177.10 173.80 1i3g s ILE 58 N -4.01 0.01 -0.45 0.54 2.07 0.04 -2.17 121.20 117.22 1i3g s ILE 58 Ca 0.22 -0.06 -0.15 0.00 -1.41 0.00 0.00 60.65 59.26 1i3g s ILE 58 Cb 0.02 -0.34 0.06 0.00 0.13 0.00 0.00 42.46 42.33 1i3g s ILE 58 CO 0.05 -0.03 0.36 -0.47 -1.91 0.00 0.00 174.94 172.94 1i3g s TYR 59 N -0.02 3.25 0.32 3.50 5.04 -0.36 -0.91 117.35 128.16 1i3g s TYR 59 Ca -0.01 -0.92 0.09 0.00 -2.44 0.00 0.00 57.07 53.79 1i3g s TYR 59 Cb -0.02 -3.03 0.92 0.00 0.35 0.00 0.00 41.96 40.18 1i3g s TYR 59 CO 0.01 -0.76 1.64 -1.35 -1.34 0.00 0.00 175.55 173.75 1i3g h PRO 60 N 8.70 0.22 -0.59 4.97 0.11 -1.81 0.29 132.00 143.88 1i3g h PRO 60 Ca -0.28 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.92 1i3g h PRO 60 Cb 1.11 -0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.09 1i3g h PRO 60 CO 0.84 0.14 0.15 0.77 -0.21 0.00 0.00 178.00 179.69 1i3g h SER 61 N 0.22 0.06 0.00 -2.05 0.02 -1.87 -3.27 113.55 106.66 1i3g h SER 61 Ca 0.65 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.70 1i3g h SER 61 Cb 1.44 0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.11 1i3g h SER 61 CO -0.67 0.04 0.00 -0.90 -1.14 0.00 0.00 176.83 174.17 1i3g n ASP 65 N -5.09 1.34 -2.44 3.07 5.68 -1.00 -5.01 116.55 113.10 1i3g n ASP 65 Ca 0.08 -1.61 -0.20 0.00 -0.50 0.00 0.00 54.79 52.56 1i3g n ASP 65 Cb 0.30 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.27 1i3g n ASP 65 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1i3g n SER 66 N -0.31 -5.78 -4.74 -1.12 7.64 0.97 -4.95 113.62 105.33 1i3g n SER 66 Ca 0.00 -0.02 -0.41 0.00 1.01 0.00 0.00 58.87 59.46 1i3g n SER 66 Cb 0.28 -4.81 -0.04 0.00 -1.01 0.00 0.00 64.21 58.63 1i3g n SER 66 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1i3g s TYR 67 N -3.02 3.45 0.06 1.43 5.04 -1.21 -4.78 117.35 118.32 1i3g s TYR 67 Ca 0.02 1.49 0.05 0.00 -2.44 0.00 0.00 57.07 56.19 1i3g s TYR 67 Cb -0.01 -3.41 -0.03 0.00 0.35 0.00 0.00 41.96 38.87 1i3g s TYR 67 CO 0.02 -1.08 -0.15 0.95 -1.34 0.00 0.00 175.55 173.95 1i3g s THR 68 N -0.34 1.21 -0.09 4.34 -4.23 -1.26 -1.23 115.64 114.04 1i3g s THR 68 Ca 0.51 -1.22 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1i3g s THR 68 Cb -0.33 -1.12 0.01 0.00 1.34 0.00 0.00 72.50 72.40 1i3g s THR 68 CO 0.38 -0.10 -0.19 0.20 -0.54 0.00 0.00 174.62 174.37 1i3g s ASN 69 N -1.52 2.54 0.16 3.99 0.01 -0.92 -4.97 114.94 114.22 1i3g s ASN 69 Ca 0.01 -0.45 0.11 0.00 -0.71 0.00 0.00 52.86 51.81 1i3g s ASN 69 Cb -0.09 -1.16 -0.04 0.00 0.41 0.00 0.00 41.25 40.36 1i3g s ASN 69 CO 0.02 0.10 -0.25 -0.31 -1.51 0.00 0.00 177.10 175.16 1i3g s TYR 70 N 0.49 2.24 0.31 2.20 2.02 -1.26 -0.26 117.35 123.09 1i3g s TYR 70 Ca -0.17 -0.38 -0.28 0.00 -0.37 0.00 0.00 57.07 55.87 1i3g s TYR 70 Cb -0.17 -1.16 -0.09 0.00 -0.40 0.00 0.00 41.96 40.14 1i3g s TYR 70 CO 0.06 0.40 1.09 1.21 -1.57 0.00 0.00 175.55 176.75 1i3g s ASN 71 N -2.36 7.12 0.58 2.29 3.84 0.49 -4.88 114.94 122.03 1i3g s ASN 71 Ca 0.17 2.23 0.29 0.00 0.21 0.00 0.00 52.86 55.76 1i3g s ASN 71 Cb -0.09 -2.62 1.76 0.00 -0.55 0.00 0.00 41.25 39.76 1i3g s ASN 71 CO 0.08 -0.24 2.22 1.56 -2.79 0.00 0.00 177.10 177.93 1i3g h GLN 72 N 3.49 0.00 0.00 0.43 7.50 -1.94 0.44 115.11 125.03 1i3g h GLN 72 Ca -0.47 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 58.64 1i3g h GLN 72 Cb 1.21 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.74 1i3g h GLN 72 CO 0.66 0.02 -0.17 -0.22 -1.50 0.00 0.00 178.83 177.63 1i3g h LYS 73 N 0.00 0.00 0.00 1.46 3.64 -1.94 -3.36 116.57 116.37 1i3g h LYS 73 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1i3g h LYS 73 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1i3g h LYS 73 CO 0.00 0.17 0.00 1.19 -2.27 0.00 0.00 179.45 178.54 1i3g n PHE 74 N -3.22 0.00 -0.10 1.91 3.72 0.04 -4.86 117.46 114.94 1i3g n PHE 74 Ca 0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.31 1i3g n PHE 74 Cb 0.48 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.97 1i3g n PHE 74 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1i3g h LYS 75 N 0.00 -0.33 0.00 -1.08 3.64 -1.42 -0.41 116.57 116.96 1i3g h LYS 75 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1i3g h LYS 75 Cb 0.14 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1i3g h LYS 75 CO 0.00 -0.22 -0.41 -0.44 -2.27 0.00 0.00 179.45 176.11 1i3g h ASP 76 N -0.35 0.00 0.84 4.20 3.32 -1.89 -3.30 116.42 119.24 1i3g h ASP 76 Ca 0.13 -0.12 -0.22 0.00 0.02 0.00 0.00 57.03 56.85 1i3g h ASP 76 Cb 0.59 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1i3g h ASP 76 CO -0.54 0.06 -1.00 0.50 -1.72 0.00 0.00 179.24 176.53 1i3g h LYS 77 N 0.00 0.08 -6.06 3.56 3.64 -1.76 -3.46 116.57 112.57 1i3g h LYS 77 Ca 0.00 -0.13 -0.54 0.00 -1.27 0.00 0.00 60.65 58.71 1i3g h LYS 77 Cb 0.78 0.04 -0.20 0.00 -0.41 0.00 0.00 32.23 32.44 1i3g h LYS 77 CO 0.00 1.01 -0.81 0.00 -2.27 0.00 0.00 179.45 177.38 1i3g s ALA 78 N -2.83 1.85 -0.02 5.00 0.00 -0.21 -2.73 121.76 122.81 1i3g s ALA 78 Ca -0.01 -1.32 0.02 0.00 0.00 0.00 0.00 51.96 50.66 1i3g s ALA 78 Cb 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1i3g s ALA 78 CO 0.83 0.31 -0.08 -0.08 0.00 0.00 0.00 175.76 176.74 1i3g s THR 79 N -1.47 0.72 -0.12 0.00 -1.32 -0.55 -4.74 115.64 108.17 1i3g s THR 79 Ca 0.09 -0.33 0.01 0.00 -1.21 0.00 0.00 61.69 60.25 1i3g s THR 79 Cb -0.09 -0.65 -0.01 0.00 -1.51 0.00 0.00 72.50 70.24 1i3g s THR 79 CO 0.05 0.23 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.78 1i3g s LEU 80 N 0.20 2.63 0.22 9.08 1.02 -1.26 -1.65 118.68 128.92 1i3g s LEU 80 Ca -0.03 -0.34 -0.05 0.00 0.02 0.00 0.00 54.13 53.72 1i3g s LEU 80 Cb -0.08 -1.58 -0.03 0.00 0.02 0.00 0.00 46.19 44.53 1i3g s LEU 80 CO 0.00 0.19 0.26 0.42 0.02 0.00 0.00 176.35 177.24 1i3g s THR 81 N 0.21 0.00 0.18 5.49 -4.23 -1.03 -4.99 115.64 111.27 1i3g s THR 81 Ca -0.09 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1i3g s THR 81 Cb -0.15 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1i3g s THR 81 CO 0.05 -0.01 0.06 0.68 -0.54 0.00 0.00 174.62 174.87 1i3g s VAL 82 N -4.10 0.33 -0.51 2.29 -7.23 -1.26 -1.23 120.40 108.68 1i3g s VAL 82 Ca 0.32 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.58 1i3g s VAL 82 Cb 0.04 -2.27 0.19 0.00 0.56 0.00 0.00 36.38 34.90 1i3g s VAL 82 CO 0.11 -0.29 0.45 -0.67 -0.31 0.00 0.00 175.10 174.39 1i3g n ASP 83 N -0.24 1.03 -0.40 4.85 4.64 0.14 -4.97 116.55 121.60 1i3g n ASP 83 Ca -0.03 -2.77 0.33 0.00 -1.38 0.00 0.00 54.79 50.94 1i3g n ASP 83 Cb 0.64 -0.64 0.63 0.00 -1.04 0.00 0.00 41.12 40.72 1i3g n ASP 83 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1i3g h LYS 84 N 5.15 0.17 0.00 -0.67 1.57 -1.90 0.13 116.57 121.02 1i3g h LYS 84 Ca 0.20 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1i3g h LYS 84 Cb 0.84 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1i3g h LYS 84 CO 0.53 0.11 -0.28 0.66 -0.57 0.00 0.00 179.45 179.90 1i3g h SER 85 N 0.18 0.00 -0.03 0.86 4.64 -1.96 -3.02 113.55 114.22 1i3g h SER 85 Ca 0.71 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 1i3g h SER 85 Cb 2.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.32 1i3g h SER 85 CO -0.29 0.28 0.00 -1.54 -0.87 0.00 0.00 176.83 174.41 1i3g n SER 86 N -3.57 1.89 -3.25 4.97 3.41 0.24 -4.99 113.62 112.32 1i3g n SER 86 Ca -0.01 -1.45 -0.24 0.00 -0.26 0.00 0.00 58.87 56.92 1i3g n SER 86 Cb 0.42 -0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.39 1i3g n SER 86 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1i3g n SER 87 N 0.55 -5.67 -4.51 4.04 7.64 -0.05 -4.79 113.62 110.82 1i3g n SER 87 Ca 0.06 -0.39 -0.33 0.00 1.01 0.00 0.00 58.87 59.22 1i3g n SER 87 Cb 0.26 -4.57 -0.12 0.00 -1.01 0.00 0.00 64.21 58.77 1i3g n SER 87 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1i3g s THR 88 N -3.17 3.27 -0.06 0.44 2.01 -1.17 -1.71 115.64 115.25 1i3g s THR 88 Ca 0.40 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 1i3g s THR 88 Cb -0.19 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 1i3g s THR 88 CO 0.49 0.59 -0.01 0.00 -0.69 0.00 0.00 174.62 175.01 1i3g s ALA 89 N -0.76 3.23 0.16 7.40 0.00 -0.18 -0.69 121.76 130.93 1i3g s ALA 89 Ca 0.12 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.30 1i3g s ALA 89 Cb -0.11 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 21.57 1i3g s ALA 89 CO 0.01 0.60 -0.16 0.71 0.00 0.00 0.00 175.76 176.91 1i3g s TYR 90 N -0.92 1.68 -0.05 0.00 2.02 -0.36 -0.88 117.35 118.83 1i3g s TYR 90 Ca 0.15 -0.51 -0.03 0.00 -0.37 0.00 0.00 57.07 56.31 1i3g s TYR 90 Cb -0.11 -0.84 0.03 0.00 -0.40 0.00 0.00 41.96 40.64 1i3g s TYR 90 CO 0.04 0.28 0.11 1.41 -1.57 0.00 0.00 175.55 175.82 1i3g s MET 91 N -2.89 0.08 -0.04 -0.62 -2.45 -0.64 -2.45 119.30 110.30 1i3g s MET 91 Ca 0.15 0.27 0.06 0.00 -1.25 0.00 0.00 55.69 54.92 1i3g s MET 91 Cb -0.05 -0.11 -0.01 0.00 1.25 0.00 0.00 34.83 35.91 1i3g s MET 91 CO 0.05 -0.11 -0.24 -0.65 1.05 0.00 0.00 175.02 175.12 1i3g s GLN 92 N 0.78 2.18 0.08 4.11 -0.21 -0.66 -0.73 119.66 125.21 1i3g s GLN 92 Ca -0.06 -0.85 0.10 0.00 0.02 0.00 0.00 55.36 54.57 1i3g s GLN 92 Cb -0.08 -1.96 -0.03 0.00 1.00 0.00 0.00 33.01 31.94 1i3g s GLN 92 CO -0.03 0.43 -0.26 -0.51 -2.12 0.00 0.00 175.29 172.79 1i3g s LEU 93 N -0.32 2.23 0.33 2.90 1.43 -0.76 -1.48 118.68 123.01 1i3g s LEU 93 Ca 0.02 -0.65 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 1i3g s LEU 93 Cb -0.11 -1.24 -0.05 0.00 0.03 0.00 0.00 46.19 44.81 1i3g s LEU 93 CO 0.01 0.22 0.08 -0.94 0.23 0.00 0.00 176.35 175.95 1i3g s SER 94 N -1.55 2.29 -1.54 2.29 1.04 -1.10 -1.16 113.70 113.97 1i3g s SER 94 Ca 0.12 -1.45 -0.11 0.00 0.48 0.00 0.00 55.95 55.00 1i3g s SER 94 Cb -0.10 0.09 0.08 0.00 0.10 0.00 0.00 66.02 66.19 1i3g s SER 94 CO 0.04 -0.70 0.75 -1.20 0.98 0.00 0.00 173.24 173.11 1i3g n SER 95 N -0.79 -2.83 -4.71 7.02 7.64 -0.84 -4.87 113.62 114.24 1i3g n SER 95 Ca -0.03 -0.92 -0.39 0.00 1.01 0.00 0.00 58.87 58.54 1i3g n SER 95 Cb 0.66 -3.32 0.03 0.00 -1.01 0.00 0.00 64.21 60.57 1i3g n SER 95 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i3g n LEU 96 N -4.47 4.64 -4.23 -3.43 4.77 -0.84 -4.58 117.00 108.85 1i3g n LEU 96 Ca -0.07 1.00 -0.18 0.00 -0.03 0.00 0.00 56.01 56.74 1i3g n LEU 96 Cb 0.57 -1.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.07 1i3g n LEU 96 CO 0.78 -0.81 -0.07 0.42 -1.33 0.00 0.00 177.39 176.39 1i3g s THR 97 N -1.29 0.00 0.46 -5.08 -4.23 -1.26 0.50 115.64 104.73 1i3g s THR 97 Ca 0.68 -1.91 0.16 0.00 -1.18 0.00 0.00 61.69 59.44 1i3g s THR 97 Cb -0.45 -2.53 0.34 0.00 1.34 0.00 0.00 72.50 71.19 1i3g s THR 97 CO 0.52 0.00 1.99 0.77 -0.54 0.00 0.00 174.62 177.37 1i3g h SER 98 N 2.18 0.28 0.27 3.99 4.64 -1.96 -0.90 113.55 122.05 1i3g h SER 98 Ca -0.27 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1i3g h SER 98 Cb 1.24 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1i3g h SER 98 CO 0.39 0.17 0.00 -0.62 -0.87 0.00 0.00 176.83 175.89 1i3g n GLU 99 N -4.46 0.17 0.00 4.77 1.02 -1.26 -1.55 120.64 119.33 1i3g n GLU 99 Ca 0.09 0.57 0.12 0.00 -0.02 0.00 0.00 57.16 57.92 1i3g n GLU 99 Cb 0.39 -1.95 0.22 0.00 -0.02 0.00 0.00 31.44 30.08 1i3g n GLU 99 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1i3g n ASP 100 N -2.29 1.59 -4.67 1.62 10.43 -0.34 -4.84 116.55 118.04 1i3g n ASP 100 Ca -0.00 -1.26 -0.43 0.00 2.57 0.00 0.00 54.79 55.67 1i3g n ASP 100 Cb 0.11 0.26 -0.02 0.00 1.84 0.00 0.00 41.12 43.30 1i3g n ASP 100 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1i3g s SER 101 N -2.42 6.86 0.02 -2.24 0.01 -0.60 -4.86 113.70 110.46 1i3g s SER 101 Ca 0.23 1.93 -0.20 0.00 1.31 0.00 0.00 55.95 59.22 1i3g s SER 101 Cb 0.19 -2.54 0.07 0.00 0.21 0.00 0.00 66.02 63.94 1i3g s SER 101 CO 0.51 -0.78 0.90 0.00 0.41 0.00 0.00 173.24 174.28 1i3g n ALA 102 N 6.40 -2.50 -2.82 1.44 0.00 -0.88 -4.85 120.51 117.31 1i3g n ALA 102 Ca 0.14 -0.62 -0.35 0.00 0.00 0.00 0.00 53.44 52.61 1i3g n ALA 102 Cb 0.44 0.18 -0.10 0.00 0.00 0.00 0.00 19.45 19.97 1i3g n ALA 102 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1i3g s VAL 103 N -2.08 4.84 -0.18 0.00 1.01 0.85 -1.12 120.40 123.71 1i3g s VAL 103 Ca 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 1i3g s VAL 103 Cb -0.01 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1i3g s VAL 103 CO 0.00 0.43 -0.07 -0.31 0.00 0.00 0.00 175.10 175.15 1i3g s TYR 104 N 0.64 2.93 -0.05 5.22 1.51 -0.57 -0.09 117.35 126.95 1i3g s TYR 104 Ca 0.04 -0.69 0.05 0.00 -1.01 0.00 0.00 57.07 55.47 1i3g s TYR 104 Cb -0.13 -1.99 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 1i3g s TYR 104 CO 0.01 -0.32 -0.21 -0.06 -1.11 0.00 0.00 175.55 173.87 1i3g s PHE 105 N 0.87 2.52 -0.13 2.71 0.08 0.12 -1.71 117.98 122.44 1i3g s PHE 105 Ca -0.02 -0.44 -0.04 0.00 0.12 0.00 0.00 56.93 56.55 1i3g s PHE 105 Cb -0.15 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.67 1i3g s PHE 105 CO 0.01 -0.03 0.02 0.00 -0.10 0.00 0.00 175.22 175.12 1i3g s ALA 107 N -0.20 -0.16 0.25 0.00 0.00 0.52 -1.02 121.76 121.15 1i3g s ALA 107 Ca 0.06 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1i3g s ALA 107 Cb -0.12 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 1i3g s ALA 107 CO 0.02 -0.54 0.14 -0.98 0.00 0.00 0.00 175.76 174.40 1i3g s ARG 108 N -3.89 1.38 -0.14 0.00 1.04 -0.19 -0.38 118.95 116.78 1i3g s ARG 108 Ca 0.08 -1.75 -0.36 0.00 -1.04 0.00 0.00 55.73 52.66 1i3g s ARG 108 Cb 0.05 0.06 -0.13 0.00 -2.04 0.00 0.00 34.95 32.88 1i3g s ARG 108 CO -0.08 -0.40 1.84 1.87 -0.04 0.00 0.00 175.30 178.49 1i3g n TRP 109 N -0.41 2.26 -0.45 5.89 -0.00 -1.26 -2.01 117.44 121.45 1i3g n TRP 109 Ca 0.02 0.13 0.00 0.00 -0.00 0.00 0.00 57.50 57.65 1i3g n TRP 109 Cb 0.66 -2.61 0.00 0.00 -0.00 0.00 0.00 31.31 29.35 1i3g n TRP 109 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1i3g n GLY 137 N 4.34 2.03 2.90 5.87 0.00 -1.26 -5.00 105.19 114.07 1i3g n GLY 137 Ca 0.24 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 1i3g n GLY 137 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i3g s TYR 138 N -3.43 -0.25 0.09 1.61 2.02 -0.85 -5.15 117.35 111.40 1i3g s TYR 138 Ca 0.00 0.69 0.05 0.00 -0.37 0.00 0.00 57.07 57.45 1i3g s TYR 138 Cb 0.00 -0.16 -0.04 0.00 -0.40 0.00 0.00 41.96 41.36 1i3g s TYR 138 CO 0.00 -0.28 -0.03 -1.58 -1.57 0.00 0.00 175.55 172.10 1i3g s TRP 139 N 2.11 2.92 0.96 2.71 0.52 -1.26 -1.02 118.94 125.87 1i3g s TRP 139 Ca 0.00 -0.06 -0.16 0.00 0.02 0.00 0.00 56.10 55.90 1i3g s TRP 139 Cb -0.12 -1.51 0.20 0.00 -1.15 0.00 0.00 33.47 30.89 1i3g s TRP 139 CO -0.07 0.47 1.32 0.20 0.02 0.00 0.00 176.95 178.88 1i3g s GLY 140 N -2.28 1.77 0.50 0.98 0.00 -0.19 -4.73 107.32 103.37 1i3g s GLY 140 Ca 0.24 -1.18 0.29 0.00 0.00 0.00 0.00 44.72 44.08 1i3g s GLY 140 CO 0.17 -0.42 1.84 1.46 0.00 0.00 0.00 173.10 176.15 1i3g h GLN 141 N -1.63 0.00 0.00 2.90 1.08 -1.88 -3.45 115.11 112.12 1i3g h GLN 141 Ca -0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.76 1i3g h GLN 141 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1i3g h GLN 141 CO 0.39 0.02 0.00 0.41 -0.95 0.00 0.00 178.83 178.70 1i3g n GLY 142 N 0.43 0.67 2.91 3.46 0.00 -1.26 -5.01 105.19 106.38 1i3g n GLY 142 Ca 0.02 -1.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 1i3g n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i3g s THR 143 N -3.00 0.78 -0.46 2.61 2.01 -0.69 -4.49 115.64 112.41 1i3g s THR 143 Ca 0.00 -0.22 -0.26 0.00 0.31 0.00 0.00 61.69 61.52 1i3g s THR 143 Cb 0.00 -0.79 0.03 0.00 0.01 0.00 0.00 72.50 71.75 1i3g s THR 143 CO 0.00 0.30 0.94 -0.22 -0.69 0.00 0.00 174.62 174.95 1i3g s LEU 144 N 1.18 3.98 -0.29 4.42 2.96 -0.51 -1.51 118.68 128.91 1i3g s LEU 144 Ca -0.06 0.17 -0.16 0.00 -0.22 0.00 0.00 54.13 53.86 1i3g s LEU 144 Cb -0.14 -3.23 -0.03 0.00 0.50 0.00 0.00 46.19 43.30 1i3g s LEU 144 CO -0.02 -1.06 0.42 -0.69 -1.32 0.00 0.00 176.35 173.69 1i3g s VAL 145 N 3.80 5.12 -0.22 1.68 1.01 -0.27 -0.77 120.40 130.75 1i3g s VAL 145 Ca 0.38 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1i3g s VAL 145 Cb -0.10 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.52 1i3g s VAL 145 CO 0.26 0.05 -0.13 -0.89 0.00 0.00 0.00 175.10 174.39 1i3g s THR 146 N 2.17 2.38 -0.40 3.92 2.01 0.04 -2.07 115.64 123.70 1i3g s THR 146 Ca 0.16 -1.08 -0.20 0.00 0.31 0.00 0.00 61.69 60.88 1i3g s THR 146 Cb -0.16 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.22 1i3g s THR 146 CO 0.11 0.32 0.62 -0.69 -0.69 0.00 0.00 174.62 174.29 1i3g s VAL 147 N 1.27 4.88 0.00 3.82 1.01 -1.26 -0.64 120.40 129.48 1i3g s VAL 147 Ca 0.01 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1i3g s VAL 147 Cb -0.16 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1i3g s VAL 147 CO -0.08 -0.44 0.00 -1.54 0.00 0.00 0.00 175.10 173.03